NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26277 | 2khd | 16238 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -13.074 -6.308 27.751 2 H2 MET 1 2H MET 1 -11.381 -6.311 27.899 3 H3 MET 1 3H MET 1 -12.102 -6.283 26.361 4 HA MET 1 HA MET 1 -11.900 -4.086 26.399 5 HB2 MET 1 1HB MET 1 -13.935 -4.463 28.616 6 HB3 MET 1 2HB MET 1 -13.552 -2.895 27.903 7 HG2 MET 1 1HG MET 1 -14.213 -3.708 25.688 8 HG3 MET 1 2HG MET 1 -14.527 -5.310 26.350 9 HE1 MET 1 3HE MET 1 -15.123 -1.697 26.391 10 HE2 MET 1 1HE MET 1 -15.584 -1.699 28.097 11 HE3 MET 1 2HE MET 1 -16.799 -1.423 26.853 12 H SER 2 H SER 2 -10.289 -5.764 28.417 13 HA SER 2 HA SER 2 -9.746 -4.168 30.723 14 HB2 SER 2 1HB SER 2 -9.054 -6.521 30.562 15 HB3 SER 2 2HB SER 2 -7.940 -6.119 29.257 16 HG SER 2 HG SER 2 -6.687 -6.000 31.016 17 H ASN 3 H ASN 3 -8.240 -2.608 31.111 18 HA ASN 3 HA ASN 3 -7.520 -0.836 28.981 19 HB2 ASN 3 1HB ASN 3 -6.669 -1.057 31.881 20 HB3 ASN 3 2HB ASN 3 -6.008 0.184 30.817 21 HD21 ASN 3 2HD2 ASN 3 -9.093 -0.401 29.685 22 HD22 ASN 3 1HD2 ASN 3 -9.932 0.797 30.543 23 H GLN 4 H GLN 4 -5.694 -3.288 30.777 24 HA GLN 4 HA GLN 4 -3.217 -2.723 29.317 25 HB2 GLN 4 1HB GLN 4 -2.325 -4.658 30.582 26 HB3 GLN 4 2HB GLN 4 -3.114 -3.494 31.645 27 HG2 GLN 4 1HG GLN 4 -5.173 -4.875 31.615 28 HG3 GLN 4 2HG GLN 4 -4.358 -6.052 30.584 29 HE21 GLN 4 2HE2 GLN 4 -4.799 -7.579 32.474 30 HE22 GLN 4 1HE2 GLN 4 -3.702 -7.589 33.770 31 H THR 5 H THR 5 -2.335 -3.926 27.696 32 HA THR 5 HA THR 5 -4.164 -5.479 26.046 33 HB THR 5 HB THR 5 -2.270 -5.618 24.485 34 HG1 THR 5 HG1 THR 5 -0.553 -4.081 25.898 35 HG21 THR 5 3HG2 THR 5 -3.576 -3.536 24.546 36 HG22 THR 5 1HG2 THR 5 -1.886 -3.200 24.172 37 HG23 THR 5 2HG2 THR 5 -2.508 -2.895 25.794 38 H CYS 6 H CYS 6 -3.496 -7.612 25.175 39 HA CYS 6 HA CYS 6 -1.638 -9.343 26.450 40 HB2 CYS 6 1HB CYS 6 -3.401 -10.780 27.661 41 HB3 CYS 6 2HB CYS 6 -2.889 -9.292 28.454 42 HG CYS 6 HG CYS 6 -5.123 -8.194 27.876 43 H VAL 7 H VAL 7 -1.672 -9.431 24.014 44 HA VAL 7 HA VAL 7 -3.831 -11.049 22.805 45 HB VAL 7 HB VAL 7 -2.626 -10.697 20.703 46 HG11 VAL 7 1HG1 VAL 7 -2.785 -8.195 22.413 47 HG12 VAL 7 2HG1 VAL 7 -4.103 -8.900 21.478 48 HG13 VAL 7 3HG1 VAL 7 -2.705 -8.215 20.651 49 HG21 VAL 7 3HG2 VAL 7 -0.493 -9.593 22.545 50 HG22 VAL 7 1HG2 VAL 7 -0.558 -9.162 20.836 51 HG23 VAL 7 2HG2 VAL 7 -0.330 -10.843 21.312 52 H GLU 8 H GLU 8 -3.732 -13.178 22.576 53 HA GLU 8 HA GLU 8 -1.320 -14.643 23.466 54 HB2 GLU 8 1HB GLU 8 -3.580 -15.305 24.282 55 HB3 GLU 8 2HB GLU 8 -4.042 -15.700 22.626 56 HG2 GLU 8 1HG GLU 8 -2.225 -17.364 22.507 57 HG3 GLU 8 2HG GLU 8 -1.743 -16.959 24.154 58 H ASN 9 H ASN 9 0.173 -15.020 21.987 59 HA ASN 9 HA ASN 9 -0.553 -15.347 19.116 60 HB2 ASN 9 1HB ASN 9 1.296 -13.803 19.703 61 HB3 ASN 9 2HB ASN 9 2.166 -15.137 20.465 62 HD21 ASN 9 2HD2 ASN 9 3.449 -13.873 18.353 63 HD22 ASN 9 1HD2 ASN 9 3.437 -14.863 16.974 64 H GLU 10 H GLU 10 1.826 -16.930 21.265 65 HA GLU 10 HA GLU 10 2.632 -19.142 21.216 66 HB2 GLU 10 1HB GLU 10 -0.375 -19.509 21.291 67 HB3 GLU 10 2HB GLU 10 0.781 -20.810 21.577 68 HG2 GLU 10 1HG GLU 10 1.738 -19.597 23.469 69 HG3 GLU 10 2HG GLU 10 0.662 -18.232 23.167 70 H VAL 11 H VAL 11 0.236 -20.906 19.895 71 HA VAL 11 HA VAL 11 1.743 -21.413 17.458 72 HB VAL 11 HB VAL 11 0.021 -23.149 17.059 73 HG11 VAL 11 1HG1 VAL 11 0.980 -23.087 19.936 74 HG12 VAL 11 2HG1 VAL 11 1.966 -23.578 18.559 75 HG13 VAL 11 3HG1 VAL 11 0.546 -24.522 19.008 76 HG21 VAL 11 3HG2 VAL 11 -1.237 -21.977 19.563 77 HG22 VAL 11 1HG2 VAL 11 -1.723 -23.496 18.810 78 HG23 VAL 11 2HG2 VAL 11 -1.937 -21.975 17.944 79 H CYS 12 H CYS 12 1.184 -20.920 15.412 80 HA CYS 12 HA CYS 12 -1.402 -19.586 14.841 81 HB2 CYS 12 1HB CYS 12 -0.114 -17.794 13.560 82 HB3 CYS 12 2HB CYS 12 -0.063 -17.667 15.316 83 HG CYS 12 HG CYS 12 2.379 -17.550 14.003 84 H GLU 13 H GLU 13 -1.871 -19.520 12.605 85 HA GLU 13 HA GLU 13 -2.146 -20.688 10.593 86 HB2 GLU 13 1HB GLU 13 0.803 -20.014 10.600 87 HB3 GLU 13 2HB GLU 13 -0.061 -20.611 9.183 88 HG2 GLU 13 1HG GLU 13 -1.599 -18.704 9.280 89 HG3 GLU 13 2HG GLU 13 -0.803 -18.114 10.738 90 H ALA 14 H ALA 14 -0.568 -22.336 9.152 91 HA ALA 14 HA ALA 14 0.052 -24.562 8.908 92 HB1 ALA 14 3HB ALA 14 1.506 -25.502 10.542 93 HB2 ALA 14 1HB ALA 14 0.855 -24.475 11.818 94 HB3 ALA 14 2HB ALA 14 1.837 -23.770 10.534 95 H CYS 15 H CYS 15 -1.115 -26.374 8.906 96 HA CYS 15 HA CYS 15 -2.986 -27.740 9.291 97 HB2 CYS 15 1HB CYS 15 -2.107 -27.397 12.170 98 HB3 CYS 15 2HB CYS 15 -2.974 -28.768 11.476 99 HG CYS 15 HG CYS 15 -0.320 -28.323 10.059 100 H GLY 16 H GLY 16 -3.202 -24.679 9.687 101 HA2 GLY 16 1HA GLY 16 -5.451 -24.416 11.562 102 HA3 GLY 16 2HA GLY 16 -4.755 -23.127 10.578 103 H CYS 17 H CYS 17 -5.111 -25.542 8.464 104 HA CYS 17 HA CYS 17 -6.526 -25.760 6.602 105 HB2 CYS 17 1HB CYS 17 -8.645 -25.824 8.767 106 HB3 CYS 17 2HB CYS 17 -8.728 -26.573 7.172 107 HG CYS 17 HG CYS 17 -6.474 -27.513 9.106 108 H ALA 18 H ALA 18 -6.026 -23.008 7.640 109 HA ALA 18 HA ALA 18 -8.402 -21.424 7.416 110 HB1 ALA 18 3HB ALA 18 -6.458 -20.451 8.444 111 HB2 ALA 18 1HB ALA 18 -6.751 -19.549 6.958 112 HB3 ALA 18 2HB ALA 18 -5.471 -20.761 7.016 113 H GLY 19 H GLY 19 -9.606 -21.824 5.637 114 HA2 GLY 19 1HA GLY 19 -10.294 -21.372 3.435 115 HA3 GLY 19 2HA GLY 19 -8.687 -20.736 3.092 116 H GLU 20 H GLU 20 -9.656 -22.158 1.131 117 HA GLU 20 HA GLU 20 -7.952 -24.552 1.065 118 HB2 GLU 20 1HB GLU 20 -10.161 -25.351 1.991 119 HB3 GLU 20 2HB GLU 20 -10.926 -24.799 0.500 120 HG2 GLU 20 1HG GLU 20 -10.460 -27.152 0.241 121 HG3 GLU 20 2HG GLU 20 -9.315 -26.278 -0.773 122 H ILE 21 H ILE 21 -10.246 -22.380 -0.509 123 HA ILE 21 HA ILE 21 -9.386 -23.193 -3.210 124 HB ILE 21 HB ILE 21 -11.004 -21.460 -3.967 125 HG12 ILE 21 1HG1 ILE 21 -11.590 -21.108 -1.006 126 HG13 ILE 21 2HG1 ILE 21 -10.703 -19.939 -1.981 127 HG21 ILE 21 1HG2 ILE 21 -11.686 -23.811 -3.465 128 HG22 ILE 21 2HG2 ILE 21 -12.992 -22.649 -3.229 129 HG23 ILE 21 3HG2 ILE 21 -12.128 -23.299 -1.836 130 HD11 ILE 21 3HD1 ILE 21 -12.695 -19.819 -3.521 131 HD12 ILE 21 1HD1 ILE 21 -13.010 -19.222 -1.892 132 HD13 ILE 21 2HD1 ILE 21 -13.575 -20.823 -2.368 133 H GLY 22 H GLY 22 -8.078 -22.053 -4.526 134 HA2 GLY 22 1HA GLY 22 -6.358 -20.015 -3.309 135 HA3 GLY 22 2HA GLY 22 -6.141 -20.750 -4.897 136 H PHE 23 H PHE 23 -6.562 -17.903 -3.599 137 HA PHE 23 HA PHE 23 -7.940 -16.793 -5.982 138 HB2 PHE 23 1HB PHE 23 -9.740 -17.064 -4.324 139 HB3 PHE 23 2HB PHE 23 -8.786 -16.190 -3.124 140 HD1 PHE 23 HD1 PHE 23 -10.432 -15.877 -6.449 141 HD2 PHE 23 HD2 PHE 23 -8.732 -13.807 -3.090 142 HE1 PHE 23 HE1 PHE 23 -11.291 -13.727 -7.338 143 HE2 PHE 23 HE2 PHE 23 -9.592 -11.658 -3.980 144 HZ PHE 23 HZ PHE 23 -10.871 -11.618 -6.104 145 H ILE 24 H ILE 24 -6.043 -16.329 -3.046 146 HA ILE 24 HA ILE 24 -5.290 -13.583 -3.706 147 HB ILE 24 HB ILE 24 -3.618 -13.992 -1.783 148 HG12 ILE 24 1HG1 ILE 24 -5.342 -16.453 -1.379 149 HG13 ILE 24 2HG1 ILE 24 -3.729 -16.521 -2.089 150 HG21 ILE 24 1HG2 ILE 24 -5.406 -13.828 -0.103 151 HG22 ILE 24 2HG2 ILE 24 -6.582 -14.376 -1.298 152 HG23 ILE 24 3HG2 ILE 24 -5.761 -12.830 -1.512 153 HD11 ILE 24 3HD1 ILE 24 -2.752 -15.562 -0.076 154 HD12 ILE 24 1HD1 ILE 24 -3.735 -16.954 0.380 155 HD13 ILE 24 2HD1 ILE 24 -4.352 -15.320 0.626 156 H ILE 25 H ILE 25 -3.005 -12.968 -3.923 157 HA ILE 25 HA ILE 25 -1.779 -14.425 -6.077 158 HB ILE 25 HB ILE 25 -0.765 -12.080 -4.445 159 HG12 ILE 25 1HG1 ILE 25 -1.915 -12.142 -7.251 160 HG13 ILE 25 2HG1 ILE 25 -2.888 -11.794 -5.821 161 HG21 ILE 25 1HG2 ILE 25 0.695 -11.784 -6.546 162 HG22 ILE 25 2HG2 ILE 25 0.286 -13.458 -6.924 163 HG23 ILE 25 3HG2 ILE 25 1.154 -13.076 -5.436 164 HD11 ILE 25 3HD1 ILE 25 -2.135 -9.698 -6.843 165 HD12 ILE 25 1HD1 ILE 25 -0.457 -10.233 -6.747 166 HD13 ILE 25 2HD1 ILE 25 -1.365 -9.908 -5.270 167 H ARG 26 H ARG 26 -0.185 -15.869 -6.031 168 HA ARG 26 HA ARG 26 0.533 -17.300 -3.718 169 HB2 ARG 26 1HB ARG 26 0.805 -18.150 -6.029 170 HB3 ARG 26 2HB ARG 26 2.126 -17.010 -6.287 171 HG2 ARG 26 1HG ARG 26 3.445 -18.061 -4.538 172 HG3 ARG 26 2HG ARG 26 2.099 -19.117 -4.109 173 HD2 ARG 26 1HD ARG 26 3.690 -20.349 -5.503 174 HD3 ARG 26 2HD ARG 26 2.184 -20.107 -6.388 175 HE ARG 26 HE ARG 26 3.318 -18.629 -7.866 176 HH11 ARG 26 1HH2 ARG 26 5.257 -19.509 -5.126 177 HH12 ARG 26 2HH2 ARG 26 6.709 -18.841 -5.794 178 HH21 ARG 26 1HH1 ARG 26 5.203 -17.770 -8.724 179 HH22 ARG 26 2HH1 ARG 26 6.678 -17.860 -7.821 180 H GLU 27 H GLU 27 1.981 -17.003 -2.163 181 HA GLU 27 HA GLU 27 3.338 -14.496 -1.834 182 HB2 GLU 27 1HB GLU 27 4.336 -15.555 0.170 183 HB3 GLU 27 2HB GLU 27 2.598 -15.834 0.091 184 HG2 GLU 27 1HG GLU 27 3.015 -18.071 -0.902 185 HG3 GLU 27 2HG GLU 27 4.752 -17.793 -0.770 186 H GLY 28 H GLY 28 5.474 -13.975 -2.027 187 HA2 GLY 28 1HA GLY 28 7.608 -15.791 -2.571 188 HA3 GLY 28 2HA GLY 28 7.005 -15.150 -4.098 189 H ASP 29 H ASP 29 9.503 -14.517 -3.628 190 HA ASP 29 HA ASP 29 9.991 -12.185 -2.018 191 HB2 ASP 29 1HB ASP 29 12.102 -12.019 -3.372 192 HB3 ASP 29 2HB ASP 29 11.844 -13.611 -2.667 193 H ASP 30 H ASP 30 8.589 -12.662 -5.136 194 HA ASP 30 HA ASP 30 8.996 -9.844 -5.966 195 HB2 ASP 30 1HB ASP 30 7.506 -12.145 -7.283 196 HB3 ASP 30 2HB ASP 30 7.733 -10.547 -7.997 197 H VAL 31 H VAL 31 7.135 -11.176 -3.727 198 HA VAL 31 HA VAL 31 4.768 -9.425 -4.343 199 HB VAL 31 HB VAL 31 4.842 -12.164 -3.054 200 HG11 VAL 31 1HG1 VAL 31 3.355 -10.897 -1.675 201 HG12 VAL 31 2HG1 VAL 31 2.320 -11.736 -2.829 202 HG13 VAL 31 3HG1 VAL 31 2.696 -10.029 -3.062 203 HG21 VAL 31 3HG2 VAL 31 3.416 -12.785 -4.874 204 HG22 VAL 31 1HG2 VAL 31 4.729 -11.851 -5.591 205 HG23 VAL 31 2HG2 VAL 31 3.154 -11.102 -5.330 206 H ALA 32 H ALA 32 4.194 -8.039 -2.802 207 HA ALA 32 HA ALA 32 5.544 -8.201 -0.121 208 HB1 ALA 32 3HB ALA 32 5.027 -5.806 -1.899 209 HB2 ALA 32 1HB ALA 32 6.575 -6.388 -1.286 210 HB3 ALA 32 2HB ALA 32 5.407 -5.663 -0.182 211 H GLU 33 H GLU 33 4.331 -7.572 1.637 212 HA GLU 33 HA GLU 33 1.373 -7.493 1.208 213 HB2 GLU 33 1HB GLU 33 3.056 -8.274 3.607 214 HB3 GLU 33 2HB GLU 33 1.298 -8.115 3.654 215 HG2 GLU 33 1HG GLU 33 1.067 -9.802 1.897 216 HG3 GLU 33 2HG GLU 33 2.819 -9.934 1.762 217 H VAL 34 H VAL 34 0.160 -5.876 2.033 218 HA VAL 34 HA VAL 34 1.567 -3.605 3.407 219 HB VAL 34 HB VAL 34 -0.499 -3.522 1.189 220 HG11 VAL 34 1HG1 VAL 34 -1.199 -1.842 2.725 221 HG12 VAL 34 2HG1 VAL 34 -0.213 -0.989 1.539 222 HG13 VAL 34 3HG1 VAL 34 0.462 -1.398 3.115 223 HG21 VAL 34 3HG2 VAL 34 2.301 -2.384 1.478 224 HG22 VAL 34 1HG2 VAL 34 1.255 -2.174 0.074 225 HG23 VAL 34 2HG2 VAL 34 1.857 -3.778 0.494 226 H SER 35 H SER 35 0.622 -2.930 5.211 227 HA SER 35 HA SER 35 -2.191 -3.797 5.812 228 HB2 SER 35 1HB SER 35 -0.573 -5.156 7.083 229 HB3 SER 35 2HB SER 35 0.156 -3.689 7.732 230 HG SER 35 HG SER 35 -2.110 -3.218 8.427 231 H LEU 36 H LEU 36 -3.352 -2.015 5.746 232 HA LEU 36 HA LEU 36 -2.325 0.452 7.112 233 HB2 LEU 36 1HB LEU 36 -2.509 0.700 4.626 234 HB3 LEU 36 2HB LEU 36 -4.227 0.322 4.748 235 HG LEU 36 HG LEU 36 -4.532 2.276 6.261 236 HD11 LEU 36 1HD1 LEU 36 -2.466 3.945 6.078 237 HD12 LEU 36 2HD1 LEU 36 -1.557 2.446 5.890 238 HD13 LEU 36 3HD1 LEU 36 -2.524 2.718 7.338 239 HD21 LEU 36 3HD2 LEU 36 -4.797 2.463 3.765 240 HD22 LEU 36 1HD2 LEU 36 -3.134 3.044 3.679 241 HD23 LEU 36 2HD2 LEU 36 -4.352 3.979 4.545 242 H PHE 37 H PHE 37 -3.767 1.561 8.384 243 HA PHE 37 HA PHE 37 -6.508 0.470 8.746 244 HB2 PHE 37 1HB PHE 37 -6.173 0.482 11.216 245 HB3 PHE 37 2HB PHE 37 -5.174 -0.717 10.397 246 HD1 PHE 37 HD1 PHE 37 -5.175 2.586 12.073 247 HD2 PHE 37 HD2 PHE 37 -2.765 -0.499 10.302 248 HE1 PHE 37 HE1 PHE 37 -3.138 3.620 13.040 249 HE2 PHE 37 HE2 PHE 37 -0.729 0.537 11.269 250 HZ PHE 37 HZ PHE 37 -0.916 2.597 12.637 251 H GLY 38 H GLY 38 -7.929 1.900 9.830 252 HA2 GLY 38 1HA GLY 38 -7.108 4.581 10.595 253 HA3 GLY 38 2HA GLY 38 -7.896 4.556 9.019 254 H SER 39 H SER 39 -9.606 5.809 9.915 255 HA SER 39 HA SER 39 -11.195 5.077 12.171 256 HB2 SER 39 1HB SER 39 -12.890 6.619 11.198 257 HB3 SER 39 2HB SER 39 -11.282 7.332 11.208 258 HG SER 39 HG SER 39 -12.580 6.065 9.013 259 H ASP 40 H ASP 40 -11.543 4.338 8.714 260 HA ASP 40 HA ASP 40 -12.887 1.850 9.241 261 HB2 ASP 40 1HB ASP 40 -15.100 2.369 8.387 262 HB3 ASP 40 2HB ASP 40 -14.755 3.415 9.761 263 H LYS 41 H LYS 41 -14.247 1.450 6.930 264 HA LYS 41 HA LYS 41 -12.191 0.985 5.035 265 HB2 LYS 41 1HB LYS 41 -14.296 -0.312 5.126 266 HB3 LYS 41 2HB LYS 41 -15.198 1.107 4.597 267 HG2 LYS 41 1HG LYS 41 -14.792 -0.331 2.675 268 HG3 LYS 41 2HG LYS 41 -13.828 1.127 2.494 269 HD2 LYS 41 1HD LYS 41 -11.815 0.034 3.046 270 HD3 LYS 41 2HD LYS 41 -12.649 -1.316 3.818 271 HE2 LYS 41 1HE LYS 41 -11.783 -2.041 1.675 272 HE3 LYS 41 2HE LYS 41 -13.539 -1.961 1.570 273 HZ1 LYS 41 3HZ LYS 41 -12.113 -0.909 -0.281 274 HZ2 LYS 41 1HZ LYS 41 -11.908 0.370 0.813 275 HZ3 LYS 41 2HZ LYS 41 -13.467 -0.062 0.296 276 H ALA 42 H ALA 42 -14.747 3.448 5.124 277 HA ALA 42 HA ALA 42 -14.373 4.713 2.668 278 HB1 ALA 42 3HB ALA 42 -16.147 5.398 4.173 279 HB2 ALA 42 1HB ALA 42 -15.136 6.806 3.848 280 HB3 ALA 42 2HB ALA 42 -14.978 5.941 5.377 281 H HIS 43 H HIS 43 -12.682 5.529 5.713 282 HA HIS 43 HA HIS 43 -10.963 7.502 4.521 283 HB2 HIS 43 1HB HIS 43 -10.800 5.899 7.089 284 HB3 HIS 43 2HB HIS 43 -9.572 7.085 6.642 285 HD1 HIS 43 HD1 HIS 43 -10.025 9.359 7.532 286 HD2 HIS 43 HD2 HIS 43 -13.562 7.247 6.897 287 HE1 HIS 43 HE1 HIS 43 -11.912 10.879 8.272 288 H LEU 44 H LEU 44 -10.596 4.020 5.089 289 HA LEU 44 HA LEU 44 -7.824 3.839 4.421 290 HB2 LEU 44 1HB LEU 44 -10.119 1.863 4.322 291 HB3 LEU 44 2HB LEU 44 -8.497 1.400 3.805 292 HG LEU 44 HG LEU 44 -8.888 2.729 6.488 293 HD11 LEU 44 1HD1 LEU 44 -10.438 0.917 6.642 294 HD12 LEU 44 2HD1 LEU 44 -8.958 0.352 7.416 295 HD13 LEU 44 3HD1 LEU 44 -9.355 -0.175 5.781 296 HD21 LEU 44 3HD2 LEU 44 -6.755 1.937 6.933 297 HD22 LEU 44 1HD2 LEU 44 -6.613 2.092 5.188 298 HD23 LEU 44 2HD2 LEU 44 -6.933 0.522 5.903 299 H GLU 45 H GLU 45 -10.759 3.655 2.461 300 HA GLU 45 HA GLU 45 -9.540 2.938 -0.016 301 HB2 GLU 45 1HB GLU 45 -12.046 4.531 0.616 302 HB3 GLU 45 2HB GLU 45 -11.590 4.069 -1.024 303 HG2 GLU 45 1HG GLU 45 -11.614 1.700 -0.391 304 HG3 GLU 45 2HG GLU 45 -12.005 2.131 1.272 305 H GLY 46 H GLY 46 -10.189 6.086 1.481 306 HA2 GLY 46 1HA GLY 46 -9.257 7.723 -0.681 307 HA3 GLY 46 2HA GLY 46 -9.363 8.223 1.007 308 H LYS 47 H LYS 47 -7.631 6.549 2.267 309 HA LYS 47 HA LYS 47 -5.058 7.689 1.656 310 HB2 LYS 47 1HB LYS 47 -5.889 5.386 3.449 311 HB3 LYS 47 2HB LYS 47 -4.232 5.978 3.342 312 HG2 LYS 47 1HG LYS 47 -4.975 8.219 4.039 313 HG3 LYS 47 2HG LYS 47 -6.641 7.644 4.135 314 HD2 LYS 47 1HD LYS 47 -6.024 6.046 5.881 315 HD3 LYS 47 2HD LYS 47 -4.330 6.517 5.747 316 HE2 LYS 47 1HE LYS 47 -5.359 7.652 7.659 317 HE3 LYS 47 2HE LYS 47 -4.945 8.832 6.414 318 HZ1 LYS 47 3HZ LYS 47 -7.567 7.707 6.094 319 HZ2 LYS 47 1HZ LYS 47 -7.077 9.331 6.088 320 HZ3 LYS 47 2HZ LYS 47 -7.381 8.542 7.562 321 H LEU 48 H LEU 48 -6.642 4.657 0.907 322 HA LEU 48 HA LEU 48 -4.431 3.155 -0.005 323 HB2 LEU 48 1HB LEU 48 -6.676 2.179 0.330 324 HB3 LEU 48 2HB LEU 48 -7.305 3.133 -1.013 325 HG LEU 48 HG LEU 48 -5.758 1.980 -2.560 326 HD11 LEU 48 1HD1 LEU 48 -4.789 0.777 0.022 327 HD12 LEU 48 2HD1 LEU 48 -3.861 1.366 -1.358 328 HD13 LEU 48 3HD1 LEU 48 -4.690 -0.182 -1.455 329 HD21 LEU 48 3HD2 LEU 48 -6.788 -0.278 -2.422 330 HD22 LEU 48 1HD2 LEU 48 -7.975 1.014 -2.239 331 HD23 LEU 48 2HD2 LEU 48 -7.410 0.129 -0.823 332 H ALA 49 H ALA 49 -6.492 5.494 -1.690 333 HA ALA 49 HA ALA 49 -5.550 5.143 -4.331 334 HB1 ALA 49 3HB ALA 49 -6.482 7.629 -2.859 335 HB2 ALA 49 1HB ALA 49 -7.424 6.604 -3.943 336 HB3 ALA 49 2HB ALA 49 -6.132 7.614 -4.588 337 H GLU 50 H GLU 50 -4.214 7.054 -1.657 338 HA GLU 50 HA GLU 50 -2.073 8.253 -3.171 339 HB2 GLU 50 1HB GLU 50 -2.405 7.726 -0.196 340 HB3 GLU 50 2HB GLU 50 -1.072 8.655 -0.884 341 HG2 GLU 50 1HG GLU 50 -2.647 10.257 -1.857 342 HG3 GLU 50 2HG GLU 50 -4.010 9.310 -1.261 343 H TYR 51 H TYR 51 -2.347 5.310 -1.217 344 HA TYR 51 HA TYR 51 0.385 4.524 -1.220 345 HB2 TYR 51 1HB TYR 51 -2.240 3.044 -1.014 346 HB3 TYR 51 2HB TYR 51 -0.746 2.119 -1.154 347 HD1 TYR 51 HD1 TYR 51 -1.535 5.341 0.629 348 HD2 TYR 51 HD2 TYR 51 -0.214 1.266 0.956 349 HE1 TYR 51 HE1 TYR 51 -1.079 5.686 3.029 350 HE2 TYR 51 HE2 TYR 51 0.238 1.612 3.366 351 HH TYR 51 HH TYR 51 0.532 3.232 4.963 352 H ILE 52 H ILE 52 -2.204 3.959 -3.558 353 HA ILE 52 HA ILE 52 -0.750 2.230 -5.312 354 HB ILE 52 HB ILE 52 -3.062 4.135 -5.832 355 HG12 ILE 52 1HG1 ILE 52 -3.020 1.110 -5.610 356 HG13 ILE 52 2HG1 ILE 52 -3.370 2.169 -4.244 357 HG21 ILE 52 1HG2 ILE 52 -3.362 2.583 -7.874 358 HG22 ILE 52 2HG2 ILE 52 -1.686 2.107 -7.602 359 HG23 ILE 52 3HG2 ILE 52 -2.078 3.788 -7.965 360 HD11 ILE 52 3HD1 ILE 52 -5.240 3.179 -5.554 361 HD12 ILE 52 1HD1 ILE 52 -5.469 1.454 -5.270 362 HD13 ILE 52 2HD1 ILE 52 -4.922 2.024 -6.847 363 H SER 53 H SER 53 -1.162 5.754 -5.214 364 HA SER 53 HA SER 53 0.118 6.484 -7.607 365 HB2 SER 53 1HB SER 53 0.315 7.891 -4.919 366 HB3 SER 53 2HB SER 53 0.628 8.624 -6.489 367 HG SER 53 HG SER 53 -1.822 7.361 -5.834 368 H LEU 54 H LEU 54 1.561 5.886 -4.416 369 HA LEU 54 HA LEU 54 4.278 6.356 -5.207 370 HB2 LEU 54 1HB LEU 54 2.924 4.933 -2.918 371 HB3 LEU 54 2HB LEU 54 4.660 4.741 -3.124 372 HG LEU 54 HG LEU 54 3.973 6.641 -1.586 373 HD11 LEU 54 1HD1 LEU 54 5.805 7.908 -2.216 374 HD12 LEU 54 2HD1 LEU 54 5.402 7.873 -3.925 375 HD13 LEU 54 3HD1 LEU 54 6.136 6.466 -3.164 376 HD21 LEU 54 3HD2 LEU 54 2.021 7.268 -3.193 377 HD22 LEU 54 1HD2 LEU 54 3.246 8.139 -4.110 378 HD23 LEU 54 2HD2 LEU 54 2.918 8.577 -2.436 379 H ALA 55 H ALA 55 2.258 3.470 -5.138 380 HA ALA 55 HA ALA 55 4.238 1.533 -5.743 381 HB1 ALA 55 3HB ALA 55 2.420 0.104 -6.387 382 HB2 ALA 55 1HB ALA 55 1.388 1.480 -6.780 383 HB3 ALA 55 2HB ALA 55 1.798 1.134 -5.100 384 H LYS 56 H LYS 56 2.119 3.366 -7.955 385 HA LYS 56 HA LYS 56 3.234 2.310 -10.376 386 HB2 LYS 56 1HB LYS 56 1.751 4.882 -9.763 387 HB3 LYS 56 2HB LYS 56 2.238 4.427 -11.396 388 HG2 LYS 56 1HG LYS 56 0.970 2.318 -11.188 389 HG3 LYS 56 2HG LYS 56 0.472 2.780 -9.560 390 HD2 LYS 56 1HD LYS 56 -0.716 4.721 -10.419 391 HD3 LYS 56 2HD LYS 56 -0.119 4.408 -12.049 392 HE2 LYS 56 1HE LYS 56 -2.416 3.580 -11.827 393 HE3 LYS 56 2HE LYS 56 -1.306 2.228 -12.047 394 HZ1 LYS 56 3HZ LYS 56 -1.251 2.141 -9.524 395 HZ2 LYS 56 1HZ LYS 56 -2.667 1.598 -10.284 396 HZ3 LYS 56 2HZ LYS 56 -2.628 3.137 -9.565 397 H GLN 57 H GLN 57 4.003 5.137 -8.398 398 HA GLN 57 HA GLN 57 5.909 6.340 -10.144 399 HB2 GLN 57 1HB GLN 57 4.964 7.458 -8.130 400 HB3 GLN 57 2HB GLN 57 5.857 6.336 -7.101 401 HG2 GLN 57 1HG GLN 57 7.980 7.149 -7.985 402 HG3 GLN 57 2HG GLN 57 7.136 8.195 -9.126 403 HE21 GLN 57 2HE2 GLN 57 7.089 10.322 -8.413 404 HE22 GLN 57 1HE2 GLN 57 6.995 10.812 -6.790 405 H VAL 58 H VAL 58 6.350 4.070 -7.432 406 HA VAL 58 HA VAL 58 9.189 3.785 -7.746 407 HB VAL 58 HB VAL 58 7.103 1.993 -6.459 408 HG11 VAL 58 1HG1 VAL 58 10.121 1.801 -6.554 409 HG12 VAL 58 2HG1 VAL 58 8.942 0.554 -6.960 410 HG13 VAL 58 3HG1 VAL 58 9.170 1.039 -5.279 411 HG21 VAL 58 3HG2 VAL 58 7.469 4.258 -5.470 412 HG22 VAL 58 1HG2 VAL 58 9.178 3.869 -5.288 413 HG23 VAL 58 2HG2 VAL 58 7.969 2.961 -4.383 414 H TYR 59 H TYR 59 6.436 1.840 -8.910 415 HA TYR 59 HA TYR 59 8.255 0.664 -10.981 416 HB2 TYR 59 1HB TYR 59 7.910 -0.925 -9.057 417 HB3 TYR 59 2HB TYR 59 6.189 -0.937 -9.451 418 HD1 TYR 59 HD2 TYR 59 9.562 -1.896 -10.579 419 HD2 TYR 59 HD1 TYR 59 5.371 -1.963 -11.508 420 HE1 TYR 59 HE2 TYR 59 9.985 -3.571 -12.359 421 HE2 TYR 59 HE1 TYR 59 5.791 -3.638 -13.288 422 HH TYR 59 HH TYR 59 8.696 -4.231 -14.602 423 H ALA 60 H ALA 60 7.456 0.941 -12.919 424 HA ALA 60 HA ALA 60 4.846 2.071 -13.407 425 HB1 ALA 60 3HB ALA 60 6.585 2.691 -14.910 426 HB2 ALA 60 1HB ALA 60 5.520 1.644 -15.847 427 HB3 ALA 60 2HB ALA 60 7.038 1.013 -15.205 428 H ASN 61 H ASN 61 3.050 1.139 -14.314 429 HA ASN 61 HA ASN 61 1.464 -0.527 -14.710 430 HB2 ASN 61 1HB ASN 61 3.935 -1.962 -15.726 431 HB3 ASN 61 2HB ASN 61 2.282 -2.505 -15.989 432 HD21 ASN 61 2HD2 ASN 61 1.456 0.488 -16.172 433 HD22 ASN 61 1HD2 ASN 61 1.898 0.924 -17.751 434 H VAL 62 H VAL 62 2.573 -0.343 -12.113 435 HA VAL 62 HA VAL 62 3.293 -2.913 -11.049 436 HB VAL 62 HB VAL 62 3.739 -0.707 -9.936 437 HG11 VAL 62 1HG1 VAL 62 0.866 -0.822 -9.009 438 HG12 VAL 62 2HG1 VAL 62 1.348 0.128 -10.415 439 HG13 VAL 62 3HG1 VAL 62 2.025 0.495 -8.829 440 HG21 VAL 62 3HG2 VAL 62 2.112 -2.605 -8.228 441 HG22 VAL 62 1HG2 VAL 62 3.429 -1.557 -7.700 442 HG23 VAL 62 2HG2 VAL 62 3.764 -2.932 -8.752 443 H GLU 63 H GLU 63 2.077 -4.515 -10.229 444 HA GLU 63 HA GLU 63 -0.894 -4.327 -10.597 445 HB2 GLU 63 1HB GLU 63 0.988 -6.712 -10.592 446 HB3 GLU 63 2HB GLU 63 -0.771 -6.840 -10.640 447 HG2 GLU 63 1HG GLU 63 -0.844 -5.564 -12.725 448 HG3 GLU 63 2HG GLU 63 0.903 -5.333 -12.670 449 H TYR 64 H TYR 64 -2.230 -4.874 -8.934 450 HA TYR 64 HA TYR 64 -1.133 -5.953 -6.415 451 HB2 TYR 64 1HB TYR 64 -2.017 -4.097 -5.063 452 HB3 TYR 64 2HB TYR 64 -0.779 -3.533 -6.181 453 HD1 TYR 64 HD2 TYR 64 -1.405 -2.256 -8.217 454 HD2 TYR 64 HD1 TYR 64 -4.330 -3.422 -5.293 455 HE1 TYR 64 HE2 TYR 64 -3.014 -0.632 -9.178 456 HE2 TYR 64 HE1 TYR 64 -5.938 -1.796 -6.254 457 HH TYR 64 HH TYR 64 -5.484 0.572 -7.755 458 H GLU 65 H GLU 65 -2.828 -6.446 -4.867 459 HA GLU 65 HA GLU 65 -5.605 -6.587 -5.920 460 HB2 GLU 65 1HB GLU 65 -4.482 -8.703 -6.608 461 HB3 GLU 65 2HB GLU 65 -4.070 -9.012 -4.920 462 HG2 GLU 65 1HG GLU 65 -6.451 -9.051 -4.320 463 HG3 GLU 65 2HG GLU 65 -6.891 -8.669 -5.984 464 H VAL 66 H VAL 66 -7.141 -6.649 -4.320 465 HA VAL 66 HA VAL 66 -6.159 -6.428 -1.491 466 HB VAL 66 HB VAL 66 -8.076 -4.903 -1.122 467 HG11 VAL 66 1HG1 VAL 66 -6.073 -4.152 -3.258 468 HG12 VAL 66 2HG1 VAL 66 -5.917 -3.918 -1.518 469 HG13 VAL 66 3HG1 VAL 66 -7.099 -2.981 -2.429 470 HG21 VAL 66 3HG2 VAL 66 -8.389 -5.243 -4.114 471 HG22 VAL 66 1HG2 VAL 66 -9.083 -3.885 -3.228 472 HG23 VAL 66 2HG2 VAL 66 -9.601 -5.530 -2.865 473 H ALA 67 H ALA 67 -6.996 -7.792 -0.107 474 HA ALA 67 HA ALA 67 -8.937 -9.762 -0.970 475 HB1 ALA 67 3HB ALA 67 -8.099 -11.003 0.775 476 HB2 ALA 67 1HB ALA 67 -8.314 -9.685 1.931 477 HB3 ALA 67 2HB ALA 67 -6.889 -9.732 0.899 478 HA PRO 68 HA PRO 68 -12.750 -8.231 0.613 479 HB2 PRO 68 1HB PRO 68 -12.840 -10.373 2.711 480 HB3 PRO 68 2HB PRO 68 -14.033 -9.971 1.458 481 HG2 PRO 68 1HG PRO 68 -12.485 -12.112 1.218 482 HG3 PRO 68 2HG PRO 68 -12.872 -11.106 -0.192 483 HD2 PRO 68 1HD PRO 68 -10.329 -11.225 1.397 484 HD3 PRO 68 2HD PRO 68 -10.569 -11.045 -0.353 485 H VAL 69 H VAL 69 -13.289 -6.591 1.945 486 HA VAL 69 HA VAL 69 -12.120 -6.474 4.701 487 HB VAL 69 HB VAL 69 -12.212 -4.166 2.729 488 HG11 VAL 69 1HG1 VAL 69 -11.365 -4.409 5.623 489 HG12 VAL 69 2HG1 VAL 69 -12.613 -3.357 4.957 490 HG13 VAL 69 3HG1 VAL 69 -10.913 -3.044 4.603 491 HG21 VAL 69 3HG2 VAL 69 -9.662 -4.303 3.187 492 HG22 VAL 69 1HG2 VAL 69 -10.356 -5.500 2.100 493 HG23 VAL 69 2HG2 VAL 69 -9.989 -5.933 3.769 494 H ALA 70 H ALA 70 -13.566 -5.923 6.200 495 HA ALA 70 HA ALA 70 -16.346 -5.403 5.421 496 HB1 ALA 70 3HB ALA 70 -16.662 -5.357 7.960 497 HB2 ALA 70 1HB ALA 70 -14.955 -5.784 8.083 498 HB3 ALA 70 2HB ALA 70 -16.082 -6.877 7.281 499 H ASP 71 H ASP 71 -17.538 -3.604 6.451 500 HA ASP 71 HA ASP 71 -16.340 -1.077 5.858 501 HB2 ASP 71 1HB ASP 71 -18.768 -1.443 5.744 502 HB3 ASP 71 2HB ASP 71 -18.821 -1.711 7.487 503 H ASN 72 H ASN 72 -16.952 -2.783 8.896 504 HA ASN 72 HA ASN 72 -15.580 -0.625 10.431 505 HB2 ASN 72 1HB ASN 72 -17.160 -3.074 11.291 506 HB3 ASN 72 2HB ASN 72 -16.358 -1.975 12.414 507 HD21 ASN 72 2HD2 ASN 72 -19.306 -2.454 12.071 508 HD22 ASN 72 1HD2 ASN 72 -19.974 -0.935 11.712 509 H ALA 73 H ALA 73 -14.327 -2.710 8.578 510 HA ALA 73 HA ALA 73 -12.856 -4.623 10.106 511 HB1 ALA 73 3HB ALA 73 -11.820 -3.262 7.608 512 HB2 ALA 73 1HB ALA 73 -13.110 -4.462 7.547 513 HB3 ALA 73 2HB ALA 73 -11.518 -4.912 8.154 514 H THR 74 H THR 74 -12.231 -1.253 9.294 515 HA THR 74 HA THR 74 -10.757 0.302 10.222 516 HB THR 74 HB THR 74 -9.897 -1.733 12.276 517 HG1 THR 74 HG1 THR 74 -11.973 -1.998 12.588 518 HG21 THR 74 3HG2 THR 74 -8.954 0.607 12.149 519 HG22 THR 74 1HG2 THR 74 -9.718 0.202 13.686 520 HG23 THR 74 2HG2 THR 74 -10.573 1.203 12.513 521 H GLU 75 H GLU 75 -9.890 -2.663 8.955 522 HA GLU 75 HA GLU 75 -7.084 -1.725 8.550 523 HB2 GLU 75 1HB GLU 75 -6.251 -4.013 8.886 524 HB3 GLU 75 2HB GLU 75 -6.996 -3.375 10.347 525 HG2 GLU 75 1HG GLU 75 -7.872 -5.564 10.172 526 HG3 GLU 75 2HG GLU 75 -9.158 -4.541 9.535 527 H LEU 76 H LEU 76 -6.192 -2.249 6.617 528 HA LEU 76 HA LEU 76 -7.983 -3.572 4.604 529 HB2 LEU 76 1HB LEU 76 -7.654 -1.061 4.372 530 HB3 LEU 76 2HB LEU 76 -5.953 -1.394 4.061 531 HG LEU 76 HG LEU 76 -7.177 -3.179 2.324 532 HD11 LEU 76 1HD1 LEU 76 -9.075 -2.212 1.309 533 HD12 LEU 76 2HD1 LEU 76 -8.791 -0.640 2.057 534 HD13 LEU 76 3HD1 LEU 76 -9.372 -1.987 3.033 535 HD21 LEU 76 3HD2 LEU 76 -6.586 -1.574 0.550 536 HD22 LEU 76 1HD2 LEU 76 -5.323 -1.650 1.779 537 HD23 LEU 76 2HD2 LEU 76 -6.446 -0.289 1.752 538 H HIS 77 H HIS 77 -7.134 -5.286 3.642 539 HA HIS 77 HA HIS 77 -4.211 -5.856 3.972 540 HB2 HIS 77 1HB HIS 77 -6.604 -7.661 3.513 541 HB3 HIS 77 2HB HIS 77 -4.935 -8.221 3.390 542 HD1 HIS 77 HD1 HIS 77 -7.531 -8.195 5.762 543 HD2 HIS 77 HD2 HIS 77 -3.487 -7.205 5.980 544 HE1 HIS 77 HE1 HIS 77 -6.896 -8.309 8.212 545 H ALA 78 H ALA 78 -3.078 -5.330 2.235 546 HA ALA 78 HA ALA 78 -4.149 -6.009 -0.474 547 HB1 ALA 78 3HB ALA 78 -4.325 -3.514 0.144 548 HB2 ALA 78 1HB ALA 78 -3.523 -3.919 -1.372 549 HB3 ALA 78 2HB ALA 78 -2.564 -3.495 0.047 550 H ARG 79 H ARG 79 -2.562 -6.401 -2.041 551 HA ARG 79 HA ARG 79 0.215 -6.890 -1.017 552 HB2 ARG 79 1HB ARG 79 -1.527 -8.714 -2.699 553 HB3 ARG 79 2HB ARG 79 0.211 -8.935 -2.494 554 HG2 ARG 79 1HG ARG 79 -0.073 -9.115 -0.066 555 HG3 ARG 79 2HG ARG 79 -1.809 -8.845 -0.235 556 HD2 ARG 79 1HD ARG 79 -1.998 -10.881 -1.608 557 HD3 ARG 79 2HD ARG 79 -0.266 -11.162 -1.446 558 HE ARG 79 HE ARG 79 -2.302 -11.549 0.665 559 HH11 ARG 79 1HH2 ARG 79 1.041 -11.350 -0.252 560 HH12 ARG 79 2HH2 ARG 79 1.595 -12.198 1.153 561 HH21 ARG 79 1HH1 ARG 79 -1.572 -12.649 2.478 562 HH22 ARG 79 2HH1 ARG 79 0.124 -12.929 2.690 563 H PHE 80 H PHE 80 1.844 -6.536 -2.490 564 HA PHE 80 HA PHE 80 1.063 -5.384 -5.154 565 HB2 PHE 80 1HB PHE 80 3.088 -4.379 -3.139 566 HB3 PHE 80 2HB PHE 80 3.097 -3.883 -4.833 567 HD1 PHE 80 HD1 PHE 80 1.082 -3.897 -1.714 568 HD2 PHE 80 HD2 PHE 80 1.481 -2.339 -5.697 569 HE1 PHE 80 HE1 PHE 80 -0.698 -2.236 -1.242 570 HE2 PHE 80 HE2 PHE 80 -0.301 -0.679 -5.225 571 HZ PHE 80 HZ PHE 80 -1.391 -0.628 -2.998 572 H LYS 81 H LYS 81 2.354 -5.888 -6.852 573 HA LYS 81 HA LYS 81 4.482 -7.950 -6.379 574 HB2 LYS 81 1HB LYS 81 2.305 -8.571 -7.636 575 HB3 LYS 81 2HB LYS 81 2.943 -7.588 -8.953 576 HG2 LYS 81 1HG LYS 81 4.953 -8.957 -9.068 577 HG3 LYS 81 2HG LYS 81 4.454 -9.875 -7.652 578 HD2 LYS 81 1HD LYS 81 3.800 -11.282 -9.409 579 HD3 LYS 81 2HD LYS 81 2.308 -10.423 -9.040 580 HE2 LYS 81 1HE LYS 81 2.766 -10.504 -11.484 581 HE3 LYS 81 2HE LYS 81 2.722 -8.853 -10.877 582 HZ1 LYS 81 3HZ LYS 81 4.699 -9.794 -12.363 583 HZ2 LYS 81 1HZ LYS 81 5.309 -10.179 -10.828 584 HZ3 LYS 81 2HZ LYS 81 4.918 -8.569 -11.206 585 H PHE 82 H PHE 82 6.445 -7.263 -6.804 586 HA PHE 82 HA PHE 82 6.863 -5.022 -8.763 587 HB2 PHE 82 1HB PHE 82 8.553 -5.844 -6.375 588 HB3 PHE 82 2HB PHE 82 8.912 -4.520 -7.485 589 HD1 PHE 82 HD1 PHE 82 7.103 -2.696 -7.779 590 HD2 PHE 82 HD2 PHE 82 7.193 -5.451 -4.487 591 HE1 PHE 82 HE1 PHE 82 5.660 -1.168 -6.463 592 HE2 PHE 82 HE2 PHE 82 5.748 -3.925 -3.171 593 HZ PHE 82 HZ PHE 82 4.981 -1.784 -4.159 594 H GLU 83 H GLU 83 9.817 -5.946 -8.061 595 HA GLU 83 HA GLU 83 9.973 -8.294 -9.903 596 HB2 GLU 83 1HB GLU 83 10.290 -6.202 -11.245 597 HB3 GLU 83 2HB GLU 83 11.640 -5.767 -10.194 598 HG2 GLU 83 1HG GLU 83 12.829 -7.812 -10.821 599 HG3 GLU 83 2HG GLU 83 11.464 -8.325 -11.811 600 H VAL 84 H VAL 84 11.461 -6.178 -7.501 601 HA VAL 84 HA VAL 84 13.187 -8.464 -6.637 602 HB VAL 84 HB VAL 84 15.031 -6.858 -6.200 603 HG11 VAL 84 1HG1 VAL 84 14.166 -6.680 -9.091 604 HG12 VAL 84 2HG1 VAL 84 14.742 -8.183 -8.371 605 HG13 VAL 84 3HG1 VAL 84 15.806 -6.779 -8.451 606 HG21 VAL 84 3HG2 VAL 84 14.936 -4.615 -7.210 607 HG22 VAL 84 1HG2 VAL 84 13.639 -4.808 -6.031 608 HG23 VAL 84 2HG2 VAL 84 13.286 -4.916 -7.755 609 H SER 85 H SER 85 13.884 -8.275 -4.424 610 HA SER 85 HA SER 85 11.778 -7.575 -2.632 611 HB2 SER 85 1HB SER 85 14.700 -8.235 -2.186 612 HB3 SER 85 2HB SER 85 13.581 -7.937 -0.858 613 HG SER 85 HG SER 85 12.319 -9.585 -2.383 614 H ALA 86 H ALA 86 14.696 -5.877 -3.643 615 HA ALA 86 HA ALA 86 14.903 -3.865 -1.719 616 HB1 ALA 86 3HB ALA 86 16.448 -4.136 -3.661 617 HB2 ALA 86 1HB ALA 86 15.905 -2.468 -3.474 618 HB3 ALA 86 2HB ALA 86 15.196 -3.492 -4.724 619 H GLU 87 H GLU 87 12.804 -3.902 -4.590 620 HA GLU 87 HA GLU 87 11.650 -1.357 -4.366 621 HB2 GLU 87 1HB GLU 87 10.806 -3.989 -5.506 622 HB3 GLU 87 2HB GLU 87 9.502 -2.834 -5.233 623 HG2 GLU 87 1HG GLU 87 10.400 -2.563 -7.496 624 HG3 GLU 87 2HG GLU 87 10.748 -1.132 -6.527 625 H LYS 88 H LYS 88 10.844 -4.315 -2.611 626 HA LYS 88 HA LYS 88 8.481 -3.345 -1.320 627 HB2 LYS 88 1HB LYS 88 9.174 -5.747 -1.388 628 HB3 LYS 88 2HB LYS 88 10.491 -5.373 -0.275 629 HG2 LYS 88 1HG LYS 88 8.895 -4.634 1.421 630 HG3 LYS 88 2HG LYS 88 7.555 -4.904 0.309 631 HD2 LYS 88 1HD LYS 88 8.123 -7.310 0.214 632 HD3 LYS 88 2HD LYS 88 9.449 -7.037 1.343 633 HE2 LYS 88 1HE LYS 88 7.847 -6.247 3.044 634 HE3 LYS 88 2HE LYS 88 6.517 -6.507 1.915 635 HZ1 LYS 88 3HZ LYS 88 6.525 -8.449 3.121 636 HZ2 LYS 88 1HZ LYS 88 8.213 -8.490 3.272 637 HZ3 LYS 88 2HZ LYS 88 7.486 -8.884 1.789 638 H LEU 89 H LEU 89 11.889 -3.389 -0.298 639 HA LEU 89 HA LEU 89 11.468 -2.162 2.251 640 HB2 LEU 89 1HB LEU 89 13.846 -2.433 0.401 641 HB3 LEU 89 2HB LEU 89 13.985 -1.482 1.877 642 HG LEU 89 HG LEU 89 14.674 -3.895 2.146 643 HD11 LEU 89 1HD1 LEU 89 13.432 -2.288 3.946 644 HD12 LEU 89 2HD1 LEU 89 13.913 -3.935 4.318 645 HD13 LEU 89 3HD1 LEU 89 12.247 -3.592 3.875 646 HD21 LEU 89 3HD2 LEU 89 11.714 -4.494 1.939 647 HD22 LEU 89 1HD2 LEU 89 13.050 -5.642 2.022 648 HD23 LEU 89 2HD2 LEU 89 12.802 -4.684 0.566 649 H ILE 90 H ILE 90 12.329 -0.757 -0.894 650 HA ILE 90 HA ILE 90 12.435 1.961 0.083 651 HB ILE 90 HB ILE 90 11.925 1.000 -2.760 652 HG12 ILE 90 1HG1 ILE 90 13.937 -0.085 -1.912 653 HG13 ILE 90 2HG1 ILE 90 14.420 1.212 -2.999 654 HG21 ILE 90 1HG2 ILE 90 12.873 3.591 -1.531 655 HG22 ILE 90 2HG2 ILE 90 11.558 3.338 -2.675 656 HG23 ILE 90 3HG2 ILE 90 13.229 3.188 -3.210 657 HD11 ILE 90 3HD1 ILE 90 14.593 1.093 -0.001 658 HD12 ILE 90 1HD1 ILE 90 14.516 2.658 -0.806 659 HD13 ILE 90 2HD1 ILE 90 15.833 1.548 -1.164 660 H PHE 91 H PHE 91 9.950 0.080 -1.615 661 HA PHE 91 HA PHE 91 8.000 2.172 -1.770 662 HB2 PHE 91 1HB PHE 91 7.801 0.164 -3.140 663 HB3 PHE 91 2HB PHE 91 7.669 -0.849 -1.702 664 HD1 PHE 91 HD2 PHE 91 6.035 2.036 -3.440 665 HD2 PHE 91 HD1 PHE 91 5.551 -1.283 -0.757 666 HE1 PHE 91 HE2 PHE 91 3.587 2.418 -3.407 667 HE2 PHE 91 HE1 PHE 91 3.101 -0.900 -0.727 668 HZ PHE 91 HZ PHE 91 2.119 0.950 -2.053 669 H GLU 92 H GLU 92 8.512 -0.425 0.604 670 HA GLU 92 HA GLU 92 6.276 0.237 2.273 671 HB2 GLU 92 1HB GLU 92 7.572 -1.940 2.308 672 HB3 GLU 92 2HB GLU 92 8.871 -1.083 3.138 673 HG2 GLU 92 1HG GLU 92 7.514 -2.122 4.836 674 HG3 GLU 92 2HG GLU 92 7.169 -0.395 4.883 675 H LEU 93 H LEU 93 9.659 1.263 2.253 676 HA LEU 93 HA LEU 93 9.655 2.659 4.738 677 HB2 LEU 93 1HB LEU 93 11.714 2.123 3.505 678 HB3 LEU 93 2HB LEU 93 11.233 3.197 2.195 679 HG LEU 93 HG LEU 93 11.199 4.490 4.880 680 HD11 LEU 93 1HD1 LEU 93 13.679 4.754 4.931 681 HD12 LEU 93 2HD1 LEU 93 13.804 3.540 3.657 682 HD13 LEU 93 3HD1 LEU 93 13.155 3.098 5.236 683 HD21 LEU 93 3HD2 LEU 93 10.957 5.536 2.521 684 HD22 LEU 93 1HD2 LEU 93 12.701 5.327 2.393 685 HD23 LEU 93 2HD2 LEU 93 12.025 6.349 3.662 686 H LYS 94 H LYS 94 9.087 3.835 1.423 687 HA LYS 94 HA LYS 94 8.466 6.536 2.221 688 HB2 LYS 94 1HB LYS 94 7.818 4.988 -0.305 689 HB3 LYS 94 2HB LYS 94 7.544 6.720 -0.110 690 HG2 LYS 94 1HG LYS 94 10.007 6.928 0.484 691 HG3 LYS 94 2HG LYS 94 10.194 5.254 -0.040 692 HD2 LYS 94 1HD LYS 94 9.089 7.494 -1.762 693 HD3 LYS 94 2HD LYS 94 10.735 6.870 -1.854 694 HE2 LYS 94 1HE LYS 94 9.632 4.559 -2.219 695 HE3 LYS 94 2HE LYS 94 8.159 5.465 -2.552 696 HZ1 LYS 94 3HZ LYS 94 10.084 6.748 -3.996 697 HZ2 LYS 94 1HZ LYS 94 8.919 5.676 -4.605 698 HZ3 LYS 94 2HZ LYS 94 10.464 5.103 -4.189 699 H THR 95 H THR 95 6.500 3.673 1.497 700 HA THR 95 HA THR 95 3.939 4.909 1.626 701 HB THR 95 HB THR 95 4.733 2.069 2.374 702 HG1 THR 95 HG1 THR 95 3.488 2.749 -0.015 703 HG21 THR 95 3HG2 THR 95 2.309 1.639 1.710 704 HG22 THR 95 1HG2 THR 95 2.075 3.385 1.802 705 HG23 THR 95 2HG2 THR 95 2.546 2.482 3.242 706 H ARG 96 H ARG 96 5.857 3.290 4.159 707 HA ARG 96 HA ARG 96 3.966 3.728 6.276 708 HB2 ARG 96 1HB ARG 96 6.961 3.235 6.289 709 HB3 ARG 96 2HB ARG 96 6.003 3.360 7.766 710 HG2 ARG 96 1HG ARG 96 4.585 1.495 7.033 711 HG3 ARG 96 2HG ARG 96 5.478 1.390 5.518 712 HD2 ARG 96 1HD ARG 96 6.288 -0.321 7.073 713 HD3 ARG 96 2HD ARG 96 7.548 0.881 6.798 714 HE ARG 96 HE ARG 96 7.300 1.620 9.048 715 HH11 ARG 96 1HH2 ARG 96 4.845 -0.654 8.121 716 HH12 ARG 96 2HH2 ARG 96 4.292 -0.893 9.746 717 HH21 ARG 96 1HH1 ARG 96 6.577 1.300 11.147 718 HH22 ARG 96 2HH1 ARG 96 5.268 0.208 11.450 719 H ALA 97 H ALA 97 6.741 5.571 5.086 720 HA ALA 97 HA ALA 97 6.731 7.590 7.116 721 HB1 ALA 97 3HB ALA 97 7.687 7.604 4.233 722 HB2 ALA 97 1HB ALA 97 8.664 7.387 5.685 723 HB3 ALA 97 2HB ALA 97 7.940 8.956 5.338 724 H LEU 98 H LEU 98 5.015 7.220 4.061 725 HA LEU 98 HA LEU 98 3.917 9.842 3.870 726 HB2 LEU 98 1HB LEU 98 3.883 7.798 2.186 727 HB3 LEU 98 2HB LEU 98 2.378 7.379 2.999 728 HG LEU 98 HG LEU 98 2.963 10.086 1.758 729 HD11 LEU 98 1HD1 LEU 98 1.298 7.767 0.748 730 HD12 LEU 98 2HD1 LEU 98 2.793 8.368 0.030 731 HD13 LEU 98 3HD1 LEU 98 1.343 9.373 0.021 732 HD21 LEU 98 3HD2 LEU 98 0.314 10.069 1.976 733 HD22 LEU 98 1HD2 LEU 98 1.320 10.521 3.343 734 HD23 LEU 98 2HD2 LEU 98 0.633 8.900 3.255 735 H ALA 99 H ALA 99 2.607 6.863 5.321 736 HA ALA 99 HA ALA 99 0.220 8.168 6.341 737 HB1 ALA 99 3HB ALA 99 1.516 5.473 6.815 738 HB2 ALA 99 1HB ALA 99 0.023 5.834 5.949 739 HB3 ALA 99 2HB ALA 99 0.077 5.978 7.704 740 H ARG 100 H ARG 100 3.328 7.179 7.719 741 HA ARG 100 HA ARG 100 2.640 8.115 10.401 742 HB2 ARG 100 1HB ARG 100 5.329 7.333 9.212 743 HB3 ARG 100 2HB ARG 100 4.974 7.515 10.928 744 HG2 ARG 100 1HG ARG 100 3.375 5.599 9.218 745 HG3 ARG 100 2HG ARG 100 4.919 5.113 9.917 746 HD2 ARG 100 1HD ARG 100 4.068 5.759 12.165 747 HD3 ARG 100 2HD ARG 100 2.503 6.127 11.452 748 HE ARG 100 HE ARG 100 3.643 3.437 11.850 749 HH11 ARG 100 1HH2 ARG 100 1.212 5.467 10.426 750 HH12 ARG 100 2HH2 ARG 100 0.097 4.164 10.196 751 HH21 ARG 100 1HH1 ARG 100 2.193 1.759 11.548 752 HH22 ARG 100 2HH1 ARG 100 0.650 2.073 10.828 753 H LEU 101 H LEU 101 3.621 9.572 7.548 754 HA LEU 101 HA LEU 101 4.668 11.624 7.040 755 HB2 LEU 101 1HB LEU 101 2.881 12.299 9.392 756 HB3 LEU 101 2HB LEU 101 3.609 13.502 8.332 757 HG LEU 101 HG LEU 101 1.847 11.243 7.339 758 HD11 LEU 101 1HD1 LEU 101 0.480 12.656 8.749 759 HD12 LEU 101 2HD1 LEU 101 0.117 13.049 7.068 760 HD13 LEU 101 3HD1 LEU 101 1.154 14.113 8.018 761 HD21 LEU 101 3HD2 LEU 101 3.061 11.982 5.478 762 HD22 LEU 101 1HD2 LEU 101 3.190 13.634 6.077 763 HD23 LEU 101 2HD2 LEU 101 1.671 13.051 5.407 764 H GLU 102 H GLU 102 6.613 10.333 8.103 765 HA GLU 102 HA GLU 102 7.617 11.656 10.554 766 HB2 GLU 102 1HB GLU 102 9.464 10.050 10.397 767 HB3 GLU 102 2HB GLU 102 7.927 9.204 10.231 768 HG2 GLU 102 1HG GLU 102 8.200 9.294 7.743 769 HG3 GLU 102 2HG GLU 102 9.790 10.016 7.974 770 H HIS 103 H HIS 103 7.586 12.282 7.280 771 HA HIS 103 HA HIS 103 10.296 13.307 6.961 772 HB2 HIS 103 1HB HIS 103 9.131 12.545 4.985 773 HB3 HIS 103 2HB HIS 103 7.773 13.624 5.302 774 HD1 HIS 103 HD1 HIS 103 11.518 13.859 4.600 775 HD2 HIS 103 HD2 HIS 103 8.039 16.097 4.080 776 HE1 HIS 103 HE1 HIS 103 12.183 15.923 3.292 777 H HIS 104 H HIS 104 11.012 15.321 7.278 778 HA HIS 104 HA HIS 104 11.114 17.515 8.051 779 HB2 HIS 104 1HB HIS 104 9.604 17.805 6.046 780 HB3 HIS 104 2HB HIS 104 8.235 17.714 7.153 781 HD1 HIS 104 HD1 HIS 104 11.465 19.722 6.798 782 HD2 HIS 104 HD2 HIS 104 7.576 20.171 8.233 783 HE1 HIS 104 HE1 HIS 104 11.243 22.139 7.522 784 H HIS 105 H HIS 105 10.065 19.058 9.619 785 HA HIS 105 HA HIS 105 9.196 17.534 11.973 786 HB2 HIS 105 1HB HIS 105 9.493 19.629 13.179 787 HB3 HIS 105 2HB HIS 105 10.883 19.379 12.127 788 HD1 HIS 105 HD1 HIS 105 7.716 21.429 12.398 789 HD2 HIS 105 HD2 HIS 105 11.194 21.312 10.104 790 HE1 HIS 105 HE1 HIS 105 7.744 23.560 11.030 791 H HIS 106 H HIS 106 7.732 19.891 13.014 792 HA HIS 106 HA HIS 106 5.084 19.062 12.376 793 HB2 HIS 106 1HB HIS 106 5.716 20.177 14.501 794 HB3 HIS 106 2HB HIS 106 5.973 21.682 13.616 795 HD1 HIS 106 HD1 HIS 106 3.158 19.098 13.830 796 HD2 HIS 106 HD2 HIS 106 3.700 23.227 13.699 797 HE1 HIS 106 HE1 HIS 106 0.847 20.127 13.959 798 H HIS 107 H HIS 107 3.398 20.312 11.414 799 HA HIS 107 HA HIS 107 3.994 21.236 8.788 800 HB2 HIS 107 1HB HIS 107 1.542 21.581 10.547 801 HB3 HIS 107 2HB HIS 107 1.604 22.124 8.871 802 HD1 HIS 107 HD1 HIS 107 1.518 19.019 10.978 803 HD2 HIS 107 HD2 HIS 107 1.627 20.030 6.935 804 HE1 HIS 107 HE1 HIS 107 1.013 16.895 9.694 805 H HIS 108 H HIS 108 3.203 23.004 11.776 806 HA HIS 108 HA HIS 108 4.019 25.558 10.432 807 HB2 HIS 108 1HB HIS 108 2.453 25.061 12.989 808 HB3 HIS 108 2HB HIS 108 2.883 26.650 12.359 809 HD1 HIS 108 HD1 HIS 108 0.529 23.808 11.852 810 HD2 HIS 108 HD2 HIS 108 1.512 27.368 9.917 811 HE1 HIS 108 HE1 HIS 108 -1.298 24.226 10.148 Start of MODEL 2 1 H1 MET 1 1H MET 1 -34.371 -6.401 14.203 2 H2 MET 1 2H MET 1 -34.256 -4.829 13.571 3 H3 MET 1 3H MET 1 -33.940 -5.113 15.217 4 HA MET 1 HA MET 1 -32.277 -5.727 12.870 5 HB2 MET 1 1HB MET 1 -31.955 -4.413 15.574 6 HB3 MET 1 2HB MET 1 -30.546 -4.965 14.669 7 HG2 MET 1 1HG MET 1 -30.987 -2.611 14.150 8 HG3 MET 1 2HG MET 1 -31.292 -3.603 12.724 9 HE1 MET 1 3HE MET 1 -32.469 -1.071 15.130 10 HE2 MET 1 1HE MET 1 -33.136 -2.441 16.030 11 HE3 MET 1 2HE MET 1 -34.213 -1.252 15.304 12 H SER 2 H SER 2 -33.917 -7.607 14.790 13 HA SER 2 HA SER 2 -31.688 -9.561 15.114 14 HB2 SER 2 1HB SER 2 -31.993 -8.525 17.324 15 HB3 SER 2 2HB SER 2 -33.715 -8.891 17.267 16 HG SER 2 HG SER 2 -32.422 -10.456 18.419 17 H ASN 3 H ASN 3 -32.352 -11.724 15.014 18 HA ASN 3 HA ASN 3 -33.587 -13.420 13.969 19 HB2 ASN 3 1HB ASN 3 -35.742 -13.857 15.058 20 HB3 ASN 3 2HB ASN 3 -34.545 -13.367 16.255 21 HD21 ASN 3 2HD2 ASN 3 -37.594 -12.527 14.802 22 HD22 ASN 3 1HD2 ASN 3 -37.849 -11.100 15.684 23 H GLN 4 H GLN 4 -33.355 -11.305 12.254 24 HA GLN 4 HA GLN 4 -35.902 -10.358 11.273 25 HB2 GLN 4 1HB GLN 4 -34.616 -9.561 9.325 26 HB3 GLN 4 2HB GLN 4 -33.826 -9.122 10.838 27 HG2 GLN 4 1HG GLN 4 -32.342 -11.107 10.611 28 HG3 GLN 4 2HG GLN 4 -33.096 -11.465 9.056 29 HE21 GLN 4 2HE2 GLN 4 -31.014 -11.079 7.937 30 HE22 GLN 4 1HE2 GLN 4 -30.434 -9.499 7.719 31 H THR 5 H THR 5 -37.199 -11.170 9.700 32 HA THR 5 HA THR 5 -36.823 -13.983 8.956 33 HB THR 5 HB THR 5 -39.076 -13.952 8.328 34 HG1 THR 5 HG1 THR 5 -38.444 -11.355 7.575 35 HG21 THR 5 3HG2 THR 5 -40.262 -12.734 10.050 36 HG22 THR 5 1HG2 THR 5 -38.910 -11.621 10.256 37 HG23 THR 5 2HG2 THR 5 -38.742 -13.311 10.733 38 H CYS 6 H CYS 6 -37.917 -14.190 6.505 39 HA CYS 6 HA CYS 6 -37.100 -14.340 4.303 40 HB2 CYS 6 1HB CYS 6 -37.248 -12.129 3.142 41 HB3 CYS 6 2HB CYS 6 -38.649 -12.486 4.148 42 HG CYS 6 HG CYS 6 -36.570 -10.276 4.692 43 H VAL 7 H VAL 7 -35.027 -15.164 4.457 44 HA VAL 7 HA VAL 7 -32.761 -13.434 5.082 45 HB VAL 7 HB VAL 7 -32.725 -15.793 5.738 46 HG11 VAL 7 1HG1 VAL 7 -32.753 -17.588 4.173 47 HG12 VAL 7 2HG1 VAL 7 -32.558 -16.495 2.802 48 HG13 VAL 7 3HG1 VAL 7 -34.080 -16.530 3.693 49 HG21 VAL 7 3HG2 VAL 7 -30.691 -15.435 3.532 50 HG22 VAL 7 1HG2 VAL 7 -30.495 -16.270 5.074 51 HG23 VAL 7 2HG2 VAL 7 -30.614 -14.511 5.031 52 H GLU 8 H GLU 8 -31.598 -12.279 3.659 53 HA GLU 8 HA GLU 8 -32.288 -12.394 0.792 54 HB2 GLU 8 1HB GLU 8 -30.541 -10.549 2.444 55 HB3 GLU 8 2HB GLU 8 -30.729 -10.388 0.698 56 HG2 GLU 8 1HG GLU 8 -33.145 -10.079 0.961 57 HG3 GLU 8 2HG GLU 8 -33.011 -10.331 2.700 58 H ASN 9 H ASN 9 -30.046 -13.865 2.837 59 HA ASN 9 HA ASN 9 -28.455 -14.762 0.511 60 HB2 ASN 9 1HB ASN 9 -27.258 -12.744 1.322 61 HB3 ASN 9 2HB ASN 9 -27.141 -13.471 2.925 62 HD21 ASN 9 2HD2 ASN 9 -24.782 -13.571 2.802 63 HD22 ASN 9 1HD2 ASN 9 -23.999 -14.687 1.791 64 H GLU 10 H GLU 10 -28.828 -16.895 0.762 65 HA GLU 10 HA GLU 10 -29.377 -18.279 3.160 66 HB2 GLU 10 1HB GLU 10 -28.890 -20.323 1.884 67 HB3 GLU 10 2HB GLU 10 -29.821 -19.187 0.909 68 HG2 GLU 10 1HG GLU 10 -27.722 -18.395 -0.155 69 HG3 GLU 10 2HG GLU 10 -26.811 -19.576 0.784 70 H VAL 11 H VAL 11 -27.560 -20.472 3.078 71 HA VAL 11 HA VAL 11 -25.586 -19.575 4.938 72 HB VAL 11 HB VAL 11 -26.541 -21.892 4.794 73 HG11 VAL 11 1HG1 VAL 11 -26.254 -22.041 2.277 74 HG12 VAL 11 2HG1 VAL 11 -25.696 -23.451 3.177 75 HG13 VAL 11 3HG1 VAL 11 -24.530 -22.279 2.563 76 HG21 VAL 11 3HG2 VAL 11 -23.520 -21.643 4.690 77 HG22 VAL 11 1HG2 VAL 11 -24.407 -23.008 5.370 78 HG23 VAL 11 2HG2 VAL 11 -24.529 -21.415 6.119 79 H CYS 12 H CYS 12 -23.505 -18.971 4.698 80 HA CYS 12 HA CYS 12 -22.529 -18.004 2.208 81 HB2 CYS 12 1HB CYS 12 -21.820 -17.625 4.787 82 HB3 CYS 12 2HB CYS 12 -20.548 -18.747 4.319 83 HG CYS 12 HG CYS 12 -19.461 -16.914 3.067 84 H GLU 13 H GLU 13 -21.584 -20.905 4.050 85 HA GLU 13 HA GLU 13 -20.185 -22.699 3.386 86 HB2 GLU 13 1HB GLU 13 -22.448 -23.363 2.661 87 HB3 GLU 13 2HB GLU 13 -22.180 -22.584 1.104 88 HG2 GLU 13 1HG GLU 13 -20.324 -24.105 0.618 89 HG3 GLU 13 2HG GLU 13 -20.479 -24.837 2.215 90 H ALA 14 H ALA 14 -20.930 -21.879 0.064 91 HA ALA 14 HA ALA 14 -18.154 -22.008 -0.702 92 HB1 ALA 14 3HB ALA 14 -19.789 -22.718 -2.294 93 HB2 ALA 14 1HB ALA 14 -19.080 -21.236 -2.936 94 HB3 ALA 14 2HB ALA 14 -20.665 -21.193 -2.166 95 H CYS 15 H CYS 15 -17.473 -20.121 -2.331 96 HA CYS 15 HA CYS 15 -16.831 -17.846 -0.729 97 HB2 CYS 15 1HB CYS 15 -16.802 -18.228 -3.741 98 HB3 CYS 15 2HB CYS 15 -16.047 -16.871 -2.904 99 HG CYS 15 HG CYS 15 -14.588 -19.307 -3.353 100 H GLY 16 H GLY 16 -19.359 -18.427 -3.133 101 HA2 GLY 16 1HA GLY 16 -21.435 -17.321 -3.365 102 HA3 GLY 16 2HA GLY 16 -20.995 -16.282 -2.009 103 H CYS 17 H CYS 17 -18.408 -16.225 -4.042 104 HA CYS 17 HA CYS 17 -19.448 -14.268 -5.971 105 HB2 CYS 17 1HB CYS 17 -18.126 -12.397 -5.206 106 HB3 CYS 17 2HB CYS 17 -19.088 -12.965 -3.841 107 HG CYS 17 HG CYS 17 -16.958 -13.313 -2.641 108 H ALA 18 H ALA 18 -17.867 -13.691 -7.560 109 HA ALA 18 HA ALA 18 -16.277 -14.425 -9.136 110 HB1 ALA 18 3HB ALA 18 -14.561 -14.376 -6.641 111 HB2 ALA 18 1HB ALA 18 -14.994 -12.958 -7.596 112 HB3 ALA 18 2HB ALA 18 -13.995 -14.227 -8.304 113 H GLY 19 H GLY 19 -13.974 -15.999 -8.798 114 HA2 GLY 19 1HA GLY 19 -13.962 -18.428 -7.575 115 HA3 GLY 19 2HA GLY 19 -15.198 -18.674 -8.813 116 H GLU 20 H GLU 20 -14.491 -17.943 -11.066 117 HA GLU 20 HA GLU 20 -13.112 -18.516 -12.884 118 HB2 GLU 20 1HB GLU 20 -12.202 -16.292 -11.980 119 HB3 GLU 20 2HB GLU 20 -10.922 -17.241 -11.227 120 HG2 GLU 20 1HG GLU 20 -10.273 -18.142 -13.432 121 HG3 GLU 20 2HG GLU 20 -11.590 -17.256 -14.189 122 H ILE 21 H ILE 21 -10.057 -18.693 -11.726 123 HA ILE 21 HA ILE 21 -10.160 -21.671 -11.474 124 HB ILE 21 HB ILE 21 -7.962 -19.765 -12.324 125 HG12 ILE 21 1HG1 ILE 21 -9.264 -22.041 -13.844 126 HG13 ILE 21 2HG1 ILE 21 -9.824 -20.373 -13.954 127 HG21 ILE 21 1HG2 ILE 21 -7.934 -22.728 -11.733 128 HG22 ILE 21 2HG2 ILE 21 -6.851 -21.481 -11.116 129 HG23 ILE 21 3HG2 ILE 21 -6.748 -21.981 -12.803 130 HD11 ILE 21 3HD1 ILE 21 -7.756 -19.636 -14.894 131 HD12 ILE 21 1HD1 ILE 21 -8.166 -21.122 -15.752 132 HD13 ILE 21 2HD1 ILE 21 -6.947 -21.148 -14.478 133 H GLY 22 H GLY 22 -9.123 -18.675 -9.939 134 HA2 GLY 22 1HA GLY 22 -9.191 -19.467 -7.323 135 HA3 GLY 22 2HA GLY 22 -7.627 -20.091 -7.843 136 H PHE 23 H PHE 23 -6.638 -18.624 -6.315 137 HA PHE 23 HA PHE 23 -6.953 -15.740 -6.638 138 HB2 PHE 23 1HB PHE 23 -5.124 -17.500 -5.002 139 HB3 PHE 23 2HB PHE 23 -4.943 -15.745 -5.026 140 HD1 PHE 23 HD1 PHE 23 -6.874 -14.292 -4.327 141 HD2 PHE 23 HD2 PHE 23 -6.882 -18.550 -3.764 142 HE1 PHE 23 HE1 PHE 23 -8.722 -14.070 -2.691 143 HE2 PHE 23 HE2 PHE 23 -8.732 -18.329 -2.126 144 HZ PHE 23 HZ PHE 23 -9.652 -16.088 -1.590 145 H ILE 24 H ILE 24 -5.684 -14.375 -7.794 146 HA ILE 24 HA ILE 24 -3.737 -15.546 -9.669 147 HB ILE 24 HB ILE 24 -5.380 -13.917 -10.481 148 HG12 ILE 24 1HG1 ILE 24 -2.700 -12.539 -10.575 149 HG13 ILE 24 2HG1 ILE 24 -2.925 -14.099 -11.353 150 HG21 ILE 24 1HG2 ILE 24 -5.959 -12.191 -9.100 151 HG22 ILE 24 2HG2 ILE 24 -4.456 -11.405 -9.570 152 HG23 ILE 24 3HG2 ILE 24 -4.517 -12.394 -8.113 153 HD11 ILE 24 3HD1 ILE 24 -4.813 -13.153 -12.648 154 HD12 ILE 24 1HD1 ILE 24 -3.312 -12.274 -12.948 155 HD13 ILE 24 2HD1 ILE 24 -4.539 -11.589 -11.882 156 H ILE 25 H ILE 25 -1.671 -14.235 -10.014 157 HA ILE 25 HA ILE 25 0.474 -14.005 -9.034 158 HB ILE 25 HB ILE 25 0.587 -11.766 -7.837 159 HG12 ILE 25 1HG1 ILE 25 -2.367 -11.635 -8.523 160 HG13 ILE 25 2HG1 ILE 25 -1.768 -11.938 -6.900 161 HG21 ILE 25 1HG2 ILE 25 -0.406 -12.313 -10.599 162 HG22 ILE 25 2HG2 ILE 25 0.997 -11.391 -10.073 163 HG23 ILE 25 3HG2 ILE 25 -0.599 -10.648 -10.051 164 HD11 ILE 25 3HD1 ILE 25 -2.235 -9.566 -7.153 165 HD12 ILE 25 1HD1 ILE 25 -1.217 -9.490 -8.592 166 HD13 ILE 25 2HD1 ILE 25 -0.494 -9.802 -7.014 167 H ARG 26 H ARG 26 0.005 -16.007 -7.729 168 HA ARG 26 HA ARG 26 -0.871 -16.090 -5.099 169 HB2 ARG 26 1HB ARG 26 0.686 -18.010 -4.790 170 HB3 ARG 26 2HB ARG 26 -0.230 -18.107 -6.294 171 HG2 ARG 26 1HG ARG 26 1.696 -17.144 -7.519 172 HG3 ARG 26 2HG ARG 26 2.613 -17.086 -6.014 173 HD2 ARG 26 1HD ARG 26 1.451 -19.631 -7.186 174 HD3 ARG 26 2HD ARG 26 3.119 -19.109 -7.422 175 HE ARG 26 HE ARG 26 2.615 -19.117 -4.632 176 HH11 ARG 26 1HH2 ARG 26 2.797 -21.289 -7.314 177 HH12 ARG 26 2HH2 ARG 26 3.326 -22.629 -6.354 178 HH21 ARG 26 1HH1 ARG 26 3.303 -20.856 -3.380 179 HH22 ARG 26 2HH1 ARG 26 3.611 -22.385 -4.132 180 H GLU 27 H GLU 27 0.786 -16.619 -3.215 181 HA GLU 27 HA GLU 27 2.080 -14.099 -2.597 182 HB2 GLU 27 1HB GLU 27 2.039 -16.774 -1.169 183 HB3 GLU 27 2HB GLU 27 2.753 -15.310 -0.496 184 HG2 GLU 27 1HG GLU 27 0.593 -15.254 0.419 185 HG3 GLU 27 2HG GLU 27 0.405 -14.238 -1.007 186 H GLY 28 H GLY 28 3.371 -14.596 -4.762 187 HA2 GLY 28 1HA GLY 28 5.707 -16.318 -4.417 188 HA3 GLY 28 2HA GLY 28 5.392 -15.258 -5.788 189 H ASP 29 H ASP 29 7.918 -15.286 -4.902 190 HA ASP 29 HA ASP 29 8.513 -13.349 -2.837 191 HB2 ASP 29 1HB ASP 29 10.142 -14.541 -5.092 192 HB3 ASP 29 2HB ASP 29 10.821 -13.424 -3.907 193 H ASP 30 H ASP 30 7.362 -13.041 -6.007 194 HA ASP 30 HA ASP 30 8.596 -10.381 -6.452 195 HB2 ASP 30 1HB ASP 30 7.297 -10.467 -8.604 196 HB3 ASP 30 2HB ASP 30 8.421 -11.811 -8.410 197 H VAL 31 H VAL 31 6.305 -11.376 -4.473 198 HA VAL 31 HA VAL 31 4.435 -9.096 -5.055 199 HB VAL 31 HB VAL 31 3.820 -11.566 -3.420 200 HG11 VAL 31 1HG1 VAL 31 1.458 -10.791 -3.961 201 HG12 VAL 31 2HG1 VAL 31 2.170 -9.302 -4.577 202 HG13 VAL 31 3HG1 VAL 31 2.364 -9.734 -2.879 203 HG21 VAL 31 3HG2 VAL 31 3.455 -10.984 -6.365 204 HG22 VAL 31 1HG2 VAL 31 2.430 -12.143 -5.518 205 HG23 VAL 31 2HG2 VAL 31 4.170 -12.408 -5.611 206 H ALA 32 H ALA 32 3.544 -8.049 -3.123 207 HA ALA 32 HA ALA 32 5.255 -8.293 -0.684 208 HB1 ALA 32 3HB ALA 32 6.208 -6.414 -1.811 209 HB2 ALA 32 1HB ALA 32 5.137 -5.736 -0.584 210 HB3 ALA 32 2HB ALA 32 4.620 -5.799 -2.268 211 H GLU 33 H GLU 33 4.202 -7.641 1.241 212 HA GLU 33 HA GLU 33 1.229 -7.681 1.040 213 HB2 GLU 33 1HB GLU 33 3.129 -8.187 3.342 214 HB3 GLU 33 2HB GLU 33 1.373 -8.185 3.501 215 HG2 GLU 33 1HG GLU 33 2.917 -9.961 1.593 216 HG3 GLU 33 2HG GLU 33 2.324 -10.476 3.171 217 H VAL 34 H VAL 34 -0.017 -6.090 1.897 218 HA VAL 34 HA VAL 34 1.357 -3.687 3.054 219 HB VAL 34 HB VAL 34 -0.798 -3.805 0.930 220 HG11 VAL 34 1HG1 VAL 34 -1.533 -2.083 2.403 221 HG12 VAL 34 2HG1 VAL 34 -0.636 -1.243 1.139 222 HG13 VAL 34 3HG1 VAL 34 0.115 -1.534 2.708 223 HG21 VAL 34 3HG2 VAL 34 1.956 -2.536 1.063 224 HG22 VAL 34 1HG2 VAL 34 0.842 -2.398 -0.297 225 HG23 VAL 34 2HG2 VAL 34 1.519 -3.970 0.133 226 H SER 35 H SER 35 0.388 -2.890 4.860 227 HA SER 35 HA SER 35 -2.409 -3.695 5.487 228 HB2 SER 35 1HB SER 35 -1.757 -4.348 7.773 229 HB3 SER 35 2HB SER 35 -0.967 -5.373 6.577 230 HG SER 35 HG SER 35 0.862 -3.953 6.772 231 H LEU 36 H LEU 36 -3.463 -1.881 5.983 232 HA LEU 36 HA LEU 36 -1.966 0.331 7.345 233 HB2 LEU 36 1HB LEU 36 -2.560 0.862 4.976 234 HB3 LEU 36 2HB LEU 36 -4.259 0.616 5.382 235 HG LEU 36 HG LEU 36 -4.091 2.408 7.097 236 HD11 LEU 36 1HD1 LEU 36 -1.926 3.916 6.679 237 HD12 LEU 36 2HD1 LEU 36 -1.222 2.369 6.209 238 HD13 LEU 36 3HD1 LEU 36 -1.893 2.581 7.826 239 HD21 LEU 36 3HD2 LEU 36 -3.079 3.397 4.422 240 HD22 LEU 36 1HD2 LEU 36 -4.136 4.238 5.556 241 HD23 LEU 36 2HD2 LEU 36 -4.731 2.832 4.675 242 H PHE 37 H PHE 37 -2.892 1.151 9.160 243 HA PHE 37 HA PHE 37 -5.522 -0.007 10.011 244 HB2 PHE 37 1HB PHE 37 -3.629 -0.546 11.482 245 HB3 PHE 37 2HB PHE 37 -3.266 1.171 11.658 246 HD1 PHE 37 HD1 PHE 37 -5.965 -1.357 12.187 247 HD2 PHE 37 HD2 PHE 37 -4.363 2.469 13.308 248 HE1 PHE 37 HE1 PHE 37 -7.619 -1.204 14.027 249 HE2 PHE 37 HE2 PHE 37 -6.018 2.621 15.150 250 HZ PHE 37 HZ PHE 37 -7.646 0.784 15.508 251 H GLY 38 H GLY 38 -7.206 1.361 10.273 252 HA2 GLY 38 1HA GLY 38 -6.933 4.110 11.089 253 HA3 GLY 38 2HA GLY 38 -7.220 4.011 9.353 254 H SER 39 H SER 39 -9.256 5.106 9.803 255 HA SER 39 HA SER 39 -11.304 3.837 11.421 256 HB2 SER 39 1HB SER 39 -11.250 6.272 11.028 257 HB3 SER 39 2HB SER 39 -11.526 5.998 9.311 258 HG SER 39 HG SER 39 -13.391 6.429 10.859 259 H ASP 40 H ASP 40 -13.424 4.400 9.411 260 HA ASP 40 HA ASP 40 -13.973 1.813 8.517 261 HB2 ASP 40 1HB ASP 40 -14.828 4.486 7.393 262 HB3 ASP 40 2HB ASP 40 -15.488 2.952 6.825 263 H LYS 41 H LYS 41 -14.320 1.306 6.080 264 HA LYS 41 HA LYS 41 -11.769 0.957 4.846 265 HB2 LYS 41 1HB LYS 41 -13.781 -0.457 4.441 266 HB3 LYS 41 2HB LYS 41 -14.510 0.880 3.556 267 HG2 LYS 41 1HG LYS 41 -12.614 0.853 1.966 268 HG3 LYS 41 2HG LYS 41 -11.906 -0.502 2.840 269 HD2 LYS 41 1HD LYS 41 -14.711 -0.643 1.723 270 HD3 LYS 41 2HD LYS 41 -13.310 -1.043 0.734 271 HE2 LYS 41 1HE LYS 41 -12.626 -2.685 2.540 272 HE3 LYS 41 2HE LYS 41 -14.190 -2.397 3.299 273 HZ1 LYS 41 3HZ LYS 41 -13.963 -3.181 0.463 274 HZ2 LYS 41 1HZ LYS 41 -15.315 -3.279 1.482 275 HZ3 LYS 41 2HZ LYS 41 -14.004 -4.337 1.708 276 H ALA 42 H ALA 42 -14.394 3.270 4.225 277 HA ALA 42 HA ALA 42 -13.374 4.533 1.924 278 HB1 ALA 42 3HB ALA 42 -14.822 5.763 4.286 279 HB2 ALA 42 1HB ALA 42 -15.577 5.080 2.846 280 HB3 ALA 42 2HB ALA 42 -14.610 6.551 2.724 281 H HIS 43 H HIS 43 -12.651 5.220 5.340 282 HA HIS 43 HA HIS 43 -10.865 7.408 4.870 283 HB2 HIS 43 1HB HIS 43 -11.828 6.842 7.093 284 HB3 HIS 43 2HB HIS 43 -10.837 5.384 7.128 285 HD1 HIS 43 HD1 HIS 43 -10.305 9.138 6.695 286 HD2 HIS 43 HD2 HIS 43 -8.379 5.812 8.309 287 HE1 HIS 43 HE1 HIS 43 -8.183 9.995 7.775 288 H LEU 44 H LEU 44 -10.296 3.919 5.197 289 HA LEU 44 HA LEU 44 -7.439 4.020 4.972 290 HB2 LEU 44 1HB LEU 44 -9.415 1.834 4.272 291 HB3 LEU 44 2HB LEU 44 -7.668 1.605 4.323 292 HG LEU 44 HG LEU 44 -9.338 2.584 6.659 293 HD11 LEU 44 1HD1 LEU 44 -8.083 -0.148 6.346 294 HD12 LEU 44 2HD1 LEU 44 -9.755 0.182 5.890 295 HD13 LEU 44 3HD1 LEU 44 -9.242 0.382 7.565 296 HD21 LEU 44 3HD2 LEU 44 -7.182 3.331 7.140 297 HD22 LEU 44 1HD2 LEU 44 -6.408 2.027 6.241 298 HD23 LEU 44 2HD2 LEU 44 -7.110 1.713 7.829 299 H GLU 45 H GLU 45 -10.008 3.707 2.559 300 HA GLU 45 HA GLU 45 -8.350 3.217 0.299 301 HB2 GLU 45 1HB GLU 45 -11.036 4.575 0.577 302 HB3 GLU 45 2HB GLU 45 -10.292 4.246 -0.987 303 HG2 GLU 45 1HG GLU 45 -10.227 1.858 -0.494 304 HG3 GLU 45 2HG GLU 45 -10.855 2.147 1.126 305 H GLY 46 H GLY 46 -9.353 6.245 1.843 306 HA2 GLY 46 1HA GLY 46 -8.311 8.028 -0.136 307 HA3 GLY 46 2HA GLY 46 -8.557 8.434 1.562 308 H LYS 47 H LYS 47 -6.844 6.866 2.904 309 HA LYS 47 HA LYS 47 -4.268 8.059 2.391 310 HB2 LYS 47 1HB LYS 47 -5.181 5.831 4.214 311 HB3 LYS 47 2HB LYS 47 -3.505 6.377 4.158 312 HG2 LYS 47 1HG LYS 47 -4.243 8.674 4.707 313 HG3 LYS 47 2HG LYS 47 -5.913 8.111 4.784 314 HD2 LYS 47 1HD LYS 47 -5.364 6.609 6.629 315 HD3 LYS 47 2HD LYS 47 -3.661 7.055 6.519 316 HE2 LYS 47 1HE LYS 47 -4.236 9.394 7.062 317 HE3 LYS 47 2HE LYS 47 -5.937 8.947 7.183 318 HZ1 LYS 47 3HZ LYS 47 -3.698 8.023 8.893 319 HZ2 LYS 47 1HZ LYS 47 -5.236 7.307 8.914 320 HZ3 LYS 47 2HZ LYS 47 -5.053 8.936 9.361 321 H LEU 48 H LEU 48 -5.674 4.904 1.715 322 HA LEU 48 HA LEU 48 -3.306 3.568 0.886 323 HB2 LEU 48 1HB LEU 48 -5.565 2.504 1.289 324 HB3 LEU 48 2HB LEU 48 -6.082 3.185 -0.248 325 HG LEU 48 HG LEU 48 -4.080 1.990 -1.305 326 HD11 LEU 48 1HD1 LEU 48 -4.052 0.784 1.464 327 HD12 LEU 48 2HD1 LEU 48 -2.698 1.395 0.516 328 HD13 LEU 48 3HD1 LEU 48 -3.468 -0.123 0.071 329 HD21 LEU 48 3HD2 LEU 48 -6.269 1.131 -1.721 330 HD22 LEU 48 1HD2 LEU 48 -6.410 0.494 -0.082 331 HD23 LEU 48 2HD2 LEU 48 -5.296 -0.253 -1.226 332 H ALA 49 H ALA 49 -5.601 5.593 -0.889 333 HA ALA 49 HA ALA 49 -4.906 5.292 -3.529 334 HB1 ALA 49 3HB ALA 49 -5.096 7.981 -2.146 335 HB2 ALA 49 1HB ALA 49 -6.488 7.013 -2.630 336 HB3 ALA 49 2HB ALA 49 -5.395 7.660 -3.854 337 H GLU 50 H GLU 50 -2.928 6.784 -1.030 338 HA GLU 50 HA GLU 50 -0.904 7.844 -2.792 339 HB2 GLU 50 1HB GLU 50 -0.765 7.008 0.120 340 HB3 GLU 50 2HB GLU 50 0.484 7.930 -0.716 341 HG2 GLU 50 1HG GLU 50 -2.402 8.828 -0.470 342 HG3 GLU 50 2HG GLU 50 -1.112 9.351 0.614 343 H TYR 51 H TYR 51 -1.314 4.758 -1.112 344 HA TYR 51 HA TYR 51 1.254 3.655 -1.690 345 HB2 TYR 51 1HB TYR 51 -1.451 2.413 -1.187 346 HB3 TYR 51 2HB TYR 51 -0.014 1.430 -1.469 347 HD1 TYR 51 HD1 TYR 51 -1.128 4.360 0.603 348 HD2 TYR 51 HD2 TYR 51 1.281 0.808 0.385 349 HE1 TYR 51 HE1 TYR 51 -0.465 4.666 2.969 350 HE2 TYR 51 HE2 TYR 51 1.944 1.117 2.754 351 HH TYR 51 HH TYR 51 2.009 2.661 4.455 352 H ILE 52 H ILE 52 -1.818 3.470 -3.472 353 HA ILE 52 HA ILE 52 -0.824 1.825 -5.602 354 HB ILE 52 HB ILE 52 -3.099 3.824 -5.509 355 HG12 ILE 52 1HG1 ILE 52 -3.160 0.795 -5.472 356 HG13 ILE 52 2HG1 ILE 52 -3.155 1.774 -4.005 357 HG21 ILE 52 1HG2 ILE 52 -3.896 2.424 -7.522 358 HG22 ILE 52 2HG2 ILE 52 -2.229 1.866 -7.642 359 HG23 ILE 52 3HG2 ILE 52 -2.600 3.581 -7.820 360 HD11 ILE 52 3HD1 ILE 52 -5.227 1.899 -6.218 361 HD12 ILE 52 1HD1 ILE 52 -5.209 2.929 -4.786 362 HD13 ILE 52 2HD1 ILE 52 -5.459 1.191 -4.619 363 H SER 53 H SER 53 -1.110 5.360 -5.275 364 HA SER 53 HA SER 53 -0.146 6.021 -7.883 365 HB2 SER 53 1HB SER 53 0.053 7.550 -5.277 366 HB3 SER 53 2HB SER 53 0.390 8.238 -6.862 367 HG SER 53 HG SER 53 -1.718 8.007 -7.408 368 H LEU 54 H LEU 54 1.559 5.649 -4.787 369 HA LEU 54 HA LEU 54 4.172 6.262 -5.812 370 HB2 LEU 54 1HB LEU 54 3.268 4.653 -3.414 371 HB3 LEU 54 2HB LEU 54 4.956 5.041 -3.735 372 HG LEU 54 HG LEU 54 2.765 7.126 -3.492 373 HD11 LEU 54 1HD1 LEU 54 2.885 6.181 -1.328 374 HD12 LEU 54 2HD1 LEU 54 3.961 7.574 -1.247 375 HD13 LEU 54 3HD1 LEU 54 4.631 5.952 -1.427 376 HD21 LEU 54 3HD2 LEU 54 4.975 8.502 -2.954 377 HD22 LEU 54 1HD2 LEU 54 4.512 8.194 -4.625 378 HD23 LEU 54 2HD2 LEU 54 5.757 7.208 -3.859 379 H ALA 55 H ALA 55 2.379 3.235 -5.467 380 HA ALA 55 HA ALA 55 4.495 1.461 -6.177 381 HB1 ALA 55 3HB ALA 55 2.808 -0.180 -6.469 382 HB2 ALA 55 1HB ALA 55 1.607 1.020 -6.942 383 HB3 ALA 55 2HB ALA 55 2.138 0.920 -5.264 384 H LYS 56 H LYS 56 2.184 3.265 -8.158 385 HA LYS 56 HA LYS 56 2.894 2.091 -10.678 386 HB2 LYS 56 1HB LYS 56 1.767 4.798 -9.941 387 HB3 LYS 56 2HB LYS 56 1.967 4.258 -11.607 388 HG2 LYS 56 1HG LYS 56 0.482 2.375 -11.233 389 HG3 LYS 56 2HG LYS 56 0.385 2.743 -9.513 390 HD2 LYS 56 1HD LYS 56 -1.610 3.650 -10.437 391 HD3 LYS 56 2HD LYS 56 -0.543 5.035 -10.214 392 HE2 LYS 56 1HE LYS 56 0.024 5.081 -12.549 393 HE3 LYS 56 2HE LYS 56 -0.749 3.522 -12.833 394 HZ1 LYS 56 3HZ LYS 56 -1.934 6.158 -12.510 395 HZ2 LYS 56 1HZ LYS 56 -2.778 4.863 -11.810 396 HZ3 LYS 56 2HZ LYS 56 -2.431 4.850 -13.473 397 H GLN 57 H GLN 57 4.107 4.939 -8.939 398 HA GLN 57 HA GLN 57 5.964 5.742 -10.995 399 HB2 GLN 57 1HB GLN 57 5.906 6.273 -8.013 400 HB3 GLN 57 2HB GLN 57 7.018 7.061 -9.131 401 HG2 GLN 57 1HG GLN 57 3.999 7.148 -9.397 402 HG3 GLN 57 2HG GLN 57 4.960 8.417 -8.635 403 HE21 GLN 57 2HE2 GLN 57 6.591 9.536 -10.056 404 HE22 GLN 57 1HE2 GLN 57 6.324 9.598 -11.731 405 H VAL 58 H VAL 58 6.269 3.732 -8.083 406 HA VAL 58 HA VAL 58 9.094 3.280 -8.299 407 HB VAL 58 HB VAL 58 6.886 1.630 -7.044 408 HG11 VAL 58 1HG1 VAL 58 8.869 0.636 -5.744 409 HG12 VAL 58 2HG1 VAL 58 9.891 1.293 -7.023 410 HG13 VAL 58 3HG1 VAL 58 8.662 0.087 -7.406 411 HG21 VAL 58 3HG2 VAL 58 7.533 2.668 -4.997 412 HG22 VAL 58 1HG2 VAL 58 7.444 3.976 -6.177 413 HG23 VAL 58 2HG2 VAL 58 9.010 3.317 -5.709 414 H TYR 59 H TYR 59 6.293 1.404 -9.473 415 HA TYR 59 HA TYR 59 8.120 0.093 -11.453 416 HB2 TYR 59 1HB TYR 59 7.672 -1.440 -9.524 417 HB3 TYR 59 2HB TYR 59 5.951 -1.345 -9.904 418 HD1 TYR 59 HD2 TYR 59 5.079 -2.267 -12.023 419 HD2 TYR 59 HD1 TYR 59 9.209 -2.666 -10.931 420 HE1 TYR 59 HE2 TYR 59 5.364 -4.019 -13.756 421 HE2 TYR 59 HE1 TYR 59 9.501 -4.415 -12.666 422 HH TYR 59 HH TYR 59 6.744 -5.647 -14.511 423 H ALA 60 H ALA 60 7.386 0.471 -13.432 424 HA ALA 60 HA ALA 60 4.824 1.656 -13.974 425 HB1 ALA 60 3HB ALA 60 5.492 1.652 -16.249 426 HB2 ALA 60 1HB ALA 60 6.559 0.267 -16.014 427 HB3 ALA 60 2HB ALA 60 6.991 1.839 -15.337 428 H ASN 61 H ASN 61 2.974 0.775 -14.869 429 HA ASN 61 HA ASN 61 1.357 -0.868 -15.255 430 HB2 ASN 61 1HB ASN 61 3.013 -1.356 -17.116 431 HB3 ASN 61 2HB ASN 61 3.697 -2.610 -16.083 432 HD21 ASN 61 2HD2 ASN 61 2.545 -3.361 -18.520 433 HD22 ASN 61 1HD2 ASN 61 1.090 -4.188 -18.234 434 H VAL 62 H VAL 62 2.310 -0.621 -12.639 435 HA VAL 62 HA VAL 62 3.018 -3.172 -11.491 436 HB VAL 62 HB VAL 62 3.537 -1.073 -10.342 437 HG11 VAL 62 1HG1 VAL 62 1.814 0.332 -9.393 438 HG12 VAL 62 2HG1 VAL 62 0.550 -0.787 -9.900 439 HG13 VAL 62 3HG1 VAL 62 1.455 0.128 -11.107 440 HG21 VAL 62 3HG2 VAL 62 2.987 -1.793 -8.152 441 HG22 VAL 62 1HG2 VAL 62 3.003 -3.276 -9.104 442 HG23 VAL 62 2HG2 VAL 62 1.468 -2.518 -8.678 443 H GLU 63 H GLU 63 1.753 -4.750 -10.650 444 HA GLU 63 HA GLU 63 -1.209 -4.492 -11.044 445 HB2 GLU 63 1HB GLU 63 0.627 -6.898 -11.077 446 HB3 GLU 63 2HB GLU 63 -1.135 -7.015 -11.098 447 HG2 GLU 63 1HG GLU 63 -1.218 -5.689 -13.161 448 HG3 GLU 63 2HG GLU 63 0.535 -5.508 -13.132 449 H TYR 64 H TYR 64 -2.522 -4.814 -9.310 450 HA TYR 64 HA TYR 64 -1.427 -6.027 -6.838 451 HB2 TYR 64 1HB TYR 64 -2.165 -4.120 -5.460 452 HB3 TYR 64 2HB TYR 64 -0.926 -3.626 -6.611 453 HD1 TYR 64 HD2 TYR 64 -4.511 -3.453 -5.763 454 HD2 TYR 64 HD1 TYR 64 -1.458 -2.190 -8.509 455 HE1 TYR 64 HE2 TYR 64 -6.046 -1.734 -6.679 456 HE2 TYR 64 HE1 TYR 64 -2.993 -0.469 -9.422 457 HH TYR 64 HH TYR 64 -5.878 -0.389 -9.412 458 H GLU 65 H GLU 65 -3.141 -6.458 -5.262 459 HA GLU 65 HA GLU 65 -5.921 -6.374 -6.307 460 HB2 GLU 65 1HB GLU 65 -4.969 -8.542 -7.050 461 HB3 GLU 65 2HB GLU 65 -4.551 -8.916 -5.376 462 HG2 GLU 65 1HG GLU 65 -6.911 -8.827 -4.733 463 HG3 GLU 65 2HG GLU 65 -7.361 -8.362 -6.374 464 H VAL 66 H VAL 66 -7.481 -6.513 -4.620 465 HA VAL 66 HA VAL 66 -6.358 -6.146 -1.863 466 HB VAL 66 HB VAL 66 -8.976 -5.172 -3.025 467 HG11 VAL 66 1HG1 VAL 66 -8.970 -3.825 -0.873 468 HG12 VAL 66 2HG1 VAL 66 -7.642 -4.848 -0.327 469 HG13 VAL 66 3HG1 VAL 66 -9.220 -5.559 -0.665 470 HG21 VAL 66 3HG2 VAL 66 -6.296 -3.860 -2.529 471 HG22 VAL 66 1HG2 VAL 66 -7.782 -2.914 -2.606 472 HG23 VAL 66 2HG2 VAL 66 -7.259 -3.853 -4.004 473 H ALA 67 H ALA 67 -6.885 -7.607 -0.371 474 HA ALA 67 HA ALA 67 -8.571 -9.857 -1.102 475 HB1 ALA 67 3HB ALA 67 -6.420 -9.513 0.605 476 HB2 ALA 67 1HB ALA 67 -7.445 -10.947 0.568 477 HB3 ALA 67 2HB ALA 67 -7.762 -9.663 1.736 478 HA PRO 68 HA PRO 68 -12.462 -8.865 0.738 479 HB2 PRO 68 1HB PRO 68 -12.079 -10.982 2.830 480 HB3 PRO 68 2HB PRO 68 -13.421 -10.755 1.690 481 HG2 PRO 68 1HG PRO 68 -11.632 -12.666 1.290 482 HG3 PRO 68 2HG PRO 68 -12.256 -11.712 -0.070 483 HD2 PRO 68 1HD PRO 68 -9.602 -11.495 1.317 484 HD3 PRO 68 2HD PRO 68 -9.997 -11.346 -0.408 485 H VAL 69 H VAL 69 -12.718 -7.016 1.898 486 HA VAL 69 HA VAL 69 -11.664 -6.914 4.702 487 HB VAL 69 HB VAL 69 -11.488 -4.750 2.594 488 HG11 VAL 69 1HG1 VAL 69 -10.365 -3.491 4.526 489 HG12 VAL 69 2HG1 VAL 69 -11.106 -4.685 5.590 490 HG13 VAL 69 3HG1 VAL 69 -12.120 -3.635 4.604 491 HG21 VAL 69 3HG2 VAL 69 -9.305 -5.956 4.307 492 HG22 VAL 69 1HG2 VAL 69 -9.125 -4.974 2.853 493 HG23 VAL 69 2HG2 VAL 69 -9.736 -6.624 2.731 494 H ALA 70 H ALA 70 -13.137 -6.237 6.153 495 HA ALA 70 HA ALA 70 -15.869 -5.703 5.279 496 HB1 ALA 70 3HB ALA 70 -16.466 -5.960 7.531 497 HB2 ALA 70 1HB ALA 70 -14.908 -5.376 8.114 498 HB3 ALA 70 2HB ALA 70 -15.035 -6.981 7.401 499 H ASP 71 H ASP 71 -17.075 -3.799 5.922 500 HA ASP 71 HA ASP 71 -15.775 -1.332 5.271 501 HB2 ASP 71 1HB ASP 71 -18.455 -2.115 6.392 502 HB3 ASP 71 2HB ASP 71 -18.006 -0.411 6.347 503 H ASN 72 H ASN 72 -16.617 -2.844 8.351 504 HA ASN 72 HA ASN 72 -15.364 -0.556 9.814 505 HB2 ASN 72 1HB ASN 72 -17.688 -1.340 10.437 506 HB3 ASN 72 2HB ASN 72 -16.962 -2.863 10.952 507 HD21 ASN 72 2HD2 ASN 72 -15.742 0.504 11.343 508 HD22 ASN 72 1HD2 ASN 72 -15.652 0.432 13.036 509 H ALA 73 H ALA 73 -13.902 -2.678 8.315 510 HA ALA 73 HA ALA 73 -12.745 -4.503 10.258 511 HB1 ALA 73 3HB ALA 73 -12.594 -5.199 7.980 512 HB2 ALA 73 1HB ALA 73 -10.954 -4.710 8.396 513 HB3 ALA 73 2HB ALA 73 -11.988 -3.628 7.464 514 H THR 74 H THR 74 -12.426 -1.194 9.684 515 HA THR 74 HA THR 74 -10.842 0.415 10.339 516 HB THR 74 HB THR 74 -9.912 0.066 12.573 517 HG1 THR 74 HG1 THR 74 -9.715 -1.886 13.424 518 HG21 THR 74 3HG2 THR 74 -12.700 -1.039 12.167 519 HG22 THR 74 1HG2 THR 74 -12.251 0.625 12.538 520 HG23 THR 74 2HG2 THR 74 -12.039 -0.638 13.751 521 H GLU 75 H GLU 75 -9.979 -2.213 8.779 522 HA GLU 75 HA GLU 75 -7.176 -1.352 8.551 523 HB2 GLU 75 1HB GLU 75 -7.114 -3.025 10.387 524 HB3 GLU 75 2HB GLU 75 -7.857 -4.208 9.309 525 HG2 GLU 75 1HG GLU 75 -5.958 -4.065 7.779 526 HG3 GLU 75 2HG GLU 75 -5.228 -2.796 8.763 527 H LEU 76 H LEU 76 -6.204 -2.138 6.620 528 HA LEU 76 HA LEU 76 -8.037 -3.550 4.720 529 HB2 LEU 76 1HB LEU 76 -8.105 -1.152 4.244 530 HB3 LEU 76 2HB LEU 76 -6.346 -1.101 4.162 531 HG LEU 76 HG LEU 76 -7.588 -3.159 2.400 532 HD11 LEU 76 1HD1 LEU 76 -8.179 -1.403 0.673 533 HD12 LEU 76 2HD1 LEU 76 -8.097 -0.209 1.970 534 HD13 LEU 76 3HD1 LEU 76 -9.284 -1.511 2.044 535 HD21 LEU 76 3HD2 LEU 76 -5.870 -2.500 0.897 536 HD22 LEU 76 1HD2 LEU 76 -5.131 -2.357 2.489 537 HD23 LEU 76 2HD2 LEU 76 -5.699 -0.916 1.648 538 H HIS 77 H HIS 77 -7.052 -5.133 3.582 539 HA HIS 77 HA HIS 77 -4.065 -5.362 3.770 540 HB2 HIS 77 1HB HIS 77 -5.404 -7.077 5.054 541 HB3 HIS 77 2HB HIS 77 -6.047 -7.633 3.509 542 HD1 HIS 77 HD1 HIS 77 -2.673 -7.071 5.182 543 HD2 HIS 77 HD2 HIS 77 -4.386 -9.435 2.207 544 HE1 HIS 77 HE1 HIS 77 -0.878 -8.692 4.435 545 H ALA 78 H ALA 78 -3.052 -5.297 1.861 546 HA ALA 78 HA ALA 78 -4.421 -6.291 -0.585 547 HB1 ALA 78 3HB ALA 78 -4.926 -3.940 -0.660 548 HB2 ALA 78 1HB ALA 78 -3.613 -4.223 -1.800 549 HB3 ALA 78 2HB ALA 78 -3.273 -3.514 -0.222 550 H ARG 79 H ARG 79 -2.859 -6.506 -2.394 551 HA ARG 79 HA ARG 79 -0.041 -6.897 -1.440 552 HB2 ARG 79 1HB ARG 79 -1.731 -8.666 -3.223 553 HB3 ARG 79 2HB ARG 79 0.015 -8.845 -3.042 554 HG2 ARG 79 1HG ARG 79 -0.249 -9.196 -0.630 555 HG3 ARG 79 2HG ARG 79 -1.992 -8.961 -0.771 556 HD2 ARG 79 1HD ARG 79 -2.141 -10.918 -2.261 557 HD3 ARG 79 2HD ARG 79 -0.399 -11.145 -2.141 558 HE ARG 79 HE ARG 79 -0.685 -11.989 0.068 559 HH11 ARG 79 1HH2 ARG 79 -3.594 -10.668 -1.250 560 HH12 ARG 79 2HH2 ARG 79 -4.605 -11.345 -0.020 561 HH21 ARG 79 1HH1 ARG 79 -1.993 -12.873 1.666 562 HH22 ARG 79 2HH1 ARG 79 -3.703 -12.592 1.630 563 H PHE 80 H PHE 80 1.555 -6.330 -2.904 564 HA PHE 80 HA PHE 80 0.669 -5.137 -5.509 565 HB2 PHE 80 1HB PHE 80 2.589 -4.023 -3.455 566 HB3 PHE 80 2HB PHE 80 2.519 -3.441 -5.119 567 HD1 PHE 80 HD1 PHE 80 0.504 -3.918 -2.026 568 HD2 PHE 80 HD2 PHE 80 0.790 -1.974 -5.843 569 HE1 PHE 80 HE1 PHE 80 -1.436 -2.486 -1.442 570 HE2 PHE 80 HE2 PHE 80 -1.151 -0.545 -5.263 571 HZ PHE 80 HZ PHE 80 -2.265 -0.799 -3.063 572 H LYS 81 H LYS 81 2.206 -5.270 -7.187 573 HA LYS 81 HA LYS 81 4.244 -7.424 -6.798 574 HB2 LYS 81 1HB LYS 81 2.487 -7.843 -8.486 575 HB3 LYS 81 2HB LYS 81 2.970 -6.375 -9.337 576 HG2 LYS 81 1HG LYS 81 5.195 -7.285 -9.742 577 HG3 LYS 81 2HG LYS 81 4.816 -8.715 -8.782 578 HD2 LYS 81 1HD LYS 81 3.020 -9.300 -10.382 579 HD3 LYS 81 2HD LYS 81 3.437 -7.886 -11.351 580 HE2 LYS 81 1HE LYS 81 5.327 -10.168 -10.701 581 HE3 LYS 81 2HE LYS 81 4.488 -9.955 -12.238 582 HZ1 LYS 81 3HZ LYS 81 5.781 -7.555 -11.537 583 HZ2 LYS 81 1HZ LYS 81 6.048 -8.548 -12.886 584 HZ3 LYS 81 2HZ LYS 81 6.902 -8.829 -11.444 585 H PHE 82 H PHE 82 6.357 -7.024 -7.207 586 HA PHE 82 HA PHE 82 7.142 -4.388 -8.392 587 HB2 PHE 82 1HB PHE 82 8.216 -5.691 -5.876 588 HB3 PHE 82 2HB PHE 82 9.012 -4.348 -6.698 589 HD1 PHE 82 HD2 PHE 82 7.706 -2.204 -7.073 590 HD2 PHE 82 HD1 PHE 82 6.410 -5.294 -4.389 591 HE1 PHE 82 HE2 PHE 82 6.216 -0.585 -5.933 592 HE2 PHE 82 HE1 PHE 82 4.917 -3.676 -3.247 593 HZ PHE 82 HZ PHE 82 4.822 -1.320 -4.019 594 H GLU 83 H GLU 83 9.869 -5.779 -7.286 595 HA GLU 83 HA GLU 83 10.227 -7.804 -9.390 596 HB2 GLU 83 1HB GLU 83 10.662 -5.576 -10.498 597 HB3 GLU 83 2HB GLU 83 11.948 -5.308 -9.323 598 HG2 GLU 83 1HG GLU 83 12.970 -6.196 -11.316 599 HG3 GLU 83 2HG GLU 83 12.996 -7.473 -10.101 600 H VAL 84 H VAL 84 11.583 -5.849 -6.766 601 HA VAL 84 HA VAL 84 13.151 -8.245 -5.894 602 HB VAL 84 HB VAL 84 15.026 -6.740 -5.257 603 HG11 VAL 84 1HG1 VAL 84 15.913 -6.500 -7.500 604 HG12 VAL 84 2HG1 VAL 84 14.288 -6.519 -8.189 605 HG13 VAL 84 3HG1 VAL 84 14.947 -7.975 -7.443 606 HG21 VAL 84 3HG2 VAL 84 15.068 -4.458 -6.233 607 HG22 VAL 84 1HG2 VAL 84 13.751 -4.643 -5.075 608 HG23 VAL 84 2HG2 VAL 84 13.415 -4.683 -6.806 609 H SER 85 H SER 85 13.773 -8.130 -3.607 610 HA SER 85 HA SER 85 11.564 -7.316 -1.933 611 HB2 SER 85 1HB SER 85 13.031 -8.086 -0.084 612 HB3 SER 85 2HB SER 85 12.974 -9.261 -1.395 613 HG SER 85 HG SER 85 15.011 -8.880 -1.818 614 H ALA 86 H ALA 86 14.427 -5.751 -3.043 615 HA ALA 86 HA ALA 86 14.854 -3.887 -0.916 616 HB1 ALA 86 3HB ALA 86 16.331 -4.368 -2.976 617 HB2 ALA 86 1HB ALA 86 16.203 -2.686 -2.463 618 HB3 ALA 86 2HB ALA 86 15.267 -3.261 -3.843 619 H GLU 87 H GLU 87 12.699 -3.846 -3.715 620 HA GLU 87 HA GLU 87 11.759 -1.136 -3.293 621 HB2 GLU 87 1HB GLU 87 10.556 -3.482 -4.790 622 HB3 GLU 87 2HB GLU 87 9.914 -1.841 -4.843 623 HG2 GLU 87 1HG GLU 87 12.745 -2.587 -5.627 624 HG3 GLU 87 2HG GLU 87 11.422 -2.377 -6.774 625 H LYS 88 H LYS 88 10.926 -4.275 -2.029 626 HA LYS 88 HA LYS 88 8.295 -3.696 -1.070 627 HB2 LYS 88 1HB LYS 88 9.369 -5.965 -1.179 628 HB3 LYS 88 2HB LYS 88 10.371 -5.502 0.196 629 HG2 LYS 88 1HG LYS 88 8.270 -5.058 1.501 630 HG3 LYS 88 2HG LYS 88 7.347 -5.700 0.146 631 HD2 LYS 88 1HD LYS 88 9.514 -7.240 1.602 632 HD3 LYS 88 2HD LYS 88 7.794 -7.388 1.956 633 HE2 LYS 88 1HE LYS 88 7.532 -7.910 -0.572 634 HE3 LYS 88 2HE LYS 88 9.269 -8.186 -0.551 635 HZ1 LYS 88 3HZ LYS 88 7.332 -9.521 1.254 636 HZ2 LYS 88 1HZ LYS 88 8.997 -9.829 1.150 637 HZ3 LYS 88 2HZ LYS 88 7.980 -10.214 -0.155 638 H LEU 89 H LEU 89 11.455 -3.539 0.590 639 HA LEU 89 HA LEU 89 10.405 -2.447 3.032 640 HB2 LEU 89 1HB LEU 89 13.128 -2.565 1.764 641 HB3 LEU 89 2HB LEU 89 12.893 -1.641 3.245 642 HG LEU 89 HG LEU 89 13.627 -4.021 3.618 643 HD11 LEU 89 1HD1 LEU 89 12.418 -4.196 5.574 644 HD12 LEU 89 2HD1 LEU 89 10.872 -3.881 4.789 645 HD13 LEU 89 3HD1 LEU 89 11.966 -2.546 5.153 646 HD21 LEU 89 3HD2 LEU 89 12.190 -4.839 1.643 647 HD22 LEU 89 1HD2 LEU 89 10.827 -4.772 2.759 648 HD23 LEU 89 2HD2 LEU 89 12.186 -5.843 3.093 649 H ILE 90 H ILE 90 11.847 -0.915 0.175 650 HA ILE 90 HA ILE 90 11.669 1.768 1.187 651 HB ILE 90 HB ILE 90 11.789 0.686 -1.636 652 HG12 ILE 90 1HG1 ILE 90 13.911 2.071 0.025 653 HG13 ILE 90 2HG1 ILE 90 13.743 0.317 -0.054 654 HG21 ILE 90 1HG2 ILE 90 12.539 3.070 -2.162 655 HG22 ILE 90 2HG2 ILE 90 11.900 3.525 -0.582 656 HG23 ILE 90 3HG2 ILE 90 10.821 2.874 -1.816 657 HD11 ILE 90 3HD1 ILE 90 14.099 0.350 -2.468 658 HD12 ILE 90 1HD1 ILE 90 15.427 1.198 -1.675 659 HD13 ILE 90 2HD1 ILE 90 14.144 2.113 -2.466 660 H PHE 91 H PHE 91 9.512 -0.178 -0.860 661 HA PHE 91 HA PHE 91 7.567 1.854 -1.340 662 HB2 PHE 91 1HB PHE 91 7.622 -0.300 -2.561 663 HB3 PHE 91 2HB PHE 91 7.145 -1.134 -1.083 664 HD1 PHE 91 HD2 PHE 91 6.069 1.658 -3.330 665 HD2 PHE 91 HD1 PHE 91 4.855 -1.432 -0.606 666 HE1 PHE 91 HE2 PHE 91 3.693 2.152 -3.826 667 HE2 PHE 91 HE1 PHE 91 2.477 -0.936 -1.105 668 HZ PHE 91 HZ PHE 91 1.895 0.857 -2.716 669 H GLU 92 H GLU 92 7.738 -0.628 1.209 670 HA GLU 92 HA GLU 92 5.312 0.210 2.514 671 HB2 GLU 92 1HB GLU 92 6.668 -2.003 2.768 672 HB3 GLU 92 2HB GLU 92 7.618 -1.105 3.948 673 HG2 GLU 92 1HG GLU 92 4.599 -1.387 4.054 674 HG3 GLU 92 2HG GLU 92 5.727 -2.383 4.974 675 H LEU 93 H LEU 93 8.743 0.800 3.320 676 HA LEU 93 HA LEU 93 8.196 2.537 5.524 677 HB2 LEU 93 1HB LEU 93 10.433 1.398 4.708 678 HB3 LEU 93 2HB LEU 93 10.637 2.887 3.791 679 HG LEU 93 HG LEU 93 10.155 2.747 6.781 680 HD11 LEU 93 1HD1 LEU 93 12.341 1.895 6.405 681 HD12 LEU 93 2HD1 LEU 93 12.566 3.591 6.832 682 HD13 LEU 93 3HD1 LEU 93 12.675 3.085 5.146 683 HD21 LEU 93 3HD2 LEU 93 9.393 4.866 6.204 684 HD22 LEU 93 1HD2 LEU 93 10.468 5.000 4.811 685 HD23 LEU 93 2HD2 LEU 93 11.102 5.211 6.444 686 H LYS 94 H LYS 94 8.910 3.246 2.109 687 HA LYS 94 HA LYS 94 8.776 6.089 2.335 688 HB2 LYS 94 1HB LYS 94 9.712 4.843 0.376 689 HB3 LYS 94 2HB LYS 94 8.065 4.396 -0.072 690 HG2 LYS 94 1HG LYS 94 7.451 6.749 -0.308 691 HG3 LYS 94 2HG LYS 94 9.061 7.242 0.218 692 HD2 LYS 94 1HD LYS 94 10.050 6.084 -1.733 693 HD3 LYS 94 2HD LYS 94 8.435 5.613 -2.264 694 HE2 LYS 94 1HE LYS 94 9.397 7.692 -3.375 695 HE3 LYS 94 2HE LYS 94 7.798 7.882 -2.655 696 HZ1 LYS 94 3HZ LYS 94 10.065 8.408 -0.912 697 HZ2 LYS 94 1HZ LYS 94 8.583 9.224 -1.041 698 HZ3 LYS 94 2HZ LYS 94 9.819 9.529 -2.166 699 H THR 95 H THR 95 6.280 3.723 1.394 700 HA THR 95 HA THR 95 4.204 5.690 1.048 701 HB THR 95 HB THR 95 2.672 3.727 1.182 702 HG1 THR 95 HG1 THR 95 4.060 1.683 1.296 703 HG21 THR 95 3HG2 THR 95 4.024 2.330 -0.612 704 HG22 THR 95 1HG2 THR 95 5.136 3.696 -0.538 705 HG23 THR 95 2HG2 THR 95 3.455 3.950 -0.998 706 H ARG 96 H ARG 96 5.167 3.625 3.761 707 HA ARG 96 HA ARG 96 3.050 4.424 5.522 708 HB2 ARG 96 1HB ARG 96 4.592 2.433 5.827 709 HB3 ARG 96 2HB ARG 96 5.851 3.571 6.298 710 HG2 ARG 96 1HG ARG 96 4.982 3.004 8.387 711 HG3 ARG 96 2HG ARG 96 4.022 4.434 8.014 712 HD2 ARG 96 1HD ARG 96 2.234 2.958 7.102 713 HD3 ARG 96 2HD ARG 96 3.188 1.551 7.558 714 HE ARG 96 HE ARG 96 1.707 3.311 9.385 715 HH11 ARG 96 1HH2 ARG 96 4.152 0.914 8.931 716 HH12 ARG 96 2HH2 ARG 96 4.079 0.352 10.567 717 HH21 ARG 96 1HH1 ARG 96 1.600 2.587 11.501 718 HH22 ARG 96 2HH1 ARG 96 2.633 1.299 12.022 719 H ALA 97 H ALA 97 6.329 5.664 4.988 720 HA ALA 97 HA ALA 97 6.397 7.580 7.074 721 HB1 ALA 97 3HB ALA 97 8.316 6.944 5.573 722 HB2 ALA 97 1HB ALA 97 8.126 8.685 5.787 723 HB3 ALA 97 2HB ALA 97 7.567 7.913 4.304 724 H LEU 98 H LEU 98 5.077 7.777 3.792 725 HA LEU 98 HA LEU 98 4.391 10.555 3.859 726 HB2 LEU 98 1HB LEU 98 4.387 8.768 1.893 727 HB3 LEU 98 2HB LEU 98 2.699 8.579 2.354 728 HG LEU 98 HG LEU 98 4.038 11.199 1.621 729 HD11 LEU 98 1HD1 LEU 98 3.800 9.942 -0.378 730 HD12 LEU 98 2HD1 LEU 98 2.405 11.019 -0.340 731 HD13 LEU 98 3HD1 LEU 98 2.219 9.322 0.104 732 HD21 LEU 98 3HD2 LEU 98 1.467 11.827 1.497 733 HD22 LEU 98 1HD2 LEU 98 2.315 11.860 3.040 734 HD23 LEU 98 2HD2 LEU 98 1.293 10.482 2.627 735 H ALA 99 H ALA 99 2.571 7.638 4.734 736 HA ALA 99 HA ALA 99 0.071 8.849 5.291 737 HB1 ALA 99 3HB ALA 99 -0.455 6.867 6.504 738 HB2 ALA 99 1HB ALA 99 1.239 6.572 6.894 739 HB3 ALA 99 2HB ALA 99 0.667 6.357 5.240 740 H ARG 100 H ARG 100 2.789 8.218 7.513 741 HA ARG 100 HA ARG 100 1.470 9.664 9.689 742 HB2 ARG 100 1HB ARG 100 3.563 9.218 10.923 743 HB3 ARG 100 2HB ARG 100 2.970 7.750 10.147 744 HG2 ARG 100 1HG ARG 100 4.514 8.151 8.250 745 HG3 ARG 100 2HG ARG 100 5.156 9.567 9.081 746 HD2 ARG 100 1HD ARG 100 6.640 7.697 9.526 747 HD3 ARG 100 2HD ARG 100 5.770 8.074 11.013 748 HE ARG 100 HE ARG 100 4.311 6.089 9.565 749 HH11 ARG 100 1HH2 ARG 100 7.239 6.565 11.335 750 HH12 ARG 100 2HH2 ARG 100 7.336 4.919 11.863 751 HH21 ARG 100 1HH1 ARG 100 4.430 3.949 10.247 752 HH22 ARG 100 2HH1 ARG 100 5.749 3.441 11.249 753 H LEU 101 H LEU 101 3.537 10.453 7.046 754 HA LEU 101 HA LEU 101 4.398 12.988 8.331 755 HB2 LEU 101 1HB LEU 101 6.063 11.648 7.059 756 HB3 LEU 101 2HB LEU 101 5.104 11.890 5.602 757 HG LEU 101 HG LEU 101 5.365 14.350 5.859 758 HD11 LEU 101 1HD1 LEU 101 5.735 14.839 8.101 759 HD12 LEU 101 2HD1 LEU 101 7.383 14.926 7.490 760 HD13 LEU 101 3HD1 LEU 101 6.833 13.477 8.333 761 HD21 LEU 101 3HD2 LEU 101 8.033 12.906 5.892 762 HD22 LEU 101 1HD2 LEU 101 7.662 14.441 5.105 763 HD23 LEU 101 2HD2 LEU 101 6.951 12.945 4.499 764 H GLU 102 H GLU 102 3.342 14.833 7.985 765 HA GLU 102 HA GLU 102 0.938 14.989 6.474 766 HB2 GLU 102 1HB GLU 102 2.772 17.172 7.501 767 HB3 GLU 102 2HB GLU 102 1.164 17.467 6.840 768 HG2 GLU 102 1HG GLU 102 1.752 15.661 9.207 769 HG3 GLU 102 2HG GLU 102 1.159 17.317 9.333 770 H HIS 103 H HIS 103 0.472 16.152 4.561 771 HA HIS 103 HA HIS 103 2.185 15.649 2.359 772 HB2 HIS 103 1HB HIS 103 -0.254 16.033 2.164 773 HB3 HIS 103 2HB HIS 103 -0.014 17.722 2.614 774 HD1 HIS 103 HD1 HIS 103 1.262 15.296 -0.040 775 HD2 HIS 103 HD2 HIS 103 0.412 19.349 0.425 776 HE1 HIS 103 HE1 HIS 103 1.657 16.374 -2.298 777 H HIS 104 H HIS 104 1.685 18.633 4.243 778 HA HIS 104 HA HIS 104 3.680 20.064 2.618 779 HB2 HIS 104 1HB HIS 104 3.159 21.982 4.021 780 HB3 HIS 104 2HB HIS 104 1.661 21.212 3.503 781 HD1 HIS 104 HD1 HIS 104 0.455 19.650 5.316 782 HD2 HIS 104 HD2 HIS 104 3.518 22.064 6.792 783 HE1 HIS 104 HE1 HIS 104 0.186 19.690 7.834 784 H HIS 105 H HIS 105 5.798 19.935 3.017 785 HA HIS 105 HA HIS 105 6.814 19.858 5.790 786 HB2 HIS 105 1HB HIS 105 6.546 17.462 5.165 787 HB3 HIS 105 2HB HIS 105 7.557 17.744 3.747 788 HD1 HIS 105 HD1 HIS 105 10.094 18.074 4.120 789 HD2 HIS 105 HD2 HIS 105 7.958 17.505 7.654 790 HE1 HIS 105 HE1 HIS 105 11.812 17.685 5.941 791 H HIS 106 H HIS 106 8.327 19.020 2.668 792 HA HIS 106 HA HIS 106 9.627 21.665 2.522 793 HB2 HIS 106 1HB HIS 106 11.067 20.349 4.078 794 HB3 HIS 106 2HB HIS 106 11.289 19.146 2.808 795 HD1 HIS 106 HD1 HIS 106 13.063 19.617 1.075 796 HD2 HIS 106 HD2 HIS 106 12.144 22.994 3.340 797 HE1 HIS 106 HE1 HIS 106 14.729 21.405 0.406 798 H HIS 107 H HIS 107 10.967 21.840 0.524 799 HA HIS 107 HA HIS 107 9.577 20.873 -1.777 800 HB2 HIS 107 1HB HIS 107 12.350 22.040 -1.432 801 HB3 HIS 107 2HB HIS 107 11.622 21.722 -3.005 802 HD1 HIS 107 HD1 HIS 107 11.248 23.914 0.044 803 HD2 HIS 107 HD2 HIS 107 9.619 23.561 -3.778 804 HE1 HIS 107 HE1 HIS 107 9.855 25.996 -0.338 805 H HIS 108 H HIS 108 12.574 19.781 -0.213 806 HA HIS 108 HA HIS 108 13.425 17.881 -2.110 807 HB2 HIS 108 1HB HIS 108 14.738 18.495 -0.117 808 HB3 HIS 108 2HB HIS 108 13.559 17.681 0.912 809 HD1 HIS 108 HD1 HIS 108 15.887 16.857 -1.990 810 HD2 HIS 108 HD2 HIS 108 14.090 14.987 1.274 811 HE1 HIS 108 HE1 HIS 108 16.800 14.496 -1.926 Start of MODEL 3 1 H1 MET 1 1H MET 1 28.080 2.186 8.500 2 H2 MET 1 2H MET 1 28.942 2.090 9.962 3 H3 MET 1 3H MET 1 29.588 1.411 8.545 4 HA MET 1 HA MET 1 29.950 3.992 9.539 5 HB2 MET 1 1HB MET 1 30.740 2.616 6.954 6 HB3 MET 1 2HB MET 1 31.412 4.152 7.500 7 HG2 MET 1 1HG MET 1 31.540 1.556 9.065 8 HG3 MET 1 2HG MET 1 32.861 2.210 8.101 9 HE1 MET 1 3HE MET 1 32.633 5.586 8.924 10 HE2 MET 1 1HE MET 1 33.718 4.378 8.226 11 HE3 MET 1 2HE MET 1 34.151 5.193 9.725 12 H SER 2 H SER 2 29.677 6.024 8.432 13 HA SER 2 HA SER 2 27.052 6.375 7.296 14 HB2 SER 2 1HB SER 2 27.762 8.726 7.008 15 HB3 SER 2 2HB SER 2 28.178 8.130 8.611 16 HG SER 2 HG SER 2 29.785 8.988 6.595 17 H ASN 3 H ASN 3 30.089 5.517 5.956 18 HA ASN 3 HA ASN 3 29.857 6.650 3.342 19 HB2 ASN 3 1HB ASN 3 31.232 4.150 4.357 20 HB3 ASN 3 2HB ASN 3 31.377 4.720 2.694 21 HD21 ASN 3 2HD2 ASN 3 33.643 4.593 4.468 22 HD22 ASN 3 1HD2 ASN 3 34.167 6.179 4.767 23 H GLN 4 H GLN 4 28.689 3.583 4.720 24 HA GLN 4 HA GLN 4 26.619 3.459 2.643 25 HB2 GLN 4 1HB GLN 4 28.801 2.309 1.776 26 HB3 GLN 4 2HB GLN 4 28.391 1.027 2.915 27 HG2 GLN 4 1HG GLN 4 26.555 2.083 0.739 28 HG3 GLN 4 2HG GLN 4 27.468 0.575 0.656 29 HE21 GLN 4 2HE2 GLN 4 24.406 1.594 1.215 30 HE22 GLN 4 1HE2 GLN 4 23.897 0.432 2.345 31 H THR 5 H THR 5 25.011 3.395 4.147 32 HA THR 5 HA THR 5 25.151 1.987 6.639 33 HB THR 5 HB THR 5 22.678 2.816 5.098 34 HG1 THR 5 HG1 THR 5 23.689 4.367 7.143 35 HG21 THR 5 3HG2 THR 5 21.736 3.005 7.412 36 HG22 THR 5 1HG2 THR 5 23.219 2.275 8.028 37 HG23 THR 5 2HG2 THR 5 22.161 1.354 6.961 38 H CYS 6 H CYS 6 24.674 -0.102 7.138 39 HA CYS 6 HA CYS 6 23.241 -1.794 5.138 40 HB2 CYS 6 1HB CYS 6 24.886 -3.589 5.442 41 HB3 CYS 6 2HB CYS 6 25.688 -2.137 4.843 42 HG CYS 6 HG CYS 6 26.781 -1.773 7.104 43 H VAL 7 H VAL 7 21.532 -2.626 6.201 44 HA VAL 7 HA VAL 7 21.750 -3.121 9.152 45 HB VAL 7 HB VAL 7 19.234 -3.037 9.079 46 HG11 VAL 7 1HG1 VAL 7 20.820 -0.633 8.137 47 HG12 VAL 7 2HG1 VAL 7 20.485 -1.093 9.805 48 HG13 VAL 7 3HG1 VAL 7 19.173 -0.542 8.763 49 HG21 VAL 7 3HG2 VAL 7 18.872 -3.540 6.722 50 HG22 VAL 7 1HG2 VAL 7 19.799 -2.120 6.239 51 HG23 VAL 7 2HG2 VAL 7 18.251 -1.925 7.055 52 H GLU 8 H GLU 8 21.569 -5.166 9.862 53 HA GLU 8 HA GLU 8 21.620 -7.388 8.082 54 HB2 GLU 8 1HB GLU 8 21.001 -7.231 11.051 55 HB3 GLU 8 2HB GLU 8 21.227 -8.742 10.175 56 HG2 GLU 8 1HG GLU 8 23.379 -8.346 11.017 57 HG3 GLU 8 2HG GLU 8 23.496 -7.662 9.399 58 H ASN 9 H ASN 9 20.013 -8.654 7.257 59 HA ASN 9 HA ASN 9 17.260 -7.676 7.479 60 HB2 ASN 9 1HB ASN 9 18.517 -9.954 5.927 61 HB3 ASN 9 2HB ASN 9 16.811 -9.520 5.825 62 HD21 ASN 9 2HD2 ASN 9 17.363 -6.587 6.087 63 HD22 ASN 9 1HD2 ASN 9 18.033 -6.110 4.604 64 H GLU 10 H GLU 10 15.488 -8.920 8.238 65 HA GLU 10 HA GLU 10 16.083 -11.445 9.682 66 HB2 GLU 10 1HB GLU 10 14.633 -10.431 11.622 67 HB3 GLU 10 2HB GLU 10 16.342 -10.018 11.530 68 HG2 GLU 10 1HG GLU 10 14.231 -8.314 10.201 69 HG3 GLU 10 2HG GLU 10 14.690 -8.075 11.885 70 H VAL 11 H VAL 11 14.748 -12.579 8.267 71 HA VAL 11 HA VAL 11 11.939 -11.632 7.912 72 HB VAL 11 HB VAL 11 11.821 -13.358 6.143 73 HG11 VAL 11 1HG1 VAL 11 13.378 -12.280 4.582 74 HG12 VAL 11 2HG1 VAL 11 14.286 -11.600 5.933 75 HG13 VAL 11 3HG1 VAL 11 12.632 -11.070 5.625 76 HG21 VAL 11 3HG2 VAL 11 13.290 -15.065 6.921 77 HG22 VAL 11 1HG2 VAL 11 14.632 -13.937 7.106 78 HG23 VAL 11 2HG2 VAL 11 14.084 -14.397 5.496 79 H CYS 12 H CYS 12 10.306 -12.624 8.965 80 HA CYS 12 HA CYS 12 10.605 -15.404 9.940 81 HB2 CYS 12 1HB CYS 12 10.124 -14.871 12.230 82 HB3 CYS 12 2HB CYS 12 11.429 -13.788 11.747 83 HG CYS 12 HG CYS 12 8.784 -12.857 12.733 84 H GLU 13 H GLU 13 9.009 -14.022 7.906 85 HA GLU 13 HA GLU 13 6.335 -13.584 8.865 86 HB2 GLU 13 1HB GLU 13 7.370 -14.257 6.093 87 HB3 GLU 13 2HB GLU 13 5.721 -13.743 6.446 88 HG2 GLU 13 1HG GLU 13 8.200 -12.128 7.114 89 HG3 GLU 13 2HG GLU 13 7.182 -11.856 5.699 90 H ALA 14 H ALA 14 4.526 -14.950 8.753 91 HA ALA 14 HA ALA 14 4.978 -17.708 9.358 92 HB1 ALA 14 3HB ALA 14 2.475 -17.874 9.150 93 HB2 ALA 14 1HB ALA 14 2.467 -16.204 8.583 94 HB3 ALA 14 2HB ALA 14 3.020 -16.578 10.215 95 H CYS 15 H CYS 15 4.569 -19.575 8.118 96 HA CYS 15 HA CYS 15 5.268 -19.500 5.360 97 HB2 CYS 15 1HB CYS 15 5.343 -21.469 7.044 98 HB3 CYS 15 2HB CYS 15 3.653 -21.723 6.615 99 HG CYS 15 HG CYS 15 4.582 -22.991 4.696 100 H GLY 16 H GLY 16 2.101 -19.635 6.974 101 HA2 GLY 16 1HA GLY 16 -0.003 -18.992 6.129 102 HA3 GLY 16 2HA GLY 16 0.803 -18.473 4.647 103 H CYS 17 H CYS 17 1.432 -21.693 5.750 104 HA CYS 17 HA CYS 17 0.981 -23.755 4.732 105 HB2 CYS 17 1HB CYS 17 -1.761 -22.536 4.299 106 HB3 CYS 17 2HB CYS 17 -1.364 -24.253 4.390 107 HG CYS 17 HG CYS 17 -2.191 -23.485 6.763 108 H ALA 18 H ALA 18 2.364 -22.223 3.036 109 HA ALA 18 HA ALA 18 2.736 -21.645 0.782 110 HB1 ALA 18 3HB ALA 18 3.129 -23.996 0.633 111 HB2 ALA 18 1HB ALA 18 2.107 -23.588 -0.744 112 HB3 ALA 18 2HB ALA 18 1.403 -24.357 0.680 113 H GLY 19 H GLY 19 0.072 -23.428 -0.426 114 HA2 GLY 19 1HA GLY 19 -1.028 -21.115 -1.740 115 HA3 GLY 19 2HA GLY 19 -1.739 -22.727 -1.732 116 H GLU 20 H GLU 20 -3.013 -20.068 -1.372 117 HA GLU 20 HA GLU 20 -4.820 -20.809 0.740 118 HB2 GLU 20 1HB GLU 20 -2.908 -19.945 2.108 119 HB3 GLU 20 2HB GLU 20 -3.071 -18.389 1.294 120 HG2 GLU 20 1HG GLU 20 -4.276 -18.274 3.397 121 HG3 GLU 20 2HG GLU 20 -5.459 -18.299 2.091 122 H ILE 21 H ILE 21 -6.474 -20.392 -0.692 123 HA ILE 21 HA ILE 21 -7.910 -19.169 -2.089 124 HB ILE 21 HB ILE 21 -7.031 -16.974 -0.190 125 HG12 ILE 21 1HG1 ILE 21 -9.498 -18.733 -0.101 126 HG13 ILE 21 2HG1 ILE 21 -8.031 -19.081 0.814 127 HG21 ILE 21 1HG2 ILE 21 -8.107 -15.973 -2.095 128 HG22 ILE 21 2HG2 ILE 21 -9.313 -16.044 -0.811 129 HG23 ILE 21 3HG2 ILE 21 -9.352 -17.223 -2.122 130 HD11 ILE 21 3HD1 ILE 21 -9.674 -17.835 2.186 131 HD12 ILE 21 1HD1 ILE 21 -9.646 -16.522 1.009 132 HD13 ILE 21 2HD1 ILE 21 -8.198 -16.901 1.941 133 H GLY 22 H GLY 22 -5.923 -16.336 -1.457 134 HA2 GLY 22 1HA GLY 22 -4.779 -14.929 -2.939 135 HA3 GLY 22 2HA GLY 22 -4.139 -16.422 -3.626 136 H PHE 23 H PHE 23 -6.523 -13.904 -3.982 137 HA PHE 23 HA PHE 23 -7.950 -15.174 -6.173 138 HB2 PHE 23 1HB PHE 23 -7.841 -12.325 -5.159 139 HB3 PHE 23 2HB PHE 23 -8.851 -12.827 -6.516 140 HD1 PHE 23 HD1 PHE 23 -10.638 -14.550 -6.175 141 HD2 PHE 23 HD2 PHE 23 -8.435 -12.856 -2.901 142 HE1 PHE 23 HE1 PHE 23 -12.361 -15.372 -4.590 143 HE2 PHE 23 HE2 PHE 23 -10.156 -13.675 -1.316 144 HZ PHE 23 HZ PHE 23 -12.120 -14.934 -2.161 145 H ILE 24 H ILE 24 -7.716 -14.800 -8.369 146 HA ILE 24 HA ILE 24 -6.486 -14.496 -10.337 147 HB ILE 24 HB ILE 24 -5.938 -11.848 -8.968 148 HG12 ILE 24 1HG1 ILE 24 -7.970 -12.590 -11.081 149 HG13 ILE 24 2HG1 ILE 24 -8.334 -12.531 -9.355 150 HG21 ILE 24 1HG2 ILE 24 -4.352 -12.110 -10.758 151 HG22 ILE 24 2HG2 ILE 24 -5.633 -11.089 -11.385 152 HG23 ILE 24 3HG2 ILE 24 -5.565 -12.795 -11.827 153 HD11 ILE 24 3HD1 ILE 24 -7.566 -10.153 -9.320 154 HD12 ILE 24 1HD1 ILE 24 -8.960 -10.408 -10.368 155 HD13 ILE 24 2HD1 ILE 24 -7.352 -10.233 -11.069 156 H ILE 25 H ILE 25 -4.306 -12.446 -8.484 157 HA ILE 25 HA ILE 25 -2.085 -14.072 -9.424 158 HB ILE 25 HB ILE 25 -0.689 -12.584 -7.964 159 HG12 ILE 25 1HG1 ILE 25 -2.919 -10.625 -7.703 160 HG13 ILE 25 2HG1 ILE 25 -2.964 -11.984 -6.617 161 HG21 ILE 25 1HG2 ILE 25 -0.477 -11.725 -10.045 162 HG22 ILE 25 2HG2 ILE 25 -1.431 -10.398 -9.387 163 HG23 ILE 25 3HG2 ILE 25 -2.209 -11.685 -10.301 164 HD11 ILE 25 3HD1 ILE 25 -0.849 -9.877 -6.848 165 HD12 ILE 25 1HD1 ILE 25 -0.473 -11.453 -6.190 166 HD13 ILE 25 2HD1 ILE 25 -1.658 -10.506 -5.422 167 H ARG 26 H ARG 26 -0.826 -15.461 -8.278 168 HA ARG 26 HA ARG 26 -1.904 -16.483 -5.717 169 HB2 ARG 26 1HB ARG 26 -0.328 -18.344 -6.100 170 HB3 ARG 26 2HB ARG 26 -1.385 -18.085 -7.485 171 HG2 ARG 26 1HG ARG 26 0.399 -16.796 -8.612 172 HG3 ARG 26 2HG ARG 26 1.463 -17.058 -7.230 173 HD2 ARG 26 1HD ARG 26 2.002 -18.707 -8.936 174 HD3 ARG 26 2HD ARG 26 1.221 -19.533 -7.587 175 HE ARG 26 HE ARG 26 -0.763 -18.762 -9.507 176 HH11 ARG 26 1HH2 ARG 26 1.864 -20.952 -8.989 177 HH12 ARG 26 2HH2 ARG 26 1.216 -22.173 -10.032 178 HH21 ARG 26 1HH1 ARG 26 -1.609 -20.348 -10.867 179 HH22 ARG 26 2HH1 ARG 26 -0.745 -21.832 -11.094 180 H GLU 27 H GLU 27 -0.494 -16.880 -3.897 181 HA GLU 27 HA GLU 27 1.139 -14.658 -3.149 182 HB2 GLU 27 1HB GLU 27 0.844 -17.429 -1.961 183 HB3 GLU 27 2HB GLU 27 1.776 -16.138 -1.201 184 HG2 GLU 27 1HG GLU 27 -0.221 -14.705 -1.152 185 HG3 GLU 27 2HG GLU 27 -1.160 -15.972 -1.942 186 H GLY 28 H GLY 28 3.403 -14.590 -2.726 187 HA2 GLY 28 1HA GLY 28 5.661 -15.352 -2.908 188 HA3 GLY 28 2HA GLY 28 5.111 -16.713 -3.882 189 H ASP 29 H ASP 29 7.227 -15.539 -4.882 190 HA ASP 29 HA ASP 29 8.051 -14.671 -6.878 191 HB2 ASP 29 1HB ASP 29 5.769 -15.583 -7.752 192 HB3 ASP 29 2HB ASP 29 5.260 -13.894 -7.728 193 H ASP 30 H ASP 30 8.621 -13.063 -5.029 194 HA ASP 30 HA ASP 30 8.951 -10.848 -4.357 195 HB2 ASP 30 1HB ASP 30 8.217 -10.455 -7.271 196 HB3 ASP 30 2HB ASP 30 8.811 -9.161 -6.231 197 H VAL 31 H VAL 31 6.924 -11.316 -3.055 198 HA VAL 31 HA VAL 31 4.708 -9.452 -3.855 199 HB VAL 31 HB VAL 31 4.635 -12.076 -2.336 200 HG11 VAL 31 1HG1 VAL 31 2.123 -11.533 -2.220 201 HG12 VAL 31 2HG1 VAL 31 2.580 -9.864 -2.567 202 HG13 VAL 31 3HG1 VAL 31 3.167 -10.654 -1.103 203 HG21 VAL 31 3HG2 VAL 31 3.239 -12.806 -4.129 204 HG22 VAL 31 1HG2 VAL 31 4.582 -11.961 -4.899 205 HG23 VAL 31 2HG2 VAL 31 3.025 -11.159 -4.719 206 H ALA 32 H ALA 32 4.204 -7.888 -2.405 207 HA ALA 32 HA ALA 32 5.591 -7.936 0.255 208 HB1 ALA 32 3HB ALA 32 6.411 -6.196 -1.359 209 HB2 ALA 32 1HB ALA 32 5.720 -5.517 0.114 210 HB3 ALA 32 2HB ALA 32 4.784 -5.516 -1.381 211 H GLU 33 H GLU 33 4.384 -7.242 2.040 212 HA GLU 33 HA GLU 33 1.422 -7.209 1.621 213 HB2 GLU 33 1HB GLU 33 3.143 -7.879 4.022 214 HB3 GLU 33 2HB GLU 33 1.385 -7.739 4.092 215 HG2 GLU 33 1HG GLU 33 1.154 -9.495 2.397 216 HG3 GLU 33 2HG GLU 33 2.908 -9.610 2.256 217 H VAL 34 H VAL 34 0.281 -5.421 2.146 218 HA VAL 34 HA VAL 34 1.690 -3.197 3.592 219 HB VAL 34 HB VAL 34 -0.193 -3.100 1.218 220 HG11 VAL 34 1HG1 VAL 34 0.666 -0.939 3.151 221 HG12 VAL 34 2HG1 VAL 34 -0.970 -1.347 2.631 222 HG13 VAL 34 3HG1 VAL 34 0.142 -0.565 1.508 223 HG21 VAL 34 3HG2 VAL 34 2.626 -2.102 1.727 224 HG22 VAL 34 1HG2 VAL 34 1.704 -1.784 0.258 225 HG23 VAL 34 2HG2 VAL 34 2.164 -3.436 0.672 226 H SER 35 H SER 35 0.612 -2.414 5.316 227 HA SER 35 HA SER 35 -2.269 -3.163 5.685 228 HB2 SER 35 1HB SER 35 -1.777 -3.452 8.090 229 HB3 SER 35 2HB SER 35 -0.839 -4.579 7.114 230 HG SER 35 HG SER 35 0.116 -2.973 8.869 231 H LEU 36 H LEU 36 -3.474 -1.368 5.894 232 HA LEU 36 HA LEU 36 -2.174 1.119 6.958 233 HB2 LEU 36 1HB LEU 36 -2.854 1.235 4.540 234 HB3 LEU 36 2HB LEU 36 -4.519 0.943 5.042 235 HG LEU 36 HG LEU 36 -4.413 2.974 6.483 236 HD11 LEU 36 1HD1 LEU 36 -1.593 3.007 5.452 237 HD12 LEU 36 2HD1 LEU 36 -2.212 3.418 7.053 238 HD13 LEU 36 3HD1 LEU 36 -2.400 4.553 5.723 239 HD21 LEU 36 3HD2 LEU 36 -3.605 3.621 3.638 240 HD22 LEU 36 1HD2 LEU 36 -4.680 4.541 4.691 241 HD23 LEU 36 2HD2 LEU 36 -5.192 2.977 4.059 242 H PHE 37 H PHE 37 -3.096 1.996 8.724 243 HA PHE 37 HA PHE 37 -5.694 0.840 9.686 244 HB2 PHE 37 1HB PHE 37 -3.793 0.343 11.152 245 HB3 PHE 37 2HB PHE 37 -3.387 2.058 11.233 246 HD1 PHE 37 HD2 PHE 37 -6.132 -0.376 11.932 247 HD2 PHE 37 HD1 PHE 37 -4.426 3.464 12.823 248 HE1 PHE 37 HE2 PHE 37 -7.754 -0.085 13.785 249 HE2 PHE 37 HE1 PHE 37 -6.048 3.756 14.676 250 HZ PHE 37 HZ PHE 37 -7.712 1.980 15.157 251 H GLY 38 H GLY 38 -7.371 2.253 9.954 252 HA2 GLY 38 1HA GLY 38 -6.964 5.048 10.580 253 HA3 GLY 38 2HA GLY 38 -7.410 4.826 8.890 254 H SER 39 H SER 39 -9.346 6.067 9.538 255 HA SER 39 HA SER 39 -11.266 5.137 11.420 256 HB2 SER 39 1HB SER 39 -11.365 7.393 10.540 257 HB3 SER 39 2HB SER 39 -11.576 6.787 8.900 258 HG SER 39 HG SER 39 -13.348 6.136 11.009 259 H ASP 40 H ASP 40 -13.284 5.369 8.954 260 HA ASP 40 HA ASP 40 -13.903 2.544 8.901 261 HB2 ASP 40 1HB ASP 40 -14.970 4.923 7.366 262 HB3 ASP 40 2HB ASP 40 -15.603 3.289 7.168 263 H LYS 41 H LYS 41 -14.377 1.566 6.612 264 HA LYS 41 HA LYS 41 -11.881 1.185 5.274 265 HB2 LYS 41 1HB LYS 41 -13.790 -0.443 5.279 266 HB3 LYS 41 2HB LYS 41 -14.664 0.648 4.203 267 HG2 LYS 41 1HG LYS 41 -12.902 0.455 2.521 268 HG3 LYS 41 2HG LYS 41 -11.954 -0.569 3.601 269 HD2 LYS 41 1HD LYS 41 -13.773 -2.245 3.599 270 HD3 LYS 41 2HD LYS 41 -14.701 -1.228 2.496 271 HE2 LYS 41 1HE LYS 41 -12.896 -1.386 0.823 272 HE3 LYS 41 2HE LYS 41 -11.964 -2.400 1.923 273 HZ1 LYS 41 3HZ LYS 41 -13.752 -4.023 1.888 274 HZ2 LYS 41 1HZ LYS 41 -13.176 -3.732 0.319 275 HZ3 LYS 41 2HZ LYS 41 -14.646 -3.046 0.823 276 H ALA 42 H ALA 42 -14.717 3.191 4.545 277 HA ALA 42 HA ALA 42 -14.010 4.095 1.972 278 HB1 ALA 42 3HB ALA 42 -15.422 6.023 2.439 279 HB2 ALA 42 1HB ALA 42 -15.280 5.747 4.175 280 HB3 ALA 42 2HB ALA 42 -16.155 4.594 3.169 281 H HIS 43 H HIS 43 -13.084 5.424 5.151 282 HA HIS 43 HA HIS 43 -11.520 7.592 4.163 283 HB2 HIS 43 1HB HIS 43 -12.235 7.322 6.537 284 HB3 HIS 43 2HB HIS 43 -11.097 5.985 6.702 285 HD1 HIS 43 HD1 HIS 43 -9.119 6.831 7.956 286 HD2 HIS 43 HD2 HIS 43 -10.483 9.627 5.181 287 HE1 HIS 43 HE1 HIS 43 -7.498 8.774 8.041 288 H LEU 44 H LEU 44 -10.686 4.223 4.912 289 HA LEU 44 HA LEU 44 -7.877 4.453 4.414 290 HB2 LEU 44 1HB LEU 44 -9.733 2.067 4.160 291 HB3 LEU 44 2HB LEU 44 -7.972 1.973 4.147 292 HG LEU 44 HG LEU 44 -9.629 3.107 6.424 293 HD11 LEU 44 1HD1 LEU 44 -8.047 0.534 6.455 294 HD12 LEU 44 2HD1 LEU 44 -9.738 0.565 5.957 295 HD13 LEU 44 3HD1 LEU 44 -9.289 1.072 7.584 296 HD21 LEU 44 3HD2 LEU 44 -7.267 2.662 7.561 297 HD22 LEU 44 1HD2 LEU 44 -7.557 4.150 6.667 298 HD23 LEU 44 2HD2 LEU 44 -6.675 2.824 5.909 299 H GLU 45 H GLU 45 -10.620 3.696 2.288 300 HA GLU 45 HA GLU 45 -9.129 2.980 -0.019 301 HB2 GLU 45 1HB GLU 45 -11.835 4.306 0.283 302 HB3 GLU 45 2HB GLU 45 -11.196 3.760 -1.268 303 HG2 GLU 45 1HG GLU 45 -11.037 1.469 -0.444 304 HG3 GLU 45 2HG GLU 45 -11.544 1.980 1.165 305 H GLY 46 H GLY 46 -10.179 6.185 1.151 306 HA2 GLY 46 1HA GLY 46 -9.269 7.663 -1.123 307 HA3 GLY 46 2HA GLY 46 -9.477 8.330 0.498 308 H LYS 47 H LYS 47 -7.672 6.850 1.956 309 HA LYS 47 HA LYS 47 -5.167 8.106 1.302 310 HB2 LYS 47 1HB LYS 47 -5.906 5.914 3.253 311 HB3 LYS 47 2HB LYS 47 -4.285 6.601 3.136 312 HG2 LYS 47 1HG LYS 47 -5.165 8.833 3.637 313 HG3 LYS 47 2HG LYS 47 -6.808 8.199 3.665 314 HD2 LYS 47 1HD LYS 47 -6.259 8.239 5.943 315 HD3 LYS 47 2HD LYS 47 -5.892 6.573 5.505 316 HE2 LYS 47 1HE LYS 47 -4.074 7.588 6.850 317 HE3 LYS 47 2HE LYS 47 -3.512 7.157 5.237 318 HZ1 LYS 47 3HZ LYS 47 -3.345 9.621 6.424 319 HZ2 LYS 47 1HZ LYS 47 -4.607 9.784 5.302 320 HZ3 LYS 47 2HZ LYS 47 -3.073 9.269 4.784 321 H LEU 48 H LEU 48 -6.533 4.921 0.724 322 HA LEU 48 HA LEU 48 -4.195 3.507 0.018 323 HB2 LEU 48 1HB LEU 48 -6.474 2.506 0.270 324 HB3 LEU 48 2HB LEU 48 -6.940 3.261 -1.250 325 HG LEU 48 HG LEU 48 -5.068 2.019 -2.377 326 HD11 LEU 48 1HD1 LEU 48 -3.502 1.438 -0.751 327 HD12 LEU 48 2HD1 LEU 48 -4.363 -0.085 -0.939 328 HD13 LEU 48 3HD1 LEU 48 -4.731 0.971 0.425 329 HD21 LEU 48 3HD2 LEU 48 -7.302 0.554 -0.970 330 HD22 LEU 48 1HD2 LEU 48 -6.225 -0.276 -2.093 331 HD23 LEU 48 2HD2 LEU 48 -7.217 1.070 -2.652 332 H ALA 49 H ALA 49 -6.226 5.691 -1.900 333 HA ALA 49 HA ALA 49 -5.166 5.246 -4.455 334 HB1 ALA 49 3HB ALA 49 -7.026 6.773 -4.073 335 HB2 ALA 49 1HB ALA 49 -5.730 7.641 -4.896 336 HB3 ALA 49 2HB ALA 49 -5.980 7.865 -3.164 337 H GLU 50 H GLU 50 -3.822 7.244 -1.827 338 HA GLU 50 HA GLU 50 -1.625 8.277 -3.374 339 HB2 GLU 50 1HB GLU 50 -2.006 7.920 -0.388 340 HB3 GLU 50 2HB GLU 50 -0.635 8.766 -1.106 341 HG2 GLU 50 1HG GLU 50 -2.156 10.363 -2.185 342 HG3 GLU 50 2HG GLU 50 -3.549 9.498 -1.534 343 H TYR 51 H TYR 51 -1.996 5.460 -1.249 344 HA TYR 51 HA TYR 51 0.720 4.589 -1.287 345 HB2 TYR 51 1HB TYR 51 -1.930 3.199 -0.876 346 HB3 TYR 51 2HB TYR 51 -0.429 2.276 -0.891 347 HD1 TYR 51 HD2 TYR 51 -1.591 5.556 0.562 348 HD2 TYR 51 HD1 TYR 51 0.429 1.824 1.233 349 HE1 TYR 51 HE2 TYR 51 -1.176 6.206 2.910 350 HE2 TYR 51 HE1 TYR 51 0.839 2.480 3.590 351 HH TYR 51 HH TYR 51 0.990 4.496 4.932 352 H ILE 52 H ILE 52 -2.041 3.792 -3.378 353 HA ILE 52 HA ILE 52 -0.655 1.940 -5.054 354 HB ILE 52 HB ILE 52 -3.064 3.707 -5.575 355 HG12 ILE 52 1HG1 ILE 52 -2.891 0.724 -5.048 356 HG13 ILE 52 2HG1 ILE 52 -3.180 1.914 -3.777 357 HG21 ILE 52 1HG2 ILE 52 -2.196 3.162 -7.729 358 HG22 ILE 52 2HG2 ILE 52 -3.475 1.985 -7.427 359 HG23 ILE 52 3HG2 ILE 52 -1.785 1.521 -7.229 360 HD11 ILE 52 3HD1 ILE 52 -4.903 1.518 -6.244 361 HD12 ILE 52 1HD1 ILE 52 -5.188 2.709 -4.975 362 HD13 ILE 52 2HD1 ILE 52 -5.311 0.987 -4.612 363 H SER 53 H SER 53 -1.180 5.456 -5.336 364 HA SER 53 HA SER 53 -0.000 5.801 -7.892 365 HB2 SER 53 1HB SER 53 0.331 8.151 -7.200 366 HB3 SER 53 2HB SER 53 -1.268 7.569 -6.747 367 HG SER 53 HG SER 53 -0.460 7.199 -4.653 368 H LEU 54 H LEU 54 1.492 5.727 -4.659 369 HA LEU 54 HA LEU 54 4.127 6.452 -5.505 370 HB2 LEU 54 1HB LEU 54 3.162 4.755 -3.186 371 HB3 LEU 54 2HB LEU 54 4.837 5.263 -3.390 372 HG LEU 54 HG LEU 54 2.485 7.171 -3.243 373 HD11 LEU 54 1HD1 LEU 54 2.610 6.195 -1.093 374 HD12 LEU 54 2HD1 LEU 54 3.548 7.680 -0.953 375 HD13 LEU 54 3HD1 LEU 54 4.373 6.132 -1.128 376 HD21 LEU 54 3HD2 LEU 54 4.157 8.415 -4.283 377 HD22 LEU 54 1HD2 LEU 54 5.464 7.493 -3.540 378 HD23 LEU 54 2HD2 LEU 54 4.584 8.697 -2.600 379 H ALA 55 H ALA 55 2.494 3.314 -5.218 380 HA ALA 55 HA ALA 55 4.750 1.701 -5.912 381 HB1 ALA 55 3HB ALA 55 1.874 1.045 -6.579 382 HB2 ALA 55 1HB ALA 55 2.493 0.965 -4.931 383 HB3 ALA 55 2HB ALA 55 3.180 -0.070 -6.180 384 H LYS 56 H LYS 56 2.195 3.211 -7.875 385 HA LYS 56 HA LYS 56 3.026 2.095 -10.382 386 HB2 LYS 56 1HB LYS 56 1.539 4.647 -9.705 387 HB3 LYS 56 2HB LYS 56 1.765 4.050 -11.348 388 HG2 LYS 56 1HG LYS 56 0.566 1.995 -10.820 389 HG3 LYS 56 2HG LYS 56 0.449 2.462 -9.125 390 HD2 LYS 56 1HD LYS 56 -1.661 3.046 -10.024 391 HD3 LYS 56 2HD LYS 56 -0.780 4.570 -9.976 392 HE2 LYS 56 1HE LYS 56 -0.277 4.433 -12.339 393 HE3 LYS 56 2HE LYS 56 -0.920 2.793 -12.430 394 HZ1 LYS 56 3HZ LYS 56 -2.981 3.562 -12.623 395 HZ2 LYS 56 1HZ LYS 56 -2.306 5.095 -12.890 396 HZ3 LYS 56 2HZ LYS 56 -2.798 4.646 -11.327 397 H GLN 57 H GLN 57 3.821 5.149 -8.731 398 HA GLN 57 HA GLN 57 5.511 6.164 -10.823 399 HB2 GLN 57 1HB GLN 57 4.546 7.560 -8.992 400 HB3 GLN 57 2HB GLN 57 5.617 6.752 -7.847 401 HG2 GLN 57 1HG GLN 57 7.580 7.550 -9.091 402 HG3 GLN 57 2HG GLN 57 6.528 8.330 -10.272 403 HE21 GLN 57 2HE2 GLN 57 8.385 9.882 -8.788 404 HE22 GLN 57 1HE2 GLN 57 7.534 10.875 -7.706 405 H VAL 58 H VAL 58 6.174 4.321 -7.852 406 HA VAL 58 HA VAL 58 9.019 4.263 -8.156 407 HB VAL 58 HB VAL 58 7.079 2.427 -6.730 408 HG11 VAL 58 1HG1 VAL 58 8.976 1.046 -7.151 409 HG12 VAL 58 2HG1 VAL 58 9.201 1.663 -5.515 410 HG13 VAL 58 3HG1 VAL 58 10.101 2.372 -6.857 411 HG21 VAL 58 3HG2 VAL 58 7.478 4.859 -5.993 412 HG22 VAL 58 1HG2 VAL 58 9.112 4.344 -5.572 413 HG23 VAL 58 2HG2 VAL 58 7.722 3.613 -4.769 414 H TYR 59 H TYR 59 6.474 1.963 -9.151 415 HA TYR 59 HA TYR 59 8.420 0.800 -11.116 416 HB2 TYR 59 1HB TYR 59 8.106 -0.689 -9.117 417 HB3 TYR 59 2HB TYR 59 6.390 -0.785 -9.516 418 HD1 TYR 59 HD1 TYR 59 9.797 -1.717 -10.549 419 HD2 TYR 59 HD2 TYR 59 5.621 -1.960 -11.513 420 HE1 TYR 59 HE1 TYR 59 10.286 -3.492 -12.211 421 HE2 TYR 59 HE2 TYR 59 6.106 -3.736 -13.174 422 HH TYR 59 HH TYR 59 7.662 -5.093 -14.008 423 H ALA 60 H ALA 60 7.643 0.977 -13.119 424 HA ALA 60 HA ALA 60 4.971 1.902 -13.666 425 HB1 ALA 60 3HB ALA 60 6.760 2.519 -15.152 426 HB2 ALA 60 1HB ALA 60 5.641 1.503 -16.058 427 HB3 ALA 60 2HB ALA 60 7.158 0.828 -15.460 428 H ASN 61 H ASN 61 3.211 0.794 -14.527 429 HA ASN 61 HA ASN 61 1.781 -1.026 -14.861 430 HB2 ASN 61 1HB ASN 61 3.561 -1.376 -16.690 431 HB3 ASN 61 2HB ASN 61 4.249 -2.601 -15.623 432 HD21 ASN 61 2HD2 ASN 61 1.473 -1.816 -17.666 433 HD22 ASN 61 1HD2 ASN 61 0.763 -3.357 -17.608 434 H VAL 62 H VAL 62 2.720 -0.619 -12.236 435 HA VAL 62 HA VAL 62 3.638 -3.131 -11.100 436 HB VAL 62 HB VAL 62 4.091 -0.893 -10.074 437 HG11 VAL 62 1HG1 VAL 62 1.217 -0.991 -9.140 438 HG12 VAL 62 2HG1 VAL 62 1.714 -0.062 -10.554 439 HG13 VAL 62 3HG1 VAL 62 2.373 0.328 -8.965 440 HG21 VAL 62 3HG2 VAL 62 4.151 -3.053 -8.788 441 HG22 VAL 62 1HG2 VAL 62 2.490 -2.741 -8.283 442 HG23 VAL 62 2HG2 VAL 62 3.782 -1.647 -7.791 443 H GLU 63 H GLU 63 2.427 -4.804 -10.382 444 HA GLU 63 HA GLU 63 -0.504 -4.687 -10.773 445 HB2 GLU 63 1HB GLU 63 1.426 -6.936 -10.143 446 HB3 GLU 63 2HB GLU 63 -0.321 -7.160 -10.265 447 HG2 GLU 63 1HG GLU 63 -0.299 -6.343 -12.568 448 HG3 GLU 63 2HG GLU 63 1.428 -6.004 -12.457 449 H TYR 64 H TYR 64 -1.992 -5.195 -9.066 450 HA TYR 64 HA TYR 64 -0.958 -5.552 -6.340 451 HB2 TYR 64 1HB TYR 64 -2.036 -3.536 -5.448 452 HB3 TYR 64 2HB TYR 64 -0.813 -3.110 -6.641 453 HD1 TYR 64 HD1 TYR 64 -4.440 -3.351 -5.979 454 HD2 TYR 64 HD2 TYR 64 -1.415 -2.176 -8.797 455 HE1 TYR 64 HE1 TYR 64 -6.141 -2.114 -7.293 456 HE2 TYR 64 HE2 TYR 64 -3.119 -0.943 -10.111 457 HH TYR 64 HH TYR 64 -6.549 -0.950 -9.140 458 H GLU 65 H GLU 65 -2.764 -5.799 -4.771 459 HA GLU 65 HA GLU 65 -5.440 -6.311 -5.903 460 HB2 GLU 65 1HB GLU 65 -5.417 -8.641 -4.848 461 HB3 GLU 65 2HB GLU 65 -4.481 -8.464 -6.332 462 HG2 GLU 65 1HG GLU 65 -3.273 -8.133 -3.582 463 HG3 GLU 65 2HG GLU 65 -3.314 -9.669 -4.435 464 H VAL 66 H VAL 66 -7.022 -6.625 -4.187 465 HA VAL 66 HA VAL 66 -6.051 -5.763 -1.480 466 HB VAL 66 HB VAL 66 -7.204 -3.896 -2.462 467 HG11 VAL 66 1HG1 VAL 66 -9.386 -4.051 -3.479 468 HG12 VAL 66 2HG1 VAL 66 -9.540 -5.745 -3.012 469 HG13 VAL 66 3HG1 VAL 66 -8.363 -5.270 -4.236 470 HG21 VAL 66 3HG2 VAL 66 -8.918 -3.551 -0.846 471 HG22 VAL 66 1HG2 VAL 66 -7.786 -4.664 -0.075 472 HG23 VAL 66 2HG2 VAL 66 -9.292 -5.273 -0.762 473 H ALA 67 H ALA 67 -6.603 -7.098 0.133 474 HA ALA 67 HA ALA 67 -8.121 -9.510 -0.428 475 HB1 ALA 67 3HB ALA 67 -6.649 -10.121 1.216 476 HB2 ALA 67 1HB ALA 67 -7.783 -9.385 2.350 477 HB3 ALA 67 2HB ALA 67 -6.422 -8.452 1.729 478 HA PRO 68 HA PRO 68 -12.205 -8.333 0.743 479 HB2 PRO 68 1HB PRO 68 -12.923 -10.370 2.511 480 HB3 PRO 68 2HB PRO 68 -12.917 -10.529 0.743 481 HG2 PRO 68 1HG PRO 68 -10.831 -11.359 2.717 482 HG3 PRO 68 2HG PRO 68 -11.441 -12.225 1.295 483 HD2 PRO 68 1HD PRO 68 -9.091 -10.936 1.199 484 HD3 PRO 68 2HD PRO 68 -10.189 -10.923 -0.200 485 H VAL 69 H VAL 69 -12.370 -6.512 1.985 486 HA VAL 69 HA VAL 69 -11.851 -6.745 4.934 487 HB VAL 69 HB VAL 69 -11.271 -4.442 3.051 488 HG11 VAL 69 1HG1 VAL 69 -10.473 -3.347 5.248 489 HG12 VAL 69 2HG1 VAL 69 -11.467 -4.552 6.066 490 HG13 VAL 69 3HG1 VAL 69 -12.213 -3.393 4.965 491 HG21 VAL 69 3HG2 VAL 69 -9.619 -6.382 3.392 492 HG22 VAL 69 1HG2 VAL 69 -9.457 -5.806 5.051 493 HG23 VAL 69 2HG2 VAL 69 -9.000 -4.761 3.706 494 H ALA 70 H ALA 70 -13.508 -6.100 6.207 495 HA ALA 70 HA ALA 70 -16.095 -5.614 5.072 496 HB1 ALA 70 3HB ALA 70 -16.872 -5.509 7.307 497 HB2 ALA 70 1HB ALA 70 -15.309 -4.958 7.912 498 HB3 ALA 70 2HB ALA 70 -15.506 -6.623 7.366 499 H ASP 71 H ASP 71 -17.344 -3.700 5.092 500 HA ASP 71 HA ASP 71 -15.948 -1.277 4.483 501 HB2 ASP 71 1HB ASP 71 -18.208 -0.249 4.510 502 HB3 ASP 71 2HB ASP 71 -18.186 -1.759 3.601 503 H ASN 72 H ASN 72 -17.273 -2.586 7.452 504 HA ASN 72 HA ASN 72 -16.895 -0.037 8.905 505 HB2 ASN 72 1HB ASN 72 -17.806 -2.793 9.797 506 HB3 ASN 72 2HB ASN 72 -17.742 -1.375 10.843 507 HD21 ASN 72 2HD2 ASN 72 -18.569 0.324 8.370 508 HD22 ASN 72 1HD2 ASN 72 -20.244 0.080 8.266 509 H ALA 73 H ALA 73 -14.817 -2.202 7.757 510 HA ALA 73 HA ALA 73 -13.291 -3.019 10.055 511 HB1 ALA 73 3HB ALA 73 -13.139 -4.068 7.785 512 HB2 ALA 73 1HB ALA 73 -11.570 -3.624 8.454 513 HB3 ALA 73 2HB ALA 73 -12.315 -2.617 7.214 514 H THR 74 H THR 74 -11.364 -2.125 10.895 515 HA THR 74 HA THR 74 -11.051 0.803 10.426 516 HB THR 74 HB THR 74 -9.633 0.611 12.552 517 HG1 THR 74 HG1 THR 74 -10.523 -1.991 12.172 518 HG21 THR 74 3HG2 THR 74 -11.646 0.479 13.999 519 HG22 THR 74 1HG2 THR 74 -12.564 -0.157 12.634 520 HG23 THR 74 2HG2 THR 74 -11.920 1.485 12.575 521 H GLU 75 H GLU 75 -9.782 -1.945 9.192 522 HA GLU 75 HA GLU 75 -7.186 -0.606 8.618 523 HB2 GLU 75 1HB GLU 75 -5.948 -2.695 8.999 524 HB3 GLU 75 2HB GLU 75 -6.741 -2.166 10.481 525 HG2 GLU 75 1HG GLU 75 -8.608 -3.740 10.020 526 HG3 GLU 75 2HG GLU 75 -7.760 -4.300 8.578 527 H LEU 76 H LEU 76 -6.117 -1.555 6.716 528 HA LEU 76 HA LEU 76 -8.013 -3.011 4.908 529 HB2 LEU 76 1HB LEU 76 -7.754 -0.527 4.390 530 HB3 LEU 76 2HB LEU 76 -6.061 -0.868 4.035 531 HG LEU 76 HG LEU 76 -7.053 -2.747 2.464 532 HD11 LEU 76 1HD1 LEU 76 -9.227 -2.045 1.472 533 HD12 LEU 76 2HD1 LEU 76 -9.376 -0.809 2.718 534 HD13 LEU 76 3HD1 LEU 76 -9.393 -2.514 3.160 535 HD21 LEU 76 3HD2 LEU 76 -7.274 0.194 1.749 536 HD22 LEU 76 1HD2 LEU 76 -7.115 -1.143 0.610 537 HD23 LEU 76 2HD2 LEU 76 -5.789 -0.756 1.704 538 H HIS 77 H HIS 77 -7.138 -4.718 3.864 539 HA HIS 77 HA HIS 77 -4.209 -5.234 4.230 540 HB2 HIS 77 1HB HIS 77 -6.546 -7.111 3.768 541 HB3 HIS 77 2HB HIS 77 -4.856 -7.620 3.809 542 HD1 HIS 77 HD1 HIS 77 -7.668 -6.526 6.000 543 HD2 HIS 77 HD2 HIS 77 -3.609 -7.391 6.396 544 HE1 HIS 77 HE1 HIS 77 -7.213 -6.709 8.485 545 H ALA 78 H ALA 78 -2.968 -5.226 2.422 546 HA ALA 78 HA ALA 78 -4.143 -5.935 -0.189 547 HB1 ALA 78 3HB ALA 78 -3.521 -3.872 -1.278 548 HB2 ALA 78 1HB ALA 78 -2.763 -3.265 0.193 549 HB3 ALA 78 2HB ALA 78 -4.515 -3.453 0.117 550 H ARG 79 H ARG 79 -2.508 -6.374 -1.776 551 HA ARG 79 HA ARG 79 0.280 -6.594 -0.692 552 HB2 ARG 79 1HB ARG 79 -1.338 -8.640 -2.231 553 HB3 ARG 79 2HB ARG 79 0.412 -8.739 -2.031 554 HG2 ARG 79 1HG ARG 79 0.157 -8.758 0.407 555 HG3 ARG 79 2HG ARG 79 -1.592 -8.602 0.240 556 HD2 ARG 79 1HD ARG 79 -1.691 -10.753 -0.940 557 HD3 ARG 79 2HD ARG 79 0.061 -10.900 -0.844 558 HE ARG 79 HE ARG 79 -0.134 -11.437 1.468 559 HH11 ARG 79 1HH2 ARG 79 -3.124 -10.419 0.064 560 HH12 ARG 79 2HH2 ARG 79 -4.079 -10.951 1.405 561 HH21 ARG 79 1HH1 ARG 79 -1.370 -12.129 3.218 562 HH22 ARG 79 2HH1 ARG 79 -3.088 -11.918 3.189 563 H PHE 80 H PHE 80 1.926 -6.365 -2.257 564 HA PHE 80 HA PHE 80 1.053 -5.424 -4.968 565 HB2 PHE 80 1HB PHE 80 3.088 -4.180 -3.096 566 HB3 PHE 80 2HB PHE 80 2.927 -3.748 -4.799 567 HD1 PHE 80 HD2 PHE 80 1.181 -3.793 -1.523 568 HD2 PHE 80 HD1 PHE 80 1.124 -2.381 -5.577 569 HE1 PHE 80 HE2 PHE 80 -0.689 -2.264 -0.963 570 HE2 PHE 80 HE1 PHE 80 -0.751 -0.856 -5.020 571 HZ PHE 80 HZ PHE 80 -1.656 -0.796 -2.713 572 H LYS 81 H LYS 81 2.493 -5.942 -6.648 573 HA LYS 81 HA LYS 81 4.666 -7.886 -5.925 574 HB2 LYS 81 1HB LYS 81 2.666 -7.773 -8.167 575 HB3 LYS 81 2HB LYS 81 4.229 -8.520 -8.479 576 HG2 LYS 81 1HG LYS 81 3.909 -10.037 -6.583 577 HG3 LYS 81 2HG LYS 81 2.360 -9.273 -6.220 578 HD2 LYS 81 1HD LYS 81 1.450 -9.979 -8.350 579 HD3 LYS 81 2HD LYS 81 3.017 -10.625 -8.848 580 HE2 LYS 81 1HE LYS 81 1.541 -11.567 -6.399 581 HE3 LYS 81 2HE LYS 81 1.421 -12.355 -7.961 582 HZ1 LYS 81 3HZ LYS 81 3.529 -13.105 -7.844 583 HZ2 LYS 81 1HZ LYS 81 3.128 -13.117 -6.197 584 HZ3 LYS 81 2HZ LYS 81 4.053 -11.842 -6.834 585 H PHE 82 H PHE 82 6.681 -7.523 -6.715 586 HA PHE 82 HA PHE 82 7.085 -5.224 -8.593 587 HB2 PHE 82 1HB PHE 82 8.532 -5.774 -5.992 588 HB3 PHE 82 2HB PHE 82 9.119 -4.652 -7.219 589 HD1 PHE 82 HD1 PHE 82 7.601 -2.741 -7.953 590 HD2 PHE 82 HD2 PHE 82 6.842 -5.116 -4.454 591 HE1 PHE 82 HE1 PHE 82 6.090 -0.979 -7.084 592 HE2 PHE 82 HE2 PHE 82 5.330 -3.352 -3.587 593 HZ PHE 82 HZ PHE 82 4.954 -1.283 -4.902 594 H GLU 83 H GLU 83 9.138 -5.323 -9.733 595 HA GLU 83 HA GLU 83 9.750 -7.947 -10.707 596 HB2 GLU 83 1HB GLU 83 10.074 -5.837 -12.006 597 HB3 GLU 83 2HB GLU 83 11.409 -5.418 -10.933 598 HG2 GLU 83 1HG GLU 83 12.609 -7.457 -11.595 599 HG3 GLU 83 2HG GLU 83 11.265 -7.923 -12.637 600 H VAL 84 H VAL 84 11.323 -5.826 -8.321 601 HA VAL 84 HA VAL 84 12.961 -8.175 -7.449 602 HB VAL 84 HB VAL 84 14.895 -6.671 -7.114 603 HG11 VAL 84 1HG1 VAL 84 15.584 -6.638 -9.387 604 HG12 VAL 84 2HG1 VAL 84 13.935 -6.406 -9.968 605 HG13 VAL 84 3HG1 VAL 84 14.422 -7.960 -9.291 606 HG21 VAL 84 3HG2 VAL 84 13.039 -4.654 -8.409 607 HG22 VAL 84 1HG2 VAL 84 14.785 -4.428 -8.302 608 HG23 VAL 84 2HG2 VAL 84 13.820 -4.537 -6.832 609 H SER 85 H SER 85 13.722 -7.994 -5.250 610 HA SER 85 HA SER 85 11.717 -7.109 -3.417 611 HB2 SER 85 1HB SER 85 13.284 -8.965 -2.954 612 HB3 SER 85 2HB SER 85 14.620 -7.818 -2.905 613 HG SER 85 HG SER 85 12.310 -7.692 -1.255 614 H ALA 86 H ALA 86 14.818 -5.705 -4.421 615 HA ALA 86 HA ALA 86 15.282 -3.693 -2.618 616 HB1 ALA 86 3HB ALA 86 16.357 -2.478 -4.350 617 HB2 ALA 86 1HB ALA 86 15.246 -3.085 -5.578 618 HB3 ALA 86 2HB ALA 86 16.448 -4.161 -4.866 619 H GLU 87 H GLU 87 12.756 -3.669 -5.105 620 HA GLU 87 HA GLU 87 11.843 -0.993 -4.625 621 HB2 GLU 87 1HB GLU 87 10.384 -3.426 -5.696 622 HB3 GLU 87 2HB GLU 87 9.768 -1.776 -5.773 623 HG2 GLU 87 1HG GLU 87 12.392 -2.689 -6.990 624 HG3 GLU 87 2HG GLU 87 10.889 -2.483 -7.890 625 H LYS 88 H LYS 88 11.094 -4.108 -3.147 626 HA LYS 88 HA LYS 88 8.781 -3.318 -1.681 627 HB2 LYS 88 1HB LYS 88 9.538 -5.672 -1.951 628 HB3 LYS 88 2HB LYS 88 10.913 -5.329 -0.899 629 HG2 LYS 88 1HG LYS 88 9.401 -4.786 0.950 630 HG3 LYS 88 2HG LYS 88 8.003 -5.041 -0.094 631 HD2 LYS 88 1HD LYS 88 8.673 -7.397 -0.416 632 HD3 LYS 88 2HD LYS 88 10.063 -7.142 0.638 633 HE2 LYS 88 1HE LYS 88 8.575 -6.588 2.506 634 HE3 LYS 88 2HE LYS 88 7.170 -6.778 1.464 635 HZ1 LYS 88 3HZ LYS 88 7.184 -8.915 2.011 636 HZ2 LYS 88 1HZ LYS 88 8.657 -8.762 2.837 637 HZ3 LYS 88 2HZ LYS 88 8.651 -9.087 1.169 638 H LEU 89 H LEU 89 12.240 -3.258 -0.800 639 HA LEU 89 HA LEU 89 11.860 -2.309 1.857 640 HB2 LEU 89 1HB LEU 89 14.003 -3.221 0.954 641 HB3 LEU 89 2HB LEU 89 14.190 -1.755 -0.005 642 HG LEU 89 HG LEU 89 14.181 -0.404 2.076 643 HD11 LEU 89 1HD1 LEU 89 13.012 -1.509 3.734 644 HD12 LEU 89 2HD1 LEU 89 14.644 -1.979 4.198 645 HD13 LEU 89 3HD1 LEU 89 13.633 -3.096 3.280 646 HD21 LEU 89 3HD2 LEU 89 16.212 -2.642 2.284 647 HD22 LEU 89 1HD2 LEU 89 16.420 -0.948 2.732 648 HD23 LEU 89 2HD2 LEU 89 16.286 -1.401 1.033 649 H ILE 90 H ILE 90 12.587 -0.477 -1.133 650 HA ILE 90 HA ILE 90 12.388 2.092 0.161 651 HB ILE 90 HB ILE 90 12.409 1.141 -2.706 652 HG12 ILE 90 1HG1 ILE 90 14.544 2.278 -2.765 653 HG13 ILE 90 2HG1 ILE 90 14.249 3.027 -1.196 654 HG21 ILE 90 1HG2 ILE 90 10.963 3.015 -2.900 655 HG22 ILE 90 2HG2 ILE 90 12.565 3.659 -3.262 656 HG23 ILE 90 3HG2 ILE 90 11.845 3.923 -1.673 657 HD11 ILE 90 3HD1 ILE 90 15.781 0.977 -1.194 658 HD12 ILE 90 1HD1 ILE 90 14.343 0.025 -1.562 659 HD13 ILE 90 2HD1 ILE 90 14.434 0.938 -0.055 660 H PHE 91 H PHE 91 10.111 0.202 -1.821 661 HA PHE 91 HA PHE 91 7.999 2.113 -1.802 662 HB2 PHE 91 1HB PHE 91 8.030 0.203 -3.336 663 HB3 PHE 91 2HB PHE 91 7.872 -0.912 -1.978 664 HD1 PHE 91 HD1 PHE 91 6.199 2.143 -3.388 665 HD2 PHE 91 HD2 PHE 91 5.722 -1.639 -1.404 666 HE1 PHE 91 HE1 PHE 91 3.735 2.408 -3.469 667 HE2 PHE 91 HE2 PHE 91 3.259 -1.372 -1.488 668 HZ PHE 91 HZ PHE 91 2.266 0.652 -2.521 669 H GLU 92 H GLU 92 8.693 -0.618 0.379 670 HA GLU 92 HA GLU 92 6.379 -0.325 2.011 671 HB2 GLU 92 1HB GLU 92 7.897 -2.302 2.038 672 HB3 GLU 92 2HB GLU 92 9.124 -1.316 2.835 673 HG2 GLU 92 1HG GLU 92 7.610 -0.919 4.725 674 HG3 GLU 92 2HG GLU 92 6.344 -1.851 3.925 675 H LEU 93 H LEU 93 9.587 1.197 2.191 676 HA LEU 93 HA LEU 93 9.220 2.474 4.718 677 HB2 LEU 93 1HB LEU 93 10.918 3.088 2.299 678 HB3 LEU 93 2HB LEU 93 10.952 4.129 3.719 679 HG LEU 93 HG LEU 93 11.401 1.137 3.886 680 HD11 LEU 93 1HD1 LEU 93 13.372 3.377 3.395 681 HD12 LEU 93 2HD1 LEU 93 13.139 1.909 2.446 682 HD13 LEU 93 3HD1 LEU 93 13.859 1.815 4.053 683 HD21 LEU 93 3HD2 LEU 93 10.983 1.933 6.066 684 HD22 LEU 93 1HD2 LEU 93 11.757 3.486 5.757 685 HD23 LEU 93 2HD2 LEU 93 12.736 2.037 5.966 686 H LYS 94 H LYS 94 8.545 3.609 1.405 687 HA LYS 94 HA LYS 94 7.618 6.205 2.199 688 HB2 LYS 94 1HB LYS 94 7.120 4.515 -0.258 689 HB3 LYS 94 2HB LYS 94 6.477 6.149 -0.078 690 HG2 LYS 94 1HG LYS 94 8.770 7.013 0.252 691 HG3 LYS 94 2HG LYS 94 9.410 5.381 0.062 692 HD2 LYS 94 1HD LYS 94 8.607 5.259 -2.218 693 HD3 LYS 94 2HD LYS 94 7.757 6.796 -2.045 694 HE2 LYS 94 1HE LYS 94 9.877 7.132 -3.237 695 HE3 LYS 94 2HE LYS 94 9.923 7.939 -1.671 696 HZ1 LYS 94 3HZ LYS 94 10.897 5.645 -0.932 697 HZ2 LYS 94 1HZ LYS 94 11.892 6.830 -1.622 698 HZ3 LYS 94 2HZ LYS 94 11.333 5.536 -2.569 699 H THR 95 H THR 95 5.902 3.150 1.558 700 HA THR 95 HA THR 95 3.280 4.234 2.032 701 HB THR 95 HB THR 95 2.648 1.807 2.295 702 HG1 THR 95 HG1 THR 95 4.293 0.308 2.005 703 HG21 THR 95 3HG2 THR 95 2.873 3.028 0.070 704 HG22 THR 95 1HG2 THR 95 3.018 1.272 -0.007 705 HG23 THR 95 2HG2 THR 95 4.464 2.279 -0.077 706 H ARG 96 H ARG 96 5.714 2.738 4.124 707 HA ARG 96 HA ARG 96 4.005 2.522 6.432 708 HB2 ARG 96 1HB ARG 96 6.210 1.321 6.117 709 HB3 ARG 96 2HB ARG 96 7.017 2.862 6.392 710 HG2 ARG 96 1HG ARG 96 7.034 1.965 8.547 711 HG3 ARG 96 2HG ARG 96 5.551 2.915 8.595 712 HD2 ARG 96 1HD ARG 96 5.161 0.669 9.518 713 HD3 ARG 96 2HD ARG 96 4.248 0.870 8.025 714 HE ARG 96 HE ARG 96 6.838 -0.279 7.489 715 HH11 ARG 96 1HH2 ARG 96 3.694 -0.919 8.761 716 HH12 ARG 96 2HH2 ARG 96 3.715 -2.594 8.324 717 HH21 ARG 96 1HH1 ARG 96 6.877 -2.461 6.910 718 HH22 ARG 96 2HH1 ARG 96 5.516 -3.467 7.276 719 H ALA 97 H ALA 97 6.188 5.031 5.210 720 HA ALA 97 HA ALA 97 6.124 6.792 7.421 721 HB1 ALA 97 3HB ALA 97 6.043 7.707 4.537 722 HB2 ALA 97 1HB ALA 97 7.484 6.974 5.244 723 HB3 ALA 97 2HB ALA 97 6.848 8.481 5.903 724 H LEU 98 H LEU 98 3.943 6.605 4.604 725 HA LEU 98 HA LEU 98 2.181 8.694 5.453 726 HB2 LEU 98 1HB LEU 98 1.752 6.283 3.671 727 HB3 LEU 98 2HB LEU 98 0.547 7.550 3.887 728 HG LEU 98 HG LEU 98 3.384 8.044 2.927 729 HD11 LEU 98 1HD1 LEU 98 2.115 8.479 0.712 730 HD12 LEU 98 2HD1 LEU 98 0.805 7.547 1.437 731 HD13 LEU 98 3HD1 LEU 98 2.383 6.802 1.186 732 HD21 LEU 98 3HD2 LEU 98 2.047 10.189 2.071 733 HD22 LEU 98 1HD2 LEU 98 2.672 10.120 3.715 734 HD23 LEU 98 2HD2 LEU 98 0.970 9.781 3.404 735 H ALA 99 H ALA 99 2.163 5.190 5.985 736 HA ALA 99 HA ALA 99 -0.349 5.072 7.348 737 HB1 ALA 99 3HB ALA 99 0.933 3.114 6.419 738 HB2 ALA 99 1HB ALA 99 0.352 2.876 8.066 739 HB3 ALA 99 2HB ALA 99 2.047 3.269 7.777 740 H ARG 100 H ARG 100 2.915 5.833 8.427 741 HA ARG 100 HA ARG 100 2.091 5.861 11.265 742 HB2 ARG 100 1HB ARG 100 4.709 6.529 9.885 743 HB3 ARG 100 2HB ARG 100 4.472 6.563 11.632 744 HG2 ARG 100 1HG ARG 100 3.991 4.128 9.886 745 HG3 ARG 100 2HG ARG 100 5.466 4.411 10.807 746 HD2 ARG 100 1HD ARG 100 4.325 3.149 12.373 747 HD3 ARG 100 2HD ARG 100 3.659 4.723 12.804 748 HE ARG 100 HE ARG 100 2.019 3.658 10.759 749 HH11 ARG 100 1HH2 ARG 100 3.033 2.960 13.982 750 HH12 ARG 100 2HH2 ARG 100 1.557 2.162 14.414 751 HH21 ARG 100 1HH1 ARG 100 0.088 2.624 11.307 752 HH22 ARG 100 2HH1 ARG 100 -0.110 1.973 12.899 753 H LEU 101 H LEU 101 1.636 7.865 8.724 754 HA LEU 101 HA LEU 101 2.446 10.424 9.685 755 HB2 LEU 101 1HB LEU 101 1.699 9.968 7.354 756 HB3 LEU 101 2HB LEU 101 0.057 9.728 7.947 757 HG LEU 101 HG LEU 101 0.055 12.057 8.824 758 HD11 LEU 101 1HD1 LEU 101 2.250 12.695 9.262 759 HD12 LEU 101 2HD1 LEU 101 1.995 13.495 7.716 760 HD13 LEU 101 3HD1 LEU 101 2.875 11.968 7.781 761 HD21 LEU 101 3HD2 LEU 101 0.867 12.018 5.907 762 HD22 LEU 101 1HD2 LEU 101 -0.273 13.109 6.697 763 HD23 LEU 101 2HD2 LEU 101 -0.690 11.410 6.471 764 H GLU 102 H GLU 102 -0.584 8.593 10.109 765 HA GLU 102 HA GLU 102 -1.589 10.696 11.958 766 HB2 GLU 102 1HB GLU 102 -2.876 8.232 10.747 767 HB3 GLU 102 2HB GLU 102 -3.682 9.287 11.912 768 HG2 GLU 102 1HG GLU 102 -3.404 11.206 10.414 769 HG3 GLU 102 2HG GLU 102 -2.522 10.203 9.263 770 H HIS 103 H HIS 103 -1.189 10.492 14.080 771 HA HIS 103 HA HIS 103 -0.430 7.824 15.173 772 HB2 HIS 103 1HB HIS 103 1.112 9.706 15.578 773 HB3 HIS 103 2HB HIS 103 -0.184 10.603 16.368 774 HD1 HIS 103 HD1 HIS 103 1.348 7.114 16.730 775 HD2 HIS 103 HD2 HIS 103 -0.078 10.240 19.090 776 HE1 HIS 103 HE1 HIS 103 1.683 6.403 19.138 777 H HIS 104 H HIS 104 -2.873 7.377 14.902 778 HA HIS 104 HA HIS 104 -4.570 8.574 17.003 779 HB2 HIS 104 1HB HIS 104 -5.059 6.535 14.818 780 HB3 HIS 104 2HB HIS 104 -6.276 6.942 16.028 781 HD1 HIS 104 HD1 HIS 104 -6.294 9.855 16.266 782 HD2 HIS 104 HD2 HIS 104 -5.569 8.055 12.576 783 HE1 HIS 104 HE1 HIS 104 -6.826 11.594 14.504 784 H HIS 105 H HIS 105 -2.425 5.976 16.613 785 HA HIS 105 HA HIS 105 -1.874 4.142 17.939 786 HB2 HIS 105 1HB HIS 105 -1.626 5.873 19.647 787 HB3 HIS 105 2HB HIS 105 -3.347 5.787 20.015 788 HD1 HIS 105 HD1 HIS 105 -0.300 3.490 20.005 789 HD2 HIS 105 HD2 HIS 105 -3.958 3.922 21.959 790 HE1 HIS 105 HE1 HIS 105 -0.342 1.746 21.841 791 H HIS 106 H HIS 106 -2.726 2.194 18.887 792 HA HIS 106 HA HIS 106 -5.368 1.524 17.863 793 HB2 HIS 106 1HB HIS 106 -3.286 -0.028 19.418 794 HB3 HIS 106 2HB HIS 106 -4.827 -0.727 18.920 795 HD1 HIS 106 HD1 HIS 106 -1.620 0.677 17.500 796 HD2 HIS 106 HD2 HIS 106 -5.022 -1.334 16.170 797 HE1 HIS 106 HE1 HIS 106 -1.165 0.006 15.100 798 H HIS 107 H HIS 107 -7.248 1.443 18.980 799 HA HIS 107 HA HIS 107 -7.470 2.563 21.617 800 HB2 HIS 107 1HB HIS 107 -9.276 2.571 19.865 801 HB3 HIS 107 2HB HIS 107 -9.482 0.842 20.138 802 HD1 HIS 107 HD1 HIS 107 -10.595 0.095 22.345 803 HD2 HIS 107 HD2 HIS 107 -10.194 4.230 22.004 804 HE1 HIS 107 HE1 HIS 107 -11.983 1.105 24.207 805 H HIS 108 H HIS 108 -7.585 -0.758 20.361 806 HA HIS 108 HA HIS 108 -7.411 -2.820 21.449 807 HB2 HIS 108 1HB HIS 108 -5.221 -1.776 22.104 808 HB3 HIS 108 2HB HIS 108 -5.990 -1.201 23.582 809 HD1 HIS 108 HD1 HIS 108 -5.564 -4.527 21.751 810 HD2 HIS 108 HD2 HIS 108 -5.799 -3.029 25.634 811 HE1 HIS 108 HE1 HIS 108 -5.204 -6.496 23.302 Start of MODEL 4 1 H1 MET 1 1H MET 1 -26.967 -12.431 -32.793 2 H2 MET 1 2H MET 1 -26.130 -13.736 -32.099 3 H3 MET 1 3H MET 1 -27.791 -13.534 -31.803 4 HA MET 1 HA MET 1 -28.013 -15.066 -33.422 5 HB2 MET 1 1HB MET 1 -27.354 -12.572 -35.027 6 HB3 MET 1 2HB MET 1 -28.205 -13.985 -35.651 7 HG2 MET 1 1HG MET 1 -29.153 -12.294 -33.320 8 HG3 MET 1 2HG MET 1 -29.759 -12.153 -34.968 9 HE1 MET 1 3HE MET 1 -30.585 -13.865 -36.301 10 HE2 MET 1 1HE MET 1 -31.730 -15.101 -35.763 11 HE3 MET 1 2HE MET 1 -30.014 -15.478 -35.884 12 H SER 2 H SER 2 -25.098 -13.124 -33.982 13 HA SER 2 HA SER 2 -23.870 -14.914 -35.847 14 HB2 SER 2 1HB SER 2 -23.047 -12.657 -35.650 15 HB3 SER 2 2HB SER 2 -22.707 -12.875 -33.935 16 HG SER 2 HG SER 2 -20.935 -13.922 -34.421 17 H ASN 3 H ASN 3 -22.494 -16.654 -35.531 18 HA ASN 3 HA ASN 3 -22.714 -18.111 -33.047 19 HB2 ASN 3 1HB ASN 3 -21.128 -19.690 -34.128 20 HB3 ASN 3 2HB ASN 3 -22.469 -19.269 -35.195 21 HD21 ASN 3 2HD2 ASN 3 -20.801 -19.948 -36.929 22 HD22 ASN 3 1HD2 ASN 3 -19.722 -18.759 -37.478 23 H GLN 4 H GLN 4 -20.641 -15.596 -34.090 24 HA GLN 4 HA GLN 4 -19.147 -15.753 -31.589 25 HB2 GLN 4 1HB GLN 4 -17.915 -17.355 -33.074 26 HB3 GLN 4 2HB GLN 4 -17.626 -16.030 -34.201 27 HG2 GLN 4 1HG GLN 4 -15.674 -16.293 -32.770 28 HG3 GLN 4 2HG GLN 4 -16.480 -14.778 -32.363 29 HE21 GLN 4 2HE2 GLN 4 -15.870 -14.712 -30.122 30 HE22 GLN 4 1HE2 GLN 4 -16.394 -15.867 -28.995 31 H THR 5 H THR 5 -20.021 -13.663 -31.290 32 HA THR 5 HA THR 5 -19.878 -11.550 -33.213 33 HB THR 5 HB THR 5 -19.921 -11.285 -30.194 34 HG1 THR 5 HG1 THR 5 -21.678 -12.420 -30.497 35 HG21 THR 5 3HG2 THR 5 -21.265 -9.229 -30.813 36 HG22 THR 5 1HG2 THR 5 -20.774 -9.502 -32.484 37 HG23 THR 5 2HG2 THR 5 -19.559 -9.162 -31.252 38 H CYS 6 H CYS 6 -18.242 -10.132 -33.701 39 HA CYS 6 HA CYS 6 -15.596 -10.624 -32.443 40 HB2 CYS 6 1HB CYS 6 -16.291 -8.833 -34.786 41 HB3 CYS 6 2HB CYS 6 -14.690 -9.411 -34.323 42 HG CYS 6 HG CYS 6 -15.400 -11.825 -35.009 43 H VAL 7 H VAL 7 -14.634 -9.181 -31.097 44 HA VAL 7 HA VAL 7 -15.545 -6.361 -31.007 45 HB VAL 7 HB VAL 7 -16.990 -7.505 -29.364 46 HG11 VAL 7 1HG1 VAL 7 -14.423 -8.300 -27.969 47 HG12 VAL 7 2HG1 VAL 7 -15.332 -9.395 -29.010 48 HG13 VAL 7 3HG1 VAL 7 -16.068 -8.766 -27.536 49 HG21 VAL 7 3HG2 VAL 7 -14.804 -6.048 -27.859 50 HG22 VAL 7 1HG2 VAL 7 -16.534 -6.063 -27.517 51 HG23 VAL 7 2HG2 VAL 7 -15.922 -5.204 -28.931 52 H GLU 8 H GLU 8 -13.294 -8.910 -30.166 53 HA GLU 8 HA GLU 8 -11.067 -7.041 -30.316 54 HB2 GLU 8 1HB GLU 8 -11.829 -6.657 -27.990 55 HB3 GLU 8 2HB GLU 8 -11.646 -8.379 -27.658 56 HG2 GLU 8 1HG GLU 8 -9.252 -8.254 -28.141 57 HG3 GLU 8 2HG GLU 8 -9.407 -6.554 -28.580 58 H ASN 9 H ASN 9 -9.541 -8.183 -31.350 59 HA ASN 9 HA ASN 9 -9.642 -11.020 -31.729 60 HB2 ASN 9 1HB ASN 9 -7.436 -8.982 -32.136 61 HB3 ASN 9 2HB ASN 9 -7.279 -10.675 -32.603 62 HD21 ASN 9 2HD2 ASN 9 -7.229 -8.537 -34.538 63 HD22 ASN 9 1HD2 ASN 9 -8.610 -8.681 -35.516 64 H GLU 10 H GLU 10 -7.780 -8.960 -29.517 65 HA GLU 10 HA GLU 10 -5.967 -10.819 -28.477 66 HB2 GLU 10 1HB GLU 10 -6.237 -8.326 -27.917 67 HB3 GLU 10 2HB GLU 10 -7.437 -8.840 -26.730 68 HG2 GLU 10 1HG GLU 10 -5.349 -8.709 -25.560 69 HG3 GLU 10 2HG GLU 10 -5.669 -10.426 -25.812 70 H VAL 11 H VAL 11 -6.025 -12.259 -26.693 71 HA VAL 11 HA VAL 11 -6.947 -13.913 -25.325 72 HB VAL 11 HB VAL 11 -9.449 -12.218 -25.192 73 HG11 VAL 11 1HG1 VAL 11 -9.617 -13.184 -22.961 74 HG12 VAL 11 2HG1 VAL 11 -8.049 -13.969 -23.148 75 HG13 VAL 11 3HG1 VAL 11 -9.416 -14.486 -24.135 76 HG21 VAL 11 3HG2 VAL 11 -6.740 -11.800 -23.908 77 HG22 VAL 11 1HG2 VAL 11 -8.216 -11.196 -23.154 78 HG23 VAL 11 2HG2 VAL 11 -7.745 -10.622 -24.753 79 H CYS 12 H CYS 12 -7.046 -15.384 -27.111 80 HA CYS 12 HA CYS 12 -9.693 -15.649 -28.474 81 HB2 CYS 12 1HB CYS 12 -7.439 -15.591 -29.737 82 HB3 CYS 12 2HB CYS 12 -7.186 -17.216 -29.103 83 HG CYS 12 HG CYS 12 -8.584 -16.962 -31.521 84 H GLU 13 H GLU 13 -9.882 -18.244 -29.027 85 HA GLU 13 HA GLU 13 -10.444 -19.463 -26.428 86 HB2 GLU 13 1HB GLU 13 -10.788 -20.431 -29.281 87 HB3 GLU 13 2HB GLU 13 -11.288 -21.360 -27.867 88 HG2 GLU 13 1HG GLU 13 -12.792 -19.563 -27.172 89 HG3 GLU 13 2HG GLU 13 -12.243 -18.554 -28.510 90 H ALA 14 H ALA 14 -7.657 -19.107 -28.064 91 HA ALA 14 HA ALA 14 -6.601 -21.814 -28.008 92 HB1 ALA 14 3HB ALA 14 -4.411 -20.668 -28.384 93 HB2 ALA 14 1HB ALA 14 -5.224 -19.115 -28.181 94 HB3 ALA 14 2HB ALA 14 -5.651 -20.164 -29.532 95 H CYS 15 H CYS 15 -7.360 -19.624 -25.590 96 HA CYS 15 HA CYS 15 -5.158 -19.929 -23.791 97 HB2 CYS 15 1HB CYS 15 -8.109 -19.442 -23.245 98 HB3 CYS 15 2HB CYS 15 -6.836 -19.302 -22.033 99 HG CYS 15 HG CYS 15 -6.609 -16.976 -22.873 100 H GLY 16 H GLY 16 -8.042 -21.896 -24.426 101 HA2 GLY 16 1HA GLY 16 -7.895 -24.343 -24.150 102 HA3 GLY 16 2HA GLY 16 -6.849 -24.088 -22.753 103 H CYS 17 H CYS 17 -8.116 -25.048 -21.184 104 HA CYS 17 HA CYS 17 -10.976 -24.565 -20.931 105 HB2 CYS 17 1HB CYS 17 -9.658 -26.589 -20.053 106 HB3 CYS 17 2HB CYS 17 -9.057 -25.531 -18.778 107 HG CYS 17 HG CYS 17 -12.065 -26.301 -19.142 108 H ALA 18 H ALA 18 -11.879 -22.742 -19.907 109 HA ALA 18 HA ALA 18 -10.054 -20.640 -19.103 110 HB1 ALA 18 3HB ALA 18 -12.264 -20.195 -20.152 111 HB2 ALA 18 1HB ALA 18 -12.020 -19.308 -18.645 112 HB3 ALA 18 2HB ALA 18 -13.044 -20.743 -18.668 113 H GLY 19 H GLY 19 -9.383 -20.020 -17.134 114 HA2 GLY 19 1HA GLY 19 -9.999 -21.777 -14.833 115 HA3 GLY 19 2HA GLY 19 -8.721 -20.565 -14.904 116 H GLU 20 H GLU 20 -11.850 -21.211 -13.788 117 HA GLU 20 HA GLU 20 -12.680 -18.390 -13.592 118 HB2 GLU 20 1HB GLU 20 -14.667 -19.323 -12.456 119 HB3 GLU 20 2HB GLU 20 -14.361 -20.158 -13.979 120 HG2 GLU 20 1HG GLU 20 -13.178 -21.953 -12.742 121 HG3 GLU 20 2HG GLU 20 -13.558 -21.140 -11.223 122 H ILE 21 H ILE 21 -10.252 -19.727 -12.178 123 HA ILE 21 HA ILE 21 -10.904 -19.430 -9.338 124 HB ILE 21 HB ILE 21 -8.471 -19.838 -9.014 125 HG12 ILE 21 1HG1 ILE 21 -8.381 -19.945 -12.050 126 HG13 ILE 21 2HG1 ILE 21 -7.726 -18.624 -11.083 127 HG21 ILE 21 1HG2 ILE 21 -8.476 -22.111 -9.817 128 HG22 ILE 21 2HG2 ILE 21 -9.632 -21.715 -11.089 129 HG23 ILE 21 3HG2 ILE 21 -10.139 -21.700 -9.399 130 HD11 ILE 21 3HD1 ILE 21 -5.865 -20.022 -11.496 131 HD12 ILE 21 1HD1 ILE 21 -6.795 -21.490 -11.197 132 HD13 ILE 21 2HD1 ILE 21 -6.362 -20.431 -9.855 133 H GLY 22 H GLY 22 -10.916 -17.171 -11.525 134 HA2 GLY 22 1HA GLY 22 -9.025 -15.208 -11.160 135 HA3 GLY 22 2HA GLY 22 -10.739 -14.829 -11.310 136 H PHE 23 H PHE 23 -8.073 -15.165 -9.064 137 HA PHE 23 HA PHE 23 -9.617 -13.620 -7.099 138 HB2 PHE 23 1HB PHE 23 -9.792 -16.326 -6.844 139 HB3 PHE 23 2HB PHE 23 -8.341 -16.047 -5.891 140 HD1 PHE 23 HD1 PHE 23 -9.077 -13.231 -4.882 141 HD2 PHE 23 HD2 PHE 23 -11.325 -16.889 -5.103 142 HE1 PHE 23 HE1 PHE 23 -10.507 -12.463 -3.018 143 HE2 PHE 23 HE2 PHE 23 -12.756 -16.113 -3.232 144 HZ PHE 23 HZ PHE 23 -12.350 -13.900 -2.193 145 H ILE 24 H ILE 24 -7.551 -14.637 -5.051 146 HA ILE 24 HA ILE 24 -5.711 -12.498 -5.298 147 HB ILE 24 HB ILE 24 -5.524 -15.087 -3.741 148 HG12 ILE 24 1HG1 ILE 24 -6.200 -12.277 -2.822 149 HG13 ILE 24 2HG1 ILE 24 -7.419 -13.474 -3.255 150 HG21 ILE 24 1HG2 ILE 24 -3.871 -13.729 -2.353 151 HG22 ILE 24 2HG2 ILE 24 -3.816 -12.591 -3.698 152 HG23 ILE 24 3HG2 ILE 24 -3.288 -14.257 -3.930 153 HD11 ILE 24 3HD1 ILE 24 -5.309 -13.838 -1.110 154 HD12 ILE 24 1HD1 ILE 24 -6.572 -14.996 -1.525 155 HD13 ILE 24 2HD1 ILE 24 -7.000 -13.441 -0.812 156 H ILE 25 H ILE 25 -3.688 -12.334 -6.177 157 HA ILE 25 HA ILE 25 -2.995 -14.033 -8.363 158 HB ILE 25 HB ILE 25 -1.343 -12.009 -6.829 159 HG12 ILE 25 1HG1 ILE 25 -2.779 -11.781 -9.490 160 HG13 ILE 25 2HG1 ILE 25 -3.475 -11.245 -7.960 161 HG21 ILE 25 1HG2 ILE 25 -0.029 -11.974 -9.013 162 HG22 ILE 25 2HG2 ILE 25 -0.868 -13.466 -9.438 163 HG23 ILE 25 3HG2 ILE 25 0.184 -13.421 -8.024 164 HD11 ILE 25 3HD1 ILE 25 -1.481 -9.770 -7.627 165 HD12 ILE 25 1HD1 ILE 25 -2.432 -9.340 -9.048 166 HD13 ILE 25 2HD1 ILE 25 -0.922 -10.229 -9.235 167 H ARG 26 H ARG 26 -1.644 -15.777 -8.505 168 HA ARG 26 HA ARG 26 -1.091 -17.372 -6.226 169 HB2 ARG 26 1HB ARG 26 -1.234 -18.246 -8.541 170 HB3 ARG 26 2HB ARG 26 0.284 -17.437 -8.930 171 HG2 ARG 26 1HG ARG 26 1.439 -18.768 -7.196 172 HG3 ARG 26 2HG ARG 26 -0.079 -19.581 -6.811 173 HD2 ARG 26 1HD ARG 26 1.250 -19.610 -9.537 174 HD3 ARG 26 2HD ARG 26 1.368 -20.913 -8.355 175 HE ARG 26 HE ARG 26 -0.992 -20.265 -9.984 176 HH11 ARG 26 1HH2 ARG 26 0.340 -21.840 -7.215 177 HH12 ARG 26 2HH2 ARG 26 -0.962 -22.972 -7.074 178 HH21 ARG 26 1HH1 ARG 26 -2.694 -21.734 -9.810 179 HH22 ARG 26 2HH1 ARG 26 -2.679 -22.912 -8.541 180 H GLU 27 H GLU 27 0.744 -17.678 -4.990 181 HA GLU 27 HA GLU 27 2.455 -15.480 -4.481 182 HB2 GLU 27 1HB GLU 27 2.743 -18.428 -3.855 183 HB3 GLU 27 2HB GLU 27 3.837 -17.193 -3.225 184 HG2 GLU 27 1HG GLU 27 1.959 -16.030 -2.169 185 HG3 GLU 27 2HG GLU 27 0.828 -17.199 -2.848 186 H GLY 28 H GLY 28 4.308 -14.795 -5.424 187 HA2 GLY 28 1HA GLY 28 6.294 -16.431 -6.612 188 HA3 GLY 28 2HA GLY 28 5.228 -15.874 -7.903 189 H ASP 29 H ASP 29 7.759 -15.006 -8.098 190 HA ASP 29 HA ASP 29 9.179 -13.130 -8.080 191 HB2 ASP 29 1HB ASP 29 6.420 -11.952 -8.425 192 HB3 ASP 29 2HB ASP 29 7.887 -10.980 -8.549 193 H ASP 30 H ASP 30 9.095 -10.641 -7.123 194 HA ASP 30 HA ASP 30 9.277 -11.058 -4.227 195 HB2 ASP 30 1HB ASP 30 9.895 -8.724 -6.057 196 HB3 ASP 30 2HB ASP 30 10.060 -8.626 -4.302 197 H VAL 31 H VAL 31 7.053 -11.328 -3.653 198 HA VAL 31 HA VAL 31 5.151 -9.164 -4.252 199 HB VAL 31 HB VAL 31 4.494 -11.597 -4.173 200 HG11 VAL 31 1HG1 VAL 31 4.340 -12.730 -2.077 201 HG12 VAL 31 2HG1 VAL 31 4.683 -11.254 -1.173 202 HG13 VAL 31 3HG1 VAL 31 5.957 -12.025 -2.121 203 HG21 VAL 31 3HG2 VAL 31 2.902 -9.636 -3.815 204 HG22 VAL 31 1HG2 VAL 31 3.058 -9.941 -2.086 205 HG23 VAL 31 2HG2 VAL 31 2.372 -11.176 -3.141 206 H ALA 32 H ALA 32 3.984 -8.070 -2.465 207 HA ALA 32 HA ALA 32 5.461 -7.946 0.116 208 HB1 ALA 32 3HB ALA 32 5.511 -5.474 0.015 209 HB2 ALA 32 1HB ALA 32 4.847 -5.531 -1.619 210 HB3 ALA 32 2HB ALA 32 6.451 -6.184 -1.297 211 H GLU 33 H GLU 33 4.095 -7.553 1.829 212 HA GLU 33 HA GLU 33 1.186 -7.310 1.182 213 HB2 GLU 33 1HB GLU 33 1.914 -9.230 2.581 214 HB3 GLU 33 2HB GLU 33 2.564 -8.098 3.768 215 HG2 GLU 33 1HG GLU 33 0.340 -7.153 4.137 216 HG3 GLU 33 2HG GLU 33 -0.336 -8.195 2.884 217 H VAL 34 H VAL 34 -0.029 -5.617 2.031 218 HA VAL 34 HA VAL 34 1.470 -3.492 3.545 219 HB VAL 34 HB VAL 34 -0.594 -3.233 1.339 220 HG11 VAL 34 1HG1 VAL 34 -1.246 -1.590 2.926 221 HG12 VAL 34 2HG1 VAL 34 -0.224 -0.724 1.780 222 HG13 VAL 34 3HG1 VAL 34 0.425 -1.214 3.345 223 HG21 VAL 34 3HG2 VAL 34 1.683 -3.516 0.546 224 HG22 VAL 34 1HG2 VAL 34 2.273 -2.307 1.684 225 HG23 VAL 34 2HG2 VAL 34 1.234 -1.823 0.344 226 H SER 35 H SER 35 0.545 -2.911 5.422 227 HA SER 35 HA SER 35 -2.215 -3.916 6.045 228 HB2 SER 35 1HB SER 35 0.197 -3.360 7.788 229 HB3 SER 35 2HB SER 35 -1.417 -3.610 8.448 230 HG SER 35 HG SER 35 -1.430 -5.657 7.570 231 H LEU 36 H LEU 36 -3.727 -2.340 6.187 232 HA LEU 36 HA LEU 36 -2.836 0.463 6.812 233 HB2 LEU 36 1HB LEU 36 -4.943 -0.611 4.941 234 HB3 LEU 36 2HB LEU 36 -4.968 1.062 5.492 235 HG LEU 36 HG LEU 36 -2.462 -0.126 4.286 236 HD11 LEU 36 1HD1 LEU 36 -3.244 0.926 2.118 237 HD12 LEU 36 2HD1 LEU 36 -4.846 1.061 2.845 238 HD13 LEU 36 3HD1 LEU 36 -4.122 -0.528 2.593 239 HD21 LEU 36 3HD2 LEU 36 -3.593 2.673 4.614 240 HD22 LEU 36 1HD2 LEU 36 -2.208 2.312 3.594 241 HD23 LEU 36 2HD2 LEU 36 -2.117 2.022 5.323 242 H PHE 37 H PHE 37 -4.163 1.676 8.187 243 HA PHE 37 HA PHE 37 -6.304 0.160 9.647 244 HB2 PHE 37 1HB PHE 37 -4.190 2.001 10.802 245 HB3 PHE 37 2HB PHE 37 -5.513 1.270 11.713 246 HD1 PHE 37 HD1 PHE 37 -5.685 -1.262 11.809 247 HD2 PHE 37 HD2 PHE 37 -2.203 0.778 10.338 248 HE1 PHE 37 HE1 PHE 37 -4.347 -3.326 12.112 249 HE2 PHE 37 HE2 PHE 37 -0.864 -1.287 10.644 250 HZ PHE 37 HZ PHE 37 -1.937 -3.340 11.531 251 H GLY 38 H GLY 38 -8.076 1.436 10.307 252 HA2 GLY 38 1HA GLY 38 -8.144 4.288 10.198 253 HA3 GLY 38 2HA GLY 38 -8.763 3.646 8.676 254 H SER 39 H SER 39 -10.665 4.933 9.832 255 HA SER 39 HA SER 39 -12.113 3.308 11.820 256 HB2 SER 39 1HB SER 39 -13.845 5.172 11.478 257 HB3 SER 39 2HB SER 39 -12.290 5.658 12.150 258 HG SER 39 HG SER 39 -13.375 6.080 9.604 259 H ASP 40 H ASP 40 -13.543 4.908 9.003 260 HA ASP 40 HA ASP 40 -15.168 2.502 8.491 261 HB2 ASP 40 1HB ASP 40 -16.354 3.939 6.881 262 HB3 ASP 40 2HB ASP 40 -16.227 4.727 8.453 263 H LYS 41 H LYS 41 -15.466 1.860 6.148 264 HA LYS 41 HA LYS 41 -12.965 1.018 5.033 265 HB2 LYS 41 1HB LYS 41 -15.139 -0.182 4.752 266 HB3 LYS 41 2HB LYS 41 -15.679 1.118 3.690 267 HG2 LYS 41 1HG LYS 41 -13.827 0.666 2.151 268 HG3 LYS 41 2HG LYS 41 -13.218 -0.590 3.229 269 HD2 LYS 41 1HD LYS 41 -15.327 -1.849 2.950 270 HD3 LYS 41 2HD LYS 41 -15.922 -0.600 1.855 271 HE2 LYS 41 1HE LYS 41 -14.057 -1.036 0.316 272 HE3 LYS 41 2HE LYS 41 -13.422 -2.260 1.415 273 HZ1 LYS 41 3HZ LYS 41 -15.046 -2.833 -0.589 274 HZ2 LYS 41 1HZ LYS 41 -16.207 -2.541 0.612 275 HZ3 LYS 41 2HZ LYS 41 -15.018 -3.730 0.853 276 H ALA 42 H ALA 42 -15.162 3.686 4.252 277 HA ALA 42 HA ALA 42 -14.043 4.469 1.775 278 HB1 ALA 42 3HB ALA 42 -16.088 5.481 2.550 279 HB2 ALA 42 1HB ALA 42 -14.891 6.767 2.400 280 HB3 ALA 42 2HB ALA 42 -15.292 6.115 3.989 281 H HIS 43 H HIS 43 -13.051 5.343 5.083 282 HA HIS 43 HA HIS 43 -11.031 7.218 4.322 283 HB2 HIS 43 1HB HIS 43 -11.926 6.950 6.636 284 HB3 HIS 43 2HB HIS 43 -11.087 5.404 6.754 285 HD1 HIS 43 HD1 HIS 43 -10.329 9.092 6.203 286 HD2 HIS 43 HD2 HIS 43 -8.413 5.618 7.479 287 HE1 HIS 43 HE1 HIS 43 -8.041 9.798 7.027 288 H LEU 44 H LEU 44 -10.928 3.710 4.880 289 HA LEU 44 HA LEU 44 -8.109 3.392 4.541 290 HB2 LEU 44 1HB LEU 44 -10.418 1.492 4.057 291 HB3 LEU 44 2HB LEU 44 -8.727 1.001 4.016 292 HG LEU 44 HG LEU 44 -10.041 2.348 6.395 293 HD11 LEU 44 1HD1 LEU 44 -9.364 -0.583 6.064 294 HD12 LEU 44 2HD1 LEU 44 -10.980 0.075 5.827 295 HD13 LEU 44 3HD1 LEU 44 -10.214 0.170 7.411 296 HD21 LEU 44 3HD2 LEU 44 -7.294 1.254 5.819 297 HD22 LEU 44 1HD2 LEU 44 -7.928 1.111 7.458 298 HD23 LEU 44 2HD2 LEU 44 -7.760 2.698 6.718 299 H GLU 45 H GLU 45 -10.795 3.317 2.213 300 HA GLU 45 HA GLU 45 -9.258 2.509 -0.052 301 HB2 GLU 45 1HB GLU 45 -11.766 4.198 0.166 302 HB3 GLU 45 2HB GLU 45 -11.115 3.598 -1.361 303 HG2 GLU 45 1HG GLU 45 -11.331 1.286 -0.577 304 HG3 GLU 45 2HG GLU 45 -11.911 1.852 0.990 305 H GLY 46 H GLY 46 -9.936 5.731 1.315 306 HA2 GLY 46 1HA GLY 46 -8.713 7.214 -0.813 307 HA3 GLY 46 2HA GLY 46 -8.960 7.812 0.829 308 H LYS 47 H LYS 47 -7.418 6.005 2.290 309 HA LYS 47 HA LYS 47 -4.780 7.059 1.926 310 HB2 LYS 47 1HB LYS 47 -5.884 6.087 4.061 311 HB3 LYS 47 2HB LYS 47 -5.418 4.512 3.424 312 HG2 LYS 47 1HG LYS 47 -3.549 5.019 4.720 313 HG3 LYS 47 2HG LYS 47 -3.041 5.656 3.157 314 HD2 LYS 47 1HD LYS 47 -3.840 7.916 3.847 315 HD3 LYS 47 2HD LYS 47 -4.277 7.255 5.422 316 HE2 LYS 47 1HE LYS 47 -1.482 7.120 4.263 317 HE3 LYS 47 2HE LYS 47 -2.022 8.377 5.377 318 HZ1 LYS 47 3HZ LYS 47 -1.594 5.517 5.865 319 HZ2 LYS 47 1HZ LYS 47 -2.782 6.324 6.768 320 HZ3 LYS 47 2HZ LYS 47 -1.169 6.853 6.823 321 H LEU 48 H LEU 48 -6.329 4.047 0.932 322 HA LEU 48 HA LEU 48 -3.991 2.661 0.087 323 HB2 LEU 48 1HB LEU 48 -6.224 1.601 0.329 324 HB3 LEU 48 2HB LEU 48 -6.798 2.517 -1.062 325 HG LEU 48 HG LEU 48 -5.063 1.425 -2.472 326 HD11 LEU 48 1HD1 LEU 48 -3.292 0.797 -1.084 327 HD12 LEU 48 2HD1 LEU 48 -4.100 -0.749 -1.320 328 HD13 LEU 48 3HD1 LEU 48 -4.359 0.160 0.170 329 HD21 LEU 48 3HD2 LEU 48 -7.259 0.442 -2.465 330 HD22 LEU 48 1HD2 LEU 48 -6.958 -0.358 -0.923 331 HD23 LEU 48 2HD2 LEU 48 -6.100 -0.884 -2.370 332 H ALA 49 H ALA 49 -6.092 4.978 -1.580 333 HA ALA 49 HA ALA 49 -5.064 4.764 -4.187 334 HB1 ALA 49 3HB ALA 49 -5.760 7.397 -2.872 335 HB2 ALA 49 1HB ALA 49 -6.988 6.221 -3.341 336 HB3 ALA 49 2HB ALA 49 -5.951 6.947 -4.567 337 H GLU 50 H GLU 50 -3.701 6.396 -1.365 338 HA GLU 50 HA GLU 50 -1.647 7.847 -2.745 339 HB2 GLU 50 1HB GLU 50 -1.721 6.735 0.078 340 HB3 GLU 50 2HB GLU 50 -0.539 7.903 -0.512 341 HG2 GLU 50 1HG GLU 50 -3.539 8.348 -0.509 342 HG3 GLU 50 2HG GLU 50 -2.432 8.982 0.708 343 H TYR 51 H TYR 51 -1.744 4.600 -1.318 344 HA TYR 51 HA TYR 51 0.995 3.924 -1.687 345 HB2 TYR 51 1HB TYR 51 -1.559 2.322 -1.509 346 HB3 TYR 51 2HB TYR 51 -0.018 1.516 -1.801 347 HD1 TYR 51 HD2 TYR 51 -1.359 4.239 0.436 348 HD2 TYR 51 HD1 TYR 51 1.081 0.716 0.099 349 HE1 TYR 51 HE2 TYR 51 -0.836 4.370 2.851 350 HE2 TYR 51 HE1 TYR 51 1.599 0.849 2.518 351 HH TYR 51 HH TYR 51 0.009 3.200 4.614 352 H ILE 52 H ILE 52 -1.799 3.648 -3.856 353 HA ILE 52 HA ILE 52 -0.464 2.212 -5.935 354 HB ILE 52 HB ILE 52 -2.701 4.233 -6.243 355 HG12 ILE 52 1HG1 ILE 52 -3.322 2.679 -4.485 356 HG13 ILE 52 2HG1 ILE 52 -4.201 2.238 -5.945 357 HG21 ILE 52 1HG2 ILE 52 -3.341 2.719 -8.132 358 HG22 ILE 52 2HG2 ILE 52 -1.849 1.818 -7.862 359 HG23 ILE 52 3HG2 ILE 52 -1.779 3.505 -8.367 360 HD11 ILE 52 3HD1 ILE 52 -2.172 0.622 -6.365 361 HD12 ILE 52 1HD1 ILE 52 -3.411 0.166 -5.197 362 HD13 ILE 52 2HD1 ILE 52 -1.881 0.841 -4.639 363 H SER 53 H SER 53 -0.868 5.719 -5.376 364 HA SER 53 HA SER 53 0.384 6.594 -7.775 365 HB2 SER 53 1HB SER 53 0.349 7.886 -5.033 366 HB3 SER 53 2HB SER 53 0.810 8.703 -6.524 367 HG SER 53 HG SER 53 -1.432 8.960 -5.879 368 H LEU 54 H LEU 54 1.834 6.137 -4.523 369 HA LEU 54 HA LEU 54 4.516 6.693 -5.383 370 HB2 LEU 54 1HB LEU 54 3.282 5.348 -2.988 371 HB3 LEU 54 2HB LEU 54 5.027 5.253 -3.221 372 HG LEU 54 HG LEU 54 5.181 7.697 -3.286 373 HD11 LEU 54 1HD1 LEU 54 3.065 8.270 -4.308 374 HD12 LEU 54 2HD1 LEU 54 3.114 9.030 -2.717 375 HD13 LEU 54 3HD1 LEU 54 2.171 7.561 -2.963 376 HD21 LEU 54 3HD2 LEU 54 3.445 6.945 -0.926 377 HD22 LEU 54 1HD2 LEU 54 4.773 8.105 -0.969 378 HD23 LEU 54 2HD2 LEU 54 5.107 6.377 -1.088 379 H ALA 55 H ALA 55 2.675 3.670 -5.068 380 HA ALA 55 HA ALA 55 4.839 1.920 -5.732 381 HB1 ALA 55 3HB ALA 55 2.614 1.265 -4.719 382 HB2 ALA 55 1HB ALA 55 3.145 0.240 -6.050 383 HB3 ALA 55 2HB ALA 55 1.902 1.464 -6.319 384 H LYS 56 H LYS 56 2.431 3.604 -7.741 385 HA LYS 56 HA LYS 56 3.125 2.355 -10.211 386 HB2 LYS 56 1HB LYS 56 1.072 3.731 -9.804 387 HB3 LYS 56 2HB LYS 56 2.091 5.171 -9.754 388 HG2 LYS 56 1HG LYS 56 2.862 4.722 -12.036 389 HG3 LYS 56 2HG LYS 56 1.879 3.260 -12.090 390 HD2 LYS 56 1HD LYS 56 -0.160 4.618 -11.764 391 HD3 LYS 56 2HD LYS 56 0.825 6.081 -11.729 392 HE2 LYS 56 1HE LYS 56 0.068 5.973 -13.963 393 HE3 LYS 56 2HE LYS 56 1.697 5.305 -14.046 394 HZ1 LYS 56 3HZ LYS 56 -0.741 4.070 -14.706 395 HZ2 LYS 56 1HZ LYS 56 -0.035 3.217 -13.420 396 HZ3 LYS 56 2HZ LYS 56 0.836 3.455 -14.860 397 H GLN 57 H GLN 57 4.266 5.350 -8.656 398 HA GLN 57 HA GLN 57 6.078 6.096 -10.750 399 HB2 GLN 57 1HB GLN 57 5.769 6.798 -7.835 400 HB3 GLN 57 2HB GLN 57 7.193 7.356 -8.714 401 HG2 GLN 57 1HG GLN 57 5.364 9.034 -8.756 402 HG3 GLN 57 2HG GLN 57 5.762 8.459 -10.374 403 HE21 GLN 57 2HE2 GLN 57 3.169 8.981 -8.255 404 HE22 GLN 57 1HE2 GLN 57 2.016 8.003 -9.026 405 H VAL 58 H VAL 58 6.527 4.237 -7.739 406 HA VAL 58 HA VAL 58 9.345 3.859 -8.031 407 HB VAL 58 HB VAL 58 7.223 2.201 -6.640 408 HG11 VAL 58 1HG1 VAL 58 9.274 1.278 -5.394 409 HG12 VAL 58 2HG1 VAL 58 10.229 1.903 -6.740 410 HG13 VAL 58 3HG1 VAL 58 9.000 0.672 -7.026 411 HG21 VAL 58 3HG2 VAL 58 7.911 3.329 -4.665 412 HG22 VAL 58 1HG2 VAL 58 7.806 4.596 -5.887 413 HG23 VAL 58 2HG2 VAL 58 9.378 3.941 -5.429 414 H TYR 59 H TYR 59 6.575 1.846 -9.049 415 HA TYR 59 HA TYR 59 8.366 0.561 -11.072 416 HB2 TYR 59 1HB TYR 59 8.201 -0.944 -9.116 417 HB3 TYR 59 2HB TYR 59 6.442 -0.910 -9.247 418 HD1 TYR 59 HD2 TYR 59 9.473 -1.542 -11.366 419 HD2 TYR 59 HD1 TYR 59 5.399 -2.575 -10.510 420 HE1 TYR 59 HE2 TYR 59 9.571 -3.342 -13.069 421 HE2 TYR 59 HE1 TYR 59 5.490 -4.372 -12.214 422 HH TYR 59 HH TYR 59 7.232 -5.774 -13.307 423 H ALA 60 H ALA 60 7.472 0.910 -13.000 424 HA ALA 60 HA ALA 60 4.766 1.825 -13.355 425 HB1 ALA 60 3HB ALA 60 6.767 0.782 -15.379 426 HB2 ALA 60 1HB ALA 60 6.570 2.465 -14.887 427 HB3 ALA 60 2HB ALA 60 5.280 1.647 -15.768 428 H ASN 61 H ASN 61 3.039 0.735 -14.461 429 HA ASN 61 HA ASN 61 1.606 -1.075 -14.822 430 HB2 ASN 61 1HB ASN 61 4.259 -2.358 -15.545 431 HB3 ASN 61 2HB ASN 61 2.699 -3.142 -15.781 432 HD21 ASN 61 2HD2 ASN 61 4.465 -2.392 -17.982 433 HD22 ASN 61 1HD2 ASN 61 3.656 -1.211 -18.894 434 H VAL 62 H VAL 62 2.508 -0.597 -12.138 435 HA VAL 62 HA VAL 62 3.202 -3.113 -10.876 436 HB VAL 62 HB VAL 62 3.668 -0.865 -9.870 437 HG11 VAL 62 1HG1 VAL 62 1.913 0.457 -8.948 438 HG12 VAL 62 2HG1 VAL 62 0.726 -0.828 -9.167 439 HG13 VAL 62 3HG1 VAL 62 1.366 0.029 -10.568 440 HG21 VAL 62 3HG2 VAL 62 3.081 -1.521 -7.585 441 HG22 VAL 62 1HG2 VAL 62 3.579 -2.944 -8.497 442 HG23 VAL 62 2HG2 VAL 62 1.868 -2.645 -8.196 443 H GLU 63 H GLU 63 1.870 -4.655 -10.009 444 HA GLU 63 HA GLU 63 -1.091 -4.292 -10.395 445 HB2 GLU 63 1HB GLU 63 -0.043 -6.044 -11.832 446 HB3 GLU 63 2HB GLU 63 0.521 -6.866 -10.377 447 HG2 GLU 63 1HG GLU 63 -1.785 -7.155 -9.607 448 HG3 GLU 63 2HG GLU 63 -2.383 -6.261 -11.004 449 H TYR 64 H TYR 64 -2.421 -4.799 -8.657 450 HA TYR 64 HA TYR 64 -1.236 -6.024 -6.229 451 HB2 TYR 64 1HB TYR 64 -2.055 -4.184 -4.795 452 HB3 TYR 64 2HB TYR 64 -0.836 -3.618 -5.934 453 HD1 TYR 64 HD2 TYR 64 -1.453 -2.231 -7.866 454 HD2 TYR 64 HD1 TYR 64 -4.392 -3.527 -5.014 455 HE1 TYR 64 HE2 TYR 64 -3.050 -0.552 -8.750 456 HE2 TYR 64 HE1 TYR 64 -5.989 -1.847 -5.897 457 HH TYR 64 HH TYR 64 -5.645 0.510 -7.187 458 H GLU 65 H GLU 65 -2.936 -6.586 -4.643 459 HA GLU 65 HA GLU 65 -5.720 -6.596 -5.723 460 HB2 GLU 65 1HB GLU 65 -4.614 -8.741 -6.403 461 HB3 GLU 65 2HB GLU 65 -4.285 -9.074 -4.704 462 HG2 GLU 65 1HG GLU 65 -6.301 -10.257 -5.300 463 HG3 GLU 65 2HG GLU 65 -6.776 -8.905 -4.278 464 H VAL 66 H VAL 66 -7.292 -6.688 -4.097 465 HA VAL 66 HA VAL 66 -6.257 -6.395 -1.295 466 HB VAL 66 HB VAL 66 -8.238 -4.951 -0.917 467 HG11 VAL 66 1HG1 VAL 66 -7.353 -3.014 -2.217 468 HG12 VAL 66 2HG1 VAL 66 -6.357 -4.134 -3.146 469 HG13 VAL 66 3HG1 VAL 66 -6.080 -3.935 -1.416 470 HG21 VAL 66 3HG2 VAL 66 -9.770 -5.673 -2.603 471 HG22 VAL 66 1HG2 VAL 66 -8.589 -5.414 -3.888 472 HG23 VAL 66 2HG2 VAL 66 -9.302 -4.035 -3.057 473 H ALA 67 H ALA 67 -6.985 -7.819 0.140 474 HA ALA 67 HA ALA 67 -8.743 -9.947 -0.669 475 HB1 ALA 67 3HB ALA 67 -7.825 -10.979 1.148 476 HB2 ALA 67 1HB ALA 67 -8.433 -9.732 2.239 477 HB3 ALA 67 2HB ALA 67 -6.895 -9.506 1.410 478 HA PRO 68 HA PRO 68 -12.845 -8.764 0.482 479 HB2 PRO 68 1HB PRO 68 -12.736 -10.546 2.905 480 HB3 PRO 68 2HB PRO 68 -13.960 -10.471 1.619 481 HG2 PRO 68 1HG PRO 68 -12.186 -12.438 1.681 482 HG3 PRO 68 2HG PRO 68 -12.665 -11.697 0.142 483 HD2 PRO 68 1HD PRO 68 -10.119 -11.348 1.687 484 HD3 PRO 68 2HD PRO 68 -10.387 -11.359 -0.070 485 H VAL 69 H VAL 69 -13.500 -6.894 1.476 486 HA VAL 69 HA VAL 69 -12.514 -6.288 4.245 487 HB VAL 69 HB VAL 69 -12.586 -4.449 1.836 488 HG11 VAL 69 1HG1 VAL 69 -11.741 -2.742 3.572 489 HG12 VAL 69 2HG1 VAL 69 -12.386 -3.843 4.789 490 HG13 VAL 69 3HG1 VAL 69 -13.464 -3.117 3.598 491 HG21 VAL 69 3HG2 VAL 69 -10.241 -4.291 2.138 492 HG22 VAL 69 1HG2 VAL 69 -10.585 -6.003 2.369 493 HG23 VAL 69 2HG2 VAL 69 -10.318 -4.963 3.767 494 H ALA 70 H ALA 70 -14.104 -5.601 5.600 495 HA ALA 70 HA ALA 70 -16.861 -5.566 4.593 496 HB1 ALA 70 3HB ALA 70 -17.345 -5.111 7.068 497 HB2 ALA 70 1HB ALA 70 -15.613 -5.314 7.332 498 HB3 ALA 70 2HB ALA 70 -16.571 -6.650 6.691 499 H ASP 71 H ASP 71 -18.322 -3.758 5.074 500 HA ASP 71 HA ASP 71 -17.299 -1.218 4.235 501 HB2 ASP 71 1HB ASP 71 -19.670 -2.013 3.981 502 HB3 ASP 71 2HB ASP 71 -19.882 -1.781 5.716 503 H ASN 72 H ASN 72 -18.000 -2.587 7.424 504 HA ASN 72 HA ASN 72 -17.203 -0.033 8.735 505 HB2 ASN 72 1HB ASN 72 -18.001 -1.092 10.798 506 HB3 ASN 72 2HB ASN 72 -19.232 -1.228 9.542 507 HD21 ASN 72 2HD2 ASN 72 -19.816 -3.118 11.186 508 HD22 ASN 72 1HD2 ASN 72 -19.131 -4.630 10.828 509 H ALA 73 H ALA 73 -15.445 -2.180 7.319 510 HA ALA 73 HA ALA 73 -13.806 -3.448 9.277 511 HB1 ALA 73 3HB ALA 73 -12.245 -3.816 7.505 512 HB2 ALA 73 1HB ALA 73 -12.847 -2.429 6.598 513 HB3 ALA 73 2HB ALA 73 -13.845 -3.874 6.763 514 H THR 74 H THR 74 -11.918 -2.786 10.308 515 HA THR 74 HA THR 74 -11.423 0.161 10.353 516 HB THR 74 HB THR 74 -10.324 -0.257 12.495 517 HG1 THR 74 HG1 THR 74 -9.959 -2.618 11.516 518 HG21 THR 74 3HG2 THR 74 -13.010 -1.604 12.137 519 HG22 THR 74 1HG2 THR 74 -12.696 0.050 12.662 520 HG23 THR 74 2HG2 THR 74 -12.289 -1.304 13.718 521 H GLU 75 H GLU 75 -10.220 -2.581 8.885 522 HA GLU 75 HA GLU 75 -7.647 -1.222 8.335 523 HB2 GLU 75 1HB GLU 75 -6.334 -3.255 8.799 524 HB3 GLU 75 2HB GLU 75 -7.138 -2.681 10.258 525 HG2 GLU 75 1HG GLU 75 -8.961 -4.330 9.879 526 HG3 GLU 75 2HG GLU 75 -8.101 -4.931 8.461 527 H LEU 76 H LEU 76 -6.576 -2.148 6.438 528 HA LEU 76 HA LEU 76 -8.356 -3.865 4.743 529 HB2 LEU 76 1HB LEU 76 -8.626 -1.525 4.049 530 HB3 LEU 76 2HB LEU 76 -6.882 -1.355 3.881 531 HG LEU 76 HG LEU 76 -8.020 -3.657 2.371 532 HD11 LEU 76 1HD1 LEU 76 -8.976 -2.298 0.579 533 HD12 LEU 76 2HD1 LEU 76 -8.643 -0.824 1.489 534 HD13 LEU 76 3HD1 LEU 76 -9.833 -1.979 2.087 535 HD21 LEU 76 3HD2 LEU 76 -5.674 -2.931 2.133 536 HD22 LEU 76 1HD2 LEU 76 -6.215 -1.336 1.605 537 HD23 LEU 76 2HD2 LEU 76 -6.538 -2.752 0.606 538 H HIS 77 H HIS 77 -7.293 -5.478 3.725 539 HA HIS 77 HA HIS 77 -4.323 -5.614 4.059 540 HB2 HIS 77 1HB HIS 77 -6.390 -7.756 3.465 541 HB3 HIS 77 2HB HIS 77 -4.653 -8.042 3.608 542 HD1 HIS 77 HD1 HIS 77 -3.617 -7.078 6.004 543 HD2 HIS 77 HD2 HIS 77 -7.688 -7.973 5.892 544 HE1 HIS 77 HE1 HIS 77 -4.366 -7.313 8.412 545 H ALA 78 H ALA 78 -3.044 -5.474 2.273 546 HA ALA 78 HA ALA 78 -4.207 -6.063 -0.403 547 HB1 ALA 78 3HB ALA 78 -2.606 -3.553 0.097 548 HB2 ALA 78 1HB ALA 78 -4.368 -3.566 0.152 549 HB3 ALA 78 2HB ALA 78 -3.529 -3.982 -1.343 550 H ARG 79 H ARG 79 -2.592 -6.504 -2.006 551 HA ARG 79 HA ARG 79 0.157 -7.021 -0.912 552 HB2 ARG 79 1HB ARG 79 -1.549 -8.799 -2.678 553 HB3 ARG 79 2HB ARG 79 0.173 -9.058 -2.394 554 HG2 ARG 79 1HG ARG 79 -0.216 -9.285 0.003 555 HG3 ARG 79 2HG ARG 79 -1.929 -8.920 -0.212 556 HD2 ARG 79 1HD ARG 79 -1.647 -11.335 -0.029 557 HD3 ARG 79 2HD ARG 79 -2.127 -10.934 -1.679 558 HE ARG 79 HE ARG 79 0.732 -10.984 -1.516 559 HH11 ARG 79 1HH2 ARG 79 -2.070 -12.998 -1.421 560 HH12 ARG 79 2HH2 ARG 79 -1.257 -14.382 -2.070 561 HH21 ARG 79 1HH1 ARG 79 1.805 -12.781 -2.363 562 HH22 ARG 79 2HH1 ARG 79 0.935 -14.260 -2.604 563 H PHE 80 H PHE 80 1.841 -6.707 -2.407 564 HA PHE 80 HA PHE 80 1.077 -5.505 -5.053 565 HB2 PHE 80 1HB PHE 80 3.071 -4.523 -2.999 566 HB3 PHE 80 2HB PHE 80 3.106 -4.000 -4.683 567 HD1 PHE 80 HD2 PHE 80 1.007 -4.110 -1.614 568 HD2 PHE 80 HD1 PHE 80 1.538 -2.418 -5.523 569 HE1 PHE 80 HE2 PHE 80 -0.792 -2.468 -1.146 570 HE2 PHE 80 HE1 PHE 80 -0.261 -0.781 -5.061 571 HZ PHE 80 HZ PHE 80 -1.429 -0.803 -2.871 572 H LYS 81 H LYS 81 2.513 -5.952 -6.746 573 HA LYS 81 HA LYS 81 4.546 -8.085 -6.181 574 HB2 LYS 81 1HB LYS 81 2.987 -7.502 -8.716 575 HB3 LYS 81 2HB LYS 81 4.162 -8.800 -8.513 576 HG2 LYS 81 1HG LYS 81 1.772 -8.557 -6.681 577 HG3 LYS 81 2HG LYS 81 1.653 -9.391 -8.229 578 HD2 LYS 81 1HD LYS 81 3.488 -10.903 -7.557 579 HD3 LYS 81 2HD LYS 81 3.601 -10.085 -6.004 580 HE2 LYS 81 1HE LYS 81 1.273 -10.699 -5.496 581 HE3 LYS 81 2HE LYS 81 1.159 -11.531 -7.047 582 HZ1 LYS 81 3HZ LYS 81 2.701 -12.258 -4.657 583 HZ2 LYS 81 1HZ LYS 81 3.274 -12.733 -6.180 584 HZ3 LYS 81 2HZ LYS 81 1.738 -13.237 -5.658 585 H PHE 82 H PHE 82 6.435 -7.001 -5.982 586 HA PHE 82 HA PHE 82 7.062 -4.809 -7.901 587 HB2 PHE 82 1HB PHE 82 8.354 -5.741 -5.328 588 HB3 PHE 82 2HB PHE 82 9.048 -4.495 -6.366 589 HD1 PHE 82 HD2 PHE 82 7.494 -2.512 -7.022 590 HD2 PHE 82 HD1 PHE 82 6.734 -5.149 -3.718 591 HE1 PHE 82 HE2 PHE 82 5.986 -0.820 -6.020 592 HE2 PHE 82 HE1 PHE 82 5.221 -3.458 -2.717 593 HZ PHE 82 HZ PHE 82 4.848 -1.292 -3.868 594 H GLU 83 H GLU 83 8.934 -4.891 -9.198 595 HA GLU 83 HA GLU 83 9.630 -7.463 -10.246 596 HB2 GLU 83 1HB GLU 83 9.768 -5.325 -11.524 597 HB3 GLU 83 2HB GLU 83 11.142 -4.853 -10.526 598 HG2 GLU 83 1HG GLU 83 12.405 -6.809 -11.293 599 HG3 GLU 83 2HG GLU 83 11.022 -7.343 -12.252 600 H VAL 84 H VAL 84 11.217 -5.321 -7.893 601 HA VAL 84 HA VAL 84 13.071 -7.582 -7.215 602 HB VAL 84 HB VAL 84 14.861 -5.898 -6.834 603 HG11 VAL 84 1HG1 VAL 84 15.419 -5.595 -9.166 604 HG12 VAL 84 2HG1 VAL 84 13.726 -5.737 -9.639 605 HG13 VAL 84 3HG1 VAL 84 14.587 -7.143 -9.011 606 HG21 VAL 84 3HG2 VAL 84 13.455 -3.928 -6.456 607 HG22 VAL 84 1HG2 VAL 84 12.838 -4.023 -8.106 608 HG23 VAL 84 2HG2 VAL 84 14.533 -3.627 -7.819 609 H SER 85 H SER 85 13.834 -7.533 -5.023 610 HA SER 85 HA SER 85 11.812 -6.746 -3.122 611 HB2 SER 85 1HB SER 85 13.327 -8.716 -2.846 612 HB3 SER 85 2HB SER 85 14.677 -7.610 -2.615 613 HG SER 85 HG SER 85 12.322 -7.400 -1.075 614 H ALA 86 H ALA 86 14.506 -5.129 -4.517 615 HA ALA 86 HA ALA 86 15.224 -3.364 -2.391 616 HB1 ALA 86 3HB ALA 86 15.218 -2.607 -5.320 617 HB2 ALA 86 1HB ALA 86 16.400 -3.732 -4.649 618 HB3 ALA 86 2HB ALA 86 16.329 -2.073 -4.058 619 H GLU 87 H GLU 87 12.747 -3.122 -4.920 620 HA GLU 87 HA GLU 87 11.862 -0.477 -4.255 621 HB2 GLU 87 1HB GLU 87 10.459 -2.815 -5.581 622 HB3 GLU 87 2HB GLU 87 9.766 -1.197 -5.470 623 HG2 GLU 87 1HG GLU 87 11.626 -0.261 -6.730 624 HG3 GLU 87 2HG GLU 87 12.446 -1.823 -6.745 625 H LYS 88 H LYS 88 11.076 -3.683 -3.035 626 HA LYS 88 HA LYS 88 8.750 -2.988 -1.531 627 HB2 LYS 88 1HB LYS 88 9.462 -5.318 -2.010 628 HB3 LYS 88 2HB LYS 88 10.841 -5.105 -0.932 629 HG2 LYS 88 1HG LYS 88 9.333 -4.697 0.956 630 HG3 LYS 88 2HG LYS 88 7.935 -4.836 -0.109 631 HD2 LYS 88 1HD LYS 88 8.576 -7.164 -0.640 632 HD3 LYS 88 2HD LYS 88 9.962 -7.024 0.442 633 HE2 LYS 88 1HE LYS 88 8.452 -6.600 2.339 634 HE3 LYS 88 2HE LYS 88 7.060 -6.712 1.265 635 HZ1 LYS 88 3HZ LYS 88 8.398 -8.995 0.743 636 HZ2 LYS 88 1HZ LYS 88 7.085 -8.863 1.809 637 HZ3 LYS 88 2HZ LYS 88 8.673 -8.804 2.409 638 H LEU 89 H LEU 89 12.208 -3.024 -0.635 639 HA LEU 89 HA LEU 89 11.834 -2.317 2.101 640 HB2 LEU 89 1HB LEU 89 14.132 -1.704 0.217 641 HB3 LEU 89 2HB LEU 89 14.206 -1.557 1.973 642 HG LEU 89 HG LEU 89 13.573 -4.121 0.477 643 HD11 LEU 89 1HD1 LEU 89 16.117 -3.252 1.881 644 HD12 LEU 89 2HD1 LEU 89 15.901 -3.355 0.134 645 HD13 LEU 89 3HD1 LEU 89 15.840 -4.817 1.119 646 HD21 LEU 89 3HD2 LEU 89 14.256 -4.992 2.893 647 HD22 LEU 89 1HD2 LEU 89 12.614 -4.435 2.584 648 HD23 LEU 89 2HD2 LEU 89 13.767 -3.372 3.390 649 H ILE 90 H ILE 90 12.475 -0.245 -0.746 650 HA ILE 90 HA ILE 90 12.277 2.215 0.769 651 HB ILE 90 HB ILE 90 12.263 1.518 -2.174 652 HG12 ILE 90 1HG1 ILE 90 14.386 2.674 -2.170 653 HG13 ILE 90 2HG1 ILE 90 14.105 3.297 -0.545 654 HG21 ILE 90 1HG2 ILE 90 11.665 4.186 -0.879 655 HG22 ILE 90 2HG2 ILE 90 10.791 3.382 -2.181 656 HG23 ILE 90 3HG2 ILE 90 12.377 4.088 -2.490 657 HD11 ILE 90 3HD1 ILE 90 14.348 1.135 0.434 658 HD12 ILE 90 1HD1 ILE 90 15.666 1.274 -0.729 659 HD13 ILE 90 2HD1 ILE 90 14.230 0.333 -1.133 660 H PHE 91 H PHE 91 10.027 0.421 -1.315 661 HA PHE 91 HA PHE 91 7.870 2.249 -1.210 662 HB2 PHE 91 1HB PHE 91 7.975 0.300 -2.731 663 HB3 PHE 91 2HB PHE 91 7.764 -0.780 -1.353 664 HD1 PHE 91 HD1 PHE 91 6.169 2.250 -2.897 665 HD2 PHE 91 HD2 PHE 91 5.590 -1.469 -0.824 666 HE1 PHE 91 HE1 PHE 91 3.712 2.530 -3.080 667 HE2 PHE 91 HE2 PHE 91 3.134 -1.189 -1.009 668 HZ PHE 91 HZ PHE 91 2.194 0.809 -2.138 669 H GLU 92 H GLU 92 8.667 -0.469 0.960 670 HA GLU 92 HA GLU 92 6.375 -0.219 2.638 671 HB2 GLU 92 1HB GLU 92 8.022 -2.139 2.567 672 HB3 GLU 92 2HB GLU 92 9.138 -1.125 3.481 673 HG2 GLU 92 1HG GLU 92 7.966 -2.474 5.082 674 HG3 GLU 92 2HG GLU 92 7.298 -0.846 5.208 675 H LEU 93 H LEU 93 9.718 0.906 3.301 676 HA LEU 93 HA LEU 93 9.005 2.446 5.598 677 HB2 LEU 93 1HB LEU 93 11.358 2.398 3.718 678 HB3 LEU 93 2HB LEU 93 11.249 3.673 4.933 679 HG LEU 93 HG LEU 93 11.164 2.038 6.723 680 HD11 LEU 93 1HD1 LEU 93 11.485 -0.431 6.051 681 HD12 LEU 93 2HD1 LEU 93 10.965 0.065 4.439 682 HD13 LEU 93 3HD1 LEU 93 9.877 0.256 5.815 683 HD21 LEU 93 3HD2 LEU 93 13.299 1.241 4.718 684 HD22 LEU 93 1HD2 LEU 93 13.384 1.044 6.468 685 HD23 LEU 93 2HD2 LEU 93 13.388 2.660 5.762 686 H LYS 94 H LYS 94 9.360 3.369 2.178 687 HA LYS 94 HA LYS 94 8.917 6.161 2.562 688 HB2 LYS 94 1HB LYS 94 9.808 5.148 0.472 689 HB3 LYS 94 2HB LYS 94 8.214 4.471 0.145 690 HG2 LYS 94 1HG LYS 94 7.244 6.717 0.073 691 HG3 LYS 94 2HG LYS 94 8.808 7.424 0.480 692 HD2 LYS 94 1HD LYS 94 9.772 6.492 -1.590 693 HD3 LYS 94 2HD LYS 94 8.207 5.789 -2.000 694 HE2 LYS 94 1HE LYS 94 8.503 7.910 -3.188 695 HE3 LYS 94 2HE LYS 94 7.210 8.063 -1.999 696 HZ1 LYS 94 3HZ LYS 94 8.458 9.395 -0.668 697 HZ2 LYS 94 1HZ LYS 94 9.129 9.825 -2.165 698 HZ3 LYS 94 2HZ LYS 94 9.936 8.718 -1.161 699 H THR 95 H THR 95 6.629 3.510 1.831 700 HA THR 95 HA THR 95 4.314 5.210 1.736 701 HB THR 95 HB THR 95 3.084 3.039 2.196 702 HG1 THR 95 HG1 THR 95 4.229 1.512 3.018 703 HG21 THR 95 3HG2 THR 95 4.096 1.922 0.067 704 HG22 THR 95 1HG2 THR 95 5.096 3.370 -0.019 705 HG23 THR 95 2HG2 THR 95 3.337 3.506 -0.087 706 H ARG 96 H ARG 96 5.819 3.318 4.358 707 HA ARG 96 HA ARG 96 3.857 3.954 6.343 708 HB2 ARG 96 1HB ARG 96 6.769 3.169 6.535 709 HB3 ARG 96 2HB ARG 96 5.758 3.433 7.958 710 HG2 ARG 96 1HG ARG 96 4.179 1.726 7.180 711 HG3 ARG 96 2HG ARG 96 5.144 1.479 5.723 712 HD2 ARG 96 1HD ARG 96 7.051 0.764 7.085 713 HD3 ARG 96 2HD ARG 96 6.123 1.035 8.558 714 HE ARG 96 HE ARG 96 5.709 -1.159 6.618 715 HH11 ARG 96 1HH2 ARG 96 4.654 0.596 9.407 716 HH12 ARG 96 2HH2 ARG 96 3.669 -0.697 10.000 717 HH21 ARG 96 1HH1 ARG 96 4.426 -2.846 7.393 718 HH22 ARG 96 2HH1 ARG 96 3.539 -2.636 8.865 719 H ALA 97 H ALA 97 6.830 5.556 5.279 720 HA ALA 97 HA ALA 97 6.913 7.566 7.308 721 HB1 ALA 97 3HB ALA 97 8.323 8.814 5.691 722 HB2 ALA 97 1HB ALA 97 7.854 7.681 4.423 723 HB3 ALA 97 2HB ALA 97 8.807 7.122 5.797 724 H LEU 98 H LEU 98 5.290 7.410 4.158 725 HA LEU 98 HA LEU 98 4.313 10.097 4.137 726 HB2 LEU 98 1HB LEU 98 4.315 8.656 2.149 727 HB3 LEU 98 2HB LEU 98 3.156 7.570 2.910 728 HG LEU 98 HG LEU 98 2.296 10.428 2.829 729 HD11 LEU 98 1HD1 LEU 98 3.332 10.379 0.649 730 HD12 LEU 98 2HD1 LEU 98 1.592 10.213 0.420 731 HD13 LEU 98 3HD1 LEU 98 2.635 8.797 0.298 732 HD21 LEU 98 3HD2 LEU 98 0.156 9.434 2.261 733 HD22 LEU 98 1HD2 LEU 98 0.866 8.474 3.558 734 HD23 LEU 98 2HD2 LEU 98 0.920 7.887 1.897 735 H ALA 99 H ALA 99 2.870 7.056 5.295 736 HA ALA 99 HA ALA 99 0.434 8.279 6.226 737 HB1 ALA 99 3HB ALA 99 0.282 6.122 7.592 738 HB2 ALA 99 1HB ALA 99 1.824 5.669 6.868 739 HB3 ALA 99 2HB ALA 99 0.411 5.917 5.845 740 H ARG 100 H ARG 100 3.558 7.561 7.709 741 HA ARG 100 HA ARG 100 2.753 8.346 10.380 742 HB2 ARG 100 1HB ARG 100 4.750 6.848 9.615 743 HB3 ARG 100 2HB ARG 100 5.594 8.371 9.353 744 HG2 ARG 100 1HG ARG 100 6.189 7.941 11.563 745 HG3 ARG 100 2HG ARG 100 4.739 8.910 11.813 746 HD2 ARG 100 1HD ARG 100 3.400 6.820 11.999 747 HD3 ARG 100 2HD ARG 100 4.873 5.874 11.803 748 HE ARG 100 HE ARG 100 4.106 7.420 14.199 749 HH11 ARG 100 1HH2 ARG 100 6.523 5.708 12.412 750 HH12 ARG 100 2HH2 ARG 100 7.511 5.403 13.800 751 HH21 ARG 100 1HH1 ARG 100 5.393 7.034 16.009 752 HH22 ARG 100 2HH1 ARG 100 6.875 6.155 15.832 753 H LEU 101 H LEU 101 3.595 10.032 7.537 754 HA LEU 101 HA LEU 101 3.918 12.263 7.048 755 HB2 LEU 101 1HB LEU 101 1.787 12.470 8.318 756 HB3 LEU 101 2HB LEU 101 2.719 12.706 9.796 757 HG LEU 101 HG LEU 101 3.809 14.684 8.759 758 HD11 LEU 101 1HD1 LEU 101 2.072 13.867 6.447 759 HD12 LEU 101 2HD1 LEU 101 3.733 14.465 6.446 760 HD13 LEU 101 3HD1 LEU 101 2.399 15.583 6.701 761 HD21 LEU 101 3HD2 LEU 101 1.787 16.148 8.859 762 HD22 LEU 101 1HD2 LEU 101 1.869 15.005 10.199 763 HD23 LEU 101 2HD2 LEU 101 0.780 14.702 8.845 764 H GLU 102 H GLU 102 5.443 13.893 7.307 765 HA GLU 102 HA GLU 102 7.887 13.267 8.538 766 HB2 GLU 102 1HB GLU 102 7.492 15.022 6.767 767 HB3 GLU 102 2HB GLU 102 6.845 16.069 8.030 768 HG2 GLU 102 1HG GLU 102 9.164 16.652 7.742 769 HG3 GLU 102 2HG GLU 102 9.036 15.773 9.266 770 H HIS 103 H HIS 103 7.417 12.566 10.681 771 HA HIS 103 HA HIS 103 6.117 14.197 12.657 772 HB2 HIS 103 1HB HIS 103 6.437 11.751 12.890 773 HB3 HIS 103 2HB HIS 103 8.179 11.995 12.998 774 HD1 HIS 103 HD1 HIS 103 5.028 13.157 14.814 775 HD2 HIS 103 HD2 HIS 103 9.050 12.378 15.581 776 HE1 HIS 103 HE1 HIS 103 5.350 13.451 17.310 777 H HIS 104 H HIS 104 9.507 13.770 11.694 778 HA HIS 104 HA HIS 104 10.794 15.178 13.735 779 HB2 HIS 104 1HB HIS 104 11.386 15.065 10.768 780 HB3 HIS 104 2HB HIS 104 12.472 15.822 11.934 781 HD1 HIS 104 HD1 HIS 104 11.083 12.475 10.916 782 HD2 HIS 104 HD2 HIS 104 13.843 14.010 13.638 783 HE1 HIS 104 HE1 HIS 104 12.347 10.490 11.852 784 H HIS 105 H HIS 105 10.698 17.233 14.427 785 HA HIS 105 HA HIS 105 9.950 19.460 14.570 786 HB2 HIS 105 1HB HIS 105 11.228 19.334 11.829 787 HB3 HIS 105 2HB HIS 105 10.754 20.840 12.614 788 HD1 HIS 105 HD1 HIS 105 13.161 17.956 12.957 789 HD2 HIS 105 HD2 HIS 105 12.449 21.670 14.711 790 HE1 HIS 105 HE1 HIS 105 15.152 18.439 14.446 791 H HIS 106 H HIS 106 8.929 21.252 12.863 792 HA HIS 106 HA HIS 106 6.765 20.083 11.251 793 HB2 HIS 106 1HB HIS 106 6.209 21.683 13.773 794 HB3 HIS 106 2HB HIS 106 4.995 21.269 12.561 795 HD1 HIS 106 HD1 HIS 106 4.799 18.558 12.096 796 HD2 HIS 106 HD2 HIS 106 6.512 19.725 15.713 797 HE1 HIS 106 HE1 HIS 106 4.708 16.535 13.618 798 H HIS 107 H HIS 107 9.034 21.767 10.710 799 HA HIS 107 HA HIS 107 8.296 24.542 10.622 800 HB2 HIS 107 1HB HIS 107 10.145 24.598 8.812 801 HB3 HIS 107 2HB HIS 107 10.608 24.096 10.437 802 HD1 HIS 107 HD1 HIS 107 8.990 22.111 7.601 803 HD2 HIS 107 HD2 HIS 107 12.354 21.995 10.060 804 HE1 HIS 107 HE1 HIS 107 10.216 19.968 7.037 805 H HIS 108 H HIS 108 7.316 25.732 9.012 806 HA HIS 108 HA HIS 108 5.379 24.542 7.341 807 HB2 HIS 108 1HB HIS 108 5.411 26.939 8.004 808 HB3 HIS 108 2HB HIS 108 6.784 27.198 6.928 809 HD1 HIS 108 HD1 HIS 108 6.338 27.197 4.386 810 HD2 HIS 108 HD2 HIS 108 2.919 26.515 6.672 811 HE1 HIS 108 HE1 HIS 108 4.370 27.396 2.806 Start of MODEL 5 1 H1 MET 1 1H MET 1 -22.460 9.327 7.380 2 H2 MET 1 2H MET 1 -22.326 10.893 8.026 3 H3 MET 1 3H MET 1 -21.057 10.239 7.104 4 HA MET 1 HA MET 1 -23.567 10.260 5.714 5 HB2 MET 1 1HB MET 1 -23.781 12.334 7.084 6 HB3 MET 1 2HB MET 1 -22.247 12.900 6.425 7 HG2 MET 1 1HG MET 1 -24.057 13.896 5.143 8 HG3 MET 1 2HG MET 1 -23.236 12.719 4.124 9 HE1 MET 1 3HE MET 1 -26.736 13.916 5.139 10 HE2 MET 1 1HE MET 1 -25.912 13.399 6.617 11 HE3 MET 1 2HE MET 1 -27.347 12.543 6.058 12 H SER 2 H SER 2 -22.170 8.892 4.470 13 HA SER 2 HA SER 2 -19.649 9.759 3.388 14 HB2 SER 2 1HB SER 2 -20.228 7.386 3.483 15 HB3 SER 2 2HB SER 2 -21.605 7.650 2.416 16 HG SER 2 HG SER 2 -18.920 7.448 1.852 17 H ASN 3 H ASN 3 -19.171 10.611 1.381 18 HA ASN 3 HA ASN 3 -21.018 12.486 0.264 19 HB2 ASN 3 1HB ASN 3 -18.406 11.345 -0.797 20 HB3 ASN 3 2HB ASN 3 -19.297 12.639 -1.601 21 HD21 ASN 3 2HD2 ASN 3 -20.187 13.851 0.998 22 HD22 ASN 3 1HD2 ASN 3 -18.814 14.613 1.640 23 H GLN 4 H GLN 4 -20.014 9.234 -0.717 24 HA GLN 4 HA GLN 4 -21.898 9.294 -3.018 25 HB2 GLN 4 1HB GLN 4 -20.885 7.131 -3.613 26 HB3 GLN 4 2HB GLN 4 -19.647 8.362 -3.389 27 HG2 GLN 4 1HG GLN 4 -18.764 6.552 -2.187 28 HG3 GLN 4 2HG GLN 4 -19.562 7.481 -0.919 29 HE21 GLN 4 2HE2 GLN 4 -20.454 5.950 0.477 30 HE22 GLN 4 1HE2 GLN 4 -21.403 4.629 -0.011 31 H THR 5 H THR 5 -23.730 8.112 -3.083 32 HA THR 5 HA THR 5 -24.616 6.807 -0.544 33 HB THR 5 HB THR 5 -26.323 7.519 -2.952 34 HG1 THR 5 HG1 THR 5 -25.316 9.395 -2.200 35 HG21 THR 5 3HG2 THR 5 -27.103 5.928 -1.093 36 HG22 THR 5 1HG2 THR 5 -28.141 7.312 -1.437 37 HG23 THR 5 2HG2 THR 5 -27.073 7.339 -0.034 38 H CYS 6 H CYS 6 -24.573 6.300 -4.080 39 HA CYS 6 HA CYS 6 -24.198 3.406 -3.675 40 HB2 CYS 6 1HB CYS 6 -26.528 4.381 -5.347 41 HB3 CYS 6 2HB CYS 6 -26.130 2.717 -4.917 42 HG CYS 6 HG CYS 6 -26.604 3.495 -2.352 43 H VAL 7 H VAL 7 -23.917 2.319 -5.827 44 HA VAL 7 HA VAL 7 -22.042 3.854 -7.435 45 HB VAL 7 HB VAL 7 -23.140 1.090 -8.021 46 HG11 VAL 7 1HG1 VAL 7 -20.879 0.831 -9.058 47 HG12 VAL 7 2HG1 VAL 7 -20.560 2.528 -8.703 48 HG13 VAL 7 3HG1 VAL 7 -21.844 2.090 -9.826 49 HG21 VAL 7 3HG2 VAL 7 -22.318 1.208 -5.684 50 HG22 VAL 7 1HG2 VAL 7 -20.794 1.882 -6.260 51 HG23 VAL 7 2HG2 VAL 7 -21.247 0.233 -6.689 52 H GLU 8 H GLU 8 -22.423 4.884 -9.273 53 HA GLU 8 HA GLU 8 -25.145 5.072 -10.329 54 HB2 GLU 8 1HB GLU 8 -22.526 6.348 -11.207 55 HB3 GLU 8 2HB GLU 8 -24.094 6.698 -11.932 56 HG2 GLU 8 1HG GLU 8 -23.887 8.411 -10.342 57 HG3 GLU 8 2HG GLU 8 -24.854 7.218 -9.483 58 H ASN 9 H ASN 9 -23.416 2.573 -10.546 59 HA ASN 9 HA ASN 9 -23.050 0.856 -12.087 60 HB2 ASN 9 1HB ASN 9 -25.255 2.391 -13.477 61 HB3 ASN 9 2HB ASN 9 -24.639 0.848 -14.056 62 HD21 ASN 9 2HD2 ASN 9 -24.208 -0.274 -11.342 63 HD22 ASN 9 1HD2 ASN 9 -25.749 -0.594 -10.712 64 H GLU 10 H GLU 10 -21.388 3.176 -12.204 65 HA GLU 10 HA GLU 10 -19.845 4.261 -13.577 66 HB2 GLU 10 1HB GLU 10 -20.085 1.539 -14.873 67 HB3 GLU 10 2HB GLU 10 -18.862 2.720 -15.335 68 HG2 GLU 10 1HG GLU 10 -17.724 1.448 -13.726 69 HG3 GLU 10 2HG GLU 10 -18.313 2.792 -12.761 70 H VAL 11 H VAL 11 -19.276 4.656 -16.014 71 HA VAL 11 HA VAL 11 -21.683 5.869 -17.175 72 HB VAL 11 HB VAL 11 -20.109 6.890 -18.774 73 HG11 VAL 11 1HG1 VAL 11 -19.276 6.939 -15.862 74 HG12 VAL 11 2HG1 VAL 11 -20.377 8.047 -16.679 75 HG13 VAL 11 3HG1 VAL 11 -18.657 8.068 -17.067 76 HG21 VAL 11 3HG2 VAL 11 -18.106 5.072 -17.403 77 HG22 VAL 11 1HG2 VAL 11 -17.638 6.456 -18.392 78 HG23 VAL 11 2HG2 VAL 11 -18.518 5.111 -19.117 79 H CYS 12 H CYS 12 -22.737 5.185 -18.932 80 HA CYS 12 HA CYS 12 -23.526 3.689 -20.538 81 HB2 CYS 12 1HB CYS 12 -20.583 3.897 -21.158 82 HB3 CYS 12 2HB CYS 12 -21.673 2.935 -22.157 83 HG CYS 12 HG CYS 12 -21.604 6.001 -22.038 84 H GLU 13 H GLU 13 -24.297 1.936 -19.505 85 HA GLU 13 HA GLU 13 -22.659 -0.038 -18.189 86 HB2 GLU 13 1HB GLU 13 -25.554 -0.117 -19.112 87 HB3 GLU 13 2HB GLU 13 -24.790 -1.371 -18.137 88 HG2 GLU 13 1HG GLU 13 -25.768 -0.022 -16.490 89 HG3 GLU 13 2HG GLU 13 -24.131 0.617 -16.545 90 H ALA 14 H ALA 14 -21.597 -1.666 -19.024 91 HA ALA 14 HA ALA 14 -22.482 -3.270 -21.229 92 HB1 ALA 14 3HB ALA 14 -20.842 -2.631 -22.911 93 HB2 ALA 14 1HB ALA 14 -20.163 -1.408 -21.834 94 HB3 ALA 14 2HB ALA 14 -21.792 -1.212 -22.480 95 H CYS 15 H CYS 15 -19.259 -2.078 -20.253 96 HA CYS 15 HA CYS 15 -18.264 -4.819 -19.970 97 HB2 CYS 15 1HB CYS 15 -16.721 -3.241 -20.903 98 HB3 CYS 15 2HB CYS 15 -16.996 -2.092 -19.592 99 HG CYS 15 HG CYS 15 -15.644 -3.576 -17.995 100 H GLY 16 H GLY 16 -17.966 -5.906 -18.122 101 HA2 GLY 16 1HA GLY 16 -17.927 -4.563 -15.515 102 HA3 GLY 16 2HA GLY 16 -19.351 -5.564 -15.797 103 H CYS 17 H CYS 17 -16.270 -5.561 -14.583 104 HA CYS 17 HA CYS 17 -15.566 -8.348 -15.219 105 HB2 CYS 17 1HB CYS 17 -13.791 -6.650 -14.995 106 HB3 CYS 17 2HB CYS 17 -14.277 -6.354 -13.324 107 HG CYS 17 HG CYS 17 -12.977 -8.341 -12.640 108 H ALA 18 H ALA 18 -17.433 -9.355 -14.320 109 HA ALA 18 HA ALA 18 -18.210 -9.099 -11.558 110 HB1 ALA 18 3HB ALA 18 -19.638 -10.014 -13.460 111 HB2 ALA 18 1HB ALA 18 -19.669 -10.954 -11.971 112 HB3 ALA 18 2HB ALA 18 -18.701 -11.504 -13.337 113 H GLY 19 H GLY 19 -17.642 -10.271 -9.807 114 HA2 GLY 19 1HA GLY 19 -15.048 -11.523 -9.754 115 HA3 GLY 19 2HA GLY 19 -16.186 -11.448 -8.409 116 H GLU 20 H GLU 20 -14.602 -13.525 -10.349 117 HA GLU 20 HA GLU 20 -16.100 -15.827 -9.485 118 HB2 GLU 20 1HB GLU 20 -17.623 -15.035 -11.270 119 HB3 GLU 20 2HB GLU 20 -16.295 -15.117 -12.430 120 HG2 GLU 20 1HG GLU 20 -16.070 -17.528 -12.042 121 HG3 GLU 20 2HG GLU 20 -17.342 -17.465 -10.820 122 H ILE 21 H ILE 21 -13.621 -14.317 -11.388 123 HA ILE 21 HA ILE 21 -12.247 -16.800 -12.109 124 HB ILE 21 HB ILE 21 -10.469 -15.252 -12.928 125 HG12 ILE 21 1HG1 ILE 21 -12.349 -13.071 -11.956 126 HG13 ILE 21 2HG1 ILE 21 -10.827 -13.494 -11.176 127 HG21 ILE 21 1HG2 ILE 21 -12.575 -15.866 -14.246 128 HG22 ILE 21 2HG2 ILE 21 -11.728 -14.410 -14.769 129 HG23 ILE 21 3HG2 ILE 21 -13.195 -14.276 -13.801 130 HD11 ILE 21 3HD1 ILE 21 -10.418 -11.605 -12.627 131 HD12 ILE 21 1HD1 ILE 21 -11.179 -12.431 -13.987 132 HD13 ILE 21 2HD1 ILE 21 -9.649 -13.023 -13.340 133 H GLY 22 H GLY 22 -10.467 -17.649 -11.142 134 HA2 GLY 22 1HA GLY 22 -9.961 -16.857 -8.350 135 HA3 GLY 22 2HA GLY 22 -9.376 -18.317 -9.143 136 H PHE 23 H PHE 23 -8.359 -15.565 -7.806 137 HA PHE 23 HA PHE 23 -6.018 -15.225 -9.654 138 HB2 PHE 23 1HB PHE 23 -5.748 -13.005 -8.703 139 HB3 PHE 23 2HB PHE 23 -7.400 -13.184 -9.290 140 HD1 PHE 23 HD2 PHE 23 -5.256 -12.981 -6.292 141 HD2 PHE 23 HD1 PHE 23 -9.284 -13.316 -7.748 142 HE1 PHE 23 HE2 PHE 23 -6.119 -12.435 -4.031 143 HE2 PHE 23 HE1 PHE 23 -10.146 -12.768 -5.487 144 HZ PHE 23 HZ PHE 23 -8.563 -12.327 -3.629 145 H ILE 24 H ILE 24 -4.084 -15.748 -8.924 146 HA ILE 24 HA ILE 24 -3.788 -16.943 -6.255 147 HB ILE 24 HB ILE 24 -1.827 -16.588 -8.560 148 HG12 ILE 24 1HG1 ILE 24 -3.218 -19.099 -7.577 149 HG13 ILE 24 2HG1 ILE 24 -3.836 -18.116 -8.905 150 HG21 ILE 24 1HG2 ILE 24 -0.569 -18.397 -7.266 151 HG22 ILE 24 2HG2 ILE 24 -1.618 -18.015 -5.901 152 HG23 ILE 24 3HG2 ILE 24 -0.540 -16.783 -6.556 153 HD11 ILE 24 3HD1 ILE 24 -2.374 -20.091 -9.590 154 HD12 ILE 24 1HD1 ILE 24 -1.018 -19.223 -8.869 155 HD13 ILE 24 2HD1 ILE 24 -1.886 -18.523 -10.236 156 H ILE 25 H ILE 25 -1.297 -15.021 -7.830 157 HA ILE 25 HA ILE 25 0.122 -13.371 -6.964 158 HB ILE 25 HB ILE 25 -2.574 -12.321 -6.058 159 HG12 ILE 25 1HG1 ILE 25 -0.925 -11.587 -8.500 160 HG13 ILE 25 2HG1 ILE 25 -2.223 -12.781 -8.539 161 HG21 ILE 25 1HG2 ILE 25 -1.143 -10.928 -4.875 162 HG22 ILE 25 2HG2 ILE 25 -1.083 -10.098 -6.424 163 HG23 ILE 25 3HG2 ILE 25 0.213 -11.202 -5.968 164 HD11 ILE 25 3HD1 ILE 25 -3.183 -10.676 -9.218 165 HD12 ILE 25 1HD1 ILE 25 -2.453 -9.838 -7.848 166 HD13 ILE 25 2HD1 ILE 25 -3.756 -10.998 -7.582 167 H ARG 26 H ARG 26 -1.081 -15.624 -5.086 168 HA ARG 26 HA ARG 26 -0.265 -14.391 -2.484 169 HB2 ARG 26 1HB ARG 26 -2.536 -15.394 -2.573 170 HB3 ARG 26 2HB ARG 26 -1.823 -16.946 -3.012 171 HG2 ARG 26 1HG ARG 26 -0.544 -16.956 -0.897 172 HG3 ARG 26 2HG ARG 26 -1.257 -15.405 -0.458 173 HD2 ARG 26 1HD ARG 26 -2.865 -17.920 -1.007 174 HD3 ARG 26 2HD ARG 26 -2.400 -17.378 0.605 175 HE ARG 26 HE ARG 26 -3.719 -15.224 -0.726 176 HH11 ARG 26 1HH2 ARG 26 -4.322 -18.376 0.614 177 HH12 ARG 26 2HH2 ARG 26 -5.985 -18.033 0.965 178 HH21 ARG 26 1HH1 ARG 26 -5.879 -14.799 -0.264 179 HH22 ARG 26 2HH1 ARG 26 -6.859 -16.023 0.471 180 H GLU 27 H GLU 27 1.597 -14.962 -1.653 181 HA GLU 27 HA GLU 27 3.635 -16.019 -1.289 182 HB2 GLU 27 1HB GLU 27 1.904 -17.774 -0.544 183 HB3 GLU 27 2HB GLU 27 2.249 -18.584 -2.072 184 HG2 GLU 27 1HG GLU 27 4.621 -18.750 -1.488 185 HG3 GLU 27 2HG GLU 27 4.341 -17.844 -0.003 186 H GLY 28 H GLY 28 3.268 -14.903 -3.833 187 HA2 GLY 28 1HA GLY 28 4.206 -16.802 -5.868 188 HA3 GLY 28 2HA GLY 28 3.932 -15.076 -6.102 189 H ASP 29 H ASP 29 5.723 -15.646 -3.325 190 HA ASP 29 HA ASP 29 7.933 -15.205 -2.733 191 HB2 ASP 29 1HB ASP 29 8.319 -16.615 -5.383 192 HB3 ASP 29 2HB ASP 29 9.663 -16.142 -4.347 193 H ASP 30 H ASP 30 6.329 -13.275 -4.356 194 HA ASP 30 HA ASP 30 8.434 -11.310 -4.753 195 HB2 ASP 30 1HB ASP 30 7.904 -10.839 -7.133 196 HB3 ASP 30 2HB ASP 30 8.627 -12.429 -6.911 197 H VAL 31 H VAL 31 5.868 -11.811 -3.295 198 HA VAL 31 HA VAL 31 4.344 -9.385 -4.208 199 HB VAL 31 HB VAL 31 3.344 -11.862 -2.767 200 HG11 VAL 31 1HG1 VAL 31 1.106 -10.731 -3.099 201 HG12 VAL 31 2HG1 VAL 31 1.985 -9.270 -3.545 202 HG13 VAL 31 3HG1 VAL 31 2.155 -9.939 -1.925 203 HG21 VAL 31 3HG2 VAL 31 2.203 -12.377 -4.787 204 HG22 VAL 31 1HG2 VAL 31 3.826 -11.922 -5.295 205 HG23 VAL 31 2HG2 VAL 31 2.499 -10.775 -5.459 206 H ALA 32 H ALA 32 4.111 -7.788 -2.767 207 HA ALA 32 HA ALA 32 5.362 -8.109 -0.087 208 HB1 ALA 32 3HB ALA 32 6.149 -6.254 -1.525 209 HB2 ALA 32 1HB ALA 32 5.398 -5.651 -0.051 210 HB3 ALA 32 2HB ALA 32 4.512 -5.603 -1.575 211 H GLU 33 H GLU 33 4.332 -7.214 1.764 212 HA GLU 33 HA GLU 33 1.347 -7.410 1.659 213 HB2 GLU 33 1HB GLU 33 2.600 -9.060 3.082 214 HB3 GLU 33 2HB GLU 33 3.194 -7.710 4.048 215 HG2 GLU 33 1HG GLU 33 1.249 -8.594 5.168 216 HG3 GLU 33 2HG GLU 33 0.784 -7.053 4.455 217 H VAL 34 H VAL 34 0.221 -5.629 1.987 218 HA VAL 34 HA VAL 34 1.467 -3.316 3.446 219 HB VAL 34 HB VAL 34 -0.315 -3.302 0.988 220 HG11 VAL 34 1HG1 VAL 34 -1.158 -1.544 2.346 221 HG12 VAL 34 2HG1 VAL 34 -0.007 -0.752 1.271 222 HG13 VAL 34 3HG1 VAL 34 0.448 -1.117 2.935 223 HG21 VAL 34 3HG2 VAL 34 1.567 -2.046 0.018 224 HG22 VAL 34 1HG2 VAL 34 2.113 -3.620 0.596 225 HG23 VAL 34 2HG2 VAL 34 2.448 -2.167 1.540 226 H SER 35 H SER 35 0.285 -2.518 5.075 227 HA SER 35 HA SER 35 -2.629 -3.161 5.244 228 HB2 SER 35 1HB SER 35 -2.361 -3.692 7.639 229 HB3 SER 35 2HB SER 35 -1.479 -4.823 6.622 230 HG SER 35 HG SER 35 -0.315 -2.503 7.769 231 H LEU 36 H LEU 36 -3.766 -1.423 5.657 232 HA LEU 36 HA LEU 36 -2.445 0.937 6.932 233 HB2 LEU 36 1HB LEU 36 -3.081 1.249 4.521 234 HB3 LEU 36 2HB LEU 36 -4.761 0.962 4.972 235 HG LEU 36 HG LEU 36 -4.604 2.865 6.596 236 HD11 LEU 36 1HD1 LEU 36 -2.546 4.434 5.940 237 HD12 LEU 36 2HD1 LEU 36 -1.794 2.895 5.531 238 HD13 LEU 36 3HD1 LEU 36 -2.380 3.188 7.169 239 HD21 LEU 36 3HD2 LEU 36 -4.881 4.562 4.962 240 HD22 LEU 36 1HD2 LEU 36 -5.367 3.074 4.151 241 HD23 LEU 36 2HD2 LEU 36 -3.780 3.771 3.836 242 H PHE 37 H PHE 37 -3.341 1.707 8.713 243 HA PHE 37 HA PHE 37 -5.952 0.548 9.628 244 HB2 PHE 37 1HB PHE 37 -4.011 0.028 11.068 245 HB3 PHE 37 2HB PHE 37 -3.680 1.752 11.252 246 HD1 PHE 37 HD1 PHE 37 -6.275 -0.873 11.841 247 HD2 PHE 37 HD2 PHE 37 -4.846 3.049 12.862 248 HE1 PHE 37 HE1 PHE 37 -7.911 -0.760 13.703 249 HE2 PHE 37 HE2 PHE 37 -6.483 3.159 14.723 250 HZ PHE 37 HZ PHE 37 -8.015 1.256 15.144 251 H GLY 38 H GLY 38 -7.605 1.864 9.900 252 HA2 GLY 38 1HA GLY 38 -7.439 4.625 10.677 253 HA3 GLY 38 2HA GLY 38 -7.726 4.498 8.943 254 H SER 39 H SER 39 -9.769 5.575 9.547 255 HA SER 39 HA SER 39 -11.787 4.377 11.157 256 HB2 SER 39 1HB SER 39 -11.813 6.749 10.329 257 HB3 SER 39 2HB SER 39 -12.201 6.144 8.721 258 HG SER 39 HG SER 39 -14.179 5.790 9.355 259 H ASP 40 H ASP 40 -13.898 4.526 9.095 260 HA ASP 40 HA ASP 40 -14.232 1.789 8.549 261 HB2 ASP 40 1HB ASP 40 -16.002 2.502 6.970 262 HB3 ASP 40 2HB ASP 40 -16.091 3.388 8.491 263 H LYS 41 H LYS 41 -14.597 0.985 6.217 264 HA LYS 41 HA LYS 41 -12.066 0.743 4.942 265 HB2 LYS 41 1HB LYS 41 -13.937 -0.919 4.778 266 HB3 LYS 41 2HB LYS 41 -14.800 0.211 3.734 267 HG2 LYS 41 1HG LYS 41 -12.979 0.151 2.105 268 HG3 LYS 41 2HG LYS 41 -12.039 -0.901 3.164 269 HD2 LYS 41 1HD LYS 41 -13.806 -2.626 3.008 270 HD3 LYS 41 2HD LYS 41 -14.721 -1.582 1.922 271 HE2 LYS 41 1HE LYS 41 -12.871 -1.609 0.304 272 HE3 LYS 41 2HE LYS 41 -11.919 -2.618 1.392 273 HZ1 LYS 41 3HZ LYS 41 -14.293 -3.309 -0.188 274 HZ2 LYS 41 1HZ LYS 41 -14.023 -4.125 1.274 275 HZ3 LYS 41 2HZ LYS 41 -12.855 -4.183 0.042 276 H ALA 42 H ALA 42 -14.903 2.711 4.175 277 HA ALA 42 HA ALA 42 -14.170 3.740 1.668 278 HB1 ALA 42 3HB ALA 42 -15.528 5.279 3.911 279 HB2 ALA 42 1HB ALA 42 -16.351 4.147 2.835 280 HB3 ALA 42 2HB ALA 42 -15.639 5.623 2.185 281 H HIS 43 H HIS 43 -13.352 5.010 4.895 282 HA HIS 43 HA HIS 43 -11.842 7.259 3.995 283 HB2 HIS 43 1HB HIS 43 -12.652 6.942 6.336 284 HB3 HIS 43 2HB HIS 43 -11.466 5.652 6.548 285 HD1 HIS 43 HD1 HIS 43 -8.969 6.329 6.699 286 HD2 HIS 43 HD2 HIS 43 -11.550 9.573 6.246 287 HE1 HIS 43 HE1 HIS 43 -7.598 8.407 7.167 288 H LEU 44 H LEU 44 -10.920 3.918 4.741 289 HA LEU 44 HA LEU 44 -8.096 4.226 4.429 290 HB2 LEU 44 1HB LEU 44 -9.897 1.816 3.993 291 HB3 LEU 44 2HB LEU 44 -8.137 1.736 4.030 292 HG LEU 44 HG LEU 44 -9.859 2.788 6.298 293 HD11 LEU 44 1HD1 LEU 44 -9.565 0.713 7.396 294 HD12 LEU 44 2HD1 LEU 44 -8.289 0.209 6.293 295 HD13 LEU 44 3HD1 LEU 44 -9.959 0.256 5.741 296 HD21 LEU 44 3HD2 LEU 44 -7.502 2.260 7.458 297 HD22 LEU 44 1HD2 LEU 44 -7.799 3.800 6.664 298 HD23 LEU 44 2HD2 LEU 44 -6.899 2.537 5.829 299 H GLU 45 H GLU 45 -10.665 3.462 2.132 300 HA GLU 45 HA GLU 45 -9.029 2.881 -0.126 301 HB2 GLU 45 1HB GLU 45 -11.823 4.051 0.096 302 HB3 GLU 45 2HB GLU 45 -11.087 3.594 -1.441 303 HG2 GLU 45 1HG GLU 45 -10.828 1.291 -0.677 304 HG3 GLU 45 2HG GLU 45 -11.450 1.719 0.916 305 H GLY 46 H GLY 46 -10.348 5.923 1.117 306 HA2 GLY 46 1HA GLY 46 -9.528 7.637 -1.002 307 HA3 GLY 46 2HA GLY 46 -9.800 8.146 0.665 308 H LYS 47 H LYS 47 -7.863 6.617 1.973 309 HA LYS 47 HA LYS 47 -5.458 8.159 1.328 310 HB2 LYS 47 1HB LYS 47 -5.920 6.009 3.429 311 HB3 LYS 47 2HB LYS 47 -4.528 7.085 3.350 312 HG2 LYS 47 1HG LYS 47 -7.333 8.186 3.500 313 HG3 LYS 47 2HG LYS 47 -6.456 7.734 4.961 314 HD2 LYS 47 1HD LYS 47 -4.601 9.247 4.280 315 HD3 LYS 47 2HD LYS 47 -5.541 9.749 2.882 316 HE2 LYS 47 1HE LYS 47 -7.332 10.564 4.351 317 HE3 LYS 47 2HE LYS 47 -6.396 10.069 5.761 318 HZ1 LYS 47 3HZ LYS 47 -6.199 12.447 4.286 319 HZ2 LYS 47 1HZ LYS 47 -4.736 11.604 4.126 320 HZ3 LYS 47 2HZ LYS 47 -5.330 11.989 5.671 321 H LEU 48 H LEU 48 -6.719 5.031 0.681 322 HA LEU 48 HA LEU 48 -4.311 3.564 0.291 323 HB2 LEU 48 1HB LEU 48 -6.603 2.552 0.399 324 HB3 LEU 48 2HB LEU 48 -6.953 3.242 -1.184 325 HG LEU 48 HG LEU 48 -4.992 1.985 -2.111 326 HD11 LEU 48 1HD1 LEU 48 -4.355 -0.024 -0.490 327 HD12 LEU 48 2HD1 LEU 48 -4.817 1.120 0.766 328 HD13 LEU 48 3HD1 LEU 48 -3.530 1.520 -0.366 329 HD21 LEU 48 3HD2 LEU 48 -6.078 -0.274 -1.947 330 HD22 LEU 48 1HD2 LEU 48 -7.198 1.021 -2.370 331 HD23 LEU 48 2HD2 LEU 48 -7.161 0.389 -0.723 332 H ALA 49 H ALA 49 -6.227 5.609 -1.860 333 HA ALA 49 HA ALA 49 -5.054 5.120 -4.340 334 HB1 ALA 49 3HB ALA 49 -6.933 6.680 -4.007 335 HB2 ALA 49 1HB ALA 49 -5.633 7.463 -4.905 336 HB3 ALA 49 2HB ALA 49 -5.857 7.817 -3.191 337 H GLU 50 H GLU 50 -3.803 7.113 -1.700 338 HA GLU 50 HA GLU 50 -1.557 8.198 -3.140 339 HB2 GLU 50 1HB GLU 50 -2.070 7.780 -0.171 340 HB3 GLU 50 2HB GLU 50 -0.657 8.624 -0.804 341 HG2 GLU 50 1HG GLU 50 -2.152 10.385 -0.402 342 HG3 GLU 50 2HG GLU 50 -2.400 10.075 -2.113 343 H TYR 51 H TYR 51 -1.958 5.390 -1.014 344 HA TYR 51 HA TYR 51 0.771 4.549 -0.989 345 HB2 TYR 51 1HB TYR 51 -1.862 3.128 -0.563 346 HB3 TYR 51 2HB TYR 51 -0.340 2.238 -0.516 347 HD1 TYR 51 HD2 TYR 51 -1.663 5.518 0.800 348 HD2 TYR 51 HD1 TYR 51 0.563 1.934 1.609 349 HE1 TYR 51 HE2 TYR 51 -1.289 6.278 3.124 350 HE2 TYR 51 HE1 TYR 51 0.935 2.695 3.934 351 HH TYR 51 HH TYR 51 -0.342 4.307 5.563 352 H ILE 52 H ILE 52 -1.951 3.623 -3.089 353 HA ILE 52 HA ILE 52 -0.489 1.743 -4.678 354 HB ILE 52 HB ILE 52 -2.967 3.392 -5.286 355 HG12 ILE 52 1HG1 ILE 52 -2.666 0.436 -4.672 356 HG13 ILE 52 2HG1 ILE 52 -3.007 1.644 -3.433 357 HG21 ILE 52 1HG2 ILE 52 -3.261 1.556 -7.076 358 HG22 ILE 52 2HG2 ILE 52 -1.538 1.247 -6.867 359 HG23 ILE 52 3HG2 ILE 52 -2.091 2.828 -7.418 360 HD11 ILE 52 3HD1 ILE 52 -5.088 2.247 -4.481 361 HD12 ILE 52 1HD1 ILE 52 -5.054 0.487 -4.378 362 HD13 ILE 52 2HD1 ILE 52 -4.711 1.286 -5.912 363 H SER 53 H SER 53 -1.145 5.211 -5.065 364 HA SER 53 HA SER 53 -0.005 5.607 -7.624 365 HB2 SER 53 1HB SER 53 0.035 7.502 -5.248 366 HB3 SER 53 2HB SER 53 0.286 7.958 -6.931 367 HG SER 53 HG SER 53 -1.829 8.262 -6.701 368 H LEU 54 H LEU 54 1.513 5.600 -4.416 369 HA LEU 54 HA LEU 54 4.139 6.357 -5.253 370 HB2 LEU 54 1HB LEU 54 3.166 4.708 -2.897 371 HB3 LEU 54 2HB LEU 54 4.841 5.201 -3.102 372 HG LEU 54 HG LEU 54 2.528 7.161 -3.097 373 HD11 LEU 54 1HD1 LEU 54 3.332 7.704 -0.766 374 HD12 LEU 54 2HD1 LEU 54 4.312 6.239 -0.828 375 HD13 LEU 54 3HD1 LEU 54 2.553 6.128 -0.913 376 HD21 LEU 54 3HD2 LEU 54 5.528 7.361 -3.225 377 HD22 LEU 54 1HD2 LEU 54 4.652 8.614 -2.352 378 HD23 LEU 54 2HD2 LEU 54 4.303 8.317 -4.047 379 H ALA 55 H ALA 55 2.538 3.222 -4.952 380 HA ALA 55 HA ALA 55 4.774 1.543 -5.448 381 HB1 ALA 55 3HB ALA 55 2.008 0.926 -6.514 382 HB2 ALA 55 1HB ALA 55 2.321 0.942 -4.778 383 HB3 ALA 55 2HB ALA 55 3.197 -0.175 -5.820 384 H LYS 56 H LYS 56 2.493 3.106 -7.683 385 HA LYS 56 HA LYS 56 3.547 1.995 -10.095 386 HB2 LYS 56 1HB LYS 56 1.316 3.114 -9.885 387 HB3 LYS 56 2HB LYS 56 2.143 4.662 -9.700 388 HG2 LYS 56 1HG LYS 56 3.178 4.397 -11.901 389 HG3 LYS 56 2HG LYS 56 2.422 2.818 -12.084 390 HD2 LYS 56 1HD LYS 56 0.188 3.871 -11.952 391 HD3 LYS 56 2HD LYS 56 0.948 5.452 -11.785 392 HE2 LYS 56 1HE LYS 56 0.272 5.098 -14.112 393 HE3 LYS 56 2HE LYS 56 2.031 5.146 -14.002 394 HZ1 LYS 56 3HZ LYS 56 0.314 3.004 -14.810 395 HZ2 LYS 56 1HZ LYS 56 1.413 2.522 -13.613 396 HZ3 LYS 56 2HZ LYS 56 1.982 3.207 -15.060 397 H GLN 57 H GLN 57 4.253 4.969 -8.294 398 HA GLN 57 HA GLN 57 6.055 6.129 -10.187 399 HB2 GLN 57 1HB GLN 57 5.070 7.389 -8.291 400 HB3 GLN 57 2HB GLN 57 6.010 6.416 -7.158 401 HG2 GLN 57 1HG GLN 57 8.093 7.252 -8.075 402 HG3 GLN 57 2HG GLN 57 7.236 8.091 -9.365 403 HE21 GLN 57 2HE2 GLN 57 5.326 9.590 -8.273 404 HE22 GLN 57 1HE2 GLN 57 5.895 10.584 -7.020 405 H VAL 58 H VAL 58 6.591 3.995 -7.398 406 HA VAL 58 HA VAL 58 9.451 3.914 -7.577 407 HB VAL 58 HB VAL 58 7.457 1.928 -6.430 408 HG11 VAL 58 1HG1 VAL 58 9.447 0.680 -6.818 409 HG12 VAL 58 2HG1 VAL 58 9.540 1.175 -5.128 410 HG13 VAL 58 3HG1 VAL 58 10.476 2.034 -6.351 411 HG21 VAL 58 3HG2 VAL 58 9.281 3.914 -5.041 412 HG22 VAL 58 1HG2 VAL 58 7.995 2.955 -4.309 413 HG23 VAL 58 2HG2 VAL 58 7.595 4.255 -5.433 414 H TYR 59 H TYR 59 6.909 1.782 -8.874 415 HA TYR 59 HA TYR 59 8.932 0.664 -10.794 416 HB2 TYR 59 1HB TYR 59 8.318 -0.964 -8.996 417 HB3 TYR 59 2HB TYR 59 6.637 -0.855 -9.522 418 HD1 TYR 59 HD2 TYR 59 10.056 -1.377 -10.996 419 HD2 TYR 59 HD1 TYR 59 5.895 -2.436 -11.081 420 HE1 TYR 59 HE2 TYR 59 10.513 -3.052 -12.765 421 HE2 TYR 59 HE1 TYR 59 6.355 -4.114 -12.843 422 HH TYR 59 HH TYR 59 8.225 -5.422 -13.689 423 H ALA 60 H ALA 60 8.361 0.773 -12.849 424 HA ALA 60 HA ALA 60 6.409 2.362 -13.939 425 HB1 ALA 60 3HB ALA 60 6.584 0.961 -16.006 426 HB2 ALA 60 1HB ALA 60 7.465 -0.249 -15.072 427 HB3 ALA 60 2HB ALA 60 8.156 1.356 -15.312 428 H ASN 61 H ASN 61 5.796 -0.888 -14.915 429 HA ASN 61 HA ASN 61 2.936 -0.549 -14.329 430 HB2 ASN 61 1HB ASN 61 3.725 -1.490 -16.493 431 HB3 ASN 61 2HB ASN 61 4.406 -2.869 -15.629 432 HD21 ASN 61 2HD2 ASN 61 1.259 -1.110 -15.887 433 HD22 ASN 61 1HD2 ASN 61 0.302 -2.511 -15.812 434 H VAL 62 H VAL 62 2.789 -0.684 -12.110 435 HA VAL 62 HA VAL 62 3.717 -3.183 -10.774 436 HB VAL 62 HB VAL 62 4.256 -0.952 -9.749 437 HG11 VAL 62 1HG1 VAL 62 2.053 0.107 -10.420 438 HG12 VAL 62 2HG1 VAL 62 2.518 0.372 -8.740 439 HG13 VAL 62 3HG1 VAL 62 1.290 -0.829 -9.135 440 HG21 VAL 62 3HG2 VAL 62 2.362 -2.583 -8.040 441 HG22 VAL 62 1HG2 VAL 62 3.776 -1.672 -7.514 442 HG23 VAL 62 2HG2 VAL 62 3.980 -3.137 -8.468 443 H GLU 63 H GLU 63 2.347 -4.689 -10.112 444 HA GLU 63 HA GLU 63 -0.580 -4.268 -10.573 445 HB2 GLU 63 1HB GLU 63 0.508 -6.136 -11.818 446 HB3 GLU 63 2HB GLU 63 0.967 -6.867 -10.277 447 HG2 GLU 63 1HG GLU 63 -1.390 -7.030 -9.621 448 HG3 GLU 63 2HG GLU 63 -1.876 -6.227 -11.112 449 H TYR 64 H TYR 64 -2.019 -4.678 -8.957 450 HA TYR 64 HA TYR 64 -1.106 -5.708 -6.352 451 HB2 TYR 64 1HB TYR 64 -1.932 -3.719 -5.133 452 HB3 TYR 64 2HB TYR 64 -0.577 -3.324 -6.187 453 HD1 TYR 64 HD2 TYR 64 -0.906 -2.021 -8.240 454 HD2 TYR 64 HD1 TYR 64 -4.198 -2.950 -5.641 455 HE1 TYR 64 HE2 TYR 64 -2.296 -0.321 -9.391 456 HE2 TYR 64 HE1 TYR 64 -5.585 -1.248 -6.791 457 HH TYR 64 HH TYR 64 -4.213 0.904 -9.221 458 H GLU 65 H GLU 65 -2.884 -6.030 -4.870 459 HA GLU 65 HA GLU 65 -5.621 -5.956 -5.992 460 HB2 GLU 65 1HB GLU 65 -4.585 -8.161 -6.653 461 HB3 GLU 65 2HB GLU 65 -4.401 -8.523 -4.937 462 HG2 GLU 65 1HG GLU 65 -6.465 -9.536 -5.659 463 HG3 GLU 65 2HG GLU 65 -6.890 -8.137 -4.680 464 H VAL 66 H VAL 66 -7.199 -5.956 -4.410 465 HA VAL 66 HA VAL 66 -6.226 -5.508 -1.623 466 HB VAL 66 HB VAL 66 -8.850 -4.763 -2.958 467 HG11 VAL 66 1HG1 VAL 66 -7.753 -4.276 -0.175 468 HG12 VAL 66 2HG1 VAL 66 -9.224 -5.153 -0.602 469 HG13 VAL 66 3HG1 VAL 66 -9.135 -3.409 -0.842 470 HG21 VAL 66 3HG2 VAL 66 -7.941 -2.435 -2.633 471 HG22 VAL 66 1HG2 VAL 66 -7.015 -3.397 -3.786 472 HG23 VAL 66 2HG2 VAL 66 -6.406 -3.154 -2.148 473 H ALA 67 H ALA 67 -6.583 -7.014 -0.167 474 HA ALA 67 HA ALA 67 -8.115 -9.378 -0.789 475 HB1 ALA 67 3HB ALA 67 -6.021 -8.754 0.972 476 HB2 ALA 67 1HB ALA 67 -6.835 -10.311 0.866 477 HB3 ALA 67 2HB ALA 67 -7.366 -9.116 2.049 478 HA PRO 68 HA PRO 68 -12.055 -8.718 1.044 479 HB2 PRO 68 1HB PRO 68 -11.436 -10.696 3.215 480 HB3 PRO 68 2HB PRO 68 -12.800 -10.661 2.078 481 HG2 PRO 68 1HG PRO 68 -10.804 -12.374 1.745 482 HG3 PRO 68 2HG PRO 68 -11.540 -11.558 0.349 483 HD2 PRO 68 1HD PRO 68 -8.917 -10.993 1.699 484 HD3 PRO 68 2HD PRO 68 -9.347 -10.955 -0.024 485 H VAL 69 H VAL 69 -12.946 -7.254 2.400 486 HA VAL 69 HA VAL 69 -11.507 -6.560 4.943 487 HB VAL 69 HB VAL 69 -12.696 -4.676 2.889 488 HG11 VAL 69 1HG1 VAL 69 -11.808 -2.925 4.525 489 HG12 VAL 69 2HG1 VAL 69 -11.697 -4.233 5.700 490 HG13 VAL 69 3HG1 VAL 69 -13.262 -3.784 5.031 491 HG21 VAL 69 3HG2 VAL 69 -9.895 -5.215 3.901 492 HG22 VAL 69 1HG2 VAL 69 -10.317 -3.763 2.995 493 HG23 VAL 69 2HG2 VAL 69 -10.483 -5.350 2.244 494 H ALA 70 H ALA 70 -12.767 -6.483 6.671 495 HA ALA 70 HA ALA 70 -15.580 -7.184 6.519 496 HB1 ALA 70 3HB ALA 70 -15.471 -7.415 8.848 497 HB2 ALA 70 1HB ALA 70 -14.249 -6.157 9.022 498 HB3 ALA 70 2HB ALA 70 -13.805 -7.734 8.373 499 H ASP 71 H ASP 71 -14.889 -4.686 5.246 500 HA ASP 71 HA ASP 71 -15.663 -2.490 5.024 501 HB2 ASP 71 1HB ASP 71 -17.828 -3.743 5.194 502 HB3 ASP 71 2HB ASP 71 -17.808 -3.461 6.936 503 H ASN 72 H ASN 72 -16.644 -3.190 8.356 504 HA ASN 72 HA ASN 72 -15.421 -0.685 9.287 505 HB2 ASN 72 1HB ASN 72 -17.650 -1.532 10.103 506 HB3 ASN 72 2HB ASN 72 -16.799 -2.858 10.897 507 HD21 ASN 72 2HD2 ASN 72 -17.259 -2.134 13.078 508 HD22 ASN 72 1HD2 ASN 72 -16.594 -0.710 13.719 509 H ALA 73 H ALA 73 -14.046 -3.374 8.398 510 HA ALA 73 HA ALA 73 -12.628 -4.544 10.526 511 HB1 ALA 73 3HB ALA 73 -11.180 -3.935 7.951 512 HB2 ALA 73 1HB ALA 73 -12.596 -4.985 7.907 513 HB3 ALA 73 2HB ALA 73 -11.203 -5.425 8.893 514 H THR 74 H THR 74 -12.624 -1.333 9.637 515 HA THR 74 HA THR 74 -11.284 0.505 10.137 516 HB THR 74 HB THR 74 -10.265 0.455 12.357 517 HG1 THR 74 HG1 THR 74 -9.612 -1.880 11.881 518 HG21 THR 74 3HG2 THR 74 -12.963 0.079 11.811 519 HG22 THR 74 1HG2 THR 74 -12.302 0.440 13.407 520 HG23 THR 74 2HG2 THR 74 -12.616 -1.228 12.945 521 H GLU 75 H GLU 75 -10.164 -2.074 8.751 522 HA GLU 75 HA GLU 75 -7.454 -0.959 8.385 523 HB2 GLU 75 1HB GLU 75 -7.213 -2.608 10.231 524 HB3 GLU 75 2HB GLU 75 -7.900 -3.854 9.188 525 HG2 GLU 75 1HG GLU 75 -6.066 -3.573 7.589 526 HG3 GLU 75 2HG GLU 75 -5.399 -2.258 8.555 527 H LEU 76 H LEU 76 -6.496 -1.642 6.439 528 HA LEU 76 HA LEU 76 -8.267 -3.174 4.574 529 HB2 LEU 76 1HB LEU 76 -8.368 -0.712 4.161 530 HB3 LEU 76 2HB LEU 76 -6.629 -0.714 3.882 531 HG LEU 76 HG LEU 76 -8.149 -2.763 2.314 532 HD11 LEU 76 1HD1 LEU 76 -8.520 0.206 1.873 533 HD12 LEU 76 2HD1 LEU 76 -9.770 -1.017 2.104 534 HD13 LEU 76 3HD1 LEU 76 -8.812 -1.005 0.623 535 HD21 LEU 76 3HD2 LEU 76 -6.629 -1.955 0.534 536 HD22 LEU 76 1HD2 LEU 76 -5.734 -2.366 1.991 537 HD23 LEU 76 2HD2 LEU 76 -6.055 -0.680 1.605 538 H HIS 77 H HIS 77 -7.280 -4.765 3.546 539 HA HIS 77 HA HIS 77 -4.319 -5.049 3.823 540 HB2 HIS 77 1HB HIS 77 -6.474 -7.081 3.151 541 HB3 HIS 77 2HB HIS 77 -4.748 -7.433 3.242 542 HD1 HIS 77 HD1 HIS 77 -3.604 -6.917 5.655 543 HD2 HIS 77 HD2 HIS 77 -7.766 -7.164 5.615 544 HE1 HIS 77 HE1 HIS 77 -4.328 -7.227 8.063 545 H ALA 78 H ALA 78 -3.068 -4.838 2.118 546 HA ALA 78 HA ALA 78 -4.189 -5.155 -0.631 547 HB1 ALA 78 3HB ALA 78 -2.768 -3.165 -1.291 548 HB2 ALA 78 1HB ALA 78 -2.576 -2.824 0.431 549 HB3 ALA 78 2HB ALA 78 -4.178 -2.779 -0.306 550 H ARG 79 H ARG 79 -2.669 -5.750 -2.189 551 HA ARG 79 HA ARG 79 -0.003 -6.662 -1.157 552 HB2 ARG 79 1HB ARG 79 -1.741 -8.144 -3.157 553 HB3 ARG 79 2HB ARG 79 -0.230 -8.698 -2.437 554 HG2 ARG 79 1HG ARG 79 -2.648 -8.024 -0.748 555 HG3 ARG 79 2HG ARG 79 -2.389 -9.633 -1.404 556 HD2 ARG 79 1HD ARG 79 -0.526 -8.125 0.452 557 HD3 ARG 79 2HD ARG 79 -1.487 -9.535 0.856 558 HE ARG 79 HE ARG 79 1.013 -9.532 -0.666 559 HH11 ARG 79 1HH2 ARG 79 -1.933 -11.192 0.110 560 HH12 ARG 79 2HH2 ARG 79 -1.288 -12.754 -0.280 561 HH21 ARG 79 1HH1 ARG 79 1.837 -11.555 -1.171 562 HH22 ARG 79 2HH1 ARG 79 0.833 -12.957 -1.005 563 H PHE 80 H PHE 80 1.687 -6.456 -2.519 564 HA PHE 80 HA PHE 80 1.199 -5.165 -5.181 565 HB2 PHE 80 1HB PHE 80 3.156 -4.348 -3.019 566 HB3 PHE 80 2HB PHE 80 3.273 -3.798 -4.690 567 HD1 PHE 80 HD2 PHE 80 1.231 -3.698 -1.608 568 HD2 PHE 80 HD1 PHE 80 1.681 -2.234 -5.622 569 HE1 PHE 80 HE2 PHE 80 -0.466 -1.944 -1.159 570 HE2 PHE 80 HE1 PHE 80 -0.017 -0.483 -5.173 571 HZ PHE 80 HZ PHE 80 -1.089 -0.336 -2.942 572 H LYS 81 H LYS 81 2.747 -5.599 -6.745 573 HA LYS 81 HA LYS 81 4.525 -7.953 -6.183 574 HB2 LYS 81 1HB LYS 81 2.647 -8.440 -7.713 575 HB3 LYS 81 2HB LYS 81 3.177 -7.135 -8.776 576 HG2 LYS 81 1HG LYS 81 5.314 -8.263 -9.154 577 HG3 LYS 81 2HG LYS 81 4.869 -9.533 -8.013 578 HD2 LYS 81 1HD LYS 81 2.954 -10.144 -9.455 579 HD3 LYS 81 2HD LYS 81 3.429 -8.894 -10.605 580 HE2 LYS 81 1HE LYS 81 5.117 -11.278 -9.785 581 HE3 LYS 81 2HE LYS 81 4.276 -11.091 -11.323 582 HZ1 LYS 81 3HZ LYS 81 6.574 -10.466 -11.560 583 HZ2 LYS 81 1HZ LYS 81 6.450 -9.353 -10.286 584 HZ3 LYS 81 2HZ LYS 81 5.599 -9.086 -11.732 585 H PHE 82 H PHE 82 6.613 -7.645 -6.426 586 HA PHE 82 HA PHE 82 7.605 -5.400 -8.154 587 HB2 PHE 82 1HB PHE 82 8.614 -6.197 -5.403 588 HB3 PHE 82 2HB PHE 82 9.401 -5.035 -6.472 589 HD1 PHE 82 HD2 PHE 82 7.951 -3.056 -7.337 590 HD2 PHE 82 HD1 PHE 82 6.919 -5.468 -3.934 591 HE1 PHE 82 HE2 PHE 82 6.439 -1.266 -6.526 592 HE2 PHE 82 HE1 PHE 82 5.407 -3.677 -3.125 593 HZ PHE 82 HZ PHE 82 5.168 -1.575 -4.421 594 H GLU 83 H GLU 83 9.422 -5.829 -9.301 595 HA GLU 83 HA GLU 83 10.034 -8.571 -9.926 596 HB2 GLU 83 1HB GLU 83 11.934 -7.460 -11.270 597 HB3 GLU 83 2HB GLU 83 10.286 -7.007 -11.701 598 HG2 GLU 83 1HG GLU 83 10.448 -4.933 -10.482 599 HG3 GLU 83 2HG GLU 83 11.978 -5.413 -9.755 600 H VAL 84 H VAL 84 11.556 -6.100 -7.920 601 HA VAL 84 HA VAL 84 13.446 -8.194 -6.896 602 HB VAL 84 HB VAL 84 15.203 -6.507 -6.732 603 HG11 VAL 84 1HG1 VAL 84 13.912 -6.701 -9.469 604 HG12 VAL 84 2HG1 VAL 84 15.119 -7.792 -8.790 605 HG13 VAL 84 3HG1 VAL 84 15.557 -6.130 -9.187 606 HG21 VAL 84 3HG2 VAL 84 13.050 -4.686 -7.823 607 HG22 VAL 84 1HG2 VAL 84 14.759 -4.301 -8.015 608 HG23 VAL 84 2HG2 VAL 84 14.062 -4.453 -6.403 609 H SER 85 H SER 85 14.242 -7.741 -4.751 610 HA SER 85 HA SER 85 12.114 -6.892 -2.963 611 HB2 SER 85 1HB SER 85 14.935 -7.898 -2.528 612 HB3 SER 85 2HB SER 85 13.891 -7.415 -1.192 613 HG SER 85 HG SER 85 13.925 -9.734 -2.081 614 H ALA 86 H ALA 86 14.809 -5.356 -4.431 615 HA ALA 86 HA ALA 86 15.475 -3.402 -2.455 616 HB1 ALA 86 3HB ALA 86 16.600 -2.248 -4.207 617 HB2 ALA 86 1HB ALA 86 15.511 -2.884 -5.442 618 HB3 ALA 86 2HB ALA 86 16.691 -3.945 -4.672 619 H GLU 87 H GLU 87 13.057 -3.454 -5.038 620 HA GLU 87 HA GLU 87 12.096 -0.763 -4.576 621 HB2 GLU 87 1HB GLU 87 10.872 -3.161 -5.985 622 HB3 GLU 87 2HB GLU 87 10.139 -1.556 -5.966 623 HG2 GLU 87 1HG GLU 87 12.096 -0.595 -7.049 624 HG3 GLU 87 2HG GLU 87 12.940 -2.141 -6.971 625 H LYS 88 H LYS 88 11.317 -3.950 -3.330 626 HA LYS 88 HA LYS 88 8.812 -3.346 -2.102 627 HB2 LYS 88 1HB LYS 88 9.653 -5.655 -2.386 628 HB3 LYS 88 2HB LYS 88 10.954 -5.328 -1.241 629 HG2 LYS 88 1HG LYS 88 9.318 -4.920 0.542 630 HG3 LYS 88 2HG LYS 88 7.995 -5.158 -0.598 631 HD2 LYS 88 1HD LYS 88 8.745 -7.479 -0.983 632 HD3 LYS 88 2HD LYS 88 10.064 -7.240 0.164 633 HE2 LYS 88 1HE LYS 88 8.466 -6.836 1.969 634 HE3 LYS 88 2HE LYS 88 7.123 -6.967 0.839 635 HZ1 LYS 88 3HZ LYS 88 9.059 -9.117 1.500 636 HZ2 LYS 88 1HZ LYS 88 7.799 -9.250 0.374 637 HZ3 LYS 88 2HZ LYS 88 7.443 -9.034 2.021 638 H LEU 89 H LEU 89 12.135 -3.272 -0.813 639 HA LEU 89 HA LEU 89 11.446 -2.389 1.813 640 HB2 LEU 89 1HB LEU 89 13.988 -2.041 0.182 641 HB3 LEU 89 2HB LEU 89 13.859 -1.625 1.887 642 HG LEU 89 HG LEU 89 13.256 -4.379 0.767 643 HD11 LEU 89 1HD1 LEU 89 15.428 -5.044 1.718 644 HD12 LEU 89 2HD1 LEU 89 15.734 -3.378 2.203 645 HD13 LEU 89 3HD1 LEU 89 15.648 -3.795 0.492 646 HD21 LEU 89 3HD2 LEU 89 13.250 -3.136 3.511 647 HD22 LEU 89 1HD2 LEU 89 13.736 -4.822 3.356 648 HD23 LEU 89 2HD2 LEU 89 12.145 -4.319 2.812 649 H ILE 90 H ILE 90 12.423 -0.568 -1.081 650 HA ILE 90 HA ILE 90 12.288 2.021 0.185 651 HB ILE 90 HB ILE 90 12.127 1.187 -2.740 652 HG12 ILE 90 1HG1 ILE 90 14.385 2.494 -1.192 653 HG13 ILE 90 2HG1 ILE 90 14.256 0.750 -1.415 654 HG21 ILE 90 1HG2 ILE 90 12.241 3.904 -1.418 655 HG22 ILE 90 2HG2 ILE 90 11.099 3.335 -2.635 656 HG23 ILE 90 3HG2 ILE 90 12.776 3.652 -3.079 657 HD11 ILE 90 3HD1 ILE 90 14.232 2.691 -3.736 658 HD12 ILE 90 1HD1 ILE 90 14.462 0.942 -3.791 659 HD13 ILE 90 2HD1 ILE 90 15.719 1.976 -3.111 660 H PHE 91 H PHE 91 10.016 0.152 -1.802 661 HA PHE 91 HA PHE 91 7.931 2.084 -1.938 662 HB2 PHE 91 1HB PHE 91 7.899 0.137 -3.385 663 HB3 PHE 91 2HB PHE 91 7.864 -0.953 -1.999 664 HD1 PHE 91 HD2 PHE 91 5.973 2.068 -3.198 665 HD2 PHE 91 HD1 PHE 91 5.770 -1.882 -1.518 666 HE1 PHE 91 HE2 PHE 91 3.500 2.205 -3.173 667 HE2 PHE 91 HE1 PHE 91 3.299 -1.742 -1.497 668 HZ PHE 91 HZ PHE 91 2.161 0.301 -2.322 669 H GLU 92 H GLU 92 8.500 -0.586 0.338 670 HA GLU 92 HA GLU 92 6.208 -0.055 1.984 671 HB2 GLU 92 1HB GLU 92 8.802 -1.529 2.510 672 HB3 GLU 92 2HB GLU 92 7.490 -1.442 3.688 673 HG2 GLU 92 1HG GLU 92 5.949 -2.483 2.108 674 HG3 GLU 92 2HG GLU 92 7.192 -2.493 0.857 675 H LEU 93 H LEU 93 9.522 1.104 1.949 676 HA LEU 93 HA LEU 93 9.562 2.351 4.512 677 HB2 LEU 93 1HB LEU 93 11.590 1.952 3.110 678 HB3 LEU 93 2HB LEU 93 11.027 3.169 1.969 679 HG LEU 93 HG LEU 93 11.047 4.850 3.849 680 HD11 LEU 93 1HD1 LEU 93 12.107 2.432 5.306 681 HD12 LEU 93 2HD1 LEU 93 10.900 3.604 5.834 682 HD13 LEU 93 3HD1 LEU 93 12.596 4.050 5.802 683 HD21 LEU 93 3HD2 LEU 93 12.930 4.814 2.333 684 HD22 LEU 93 1HD2 LEU 93 13.629 3.422 3.160 685 HD23 LEU 93 2HD2 LEU 93 13.558 4.986 3.972 686 H LYS 94 H LYS 94 8.727 3.592 1.288 687 HA LYS 94 HA LYS 94 8.134 6.272 2.129 688 HB2 LYS 94 1HB LYS 94 7.213 4.660 -0.268 689 HB3 LYS 94 2HB LYS 94 6.895 6.378 -0.055 690 HG2 LYS 94 1HG LYS 94 9.312 6.833 0.060 691 HG3 LYS 94 2HG LYS 94 9.651 5.113 -0.099 692 HD2 LYS 94 1HD LYS 94 9.848 5.694 -2.334 693 HD3 LYS 94 2HD LYS 94 8.112 5.401 -2.303 694 HE2 LYS 94 1HE LYS 94 9.435 8.103 -1.909 695 HE3 LYS 94 2HE LYS 94 8.643 7.559 -3.387 696 HZ1 LYS 94 3HZ LYS 94 6.651 7.148 -1.847 697 HZ2 LYS 94 1HZ LYS 94 6.997 8.744 -2.302 698 HZ3 LYS 94 2HZ LYS 94 7.449 8.183 -0.764 699 H THR 95 H THR 95 6.097 3.402 1.606 700 HA THR 95 HA THR 95 3.602 4.696 2.209 701 HB THR 95 HB THR 95 2.732 2.378 2.474 702 HG1 THR 95 HG1 THR 95 4.307 0.698 2.055 703 HG21 THR 95 3HG2 THR 95 3.561 1.554 0.176 704 HG22 THR 95 1HG2 THR 95 4.526 3.032 0.139 705 HG23 THR 95 2HG2 THR 95 2.767 3.128 0.235 706 H ARG 96 H ARG 96 6.034 3.081 4.184 707 HA ARG 96 HA ARG 96 4.520 2.816 6.592 708 HB2 ARG 96 1HB ARG 96 6.739 1.735 6.192 709 HB3 ARG 96 2HB ARG 96 7.506 3.320 6.309 710 HG2 ARG 96 1HG ARG 96 6.641 3.579 8.606 711 HG3 ARG 96 2HG ARG 96 5.862 2.002 8.493 712 HD2 ARG 96 1HD ARG 96 8.841 2.465 8.193 713 HD3 ARG 96 2HD ARG 96 8.065 1.934 9.685 714 HE ARG 96 HE ARG 96 8.613 0.275 7.365 715 HH11 ARG 96 1HH2 ARG 96 6.468 0.827 10.035 716 HH12 ARG 96 2HH2 ARG 96 5.960 -0.827 10.117 717 HH21 ARG 96 1HH1 ARG 96 7.951 -1.867 7.481 718 HH22 ARG 96 2HH1 ARG 96 6.792 -2.345 8.677 719 H ALA 97 H ALA 97 6.581 5.439 5.374 720 HA ALA 97 HA ALA 97 6.313 7.146 7.671 721 HB1 ALA 97 3HB ALA 97 6.903 7.876 4.780 722 HB2 ALA 97 1HB ALA 97 8.104 7.427 5.991 723 HB3 ALA 97 2HB ALA 97 7.177 8.914 6.180 724 H LEU 98 H LEU 98 4.406 6.716 4.725 725 HA LEU 98 HA LEU 98 2.803 9.049 4.944 726 HB2 LEU 98 1HB LEU 98 2.974 7.104 3.078 727 HB3 LEU 98 2HB LEU 98 1.585 6.466 3.949 728 HG LEU 98 HG LEU 98 0.775 7.897 2.166 729 HD11 LEU 98 1HD1 LEU 98 0.537 9.584 4.654 730 HD12 LEU 98 2HD1 LEU 98 -0.233 7.997 4.558 731 HD13 LEU 98 3HD1 LEU 98 -0.681 9.265 3.425 732 HD21 LEU 98 3HD2 LEU 98 1.984 10.398 3.274 733 HD22 LEU 98 1HD2 LEU 98 1.677 9.938 1.604 734 HD23 LEU 98 2HD2 LEU 98 3.098 9.323 2.434 735 H ALA 99 H ALA 99 2.349 5.778 6.217 736 HA ALA 99 HA ALA 99 -0.187 6.241 7.475 737 HB1 ALA 99 3HB ALA 99 2.019 4.220 7.961 738 HB2 ALA 99 1HB ALA 99 0.491 3.973 7.116 739 HB3 ALA 99 2HB ALA 99 0.502 4.204 8.863 740 H ARG 100 H ARG 100 3.145 6.624 8.550 741 HA ARG 100 HA ARG 100 2.561 7.132 11.325 742 HB2 ARG 100 1HB ARG 100 4.803 6.473 10.467 743 HB3 ARG 100 2HB ARG 100 4.933 8.028 9.644 744 HG2 ARG 100 1HG ARG 100 4.795 9.198 11.791 745 HG3 ARG 100 2HG ARG 100 4.593 7.661 12.635 746 HD2 ARG 100 1HD ARG 100 6.811 6.923 11.817 747 HD3 ARG 100 2HD ARG 100 7.013 8.467 10.987 748 HE ARG 100 HE ARG 100 6.477 9.094 13.677 749 HH11 ARG 100 1HH2 ARG 100 8.859 7.339 11.845 750 HH12 ARG 100 2HH2 ARG 100 10.136 7.686 12.965 751 HH21 ARG 100 1HH1 ARG 100 8.140 9.524 15.113 752 HH22 ARG 100 2HH1 ARG 100 9.729 8.912 14.804 753 H LEU 101 H LEU 101 2.179 8.928 8.464 754 HA LEU 101 HA LEU 101 1.576 11.140 8.020 755 HB2 LEU 101 1HB LEU 101 0.492 10.828 10.831 756 HB3 LEU 101 2HB LEU 101 0.095 12.163 9.756 757 HG LEU 101 HG LEU 101 -0.322 9.260 8.992 758 HD11 LEU 101 1HD1 LEU 101 -2.190 11.219 10.345 759 HD12 LEU 101 2HD1 LEU 101 -1.745 9.600 10.884 760 HD13 LEU 101 3HD1 LEU 101 -2.771 9.805 9.465 761 HD21 LEU 101 3HD2 LEU 101 -2.068 10.532 7.478 762 HD22 LEU 101 1HD2 LEU 101 -0.373 10.520 7.012 763 HD23 LEU 101 2HD2 LEU 101 -1.061 11.938 7.801 764 H GLU 102 H GLU 102 4.006 11.394 8.161 765 HA GLU 102 HA GLU 102 5.188 12.669 10.456 766 HB2 GLU 102 1HB GLU 102 6.022 12.567 7.540 767 HB3 GLU 102 2HB GLU 102 7.009 13.279 8.818 768 HG2 GLU 102 1HG GLU 102 7.074 11.149 10.011 769 HG3 GLU 102 2HG GLU 102 6.002 10.419 8.817 770 H HIS 103 H HIS 103 5.611 14.813 10.820 771 HA HIS 103 HA HIS 103 3.666 16.710 9.812 772 HB2 HIS 103 1HB HIS 103 6.060 16.976 11.653 773 HB3 HIS 103 2HB HIS 103 5.033 18.343 11.217 774 HD1 HIS 103 HD1 HIS 103 4.969 15.078 13.108 775 HD2 HIS 103 HD2 HIS 103 2.477 18.349 12.423 776 HE1 HIS 103 HE1 HIS 103 3.032 14.857 14.728 777 H HIS 104 H HIS 104 3.968 18.388 8.427 778 HA HIS 104 HA HIS 104 6.573 18.480 6.931 779 HB2 HIS 104 1HB HIS 104 3.733 18.890 5.951 780 HB3 HIS 104 2HB HIS 104 5.168 19.285 5.004 781 HD1 HIS 104 HD1 HIS 104 3.342 16.339 6.511 782 HD2 HIS 104 HD2 HIS 104 6.516 17.066 3.906 783 HE1 HIS 104 HE1 HIS 104 3.942 14.108 5.472 784 H HIS 105 H HIS 105 7.236 20.510 6.174 785 HA HIS 105 HA HIS 105 6.849 22.675 8.038 786 HB2 HIS 105 1HB HIS 105 8.215 22.585 5.327 787 HB3 HIS 105 2HB HIS 105 8.294 23.951 6.440 788 HD1 HIS 105 HD1 HIS 105 10.954 22.771 5.907 789 HD2 HIS 105 HD2 HIS 105 8.451 21.177 8.836 790 HE1 HIS 105 HE1 HIS 105 12.441 21.474 7.494 791 H HIS 106 H HIS 106 5.659 24.494 7.854 792 HA HIS 106 HA HIS 106 3.285 24.478 6.288 793 HB2 HIS 106 1HB HIS 106 4.707 26.709 7.779 794 HB3 HIS 106 2HB HIS 106 3.121 26.902 7.027 795 HD1 HIS 106 HD1 HIS 106 4.869 24.888 9.726 796 HD2 HIS 106 HD2 HIS 106 0.996 25.764 8.454 797 HE1 HIS 106 HE1 HIS 106 3.307 23.944 11.483 798 H HIS 107 H HIS 107 6.388 26.160 5.836 799 HA HIS 107 HA HIS 107 5.510 27.486 3.389 800 HB2 HIS 107 1HB HIS 107 8.278 27.125 4.590 801 HB3 HIS 107 2HB HIS 107 7.916 28.128 3.186 802 HD1 HIS 107 HD1 HIS 107 6.172 30.144 3.627 803 HD2 HIS 107 HD2 HIS 107 7.802 28.379 7.034 804 HE1 HIS 107 HE1 HIS 107 5.752 31.753 5.538 805 H HIS 108 H HIS 108 5.809 26.839 1.333 806 HA HIS 108 HA HIS 108 7.654 24.795 0.487 807 HB2 HIS 108 1HB HIS 108 6.038 23.325 1.622 808 HB3 HIS 108 2HB HIS 108 4.728 24.008 0.655 809 HD1 HIS 108 HD1 HIS 108 8.095 22.310 0.038 810 HD2 HIS 108 HD2 HIS 108 4.304 22.589 -1.675 811 HE1 HIS 108 HE1 HIS 108 8.100 20.764 -1.968 Start of MODEL 6 1 H1 MET 1 1H MET 1 9.453 -24.889 16.326 2 H2 MET 1 2H MET 1 7.811 -24.911 16.762 3 H3 MET 1 3H MET 1 8.899 -26.008 17.473 4 HA MET 1 HA MET 1 10.010 -24.294 18.650 5 HB2 MET 1 1HB MET 1 9.115 -21.925 18.409 6 HB3 MET 1 2HB MET 1 10.005 -22.537 17.015 7 HG2 MET 1 1HG MET 1 7.004 -22.816 17.200 8 HG3 MET 1 2HG MET 1 7.752 -21.354 16.558 9 HE1 MET 1 3HE MET 1 5.893 -24.096 15.267 10 HE2 MET 1 1HE MET 1 6.307 -23.625 13.614 11 HE3 MET 1 2HE MET 1 5.905 -22.394 14.808 12 H SER 2 H SER 2 8.930 -22.851 20.394 13 HA SER 2 HA SER 2 7.562 -22.872 22.283 14 HB2 SER 2 1HB SER 2 5.250 -23.307 20.404 15 HB3 SER 2 2HB SER 2 5.308 -22.349 21.881 16 HG SER 2 HG SER 2 5.865 -20.735 20.672 17 H ASN 3 H ASN 3 8.579 -25.452 21.266 18 HA ASN 3 HA ASN 3 8.404 -27.710 21.818 19 HB2 ASN 3 1HB ASN 3 7.944 -26.587 24.080 20 HB3 ASN 3 2HB ASN 3 6.241 -26.925 23.768 21 HD21 ASN 3 2HD2 ASN 3 6.083 -28.540 25.457 22 HD22 ASN 3 1HD2 ASN 3 6.855 -30.046 25.337 23 H GLN 4 H GLN 4 7.491 -29.192 20.597 24 HA GLN 4 HA GLN 4 5.274 -28.831 18.931 25 HB2 GLN 4 1HB GLN 4 6.398 -31.408 20.094 26 HB3 GLN 4 2HB GLN 4 5.191 -31.359 18.810 27 HG2 GLN 4 1HG GLN 4 6.726 -30.102 17.371 28 HG3 GLN 4 2HG GLN 4 7.932 -30.065 18.658 29 HE21 GLN 4 2HE2 GLN 4 9.085 -31.212 16.624 30 HE22 GLN 4 1HE2 GLN 4 9.024 -32.909 16.637 31 H THR 5 H THR 5 4.730 -31.588 20.855 32 HA THR 5 HA THR 5 2.753 -32.285 21.914 33 HB THR 5 HB THR 5 3.368 -29.699 23.372 34 HG1 THR 5 HG1 THR 5 4.446 -32.210 23.318 35 HG21 THR 5 3HG2 THR 5 2.170 -31.015 25.250 36 HG22 THR 5 1HG2 THR 5 1.499 -31.996 23.949 37 HG23 THR 5 2HG2 THR 5 1.167 -30.265 24.013 38 H CYS 6 H CYS 6 2.005 -28.930 22.506 39 HA CYS 6 HA CYS 6 -0.576 -29.264 21.114 40 HB2 CYS 6 1HB CYS 6 -0.870 -26.849 22.074 41 HB3 CYS 6 2HB CYS 6 -0.860 -28.213 23.189 42 HG CYS 6 HG CYS 6 1.951 -27.197 22.899 43 H VAL 7 H VAL 7 -0.313 -29.096 18.975 44 HA VAL 7 HA VAL 7 1.328 -26.890 17.830 45 HB VAL 7 HB VAL 7 -0.096 -29.131 16.361 46 HG11 VAL 7 1HG1 VAL 7 2.240 -27.329 15.660 47 HG12 VAL 7 2HG1 VAL 7 0.604 -27.188 15.015 48 HG13 VAL 7 3HG1 VAL 7 1.588 -28.602 14.629 49 HG21 VAL 7 3HG2 VAL 7 1.416 -30.195 17.918 50 HG22 VAL 7 1HG2 VAL 7 2.680 -29.011 17.583 51 HG23 VAL 7 2HG2 VAL 7 2.219 -30.182 16.348 52 H GLU 8 H GLU 8 0.237 -25.055 17.706 53 HA GLU 8 HA GLU 8 -1.544 -23.530 17.469 54 HB2 GLU 8 1HB GLU 8 -0.685 -24.030 15.156 55 HB3 GLU 8 2HB GLU 8 -2.000 -25.192 14.986 56 HG2 GLU 8 1HG GLU 8 -3.649 -23.411 15.391 57 HG3 GLU 8 2HG GLU 8 -2.345 -22.247 15.610 58 H ASN 9 H ASN 9 -2.540 -24.868 19.326 59 HA ASN 9 HA ASN 9 -4.858 -26.522 18.636 60 HB2 ASN 9 1HB ASN 9 -3.761 -25.428 21.242 61 HB3 ASN 9 2HB ASN 9 -5.284 -26.317 21.166 62 HD21 ASN 9 2HD2 ASN 9 -3.076 -27.384 22.612 63 HD22 ASN 9 1HD2 ASN 9 -2.509 -28.764 21.801 64 H GLU 10 H GLU 10 -4.842 -23.794 20.886 65 HA GLU 10 HA GLU 10 -6.490 -22.171 21.285 66 HB2 GLU 10 1HB GLU 10 -6.082 -21.979 18.293 67 HB3 GLU 10 2HB GLU 10 -6.977 -20.789 19.241 68 HG2 GLU 10 1HG GLU 10 -5.005 -20.337 20.610 69 HG3 GLU 10 2HG GLU 10 -4.099 -21.589 19.761 70 H VAL 11 H VAL 11 -8.604 -21.270 19.806 71 HA VAL 11 HA VAL 11 -10.527 -23.454 20.167 72 HB VAL 11 HB VAL 11 -10.870 -20.545 19.376 73 HG11 VAL 11 1HG1 VAL 11 -12.860 -22.777 19.830 74 HG12 VAL 11 2HG1 VAL 11 -12.726 -21.710 18.432 75 HG13 VAL 11 3HG1 VAL 11 -13.309 -21.077 19.971 76 HG21 VAL 11 3HG2 VAL 11 -10.179 -20.732 21.666 77 HG22 VAL 11 1HG2 VAL 11 -11.244 -22.109 21.941 78 HG23 VAL 11 2HG2 VAL 11 -11.927 -20.501 21.697 79 H CYS 12 H CYS 12 -11.423 -24.618 18.600 80 HA CYS 12 HA CYS 12 -10.407 -24.455 15.887 81 HB2 CYS 12 1HB CYS 12 -12.174 -26.305 15.529 82 HB3 CYS 12 2HB CYS 12 -10.870 -26.648 16.664 83 HG CYS 12 HG CYS 12 -13.309 -25.462 18.060 84 H GLU 13 H GLU 13 -11.484 -23.862 14.057 85 HA GLU 13 HA GLU 13 -12.988 -22.737 12.689 86 HB2 GLU 13 1HB GLU 13 -14.558 -24.424 13.914 87 HB3 GLU 13 2HB GLU 13 -15.096 -23.015 14.830 88 HG2 GLU 13 1HG GLU 13 -16.575 -23.186 12.953 89 HG3 GLU 13 2HG GLU 13 -15.474 -21.860 12.589 90 H ALA 14 H ALA 14 -11.376 -21.393 14.771 91 HA ALA 14 HA ALA 14 -13.034 -19.096 15.627 92 HB1 ALA 14 3HB ALA 14 -10.786 -18.296 16.544 93 HB2 ALA 14 1HB ALA 14 -10.122 -19.843 16.017 94 HB3 ALA 14 2HB ALA 14 -11.400 -19.798 17.229 95 H CYS 15 H CYS 15 -11.390 -20.029 12.864 96 HA CYS 15 HA CYS 15 -11.563 -17.322 11.749 97 HB2 CYS 15 1HB CYS 15 -9.217 -17.232 11.022 98 HB3 CYS 15 2HB CYS 15 -9.323 -17.291 12.781 99 HG CYS 15 HG CYS 15 -7.975 -19.359 12.701 100 H GLY 16 H GLY 16 -11.060 -17.336 9.425 101 HA2 GLY 16 1HA GLY 16 -12.381 -19.474 8.066 102 HA3 GLY 16 2HA GLY 16 -11.489 -18.169 7.289 103 H CYS 17 H CYS 17 -11.468 -20.811 6.375 104 HA CYS 17 HA CYS 17 -8.943 -22.063 7.233 105 HB2 CYS 17 1HB CYS 17 -11.006 -22.803 5.136 106 HB3 CYS 17 2HB CYS 17 -9.545 -23.743 5.446 107 HG CYS 17 HG CYS 17 -10.428 -24.061 7.946 108 H ALA 18 H ALA 18 -7.104 -22.188 6.013 109 HA ALA 18 HA ALA 18 -6.656 -20.042 4.080 110 HB1 ALA 18 3HB ALA 18 -4.840 -22.264 5.087 111 HB2 ALA 18 1HB ALA 18 -4.903 -20.609 5.696 112 HB3 ALA 18 2HB ALA 18 -4.320 -20.925 4.063 113 H GLY 19 H GLY 19 -7.857 -23.149 3.894 114 HA2 GLY 19 1HA GLY 19 -6.681 -23.962 1.344 115 HA3 GLY 19 2HA GLY 19 -8.030 -24.746 2.170 116 H GLU 20 H GLU 20 -8.880 -21.632 2.212 117 HA GLU 20 HA GLU 20 -10.852 -21.942 0.106 118 HB2 GLU 20 1HB GLU 20 -10.089 -19.549 1.813 119 HB3 GLU 20 2HB GLU 20 -11.479 -19.600 0.728 120 HG2 GLU 20 1HG GLU 20 -11.019 -21.543 3.009 121 HG3 GLU 20 2HG GLU 20 -12.076 -20.135 3.099 122 H ILE 21 H ILE 21 -10.765 -21.259 -1.943 123 HA ILE 21 HA ILE 21 -8.261 -20.053 -2.939 124 HB ILE 21 HB ILE 21 -9.300 -21.989 -4.123 125 HG12 ILE 21 1HG1 ILE 21 -9.381 -19.476 -5.812 126 HG13 ILE 21 2HG1 ILE 21 -7.877 -20.205 -5.249 127 HG21 ILE 21 1HG2 ILE 21 -11.680 -21.166 -3.649 128 HG22 ILE 21 2HG2 ILE 21 -11.378 -21.782 -5.274 129 HG23 ILE 21 3HG2 ILE 21 -11.449 -20.043 -4.991 130 HD11 ILE 21 3HD1 ILE 21 -8.550 -20.934 -7.564 131 HD12 ILE 21 1HD1 ILE 21 -9.974 -21.695 -6.853 132 HD13 ILE 21 2HD1 ILE 21 -8.362 -22.266 -6.425 133 H GLY 22 H GLY 22 -8.060 -18.009 -3.523 134 HA2 GLY 22 1HA GLY 22 -10.254 -16.351 -4.434 135 HA3 GLY 22 2HA GLY 22 -9.768 -15.949 -2.788 136 H PHE 23 H PHE 23 -8.107 -14.584 -2.542 137 HA PHE 23 HA PHE 23 -6.441 -13.897 -4.947 138 HB2 PHE 23 1HB PHE 23 -6.998 -12.261 -2.442 139 HB3 PHE 23 2HB PHE 23 -6.108 -11.725 -3.869 140 HD1 PHE 23 HD2 PHE 23 -7.348 -11.826 -6.143 141 HD2 PHE 23 HD1 PHE 23 -9.332 -11.978 -2.335 142 HE1 PHE 23 HE2 PHE 23 -9.475 -11.148 -7.222 143 HE2 PHE 23 HE1 PHE 23 -11.456 -11.300 -3.412 144 HZ PHE 23 HZ PHE 23 -11.531 -10.886 -5.859 145 H ILE 24 H ILE 24 -5.370 -12.637 -2.004 146 HA ILE 24 HA ILE 24 -3.359 -12.911 -0.862 147 HB ILE 24 HB ILE 24 -4.339 -15.771 -1.020 148 HG12 ILE 24 1HG1 ILE 24 -4.480 -13.774 1.260 149 HG13 ILE 24 2HG1 ILE 24 -5.794 -14.012 0.108 150 HG21 ILE 24 1HG2 ILE 24 -2.005 -15.869 -0.489 151 HG22 ILE 24 2HG2 ILE 24 -2.865 -16.015 1.043 152 HG23 ILE 24 3HG2 ILE 24 -2.126 -14.479 0.590 153 HD11 ILE 24 3HD1 ILE 24 -6.093 -15.364 2.183 154 HD12 ILE 24 1HD1 ILE 24 -4.587 -16.206 1.820 155 HD13 ILE 24 2HD1 ILE 24 -5.970 -16.367 0.738 156 H ILE 25 H ILE 25 -1.738 -12.333 -2.207 157 HA ILE 25 HA ILE 25 -0.854 -14.037 -4.411 158 HB ILE 25 HB ILE 25 0.228 -11.464 -3.240 159 HG12 ILE 25 1HG1 ILE 25 -1.072 -12.018 -5.922 160 HG13 ILE 25 2HG1 ILE 25 -1.977 -11.479 -4.507 161 HG21 ILE 25 1HG2 ILE 25 1.201 -13.169 -5.540 162 HG22 ILE 25 2HG2 ILE 25 2.125 -12.559 -4.167 163 HG23 ILE 25 3HG2 ILE 25 1.573 -11.448 -5.420 164 HD11 ILE 25 3HD1 ILE 25 -0.929 -9.381 -4.476 165 HD12 ILE 25 1HD1 ILE 25 -1.100 -9.686 -6.204 166 HD13 ILE 25 2HD1 ILE 25 0.453 -9.944 -5.411 167 H ARG 26 H ARG 26 0.637 -15.538 -4.346 168 HA ARG 26 HA ARG 26 2.156 -16.030 -1.827 169 HB2 ARG 26 1HB ARG 26 1.583 -17.793 -4.238 170 HB3 ARG 26 2HB ARG 26 2.548 -18.287 -2.845 171 HG2 ARG 26 1HG ARG 26 0.639 -17.917 -1.352 172 HG3 ARG 26 2HG ARG 26 -0.332 -17.346 -2.708 173 HD2 ARG 26 1HD ARG 26 -0.890 -19.679 -2.254 174 HD3 ARG 26 2HD ARG 26 -0.049 -19.570 -3.799 175 HE ARG 26 HE ARG 26 1.827 -20.682 -2.833 176 HH11 ARG 26 1HH2 ARG 26 -0.593 -19.855 -0.483 177 HH12 ARG 26 2HH2 ARG 26 0.116 -20.834 0.759 178 HH21 ARG 26 1HH1 ARG 26 2.736 -21.944 -1.215 179 HH22 ARG 26 2HH1 ARG 26 1.986 -22.011 0.347 180 H GLU 27 H GLU 27 2.702 -14.241 -4.420 181 HA GLU 27 HA GLU 27 5.264 -15.242 -5.364 182 HB2 GLU 27 1HB GLU 27 3.923 -12.537 -5.631 183 HB3 GLU 27 2HB GLU 27 5.446 -12.957 -6.409 184 HG2 GLU 27 1HG GLU 27 4.324 -14.840 -7.564 185 HG3 GLU 27 2HG GLU 27 2.798 -14.386 -6.805 186 H GLY 28 H GLY 28 5.422 -15.343 -2.710 187 HA2 GLY 28 1HA GLY 28 6.239 -13.223 -1.134 188 HA3 GLY 28 2HA GLY 28 6.956 -14.825 -1.013 189 H ASP 29 H ASP 29 8.319 -12.343 -0.642 190 HA ASP 29 HA ASP 29 10.435 -11.473 -1.141 191 HB2 ASP 29 1HB ASP 29 10.724 -13.390 -3.451 192 HB3 ASP 29 2HB ASP 29 11.952 -12.787 -2.343 193 H ASP 30 H ASP 30 8.469 -12.363 -3.954 194 HA ASP 30 HA ASP 30 9.326 -9.906 -5.397 195 HB2 ASP 30 1HB ASP 30 7.720 -12.344 -6.240 196 HB3 ASP 30 2HB ASP 30 7.979 -10.943 -7.276 197 H VAL 31 H VAL 31 7.237 -10.473 -3.056 198 HA VAL 31 HA VAL 31 5.151 -8.637 -4.191 199 HB VAL 31 HB VAL 31 4.473 -11.131 -3.861 200 HG11 VAL 31 1HG1 VAL 31 5.594 -11.031 -1.473 201 HG12 VAL 31 2HG1 VAL 31 4.107 -11.949 -1.709 202 HG13 VAL 31 3HG1 VAL 31 4.046 -10.343 -0.986 203 HG21 VAL 31 3HG2 VAL 31 2.814 -9.441 -4.272 204 HG22 VAL 31 1HG2 VAL 31 2.986 -8.790 -2.641 205 HG23 VAL 31 2HG2 VAL 31 2.255 -10.375 -2.886 206 H ALA 32 H ALA 32 4.188 -7.232 -2.676 207 HA ALA 32 HA ALA 32 5.729 -6.849 -0.130 208 HB1 ALA 32 3HB ALA 32 4.603 -4.744 -1.995 209 HB2 ALA 32 1HB ALA 32 6.310 -5.104 -1.737 210 HB3 ALA 32 2HB ALA 32 5.347 -4.419 -0.430 211 H GLU 33 H GLU 33 4.580 -6.398 1.663 212 HA GLU 33 HA GLU 33 1.651 -6.853 1.538 213 HB2 GLU 33 1HB GLU 33 1.844 -7.150 3.977 214 HB3 GLU 33 2HB GLU 33 2.994 -8.179 3.125 215 HG2 GLU 33 1HG GLU 33 4.755 -6.432 3.497 216 HG3 GLU 33 2HG GLU 33 3.596 -5.526 4.467 217 H VAL 34 H VAL 34 0.175 -5.361 2.080 218 HA VAL 34 HA VAL 34 1.109 -2.681 3.063 219 HB VAL 34 HB VAL 34 -0.923 -3.305 0.897 220 HG11 VAL 34 1HG1 VAL 34 -1.936 -1.584 2.195 221 HG12 VAL 34 2HG1 VAL 34 -1.123 -0.737 0.880 222 HG13 VAL 34 3HG1 VAL 34 -0.390 -0.785 2.483 223 HG21 VAL 34 3HG2 VAL 34 1.415 -3.215 0.155 224 HG22 VAL 34 1HG2 VAL 34 1.630 -1.664 0.968 225 HG23 VAL 34 2HG2 VAL 34 0.549 -1.788 -0.420 226 H SER 35 H SER 35 0.068 -1.995 4.798 227 HA SER 35 HA SER 35 -2.620 -3.124 5.486 228 HB2 SER 35 1HB SER 35 -0.306 -2.749 7.411 229 HB3 SER 35 2HB SER 35 -1.925 -3.305 7.828 230 HG SER 35 HG SER 35 -1.435 -5.212 7.093 231 H LEU 36 H LEU 36 -4.032 -1.577 5.944 232 HA LEU 36 HA LEU 36 -3.020 1.169 6.660 233 HB2 LEU 36 1HB LEU 36 -5.538 0.464 5.128 234 HB3 LEU 36 2HB LEU 36 -4.913 2.079 5.453 235 HG LEU 36 HG LEU 36 -3.477 -0.050 3.839 236 HD11 LEU 36 1HD1 LEU 36 -5.443 0.856 2.659 237 HD12 LEU 36 2HD1 LEU 36 -3.950 1.437 1.920 238 HD13 LEU 36 3HD1 LEU 36 -4.882 2.498 2.975 239 HD21 LEU 36 3HD2 LEU 36 -2.120 2.117 3.226 240 HD22 LEU 36 1HD2 LEU 36 -1.776 1.291 4.742 241 HD23 LEU 36 2HD2 LEU 36 -2.776 2.745 4.737 242 H PHE 37 H PHE 37 -4.214 2.358 8.117 243 HA PHE 37 HA PHE 37 -6.202 0.833 9.777 244 HB2 PHE 37 1HB PHE 37 -4.000 2.718 10.689 245 HB3 PHE 37 2HB PHE 37 -5.269 2.083 11.737 246 HD1 PHE 37 HD2 PHE 37 -5.457 -0.400 12.109 247 HD2 PHE 37 HD1 PHE 37 -2.122 1.370 10.058 248 HE1 PHE 37 HE2 PHE 37 -4.150 -2.482 12.434 249 HE2 PHE 37 HE1 PHE 37 -0.817 -0.713 10.384 250 HZ PHE 37 HZ PHE 37 -1.830 -2.639 11.572 251 H GLY 38 H GLY 38 -8.017 1.900 10.303 252 HA2 GLY 38 1HA GLY 38 -8.388 4.700 10.506 253 HA3 GLY 38 2HA GLY 38 -8.807 4.236 8.859 254 H SER 39 H SER 39 -10.855 5.217 10.045 255 HA SER 39 HA SER 39 -12.386 3.221 11.588 256 HB2 SER 39 1HB SER 39 -14.140 5.032 11.577 257 HB3 SER 39 2HB SER 39 -12.603 5.536 12.268 258 HG SER 39 HG SER 39 -12.934 7.114 10.871 259 H ASP 40 H ASP 40 -13.510 5.248 8.876 260 HA ASP 40 HA ASP 40 -15.198 3.062 7.907 261 HB2 ASP 40 1HB ASP 40 -15.874 5.493 7.871 262 HB3 ASP 40 2HB ASP 40 -14.688 5.741 6.588 263 H LYS 41 H LYS 41 -15.125 2.209 5.787 264 HA LYS 41 HA LYS 41 -12.548 1.330 4.936 265 HB2 LYS 41 1HB LYS 41 -14.687 0.109 4.514 266 HB3 LYS 41 2HB LYS 41 -15.136 1.351 3.341 267 HG2 LYS 41 1HG LYS 41 -13.141 0.840 2.007 268 HG3 LYS 41 2HG LYS 41 -12.638 -0.362 3.194 269 HD2 LYS 41 1HD LYS 41 -14.704 -1.649 2.759 270 HD3 LYS 41 2HD LYS 41 -15.188 -0.451 1.557 271 HE2 LYS 41 1HE LYS 41 -13.172 -0.936 0.236 272 HE3 LYS 41 2HE LYS 41 -12.652 -2.107 1.443 273 HZ1 LYS 41 3HZ LYS 41 -15.140 -2.251 -0.170 274 HZ2 LYS 41 1HZ LYS 41 -14.685 -3.365 1.026 275 HZ3 LYS 41 2HZ LYS 41 -13.753 -3.208 -0.385 276 H ALA 42 H ALA 42 -14.697 3.875 3.720 277 HA ALA 42 HA ALA 42 -13.360 4.547 1.332 278 HB1 ALA 42 3HB ALA 42 -15.545 5.515 2.207 279 HB2 ALA 42 1HB ALA 42 -14.444 6.694 1.495 280 HB3 ALA 42 2HB ALA 42 -14.580 6.562 3.248 281 H HIS 43 H HIS 43 -12.672 5.520 4.663 282 HA HIS 43 HA HIS 43 -10.577 7.398 4.045 283 HB2 HIS 43 1HB HIS 43 -11.758 7.285 6.241 284 HB3 HIS 43 2HB HIS 43 -10.956 5.748 6.563 285 HD1 HIS 43 HD1 HIS 43 -9.261 6.343 8.327 286 HD2 HIS 43 HD2 HIS 43 -9.212 9.029 5.138 287 HE1 HIS 43 HE1 HIS 43 -7.304 7.897 8.730 288 H LEU 44 H LEU 44 -10.582 3.926 4.845 289 HA LEU 44 HA LEU 44 -7.731 3.576 4.836 290 HB2 LEU 44 1HB LEU 44 -9.943 1.597 4.094 291 HB3 LEU 44 2HB LEU 44 -8.262 1.161 4.379 292 HG LEU 44 HG LEU 44 -10.044 2.499 6.438 293 HD11 LEU 44 1HD1 LEU 44 -9.128 -0.389 6.345 294 HD12 LEU 44 2HD1 LEU 44 -10.716 0.142 5.787 295 HD13 LEU 44 3HD1 LEU 44 -10.265 0.339 7.481 296 HD21 LEU 44 3HD2 LEU 44 -7.834 2.998 7.066 297 HD22 LEU 44 1HD2 LEU 44 -7.199 1.486 6.424 298 HD23 LEU 44 2HD2 LEU 44 -8.121 1.491 7.925 299 H GLU 45 H GLU 45 -10.265 3.434 2.415 300 HA GLU 45 HA GLU 45 -8.642 2.653 0.191 301 HB2 GLU 45 1HB GLU 45 -11.255 4.188 0.363 302 HB3 GLU 45 2HB GLU 45 -10.528 3.692 -1.166 303 HG2 GLU 45 1HG GLU 45 -11.192 1.774 1.085 304 HG3 GLU 45 2HG GLU 45 -12.249 2.072 -0.294 305 H GLY 46 H GLY 46 -9.305 5.750 1.697 306 HA2 GLY 46 1HA GLY 46 -8.362 7.491 -0.354 307 HA3 GLY 46 2HA GLY 46 -8.365 7.866 1.370 308 H LYS 47 H LYS 47 -6.657 6.089 2.446 309 HA LYS 47 HA LYS 47 -4.069 7.136 1.758 310 HB2 LYS 47 1HB LYS 47 -4.948 4.805 3.489 311 HB3 LYS 47 2HB LYS 47 -3.256 5.268 3.307 312 HG2 LYS 47 1HG LYS 47 -3.799 7.547 4.113 313 HG3 LYS 47 2HG LYS 47 -5.483 7.066 4.319 314 HD2 LYS 47 1HD LYS 47 -4.858 5.405 5.987 315 HD3 LYS 47 2HD LYS 47 -3.146 5.727 5.713 316 HE2 LYS 47 1HE LYS 47 -3.904 6.899 7.730 317 HE3 LYS 47 2HE LYS 47 -3.478 8.066 6.479 318 HZ1 LYS 47 3HZ LYS 47 -5.733 8.213 7.791 319 HZ2 LYS 47 1HZ LYS 47 -6.245 7.127 6.593 320 HZ3 LYS 47 2HZ LYS 47 -5.632 8.649 6.152 321 H LEU 48 H LEU 48 -5.757 4.125 1.034 322 HA LEU 48 HA LEU 48 -3.659 2.651 -0.118 323 HB2 LEU 48 1HB LEU 48 -5.924 1.729 0.321 324 HB3 LEU 48 2HB LEU 48 -6.578 2.722 -0.981 325 HG LEU 48 HG LEU 48 -5.059 1.566 -2.588 326 HD11 LEU 48 1HD1 LEU 48 -3.213 0.798 -1.383 327 HD12 LEU 48 2HD1 LEU 48 -4.127 -0.690 -1.574 328 HD13 LEU 48 3HD1 LEU 48 -4.193 0.192 -0.050 329 HD21 LEU 48 3HD2 LEU 48 -6.736 -0.359 -0.956 330 HD22 LEU 48 1HD2 LEU 48 -6.277 -0.536 -2.650 331 HD23 LEU 48 2HD2 LEU 48 -7.381 0.752 -2.165 332 H ALA 49 H ALA 49 -5.627 5.238 -1.455 333 HA ALA 49 HA ALA 49 -4.935 4.983 -4.202 334 HB1 ALA 49 3HB ALA 49 -6.683 6.536 -3.170 335 HB2 ALA 49 1HB ALA 49 -5.689 7.256 -4.435 336 HB3 ALA 49 2HB ALA 49 -5.352 7.610 -2.740 337 H GLU 50 H GLU 50 -3.298 6.579 -1.504 338 HA GLU 50 HA GLU 50 -1.223 7.830 -3.061 339 HB2 GLU 50 1HB GLU 50 -1.373 7.018 -0.138 340 HB3 GLU 50 2HB GLU 50 -0.017 7.913 -0.825 341 HG2 GLU 50 1HG GLU 50 -1.521 9.717 -1.520 342 HG3 GLU 50 2HG GLU 50 -2.912 8.817 -0.918 343 H TYR 51 H TYR 51 -1.530 4.699 -1.444 344 HA TYR 51 HA TYR 51 1.156 3.793 -1.783 345 HB2 TYR 51 1HB TYR 51 -1.520 2.411 -1.491 346 HB3 TYR 51 2HB TYR 51 -0.077 1.456 -1.828 347 HD1 TYR 51 HD1 TYR 51 -0.945 4.385 0.371 348 HD2 TYR 51 HD2 TYR 51 0.917 0.531 0.067 349 HE1 TYR 51 HE1 TYR 51 -0.318 4.505 2.761 350 HE2 TYR 51 HE2 TYR 51 1.549 0.651 2.457 351 HH TYR 51 HH TYR 51 1.289 3.549 4.284 352 H ILE 52 H ILE 52 -1.718 3.461 -3.843 353 HA ILE 52 HA ILE 52 -0.451 1.971 -5.935 354 HB ILE 52 HB ILE 52 -2.883 3.795 -5.931 355 HG12 ILE 52 1HG1 ILE 52 -2.691 0.772 -6.062 356 HG13 ILE 52 2HG1 ILE 52 -2.887 1.659 -4.551 357 HG21 ILE 52 1HG2 ILE 52 -3.433 2.530 -8.074 358 HG22 ILE 52 2HG2 ILE 52 -1.753 1.992 -8.085 359 HG23 ILE 52 3HG2 ILE 52 -2.130 3.711 -8.208 360 HD11 ILE 52 3HD1 ILE 52 -4.996 2.588 -5.295 361 HD12 ILE 52 1HD1 ILE 52 -5.055 0.842 -5.539 362 HD13 ILE 52 2HD1 ILE 52 -4.773 1.914 -6.910 363 H SER 53 H SER 53 -1.018 5.469 -5.502 364 HA SER 53 HA SER 53 0.100 6.308 -7.996 365 HB2 SER 53 1HB SER 53 -0.043 7.768 -5.334 366 HB3 SER 53 2HB SER 53 0.365 8.526 -6.871 367 HG SER 53 HG SER 53 -2.068 7.624 -5.897 368 H LEU 54 H LEU 54 1.573 5.999 -4.764 369 HA LEU 54 HA LEU 54 4.207 6.841 -5.545 370 HB2 LEU 54 1HB LEU 54 3.252 5.071 -3.265 371 HB3 LEU 54 2HB LEU 54 4.911 5.635 -3.433 372 HG LEU 54 HG LEU 54 2.511 7.484 -3.305 373 HD11 LEU 54 1HD1 LEU 54 2.862 6.152 -1.200 374 HD12 LEU 54 2HD1 LEU 54 3.086 7.890 -0.988 375 HD13 LEU 54 3HD1 LEU 54 4.489 6.828 -1.105 376 HD21 LEU 54 3HD2 LEU 54 5.502 7.857 -3.445 377 HD22 LEU 54 1HD2 LEU 54 4.531 9.043 -2.580 378 HD23 LEU 54 2HD2 LEU 54 4.227 8.739 -4.281 379 H ALA 55 H ALA 55 2.684 3.657 -5.283 380 HA ALA 55 HA ALA 55 5.007 2.110 -5.918 381 HB1 ALA 55 3HB ALA 55 3.355 0.304 -6.429 382 HB2 ALA 55 1HB ALA 55 2.055 1.492 -6.301 383 HB3 ALA 55 2HB ALA 55 3.034 1.096 -4.888 384 H LYS 56 H LYS 56 2.461 3.530 -7.950 385 HA LYS 56 HA LYS 56 3.237 2.298 -10.407 386 HB2 LYS 56 1HB LYS 56 1.065 3.490 -10.003 387 HB3 LYS 56 2HB LYS 56 1.945 5.020 -10.014 388 HG2 LYS 56 1HG LYS 56 2.698 4.620 -12.289 389 HG3 LYS 56 2HG LYS 56 1.952 3.025 -12.286 390 HD2 LYS 56 1HD LYS 56 -0.271 4.074 -11.973 391 HD3 LYS 56 2HD LYS 56 0.485 5.667 -12.020 392 HE2 LYS 56 1HE LYS 56 0.671 3.641 -14.268 393 HE3 LYS 56 2HE LYS 56 -0.504 4.956 -14.220 394 HZ1 LYS 56 3HZ LYS 56 2.195 5.807 -13.720 395 HZ2 LYS 56 1HZ LYS 56 1.037 6.443 -14.784 396 HZ3 LYS 56 2HZ LYS 56 1.987 5.118 -15.260 397 H GLN 57 H GLN 57 4.098 5.431 -8.945 398 HA GLN 57 HA GLN 57 5.796 6.306 -11.088 399 HB2 GLN 57 1HB GLN 57 5.719 7.045 -8.142 400 HB3 GLN 57 2HB GLN 57 6.736 7.866 -9.328 401 HG2 GLN 57 1HG GLN 57 4.731 8.440 -10.652 402 HG3 GLN 57 2HG GLN 57 3.713 7.632 -9.461 403 HE21 GLN 57 2HE2 GLN 57 5.172 8.560 -7.098 404 HE22 GLN 57 1HE2 GLN 57 4.891 10.228 -6.959 405 H VAL 58 H VAL 58 6.471 4.627 -8.026 406 HA VAL 58 HA VAL 58 9.319 4.519 -8.342 407 HB VAL 58 HB VAL 58 7.399 2.741 -6.797 408 HG11 VAL 58 1HG1 VAL 58 10.418 2.804 -6.931 409 HG12 VAL 58 2HG1 VAL 58 9.349 1.412 -7.108 410 HG13 VAL 58 3HG1 VAL 58 9.565 2.164 -5.527 411 HG21 VAL 58 3HG2 VAL 58 7.970 4.086 -4.914 412 HG22 VAL 58 1HG2 VAL 58 7.700 5.238 -6.223 413 HG23 VAL 58 2HG2 VAL 58 9.344 4.811 -5.750 414 H TYR 59 H TYR 59 6.726 2.234 -9.168 415 HA TYR 59 HA TYR 59 8.701 0.616 -10.736 416 HB2 TYR 59 1HB TYR 59 7.080 -0.380 -8.893 417 HB3 TYR 59 2HB TYR 59 5.862 -0.265 -10.164 418 HD1 TYR 59 HD1 TYR 59 9.446 -1.348 -9.783 419 HD2 TYR 59 HD2 TYR 59 5.603 -2.153 -11.531 420 HE1 TYR 59 HE1 TYR 59 10.347 -3.409 -10.817 421 HE2 TYR 59 HE2 TYR 59 6.504 -4.217 -12.558 422 HH TYR 59 HH TYR 59 8.268 -5.726 -12.402 423 H ALA 60 H ALA 60 6.282 -0.565 -12.105 424 HA ALA 60 HA ALA 60 5.128 1.553 -13.718 425 HB1 ALA 60 3HB ALA 60 7.414 -0.095 -14.802 426 HB2 ALA 60 1HB ALA 60 7.220 1.657 -14.825 427 HB3 ALA 60 2HB ALA 60 6.216 0.646 -15.866 428 H ASN 61 H ASN 61 3.201 0.820 -14.298 429 HA ASN 61 HA ASN 61 1.417 -0.599 -14.794 430 HB2 ASN 61 1HB ASN 61 3.097 -1.062 -16.710 431 HB3 ASN 61 2HB ASN 61 3.453 -2.564 -15.856 432 HD21 ASN 61 2HD2 ASN 61 2.103 -2.297 -18.486 433 HD22 ASN 61 1HD2 ASN 61 0.563 -2.992 -18.306 434 H VAL 62 H VAL 62 2.630 -0.745 -12.227 435 HA VAL 62 HA VAL 62 3.020 -3.451 -11.343 436 HB VAL 62 HB VAL 62 3.881 -1.596 -10.035 437 HG11 VAL 62 1HG1 VAL 62 2.085 0.032 -10.668 438 HG12 VAL 62 2HG1 VAL 62 2.435 0.020 -8.940 439 HG13 VAL 62 3HG1 VAL 62 0.995 -0.794 -9.553 440 HG21 VAL 62 3HG2 VAL 62 3.205 -2.311 -7.867 441 HG22 VAL 62 1HG2 VAL 62 2.997 -3.722 -8.904 442 HG23 VAL 62 2HG2 VAL 62 1.596 -2.761 -8.433 443 H GLU 63 H GLU 63 1.627 -4.917 -10.547 444 HA GLU 63 HA GLU 63 -1.303 -4.261 -10.610 445 HB2 GLU 63 1HB GLU 63 -0.505 -5.874 -12.375 446 HB3 GLU 63 2HB GLU 63 0.004 -6.959 -11.081 447 HG2 GLU 63 1HG GLU 63 -2.199 -7.652 -11.781 448 HG3 GLU 63 2HG GLU 63 -2.360 -6.895 -10.201 449 H TYR 64 H TYR 64 -2.561 -5.060 -8.936 450 HA TYR 64 HA TYR 64 -1.285 -6.557 -6.730 451 HB2 TYR 64 1HB TYR 64 -2.008 -4.872 -5.062 452 HB3 TYR 64 2HB TYR 64 -0.799 -4.232 -6.169 453 HD1 TYR 64 HD2 TYR 64 -4.385 -4.213 -5.259 454 HD2 TYR 64 HD1 TYR 64 -1.345 -2.491 -7.759 455 HE1 TYR 64 HE2 TYR 64 -5.938 -2.384 -5.889 456 HE2 TYR 64 HE1 TYR 64 -2.899 -0.662 -8.387 457 HH TYR 64 HH TYR 64 -6.246 -0.777 -7.698 458 H GLU 65 H GLU 65 -2.866 -7.090 -5.037 459 HA GLU 65 HA GLU 65 -5.690 -7.245 -6.038 460 HB2 GLU 65 1HB GLU 65 -3.995 -9.473 -4.860 461 HB3 GLU 65 2HB GLU 65 -5.743 -9.576 -5.090 462 HG2 GLU 65 1HG GLU 65 -3.765 -9.000 -7.311 463 HG3 GLU 65 2HG GLU 65 -4.443 -10.592 -6.974 464 H VAL 66 H VAL 66 -7.245 -7.203 -4.444 465 HA VAL 66 HA VAL 66 -6.296 -6.595 -1.652 466 HB VAL 66 HB VAL 66 -8.683 -5.421 -3.122 467 HG11 VAL 66 1HG1 VAL 66 -7.581 -5.113 -0.324 468 HG12 VAL 66 2HG1 VAL 66 -9.227 -5.518 -0.809 469 HG13 VAL 66 3HG1 VAL 66 -8.610 -3.884 -1.056 470 HG21 VAL 66 3HG2 VAL 66 -7.420 -3.388 -3.244 471 HG22 VAL 66 1HG2 VAL 66 -6.339 -4.657 -3.817 472 HG23 VAL 66 2HG2 VAL 66 -6.165 -4.022 -2.182 473 H ALA 67 H ALA 67 -7.112 -7.802 -0.100 474 HA ALA 67 HA ALA 67 -8.916 -9.971 -0.748 475 HB1 ALA 67 3HB ALA 67 -7.326 -9.138 1.643 476 HB2 ALA 67 1HB ALA 67 -7.371 -10.697 0.825 477 HB3 ALA 67 2HB ALA 67 -8.677 -10.237 1.915 478 HA PRO 68 HA PRO 68 -12.900 -8.356 0.276 479 HB2 PRO 68 1HB PRO 68 -12.997 -10.458 2.434 480 HB3 PRO 68 2HB PRO 68 -14.211 -10.058 1.199 481 HG2 PRO 68 1HG PRO 68 -12.639 -12.188 0.934 482 HG3 PRO 68 2HG PRO 68 -13.082 -11.192 -0.466 483 HD2 PRO 68 1HD PRO 68 -10.465 -11.373 0.955 484 HD3 PRO 68 2HD PRO 68 -10.822 -10.980 -0.740 485 H VAL 69 H VAL 69 -13.365 -6.576 1.410 486 HA VAL 69 HA VAL 69 -12.490 -6.356 4.270 487 HB VAL 69 HB VAL 69 -12.203 -4.304 2.062 488 HG11 VAL 69 1HG1 VAL 69 -12.199 -4.000 5.070 489 HG12 VAL 69 2HG1 VAL 69 -13.074 -3.040 3.875 490 HG13 VAL 69 3HG1 VAL 69 -11.325 -2.870 4.035 491 HG21 VAL 69 3HG2 VAL 69 -10.116 -5.130 4.078 492 HG22 VAL 69 1HG2 VAL 69 -9.897 -4.472 2.458 493 HG23 VAL 69 2HG2 VAL 69 -10.418 -6.139 2.668 494 H ALA 70 H ALA 70 -14.036 -5.707 5.598 495 HA ALA 70 HA ALA 70 -16.752 -5.303 4.663 496 HB1 ALA 70 3HB ALA 70 -17.356 -5.263 6.953 497 HB2 ALA 70 1HB ALA 70 -15.757 -4.722 7.457 498 HB3 ALA 70 2HB ALA 70 -15.988 -6.372 6.881 499 H ASP 71 H ASP 71 -18.006 -3.426 4.912 500 HA ASP 71 HA ASP 71 -16.747 -0.974 4.154 501 HB2 ASP 71 1HB ASP 71 -18.998 0.028 4.553 502 HB3 ASP 71 2HB ASP 71 -19.086 -1.442 3.587 503 H ASN 72 H ASN 72 -17.812 -2.260 7.258 504 HA ASN 72 HA ASN 72 -17.030 0.259 8.644 505 HB2 ASN 72 1HB ASN 72 -18.405 -2.284 9.578 506 HB3 ASN 72 2HB ASN 72 -17.924 -0.989 10.673 507 HD21 ASN 72 2HD2 ASN 72 -20.683 -1.704 10.291 508 HD22 ASN 72 1HD2 ASN 72 -21.471 -0.403 9.536 509 H ALA 73 H ALA 73 -15.272 -2.003 7.378 510 HA ALA 73 HA ALA 73 -13.805 -3.300 9.448 511 HB1 ALA 73 3HB ALA 73 -13.548 -4.033 7.162 512 HB2 ALA 73 1HB ALA 73 -11.979 -3.450 7.713 513 HB3 ALA 73 2HB ALA 73 -12.974 -2.443 6.661 514 H THR 74 H THR 74 -11.908 -2.771 10.502 515 HA THR 74 HA THR 74 -11.326 0.148 10.723 516 HB THR 74 HB THR 74 -10.257 -0.412 12.833 517 HG1 THR 74 HG1 THR 74 -9.521 -2.531 11.913 518 HG21 THR 74 3HG2 THR 74 -12.802 -2.032 12.604 519 HG22 THR 74 1HG2 THR 74 -12.764 -0.273 12.718 520 HG23 THR 74 2HG2 THR 74 -12.161 -1.257 14.053 521 H GLU 75 H GLU 75 -10.183 -2.466 9.021 522 HA GLU 75 HA GLU 75 -7.637 -1.105 8.480 523 HB2 GLU 75 1HB GLU 75 -6.261 -3.116 8.944 524 HB3 GLU 75 2HB GLU 75 -7.004 -2.462 10.400 525 HG2 GLU 75 1HG GLU 75 -7.394 -4.783 10.577 526 HG3 GLU 75 2HG GLU 75 -8.917 -4.156 9.949 527 H LEU 76 H LEU 76 -6.509 -2.046 6.662 528 HA LEU 76 HA LEU 76 -8.227 -3.770 4.906 529 HB2 LEU 76 1HB LEU 76 -8.375 -1.435 4.182 530 HB3 LEU 76 2HB LEU 76 -6.620 -1.324 4.115 531 HG LEU 76 HG LEU 76 -7.728 -3.625 2.581 532 HD11 LEU 76 1HD1 LEU 76 -8.308 -0.778 1.716 533 HD12 LEU 76 2HD1 LEU 76 -9.502 -2.014 2.119 534 HD13 LEU 76 3HD1 LEU 76 -8.481 -2.204 0.692 535 HD21 LEU 76 3HD2 LEU 76 -6.127 -2.768 0.892 536 HD22 LEU 76 1HD2 LEU 76 -5.359 -2.960 2.466 537 HD23 LEU 76 2HD2 LEU 76 -5.824 -1.357 1.903 538 H HIS 77 H HIS 77 -7.197 -5.400 3.943 539 HA HIS 77 HA HIS 77 -4.206 -5.569 4.192 540 HB2 HIS 77 1HB HIS 77 -5.479 -7.199 5.598 541 HB3 HIS 77 2HB HIS 77 -6.195 -7.859 4.125 542 HD1 HIS 77 HD1 HIS 77 -2.741 -7.215 5.603 543 HD2 HIS 77 HD2 HIS 77 -4.611 -9.781 2.902 544 HE1 HIS 77 HE1 HIS 77 -0.997 -8.913 4.903 545 H ALA 78 H ALA 78 -3.170 -5.574 2.349 546 HA ALA 78 HA ALA 78 -4.246 -6.936 -0.034 547 HB1 ALA 78 3HB ALA 78 -5.163 -4.620 -0.165 548 HB2 ALA 78 1HB ALA 78 -4.051 -4.991 -1.482 549 HB3 ALA 78 2HB ALA 78 -3.513 -3.994 -0.128 550 H ARG 79 H ARG 79 -2.619 -7.129 -1.710 551 HA ARG 79 HA ARG 79 0.198 -6.752 -0.728 552 HB2 ARG 79 1HB ARG 79 -1.014 -9.145 -2.142 553 HB3 ARG 79 2HB ARG 79 0.717 -8.904 -1.903 554 HG2 ARG 79 1HG ARG 79 0.381 -8.819 0.533 555 HG3 ARG 79 2HG ARG 79 -1.353 -9.056 0.307 556 HD2 ARG 79 1HD ARG 79 -0.898 -11.222 -0.805 557 HD3 ARG 79 2HD ARG 79 0.829 -10.999 -0.522 558 HE ARG 79 HE ARG 79 -1.188 -11.722 1.501 559 HH11 ARG 79 1HH2 ARG 79 1.997 -10.523 0.804 560 HH12 ARG 79 2HH2 ARG 79 2.620 -10.948 2.364 561 HH21 ARG 79 1HH1 ARG 79 -0.365 -12.275 3.512 562 HH22 ARG 79 2HH1 ARG 79 1.291 -11.932 3.888 563 H PHE 80 H PHE 80 1.724 -6.326 -2.300 564 HA PHE 80 HA PHE 80 0.677 -5.592 -5.020 565 HB2 PHE 80 1HB PHE 80 2.635 -4.145 -3.217 566 HB3 PHE 80 2HB PHE 80 2.510 -3.817 -4.947 567 HD1 PHE 80 HD1 PHE 80 0.407 -4.068 -1.853 568 HD2 PHE 80 HD2 PHE 80 0.904 -2.302 -5.738 569 HE1 PHE 80 HE1 PHE 80 -1.556 -2.610 -1.443 570 HE2 PHE 80 HE2 PHE 80 -1.058 -0.845 -5.327 571 HZ PHE 80 HZ PHE 80 -2.289 -0.999 -3.181 572 H LYS 81 H LYS 81 2.057 -5.938 -6.742 573 HA LYS 81 HA LYS 81 4.294 -7.868 -6.207 574 HB2 LYS 81 1HB LYS 81 2.659 -7.420 -8.718 575 HB3 LYS 81 2HB LYS 81 3.922 -8.635 -8.510 576 HG2 LYS 81 1HG LYS 81 2.617 -9.599 -6.605 577 HG3 LYS 81 2HG LYS 81 1.324 -8.459 -6.964 578 HD2 LYS 81 1HD LYS 81 2.416 -10.407 -9.007 579 HD3 LYS 81 2HD LYS 81 1.027 -10.769 -7.985 580 HE2 LYS 81 1HE LYS 81 0.042 -8.548 -8.880 581 HE3 LYS 81 2HE LYS 81 1.293 -8.653 -10.117 582 HZ1 LYS 81 3HZ LYS 81 0.324 -11.112 -10.213 583 HZ2 LYS 81 1HZ LYS 81 -0.273 -9.841 -11.166 584 HZ3 LYS 81 2HZ LYS 81 -1.077 -10.278 -9.733 585 H PHE 82 H PHE 82 6.206 -6.940 -6.302 586 HA PHE 82 HA PHE 82 6.682 -4.671 -8.224 587 HB2 PHE 82 1HB PHE 82 7.955 -5.404 -5.575 588 HB3 PHE 82 2HB PHE 82 8.718 -4.289 -6.707 589 HD1 PHE 82 HD1 PHE 82 7.438 -2.235 -7.466 590 HD2 PHE 82 HD2 PHE 82 6.165 -4.687 -4.177 591 HE1 PHE 82 HE1 PHE 82 6.000 -0.388 -6.647 592 HE2 PHE 82 HE2 PHE 82 4.726 -2.839 -3.359 593 HZ PHE 82 HZ PHE 82 4.644 -0.691 -4.593 594 H GLU 83 H GLU 83 7.085 -7.915 -7.896 595 HA GLU 83 HA GLU 83 8.405 -9.485 -9.022 596 HB2 GLU 83 1HB GLU 83 9.558 -7.147 -10.554 597 HB3 GLU 83 2HB GLU 83 9.447 -8.824 -11.066 598 HG2 GLU 83 1HG GLU 83 7.069 -7.028 -10.522 599 HG3 GLU 83 2HG GLU 83 7.703 -7.412 -12.114 600 H VAL 84 H VAL 84 9.788 -6.702 -7.533 601 HA VAL 84 HA VAL 84 12.254 -8.252 -6.901 602 HB VAL 84 HB VAL 84 13.640 -6.371 -7.314 603 HG11 VAL 84 1HG1 VAL 84 12.885 -7.544 -9.357 604 HG12 VAL 84 2HG1 VAL 84 13.182 -5.837 -9.674 605 HG13 VAL 84 3HG1 VAL 84 11.523 -6.427 -9.503 606 HG21 VAL 84 3HG2 VAL 84 11.049 -4.813 -7.449 607 HG22 VAL 84 1HG2 VAL 84 12.563 -4.164 -8.082 608 HG23 VAL 84 2HG2 VAL 84 12.420 -4.556 -6.369 609 H SER 85 H SER 85 12.757 -8.235 -4.820 610 HA SER 85 HA SER 85 10.976 -7.219 -2.825 611 HB2 SER 85 1HB SER 85 12.296 -9.140 -2.280 612 HB3 SER 85 2HB SER 85 13.797 -8.323 -2.707 613 HG SER 85 HG SER 85 12.064 -7.832 -0.519 614 H ALA 86 H ALA 86 14.109 -6.074 -4.032 615 HA ALA 86 HA ALA 86 14.834 -4.102 -2.270 616 HB1 ALA 86 3HB ALA 86 16.141 -4.408 -4.258 617 HB2 ALA 86 1HB ALA 86 15.563 -2.744 -4.301 618 HB3 ALA 86 2HB ALA 86 14.786 -3.973 -5.299 619 H GLU 87 H GLU 87 12.186 -3.901 -4.602 620 HA GLU 87 HA GLU 87 11.559 -1.139 -4.057 621 HB2 GLU 87 1HB GLU 87 10.579 -3.251 -5.768 622 HB3 GLU 87 2HB GLU 87 9.192 -2.553 -4.940 623 HG2 GLU 87 1HG GLU 87 9.541 -1.300 -6.972 624 HG3 GLU 87 2HG GLU 87 10.021 -0.281 -5.617 625 H LYS 88 H LYS 88 10.599 -4.195 -2.664 626 HA LYS 88 HA LYS 88 8.341 -3.346 -1.157 627 HB2 LYS 88 1HB LYS 88 9.001 -5.722 -1.495 628 HB3 LYS 88 2HB LYS 88 10.399 -5.473 -0.453 629 HG2 LYS 88 1HG LYS 88 8.947 -4.923 1.429 630 HG3 LYS 88 2HG LYS 88 7.523 -5.076 0.399 631 HD2 LYS 88 1HD LYS 88 8.085 -7.452 -0.013 632 HD3 LYS 88 2HD LYS 88 9.488 -7.295 1.043 633 HE2 LYS 88 1HE LYS 88 6.661 -6.710 1.957 634 HE3 LYS 88 2HE LYS 88 7.436 -8.281 2.155 635 HZ1 LYS 88 3HZ LYS 88 9.260 -7.079 3.322 636 HZ2 LYS 88 1HZ LYS 88 7.773 -7.060 4.136 637 HZ3 LYS 88 2HZ LYS 88 8.294 -5.682 3.291 638 H LEU 89 H LEU 89 11.788 -3.529 -0.259 639 HA LEU 89 HA LEU 89 11.474 -2.550 2.417 640 HB2 LEU 89 1HB LEU 89 13.848 -2.416 0.519 641 HB3 LEU 89 2HB LEU 89 13.929 -2.071 2.245 642 HG LEU 89 HG LEU 89 12.943 -4.697 1.092 643 HD11 LEU 89 1HD1 LEU 89 15.660 -3.878 2.148 644 HD12 LEU 89 2HD1 LEU 89 15.280 -4.537 0.556 645 HD13 LEU 89 3HD1 LEU 89 15.154 -5.559 1.988 646 HD21 LEU 89 3HD2 LEU 89 12.044 -4.608 3.239 647 HD22 LEU 89 1HD2 LEU 89 13.343 -3.598 3.869 648 HD23 LEU 89 2HD2 LEU 89 13.612 -5.316 3.593 649 H ILE 90 H ILE 90 12.381 -0.861 -0.588 650 HA ILE 90 HA ILE 90 12.539 1.744 0.655 651 HB ILE 90 HB ILE 90 12.221 0.895 -2.248 652 HG12 ILE 90 1HG1 ILE 90 14.622 2.000 -0.758 653 HG13 ILE 90 2HG1 ILE 90 14.331 0.275 -0.981 654 HG21 ILE 90 1HG2 ILE 90 11.395 3.142 -2.124 655 HG22 ILE 90 2HG2 ILE 90 13.065 3.270 -2.670 656 HG23 ILE 90 3HG2 ILE 90 12.660 3.614 -0.990 657 HD11 ILE 90 3HD1 ILE 90 14.369 0.563 -3.421 658 HD12 ILE 90 1HD1 ILE 90 15.862 1.180 -2.712 659 HD13 ILE 90 2HD1 ILE 90 14.600 2.300 -3.225 660 H PHE 91 H PHE 91 10.018 0.074 -1.216 661 HA PHE 91 HA PHE 91 8.113 2.200 -1.264 662 HB2 PHE 91 1HB PHE 91 7.925 0.172 -2.679 663 HB3 PHE 91 2HB PHE 91 7.619 -0.803 -1.241 664 HD1 PHE 91 HD1 PHE 91 6.348 2.226 -3.050 665 HD2 PHE 91 HD2 PHE 91 5.407 -1.098 -0.496 666 HE1 PHE 91 HE1 PHE 91 3.940 2.807 -3.181 667 HE2 PHE 91 HE2 PHE 91 3.000 -0.515 -0.626 668 HZ PHE 91 HZ PHE 91 2.267 1.437 -1.967 669 H GLU 92 H GLU 92 8.596 -0.484 1.011 670 HA GLU 92 HA GLU 92 6.396 0.109 2.732 671 HB2 GLU 92 1HB GLU 92 7.678 -2.037 2.765 672 HB3 GLU 92 2HB GLU 92 9.050 -1.178 3.468 673 HG2 GLU 92 1HG GLU 92 7.686 -0.542 5.407 674 HG3 GLU 92 2HG GLU 92 6.283 -1.340 4.699 675 H LEU 93 H LEU 93 9.804 1.115 2.799 676 HA LEU 93 HA LEU 93 9.693 2.566 5.252 677 HB2 LEU 93 1HB LEU 93 11.732 1.889 3.666 678 HB3 LEU 93 2HB LEU 93 11.455 3.483 2.967 679 HG LEU 93 HG LEU 93 11.891 2.946 5.921 680 HD11 LEU 93 1HD1 LEU 93 13.747 4.015 3.783 681 HD12 LEU 93 2HD1 LEU 93 13.948 2.534 4.719 682 HD13 LEU 93 3HD1 LEU 93 14.074 4.104 5.514 683 HD21 LEU 93 3HD2 LEU 93 11.310 5.411 4.287 684 HD22 LEU 93 1HD2 LEU 93 12.321 5.551 5.726 685 HD23 LEU 93 2HD2 LEU 93 10.684 4.934 5.865 686 H LYS 94 H LYS 94 9.300 3.642 1.880 687 HA LYS 94 HA LYS 94 8.838 6.404 2.453 688 HB2 LYS 94 1HB LYS 94 7.971 4.643 0.138 689 HB3 LYS 94 2HB LYS 94 7.719 6.385 0.178 690 HG2 LYS 94 1HG LYS 94 10.125 6.769 0.368 691 HG3 LYS 94 2HG LYS 94 10.422 5.035 0.450 692 HD2 LYS 94 1HD LYS 94 10.846 5.584 -1.819 693 HD3 LYS 94 2HD LYS 94 9.226 4.891 -1.833 694 HE2 LYS 94 1HE LYS 94 8.204 7.057 -1.965 695 HE3 LYS 94 2HE LYS 94 9.726 7.872 -1.615 696 HZ1 LYS 94 3HZ LYS 94 9.303 6.163 -3.994 697 HZ2 LYS 94 1HZ LYS 94 10.602 7.210 -3.688 698 HZ3 LYS 94 2HZ LYS 94 9.056 7.844 -3.996 699 H THR 95 H THR 95 6.604 3.686 1.983 700 HA THR 95 HA THR 95 4.187 5.193 2.308 701 HB THR 95 HB THR 95 3.225 2.877 2.847 702 HG1 THR 95 HG1 THR 95 5.118 1.399 1.946 703 HG21 THR 95 3HG2 THR 95 4.874 3.183 0.326 704 HG22 THR 95 1HG2 THR 95 3.264 3.859 0.576 705 HG23 THR 95 2HG2 THR 95 3.489 2.110 0.535 706 H ARG 96 H ARG 96 6.222 3.405 4.583 707 HA ARG 96 HA ARG 96 4.469 3.762 6.831 708 HB2 ARG 96 1HB ARG 96 6.405 2.057 6.531 709 HB3 ARG 96 2HB ARG 96 7.449 3.373 7.068 710 HG2 ARG 96 1HG ARG 96 6.933 2.396 9.125 711 HG3 ARG 96 2HG ARG 96 5.642 3.590 9.018 712 HD2 ARG 96 1HD ARG 96 4.153 1.844 8.018 713 HD3 ARG 96 2HD ARG 96 5.448 0.671 8.222 714 HE ARG 96 HE ARG 96 5.035 0.658 10.560 715 HH11 ARG 96 1HH2 ARG 96 3.261 3.158 8.918 716 HH12 ARG 96 2HH2 ARG 96 2.265 3.508 10.293 717 HH21 ARG 96 1HH1 ARG 96 3.737 1.116 12.322 718 HH22 ARG 96 2HH1 ARG 96 2.533 2.357 12.209 719 H ALA 97 H ALA 97 6.674 5.814 5.224 720 HA ALA 97 HA ALA 97 7.274 7.529 7.509 721 HB1 ALA 97 3HB ALA 97 8.429 8.917 5.928 722 HB2 ALA 97 1HB ALA 97 7.519 8.251 4.571 723 HB3 ALA 97 2HB ALA 97 8.714 7.258 5.407 724 H LEU 98 H LEU 98 5.127 7.687 4.694 725 HA LEU 98 HA LEU 98 3.921 10.212 5.632 726 HB2 LEU 98 1HB LEU 98 2.557 10.012 3.569 727 HB3 LEU 98 2HB LEU 98 4.286 9.919 3.250 728 HG LEU 98 HG LEU 98 3.688 7.241 3.647 729 HD11 LEU 98 1HD1 LEU 98 1.378 8.317 2.027 730 HD12 LEU 98 2HD1 LEU 98 1.226 8.007 3.751 731 HD13 LEU 98 3HD1 LEU 98 1.609 6.686 2.652 732 HD21 LEU 98 3HD2 LEU 98 3.602 8.863 1.089 733 HD22 LEU 98 1HD2 LEU 98 3.683 7.105 1.135 734 HD23 LEU 98 2HD2 LEU 98 5.005 8.067 1.793 735 H ALA 99 H ALA 99 3.402 6.832 5.896 736 HA ALA 99 HA ALA 99 0.515 7.009 6.411 737 HB1 ALA 99 3HB ALA 99 0.743 4.587 6.946 738 HB2 ALA 99 1HB ALA 99 2.482 4.740 6.773 739 HB3 ALA 99 2HB ALA 99 1.444 4.980 5.380 740 H ARG 100 H ARG 100 3.495 6.550 8.289 741 HA ARG 100 HA ARG 100 2.238 6.153 10.833 742 HB2 ARG 100 1HB ARG 100 4.428 6.608 11.784 743 HB3 ARG 100 2HB ARG 100 4.655 5.671 10.309 744 HG2 ARG 100 1HG ARG 100 5.027 7.846 9.084 745 HG3 ARG 100 2HG ARG 100 5.015 8.662 10.646 746 HD2 ARG 100 1HD ARG 100 6.909 6.424 9.879 747 HD3 ARG 100 2HD ARG 100 7.324 8.137 9.894 748 HE ARG 100 HE ARG 100 6.990 6.408 12.246 749 HH11 ARG 100 1HH2 ARG 100 7.080 9.622 10.951 750 HH12 ARG 100 2HH2 ARG 100 7.507 10.346 12.466 751 HH21 ARG 100 1HH1 ARG 100 7.549 7.349 14.205 752 HH22 ARG 100 2HH1 ARG 100 7.771 9.064 14.300 753 H LEU 101 H LEU 101 3.086 8.999 8.984 754 HA LEU 101 HA LEU 101 2.688 10.916 11.113 755 HB2 LEU 101 1HB LEU 101 2.684 11.212 8.086 756 HB3 LEU 101 2HB LEU 101 2.604 12.568 9.207 757 HG LEU 101 HG LEU 101 4.820 10.498 9.222 758 HD11 LEU 101 1HD1 LEU 101 6.210 12.249 8.168 759 HD12 LEU 101 2HD1 LEU 101 4.792 13.286 8.035 760 HD13 LEU 101 3HD1 LEU 101 4.869 11.779 7.122 761 HD21 LEU 101 3HD2 LEU 101 5.884 12.629 10.452 762 HD22 LEU 101 1HD2 LEU 101 4.920 11.454 11.333 763 HD23 LEU 101 2HD2 LEU 101 4.197 12.973 10.814 764 H GLU 102 H GLU 102 0.906 12.184 11.545 765 HA GLU 102 HA GLU 102 -1.571 11.947 10.011 766 HB2 GLU 102 1HB GLU 102 -1.628 9.874 11.386 767 HB3 GLU 102 2HB GLU 102 -1.499 10.863 12.844 768 HG2 GLU 102 1HG GLU 102 -3.592 12.001 12.308 769 HG3 GLU 102 2HG GLU 102 -3.707 11.127 10.782 770 H HIS 103 H HIS 103 -2.225 13.970 9.987 771 HA HIS 103 HA HIS 103 -2.471 16.231 10.587 772 HB2 HIS 103 1HB HIS 103 -3.495 14.728 13.011 773 HB3 HIS 103 2HB HIS 103 -3.723 16.461 12.774 774 HD1 HIS 103 HD1 HIS 103 -4.856 17.042 10.285 775 HD2 HIS 103 HD2 HIS 103 -5.538 13.250 11.879 776 HE1 HIS 103 HE1 HIS 103 -6.870 16.103 9.068 777 H HIS 104 H HIS 104 -2.006 15.379 13.911 778 HA HIS 104 HA HIS 104 -0.539 16.285 15.502 779 HB2 HIS 104 1HB HIS 104 0.766 14.392 14.636 780 HB3 HIS 104 2HB HIS 104 1.423 15.413 13.357 781 HD1 HIS 104 HD1 HIS 104 1.364 17.742 15.903 782 HD2 HIS 104 HD2 HIS 104 3.682 14.320 15.364 783 HE1 HIS 104 HE1 HIS 104 3.430 18.041 17.339 784 H HIS 105 H HIS 105 2.045 17.162 13.631 785 HA HIS 105 HA HIS 105 3.016 19.223 13.139 786 HB2 HIS 105 1HB HIS 105 1.287 19.090 11.344 787 HB3 HIS 105 2HB HIS 105 0.176 19.968 12.393 788 HD1 HIS 105 HD1 HIS 105 0.715 22.472 12.890 789 HD2 HIS 105 HD2 HIS 105 3.372 20.663 10.235 790 HE1 HIS 105 HE1 HIS 105 2.048 24.344 11.822 791 H HIS 106 H HIS 106 -0.136 20.505 14.040 792 HA HIS 106 HA HIS 106 -0.768 22.055 15.647 793 HB2 HIS 106 1HB HIS 106 1.317 20.525 17.213 794 HB3 HIS 106 2HB HIS 106 0.227 21.717 17.920 795 HD1 HIS 106 HD1 HIS 106 -2.455 21.180 17.243 796 HD2 HIS 106 HD2 HIS 106 0.230 17.990 17.305 797 HE1 HIS 106 HE1 HIS 106 -3.848 19.074 17.436 798 H HIS 107 H HIS 107 -0.068 23.861 14.543 799 HA HIS 107 HA HIS 107 1.231 25.742 14.052 800 HB2 HIS 107 1HB HIS 107 1.892 25.381 16.988 801 HB3 HIS 107 2HB HIS 107 2.149 26.856 16.058 802 HD1 HIS 107 HD1 HIS 107 -0.124 27.891 14.940 803 HD2 HIS 107 HD2 HIS 107 -0.658 25.178 18.059 804 HE1 HIS 107 HE1 HIS 107 -2.491 28.221 15.781 805 H HIS 108 H HIS 108 3.568 26.717 14.677 806 HA HIS 108 HA HIS 108 5.686 24.699 14.766 807 HB2 HIS 108 1HB HIS 108 6.597 25.206 12.551 808 HB3 HIS 108 2HB HIS 108 4.949 24.605 12.392 809 HD1 HIS 108 HD1 HIS 108 3.128 26.274 11.615 810 HD2 HIS 108 HD2 HIS 108 6.917 27.985 11.928 811 HE1 HIS 108 HE1 HIS 108 2.990 28.534 10.481 Start of MODEL 7 1 H1 MET 1 1H MET 1 0.264 14.587 -30.110 2 H2 MET 1 2H MET 1 1.172 15.997 -29.839 3 H3 MET 1 3H MET 1 0.497 15.154 -28.529 4 HA MET 1 HA MET 1 3.032 14.882 -29.429 5 HB2 MET 1 1HB MET 1 1.296 12.902 -27.920 6 HB3 MET 1 2HB MET 1 3.059 12.881 -27.948 7 HG2 MET 1 1HG MET 1 1.375 15.203 -26.963 8 HG3 MET 1 2HG MET 1 2.162 14.024 -25.921 9 HE1 MET 1 3HE MET 1 5.231 13.688 -27.499 10 HE2 MET 1 1HE MET 1 4.391 13.399 -25.969 11 HE3 MET 1 2HE MET 1 5.743 14.524 -26.036 12 H SER 2 H SER 2 3.953 12.506 -29.829 13 HA SER 2 HA SER 2 3.428 11.876 -32.560 14 HB2 SER 2 1HB SER 2 4.751 10.150 -30.435 15 HB3 SER 2 2HB SER 2 4.880 9.914 -32.176 16 HG SER 2 HG SER 2 5.745 12.158 -30.661 17 H ASN 3 H ASN 3 2.247 10.478 -29.546 18 HA ASN 3 HA ASN 3 0.976 8.160 -30.624 19 HB2 ASN 3 1HB ASN 3 0.480 9.836 -28.151 20 HB3 ASN 3 2HB ASN 3 -0.513 8.427 -28.522 21 HD21 ASN 3 2HD2 ASN 3 1.604 6.792 -29.679 22 HD22 ASN 3 1HD2 ASN 3 2.656 6.362 -28.421 23 H GLN 4 H GLN 4 -0.130 11.482 -30.172 24 HA GLN 4 HA GLN 4 -1.979 12.637 -31.006 25 HB2 GLN 4 1HB GLN 4 -1.821 10.443 -33.096 26 HB3 GLN 4 2HB GLN 4 -2.809 11.893 -33.235 27 HG2 GLN 4 1HG GLN 4 -0.779 13.294 -33.033 28 HG3 GLN 4 2HG GLN 4 0.207 11.836 -32.915 29 HE21 GLN 4 2HE2 GLN 4 1.297 11.726 -34.899 30 HE22 GLN 4 1HE2 GLN 4 0.542 11.821 -36.417 31 H THR 5 H THR 5 -2.256 10.319 -29.123 32 HA THR 5 HA THR 5 -4.583 8.797 -29.615 33 HB THR 5 HB THR 5 -3.367 8.139 -27.720 34 HG1 THR 5 HG1 THR 5 -5.035 9.469 -26.078 35 HG21 THR 5 3HG2 THR 5 -1.973 9.990 -27.278 36 HG22 THR 5 1HG2 THR 5 -2.962 9.851 -25.825 37 HG23 THR 5 2HG2 THR 5 -3.342 11.077 -27.036 38 H CYS 6 H CYS 6 -6.255 9.887 -30.497 39 HA CYS 6 HA CYS 6 -7.247 12.413 -29.381 40 HB2 CYS 6 1HB CYS 6 -9.137 11.907 -31.120 41 HB3 CYS 6 2HB CYS 6 -7.527 12.286 -31.723 42 HG CYS 6 HG CYS 6 -8.041 10.130 -32.960 43 H VAL 7 H VAL 7 -8.972 9.380 -30.125 44 HA VAL 7 HA VAL 7 -10.631 9.793 -27.663 45 HB VAL 7 HB VAL 7 -11.133 8.124 -30.156 46 HG11 VAL 7 1HG1 VAL 7 -12.193 7.053 -28.286 47 HG12 VAL 7 2HG1 VAL 7 -13.451 7.969 -29.116 48 HG13 VAL 7 3HG1 VAL 7 -12.734 8.598 -27.631 49 HG21 VAL 7 3HG2 VAL 7 -11.336 10.522 -30.589 50 HG22 VAL 7 1HG2 VAL 7 -12.318 10.731 -29.139 51 HG23 VAL 7 2HG2 VAL 7 -12.951 9.818 -30.509 52 H GLU 8 H GLU 8 -8.909 7.276 -29.509 53 HA GLU 8 HA GLU 8 -8.097 5.177 -28.872 54 HB2 GLU 8 1HB GLU 8 -6.648 6.734 -27.539 55 HB3 GLU 8 2HB GLU 8 -7.752 6.510 -26.183 56 HG2 GLU 8 1HG GLU 8 -5.960 4.938 -25.875 57 HG3 GLU 8 2HG GLU 8 -7.358 4.012 -26.412 58 H ASN 9 H ASN 9 -9.958 3.966 -29.016 59 HA ASN 9 HA ASN 9 -11.823 3.807 -26.737 60 HB2 ASN 9 1HB ASN 9 -12.662 3.763 -29.074 61 HB3 ASN 9 2HB ASN 9 -11.796 2.248 -29.339 62 HD21 ASN 9 2HD2 ASN 9 -13.851 1.095 -29.668 63 HD22 ASN 9 1HD2 ASN 9 -14.864 0.730 -28.355 64 H GLU 10 H GLU 10 -11.209 2.624 -25.061 65 HA GLU 10 HA GLU 10 -9.222 0.567 -25.098 66 HB2 GLU 10 1HB GLU 10 -11.373 1.237 -23.067 67 HB3 GLU 10 2HB GLU 10 -10.114 0.032 -22.796 68 HG2 GLU 10 1HG GLU 10 -8.377 1.729 -23.117 69 HG3 GLU 10 2HG GLU 10 -9.605 2.946 -23.465 70 H VAL 11 H VAL 11 -9.427 -1.663 -24.945 71 HA VAL 11 HA VAL 11 -11.969 -2.771 -26.073 72 HB VAL 11 HB VAL 11 -9.114 -3.802 -26.069 73 HG11 VAL 11 1HG1 VAL 11 -10.487 -5.743 -25.819 74 HG12 VAL 11 2HG1 VAL 11 -10.142 -5.623 -27.545 75 HG13 VAL 11 3HG1 VAL 11 -11.708 -5.104 -26.920 76 HG21 VAL 11 3HG2 VAL 11 -11.024 -2.820 -28.209 77 HG22 VAL 11 1HG2 VAL 11 -9.509 -3.649 -28.568 78 HG23 VAL 11 2HG2 VAL 11 -9.489 -2.093 -27.736 79 H CYS 12 H CYS 12 -13.202 -3.991 -24.827 80 HA CYS 12 HA CYS 12 -12.310 -4.725 -22.109 81 HB2 CYS 12 1HB CYS 12 -14.488 -3.746 -22.213 82 HB3 CYS 12 2HB CYS 12 -14.985 -4.817 -23.524 83 HG CYS 12 HG CYS 12 -15.738 -6.398 -21.780 84 H GLU 13 H GLU 13 -11.497 -6.664 -21.685 85 HA GLU 13 HA GLU 13 -11.818 -8.885 -23.631 86 HB2 GLU 13 1HB GLU 13 -10.094 -8.594 -21.143 87 HB3 GLU 13 2HB GLU 13 -10.094 -10.004 -22.204 88 HG2 GLU 13 1HG GLU 13 -9.459 -7.178 -23.102 89 HG3 GLU 13 2HG GLU 13 -8.248 -8.406 -22.734 90 H ALA 14 H ALA 14 -13.253 -7.721 -20.815 91 HA ALA 14 HA ALA 14 -14.659 -8.656 -19.182 92 HB1 ALA 14 3HB ALA 14 -16.340 -10.220 -20.141 93 HB2 ALA 14 1HB ALA 14 -15.367 -10.330 -21.609 94 HB3 ALA 14 2HB ALA 14 -16.095 -8.791 -21.146 95 H CYS 15 H CYS 15 -11.968 -10.064 -19.914 96 HA CYS 15 HA CYS 15 -12.331 -12.841 -19.194 97 HB2 CYS 15 1HB CYS 15 -10.346 -11.685 -20.438 98 HB3 CYS 15 2HB CYS 15 -9.744 -11.325 -18.819 99 HG CYS 15 HG CYS 15 -8.933 -13.656 -18.744 100 H GLY 16 H GLY 16 -11.725 -9.873 -17.431 101 HA2 GLY 16 1HA GLY 16 -11.104 -11.219 -14.906 102 HA3 GLY 16 2HA GLY 16 -11.327 -9.483 -15.138 103 H CYS 17 H CYS 17 -13.891 -10.728 -16.642 104 HA CYS 17 HA CYS 17 -15.702 -10.113 -14.424 105 HB2 CYS 17 1HB CYS 17 -16.261 -11.055 -17.257 106 HB3 CYS 17 2HB CYS 17 -17.479 -10.491 -16.113 107 HG CYS 17 HG CYS 17 -15.722 -8.239 -16.149 108 H ALA 18 H ALA 18 -14.394 -12.146 -13.445 109 HA ALA 18 HA ALA 18 -16.376 -14.195 -13.080 110 HB1 ALA 18 3HB ALA 18 -15.330 -14.777 -15.350 111 HB2 ALA 18 1HB ALA 18 -15.376 -16.060 -14.142 112 HB3 ALA 18 2HB ALA 18 -13.872 -15.186 -14.444 113 H GLY 19 H GLY 19 -16.085 -13.992 -10.924 114 HA2 GLY 19 1HA GLY 19 -15.169 -14.482 -8.833 115 HA3 GLY 19 2HA GLY 19 -13.883 -15.354 -9.662 116 H GLU 20 H GLU 20 -12.826 -14.231 -7.698 117 HA GLU 20 HA GLU 20 -12.243 -11.408 -7.845 118 HB2 GLU 20 1HB GLU 20 -10.887 -13.692 -6.379 119 HB3 GLU 20 2HB GLU 20 -10.416 -12.001 -6.199 120 HG2 GLU 20 1HG GLU 20 -12.657 -11.421 -5.413 121 HG3 GLU 20 2HG GLU 20 -13.207 -13.075 -5.678 122 H ILE 21 H ILE 21 -10.745 -10.384 -9.000 123 HA ILE 21 HA ILE 21 -9.020 -11.948 -10.832 124 HB ILE 21 HB ILE 21 -8.511 -9.471 -11.628 125 HG12 ILE 21 1HG1 ILE 21 -9.863 -8.711 -9.432 126 HG13 ILE 21 2HG1 ILE 21 -9.957 -7.785 -10.927 127 HG21 ILE 21 1HG2 ILE 21 -10.763 -9.535 -12.888 128 HG22 ILE 21 2HG2 ILE 21 -11.074 -11.025 -11.998 129 HG23 ILE 21 3HG2 ILE 21 -9.689 -10.920 -13.082 130 HD11 ILE 21 3HD1 ILE 21 -12.191 -8.390 -9.751 131 HD12 ILE 21 1HD1 ILE 21 -11.924 -10.012 -10.383 132 HD13 ILE 21 2HD1 ILE 21 -12.074 -8.656 -11.488 133 H GLY 22 H GLY 22 -6.896 -12.106 -10.645 134 HA2 GLY 22 1HA GLY 22 -4.684 -11.661 -9.970 135 HA3 GLY 22 2HA GLY 22 -5.260 -10.240 -9.097 136 H PHE 23 H PHE 23 -6.901 -13.214 -8.546 137 HA PHE 23 HA PHE 23 -5.868 -13.285 -5.755 138 HB2 PHE 23 1HB PHE 23 -8.312 -13.278 -6.122 139 HB3 PHE 23 2HB PHE 23 -8.178 -14.750 -7.085 140 HD1 PHE 23 HD1 PHE 23 -7.466 -13.342 -3.700 141 HD2 PHE 23 HD2 PHE 23 -8.191 -16.873 -6.037 142 HE1 PHE 23 HE1 PHE 23 -7.577 -14.694 -1.625 143 HE2 PHE 23 HE2 PHE 23 -8.300 -18.225 -3.960 144 HZ PHE 23 HZ PHE 23 -7.992 -17.135 -1.754 145 H ILE 24 H ILE 24 -5.358 -14.833 -8.742 146 HA ILE 24 HA ILE 24 -4.689 -17.474 -7.639 147 HB ILE 24 HB ILE 24 -5.580 -17.276 -9.936 148 HG12 ILE 24 1HG1 ILE 24 -2.680 -18.134 -10.065 149 HG13 ILE 24 2HG1 ILE 24 -3.922 -19.089 -9.254 150 HG21 ILE 24 1HG2 ILE 24 -2.969 -15.958 -10.698 151 HG22 ILE 24 2HG2 ILE 24 -4.421 -15.024 -10.338 152 HG23 ILE 24 3HG2 ILE 24 -4.416 -16.159 -11.686 153 HD11 ILE 24 3HD1 ILE 24 -3.634 -19.887 -11.554 154 HD12 ILE 24 1HD1 ILE 24 -3.928 -18.262 -12.174 155 HD13 ILE 24 2HD1 ILE 24 -5.226 -19.149 -11.374 156 H ILE 25 H ILE 25 -3.112 -14.447 -8.037 157 HA ILE 25 HA ILE 25 -0.397 -15.311 -8.394 158 HB ILE 25 HB ILE 25 -1.539 -12.821 -7.074 159 HG12 ILE 25 1HG1 ILE 25 -0.190 -13.157 -9.770 160 HG13 ILE 25 2HG1 ILE 25 -1.938 -13.252 -9.559 161 HG21 ILE 25 1HG2 ILE 25 1.300 -13.631 -7.734 162 HG22 ILE 25 2HG2 ILE 25 0.664 -13.063 -6.190 163 HG23 ILE 25 3HG2 ILE 25 0.828 -11.943 -7.542 164 HD11 ILE 25 3HD1 ILE 25 -2.080 -10.988 -8.838 165 HD12 ILE 25 1HD1 ILE 25 -0.985 -10.960 -10.220 166 HD13 ILE 25 2HD1 ILE 25 -0.338 -10.879 -8.581 167 H ARG 26 H ARG 26 -2.346 -14.679 -5.507 168 HA ARG 26 HA ARG 26 -2.044 -15.250 -3.267 169 HB2 ARG 26 1HB ARG 26 -0.473 -17.460 -4.605 170 HB3 ARG 26 2HB ARG 26 -0.815 -17.416 -2.878 171 HG2 ARG 26 1HG ARG 26 -3.215 -17.409 -3.310 172 HG3 ARG 26 2HG ARG 26 -2.930 -17.320 -5.047 173 HD2 ARG 26 1HD ARG 26 -3.421 -19.634 -4.437 174 HD3 ARG 26 2HD ARG 26 -1.732 -19.509 -4.928 175 HE ARG 26 HE ARG 26 -1.932 -19.150 -2.087 176 HH11 ARG 26 1HH2 ARG 26 -2.196 -21.526 -4.601 177 HH12 ARG 26 2HH2 ARG 26 -1.728 -22.840 -3.572 178 HH21 ARG 26 1HH1 ARG 26 -1.326 -20.862 -0.756 179 HH22 ARG 26 2HH1 ARG 26 -1.238 -22.465 -1.408 180 H GLU 27 H GLU 27 -0.276 -15.759 -1.591 181 HA GLU 27 HA GLU 27 1.668 -13.636 -1.687 182 HB2 GLU 27 1HB GLU 27 0.618 -14.448 0.416 183 HB3 GLU 27 2HB GLU 27 1.487 -15.975 0.243 184 HG2 GLU 27 1HG GLU 27 3.631 -14.814 0.364 185 HG3 GLU 27 2HG GLU 27 2.812 -13.254 0.419 186 H GLY 28 H GLY 28 2.852 -14.154 -3.589 187 HA2 GLY 28 1HA GLY 28 4.498 -16.586 -3.674 188 HA3 GLY 28 2HA GLY 28 4.475 -15.299 -4.878 189 H ASP 29 H ASP 29 6.886 -16.185 -4.250 190 HA ASP 29 HA ASP 29 8.171 -14.927 -1.998 191 HB2 ASP 29 1HB ASP 29 9.224 -16.084 -4.598 192 HB3 ASP 29 2HB ASP 29 10.281 -15.438 -3.342 193 H ASP 30 H ASP 30 7.363 -13.910 -5.231 194 HA ASP 30 HA ASP 30 9.025 -11.445 -4.982 195 HB2 ASP 30 1HB ASP 30 8.357 -11.064 -7.351 196 HB3 ASP 30 2HB ASP 30 9.166 -12.612 -7.123 197 H VAL 31 H VAL 31 6.506 -12.116 -3.457 198 HA VAL 31 HA VAL 31 4.841 -9.759 -4.297 199 HB VAL 31 HB VAL 31 4.071 -12.333 -2.900 200 HG11 VAL 31 1HG1 VAL 31 2.854 -10.654 -1.734 201 HG12 VAL 31 2HG1 VAL 31 1.741 -11.231 -2.975 202 HG13 VAL 31 3HG1 VAL 31 2.601 -9.708 -3.201 203 HG21 VAL 31 3HG2 VAL 31 2.935 -11.031 -5.385 204 HG22 VAL 31 1HG2 VAL 31 2.689 -12.686 -4.826 205 HG23 VAL 31 2HG2 VAL 31 4.264 -12.189 -5.445 206 H ALA 32 H ALA 32 4.622 -8.156 -2.879 207 HA ALA 32 HA ALA 32 5.987 -8.392 -0.242 208 HB1 ALA 32 3HB ALA 32 6.753 -6.497 -1.431 209 HB2 ALA 32 1HB ALA 32 5.599 -5.841 -0.272 210 HB3 ALA 32 2HB ALA 32 5.130 -6.058 -1.960 211 H GLU 33 H GLU 33 4.975 -7.644 1.653 212 HA GLU 33 HA GLU 33 2.012 -7.998 1.655 213 HB2 GLU 33 1HB GLU 33 3.443 -9.456 3.137 214 HB3 GLU 33 2HB GLU 33 3.934 -8.001 4.006 215 HG2 GLU 33 1HG GLU 33 2.091 -8.982 5.220 216 HG3 GLU 33 2HG GLU 33 1.488 -7.526 4.432 217 H VAL 34 H VAL 34 0.782 -6.267 1.875 218 HA VAL 34 HA VAL 34 1.904 -3.815 3.204 219 HB VAL 34 HB VAL 34 0.143 -4.035 0.746 220 HG11 VAL 34 1HG1 VAL 34 -0.828 -2.271 2.014 221 HG12 VAL 34 2HG1 VAL 34 0.273 -1.467 0.897 222 HG13 VAL 34 3HG1 VAL 34 0.744 -1.706 2.579 223 HG21 VAL 34 3HG2 VAL 34 1.964 -2.674 -0.250 224 HG22 VAL 34 1HG2 VAL 34 2.573 -4.211 0.363 225 HG23 VAL 34 2HG2 VAL 34 2.831 -2.729 1.284 226 H SER 35 H SER 35 0.736 -3.043 4.809 227 HA SER 35 HA SER 35 -2.146 -3.789 5.082 228 HB2 SER 35 1HB SER 35 -0.800 -5.311 6.508 229 HB3 SER 35 2HB SER 35 -0.081 -3.914 7.305 230 HG SER 35 HG SER 35 -2.318 -5.120 7.920 231 H LEU 36 H LEU 36 -3.398 -2.163 5.825 232 HA LEU 36 HA LEU 36 -2.063 0.354 6.741 233 HB2 LEU 36 1HB LEU 36 -2.869 0.528 4.385 234 HB3 LEU 36 2HB LEU 36 -4.497 0.160 4.945 235 HG LEU 36 HG LEU 36 -4.379 2.154 6.462 236 HD11 LEU 36 1HD1 LEU 36 -2.143 2.626 6.889 237 HD12 LEU 36 2HD1 LEU 36 -2.471 3.812 5.636 238 HD13 LEU 36 3HD1 LEU 36 -1.640 2.313 5.228 239 HD21 LEU 36 3HD2 LEU 36 -4.887 3.723 4.777 240 HD22 LEU 36 1HD2 LEU 36 -5.261 2.171 4.030 241 HD23 LEU 36 2HD2 LEU 36 -3.757 3.000 3.634 242 H PHE 37 H PHE 37 -2.968 1.365 8.431 243 HA PHE 37 HA PHE 37 -5.373 0.096 9.703 244 HB2 PHE 37 1HB PHE 37 -3.035 1.592 10.930 245 HB3 PHE 37 2HB PHE 37 -4.452 1.042 11.824 246 HD1 PHE 37 HD1 PHE 37 -4.887 -1.349 12.169 247 HD2 PHE 37 HD2 PHE 37 -1.383 0.010 10.088 248 HE1 PHE 37 HE1 PHE 37 -3.877 -3.602 12.397 249 HE2 PHE 37 HE2 PHE 37 -0.374 -2.245 10.317 250 HZ PHE 37 HZ PHE 37 -1.621 -4.050 11.472 251 H GLY 38 H GLY 38 -7.007 1.408 10.419 252 HA2 GLY 38 1HA GLY 38 -6.865 4.287 10.517 253 HA3 GLY 38 2HA GLY 38 -7.653 3.756 9.033 254 H SER 39 H SER 39 -9.218 5.181 10.546 255 HA SER 39 HA SER 39 -10.691 3.596 12.524 256 HB2 SER 39 1HB SER 39 -11.622 6.224 11.360 257 HB3 SER 39 2HB SER 39 -11.890 5.575 12.976 258 HG SER 39 HG SER 39 -9.559 5.767 13.242 259 H ASP 40 H ASP 40 -11.922 5.415 9.699 260 HA ASP 40 HA ASP 40 -13.951 3.265 9.298 261 HB2 ASP 40 1HB ASP 40 -14.658 5.674 9.508 262 HB3 ASP 40 2HB ASP 40 -13.819 5.997 7.990 263 H LYS 41 H LYS 41 -14.431 2.559 7.146 264 HA LYS 41 HA LYS 41 -12.155 1.682 5.668 265 HB2 LYS 41 1HB LYS 41 -14.321 0.499 5.654 266 HB3 LYS 41 2HB LYS 41 -15.063 1.854 4.803 267 HG2 LYS 41 1HG LYS 41 -13.583 1.509 2.889 268 HG3 LYS 41 2HG LYS 41 -12.726 0.231 3.750 269 HD2 LYS 41 1HD LYS 41 -14.813 -1.092 3.849 270 HD3 LYS 41 2HD LYS 41 -15.657 0.182 2.969 271 HE2 LYS 41 1HE LYS 41 -13.215 -1.250 1.894 272 HE3 LYS 41 2HE LYS 41 -14.869 -1.729 1.517 273 HZ1 LYS 41 3HZ LYS 41 -14.239 1.083 1.166 274 HZ2 LYS 41 1HZ LYS 41 -15.180 0.053 0.202 275 HZ3 LYS 41 2HZ LYS 41 -13.486 0.018 0.078 276 H ALA 42 H ALA 42 -14.469 4.310 5.075 277 HA ALA 42 HA ALA 42 -13.722 5.124 2.514 278 HB1 ALA 42 3HB ALA 42 -14.296 7.477 3.333 279 HB2 ALA 42 1HB ALA 42 -14.509 6.771 4.936 280 HB3 ALA 42 2HB ALA 42 -15.538 6.255 3.600 281 H HIS 43 H HIS 43 -12.162 5.951 5.593 282 HA HIS 43 HA HIS 43 -10.166 7.685 4.462 283 HB2 HIS 43 1HB HIS 43 -10.280 6.106 7.051 284 HB3 HIS 43 2HB HIS 43 -8.959 7.204 6.653 285 HD1 HIS 43 HD1 HIS 43 -10.133 9.656 5.634 286 HD2 HIS 43 HD2 HIS 43 -12.105 7.483 8.596 287 HE1 HIS 43 HE1 HIS 43 -11.734 11.265 6.757 288 H LEU 44 H LEU 44 -10.206 4.228 5.283 289 HA LEU 44 HA LEU 44 -7.476 3.679 4.627 290 HB2 LEU 44 1HB LEU 44 -9.947 1.917 4.643 291 HB3 LEU 44 2HB LEU 44 -8.322 1.295 4.379 292 HG LEU 44 HG LEU 44 -9.083 2.941 6.809 293 HD11 LEU 44 1HD1 LEU 44 -8.959 0.635 7.964 294 HD12 LEU 44 2HD1 LEU 44 -9.170 -0.043 6.353 295 HD13 LEU 44 3HD1 LEU 44 -10.415 0.993 7.041 296 HD21 LEU 44 3HD2 LEU 44 -6.646 1.397 5.919 297 HD22 LEU 44 1HD2 LEU 44 -6.991 1.542 7.639 298 HD23 LEU 44 2HD2 LEU 44 -6.747 2.987 6.672 299 H GLU 45 H GLU 45 -10.452 3.470 2.699 300 HA GLU 45 HA GLU 45 -9.201 2.485 0.318 301 HB2 GLU 45 1HB GLU 45 -11.837 3.692 1.063 302 HB3 GLU 45 2HB GLU 45 -11.403 3.782 -0.645 303 HG2 GLU 45 1HG GLU 45 -12.679 1.718 -0.071 304 HG3 GLU 45 2HG GLU 45 -11.091 1.392 -0.752 305 H GLY 46 H GLY 46 -9.943 5.743 1.491 306 HA2 GLY 46 1HA GLY 46 -9.226 7.208 -0.836 307 HA3 GLY 46 2HA GLY 46 -9.170 7.840 0.810 308 H LYS 47 H LYS 47 -7.280 6.200 1.962 309 HA LYS 47 HA LYS 47 -4.815 7.375 1.005 310 HB2 LYS 47 1HB LYS 47 -5.432 5.259 3.088 311 HB3 LYS 47 2HB LYS 47 -3.797 5.830 2.755 312 HG2 LYS 47 1HG LYS 47 -4.427 8.115 3.323 313 HG3 LYS 47 2HG LYS 47 -6.108 7.635 3.529 314 HD2 LYS 47 1HD LYS 47 -5.261 7.683 5.739 315 HD3 LYS 47 2HD LYS 47 -5.228 5.976 5.310 316 HE2 LYS 47 1HE LYS 47 -2.865 6.052 4.854 317 HE3 LYS 47 2HE LYS 47 -2.840 7.811 4.967 318 HZ1 LYS 47 3HZ LYS 47 -2.299 6.103 6.985 319 HZ2 LYS 47 1HZ LYS 47 -3.913 6.524 7.296 320 HZ3 LYS 47 2HZ LYS 47 -2.729 7.736 7.169 321 H LEU 48 H LEU 48 -6.495 4.376 0.467 322 HA LEU 48 HA LEU 48 -4.329 2.768 -0.402 323 HB2 LEU 48 1HB LEU 48 -6.944 2.256 -0.047 324 HB3 LEU 48 2HB LEU 48 -7.019 2.565 -1.779 325 HG LEU 48 HG LEU 48 -6.664 0.176 -1.403 326 HD11 LEU 48 1HD1 LEU 48 -3.973 1.244 -2.235 327 HD12 LEU 48 2HD1 LEU 48 -5.392 1.509 -3.249 328 HD13 LEU 48 3HD1 LEU 48 -4.857 -0.130 -2.885 329 HD21 LEU 48 3HD2 LEU 48 -5.214 -0.669 0.151 330 HD22 LEU 48 1HD2 LEU 48 -5.257 0.942 0.855 331 HD23 LEU 48 2HD2 LEU 48 -3.947 0.485 -0.232 332 H ALA 49 H ALA 49 -6.452 4.965 -2.203 333 HA ALA 49 HA ALA 49 -5.492 4.508 -4.814 334 HB1 ALA 49 3HB ALA 49 -7.394 5.970 -4.436 335 HB2 ALA 49 1HB ALA 49 -6.139 6.918 -5.234 336 HB3 ALA 49 2HB ALA 49 -6.406 7.092 -3.499 337 H GLU 50 H GLU 50 -4.119 6.456 -2.213 338 HA GLU 50 HA GLU 50 -2.039 7.693 -3.784 339 HB2 GLU 50 1HB GLU 50 -2.200 7.123 -0.799 340 HB3 GLU 50 2HB GLU 50 -1.014 8.183 -1.562 341 HG2 GLU 50 1HG GLU 50 -4.019 8.566 -1.716 342 HG3 GLU 50 2HG GLU 50 -2.951 9.445 -0.625 343 H TYR 51 H TYR 51 -2.268 4.719 -1.893 344 HA TYR 51 HA TYR 51 0.490 3.970 -1.967 345 HB2 TYR 51 1HB TYR 51 -2.104 2.487 -1.574 346 HB3 TYR 51 2HB TYR 51 -0.618 1.563 -1.772 347 HD1 TYR 51 HD1 TYR 51 -1.334 4.830 -0.045 348 HD2 TYR 51 HD2 TYR 51 0.043 0.780 0.329 349 HE1 TYR 51 HE1 TYR 51 -0.748 5.254 2.313 350 HE2 TYR 51 HE2 TYR 51 0.626 1.204 2.699 351 HH TYR 51 HH TYR 51 0.341 4.444 4.106 352 H ILE 52 H ILE 52 -2.195 3.368 -4.191 353 HA ILE 52 HA ILE 52 -0.816 1.567 -5.941 354 HB ILE 52 HB ILE 52 -2.994 3.548 -6.701 355 HG12 ILE 52 1HG1 ILE 52 -3.769 2.305 -4.764 356 HG13 ILE 52 2HG1 ILE 52 -4.547 1.622 -6.185 357 HG21 ILE 52 1HG2 ILE 52 -1.926 2.443 -8.597 358 HG22 ILE 52 2HG2 ILE 52 -3.544 1.777 -8.372 359 HG23 ILE 52 3HG2 ILE 52 -2.130 0.872 -7.829 360 HD11 ILE 52 3HD1 ILE 52 -2.524 -0.034 -6.194 361 HD12 ILE 52 1HD1 ILE 52 -3.812 -0.278 -5.016 362 HD13 ILE 52 2HD1 ILE 52 -2.309 0.493 -4.526 363 H SER 53 H SER 53 -1.202 5.099 -6.007 364 HA SER 53 HA SER 53 0.177 5.563 -8.458 365 HB2 SER 53 1HB SER 53 -0.032 7.320 -5.985 366 HB3 SER 53 2HB SER 53 0.547 7.867 -7.557 367 HG SER 53 HG SER 53 -2.025 6.933 -6.830 368 H LEU 54 H LEU 54 1.356 5.330 -5.122 369 HA LEU 54 HA LEU 54 4.091 5.987 -5.658 370 HB2 LEU 54 1HB LEU 54 2.837 4.263 -3.489 371 HB3 LEU 54 2HB LEU 54 4.525 4.760 -3.493 372 HG LEU 54 HG LEU 54 2.198 6.704 -3.589 373 HD11 LEU 54 1HD1 LEU 54 3.912 5.912 -1.213 374 HD12 LEU 54 2HD1 LEU 54 2.240 5.413 -1.460 375 HD13 LEU 54 3HD1 LEU 54 2.624 7.115 -1.216 376 HD21 LEU 54 3HD2 LEU 54 5.199 6.964 -3.444 377 HD22 LEU 54 1HD2 LEU 54 4.195 8.187 -2.668 378 HD23 LEU 54 2HD2 LEU 54 4.040 7.893 -4.392 379 H ALA 55 H ALA 55 2.320 2.933 -5.639 380 HA ALA 55 HA ALA 55 4.480 1.137 -5.956 381 HB1 ALA 55 3HB ALA 55 2.808 -0.407 -6.907 382 HB2 ALA 55 1HB ALA 55 1.685 0.934 -7.135 383 HB3 ALA 55 2HB ALA 55 2.147 0.433 -5.508 384 H LYS 56 H LYS 56 2.540 2.793 -8.444 385 HA LYS 56 HA LYS 56 3.900 1.662 -10.694 386 HB2 LYS 56 1HB LYS 56 2.323 4.226 -10.347 387 HB3 LYS 56 2HB LYS 56 2.955 3.691 -11.905 388 HG2 LYS 56 1HG LYS 56 1.718 1.565 -11.676 389 HG3 LYS 56 2HG LYS 56 1.075 2.109 -10.126 390 HD2 LYS 56 1HD LYS 56 -0.072 3.970 -11.202 391 HD3 LYS 56 2HD LYS 56 0.654 3.560 -12.756 392 HE2 LYS 56 1HE LYS 56 -1.643 2.698 -12.643 393 HE3 LYS 56 2HE LYS 56 -0.494 1.361 -12.698 394 HZ1 LYS 56 3HZ LYS 56 -1.945 0.800 -10.993 395 HZ2 LYS 56 1HZ LYS 56 -2.023 2.383 -10.391 396 HZ3 LYS 56 2HZ LYS 56 -0.615 1.461 -10.168 397 H GLN 57 H GLN 57 4.439 4.646 -8.841 398 HA GLN 57 HA GLN 57 6.530 5.687 -10.503 399 HB2 GLN 57 1HB GLN 57 5.927 6.073 -7.550 400 HB3 GLN 57 2HB GLN 57 7.161 6.985 -8.422 401 HG2 GLN 57 1HG GLN 57 5.473 7.852 -9.967 402 HG3 GLN 57 2HG GLN 57 4.224 6.892 -9.174 403 HE21 GLN 57 2HE2 GLN 57 3.450 9.379 -9.026 404 HE22 GLN 57 1HE2 GLN 57 3.856 10.158 -7.573 405 H VAL 58 H VAL 58 6.567 3.625 -7.613 406 HA VAL 58 HA VAL 58 9.421 3.409 -7.396 407 HB VAL 58 HB VAL 58 7.185 1.578 -6.463 408 HG11 VAL 58 1HG1 VAL 58 9.135 0.207 -6.556 409 HG12 VAL 58 2HG1 VAL 58 9.024 0.747 -4.880 410 HG13 VAL 58 3HG1 VAL 58 10.170 1.513 -5.981 411 HG21 VAL 58 3HG2 VAL 58 7.430 2.674 -4.355 412 HG22 VAL 58 1HG2 VAL 58 7.414 3.969 -5.554 413 HG23 VAL 58 2HG2 VAL 58 8.940 3.440 -4.847 414 H TYR 59 H TYR 59 6.964 1.365 -8.963 415 HA TYR 59 HA TYR 59 9.124 0.194 -10.667 416 HB2 TYR 59 1HB TYR 59 8.668 -1.420 -8.878 417 HB3 TYR 59 2HB TYR 59 6.946 -1.376 -9.258 418 HD1 TYR 59 HD1 TYR 59 10.263 -1.935 -10.926 419 HD2 TYR 59 HD2 TYR 59 6.092 -2.950 -10.775 420 HE1 TYR 59 HE1 TYR 59 10.614 -3.654 -12.680 421 HE2 TYR 59 HE2 TYR 59 6.443 -4.665 -12.526 422 HH TYR 59 HH TYR 59 9.368 -5.873 -13.351 423 H ALA 60 H ALA 60 8.436 -0.504 -12.690 424 HA ALA 60 HA ALA 60 6.451 1.052 -13.979 425 HB1 ALA 60 3HB ALA 60 8.403 -0.061 -15.096 426 HB2 ALA 60 1HB ALA 60 6.873 -0.334 -15.929 427 HB3 ALA 60 2HB ALA 60 7.571 -1.606 -14.924 428 H ASN 61 H ASN 61 5.381 -1.304 -15.544 429 HA ASN 61 HA ASN 61 2.790 -1.441 -14.610 430 HB2 ASN 61 1HB ASN 61 4.409 -3.572 -16.022 431 HB3 ASN 61 2HB ASN 61 2.673 -3.718 -15.739 432 HD21 ASN 61 2HD2 ASN 61 3.841 -3.518 -18.393 433 HD22 ASN 61 1HD2 ASN 61 3.300 -2.064 -19.084 434 H VAL 62 H VAL 62 2.689 -1.517 -12.393 435 HA VAL 62 HA VAL 62 3.681 -3.959 -11.011 436 HB VAL 62 HB VAL 62 4.233 -1.743 -10.043 437 HG11 VAL 62 1HG1 VAL 62 2.026 -0.702 -10.841 438 HG12 VAL 62 2HG1 VAL 62 2.568 -0.261 -9.223 439 HG13 VAL 62 3HG1 VAL 62 1.289 -1.456 -9.427 440 HG21 VAL 62 3HG2 VAL 62 3.778 -3.885 -8.679 441 HG22 VAL 62 1HG2 VAL 62 2.236 -3.139 -8.258 442 HG23 VAL 62 2HG2 VAL 62 3.749 -2.356 -7.804 443 H GLU 63 H GLU 63 2.357 -5.480 -10.318 444 HA GLU 63 HA GLU 63 -0.591 -5.130 -10.695 445 HB2 GLU 63 1HB GLU 63 1.129 -7.630 -10.503 446 HB3 GLU 63 2HB GLU 63 -0.625 -7.624 -10.678 447 HG2 GLU 63 1HG GLU 63 0.087 -7.841 -12.903 448 HG3 GLU 63 2HG GLU 63 -0.171 -6.105 -12.767 449 H TYR 64 H TYR 64 -1.929 -5.313 -9.003 450 HA TYR 64 HA TYR 64 -0.996 -6.441 -6.430 451 HB2 TYR 64 1HB TYR 64 -1.632 -4.422 -5.179 452 HB3 TYR 64 2HB TYR 64 -0.344 -4.061 -6.327 453 HD1 TYR 64 HD2 TYR 64 -0.820 -2.792 -8.402 454 HD2 TYR 64 HD1 TYR 64 -3.867 -3.527 -5.465 455 HE1 TYR 64 HE2 TYR 64 -2.244 -1.044 -9.439 456 HE2 TYR 64 HE1 TYR 64 -5.288 -1.779 -6.500 457 HH TYR 64 HH TYR 64 -5.291 -0.038 -7.958 458 H GLU 65 H GLU 65 -2.765 -6.650 -4.886 459 HA GLU 65 HA GLU 65 -5.514 -6.437 -5.999 460 HB2 GLU 65 1HB GLU 65 -4.643 -8.743 -6.527 461 HB3 GLU 65 2HB GLU 65 -4.457 -9.012 -4.793 462 HG2 GLU 65 1HG GLU 65 -6.601 -9.920 -5.428 463 HG3 GLU 65 2HG GLU 65 -6.912 -8.438 -4.531 464 H VAL 66 H VAL 66 -7.059 -6.180 -4.450 465 HA VAL 66 HA VAL 66 -6.128 -5.993 -1.602 466 HB VAL 66 HB VAL 66 -6.527 -3.777 -2.671 467 HG11 VAL 66 1HG1 VAL 66 -9.452 -4.532 -2.783 468 HG12 VAL 66 2HG1 VAL 66 -8.395 -4.727 -4.181 469 HG13 VAL 66 3HG1 VAL 66 -8.653 -3.127 -3.488 470 HG21 VAL 66 3HG2 VAL 66 -6.995 -4.341 -0.211 471 HG22 VAL 66 1HG2 VAL 66 -8.700 -4.386 -0.660 472 HG23 VAL 66 2HG2 VAL 66 -7.776 -2.895 -0.847 473 H ALA 67 H ALA 67 -7.237 -7.155 -0.197 474 HA ALA 67 HA ALA 67 -9.446 -8.837 -1.086 475 HB1 ALA 67 3HB ALA 67 -7.655 -8.651 1.251 476 HB2 ALA 67 1HB ALA 67 -8.397 -10.079 0.538 477 HB3 ALA 67 2HB ALA 67 -9.296 -9.107 1.702 478 HA PRO 68 HA PRO 68 -12.910 -6.410 0.096 479 HB2 PRO 68 1HB PRO 68 -14.436 -8.245 1.559 480 HB3 PRO 68 2HB PRO 68 -14.385 -8.146 -0.211 481 HG2 PRO 68 1HG PRO 68 -12.936 -10.000 1.622 482 HG3 PRO 68 2HG PRO 68 -13.648 -10.313 0.028 483 HD2 PRO 68 1HD PRO 68 -10.978 -9.995 0.357 484 HD3 PRO 68 2HD PRO 68 -11.812 -9.450 -1.115 485 H VAL 69 H VAL 69 -13.491 -5.024 1.697 486 HA VAL 69 HA VAL 69 -12.663 -5.630 4.512 487 HB VAL 69 HB VAL 69 -12.215 -3.004 3.063 488 HG11 VAL 69 1HG1 VAL 69 -11.495 -3.956 5.846 489 HG12 VAL 69 2HG1 VAL 69 -12.701 -2.729 5.453 490 HG13 VAL 69 3HG1 VAL 69 -10.993 -2.419 5.145 491 HG21 VAL 69 3HG2 VAL 69 -10.650 -4.717 2.292 492 HG22 VAL 69 1HG2 VAL 69 -10.289 -5.169 3.958 493 HG23 VAL 69 2HG2 VAL 69 -9.807 -3.585 3.349 494 H ALA 70 H ALA 70 -14.112 -5.061 6.004 495 HA ALA 70 HA ALA 70 -16.764 -4.189 5.183 496 HB1 ALA 70 3HB ALA 70 -15.506 -4.899 7.835 497 HB2 ALA 70 1HB ALA 70 -16.747 -5.772 6.940 498 HB3 ALA 70 2HB ALA 70 -17.143 -4.252 7.737 499 H ASP 71 H ASP 71 -17.874 -2.422 6.339 500 HA ASP 71 HA ASP 71 -16.595 0.090 5.919 501 HB2 ASP 71 1HB ASP 71 -19.043 -0.209 5.851 502 HB3 ASP 71 2HB ASP 71 -19.053 -0.585 7.573 503 H ASN 72 H ASN 72 -17.313 -1.721 8.885 504 HA ASN 72 HA ASN 72 -15.735 0.245 10.482 505 HB2 ASN 72 1HB ASN 72 -17.623 -2.003 11.250 506 HB3 ASN 72 2HB ASN 72 -16.688 -1.072 12.423 507 HD21 ASN 72 2HD2 ASN 72 -19.572 -1.007 12.375 508 HD22 ASN 72 1HD2 ASN 72 -20.055 0.559 11.933 509 H ALA 73 H ALA 73 -14.629 -1.851 8.607 510 HA ALA 73 HA ALA 73 -13.431 -3.972 10.119 511 HB1 ALA 73 3HB ALA 73 -12.098 -2.717 7.717 512 HB2 ALA 73 1HB ALA 73 -13.601 -3.617 7.526 513 HB3 ALA 73 2HB ALA 73 -12.176 -4.419 8.179 514 H THR 74 H THR 74 -12.653 -0.609 9.697 515 HA THR 74 HA THR 74 -10.940 0.739 10.544 516 HB THR 74 HB THR 74 -10.186 0.187 12.807 517 HG1 THR 74 HG1 THR 74 -11.624 -2.219 12.620 518 HG21 THR 74 3HG2 THR 74 -13.090 -0.307 12.154 519 HG22 THR 74 1HG2 THR 74 -12.344 1.159 12.786 520 HG23 THR 74 2HG2 THR 74 -12.509 -0.262 13.817 521 H GLU 75 H GLU 75 -10.375 -2.103 9.106 522 HA GLU 75 HA GLU 75 -7.449 -1.635 9.036 523 HB2 GLU 75 1HB GLU 75 -8.755 -4.276 9.741 524 HB3 GLU 75 2HB GLU 75 -7.075 -4.126 9.222 525 HG2 GLU 75 1HG GLU 75 -6.641 -2.568 11.093 526 HG3 GLU 75 2HG GLU 75 -8.313 -2.742 11.621 527 H LEU 76 H LEU 76 -6.439 -2.587 7.206 528 HA LEU 76 HA LEU 76 -8.223 -3.601 5.054 529 HB2 LEU 76 1HB LEU 76 -8.130 -1.224 4.654 530 HB3 LEU 76 2HB LEU 76 -6.380 -1.210 4.836 531 HG LEU 76 HG LEU 76 -7.365 -3.153 2.803 532 HD11 LEU 76 1HD1 LEU 76 -7.745 -1.355 1.106 533 HD12 LEU 76 2HD1 LEU 76 -7.732 -0.172 2.415 534 HD13 LEU 76 3HD1 LEU 76 -8.985 -1.413 2.360 535 HD21 LEU 76 3HD2 LEU 76 -5.432 -2.446 1.626 536 HD22 LEU 76 1HD2 LEU 76 -4.950 -2.378 3.320 537 HD23 LEU 76 2HD2 LEU 76 -5.379 -0.896 2.470 538 H HIS 77 H HIS 77 -7.254 -5.029 3.719 539 HA HIS 77 HA HIS 77 -4.350 -5.641 4.185 540 HB2 HIS 77 1HB HIS 77 -5.937 -7.346 5.111 541 HB3 HIS 77 2HB HIS 77 -6.551 -7.604 3.477 542 HD1 HIS 77 HD1 HIS 77 -4.832 -8.578 1.707 543 HD2 HIS 77 HD2 HIS 77 -3.464 -8.563 5.645 544 HE1 HIS 77 HE1 HIS 77 -2.796 -10.084 1.763 545 H ALA 78 H ALA 78 -3.120 -5.535 2.453 546 HA ALA 78 HA ALA 78 -4.199 -6.090 -0.241 547 HB1 ALA 78 3HB ALA 78 -3.096 -3.407 0.615 548 HB2 ALA 78 1HB ALA 78 -4.632 -3.748 -0.181 549 HB3 ALA 78 2HB ALA 78 -3.121 -3.922 -1.072 550 H ARG 79 H ARG 79 -2.537 -6.434 -1.789 551 HA ARG 79 HA ARG 79 0.239 -6.695 -0.710 552 HB2 ARG 79 1HB ARG 79 0.442 -8.897 -1.784 553 HB3 ARG 79 2HB ARG 79 -0.830 -8.906 -0.566 554 HG2 ARG 79 1HG ARG 79 -2.531 -8.603 -2.339 555 HG3 ARG 79 2HG ARG 79 -1.256 -8.602 -3.559 556 HD2 ARG 79 1HD ARG 79 -0.591 -10.878 -2.877 557 HD3 ARG 79 2HD ARG 79 -1.869 -10.893 -1.660 558 HE ARG 79 HE ARG 79 -2.239 -11.150 -4.579 559 HH11 ARG 79 1HH2 ARG 79 -3.615 -10.588 -1.445 560 HH12 ARG 79 2HH2 ARG 79 -5.216 -11.026 -1.939 561 HH21 ARG 79 1HH1 ARG 79 -4.319 -11.719 -5.213 562 HH22 ARG 79 2HH1 ARG 79 -5.612 -11.665 -4.063 563 H PHE 80 H PHE 80 1.864 -6.637 -2.290 564 HA PHE 80 HA PHE 80 1.036 -5.713 -5.020 565 HB2 PHE 80 1HB PHE 80 3.079 -4.443 -3.172 566 HB3 PHE 80 2HB PHE 80 2.912 -4.050 -4.884 567 HD1 PHE 80 HD1 PHE 80 0.959 -4.231 -1.695 568 HD2 PHE 80 HD2 PHE 80 1.336 -2.448 -5.584 569 HE1 PHE 80 HE1 PHE 80 -0.884 -2.661 -1.155 570 HE2 PHE 80 HE2 PHE 80 -0.502 -0.881 -5.045 571 HZ PHE 80 HZ PHE 80 -1.616 -0.986 -2.830 572 H LYS 81 H LYS 81 2.573 -6.086 -6.646 573 HA LYS 81 HA LYS 81 4.547 -8.249 -6.013 574 HB2 LYS 81 1HB LYS 81 2.739 -8.820 -7.630 575 HB3 LYS 81 2HB LYS 81 3.298 -7.514 -8.678 576 HG2 LYS 81 1HG LYS 81 5.495 -8.581 -8.883 577 HG3 LYS 81 2HG LYS 81 4.999 -9.856 -7.770 578 HD2 LYS 81 1HD LYS 81 3.214 -10.529 -9.345 579 HD3 LYS 81 2HD LYS 81 3.734 -9.271 -10.466 580 HE2 LYS 81 1HE LYS 81 5.440 -11.593 -9.509 581 HE3 LYS 81 2HE LYS 81 4.680 -11.464 -11.095 582 HZ1 LYS 81 3HZ LYS 81 6.786 -10.673 -11.494 583 HZ2 LYS 81 1HZ LYS 81 6.919 -9.915 -9.983 584 HZ3 LYS 81 2HZ LYS 81 5.941 -9.230 -11.191 585 H PHE 82 H PHE 82 6.613 -7.747 -6.130 586 HA PHE 82 HA PHE 82 7.479 -5.381 -7.767 587 HB2 PHE 82 1HB PHE 82 8.432 -6.304 -5.045 588 HB3 PHE 82 2HB PHE 82 9.294 -5.127 -6.033 589 HD1 PHE 82 HD2 PHE 82 7.822 -3.144 -6.980 590 HD2 PHE 82 HD1 PHE 82 6.789 -5.525 -3.556 591 HE1 PHE 82 HE2 PHE 82 6.310 -1.347 -6.184 592 HE2 PHE 82 HE1 PHE 82 5.278 -3.728 -2.762 593 HZ PHE 82 HZ PHE 82 5.039 -1.638 -4.075 594 H GLU 83 H GLU 83 9.388 -5.593 -8.887 595 HA GLU 83 HA GLU 83 10.116 -8.243 -9.760 596 HB2 GLU 83 1HB GLU 83 10.304 -6.199 -11.194 597 HB3 GLU 83 2HB GLU 83 11.626 -5.634 -10.169 598 HG2 GLU 83 1HG GLU 83 12.932 -7.641 -10.709 599 HG3 GLU 83 2HG GLU 83 11.602 -8.260 -11.686 600 H VAL 84 H VAL 84 11.565 -5.892 -7.537 601 HA VAL 84 HA VAL 84 13.345 -8.069 -6.512 602 HB VAL 84 HB VAL 84 15.183 -6.442 -6.276 603 HG11 VAL 84 1HG1 VAL 84 14.183 -6.442 -9.131 604 HG12 VAL 84 2HG1 VAL 84 14.846 -7.880 -8.352 605 HG13 VAL 84 3HG1 VAL 84 15.856 -6.451 -8.571 606 HG21 VAL 84 3HG2 VAL 84 14.047 -4.344 -6.117 607 HG22 VAL 84 1HG2 VAL 84 13.203 -4.604 -7.645 608 HG23 VAL 84 2HG2 VAL 84 14.939 -4.289 -7.638 609 H SER 85 H SER 85 14.073 -7.698 -4.343 610 HA SER 85 HA SER 85 12.011 -6.853 -2.560 611 HB2 SER 85 1HB SER 85 13.532 -8.499 -1.758 612 HB3 SER 85 2HB SER 85 14.938 -7.525 -2.183 613 HG SER 85 HG SER 85 13.235 -7.380 0.004 614 H ALA 86 H ALA 86 15.050 -5.320 -3.562 615 HA ALA 86 HA ALA 86 15.289 -3.154 -1.900 616 HB1 ALA 86 3HB ALA 86 16.367 -1.977 -3.678 617 HB2 ALA 86 1HB ALA 86 15.412 -2.808 -4.906 618 HB3 ALA 86 2HB ALA 86 16.648 -3.685 -4.006 619 H GLU 87 H GLU 87 12.965 -3.455 -4.556 620 HA GLU 87 HA GLU 87 11.861 -0.812 -4.309 621 HB2 GLU 87 1HB GLU 87 10.725 -3.383 -5.450 622 HB3 GLU 87 2HB GLU 87 9.921 -1.818 -5.582 623 HG2 GLU 87 1HG GLU 87 11.849 -0.894 -6.769 624 HG3 GLU 87 2HG GLU 87 12.723 -2.413 -6.579 625 H LYS 88 H LYS 88 11.173 -3.889 -2.747 626 HA LYS 88 HA LYS 88 8.663 -3.229 -1.562 627 HB2 LYS 88 1HB LYS 88 9.652 -5.531 -1.625 628 HB3 LYS 88 2HB LYS 88 10.835 -5.025 -0.419 629 HG2 LYS 88 1HG LYS 88 9.032 -4.506 1.165 630 HG3 LYS 88 2HG LYS 88 7.827 -4.950 -0.042 631 HD2 LYS 88 1HD LYS 88 8.733 -7.252 -0.095 632 HD3 LYS 88 2HD LYS 88 9.918 -6.807 1.133 633 HE2 LYS 88 1HE LYS 88 6.906 -6.691 1.481 634 HE3 LYS 88 2HE LYS 88 7.964 -7.935 2.146 635 HZ1 LYS 88 3HZ LYS 88 8.178 -6.610 3.897 636 HZ2 LYS 88 1HZ LYS 88 7.441 -5.300 3.110 637 HZ3 LYS 88 2HZ LYS 88 9.107 -5.578 2.918 638 H LEU 89 H LEU 89 11.993 -2.879 -0.340 639 HA LEU 89 HA LEU 89 11.271 -1.778 2.198 640 HB2 LEU 89 1HB LEU 89 13.784 -1.697 0.517 641 HB3 LEU 89 2HB LEU 89 13.691 -0.784 2.017 642 HG LEU 89 HG LEU 89 14.679 -3.101 2.262 643 HD11 LEU 89 1HD1 LEU 89 13.771 -3.373 4.380 644 HD12 LEU 89 2HD1 LEU 89 12.128 -3.045 3.856 645 HD13 LEU 89 3HD1 LEU 89 13.270 -1.719 4.057 646 HD21 LEU 89 3HD2 LEU 89 13.020 -4.100 0.584 647 HD22 LEU 89 1HD2 LEU 89 11.829 -4.048 1.883 648 HD23 LEU 89 2HD2 LEU 89 13.280 -5.032 2.058 649 H ILE 90 H ILE 90 12.030 -0.267 -0.905 650 HA ILE 90 HA ILE 90 11.911 2.447 0.017 651 HB ILE 90 HB ILE 90 11.481 1.232 -2.735 652 HG12 ILE 90 1HG1 ILE 90 13.826 2.797 -1.615 653 HG13 ILE 90 2HG1 ILE 90 13.749 1.035 -1.604 654 HG21 ILE 90 1HG2 ILE 90 10.380 3.342 -2.812 655 HG22 ILE 90 2HG2 ILE 90 11.990 3.648 -3.462 656 HG23 ILE 90 3HG2 ILE 90 11.607 4.106 -1.803 657 HD11 ILE 90 3HD1 ILE 90 13.391 2.641 -4.140 658 HD12 ILE 90 1HD1 ILE 90 13.730 0.918 -3.986 659 HD13 ILE 90 2HD1 ILE 90 14.975 2.101 -3.587 660 H PHE 91 H PHE 91 9.482 0.314 -1.458 661 HA PHE 91 HA PHE 91 7.360 2.211 -1.618 662 HB2 PHE 91 1HB PHE 91 7.358 -0.006 -2.755 663 HB3 PHE 91 2HB PHE 91 7.172 -0.793 -1.189 664 HD1 PHE 91 HD1 PHE 91 5.548 1.409 -3.682 665 HD2 PHE 91 HD2 PHE 91 5.062 -0.756 -0.004 666 HE1 PHE 91 HE1 PHE 91 3.093 1.742 -3.809 667 HE2 PHE 91 HE2 PHE 91 2.610 -0.422 -0.132 668 HZ PHE 91 HZ PHE 91 1.624 0.826 -2.034 669 H GLU 92 H GLU 92 8.208 -0.123 0.926 670 HA GLU 92 HA GLU 92 6.031 0.503 2.663 671 HB2 GLU 92 1HB GLU 92 8.610 -0.975 2.850 672 HB3 GLU 92 2HB GLU 92 8.002 -0.370 4.391 673 HG2 GLU 92 1HG GLU 92 7.120 -2.599 4.040 674 HG3 GLU 92 2HG GLU 92 5.799 -1.445 3.898 675 H LEU 93 H LEU 93 9.281 1.862 2.373 676 HA LEU 93 HA LEU 93 9.237 3.438 4.742 677 HB2 LEU 93 1HB LEU 93 11.287 3.076 3.461 678 HB3 LEU 93 2HB LEU 93 10.617 3.944 2.082 679 HG LEU 93 HG LEU 93 10.519 5.484 4.633 680 HD11 LEU 93 1HD1 LEU 93 13.149 4.640 3.405 681 HD12 LEU 93 2HD1 LEU 93 12.637 4.486 5.085 682 HD13 LEU 93 3HD1 LEU 93 12.979 6.079 4.410 683 HD21 LEU 93 3HD2 LEU 93 10.057 6.243 2.185 684 HD22 LEU 93 1HD2 LEU 93 11.810 6.277 2.015 685 HD23 LEU 93 2HD2 LEU 93 11.019 7.305 3.209 686 H LYS 94 H LYS 94 8.246 4.214 1.417 687 HA LYS 94 HA LYS 94 7.477 6.924 1.951 688 HB2 LYS 94 1HB LYS 94 6.608 4.975 -0.208 689 HB3 LYS 94 2HB LYS 94 6.151 6.677 -0.188 690 HG2 LYS 94 1HG LYS 94 8.535 7.324 -0.206 691 HG3 LYS 94 2HG LYS 94 8.995 5.622 -0.234 692 HD2 LYS 94 1HD LYS 94 7.816 5.330 -2.385 693 HD3 LYS 94 2HD LYS 94 7.345 7.028 -2.358 694 HE2 LYS 94 1HE LYS 94 9.707 7.707 -2.412 695 HE3 LYS 94 2HE LYS 94 10.207 6.016 -2.386 696 HZ1 LYS 94 3HZ LYS 94 8.334 6.871 -4.469 697 HZ2 LYS 94 1HZ LYS 94 9.549 5.689 -4.526 698 HZ3 LYS 94 2HZ LYS 94 9.961 7.333 -4.625 699 H THR 95 H THR 95 5.631 3.881 1.901 700 HA THR 95 HA THR 95 3.072 5.088 2.427 701 HB THR 95 HB THR 95 2.460 2.732 3.175 702 HG1 THR 95 HG1 THR 95 4.456 1.412 2.233 703 HG21 THR 95 3HG2 THR 95 2.640 1.802 0.921 704 HG22 THR 95 1HG2 THR 95 3.886 2.984 0.515 705 HG23 THR 95 2HG2 THR 95 2.235 3.517 0.833 706 H ARG 96 H ARG 96 5.615 3.779 4.502 707 HA ARG 96 HA ARG 96 4.163 3.925 6.958 708 HB2 ARG 96 1HB ARG 96 7.128 4.004 6.322 709 HB3 ARG 96 2HB ARG 96 6.516 4.025 7.975 710 HG2 ARG 96 1HG ARG 96 5.543 1.901 6.062 711 HG3 ARG 96 2HG ARG 96 7.117 1.713 6.837 712 HD2 ARG 96 1HD ARG 96 6.026 2.032 9.056 713 HD3 ARG 96 2HD ARG 96 4.459 2.104 8.261 714 HE ARG 96 HE ARG 96 6.132 -0.302 8.604 715 HH11 ARG 96 1HH2 ARG 96 3.391 1.245 7.139 716 HH12 ARG 96 2HH2 ARG 96 2.590 -0.249 6.790 717 HH21 ARG 96 1HH1 ARG 96 5.085 -2.230 8.153 718 HH22 ARG 96 2HH1 ARG 96 3.545 -2.208 7.361 719 H ALA 97 H ALA 97 6.225 6.241 5.268 720 HA ALA 97 HA ALA 97 6.224 8.260 7.294 721 HB1 ALA 97 3HB ALA 97 6.780 9.810 5.404 722 HB2 ALA 97 1HB ALA 97 6.443 8.501 4.270 723 HB3 ALA 97 2HB ALA 97 7.783 8.360 5.409 724 H LEU 98 H LEU 98 4.157 7.774 4.439 725 HA LEU 98 HA LEU 98 2.432 10.011 4.926 726 HB2 LEU 98 1HB LEU 98 1.979 7.402 3.429 727 HB3 LEU 98 2HB LEU 98 0.849 8.751 3.404 728 HG LEU 98 HG LEU 98 3.761 9.014 2.601 729 HD11 LEU 98 1HD1 LEU 98 1.363 8.735 0.770 730 HD12 LEU 98 2HD1 LEU 98 2.473 7.415 1.135 731 HD13 LEU 98 3HD1 LEU 98 3.056 8.852 0.294 732 HD21 LEU 98 3HD2 LEU 98 1.334 10.811 2.531 733 HD22 LEU 98 1HD2 LEU 98 2.608 11.023 1.333 734 HD23 LEU 98 2HD2 LEU 98 2.979 11.181 3.041 735 H ALA 99 H ALA 99 2.277 6.597 5.819 736 HA ALA 99 HA ALA 99 -0.292 6.678 7.079 737 HB1 ALA 99 3HB ALA 99 1.028 4.604 6.398 738 HB2 ALA 99 1HB ALA 99 0.284 4.530 7.995 739 HB3 ALA 99 2HB ALA 99 2.011 4.855 7.842 740 H ARG 100 H ARG 100 2.991 7.250 8.274 741 HA ARG 100 HA ARG 100 2.016 7.738 11.020 742 HB2 ARG 100 1HB ARG 100 4.794 8.021 9.811 743 HB3 ARG 100 2HB ARG 100 4.407 8.129 11.527 744 HG2 ARG 100 1HG ARG 100 3.643 5.682 9.927 745 HG3 ARG 100 2HG ARG 100 5.263 5.845 10.605 746 HD2 ARG 100 1HD ARG 100 4.237 6.223 12.853 747 HD3 ARG 100 2HD ARG 100 2.652 5.914 12.157 748 HE ARG 100 HE ARG 100 4.755 3.906 12.642 749 HH11 ARG 100 1HH2 ARG 100 1.725 4.761 11.183 750 HH12 ARG 100 2HH2 ARG 100 1.203 3.117 11.030 751 HH21 ARG 100 1HH1 ARG 100 4.068 1.779 12.447 752 HH22 ARG 100 2HH1 ARG 100 2.524 1.436 11.741 753 H LEU 101 H LEU 101 2.204 9.433 8.183 754 HA LEU 101 HA LEU 101 2.018 11.687 7.632 755 HB2 LEU 101 1HB LEU 101 1.121 11.868 10.522 756 HB3 LEU 101 2HB LEU 101 0.923 13.136 9.322 757 HG LEU 101 HG LEU 101 -0.170 10.331 8.954 758 HD11 LEU 101 1HD1 LEU 101 -1.187 11.427 10.941 759 HD12 LEU 101 2HD1 LEU 101 -2.348 11.232 9.628 760 HD13 LEU 101 3HD1 LEU 101 -1.621 12.809 9.935 761 HD21 LEU 101 3HD2 LEU 101 -0.101 11.352 6.835 762 HD22 LEU 101 1HD2 LEU 101 -0.419 12.960 7.479 763 HD23 LEU 101 2HD2 LEU 101 -1.716 11.773 7.385 764 H GLU 102 H GLU 102 3.571 13.081 7.297 765 HA GLU 102 HA GLU 102 6.005 13.074 8.806 766 HB2 GLU 102 1HB GLU 102 5.788 13.694 6.369 767 HB3 GLU 102 2HB GLU 102 5.050 15.213 6.879 768 HG2 GLU 102 1HG GLU 102 7.398 15.643 6.537 769 HG3 GLU 102 2HG GLU 102 7.115 15.646 8.276 770 H HIS 103 H HIS 103 6.678 14.320 10.439 771 HA HIS 103 HA HIS 103 5.162 16.758 11.198 772 HB2 HIS 103 1HB HIS 103 4.200 14.745 12.418 773 HB3 HIS 103 2HB HIS 103 5.762 14.586 13.223 774 HD1 HIS 103 HD1 HIS 103 6.497 16.578 14.798 775 HD2 HIS 103 HD2 HIS 103 2.598 16.862 13.349 776 HE1 HIS 103 HE1 HIS 103 5.339 18.345 16.197 777 H HIS 104 H HIS 104 6.489 18.310 11.901 778 HA HIS 104 HA HIS 104 8.897 17.908 13.397 779 HB2 HIS 104 1HB HIS 104 10.519 18.632 11.639 780 HB3 HIS 104 2HB HIS 104 9.808 17.054 11.314 781 HD1 HIS 104 HD1 HIS 104 7.104 19.105 10.578 782 HD2 HIS 104 HD2 HIS 104 10.727 18.472 8.615 783 HE1 HIS 104 HE1 HIS 104 6.751 19.821 8.175 784 H HIS 105 H HIS 105 7.658 19.539 14.512 785 HA HIS 105 HA HIS 105 6.884 21.719 14.973 786 HB2 HIS 105 1HB HIS 105 9.706 22.170 13.975 787 HB3 HIS 105 2HB HIS 105 8.765 23.348 14.892 788 HD1 HIS 105 HD1 HIS 105 7.900 22.457 17.322 789 HD2 HIS 105 HD2 HIS 105 11.016 20.311 15.571 790 HE1 HIS 105 HE1 HIS 105 8.945 21.075 19.169 791 H HIS 106 H HIS 106 5.246 22.016 13.475 792 HA HIS 106 HA HIS 106 5.620 22.803 10.748 793 HB2 HIS 106 1HB HIS 106 3.254 23.438 10.823 794 HB3 HIS 106 2HB HIS 106 3.477 21.917 11.685 795 HD1 HIS 106 HD1 HIS 106 3.696 22.178 14.396 796 HD2 HIS 106 HD2 HIS 106 2.078 25.432 12.352 797 HE1 HIS 106 HE1 HIS 106 2.516 23.598 16.130 798 H HIS 107 H HIS 107 5.105 24.660 13.739 799 HA HIS 107 HA HIS 107 5.262 27.226 12.354 800 HB2 HIS 107 1HB HIS 107 3.896 27.099 14.350 801 HB3 HIS 107 2HB HIS 107 5.255 26.498 15.301 802 HD1 HIS 107 HD1 HIS 107 7.058 28.214 16.030 803 HD2 HIS 107 HD2 HIS 107 3.995 29.894 13.756 804 HE1 HIS 107 HE1 HIS 107 7.323 30.726 16.214 805 H HIS 108 H HIS 108 7.016 28.371 11.961 806 HA HIS 108 HA HIS 108 9.260 28.963 11.772 807 HB2 HIS 108 1HB HIS 108 8.776 29.576 14.166 808 HB3 HIS 108 2HB HIS 108 9.432 28.008 14.642 809 HD1 HIS 108 HD1 HIS 108 11.991 27.586 14.120 810 HD2 HIS 108 HD2 HIS 108 10.706 31.498 13.468 811 HE1 HIS 108 HE1 HIS 108 14.081 28.999 13.898 Start of MODEL 8 1 H1 MET 1 1H MET 1 -22.842 -7.128 -28.560 2 H2 MET 1 2H MET 1 -21.277 -7.387 -27.951 3 H3 MET 1 3H MET 1 -22.633 -7.676 -26.969 4 HA MET 1 HA MET 1 -22.682 -9.767 -27.631 5 HB2 MET 1 1HB MET 1 -22.895 -8.536 -30.398 6 HB3 MET 1 2HB MET 1 -23.206 -10.231 -30.030 7 HG2 MET 1 1HG MET 1 -24.671 -7.905 -28.756 8 HG3 MET 1 2HG MET 1 -25.295 -8.852 -30.100 9 HE1 MET 1 3HE MET 1 -25.790 -11.079 -30.196 10 HE2 MET 1 1HE MET 1 -26.244 -12.152 -28.869 11 HE3 MET 1 2HE MET 1 -24.557 -12.003 -29.345 12 H SER 2 H SER 2 -21.353 -11.472 -28.328 13 HA SER 2 HA SER 2 -18.910 -10.907 -29.863 14 HB2 SER 2 1HB SER 2 -17.443 -11.807 -28.019 15 HB3 SER 2 2HB SER 2 -18.127 -10.218 -27.695 16 HG SER 2 HG SER 2 -18.562 -12.639 -26.456 17 H ASN 3 H ASN 3 -17.667 -12.886 -30.258 18 HA ASN 3 HA ASN 3 -19.434 -15.307 -30.292 19 HB2 ASN 3 1HB ASN 3 -18.091 -16.048 -32.192 20 HB3 ASN 3 2HB ASN 3 -18.687 -14.419 -32.496 21 HD21 ASN 3 2HD2 ASN 3 -16.668 -14.674 -34.066 22 HD22 ASN 3 1HD2 ASN 3 -15.186 -14.124 -33.446 23 H GLN 4 H GLN 4 -17.280 -14.119 -28.296 24 HA GLN 4 HA GLN 4 -15.249 -16.184 -28.145 25 HB2 GLN 4 1HB GLN 4 -16.169 -14.073 -26.163 26 HB3 GLN 4 2HB GLN 4 -14.803 -15.155 -25.878 27 HG2 GLN 4 1HG GLN 4 -13.688 -14.322 -27.902 28 HG3 GLN 4 2HG GLN 4 -15.062 -13.270 -28.241 29 HE21 GLN 4 2HE2 GLN 4 -15.280 -12.825 -25.166 30 HE22 GLN 4 1HE2 GLN 4 -14.082 -11.663 -24.851 31 H THR 5 H THR 5 -15.475 -18.157 -27.344 32 HA THR 5 HA THR 5 -17.952 -18.902 -25.906 33 HB THR 5 HB THR 5 -17.111 -21.227 -26.218 34 HG1 THR 5 HG1 THR 5 -14.965 -21.110 -26.284 35 HG21 THR 5 3HG2 THR 5 -17.470 -21.304 -28.596 36 HG22 THR 5 1HG2 THR 5 -16.952 -19.629 -28.783 37 HG23 THR 5 2HG2 THR 5 -18.467 -19.997 -27.959 38 H CYS 6 H CYS 6 -18.032 -19.367 -23.799 39 HA CYS 6 HA CYS 6 -15.920 -18.611 -22.023 40 HB2 CYS 6 1HB CYS 6 -18.576 -18.942 -21.700 41 HB3 CYS 6 2HB CYS 6 -18.051 -20.498 -21.058 42 HG CYS 6 HG CYS 6 -16.539 -18.070 -19.914 43 H VAL 7 H VAL 7 -17.068 -21.747 -23.198 44 HA VAL 7 HA VAL 7 -15.050 -23.203 -21.622 45 HB VAL 7 HB VAL 7 -16.020 -25.196 -22.930 46 HG11 VAL 7 1HG1 VAL 7 -16.696 -24.775 -20.653 47 HG12 VAL 7 2HG1 VAL 7 -18.155 -25.115 -21.584 48 HG13 VAL 7 3HG1 VAL 7 -17.749 -23.453 -21.154 49 HG21 VAL 7 3HG2 VAL 7 -16.951 -23.699 -24.769 50 HG22 VAL 7 1HG2 VAL 7 -18.177 -23.176 -23.613 51 HG23 VAL 7 2HG2 VAL 7 -18.092 -24.867 -24.105 52 H GLU 8 H GLU 8 -13.132 -23.836 -22.347 53 HA GLU 8 HA GLU 8 -12.553 -24.224 -25.184 54 HB2 GLU 8 1HB GLU 8 -12.367 -21.737 -24.910 55 HB3 GLU 8 2HB GLU 8 -11.110 -22.004 -23.700 56 HG2 GLU 8 1HG GLU 8 -9.739 -23.193 -25.353 57 HG3 GLU 8 2HG GLU 8 -11.004 -22.993 -26.564 58 H ASN 9 H ASN 9 -10.455 -23.198 -22.511 59 HA ASN 9 HA ASN 9 -8.678 -24.263 -21.434 60 HB2 ASN 9 1HB ASN 9 -10.599 -25.724 -20.708 61 HB3 ASN 9 2HB ASN 9 -10.195 -26.811 -22.037 62 HD21 ASN 9 2HD2 ASN 9 -8.500 -25.137 -19.317 63 HD22 ASN 9 1HD2 ASN 9 -7.496 -26.454 -18.943 64 H GLU 10 H GLU 10 -8.449 -23.727 -24.226 65 HA GLU 10 HA GLU 10 -6.935 -26.076 -25.293 66 HB2 GLU 10 1HB GLU 10 -8.662 -25.011 -26.753 67 HB3 GLU 10 2HB GLU 10 -7.754 -23.498 -26.682 68 HG2 GLU 10 1HG GLU 10 -5.804 -24.587 -27.689 69 HG3 GLU 10 2HG GLU 10 -6.652 -26.133 -27.700 70 H VAL 11 H VAL 11 -6.572 -22.882 -23.987 71 HA VAL 11 HA VAL 11 -3.795 -22.598 -24.975 72 HB VAL 11 HB VAL 11 -3.851 -20.428 -23.799 73 HG11 VAL 11 1HG1 VAL 11 -5.678 -19.396 -25.118 74 HG12 VAL 11 2HG1 VAL 11 -6.351 -20.998 -25.424 75 HG13 VAL 11 3HG1 VAL 11 -4.769 -20.566 -26.074 76 HG21 VAL 11 3HG2 VAL 11 -6.611 -21.335 -22.905 77 HG22 VAL 11 1HG2 VAL 11 -5.980 -19.699 -22.716 78 HG23 VAL 11 2HG2 VAL 11 -5.220 -21.041 -21.860 79 H CYS 12 H CYS 12 -5.358 -24.179 -22.476 80 HA CYS 12 HA CYS 12 -3.322 -23.733 -20.405 81 HB2 CYS 12 1HB CYS 12 -4.633 -25.190 -19.040 82 HB3 CYS 12 2HB CYS 12 -5.785 -24.216 -19.950 83 HG CYS 12 HG CYS 12 -5.828 -26.379 -21.662 84 H GLU 13 H GLU 13 -1.597 -24.979 -20.033 85 HA GLU 13 HA GLU 13 -1.376 -27.722 -21.036 86 HB2 GLU 13 1HB GLU 13 0.622 -27.284 -22.409 87 HB3 GLU 13 2HB GLU 13 -0.770 -26.408 -23.041 88 HG2 GLU 13 1HG GLU 13 0.000 -24.373 -21.807 89 HG3 GLU 13 2HG GLU 13 1.441 -25.258 -21.306 90 H ALA 14 H ALA 14 -0.171 -24.966 -19.293 91 HA ALA 14 HA ALA 14 2.110 -26.397 -18.111 92 HB1 ALA 14 3HB ALA 14 2.034 -23.884 -18.583 93 HB2 ALA 14 1HB ALA 14 2.568 -24.340 -16.967 94 HB3 ALA 14 2HB ALA 14 0.925 -23.752 -17.218 95 H CYS 15 H CYS 15 -1.205 -26.313 -17.636 96 HA CYS 15 HA CYS 15 -0.912 -27.270 -14.803 97 HB2 CYS 15 1HB CYS 15 -3.257 -25.725 -15.954 98 HB3 CYS 15 2HB CYS 15 -3.076 -26.280 -14.290 99 HG CYS 15 HG CYS 15 -0.870 -24.377 -15.342 100 H GLY 16 H GLY 16 -1.122 -29.404 -14.975 101 HA2 GLY 16 1HA GLY 16 -2.973 -30.643 -16.914 102 HA3 GLY 16 2HA GLY 16 -1.838 -31.488 -15.862 103 H CYS 17 H CYS 17 -2.388 -31.767 -13.626 104 HA CYS 17 HA CYS 17 -5.130 -32.482 -13.194 105 HB2 CYS 17 1HB CYS 17 -2.831 -33.238 -12.019 106 HB3 CYS 17 2HB CYS 17 -3.328 -32.033 -10.832 107 HG CYS 17 HG CYS 17 -5.319 -34.295 -11.663 108 H ALA 18 H ALA 18 -3.182 -29.709 -12.217 109 HA ALA 18 HA ALA 18 -3.756 -27.662 -11.250 110 HB1 ALA 18 3HB ALA 18 -5.035 -27.553 -13.390 111 HB2 ALA 18 1HB ALA 18 -5.792 -26.644 -12.084 112 HB3 ALA 18 2HB ALA 18 -6.434 -28.220 -12.547 113 H GLY 19 H GLY 19 -4.102 -30.034 -9.663 114 HA2 GLY 19 1HA GLY 19 -6.596 -29.767 -8.153 115 HA3 GLY 19 2HA GLY 19 -5.255 -30.848 -7.773 116 H GLU 20 H GLU 20 -3.736 -28.046 -8.261 117 HA GLU 20 HA GLU 20 -3.325 -27.555 -5.432 118 HB2 GLU 20 1HB GLU 20 -1.524 -27.240 -7.108 119 HB3 GLU 20 2HB GLU 20 -2.432 -25.908 -7.824 120 HG2 GLU 20 1HG GLU 20 -2.323 -24.668 -5.705 121 HG3 GLU 20 2HG GLU 20 -1.470 -26.013 -4.947 122 H ILE 21 H ILE 21 -4.467 -26.286 -4.163 123 HA ILE 21 HA ILE 21 -6.826 -24.927 -4.927 124 HB ILE 21 HB ILE 21 -5.074 -24.294 -2.524 125 HG12 ILE 21 1HG1 ILE 21 -5.516 -26.690 -2.552 126 HG13 ILE 21 2HG1 ILE 21 -6.544 -25.941 -1.333 127 HG21 ILE 21 1HG2 ILE 21 -6.806 -22.641 -2.857 128 HG22 ILE 21 2HG2 ILE 21 -7.298 -23.685 -1.522 129 HG23 ILE 21 3HG2 ILE 21 -8.015 -23.896 -3.120 130 HD11 ILE 21 3HD1 ILE 21 -8.314 -25.804 -3.262 131 HD12 ILE 21 1HD1 ILE 21 -8.041 -27.348 -2.458 132 HD13 ILE 21 2HD1 ILE 21 -7.311 -27.031 -4.030 133 H GLY 22 H GLY 22 -4.166 -23.108 -3.462 134 HA2 GLY 22 1HA GLY 22 -3.523 -20.880 -3.846 135 HA3 GLY 22 2HA GLY 22 -3.223 -21.489 -5.474 136 H PHE 23 H PHE 23 -5.525 -19.870 -3.395 137 HA PHE 23 HA PHE 23 -7.654 -19.530 -5.253 138 HB2 PHE 23 1HB PHE 23 -7.967 -19.086 -2.879 139 HB3 PHE 23 2HB PHE 23 -6.768 -17.794 -2.927 140 HD1 PHE 23 HD1 PHE 23 -9.831 -18.828 -4.853 141 HD2 PHE 23 HD2 PHE 23 -7.624 -15.620 -3.034 142 HE1 PHE 23 HE1 PHE 23 -11.595 -17.227 -5.530 143 HE2 PHE 23 HE2 PHE 23 -9.389 -14.020 -3.710 144 HZ PHE 23 HZ PHE 23 -11.376 -14.823 -4.960 145 H ILE 24 H ILE 24 -4.893 -17.399 -4.473 146 HA ILE 24 HA ILE 24 -4.676 -16.453 -7.171 147 HB ILE 24 HB ILE 24 -6.791 -15.282 -6.300 148 HG12 ILE 24 1HG1 ILE 24 -6.031 -13.069 -7.265 149 HG13 ILE 24 2HG1 ILE 24 -4.393 -13.718 -7.294 150 HG21 ILE 24 1HG2 ILE 24 -5.656 -14.836 -4.033 151 HG22 ILE 24 2HG2 ILE 24 -6.596 -13.525 -4.744 152 HG23 ILE 24 3HG2 ILE 24 -4.835 -13.506 -4.850 153 HD11 ILE 24 3HD1 ILE 24 -6.078 -13.924 -9.392 154 HD12 ILE 24 1HD1 ILE 24 -6.498 -15.419 -8.563 155 HD13 ILE 24 2HD1 ILE 24 -4.834 -15.119 -9.055 156 H ILE 25 H ILE 25 -2.641 -15.763 -7.443 157 HA ILE 25 HA ILE 25 -0.393 -15.397 -6.859 158 HB ILE 25 HB ILE 25 -1.844 -13.204 -5.353 159 HG12 ILE 25 1HG1 ILE 25 -0.411 -13.122 -8.027 160 HG13 ILE 25 2HG1 ILE 25 -2.143 -13.425 -7.882 161 HG21 ILE 25 1HG2 ILE 25 1.079 -13.672 -5.978 162 HG22 ILE 25 2HG2 ILE 25 0.343 -13.271 -4.427 163 HG23 ILE 25 3HG2 ILE 25 0.444 -12.051 -5.695 164 HD11 ILE 25 3HD1 ILE 25 -2.435 -11.274 -6.719 165 HD12 ILE 25 1HD1 ILE 25 -1.679 -11.027 -8.293 166 HD13 ILE 25 2HD1 ILE 25 -0.701 -10.972 -6.827 167 H ARG 26 H ARG 26 0.237 -17.173 -5.688 168 HA ARG 26 HA ARG 26 -0.414 -17.521 -2.871 169 HB2 ARG 26 1HB ARG 26 1.090 -19.459 -2.986 170 HB3 ARG 26 2HB ARG 26 -0.001 -19.454 -4.370 171 HG2 ARG 26 1HG ARG 26 1.797 -18.371 -5.731 172 HG3 ARG 26 2HG ARG 26 2.887 -18.512 -4.353 173 HD2 ARG 26 1HD ARG 26 1.493 -20.848 -5.692 174 HD3 ARG 26 2HD ARG 26 3.167 -20.380 -5.986 175 HE ARG 26 HE ARG 26 2.141 -21.736 -3.594 176 HH11 ARG 26 1HH2 ARG 26 4.656 -19.824 -5.030 177 HH12 ARG 26 2HH2 ARG 26 5.851 -20.323 -3.878 178 HH21 ARG 26 1HH1 ARG 26 3.696 -22.378 -2.110 179 HH22 ARG 26 2HH1 ARG 26 5.310 -21.762 -2.233 180 H GLU 27 H GLU 27 1.118 -17.553 -1.151 181 HA GLU 27 HA GLU 27 2.629 -15.253 -0.784 182 HB2 GLU 27 1HB GLU 27 1.956 -16.923 0.996 183 HB3 GLU 27 2HB GLU 27 3.307 -17.931 0.482 184 HG2 GLU 27 1HG GLU 27 3.689 -15.029 1.256 185 HG3 GLU 27 2HG GLU 27 3.734 -16.320 2.452 186 H GLY 28 H GLY 28 4.779 -14.711 -0.938 187 HA2 GLY 28 1HA GLY 28 7.066 -14.966 -1.528 188 HA3 GLY 28 2HA GLY 28 6.714 -16.578 -2.146 189 H ASP 29 H ASP 29 7.844 -16.112 -4.052 190 HA ASP 29 HA ASP 29 8.095 -15.472 -6.271 191 HB2 ASP 29 1HB ASP 29 5.113 -15.093 -5.947 192 HB3 ASP 29 2HB ASP 29 5.948 -14.917 -7.488 193 H ASP 30 H ASP 30 8.555 -13.525 -4.205 194 HA ASP 30 HA ASP 30 9.080 -11.265 -4.013 195 HB2 ASP 30 1HB ASP 30 9.904 -11.747 -6.391 196 HB3 ASP 30 2HB ASP 30 8.406 -10.996 -6.945 197 H VAL 31 H VAL 31 6.785 -11.680 -2.957 198 HA VAL 31 HA VAL 31 4.874 -9.664 -4.104 199 HB VAL 31 HB VAL 31 4.359 -12.176 -2.485 200 HG11 VAL 31 1HG1 VAL 31 2.875 -10.577 -1.543 201 HG12 VAL 31 2HG1 VAL 31 1.913 -11.397 -2.774 202 HG13 VAL 31 3HG1 VAL 31 2.591 -9.802 -3.103 203 HG21 VAL 31 3HG2 VAL 31 4.664 -12.260 -5.020 204 HG22 VAL 31 1HG2 VAL 31 3.203 -11.279 -5.135 205 HG23 VAL 31 2HG2 VAL 31 3.129 -12.887 -4.416 206 H ALA 32 H ALA 32 4.375 -7.989 -2.851 207 HA ALA 32 HA ALA 32 5.610 -7.816 -0.149 208 HB1 ALA 32 3HB ALA 32 4.910 -5.336 -0.457 209 HB2 ALA 32 1HB ALA 32 4.616 -5.776 -2.142 210 HB3 ALA 32 2HB ALA 32 6.229 -5.947 -1.454 211 H GLU 33 H GLU 33 4.406 -7.111 1.625 212 HA GLU 33 HA GLU 33 1.454 -7.601 1.416 213 HB2 GLU 33 1HB GLU 33 3.350 -7.887 3.776 214 HB3 GLU 33 2HB GLU 33 1.603 -8.103 3.855 215 HG2 GLU 33 1HG GLU 33 2.357 -10.302 3.546 216 HG3 GLU 33 2HG GLU 33 1.954 -9.813 1.903 217 H VAL 34 H VAL 34 0.266 -5.851 1.541 218 HA VAL 34 HA VAL 34 1.205 -3.536 3.206 219 HB VAL 34 HB VAL 34 -0.176 -3.513 0.508 220 HG11 VAL 34 1HG1 VAL 34 -0.016 -0.983 0.854 221 HG12 VAL 34 2HG1 VAL 34 0.256 -1.335 2.560 222 HG13 VAL 34 3HG1 VAL 34 -1.258 -1.812 1.790 223 HG21 VAL 34 3HG2 VAL 34 2.432 -2.314 1.493 224 HG22 VAL 34 1HG2 VAL 34 1.808 -2.220 -0.153 225 HG23 VAL 34 2HG2 VAL 34 2.297 -3.777 0.516 226 H SER 35 H SER 35 -0.207 -2.809 4.636 227 HA SER 35 HA SER 35 -3.099 -3.247 4.350 228 HB2 SER 35 1HB SER 35 -1.430 -4.603 6.467 229 HB3 SER 35 2HB SER 35 -3.138 -4.253 6.726 230 HG SER 35 HG SER 35 -2.536 -6.361 5.751 231 H LEU 36 H LEU 36 -4.232 -1.693 5.387 232 HA LEU 36 HA LEU 36 -2.680 0.329 6.963 233 HB2 LEU 36 1HB LEU 36 -5.122 0.510 5.191 234 HB3 LEU 36 2HB LEU 36 -4.781 1.762 6.384 235 HG LEU 36 HG LEU 36 -2.429 1.887 5.358 236 HD11 LEU 36 1HD1 LEU 36 -2.316 -0.111 4.075 237 HD12 LEU 36 2HD1 LEU 36 -2.473 1.182 2.896 238 HD13 LEU 36 3HD1 LEU 36 -3.870 0.195 3.305 239 HD21 LEU 36 3HD2 LEU 36 -3.912 3.691 4.955 240 HD22 LEU 36 1HD2 LEU 36 -4.932 2.719 3.893 241 HD23 LEU 36 2HD2 LEU 36 -3.324 3.213 3.362 242 H PHE 37 H PHE 37 -3.607 1.221 8.806 243 HA PHE 37 HA PHE 37 -5.811 -0.378 10.066 244 HB2 PHE 37 1HB PHE 37 -3.271 0.643 11.385 245 HB3 PHE 37 2HB PHE 37 -4.608 -0.154 12.215 246 HD1 PHE 37 HD1 PHE 37 -5.278 -2.509 11.448 247 HD2 PHE 37 HD2 PHE 37 -1.568 -0.642 10.351 248 HE1 PHE 37 HE1 PHE 37 -4.328 -4.729 10.883 249 HE2 PHE 37 HE2 PHE 37 -0.618 -2.863 9.785 250 HZ PHE 37 HZ PHE 37 -1.998 -4.905 10.051 251 H GLY 38 H GLY 38 -7.155 0.745 11.431 252 HA2 GLY 38 1HA GLY 38 -8.114 2.609 12.516 253 HA3 GLY 38 2HA GLY 38 -6.778 3.608 11.944 254 H SER 39 H SER 39 -9.020 4.834 11.720 255 HA SER 39 HA SER 39 -10.536 5.870 10.296 256 HB2 SER 39 1HB SER 39 -8.147 5.835 9.030 257 HB3 SER 39 2HB SER 39 -9.112 4.957 7.848 258 HG SER 39 HG SER 39 -9.144 7.592 8.532 259 H ASP 40 H ASP 40 -12.187 5.492 8.677 260 HA ASP 40 HA ASP 40 -13.249 2.782 8.852 261 HB2 ASP 40 1HB ASP 40 -15.206 3.717 7.722 262 HB3 ASP 40 2HB ASP 40 -14.700 4.791 9.024 263 H LYS 41 H LYS 41 -14.305 1.909 6.780 264 HA LYS 41 HA LYS 41 -12.280 1.082 5.002 265 HB2 LYS 41 1HB LYS 41 -14.346 -0.187 5.348 266 HB3 LYS 41 2HB LYS 41 -15.292 1.108 4.611 267 HG2 LYS 41 1HG LYS 41 -14.895 -0.689 2.984 268 HG3 LYS 41 2HG LYS 41 -14.052 0.768 2.479 269 HD2 LYS 41 1HD LYS 41 -11.942 -0.072 3.117 270 HD3 LYS 41 2HD LYS 41 -12.647 -1.311 4.158 271 HE2 LYS 41 1HE LYS 41 -12.883 -1.219 1.141 272 HE3 LYS 41 2HE LYS 41 -11.760 -2.241 2.033 273 HZ1 LYS 41 3HZ LYS 41 -13.996 -2.885 3.259 274 HZ2 LYS 41 1HZ LYS 41 -13.481 -3.679 1.851 275 HZ3 LYS 41 2HZ LYS 41 -14.655 -2.456 1.753 276 H ALA 42 H ALA 42 -14.817 3.530 4.584 277 HA ALA 42 HA ALA 42 -14.289 4.240 1.899 278 HB1 ALA 42 3HB ALA 42 -15.221 6.022 4.179 279 HB2 ALA 42 1HB ALA 42 -16.261 5.045 3.140 280 HB3 ALA 42 2HB ALA 42 -15.363 6.403 2.462 281 H HIS 43 H HIS 43 -12.936 5.618 4.898 282 HA HIS 43 HA HIS 43 -11.217 7.504 3.565 283 HB2 HIS 43 1HB HIS 43 -11.879 7.716 5.953 284 HB3 HIS 43 2HB HIS 43 -10.921 6.283 6.331 285 HD1 HIS 43 HD1 HIS 43 -8.351 6.518 6.320 286 HD2 HIS 43 HD2 HIS 43 -10.336 10.042 5.307 287 HE1 HIS 43 HE1 HIS 43 -6.608 8.355 6.343 288 H LEU 44 H LEU 44 -10.813 4.167 4.653 289 HA LEU 44 HA LEU 44 -7.990 3.981 4.346 290 HB2 LEU 44 1HB LEU 44 -10.233 1.956 4.213 291 HB3 LEU 44 2HB LEU 44 -8.571 1.463 3.900 292 HG LEU 44 HG LEU 44 -9.191 3.054 6.388 293 HD11 LEU 44 1HD1 LEU 44 -10.767 1.343 6.711 294 HD12 LEU 44 2HD1 LEU 44 -9.333 0.688 7.491 295 HD13 LEU 44 3HD1 LEU 44 -9.785 0.139 5.876 296 HD21 LEU 44 3HD2 LEU 44 -7.165 2.143 7.172 297 HD22 LEU 44 1HD2 LEU 44 -6.827 2.360 5.457 298 HD23 LEU 44 2HD2 LEU 44 -7.245 0.767 6.076 299 H GLU 45 H GLU 45 -10.640 3.410 2.040 300 HA GLU 45 HA GLU 45 -9.017 2.518 -0.127 301 HB2 GLU 45 1HB GLU 45 -11.798 3.507 0.276 302 HB3 GLU 45 2HB GLU 45 -11.170 3.771 -1.351 303 HG2 GLU 45 1HG GLU 45 -12.312 1.576 -1.121 304 HG3 GLU 45 2HG GLU 45 -10.617 1.423 -1.567 305 H GLY 46 H GLY 46 -10.226 5.757 0.733 306 HA2 GLY 46 1HA GLY 46 -9.080 7.163 -1.468 307 HA3 GLY 46 2HA GLY 46 -9.491 7.883 0.090 308 H LYS 47 H LYS 47 -7.841 6.460 1.789 309 HA LYS 47 HA LYS 47 -5.337 7.821 1.461 310 HB2 LYS 47 1HB LYS 47 -6.378 7.097 3.666 311 HB3 LYS 47 2HB LYS 47 -5.904 5.446 3.268 312 HG2 LYS 47 1HG LYS 47 -4.051 6.137 4.514 313 HG3 LYS 47 2HG LYS 47 -3.513 6.534 2.885 314 HD2 LYS 47 1HD LYS 47 -4.228 8.861 3.181 315 HD3 LYS 47 2HD LYS 47 -4.864 8.481 4.780 316 HE2 LYS 47 1HE LYS 47 -2.617 7.881 5.552 317 HE3 LYS 47 2HE LYS 47 -1.965 8.208 3.947 318 HZ1 LYS 47 3HZ LYS 47 -2.238 10.011 5.984 319 HZ2 LYS 47 1HZ LYS 47 -3.516 10.388 4.934 320 HZ3 LYS 47 2HZ LYS 47 -1.919 10.375 4.355 321 H LEU 48 H LEU 48 -6.450 4.552 0.797 322 HA LEU 48 HA LEU 48 -3.978 3.269 0.332 323 HB2 LEU 48 1HB LEU 48 -6.231 2.145 0.427 324 HB3 LEU 48 2HB LEU 48 -6.579 2.802 -1.167 325 HG LEU 48 HG LEU 48 -4.454 1.647 -1.982 326 HD11 LEU 48 1HD1 LEU 48 -3.219 1.149 -0.045 327 HD12 LEU 48 2HD1 LEU 48 -3.915 -0.408 -0.465 328 HD13 LEU 48 3HD1 LEU 48 -4.629 0.551 0.825 329 HD21 LEU 48 3HD2 LEU 48 -5.590 -0.682 -1.864 330 HD22 LEU 48 1HD2 LEU 48 -6.486 0.630 -2.631 331 HD23 LEU 48 2HD2 LEU 48 -6.875 0.144 -0.983 332 H ALA 49 H ALA 49 -5.854 5.472 -1.608 333 HA ALA 49 HA ALA 49 -4.860 5.099 -4.190 334 HB1 ALA 49 3HB ALA 49 -5.397 7.416 -4.604 335 HB2 ALA 49 1HB ALA 49 -5.225 7.821 -2.897 336 HB3 ALA 49 2HB ALA 49 -6.570 6.815 -3.434 337 H GLU 50 H GLU 50 -3.213 6.418 -1.404 338 HA GLU 50 HA GLU 50 -1.028 7.660 -2.821 339 HB2 GLU 50 1HB GLU 50 -0.021 7.918 -0.683 340 HB3 GLU 50 2HB GLU 50 -1.750 7.985 -0.351 341 HG2 GLU 50 1HG GLU 50 -1.606 5.471 0.098 342 HG3 GLU 50 2HG GLU 50 0.139 5.660 0.092 343 H TYR 51 H TYR 51 -1.524 4.467 -1.364 344 HA TYR 51 HA TYR 51 1.084 3.421 -1.758 345 HB2 TYR 51 1HB TYR 51 -1.666 2.230 -1.426 346 HB3 TYR 51 2HB TYR 51 -0.337 1.163 -1.876 347 HD1 TYR 51 HD2 TYR 51 1.579 0.833 -0.388 348 HD2 TYR 51 HD1 TYR 51 -1.741 3.276 0.783 349 HE1 TYR 51 HE2 TYR 51 2.350 0.757 1.967 350 HE2 TYR 51 HE1 TYR 51 -0.973 3.211 3.134 351 HH TYR 51 HH TYR 51 0.423 2.152 4.577 352 H ILE 52 H ILE 52 -1.820 3.175 -3.813 353 HA ILE 52 HA ILE 52 -0.536 1.707 -5.922 354 HB ILE 52 HB ILE 52 -3.012 3.470 -5.918 355 HG12 ILE 52 1HG1 ILE 52 -2.752 0.449 -6.037 356 HG13 ILE 52 2HG1 ILE 52 -2.968 1.335 -4.529 357 HG21 ILE 52 1HG2 ILE 52 -3.502 2.123 -8.059 358 HG22 ILE 52 2HG2 ILE 52 -1.781 1.735 -8.066 359 HG23 ILE 52 3HG2 ILE 52 -2.307 3.414 -8.188 360 HD11 ILE 52 3HD1 ILE 52 -5.057 2.351 -5.515 361 HD12 ILE 52 1HD1 ILE 52 -5.151 0.605 -5.277 362 HD13 ILE 52 2HD1 ILE 52 -4.870 1.262 -6.889 363 H SER 53 H SER 53 -1.152 5.174 -5.439 364 HA SER 53 HA SER 53 -0.196 6.110 -7.938 365 HB2 SER 53 1HB SER 53 -0.071 7.458 -5.217 366 HB3 SER 53 2HB SER 53 0.160 8.273 -6.761 367 HG SER 53 HG SER 53 -2.130 6.707 -6.372 368 H LEU 54 H LEU 54 1.557 6.062 -4.827 369 HA LEU 54 HA LEU 54 4.096 6.704 -5.966 370 HB2 LEU 54 1HB LEU 54 3.175 5.526 -3.346 371 HB3 LEU 54 2HB LEU 54 4.896 5.553 -3.710 372 HG LEU 54 HG LEU 54 4.075 7.576 -2.434 373 HD11 LEU 54 1HD1 LEU 54 5.607 8.947 -3.483 374 HD12 LEU 54 2HD1 LEU 54 4.994 8.613 -5.095 375 HD13 LEU 54 3HD1 LEU 54 6.034 7.445 -4.290 376 HD21 LEU 54 3HD2 LEU 54 2.820 8.438 -5.048 377 HD22 LEU 54 1HD2 LEU 54 2.624 9.154 -3.451 378 HD23 LEU 54 2HD2 LEU 54 1.877 7.604 -3.818 379 H ALA 55 H ALA 55 2.563 3.623 -5.206 380 HA ALA 55 HA ALA 55 4.773 1.923 -5.741 381 HB1 ALA 55 3HB ALA 55 1.788 1.475 -6.080 382 HB2 ALA 55 1HB ALA 55 2.784 1.026 -4.694 383 HB3 ALA 55 2HB ALA 55 2.990 0.194 -6.234 384 H LYS 56 H LYS 56 2.254 3.200 -7.907 385 HA LYS 56 HA LYS 56 3.112 1.834 -10.264 386 HB2 LYS 56 1HB LYS 56 0.888 2.947 -9.989 387 HB3 LYS 56 2HB LYS 56 1.697 4.515 -10.042 388 HG2 LYS 56 1HG LYS 56 2.546 4.032 -12.280 389 HG3 LYS 56 2HG LYS 56 1.822 2.426 -12.228 390 HD2 LYS 56 1HD LYS 56 -0.422 3.453 -12.015 391 HD3 LYS 56 2HD LYS 56 0.313 5.055 -12.109 392 HE2 LYS 56 1HE LYS 56 0.592 2.942 -14.265 393 HE3 LYS 56 2HE LYS 56 -0.605 4.236 -14.304 394 HZ1 LYS 56 3HZ LYS 56 1.521 5.686 -13.866 395 HZ2 LYS 56 1HZ LYS 56 1.078 5.225 -15.437 396 HZ3 LYS 56 2HZ LYS 56 2.300 4.375 -14.617 397 H GLN 57 H GLN 57 3.857 5.037 -8.932 398 HA GLN 57 HA GLN 57 5.511 5.932 -11.090 399 HB2 GLN 57 1HB GLN 57 5.444 6.687 -8.147 400 HB3 GLN 57 2HB GLN 57 6.416 7.535 -9.352 401 HG2 GLN 57 1HG GLN 57 4.418 8.108 -10.625 402 HG3 GLN 57 2HG GLN 57 3.410 7.170 -9.523 403 HE21 GLN 57 2HE2 GLN 57 2.427 9.562 -9.467 404 HE22 GLN 57 1HE2 GLN 57 3.016 10.552 -8.220 405 H VAL 58 H VAL 58 6.268 4.307 -8.018 406 HA VAL 58 HA VAL 58 9.113 4.279 -8.345 407 HB VAL 58 HB VAL 58 7.255 2.441 -6.796 408 HG11 VAL 58 1HG1 VAL 58 9.274 1.200 -7.142 409 HG12 VAL 58 2HG1 VAL 58 9.410 1.906 -5.531 410 HG13 VAL 58 3HG1 VAL 58 10.273 2.631 -6.887 411 HG21 VAL 58 3HG2 VAL 58 9.128 4.571 -5.743 412 HG22 VAL 58 1HG2 VAL 58 7.767 3.810 -4.919 413 HG23 VAL 58 2HG2 VAL 58 7.477 4.953 -6.230 414 H TYR 59 H TYR 59 6.588 1.909 -9.159 415 HA TYR 59 HA TYR 59 8.524 0.617 -11.053 416 HB2 TYR 59 1HB TYR 59 8.246 -0.782 -9.020 417 HB3 TYR 59 2HB TYR 59 6.505 -0.827 -9.305 418 HD1 TYR 59 HD1 TYR 59 5.586 -1.977 -11.299 419 HD2 TYR 59 HD2 TYR 59 9.782 -2.050 -10.388 420 HE1 TYR 59 HE1 TYR 59 5.896 -3.861 -12.883 421 HE2 TYR 59 HE2 TYR 59 10.092 -3.931 -11.973 422 HH TYR 59 HH TYR 59 7.741 -4.838 -14.231 423 H ALA 60 H ALA 60 7.789 0.781 -13.026 424 HA ALA 60 HA ALA 60 5.122 1.629 -13.697 425 HB1 ALA 60 3HB ALA 60 5.896 1.073 -16.065 426 HB2 ALA 60 1HB ALA 60 7.431 0.575 -15.349 427 HB3 ALA 60 2HB ALA 60 6.884 2.245 -15.192 428 H ASN 61 H ASN 61 3.461 0.489 -14.605 429 HA ASN 61 HA ASN 61 2.009 -1.299 -14.920 430 HB2 ASN 61 1HB ASN 61 3.818 -1.769 -16.663 431 HB3 ASN 61 2HB ASN 61 4.464 -2.952 -15.525 432 HD21 ASN 61 2HD2 ASN 61 2.962 -3.228 -18.230 433 HD22 ASN 61 1HD2 ASN 61 1.725 -4.342 -17.889 434 H VAL 62 H VAL 62 2.772 -0.824 -12.286 435 HA VAL 62 HA VAL 62 3.643 -3.206 -10.918 436 HB VAL 62 HB VAL 62 3.753 -0.903 -9.945 437 HG11 VAL 62 1HG1 VAL 62 1.453 -0.241 -10.789 438 HG12 VAL 62 2HG1 VAL 62 1.774 0.173 -9.105 439 HG13 VAL 62 3HG1 VAL 62 0.774 -1.227 -9.493 440 HG21 VAL 62 3HG2 VAL 62 3.285 -1.606 -7.712 441 HG22 VAL 62 1HG2 VAL 62 3.714 -3.074 -8.587 442 HG23 VAL 62 2HG2 VAL 62 2.022 -2.714 -8.249 443 H GLU 63 H GLU 63 2.506 -4.871 -10.107 444 HA GLU 63 HA GLU 63 -0.435 -4.972 -10.700 445 HB2 GLU 63 1HB GLU 63 1.606 -7.214 -10.478 446 HB3 GLU 63 2HB GLU 63 -0.125 -7.441 -10.723 447 HG2 GLU 63 1HG GLU 63 0.695 -7.512 -12.918 448 HG3 GLU 63 2HG GLU 63 0.191 -5.831 -12.766 449 H TYR 64 H TYR 64 -1.808 -5.419 -9.093 450 HA TYR 64 HA TYR 64 -0.891 -6.507 -6.527 451 HB2 TYR 64 1HB TYR 64 -1.661 -4.600 -5.204 452 HB3 TYR 64 2HB TYR 64 -0.389 -4.096 -6.313 453 HD1 TYR 64 HD1 TYR 64 -0.891 -2.697 -8.266 454 HD2 TYR 64 HD2 TYR 64 -3.985 -3.913 -5.542 455 HE1 TYR 64 HE1 TYR 64 -2.417 -0.999 -9.238 456 HE2 TYR 64 HE2 TYR 64 -5.508 -2.215 -6.516 457 HH TYR 64 HH TYR 64 -4.375 0.175 -8.804 458 H GLU 65 H GLU 65 -2.714 -6.782 -5.023 459 HA GLU 65 HA GLU 65 -5.415 -6.799 -6.270 460 HB2 GLU 65 1HB GLU 65 -4.381 -9.033 -6.699 461 HB3 GLU 65 2HB GLU 65 -4.163 -9.237 -4.959 462 HG2 GLU 65 1HG GLU 65 -6.585 -9.057 -4.609 463 HG3 GLU 65 2HG GLU 65 -6.828 -8.775 -6.332 464 H VAL 66 H VAL 66 -7.098 -6.911 -4.727 465 HA VAL 66 HA VAL 66 -6.272 -6.362 -1.893 466 HB VAL 66 HB VAL 66 -7.000 -4.283 -2.857 467 HG11 VAL 66 1HG1 VAL 66 -8.197 -5.239 -4.815 468 HG12 VAL 66 2HG1 VAL 66 -9.164 -4.028 -3.975 469 HG13 VAL 66 3HG1 VAL 66 -9.509 -5.742 -3.747 470 HG21 VAL 66 3HG2 VAL 66 -7.903 -5.070 -0.576 471 HG22 VAL 66 1HG2 VAL 66 -9.430 -5.353 -1.413 472 HG23 VAL 66 2HG2 VAL 66 -8.746 -3.728 -1.347 473 H ALA 67 H ALA 67 -7.217 -7.558 -0.406 474 HA ALA 67 HA ALA 67 -9.137 -9.635 -1.222 475 HB1 ALA 67 3HB ALA 67 -7.826 -10.712 0.323 476 HB2 ALA 67 1HB ALA 67 -8.776 -9.870 1.549 477 HB3 ALA 67 2HB ALA 67 -7.248 -9.191 0.999 478 HA PRO 68 HA PRO 68 -12.849 -7.748 0.180 479 HB2 PRO 68 1HB PRO 68 -13.997 -9.773 1.706 480 HB3 PRO 68 2HB PRO 68 -13.998 -9.731 -0.068 481 HG2 PRO 68 1HG PRO 68 -12.141 -11.180 1.779 482 HG3 PRO 68 2HG PRO 68 -12.926 -11.755 0.292 483 HD2 PRO 68 1HD PRO 68 -10.364 -10.991 0.259 484 HD3 PRO 68 2HD PRO 68 -11.441 -10.582 -1.096 485 H VAL 69 H VAL 69 -13.369 -6.346 1.761 486 HA VAL 69 HA VAL 69 -12.540 -6.892 4.575 487 HB VAL 69 HB VAL 69 -12.002 -4.318 3.067 488 HG11 VAL 69 1HG1 VAL 69 -11.734 -5.134 5.961 489 HG12 VAL 69 2HG1 VAL 69 -12.561 -3.724 5.296 490 HG13 VAL 69 3HG1 VAL 69 -10.802 -3.803 5.282 491 HG21 VAL 69 3HG2 VAL 69 -10.114 -6.365 4.277 492 HG22 VAL 69 1HG2 VAL 69 -9.638 -4.868 3.474 493 HG23 VAL 69 2HG2 VAL 69 -10.415 -6.154 2.554 494 H ALA 70 H ALA 70 -13.954 -6.190 6.063 495 HA ALA 70 HA ALA 70 -16.625 -5.482 5.283 496 HB1 ALA 70 3HB ALA 70 -17.142 -5.531 7.586 497 HB2 ALA 70 1HB ALA 70 -15.505 -5.078 8.059 498 HB3 ALA 70 2HB ALA 70 -15.824 -6.692 7.427 499 H ASP 71 H ASP 71 -17.746 -3.544 5.758 500 HA ASP 71 HA ASP 71 -16.394 -1.160 4.982 501 HB2 ASP 71 1HB ASP 71 -18.523 -0.025 5.601 502 HB3 ASP 71 2HB ASP 71 -18.791 -1.450 4.602 503 H ASN 72 H ASN 72 -17.255 -2.524 8.096 504 HA ASN 72 HA ASN 72 -16.066 -0.172 9.510 505 HB2 ASN 72 1HB ASN 72 -17.817 -2.448 10.506 506 HB3 ASN 72 2HB ASN 72 -17.143 -1.182 11.531 507 HD21 ASN 72 2HD2 ASN 72 -17.577 0.615 8.928 508 HD22 ASN 72 1HD2 ASN 72 -19.202 1.074 9.086 509 H ALA 73 H ALA 73 -14.553 -2.329 8.109 510 HA ALA 73 HA ALA 73 -13.410 -4.104 10.085 511 HB1 ALA 73 3HB ALA 73 -11.899 -4.754 8.372 512 HB2 ALA 73 1HB ALA 73 -12.016 -3.197 7.554 513 HB3 ALA 73 2HB ALA 73 -13.369 -4.324 7.504 514 H THR 74 H THR 74 -13.087 -0.790 9.496 515 HA THR 74 HA THR 74 -11.606 0.849 10.251 516 HB THR 74 HB THR 74 -10.743 0.525 12.496 517 HG1 THR 74 HG1 THR 74 -10.440 -1.413 13.327 518 HG21 THR 74 3HG2 THR 74 -13.284 0.711 12.012 519 HG22 THR 74 1HG2 THR 74 -12.785 0.180 13.618 520 HG23 THR 74 2HG2 THR 74 -13.341 -1.001 12.433 521 H GLU 75 H GLU 75 -10.622 -1.725 8.689 522 HA GLU 75 HA GLU 75 -7.831 -0.790 8.544 523 HB2 GLU 75 1HB GLU 75 -6.817 -2.894 9.053 524 HB3 GLU 75 2HB GLU 75 -7.942 -2.564 10.368 525 HG2 GLU 75 1HG GLU 75 -9.655 -3.961 9.082 526 HG3 GLU 75 2HG GLU 75 -8.326 -4.464 8.039 527 H LEU 76 H LEU 76 -6.662 -2.377 6.919 528 HA LEU 76 HA LEU 76 -8.486 -3.300 4.781 529 HB2 LEU 76 1HB LEU 76 -7.921 -0.850 4.407 530 HB3 LEU 76 2HB LEU 76 -6.241 -1.353 4.214 531 HG LEU 76 HG LEU 76 -7.302 -3.093 2.484 532 HD11 LEU 76 1HD1 LEU 76 -9.637 -2.464 2.991 533 HD12 LEU 76 2HD1 LEU 76 -9.239 -2.117 1.312 534 HD13 LEU 76 3HD1 LEU 76 -9.297 -0.809 2.493 535 HD21 LEU 76 3HD2 LEU 76 -6.894 -1.484 0.687 536 HD22 LEU 76 1HD2 LEU 76 -5.667 -1.311 1.940 537 HD23 LEU 76 2HD2 LEU 76 -6.990 -0.147 1.834 538 H HIS 77 H HIS 77 -7.735 -5.060 3.811 539 HA HIS 77 HA HIS 77 -4.881 -5.871 4.274 540 HB2 HIS 77 1HB HIS 77 -7.371 -7.584 4.004 541 HB3 HIS 77 2HB HIS 77 -5.723 -8.208 4.096 542 HD1 HIS 77 HD1 HIS 77 -4.359 -7.400 6.336 543 HD2 HIS 77 HD2 HIS 77 -8.518 -7.164 6.494 544 HE1 HIS 77 HE1 HIS 77 -4.974 -7.229 8.787 545 H ALA 78 H ALA 78 -3.740 -5.770 2.483 546 HA ALA 78 HA ALA 78 -4.818 -6.813 -0.058 547 HB1 ALA 78 3HB ALA 78 -5.402 -4.384 -0.032 548 HB2 ALA 78 1HB ALA 78 -4.280 -4.812 -1.323 549 HB3 ALA 78 2HB ALA 78 -3.685 -4.008 0.131 550 H ARG 79 H ARG 79 -3.122 -7.041 -1.676 551 HA ARG 79 HA ARG 79 -0.349 -7.129 -0.539 552 HB2 ARG 79 1HB ARG 79 -1.740 -9.259 -2.194 553 HB3 ARG 79 2HB ARG 79 -0.028 -9.268 -1.765 554 HG2 ARG 79 1HG ARG 79 -0.584 -9.323 0.613 555 HG3 ARG 79 2HG ARG 79 -2.303 -9.211 0.239 556 HD2 ARG 79 1HD ARG 79 -1.747 -11.541 0.686 557 HD3 ARG 79 2HD ARG 79 -2.121 -11.356 -1.028 558 HE ARG 79 HE ARG 79 0.161 -11.779 -1.547 559 HH11 ARG 79 1HH2 ARG 79 -0.378 -11.372 1.858 560 HH12 ARG 79 2HH2 ARG 79 1.202 -11.934 2.293 561 HH21 ARG 79 1HH1 ARG 79 2.204 -12.511 -0.971 562 HH22 ARG 79 2HH1 ARG 79 2.656 -12.575 0.700 563 H PHE 80 H PHE 80 1.302 -6.841 -2.034 564 HA PHE 80 HA PHE 80 0.487 -5.860 -4.754 565 HB2 PHE 80 1HB PHE 80 2.457 -4.681 -2.779 566 HB3 PHE 80 2HB PHE 80 2.462 -4.268 -4.494 567 HD1 PHE 80 HD2 PHE 80 0.118 -4.522 -1.577 568 HD2 PHE 80 HD1 PHE 80 1.095 -2.523 -5.251 569 HE1 PHE 80 HE2 PHE 80 -1.731 -2.911 -1.194 570 HE2 PHE 80 HE1 PHE 80 -0.752 -0.917 -4.871 571 HZ PHE 80 HZ PHE 80 -2.166 -1.109 -2.843 572 H LYS 81 H LYS 81 1.961 -6.233 -6.407 573 HA LYS 81 HA LYS 81 4.035 -8.327 -5.828 574 HB2 LYS 81 1HB LYS 81 2.131 -9.083 -7.240 575 HB3 LYS 81 2HB LYS 81 2.525 -7.825 -8.410 576 HG2 LYS 81 1HG LYS 81 4.767 -8.793 -8.721 577 HG3 LYS 81 2HG LYS 81 4.405 -10.031 -7.518 578 HD2 LYS 81 1HD LYS 81 2.550 -10.853 -8.931 579 HD3 LYS 81 2HD LYS 81 2.934 -9.625 -10.138 580 HE2 LYS 81 1HE LYS 81 5.178 -10.594 -10.429 581 HE3 LYS 81 2HE LYS 81 4.820 -11.811 -9.203 582 HZ1 LYS 81 3HZ LYS 81 3.201 -11.454 -11.662 583 HZ2 LYS 81 1HZ LYS 81 3.139 -12.741 -10.559 584 HZ3 LYS 81 2HZ LYS 81 4.501 -12.543 -11.555 585 H PHE 82 H PHE 82 6.052 -7.772 -6.179 586 HA PHE 82 HA PHE 82 6.677 -5.492 -8.031 587 HB2 PHE 82 1HB PHE 82 7.872 -6.148 -5.328 588 HB3 PHE 82 2HB PHE 82 8.605 -5.022 -6.472 589 HD1 PHE 82 HD2 PHE 82 7.172 -3.072 -7.333 590 HD2 PHE 82 HD1 PHE 82 6.125 -5.433 -3.902 591 HE1 PHE 82 HE2 PHE 82 5.647 -1.275 -6.563 592 HE2 PHE 82 HE1 PHE 82 4.599 -3.636 -3.130 593 HZ PHE 82 HZ PHE 82 4.360 -1.557 -4.461 594 H GLU 83 H GLU 83 8.555 -5.680 -9.216 595 HA GLU 83 HA GLU 83 9.335 -8.351 -9.973 596 HB2 GLU 83 1HB GLU 83 9.320 -6.328 -11.496 597 HB3 GLU 83 2HB GLU 83 10.751 -5.752 -10.641 598 HG2 GLU 83 1HG GLU 83 11.531 -6.939 -12.585 599 HG3 GLU 83 2HG GLU 83 11.852 -7.969 -11.191 600 H VAL 84 H VAL 84 10.724 -5.849 -7.912 601 HA VAL 84 HA VAL 84 12.816 -7.815 -7.040 602 HB VAL 84 HB VAL 84 14.398 -5.928 -6.813 603 HG11 VAL 84 1HG1 VAL 84 13.164 -6.353 -9.547 604 HG12 VAL 84 2HG1 VAL 84 14.517 -7.235 -8.840 605 HG13 VAL 84 3HG1 VAL 84 14.706 -5.539 -9.286 606 HG21 VAL 84 3HG2 VAL 84 13.004 -4.019 -6.535 607 HG22 VAL 84 1HG2 VAL 84 12.073 -4.386 -7.987 608 HG23 VAL 84 2HG2 VAL 84 13.734 -3.808 -8.126 609 H SER 85 H SER 85 13.683 -7.342 -4.913 610 HA SER 85 HA SER 85 11.544 -6.557 -3.041 611 HB2 SER 85 1HB SER 85 14.305 -7.741 -2.592 612 HB3 SER 85 2HB SER 85 13.127 -7.434 -1.319 613 HG SER 85 HG SER 85 12.776 -9.504 -1.923 614 H ALA 86 H ALA 86 14.327 -5.168 -4.471 615 HA ALA 86 HA ALA 86 15.273 -3.455 -2.410 616 HB1 ALA 86 3HB ALA 86 16.427 -3.788 -4.591 617 HB2 ALA 86 1HB ALA 86 16.189 -2.079 -4.232 618 HB3 ALA 86 2HB ALA 86 15.140 -2.890 -5.396 619 H GLU 87 H GLU 87 12.772 -2.925 -4.882 620 HA GLU 87 HA GLU 87 12.084 -0.267 -4.049 621 HB2 GLU 87 1HB GLU 87 10.028 -0.638 -5.406 622 HB3 GLU 87 2HB GLU 87 11.487 -1.108 -6.272 623 HG2 GLU 87 1HG GLU 87 10.011 -2.912 -6.652 624 HG3 GLU 87 2HG GLU 87 11.039 -3.484 -5.341 625 H LYS 88 H LYS 88 11.083 -3.465 -3.035 626 HA LYS 88 HA LYS 88 8.707 -2.768 -1.614 627 HB2 LYS 88 1HB LYS 88 9.377 -5.107 -2.142 628 HB3 LYS 88 2HB LYS 88 10.709 -4.974 -0.998 629 HG2 LYS 88 1HG LYS 88 9.134 -4.584 0.838 630 HG3 LYS 88 2HG LYS 88 7.785 -4.638 -0.296 631 HD2 LYS 88 1HD LYS 88 8.294 -6.965 -0.845 632 HD3 LYS 88 2HD LYS 88 9.720 -6.922 0.193 633 HE2 LYS 88 1HE LYS 88 7.633 -7.974 1.221 634 HE3 LYS 88 2HE LYS 88 8.393 -6.695 2.168 635 HZ1 LYS 88 3HZ LYS 88 6.595 -5.431 1.984 636 HZ2 LYS 88 1HZ LYS 88 5.782 -6.786 1.371 637 HZ3 LYS 88 2HZ LYS 88 6.491 -5.671 0.308 638 H LEU 89 H LEU 89 12.100 -3.011 -0.567 639 HA LEU 89 HA LEU 89 11.678 -2.362 2.179 640 HB2 LEU 89 1HB LEU 89 14.093 -1.859 0.397 641 HB3 LEU 89 2HB LEU 89 14.105 -1.760 2.155 642 HG LEU 89 HG LEU 89 13.343 -4.244 0.586 643 HD11 LEU 89 1HD1 LEU 89 15.713 -3.775 0.272 644 HD12 LEU 89 2HD1 LEU 89 15.542 -5.112 1.409 645 HD13 LEU 89 3HD1 LEU 89 15.919 -3.496 2.001 646 HD21 LEU 89 3HD2 LEU 89 13.895 -5.192 3.004 647 HD22 LEU 89 1HD2 LEU 89 12.311 -4.508 2.664 648 HD23 LEU 89 2HD2 LEU 89 13.521 -3.549 3.514 649 H ILE 90 H ILE 90 12.655 -0.280 -0.548 650 HA ILE 90 HA ILE 90 12.577 2.155 1.008 651 HB ILE 90 HB ILE 90 12.505 1.642 -1.992 652 HG12 ILE 90 1HG1 ILE 90 14.718 2.748 -0.236 653 HG13 ILE 90 2HG1 ILE 90 14.565 1.033 -0.619 654 HG21 ILE 90 1HG2 ILE 90 12.595 4.210 -0.391 655 HG22 ILE 90 2HG2 ILE 90 11.509 3.791 -1.717 656 HG23 ILE 90 3HG2 ILE 90 13.212 4.122 -2.040 657 HD11 ILE 90 3HD1 ILE 90 16.122 2.355 -2.139 658 HD12 ILE 90 1HD1 ILE 90 14.687 3.182 -2.747 659 HD13 ILE 90 2HD1 ILE 90 14.858 1.439 -2.963 660 H PHE 91 H PHE 91 10.284 0.615 -1.236 661 HA PHE 91 HA PHE 91 8.302 2.661 -1.195 662 HB2 PHE 91 1HB PHE 91 8.294 0.849 -2.860 663 HB3 PHE 91 2HB PHE 91 7.966 -0.333 -1.591 664 HD1 PHE 91 HD1 PHE 91 6.620 2.901 -2.947 665 HD2 PHE 91 HD2 PHE 91 5.737 -0.894 -1.135 666 HE1 PHE 91 HE1 PHE 91 4.192 3.367 -3.148 667 HE2 PHE 91 HE2 PHE 91 3.312 -0.427 -1.338 668 HZ PHE 91 HZ PHE 91 2.540 1.702 -2.345 669 H GLU 92 H GLU 92 8.662 -0.276 0.793 670 HA GLU 92 HA GLU 92 6.298 0.142 2.359 671 HB2 GLU 92 1HB GLU 92 7.463 -2.039 2.235 672 HB3 GLU 92 2HB GLU 92 8.837 -1.352 3.103 673 HG2 GLU 92 1HG GLU 92 7.407 -0.880 5.040 674 HG3 GLU 92 2HG GLU 92 6.001 -1.495 4.171 675 H LEU 93 H LEU 93 9.688 1.091 2.802 676 HA LEU 93 HA LEU 93 9.384 2.206 5.424 677 HB2 LEU 93 1HB LEU 93 11.557 1.648 4.088 678 HB3 LEU 93 2HB LEU 93 11.349 3.243 3.368 679 HG LEU 93 HG LEU 93 11.047 3.984 5.927 680 HD11 LEU 93 1HD1 LEU 93 12.514 2.655 7.399 681 HD12 LEU 93 2HD1 LEU 93 12.794 1.510 6.085 682 HD13 LEU 93 3HD1 LEU 93 11.185 1.670 6.788 683 HD21 LEU 93 3HD2 LEU 93 12.794 4.828 4.417 684 HD22 LEU 93 1HD2 LEU 93 13.731 3.352 4.655 685 HD23 LEU 93 2HD2 LEU 93 13.477 4.463 6.002 686 H LYS 94 H LYS 94 9.193 3.620 2.178 687 HA LYS 94 HA LYS 94 8.757 6.324 3.044 688 HB2 LYS 94 1HB LYS 94 9.536 5.688 0.759 689 HB3 LYS 94 2HB LYS 94 7.930 5.036 0.426 690 HG2 LYS 94 1HG LYS 94 6.913 7.209 0.715 691 HG3 LYS 94 2HG LYS 94 8.433 7.900 1.285 692 HD2 LYS 94 1HD LYS 94 7.999 8.468 -1.092 693 HD3 LYS 94 2HD LYS 94 9.461 7.498 -0.909 694 HE2 LYS 94 1HE LYS 94 6.844 6.099 -1.402 695 HE3 LYS 94 2HE LYS 94 7.683 6.860 -2.752 696 HZ1 LYS 94 3HZ LYS 94 9.227 5.286 -2.763 697 HZ2 LYS 94 1HZ LYS 94 8.203 4.392 -1.748 698 HZ3 LYS 94 2HZ LYS 94 9.440 5.347 -1.078 699 H THR 95 H THR 95 6.598 3.642 2.285 700 HA THR 95 HA THR 95 4.146 5.090 2.243 701 HB THR 95 HB THR 95 3.185 2.793 2.965 702 HG1 THR 95 HG1 THR 95 5.100 2.059 3.961 703 HG21 THR 95 3HG2 THR 95 4.843 3.324 0.508 704 HG22 THR 95 1HG2 THR 95 3.088 3.246 0.669 705 HG23 THR 95 2HG2 THR 95 4.046 1.767 0.722 706 H ARG 96 H ARG 96 5.714 3.326 4.925 707 HA ARG 96 HA ARG 96 3.788 4.084 6.910 708 HB2 ARG 96 1HB ARG 96 6.676 3.184 7.072 709 HB3 ARG 96 2HB ARG 96 5.730 3.559 8.512 710 HG2 ARG 96 1HG ARG 96 4.050 1.880 7.860 711 HG3 ARG 96 2HG ARG 96 4.972 1.516 6.401 712 HD2 ARG 96 1HD ARG 96 6.760 0.566 7.622 713 HD3 ARG 96 2HD ARG 96 6.242 1.316 9.133 714 HE ARG 96 HE ARG 96 4.646 -0.419 9.419 715 HH11 ARG 96 1HH2 ARG 96 6.121 -0.490 6.285 716 HH12 ARG 96 2HH2 ARG 96 5.494 -2.059 5.898 717 HH21 ARG 96 1HH1 ARG 96 3.840 -2.451 8.914 718 HH22 ARG 96 2HH1 ARG 96 4.209 -3.164 7.379 719 H ALA 97 H ALA 97 6.818 5.511 5.794 720 HA ALA 97 HA ALA 97 7.036 7.592 7.728 721 HB1 ALA 97 3HB ALA 97 8.467 8.712 6.038 722 HB2 ALA 97 1HB ALA 97 7.903 7.577 4.813 723 HB3 ALA 97 2HB ALA 97 8.867 7.001 6.172 724 H LEU 98 H LEU 98 5.327 7.386 4.633 725 HA LEU 98 HA LEU 98 4.484 10.112 4.498 726 HB2 LEU 98 1HB LEU 98 4.342 8.146 2.722 727 HB3 LEU 98 2HB LEU 98 2.770 7.842 3.453 728 HG LEU 98 HG LEU 98 3.658 10.536 2.372 729 HD11 LEU 98 1HD1 LEU 98 2.055 10.046 0.532 730 HD12 LEU 98 2HD1 LEU 98 1.880 8.406 1.160 731 HD13 LEU 98 3HD1 LEU 98 3.439 8.953 0.539 732 HD21 LEU 98 3HD2 LEU 98 0.985 10.702 2.449 733 HD22 LEU 98 1HD2 LEU 98 1.969 11.080 3.854 734 HD23 LEU 98 2HD2 LEU 98 1.179 9.509 3.728 735 H ALA 99 H ALA 99 2.967 7.208 5.875 736 HA ALA 99 HA ALA 99 0.531 8.458 6.709 737 HB1 ALA 99 3HB ALA 99 0.691 6.036 6.608 738 HB2 ALA 99 1HB ALA 99 0.373 6.495 8.280 739 HB3 ALA 99 2HB ALA 99 2.002 6.029 7.788 740 H ARG 100 H ARG 100 3.655 7.986 8.319 741 HA ARG 100 HA ARG 100 2.894 8.986 10.891 742 HB2 ARG 100 1HB ARG 100 5.564 8.868 9.455 743 HB3 ARG 100 2HB ARG 100 5.399 9.431 11.120 744 HG2 ARG 100 1HG ARG 100 4.431 7.288 11.786 745 HG3 ARG 100 2HG ARG 100 4.470 6.720 10.118 746 HD2 ARG 100 1HD ARG 100 6.390 5.800 11.302 747 HD3 ARG 100 2HD ARG 100 6.956 6.994 10.136 748 HE ARG 100 HE ARG 100 7.576 8.426 11.935 749 HH11 ARG 100 1HH2 ARG 100 5.771 5.655 12.994 750 HH12 ARG 100 2HH2 ARG 100 6.138 5.912 14.668 751 HH21 ARG 100 1HH1 ARG 100 8.050 8.745 14.107 752 HH22 ARG 100 2HH1 ARG 100 7.419 7.654 15.294 753 H LEU 101 H LEU 101 4.232 10.571 8.008 754 HA LEU 101 HA LEU 101 4.032 13.227 9.325 755 HB2 LEU 101 1HB LEU 101 5.261 12.194 6.764 756 HB3 LEU 101 2HB LEU 101 4.936 13.919 6.946 757 HG LEU 101 HG LEU 101 6.258 13.948 9.034 758 HD11 LEU 101 1HD1 LEU 101 6.006 11.736 9.881 759 HD12 LEU 101 2HD1 LEU 101 7.708 11.870 9.438 760 HD13 LEU 101 3HD1 LEU 101 6.585 11.014 8.380 761 HD21 LEU 101 3HD2 LEU 101 8.456 13.692 8.002 762 HD22 LEU 101 1HD2 LEU 101 7.340 14.372 6.818 763 HD23 LEU 101 2HD2 LEU 101 7.776 12.665 6.739 764 H GLU 102 H GLU 102 2.198 14.325 9.189 765 HA GLU 102 HA GLU 102 0.571 14.221 6.698 766 HB2 GLU 102 1HB GLU 102 -0.491 13.721 9.498 767 HB3 GLU 102 2HB GLU 102 -1.510 14.045 8.096 768 HG2 GLU 102 1HG GLU 102 0.471 11.758 8.291 769 HG3 GLU 102 2HG GLU 102 -1.262 11.605 8.546 770 H HIS 103 H HIS 103 0.778 16.272 6.088 771 HA HIS 103 HA HIS 103 0.306 18.454 8.097 772 HB2 HIS 103 1HB HIS 103 1.794 18.515 5.452 773 HB3 HIS 103 2HB HIS 103 1.505 19.916 6.486 774 HD1 HIS 103 HD1 HIS 103 2.463 19.630 9.037 775 HD2 HIS 103 HD2 HIS 103 4.080 17.100 6.146 776 HE1 HIS 103 HE1 HIS 103 4.622 18.726 10.003 777 H HIS 104 H HIS 104 -1.538 19.497 7.925 778 HA HIS 104 HA HIS 104 -3.335 19.056 5.652 779 HB2 HIS 104 1HB HIS 104 -3.626 20.698 8.193 780 HB3 HIS 104 2HB HIS 104 -4.902 20.488 6.992 781 HD1 HIS 104 HD1 HIS 104 -2.990 18.623 9.640 782 HD2 HIS 104 HD2 HIS 104 -6.089 17.901 6.946 783 HE1 HIS 104 HE1 HIS 104 -4.016 16.404 10.305 784 H HIS 105 H HIS 105 -3.453 20.325 3.934 785 HA HIS 105 HA HIS 105 -1.769 22.620 3.553 786 HB2 HIS 105 1HB HIS 105 -4.130 21.544 1.972 787 HB3 HIS 105 2HB HIS 105 -3.141 22.902 1.436 788 HD1 HIS 105 HD1 HIS 105 -2.981 19.191 2.068 789 HD2 HIS 105 HD2 HIS 105 -0.562 22.199 0.493 790 HE1 HIS 105 HE1 HIS 105 -1.018 18.029 0.966 791 H HIS 106 H HIS 106 -5.248 22.249 4.213 792 HA HIS 106 HA HIS 106 -5.447 25.218 4.598 793 HB2 HIS 106 1HB HIS 106 -7.845 24.935 4.303 794 HB3 HIS 106 2HB HIS 106 -6.997 24.190 2.950 795 HD1 HIS 106 HD1 HIS 106 -9.085 23.382 5.946 796 HD2 HIS 106 HD2 HIS 106 -7.106 21.323 2.909 797 HE1 HIS 106 HE1 HIS 106 -9.915 20.992 6.043 798 H HIS 107 H HIS 107 -5.562 25.947 6.589 799 HA HIS 107 HA HIS 107 -5.552 24.256 8.911 800 HB2 HIS 107 1HB HIS 107 -6.009 27.241 8.580 801 HB3 HIS 107 2HB HIS 107 -5.859 26.441 10.146 802 HD1 HIS 107 HD1 HIS 107 -3.538 25.096 10.524 803 HD2 HIS 107 HD2 HIS 107 -3.565 27.835 7.381 804 HE1 HIS 107 HE1 HIS 107 -1.114 25.522 9.926 805 H HIS 108 H HIS 108 -8.053 26.198 7.311 806 HA HIS 108 HA HIS 108 -10.149 24.505 8.431 807 HB2 HIS 108 1HB HIS 108 -9.745 26.045 10.316 808 HB3 HIS 108 2HB HIS 108 -10.008 27.425 9.248 809 HD1 HIS 108 HD1 HIS 108 -11.866 24.316 10.438 810 HD2 HIS 108 HD2 HIS 108 -12.674 28.161 9.045 811 HE1 HIS 108 HE1 HIS 108 -14.372 24.630 10.617 Start of MODEL 9 1 H1 MET 1 1H MET 1 -20.186 -30.881 4.145 2 H2 MET 1 2H MET 1 -19.848 -32.517 3.839 3 H3 MET 1 3H MET 1 -18.889 -31.639 4.933 4 HA MET 1 HA MET 1 -20.224 -32.774 6.388 5 HB2 MET 1 1HB MET 1 -21.689 -30.232 5.622 6 HB3 MET 1 2HB MET 1 -22.091 -31.189 7.048 7 HG2 MET 1 1HG MET 1 -19.834 -30.883 7.932 8 HG3 MET 1 2HG MET 1 -19.357 -30.013 6.475 9 HE1 MET 1 3HE MET 1 -22.113 -28.753 9.861 10 HE2 MET 1 1HE MET 1 -21.614 -30.373 9.353 11 HE3 MET 1 2HE MET 1 -22.928 -29.550 8.516 12 H SER 2 H SER 2 -22.410 -31.469 3.890 13 HA SER 2 HA SER 2 -24.437 -33.474 4.341 14 HB2 SER 2 1HB SER 2 -24.055 -31.801 1.854 15 HB3 SER 2 2HB SER 2 -25.553 -32.520 2.439 16 HG SER 2 HG SER 2 -24.738 -30.142 2.945 17 H ASN 3 H ASN 3 -25.034 -35.187 2.979 18 HA ASN 3 HA ASN 3 -24.543 -37.170 1.839 19 HB2 ASN 3 1HB ASN 3 -23.374 -35.053 0.025 20 HB3 ASN 3 2HB ASN 3 -23.459 -36.756 -0.428 21 HD21 ASN 3 2HD2 ASN 3 -24.927 -34.750 -1.857 22 HD22 ASN 3 1HD2 ASN 3 -26.581 -35.015 -1.591 23 H GLN 4 H GLN 4 -22.469 -38.067 0.371 24 HA GLN 4 HA GLN 4 -20.486 -38.661 2.385 25 HB2 GLN 4 1HB GLN 4 -20.612 -39.258 -0.581 26 HB3 GLN 4 2HB GLN 4 -19.355 -39.878 0.489 27 HG2 GLN 4 1HG GLN 4 -21.062 -40.984 1.875 28 HG3 GLN 4 2HG GLN 4 -22.333 -40.342 0.835 29 HE21 GLN 4 2HE2 GLN 4 -23.096 -42.118 -0.347 30 HE22 GLN 4 1HE2 GLN 4 -22.107 -43.222 -1.176 31 H THR 5 H THR 5 -18.106 -38.694 1.074 32 HA THR 5 HA THR 5 -16.227 -37.342 0.811 33 HB THR 5 HB THR 5 -18.172 -35.829 -0.959 34 HG1 THR 5 HG1 THR 5 -16.194 -37.513 -1.928 35 HG21 THR 5 3HG2 THR 5 -16.012 -35.159 -2.113 36 HG22 THR 5 1HG2 THR 5 -15.154 -35.783 -0.705 37 HG23 THR 5 2HG2 THR 5 -16.265 -34.426 -0.530 38 H CYS 6 H CYS 6 -15.978 -36.535 2.880 39 HA CYS 6 HA CYS 6 -16.203 -33.686 3.194 40 HB2 CYS 6 1HB CYS 6 -17.800 -33.636 5.072 41 HB3 CYS 6 2HB CYS 6 -18.576 -34.253 3.614 42 HG CYS 6 HG CYS 6 -19.187 -36.163 5.082 43 H VAL 7 H VAL 7 -13.938 -34.726 3.412 44 HA VAL 7 HA VAL 7 -13.405 -35.878 6.085 45 HB VAL 7 HB VAL 7 -10.978 -35.842 5.136 46 HG11 VAL 7 1HG1 VAL 7 -11.565 -37.840 3.645 47 HG12 VAL 7 2HG1 VAL 7 -13.253 -37.487 4.015 48 HG13 VAL 7 3HG1 VAL 7 -12.137 -37.915 5.312 49 HG21 VAL 7 3HG2 VAL 7 -10.743 -35.603 2.768 50 HG22 VAL 7 1HG2 VAL 7 -11.673 -34.198 3.289 51 HG23 VAL 7 2HG2 VAL 7 -12.489 -35.562 2.524 52 H GLU 8 H GLU 8 -12.912 -34.635 7.755 53 HA GLU 8 HA GLU 8 -12.150 -31.794 7.343 54 HB2 GLU 8 1HB GLU 8 -12.553 -31.629 9.804 55 HB3 GLU 8 2HB GLU 8 -13.961 -32.251 8.943 56 HG2 GLU 8 1HG GLU 8 -13.292 -34.564 9.524 57 HG3 GLU 8 2HG GLU 8 -11.900 -33.934 10.407 58 H ASN 9 H ASN 9 -10.698 -34.785 7.796 59 HA ASN 9 HA ASN 9 -8.558 -34.080 9.601 60 HB2 ASN 9 1HB ASN 9 -8.790 -36.265 7.516 61 HB3 ASN 9 2HB ASN 9 -7.460 -36.139 8.668 62 HD21 ASN 9 2HD2 ASN 9 -9.663 -34.993 10.633 63 HD22 ASN 9 1HD2 ASN 9 -10.379 -36.406 11.237 64 H GLU 10 H GLU 10 -6.405 -33.530 9.129 65 HA GLU 10 HA GLU 10 -5.566 -33.071 6.363 66 HB2 GLU 10 1HB GLU 10 -6.881 -31.009 6.928 67 HB3 GLU 10 2HB GLU 10 -5.761 -30.710 8.256 68 HG2 GLU 10 1HG GLU 10 -5.029 -29.397 6.362 69 HG3 GLU 10 2HG GLU 10 -3.880 -30.716 6.572 70 H VAL 11 H VAL 11 -3.590 -33.923 6.410 71 HA VAL 11 HA VAL 11 -2.002 -34.170 8.817 72 HB VAL 11 HB VAL 11 -1.909 -35.792 6.926 73 HG11 VAL 11 1HG1 VAL 11 -0.882 -35.243 4.851 74 HG12 VAL 11 2HG1 VAL 11 -0.270 -33.709 5.468 75 HG13 VAL 11 3HG1 VAL 11 -1.996 -33.913 5.171 76 HG21 VAL 11 3HG2 VAL 11 -0.011 -35.413 8.594 77 HG22 VAL 11 1HG2 VAL 11 0.781 -34.465 7.335 78 HG23 VAL 11 2HG2 VAL 11 0.448 -36.177 7.072 79 H CYS 12 H CYS 12 -0.369 -32.891 9.543 80 HA CYS 12 HA CYS 12 0.792 -30.810 7.793 81 HB2 CYS 12 1HB CYS 12 -1.205 -29.739 8.816 82 HB3 CYS 12 2HB CYS 12 -0.565 -30.122 10.414 83 HG CYS 12 HG CYS 12 0.128 -27.646 9.228 84 H GLU 13 H GLU 13 2.608 -29.682 8.978 85 HA GLU 13 HA GLU 13 3.699 -31.138 11.306 86 HB2 GLU 13 1HB GLU 13 4.429 -32.391 9.237 87 HB3 GLU 13 2HB GLU 13 5.284 -30.934 8.729 88 HG2 GLU 13 1HG GLU 13 6.890 -32.309 9.866 89 HG3 GLU 13 2HG GLU 13 6.480 -30.995 10.971 90 H ALA 14 H ALA 14 3.007 -28.789 11.833 91 HA ALA 14 HA ALA 14 3.561 -26.539 12.234 92 HB1 ALA 14 3HB ALA 14 6.202 -27.983 12.555 93 HB2 ALA 14 1HB ALA 14 5.042 -27.570 13.817 94 HB3 ALA 14 2HB ALA 14 5.964 -26.297 13.016 95 H CYS 15 H CYS 15 3.996 -27.708 9.387 96 HA CYS 15 HA CYS 15 5.292 -25.252 8.337 97 HB2 CYS 15 1HB CYS 15 6.963 -27.217 8.544 98 HB3 CYS 15 2HB CYS 15 6.062 -27.943 7.212 99 HG CYS 15 HG CYS 15 7.186 -26.383 5.660 100 H GLY 16 H GLY 16 4.332 -24.531 6.507 101 HA2 GLY 16 1HA GLY 16 2.954 -24.502 4.601 102 HA3 GLY 16 2HA GLY 16 2.832 -26.259 4.702 103 H CYS 17 H CYS 17 2.119 -24.433 7.543 104 HA CYS 17 HA CYS 17 -0.531 -25.499 7.769 105 HB2 CYS 17 1HB CYS 17 0.786 -23.134 9.137 106 HB3 CYS 17 2HB CYS 17 -0.768 -23.814 9.618 107 HG CYS 17 HG CYS 17 0.385 -25.875 10.522 108 H ALA 18 H ALA 18 0.693 -22.360 6.649 109 HA ALA 18 HA ALA 18 -1.926 -21.196 6.263 110 HB1 ALA 18 3HB ALA 18 -0.640 -19.534 4.838 111 HB2 ALA 18 1HB ALA 18 0.807 -20.479 5.188 112 HB3 ALA 18 2HB ALA 18 -0.073 -19.698 6.501 113 H GLY 19 H GLY 19 -3.157 -21.056 4.412 114 HA2 GLY 19 1HA GLY 19 -2.450 -21.627 1.767 115 HA3 GLY 19 2HA GLY 19 -2.936 -23.176 2.466 116 H GLU 20 H GLU 20 -4.199 -19.932 3.143 117 HA GLU 20 HA GLU 20 -6.927 -20.748 3.197 118 HB2 GLU 20 1HB GLU 20 -7.420 -18.282 2.969 119 HB3 GLU 20 2HB GLU 20 -6.313 -18.690 4.277 120 HG2 GLU 20 1HG GLU 20 -5.262 -17.956 1.542 121 HG3 GLU 20 2HG GLU 20 -5.689 -16.705 2.708 122 H ILE 21 H ILE 21 -8.587 -20.552 1.659 123 HA ILE 21 HA ILE 21 -7.648 -20.576 -1.161 124 HB ILE 21 HB ILE 21 -10.308 -21.382 0.047 125 HG12 ILE 21 1HG1 ILE 21 -9.222 -23.683 -0.916 126 HG13 ILE 21 2HG1 ILE 21 -7.735 -22.830 -0.514 127 HG21 ILE 21 1HG2 ILE 21 -9.191 -21.465 -2.761 128 HG22 ILE 21 2HG2 ILE 21 -10.704 -20.743 -2.211 129 HG23 ILE 21 3HG2 ILE 21 -10.526 -22.497 -2.251 130 HD11 ILE 21 3HD1 ILE 21 -8.545 -22.498 1.792 131 HD12 ILE 21 1HD1 ILE 21 -8.524 -24.210 1.372 132 HD13 ILE 21 2HD1 ILE 21 -10.048 -23.324 1.383 133 H GLY 22 H GLY 22 -7.976 -18.894 -2.447 134 HA2 GLY 22 1HA GLY 22 -10.281 -17.352 -2.743 135 HA3 GLY 22 2HA GLY 22 -9.314 -16.502 -1.536 136 H PHE 23 H PHE 23 -7.883 -15.064 -2.333 137 HA PHE 23 HA PHE 23 -7.186 -15.181 -5.234 138 HB2 PHE 23 1HB PHE 23 -7.061 -12.947 -3.193 139 HB3 PHE 23 2HB PHE 23 -6.470 -12.795 -4.850 140 HD1 PHE 23 HD1 PHE 23 -8.039 -13.011 -6.768 141 HD2 PHE 23 HD2 PHE 23 -9.425 -12.959 -2.703 142 HE1 PHE 23 HE1 PHE 23 -10.344 -12.559 -7.562 143 HE2 PHE 23 HE2 PHE 23 -11.732 -12.504 -3.496 144 HZ PHE 23 HZ PHE 23 -12.191 -12.306 -5.926 145 H ILE 24 H ILE 24 -5.029 -15.031 -5.921 146 HA ILE 24 HA ILE 24 -2.831 -14.875 -4.016 147 HB ILE 24 HB ILE 24 -3.572 -17.230 -3.716 148 HG12 ILE 24 1HG1 ILE 24 -0.950 -17.102 -5.224 149 HG13 ILE 24 2HG1 ILE 24 -1.145 -16.455 -3.596 150 HG21 ILE 24 1HG2 ILE 24 -4.338 -17.337 -6.215 151 HG22 ILE 24 2HG2 ILE 24 -3.645 -18.781 -5.479 152 HG23 ILE 24 3HG2 ILE 24 -2.659 -17.773 -6.541 153 HD11 ILE 24 3HD1 ILE 24 -0.278 -18.877 -3.813 154 HD12 ILE 24 1HD1 ILE 24 -1.932 -19.293 -4.258 155 HD13 ILE 24 2HD1 ILE 24 -1.596 -18.587 -2.677 156 H ILE 25 H ILE 25 -1.316 -13.778 -5.093 157 HA ILE 25 HA ILE 25 -1.356 -13.611 -8.024 158 HB ILE 25 HB ILE 25 0.466 -12.367 -5.944 159 HG12 ILE 25 1HG1 ILE 25 -1.722 -11.084 -7.597 160 HG13 ILE 25 2HG1 ILE 25 -1.995 -11.714 -5.974 161 HG21 ILE 25 1HG2 ILE 25 1.700 -12.390 -7.975 162 HG22 ILE 25 2HG2 ILE 25 0.961 -10.790 -7.918 163 HG23 ILE 25 3HG2 ILE 25 0.266 -12.046 -8.943 164 HD11 ILE 25 3HD1 ILE 25 -1.522 -9.310 -5.873 165 HD12 ILE 25 1HD1 ILE 25 -0.003 -9.555 -6.734 166 HD13 ILE 25 2HD1 ILE 25 -0.213 -10.214 -5.111 167 H ARG 26 H ARG 26 1.473 -13.992 -5.900 168 HA ARG 26 HA ARG 26 2.234 -16.514 -7.203 169 HB2 ARG 26 1HB ARG 26 2.985 -14.770 -8.814 170 HB3 ARG 26 2HB ARG 26 3.939 -14.027 -7.533 171 HG2 ARG 26 1HG ARG 26 5.271 -16.068 -7.306 172 HG3 ARG 26 2HG ARG 26 4.285 -16.870 -8.529 173 HD2 ARG 26 1HD ARG 26 4.962 -15.097 -10.164 174 HD3 ARG 26 2HD ARG 26 6.053 -14.442 -8.943 175 HE ARG 26 HE ARG 26 6.624 -17.214 -9.256 176 HH11 ARG 26 1HH2 ARG 26 6.790 -14.214 -10.964 177 HH12 ARG 26 2HH2 ARG 26 8.163 -14.684 -11.908 178 HH21 ARG 26 1HH1 ARG 26 8.407 -17.830 -10.480 179 HH22 ARG 26 2HH1 ARG 26 9.076 -16.727 -11.636 180 H GLU 27 H GLU 27 2.508 -14.122 -4.767 181 HA GLU 27 HA GLU 27 3.542 -14.104 -2.669 182 HB2 GLU 27 1HB GLU 27 3.472 -17.097 -3.170 183 HB3 GLU 27 2HB GLU 27 3.925 -16.365 -1.632 184 HG2 GLU 27 1HG GLU 27 1.744 -15.279 -1.466 185 HG3 GLU 27 2HG GLU 27 1.285 -15.908 -3.048 186 H GLY 28 H GLY 28 5.607 -14.440 -1.557 187 HA2 GLY 28 1HA GLY 28 7.916 -15.385 -1.687 188 HA3 GLY 28 2HA GLY 28 7.871 -15.093 -3.421 189 H ASP 29 H ASP 29 9.927 -13.961 -2.781 190 HA ASP 29 HA ASP 29 9.834 -11.454 -1.340 191 HB2 ASP 29 1HB ASP 29 11.824 -12.662 -3.278 192 HB3 ASP 29 2HB ASP 29 12.081 -11.099 -2.503 193 H ASP 30 H ASP 30 8.921 -12.440 -4.483 194 HA ASP 30 HA ASP 30 9.215 -9.791 -5.723 195 HB2 ASP 30 1HB ASP 30 7.848 -12.342 -6.638 196 HB3 ASP 30 2HB ASP 30 7.963 -10.881 -7.618 197 H VAL 31 H VAL 31 7.220 -11.035 -3.442 198 HA VAL 31 HA VAL 31 4.950 -9.243 -4.223 199 HB VAL 31 HB VAL 31 4.847 -11.979 -2.943 200 HG11 VAL 31 1HG1 VAL 31 3.293 -10.703 -1.668 201 HG12 VAL 31 2HG1 VAL 31 2.314 -11.464 -2.923 202 HG13 VAL 31 3HG1 VAL 31 2.783 -9.769 -3.074 203 HG21 VAL 31 3HG2 VAL 31 4.895 -12.001 -5.373 204 HG22 VAL 31 1HG2 VAL 31 3.654 -10.752 -5.449 205 HG23 VAL 31 2HG2 VAL 31 3.250 -12.359 -4.849 206 H ALA 32 H ALA 32 4.333 -7.818 -2.689 207 HA ALA 32 HA ALA 32 5.699 -7.979 -0.027 208 HB1 ALA 32 3HB ALA 32 6.305 -6.028 -1.454 209 HB2 ALA 32 1HB ALA 32 5.511 -5.543 0.046 210 HB3 ALA 32 2HB ALA 32 4.609 -5.549 -1.470 211 H GLU 33 H GLU 33 4.485 -7.300 1.818 212 HA GLU 33 HA GLU 33 1.545 -7.779 1.530 213 HB2 GLU 33 1HB GLU 33 2.803 -9.346 2.993 214 HB3 GLU 33 2HB GLU 33 3.308 -7.980 3.989 215 HG2 GLU 33 1HG GLU 33 0.959 -7.461 4.500 216 HG3 GLU 33 2HG GLU 33 0.432 -8.789 3.467 217 H VAL 34 H VAL 34 0.270 -6.053 1.755 218 HA VAL 34 HA VAL 34 1.194 -3.763 3.457 219 HB VAL 34 HB VAL 34 -0.180 -3.684 0.758 220 HG11 VAL 34 1HG1 VAL 34 -0.038 -1.138 1.208 221 HG12 VAL 34 2HG1 VAL 34 0.138 -1.579 2.907 222 HG13 VAL 34 3HG1 VAL 34 -1.320 -2.031 2.026 223 HG21 VAL 34 3HG2 VAL 34 2.376 -3.877 0.991 224 HG22 VAL 34 1HG2 VAL 34 2.322 -2.261 1.695 225 HG23 VAL 34 2HG2 VAL 34 1.775 -2.520 0.039 226 H SER 35 H SER 35 -0.250 -3.119 4.934 227 HA SER 35 HA SER 35 -3.131 -3.691 4.582 228 HB2 SER 35 1HB SER 35 -2.334 -5.702 5.718 229 HB3 SER 35 2HB SER 35 -1.509 -4.720 6.926 230 HG SER 35 HG SER 35 -4.300 -4.658 6.396 231 H LEU 36 H LEU 36 -4.390 -2.185 5.632 232 HA LEU 36 HA LEU 36 -3.012 -0.221 7.429 233 HB2 LEU 36 1HB LEU 36 -4.958 0.397 5.193 234 HB3 LEU 36 2HB LEU 36 -4.346 1.568 6.360 235 HG LEU 36 HG LEU 36 -1.975 0.537 5.494 236 HD11 LEU 36 1HD1 LEU 36 -1.988 -0.016 3.193 237 HD12 LEU 36 2HD1 LEU 36 -3.635 0.574 2.972 238 HD13 LEU 36 3HD1 LEU 36 -3.345 -0.917 3.866 239 HD21 LEU 36 3HD2 LEU 36 -1.945 2.480 3.856 240 HD22 LEU 36 1HD2 LEU 36 -2.396 2.891 5.509 241 HD23 LEU 36 2HD2 LEU 36 -3.637 2.749 4.264 242 H PHE 37 H PHE 37 -4.326 0.735 8.983 243 HA PHE 37 HA PHE 37 -7.109 -0.257 9.271 244 HB2 PHE 37 1HB PHE 37 -6.635 -0.808 11.678 245 HB3 PHE 37 2HB PHE 37 -5.822 -1.880 10.537 246 HD1 PHE 37 HD2 PHE 37 -5.348 1.049 12.782 247 HD2 PHE 37 HD1 PHE 37 -3.437 -1.946 10.367 248 HE1 PHE 37 HE2 PHE 37 -3.150 1.666 13.756 249 HE2 PHE 37 HE1 PHE 37 -1.240 -1.328 11.340 250 HZ PHE 37 HZ PHE 37 -1.097 0.477 13.035 251 H GLY 38 H GLY 38 -8.310 0.958 10.873 252 HA2 GLY 38 1HA GLY 38 -8.360 2.860 12.468 253 HA3 GLY 38 2HA GLY 38 -7.145 3.661 11.472 254 H SER 39 H SER 39 -9.732 4.664 12.238 255 HA SER 39 HA SER 39 -11.588 5.746 11.326 256 HB2 SER 39 1HB SER 39 -9.983 7.048 10.131 257 HB3 SER 39 2HB SER 39 -9.664 5.740 8.996 258 HG SER 39 HG SER 39 -11.332 7.657 8.638 259 H ASP 40 H ASP 40 -12.826 5.725 8.926 260 HA ASP 40 HA ASP 40 -13.979 3.025 8.868 261 HB2 ASP 40 1HB ASP 40 -15.673 4.032 7.403 262 HB3 ASP 40 2HB ASP 40 -15.440 5.018 8.846 263 H LYS 41 H LYS 41 -14.652 2.343 6.500 264 HA LYS 41 HA LYS 41 -12.273 1.531 5.157 265 HB2 LYS 41 1HB LYS 41 -14.492 0.371 5.025 266 HB3 LYS 41 2HB LYS 41 -15.076 1.696 4.017 267 HG2 LYS 41 1HG LYS 41 -13.349 1.229 2.349 268 HG3 LYS 41 2HG LYS 41 -12.685 -0.050 3.364 269 HD2 LYS 41 1HD LYS 41 -14.826 -1.279 3.201 270 HD3 LYS 41 2HD LYS 41 -15.473 -0.009 2.165 271 HE2 LYS 41 1HE LYS 41 -13.707 -0.445 0.509 272 HE3 LYS 41 2HE LYS 41 -13.028 -1.695 1.550 273 HZ1 LYS 41 3HZ LYS 41 -14.426 -3.123 0.634 274 HZ2 LYS 41 1HZ LYS 41 -15.153 -1.899 -0.288 275 HZ3 LYS 41 2HZ LYS 41 -15.735 -2.247 1.270 276 H ALA 42 H ALA 42 -14.534 4.182 4.510 277 HA ALA 42 HA ALA 42 -13.620 5.020 1.985 278 HB1 ALA 42 3HB ALA 42 -14.314 7.339 2.773 279 HB2 ALA 42 1HB ALA 42 -14.604 6.621 4.357 280 HB3 ALA 42 2HB ALA 42 -15.543 6.087 2.964 281 H HIS 43 H HIS 43 -12.301 5.793 5.193 282 HA HIS 43 HA HIS 43 -10.251 7.577 4.242 283 HB2 HIS 43 1HB HIS 43 -10.974 7.509 6.603 284 HB3 HIS 43 2HB HIS 43 -10.328 5.875 6.751 285 HD1 HIS 43 HD1 HIS 43 -9.093 9.376 5.858 286 HD2 HIS 43 HD2 HIS 43 -7.662 5.812 7.480 287 HE1 HIS 43 HE1 HIS 43 -6.700 9.818 6.561 288 H LEU 44 H LEU 44 -10.318 4.089 4.901 289 HA LEU 44 HA LEU 44 -7.539 3.580 4.417 290 HB2 LEU 44 1HB LEU 44 -9.946 1.778 4.003 291 HB3 LEU 44 2HB LEU 44 -8.270 1.231 4.010 292 HG LEU 44 HG LEU 44 -9.652 2.621 6.328 293 HD11 LEU 44 1HD1 LEU 44 -10.397 0.223 5.695 294 HD12 LEU 44 2HD1 LEU 44 -9.897 0.509 7.362 295 HD13 LEU 44 3HD1 LEU 44 -8.791 -0.270 6.234 296 HD21 LEU 44 3HD2 LEU 44 -7.528 1.524 7.483 297 HD22 LEU 44 1HD2 LEU 44 -7.380 3.074 6.659 298 HD23 LEU 44 2HD2 LEU 44 -6.860 1.596 5.852 299 H GLU 45 H GLU 45 -10.355 3.660 2.282 300 HA GLU 45 HA GLU 45 -9.083 2.728 -0.093 301 HB2 GLU 45 1HB GLU 45 -11.403 4.631 0.326 302 HB3 GLU 45 2HB GLU 45 -10.926 4.021 -1.260 303 HG2 GLU 45 1HG GLU 45 -11.292 1.720 -0.516 304 HG3 GLU 45 2HG GLU 45 -11.681 2.285 1.108 305 H GLY 46 H GLY 46 -9.357 5.971 1.305 306 HA2 GLY 46 1HA GLY 46 -8.234 7.442 -0.863 307 HA3 GLY 46 2HA GLY 46 -8.187 7.944 0.826 308 H LYS 47 H LYS 47 -6.665 6.043 2.012 309 HA LYS 47 HA LYS 47 -3.995 6.773 1.244 310 HB2 LYS 47 1HB LYS 47 -5.033 4.582 3.061 311 HB3 LYS 47 2HB LYS 47 -3.327 5.004 2.903 312 HG2 LYS 47 1HG LYS 47 -3.815 7.303 3.629 313 HG3 LYS 47 2HG LYS 47 -5.529 6.912 3.743 314 HD2 LYS 47 1HD LYS 47 -4.802 6.685 5.967 315 HD3 LYS 47 2HD LYS 47 -4.762 5.026 5.376 316 HE2 LYS 47 1HE LYS 47 -2.364 5.160 4.999 317 HE3 LYS 47 2HE LYS 47 -2.358 6.879 5.386 318 HZ1 LYS 47 3HZ LYS 47 -3.404 6.043 7.594 319 HZ2 LYS 47 1HZ LYS 47 -1.725 5.964 7.364 320 HZ3 LYS 47 2HZ LYS 47 -2.675 4.569 7.167 321 H LEU 48 H LEU 48 -5.983 3.915 0.656 322 HA LEU 48 HA LEU 48 -3.926 2.296 -0.453 323 HB2 LEU 48 1HB LEU 48 -6.479 1.790 0.173 324 HB3 LEU 48 2HB LEU 48 -6.715 2.104 -1.544 325 HG LEU 48 HG LEU 48 -6.334 -0.279 -1.234 326 HD11 LEU 48 1HD1 LEU 48 -3.708 0.781 -2.263 327 HD12 LEU 48 2HD1 LEU 48 -5.205 1.070 -3.147 328 HD13 LEU 48 3HD1 LEU 48 -4.654 -0.581 -2.861 329 HD21 LEU 48 3HD2 LEU 48 -4.782 -1.172 0.196 330 HD22 LEU 48 1HD2 LEU 48 -4.751 0.436 0.916 331 HD23 LEU 48 2HD2 LEU 48 -3.535 -0.019 -0.275 332 H ALA 49 H ALA 49 -6.177 4.570 -1.995 333 HA ALA 49 HA ALA 49 -5.325 4.110 -4.680 334 HB1 ALA 49 3HB ALA 49 -6.256 6.763 -3.573 335 HB2 ALA 49 1HB ALA 49 -7.365 5.432 -3.891 336 HB3 ALA 49 2HB ALA 49 -6.453 6.155 -5.218 337 H GLU 50 H GLU 50 -4.169 6.381 -2.198 338 HA GLU 50 HA GLU 50 -2.222 7.661 -3.884 339 HB2 GLU 50 1HB GLU 50 -3.155 8.575 -1.708 340 HB3 GLU 50 2HB GLU 50 -2.168 7.380 -0.866 341 HG2 GLU 50 1HG GLU 50 -0.144 8.303 -1.820 342 HG3 GLU 50 2HG GLU 50 -1.081 9.424 -2.804 343 H TYR 51 H TYR 51 -2.177 4.882 -1.710 344 HA TYR 51 HA TYR 51 0.644 4.420 -1.685 345 HB2 TYR 51 1HB TYR 51 -1.796 2.737 -1.222 346 HB3 TYR 51 2HB TYR 51 -0.242 1.925 -1.364 347 HD1 TYR 51 HD2 TYR 51 -0.808 5.321 0.082 348 HD2 TYR 51 HD1 TYR 51 0.039 1.185 0.879 349 HE1 TYR 51 HE2 TYR 51 -0.269 5.884 2.425 350 HE2 TYR 51 HE1 TYR 51 0.577 1.753 3.230 351 HH TYR 51 HH TYR 51 0.563 5.131 4.346 352 H ILE 52 H ILE 52 -1.912 3.249 -3.846 353 HA ILE 52 HA ILE 52 -0.245 1.575 -5.459 354 HB ILE 52 HB ILE 52 -2.820 3.042 -6.100 355 HG12 ILE 52 1HG1 ILE 52 -2.405 0.080 -5.653 356 HG13 ILE 52 2HG1 ILE 52 -2.718 1.179 -4.312 357 HG21 ILE 52 1HG2 ILE 52 -1.826 2.621 -8.217 358 HG22 ILE 52 2HG2 ILE 52 -2.922 1.263 -7.964 359 HG23 ILE 52 3HG2 ILE 52 -1.191 1.060 -7.698 360 HD11 ILE 52 3HD1 ILE 52 -4.501 0.921 -6.749 361 HD12 ILE 52 1HD1 ILE 52 -4.831 1.865 -5.296 362 HD13 ILE 52 2HD1 ILE 52 -4.794 0.102 -5.214 363 H SER 53 H SER 53 -1.197 4.984 -5.777 364 HA SER 53 HA SER 53 0.059 5.480 -8.284 365 HB2 SER 53 1HB SER 53 0.002 7.864 -7.597 366 HB3 SER 53 2HB SER 53 -1.529 7.055 -7.267 367 HG SER 53 HG SER 53 -0.920 6.866 -5.116 368 H LEU 54 H LEU 54 1.329 5.717 -4.975 369 HA LEU 54 HA LEU 54 3.900 6.770 -5.705 370 HB2 LEU 54 1HB LEU 54 3.006 5.105 -3.337 371 HB3 LEU 54 2HB LEU 54 4.603 5.845 -3.462 372 HG LEU 54 HG LEU 54 2.003 7.390 -3.650 373 HD11 LEU 54 1HD1 LEU 54 2.475 8.136 -1.344 374 HD12 LEU 54 2HD1 LEU 54 3.859 7.046 -1.277 375 HD13 LEU 54 3HD1 LEU 54 2.227 6.392 -1.415 376 HD21 LEU 54 3HD2 LEU 54 3.595 8.780 -4.634 377 HD22 LEU 54 1HD2 LEU 54 4.923 8.123 -3.677 378 HD23 LEU 54 2HD2 LEU 54 3.777 9.249 -2.948 379 H ALA 55 H ALA 55 2.704 3.470 -5.260 380 HA ALA 55 HA ALA 55 5.223 2.170 -5.745 381 HB1 ALA 55 3HB ALA 55 3.983 0.154 -5.793 382 HB2 ALA 55 1HB ALA 55 2.529 0.963 -6.380 383 HB3 ALA 55 2HB ALA 55 3.055 1.195 -4.715 384 H LYS 56 H LYS 56 2.568 3.194 -7.842 385 HA LYS 56 HA LYS 56 3.439 1.904 -10.230 386 HB2 LYS 56 1HB LYS 56 1.191 2.971 -9.878 387 HB3 LYS 56 2HB LYS 56 1.980 4.547 -9.976 388 HG2 LYS 56 1HG LYS 56 2.784 4.027 -12.229 389 HG3 LYS 56 2HG LYS 56 2.046 2.430 -12.135 390 HD2 LYS 56 1HD LYS 56 -0.180 3.460 -11.905 391 HD3 LYS 56 2HD LYS 56 0.549 5.065 -11.982 392 HE2 LYS 56 1HE LYS 56 -0.407 4.212 -14.176 393 HE3 LYS 56 2HE LYS 56 1.282 4.715 -14.241 394 HZ1 LYS 56 3HZ LYS 56 1.985 2.624 -14.573 395 HZ2 LYS 56 1HZ LYS 56 0.404 2.364 -15.128 396 HZ3 LYS 56 2HZ LYS 56 0.825 1.940 -13.538 397 H GLN 57 H GLN 57 4.121 5.135 -8.902 398 HA GLN 57 HA GLN 57 5.757 6.015 -11.098 399 HB2 GLN 57 1HB GLN 57 5.670 6.846 -8.183 400 HB3 GLN 57 2HB GLN 57 6.632 7.679 -9.406 401 HG2 GLN 57 1HG GLN 57 4.609 8.153 -10.707 402 HG3 GLN 57 2HG GLN 57 3.631 7.266 -9.540 403 HE21 GLN 57 2HE2 GLN 57 2.434 8.876 -8.481 404 HE22 GLN 57 1HE2 GLN 57 3.106 10.266 -7.776 405 H VAL 58 H VAL 58 6.529 4.488 -7.985 406 HA VAL 58 HA VAL 58 9.378 4.458 -8.343 407 HB VAL 58 HB VAL 58 7.551 2.663 -6.725 408 HG11 VAL 58 1HG1 VAL 58 9.583 1.447 -6.996 409 HG12 VAL 58 2HG1 VAL 58 9.724 2.246 -5.430 410 HG13 VAL 58 3HG1 VAL 58 10.563 2.904 -6.834 411 HG21 VAL 58 3HG2 VAL 58 8.070 4.098 -4.885 412 HG22 VAL 58 1HG2 VAL 58 7.668 5.168 -6.227 413 HG23 VAL 58 2HG2 VAL 58 9.355 4.903 -5.787 414 H TYR 59 H TYR 59 6.853 2.048 -9.027 415 HA TYR 59 HA TYR 59 8.802 0.629 -10.817 416 HB2 TYR 59 1HB TYR 59 8.356 -0.692 -8.785 417 HB3 TYR 59 2HB TYR 59 6.624 -0.613 -9.113 418 HD1 TYR 59 HD2 TYR 59 9.874 -1.681 -10.622 419 HD2 TYR 59 HD1 TYR 59 5.615 -2.200 -10.536 420 HE1 TYR 59 HE2 TYR 59 10.083 -3.626 -12.144 421 HE2 TYR 59 HE1 TYR 59 5.819 -4.147 -12.060 422 HH TYR 59 HH TYR 59 7.576 -5.820 -12.672 423 H ALA 60 H ALA 60 8.164 0.511 -12.855 424 HA ALA 60 HA ALA 60 5.725 1.682 -13.790 425 HB1 ALA 60 3HB ALA 60 7.570 -0.201 -15.276 426 HB2 ALA 60 1HB ALA 60 7.848 1.531 -15.099 427 HB3 ALA 60 2HB ALA 60 6.440 0.950 -15.992 428 H ASN 61 H ASN 61 3.905 0.737 -14.706 429 HA ASN 61 HA ASN 61 2.097 -0.746 -14.578 430 HB2 ASN 61 1HB ASN 61 2.633 -2.979 -15.619 431 HB3 ASN 61 2HB ASN 61 3.164 -1.589 -16.562 432 HD21 ASN 61 2HD2 ASN 61 4.235 -4.455 -14.939 433 HD22 ASN 61 1HD2 ASN 61 5.897 -4.229 -15.193 434 H VAL 62 H VAL 62 2.395 -0.449 -12.133 435 HA VAL 62 HA VAL 62 3.384 -2.821 -10.701 436 HB VAL 62 HB VAL 62 3.659 -0.506 -9.786 437 HG11 VAL 62 1HG1 VAL 62 0.705 -0.633 -9.151 438 HG12 VAL 62 2HG1 VAL 62 1.310 0.188 -10.590 439 HG13 VAL 62 3HG1 VAL 62 1.801 0.739 -8.989 440 HG21 VAL 62 3HG2 VAL 62 3.027 -1.109 -7.496 441 HG22 VAL 62 1HG2 VAL 62 3.679 -2.520 -8.330 442 HG23 VAL 62 2HG2 VAL 62 1.938 -2.354 -8.105 443 H GLU 63 H GLU 63 2.136 -4.425 -9.883 444 HA GLU 63 HA GLU 63 -0.814 -4.291 -10.412 445 HB2 GLU 63 1HB GLU 63 1.101 -6.630 -10.302 446 HB3 GLU 63 2HB GLU 63 -0.652 -6.807 -10.387 447 HG2 GLU 63 1HG GLU 63 -0.709 -5.556 -12.486 448 HG3 GLU 63 2HG GLU 63 1.029 -5.278 -12.393 449 H TYR 64 H TYR 64 -2.227 -4.899 -8.797 450 HA TYR 64 HA TYR 64 -1.162 -5.797 -6.188 451 HB2 TYR 64 1HB TYR 64 -2.337 -3.966 -4.988 452 HB3 TYR 64 2HB TYR 64 -1.023 -3.370 -6.001 453 HD1 TYR 64 HD1 TYR 64 -1.486 -2.149 -8.082 454 HD2 TYR 64 HD2 TYR 64 -4.675 -3.550 -5.566 455 HE1 TYR 64 HE1 TYR 64 -3.082 -0.676 -9.282 456 HE2 TYR 64 HE2 TYR 64 -6.269 -2.078 -6.768 457 HH TYR 64 HH TYR 64 -5.235 0.384 -8.918 458 H GLU 65 H GLU 65 -2.893 -6.389 -4.704 459 HA GLU 65 HA GLU 65 -5.571 -6.825 -5.932 460 HB2 GLU 65 1HB GLU 65 -3.784 -8.965 -4.737 461 HB3 GLU 65 2HB GLU 65 -5.507 -9.193 -5.032 462 HG2 GLU 65 1HG GLU 65 -3.495 -8.417 -7.163 463 HG3 GLU 65 2HG GLU 65 -4.070 -10.060 -6.889 464 H VAL 66 H VAL 66 -7.228 -6.910 -4.401 465 HA VAL 66 HA VAL 66 -6.438 -6.471 -1.540 466 HB VAL 66 HB VAL 66 -7.129 -4.342 -2.557 467 HG11 VAL 66 1HG1 VAL 66 -9.252 -4.030 -3.571 468 HG12 VAL 66 2HG1 VAL 66 -9.858 -5.575 -2.977 469 HG13 VAL 66 3HG1 VAL 66 -8.652 -5.537 -4.262 470 HG21 VAL 66 3HG2 VAL 66 -7.714 -4.994 -0.172 471 HG22 VAL 66 1HG2 VAL 66 -9.324 -5.408 -0.764 472 HG23 VAL 66 2HG2 VAL 66 -8.743 -3.747 -0.879 473 H ALA 67 H ALA 67 -7.434 -7.746 -0.122 474 HA ALA 67 HA ALA 67 -9.312 -9.743 -1.087 475 HB1 ALA 67 3HB ALA 67 -8.685 -10.912 0.783 476 HB2 ALA 67 1HB ALA 67 -8.956 -9.527 1.846 477 HB3 ALA 67 2HB ALA 67 -7.448 -9.669 0.949 478 HA PRO 68 HA PRO 68 -13.251 -8.037 -0.037 479 HB2 PRO 68 1HB PRO 68 -13.584 -10.107 2.111 480 HB3 PRO 68 2HB PRO 68 -14.670 -9.692 0.768 481 HG2 PRO 68 1HG PRO 68 -13.188 -11.890 0.680 482 HG3 PRO 68 2HG PRO 68 -13.443 -10.904 -0.770 483 HD2 PRO 68 1HD PRO 68 -11.005 -11.111 0.959 484 HD3 PRO 68 2HD PRO 68 -11.139 -10.884 -0.798 485 H VAL 69 H VAL 69 -13.657 -6.224 1.114 486 HA VAL 69 HA VAL 69 -12.912 -6.122 4.011 487 HB VAL 69 HB VAL 69 -12.390 -4.007 1.910 488 HG11 VAL 69 1HG1 VAL 69 -12.361 -3.902 4.927 489 HG12 VAL 69 2HG1 VAL 69 -13.187 -2.820 3.810 490 HG13 VAL 69 3HG1 VAL 69 -11.431 -2.769 3.947 491 HG21 VAL 69 3HG2 VAL 69 -10.764 -5.987 2.326 492 HG22 VAL 69 1HG2 VAL 69 -10.443 -5.217 3.880 493 HG23 VAL 69 2HG2 VAL 69 -10.097 -4.358 2.380 494 H ALA 70 H ALA 70 -14.503 -5.347 5.273 495 HA ALA 70 HA ALA 70 -17.069 -4.630 4.054 496 HB1 ALA 70 3HB ALA 70 -16.451 -4.485 7.002 497 HB2 ALA 70 1HB ALA 70 -16.658 -6.040 6.199 498 HB3 ALA 70 2HB ALA 70 -17.980 -4.873 6.211 499 H ASP 71 H ASP 71 -18.204 -2.653 4.602 500 HA ASP 71 HA ASP 71 -16.642 -0.276 4.253 501 HB2 ASP 71 1HB ASP 71 -19.096 -0.624 3.662 502 HB3 ASP 71 2HB ASP 71 -19.445 -0.423 5.379 503 H ASN 72 H ASN 72 -18.064 -1.812 7.100 504 HA ASN 72 HA ASN 72 -17.050 0.343 8.865 505 HB2 ASN 72 1HB ASN 72 -18.652 -2.173 9.419 506 HB3 ASN 72 2HB ASN 72 -18.206 -0.989 10.648 507 HD21 ASN 72 2HD2 ASN 72 -18.555 1.235 8.532 508 HD22 ASN 72 1HD2 ASN 72 -20.235 1.450 8.442 509 H ALA 73 H ALA 73 -15.498 -1.971 7.351 510 HA ALA 73 HA ALA 73 -14.290 -3.599 9.375 511 HB1 ALA 73 3HB ALA 73 -12.890 -2.725 6.850 512 HB2 ALA 73 1HB ALA 73 -14.205 -3.897 6.822 513 HB3 ALA 73 2HB ALA 73 -12.728 -4.253 7.717 514 H THR 74 H THR 74 -12.357 -3.363 10.507 515 HA THR 74 HA THR 74 -11.382 -0.561 10.802 516 HB THR 74 HB THR 74 -11.843 -1.242 12.965 517 HG1 THR 74 HG1 THR 74 -9.336 -2.493 12.547 518 HG21 THR 74 3HG2 THR 74 -12.760 -3.416 12.427 519 HG22 THR 74 1HG2 THR 74 -11.581 -3.630 13.720 520 HG23 THR 74 2HG2 THR 74 -11.157 -4.054 12.061 521 H GLU 75 H GLU 75 -10.544 -3.373 9.187 522 HA GLU 75 HA GLU 75 -7.742 -2.420 8.920 523 HB2 GLU 75 1HB GLU 75 -7.671 -4.182 10.654 524 HB3 GLU 75 2HB GLU 75 -8.431 -5.305 9.524 525 HG2 GLU 75 1HG GLU 75 -6.535 -5.083 7.985 526 HG3 GLU 75 2HG GLU 75 -5.791 -3.883 9.041 527 H LEU 76 H LEU 76 -6.804 -2.927 6.946 528 HA LEU 76 HA LEU 76 -8.590 -4.240 4.929 529 HB2 LEU 76 1HB LEU 76 -8.635 -1.859 4.555 530 HB3 LEU 76 2HB LEU 76 -6.875 -1.768 4.625 531 HG LEU 76 HG LEU 76 -7.872 -3.737 2.639 532 HD11 LEU 76 1HD1 LEU 76 -8.582 -2.051 0.990 533 HD12 LEU 76 2HD1 LEU 76 -8.428 -0.789 2.213 534 HD13 LEU 76 3HD1 LEU 76 -9.645 -2.053 2.398 535 HD21 LEU 76 3HD2 LEU 76 -6.147 -2.753 1.267 536 HD22 LEU 76 1HD2 LEU 76 -5.502 -2.914 2.901 537 HD23 LEU 76 2HD2 LEU 76 -6.046 -1.340 2.314 538 H HIS 77 H HIS 77 -7.629 -5.748 3.692 539 HA HIS 77 HA HIS 77 -4.699 -6.219 4.087 540 HB2 HIS 77 1HB HIS 77 -6.905 -8.105 3.213 541 HB3 HIS 77 2HB HIS 77 -5.206 -8.543 3.405 542 HD1 HIS 77 HD1 HIS 77 -4.213 -8.142 5.907 543 HD2 HIS 77 HD2 HIS 77 -8.368 -8.240 5.574 544 HE1 HIS 77 HE1 HIS 77 -5.110 -8.521 8.245 545 H ALA 78 H ALA 78 -3.386 -5.980 2.379 546 HA ALA 78 HA ALA 78 -4.435 -6.275 -0.373 547 HB1 ALA 78 3HB ALA 78 -4.788 -3.954 -0.190 548 HB2 ALA 78 1HB ALA 78 -3.192 -4.059 -0.934 549 HB3 ALA 78 2HB ALA 78 -3.342 -3.719 0.791 550 H ARG 79 H ARG 79 -2.755 -6.579 -1.917 551 HA ARG 79 HA ARG 79 -0.019 -7.044 -0.794 552 HB2 ARG 79 1HB ARG 79 -1.580 -8.894 -2.622 553 HB3 ARG 79 2HB ARG 79 0.115 -9.106 -2.176 554 HG2 ARG 79 1HG ARG 79 -0.513 -9.262 0.197 555 HG3 ARG 79 2HG ARG 79 -2.207 -9.015 -0.225 556 HD2 ARG 79 1HD ARG 79 -1.820 -11.399 0.068 557 HD3 ARG 79 2HD ARG 79 -2.102 -11.078 -1.643 558 HE ARG 79 HE ARG 79 0.167 -11.626 -2.088 559 HH11 ARG 79 1HH2 ARG 79 -0.488 -11.356 1.298 560 HH12 ARG 79 2HH2 ARG 79 1.023 -12.057 1.771 561 HH21 ARG 79 1HH1 ARG 79 2.126 -12.543 -1.476 562 HH22 ARG 79 2HH1 ARG 79 2.500 -12.727 0.205 563 H PHE 80 H PHE 80 1.658 -6.729 -2.278 564 HA PHE 80 HA PHE 80 0.903 -5.521 -4.920 565 HB2 PHE 80 1HB PHE 80 2.901 -4.570 -2.860 566 HB3 PHE 80 2HB PHE 80 2.973 -4.055 -4.545 567 HD1 PHE 80 HD2 PHE 80 0.856 -4.071 -1.491 568 HD2 PHE 80 HD1 PHE 80 1.426 -2.472 -5.434 569 HE1 PHE 80 HE2 PHE 80 -0.902 -2.377 -1.057 570 HE2 PHE 80 HE1 PHE 80 -0.330 -0.779 -5.004 571 HZ PHE 80 HZ PHE 80 -1.495 -0.729 -2.816 572 H LYS 81 H LYS 81 2.385 -5.886 -6.598 573 HA LYS 81 HA LYS 81 4.304 -8.132 -6.119 574 HB2 LYS 81 1HB LYS 81 2.431 -8.629 -7.661 575 HB3 LYS 81 2HB LYS 81 2.942 -7.285 -8.684 576 HG2 LYS 81 1HG LYS 81 5.114 -8.357 -9.054 577 HG3 LYS 81 2HG LYS 81 4.665 -9.676 -7.973 578 HD2 LYS 81 1HD LYS 81 2.797 -10.269 -9.474 579 HD3 LYS 81 2HD LYS 81 3.256 -8.956 -10.560 580 HE2 LYS 81 1HE LYS 81 4.269 -10.883 -11.502 581 HE3 LYS 81 2HE LYS 81 5.579 -10.076 -10.642 582 HZ1 LYS 81 3HZ LYS 81 5.846 -12.091 -9.723 583 HZ2 LYS 81 1HZ LYS 81 4.265 -12.594 -10.074 584 HZ3 LYS 81 2HZ LYS 81 4.563 -11.619 -8.716 585 H PHE 82 H PHE 82 6.320 -7.378 -5.966 586 HA PHE 82 HA PHE 82 7.163 -5.084 -7.702 587 HB2 PHE 82 1HB PHE 82 8.134 -6.049 -5.009 588 HB3 PHE 82 2HB PHE 82 9.067 -4.928 -6.000 589 HD1 PHE 82 HD2 PHE 82 7.926 -2.780 -6.800 590 HD2 PHE 82 HD1 PHE 82 6.329 -5.262 -3.679 591 HE1 PHE 82 HE2 PHE 82 6.524 -0.892 -6.017 592 HE2 PHE 82 HE1 PHE 82 4.924 -3.374 -2.897 593 HZ PHE 82 HZ PHE 82 5.023 -1.188 -4.065 594 H GLU 83 H GLU 83 9.015 -5.286 -8.917 595 HA GLU 83 HA GLU 83 9.712 -7.908 -9.853 596 HB2 GLU 83 1HB GLU 83 9.895 -5.746 -11.158 597 HB3 GLU 83 2HB GLU 83 11.313 -5.359 -10.183 598 HG2 GLU 83 1HG GLU 83 12.110 -6.379 -12.213 599 HG3 GLU 83 2HG GLU 83 12.306 -7.570 -10.925 600 H VAL 84 H VAL 84 11.277 -5.659 -7.590 601 HA VAL 84 HA VAL 84 13.018 -7.921 -6.694 602 HB VAL 84 HB VAL 84 14.894 -6.261 -6.430 603 HG11 VAL 84 1HG1 VAL 84 15.542 -6.381 -8.782 604 HG12 VAL 84 2HG1 VAL 84 13.865 -6.651 -9.257 605 HG13 VAL 84 3HG1 VAL 84 14.725 -7.876 -8.324 606 HG21 VAL 84 3HG2 VAL 84 13.256 -4.571 -8.336 607 HG22 VAL 84 1HG2 VAL 84 14.786 -4.153 -7.565 608 HG23 VAL 84 2HG2 VAL 84 13.313 -4.258 -6.601 609 H SER 85 H SER 85 13.909 -7.599 -4.548 610 HA SER 85 HA SER 85 11.921 -6.652 -2.680 611 HB2 SER 85 1HB SER 85 14.757 -7.650 -2.377 612 HB3 SER 85 2HB SER 85 13.785 -7.158 -0.996 613 HG SER 85 HG SER 85 13.369 -9.267 -2.829 614 H ALA 86 H ALA 86 14.528 -5.124 -4.308 615 HA ALA 86 HA ALA 86 15.309 -3.157 -2.394 616 HB1 ALA 86 3HB ALA 86 16.602 -3.397 -4.414 617 HB2 ALA 86 1HB ALA 86 15.887 -1.785 -4.457 618 HB3 ALA 86 2HB ALA 86 15.187 -3.087 -5.417 619 H GLU 87 H GLU 87 12.698 -3.171 -4.796 620 HA GLU 87 HA GLU 87 11.769 -0.501 -4.180 621 HB2 GLU 87 1HB GLU 87 10.620 -2.872 -5.643 622 HB3 GLU 87 2HB GLU 87 9.609 -1.467 -5.312 623 HG2 GLU 87 1HG GLU 87 10.604 -1.208 -7.513 624 HG3 GLU 87 2HG GLU 87 11.338 -0.030 -6.424 625 H LYS 88 H LYS 88 11.040 -3.722 -2.961 626 HA LYS 88 HA LYS 88 8.685 -3.079 -1.484 627 HB2 LYS 88 1HB LYS 88 9.501 -5.404 -1.893 628 HB3 LYS 88 2HB LYS 88 10.832 -5.097 -0.776 629 HG2 LYS 88 1HG LYS 88 9.257 -4.697 1.051 630 HG3 LYS 88 2HG LYS 88 7.895 -4.901 -0.051 631 HD2 LYS 88 1HD LYS 88 8.596 -7.231 -0.482 632 HD3 LYS 88 2HD LYS 88 9.951 -7.026 0.629 633 HE2 LYS 88 1HE LYS 88 8.394 -6.572 2.475 634 HE3 LYS 88 2HE LYS 88 7.027 -6.729 1.378 635 HZ1 LYS 88 3HZ LYS 88 8.581 -8.998 1.045 636 HZ2 LYS 88 1HZ LYS 88 7.055 -8.895 1.779 637 HZ3 LYS 88 2HZ LYS 88 8.462 -8.753 2.722 638 H LEU 89 H LEU 89 12.112 -3.085 -0.504 639 HA LEU 89 HA LEU 89 11.635 -2.250 2.181 640 HB2 LEU 89 1HB LEU 89 13.806 -3.178 1.375 641 HB3 LEU 89 2HB LEU 89 14.068 -1.696 0.454 642 HG LEU 89 HG LEU 89 13.975 -0.385 2.563 643 HD11 LEU 89 1HD1 LEU 89 12.689 -1.533 4.113 644 HD12 LEU 89 2HD1 LEU 89 14.294 -1.983 4.678 645 HD13 LEU 89 3HD1 LEU 89 13.363 -3.103 3.680 646 HD21 LEU 89 3HD2 LEU 89 16.155 -1.029 3.387 647 HD22 LEU 89 1HD2 LEU 89 16.135 -1.310 1.645 648 HD23 LEU 89 2HD2 LEU 89 15.964 -2.667 2.760 649 H ILE 90 H ILE 90 12.392 -0.393 -0.750 650 HA ILE 90 HA ILE 90 12.373 2.187 0.508 651 HB ILE 90 HB ILE 90 11.882 1.330 -2.356 652 HG12 ILE 90 1HG1 ILE 90 14.297 2.662 -1.104 653 HG13 ILE 90 2HG1 ILE 90 14.146 0.914 -1.278 654 HG21 ILE 90 1HG2 ILE 90 12.462 3.773 -2.831 655 HG22 ILE 90 2HG2 ILE 90 12.162 4.077 -1.120 656 HG23 ILE 90 3HG2 ILE 90 10.861 3.481 -2.151 657 HD11 ILE 90 3HD1 ILE 90 13.951 1.129 -3.700 658 HD12 ILE 90 1HD1 ILE 90 15.407 1.967 -3.161 659 HD13 ILE 90 2HD1 ILE 90 13.960 2.888 -3.574 660 H PHE 91 H PHE 91 9.881 0.351 -1.217 661 HA PHE 91 HA PHE 91 7.819 2.322 -1.075 662 HB2 PHE 91 1HB PHE 91 7.806 0.249 -2.514 663 HB3 PHE 91 2HB PHE 91 7.470 -0.687 -1.058 664 HD1 PHE 91 HD2 PHE 91 6.225 2.377 -2.830 665 HD2 PHE 91 HD1 PHE 91 5.224 -1.109 -0.526 666 HE1 PHE 91 HE2 PHE 91 3.818 2.920 -3.052 667 HE2 PHE 91 HE1 PHE 91 2.814 -0.562 -0.748 668 HZ PHE 91 HZ PHE 91 2.112 1.452 -2.011 669 H GLU 92 H GLU 92 8.655 -0.369 1.077 670 HA GLU 92 HA GLU 92 6.516 -0.166 2.905 671 HB2 GLU 92 1HB GLU 92 8.340 -1.939 2.834 672 HB3 GLU 92 2HB GLU 92 9.379 -0.778 3.659 673 HG2 GLU 92 1HG GLU 92 8.404 -2.166 5.360 674 HG3 GLU 92 2HG GLU 92 7.595 -0.601 5.449 675 H LEU 93 H LEU 93 9.768 1.259 3.327 676 HA LEU 93 HA LEU 93 9.026 2.851 5.588 677 HB2 LEU 93 1HB LEU 93 11.327 2.856 3.654 678 HB3 LEU 93 2HB LEU 93 11.158 4.194 4.790 679 HG LEU 93 HG LEU 93 11.142 2.619 6.670 680 HD11 LEU 93 1HD1 LEU 93 11.736 0.202 6.142 681 HD12 LEU 93 2HD1 LEU 93 11.334 0.559 4.461 682 HD13 LEU 93 3HD1 LEU 93 10.097 0.691 5.712 683 HD21 LEU 93 3HD2 LEU 93 13.486 1.687 6.340 684 HD22 LEU 93 1HD2 LEU 93 13.320 3.418 6.052 685 HD23 LEU 93 2HD2 LEU 93 13.413 2.302 4.690 686 H LYS 94 H LYS 94 9.094 3.590 2.115 687 HA LYS 94 HA LYS 94 8.611 6.386 2.342 688 HB2 LYS 94 1HB LYS 94 9.279 5.217 0.251 689 HB3 LYS 94 2HB LYS 94 7.659 4.532 0.149 690 HG2 LYS 94 1HG LYS 94 6.704 6.821 0.077 691 HG3 LYS 94 2HG LYS 94 8.331 7.493 0.139 692 HD2 LYS 94 1HD LYS 94 7.488 5.544 -2.012 693 HD3 LYS 94 2HD LYS 94 7.251 7.281 -2.188 694 HE2 LYS 94 1HE LYS 94 9.745 7.540 -1.690 695 HE3 LYS 94 2HE LYS 94 9.870 5.793 -1.880 696 HZ1 LYS 94 3HZ LYS 94 8.671 7.548 -3.935 697 HZ2 LYS 94 1HZ LYS 94 9.142 5.927 -4.094 698 HZ3 LYS 94 2HZ LYS 94 10.319 7.138 -3.917 699 H THR 95 H THR 95 6.272 3.701 1.987 700 HA THR 95 HA THR 95 3.965 5.438 2.070 701 HB THR 95 HB THR 95 2.746 3.288 2.640 702 HG1 THR 95 HG1 THR 95 5.266 2.110 2.169 703 HG21 THR 95 3HG2 THR 95 3.141 4.105 0.314 704 HG22 THR 95 1HG2 THR 95 3.059 2.346 0.426 705 HG23 THR 95 2HG2 THR 95 4.623 3.148 0.270 706 H ARG 96 H ARG 96 5.711 3.584 4.532 707 HA ARG 96 HA ARG 96 3.926 4.166 6.705 708 HB2 ARG 96 1HB ARG 96 6.872 3.470 6.614 709 HB3 ARG 96 2HB ARG 96 5.982 3.659 8.125 710 HG2 ARG 96 1HG ARG 96 4.442 1.876 7.484 711 HG3 ARG 96 2HG ARG 96 5.225 1.730 5.908 712 HD2 ARG 96 1HD ARG 96 6.045 -0.028 7.409 713 HD3 ARG 96 2HD ARG 96 7.349 1.104 7.053 714 HE ARG 96 HE ARG 96 5.991 1.922 9.443 715 HH11 ARG 96 1HH2 ARG 96 8.125 -0.486 8.175 716 HH12 ARG 96 2HH2 ARG 96 8.900 -0.777 9.696 717 HH21 ARG 96 1HH1 ARG 96 6.996 1.542 11.422 718 HH22 ARG 96 2HH1 ARG 96 8.264 0.367 11.528 719 H ALA 97 H ALA 97 6.793 5.809 5.436 720 HA ALA 97 HA ALA 97 7.003 7.822 7.446 721 HB1 ALA 97 3HB ALA 97 8.137 9.142 5.580 722 HB2 ALA 97 1HB ALA 97 7.772 7.778 4.526 723 HB3 ALA 97 2HB ALA 97 8.829 7.556 5.919 724 H LEU 98 H LEU 98 5.069 7.612 4.508 725 HA LEU 98 HA LEU 98 4.112 10.299 4.485 726 HB2 LEU 98 1HB LEU 98 3.878 8.436 2.698 727 HB3 LEU 98 2HB LEU 98 2.465 7.926 3.615 728 HG LEU 98 HG LEU 98 2.861 10.758 2.606 729 HD11 LEU 98 1HD1 LEU 98 1.162 10.096 0.862 730 HD12 LEU 98 2HD1 LEU 98 1.433 8.418 1.329 731 HD13 LEU 98 3HD1 LEU 98 2.756 9.371 0.655 732 HD21 LEU 98 3HD2 LEU 98 0.699 9.313 4.095 733 HD22 LEU 98 1HD2 LEU 98 0.179 10.450 2.847 734 HD23 LEU 98 2HD2 LEU 98 1.191 11.002 4.177 735 H ALA 99 H ALA 99 2.806 7.354 5.968 736 HA ALA 99 HA ALA 99 0.468 8.598 7.098 737 HB1 ALA 99 3HB ALA 99 1.994 6.112 7.919 738 HB2 ALA 99 1HB ALA 99 0.608 6.173 6.832 739 HB3 ALA 99 2HB ALA 99 0.405 6.559 8.543 740 H ARG 100 H ARG 100 3.791 8.555 8.000 741 HA ARG 100 HA ARG 100 3.318 9.250 10.811 742 HB2 ARG 100 1HB ARG 100 5.785 9.110 9.069 743 HB3 ARG 100 2HB ARG 100 5.846 9.691 10.732 744 HG2 ARG 100 1HG ARG 100 4.896 7.562 11.523 745 HG3 ARG 100 2HG ARG 100 4.795 6.980 9.862 746 HD2 ARG 100 1HD ARG 100 7.242 7.150 9.644 747 HD3 ARG 100 2HD ARG 100 7.355 7.768 11.288 748 HE ARG 100 HE ARG 100 6.021 5.331 11.525 749 HH11 ARG 100 1HH2 ARG 100 9.020 6.478 10.244 750 HH12 ARG 100 2HH2 ARG 100 9.863 4.999 10.558 751 HH21 ARG 100 1HH1 ARG 100 7.113 3.406 11.935 752 HH22 ARG 100 2HH1 ARG 100 8.787 3.264 11.512 753 H LEU 101 H LEU 101 2.788 10.893 8.070 754 HA LEU 101 HA LEU 101 3.991 13.476 8.831 755 HB2 LEU 101 1HB LEU 101 2.030 12.749 6.625 756 HB3 LEU 101 2HB LEU 101 2.842 14.307 6.790 757 HG LEU 101 HG LEU 101 4.218 11.634 6.401 758 HD11 LEU 101 1HD1 LEU 101 3.044 12.411 4.373 759 HD12 LEU 101 2HD1 LEU 101 4.793 12.507 4.167 760 HD13 LEU 101 3HD1 LEU 101 3.864 13.968 4.497 761 HD21 LEU 101 3HD2 LEU 101 5.822 12.881 7.535 762 HD22 LEU 101 1HD2 LEU 101 5.203 14.421 6.942 763 HD23 LEU 101 2HD2 LEU 101 6.160 13.385 5.881 764 H GLU 102 H GLU 102 1.358 11.697 9.791 765 HA GLU 102 HA GLU 102 -0.757 13.584 9.919 766 HB2 GLU 102 1HB GLU 102 -0.054 11.289 11.768 767 HB3 GLU 102 2HB GLU 102 -1.577 12.177 11.841 768 HG2 GLU 102 1HG GLU 102 -0.559 10.775 9.353 769 HG3 GLU 102 2HG GLU 102 -1.698 10.053 10.489 770 H HIS 103 H HIS 103 -1.148 15.291 11.208 771 HA HIS 103 HA HIS 103 0.899 16.008 13.255 772 HB2 HIS 103 1HB HIS 103 0.428 17.634 11.429 773 HB3 HIS 103 2HB HIS 103 -1.252 17.710 11.958 774 HD1 HIS 103 HD1 HIS 103 -1.784 19.139 13.993 775 HD2 HIS 103 HD2 HIS 103 2.314 18.726 13.349 776 HE1 HIS 103 HE1 HIS 103 -0.642 20.733 15.597 777 H HIS 104 H HIS 104 -0.507 14.126 14.360 778 HA HIS 104 HA HIS 104 -2.569 15.490 16.061 779 HB2 HIS 104 1HB HIS 104 -2.560 12.676 14.936 780 HB3 HIS 104 2HB HIS 104 -3.606 13.170 16.267 781 HD1 HIS 104 HD1 HIS 104 -2.936 13.927 12.613 782 HD2 HIS 104 HD2 HIS 104 -5.841 14.685 15.505 783 HE1 HIS 104 HE1 HIS 104 -4.901 14.970 11.401 784 H HIS 105 H HIS 105 0.478 14.431 16.036 785 HA HIS 105 HA HIS 105 1.970 13.608 17.649 786 HB2 HIS 105 1HB HIS 105 -0.180 14.825 19.407 787 HB3 HIS 105 2HB HIS 105 1.364 14.233 20.025 788 HD1 HIS 105 HD1 HIS 105 -0.070 16.869 17.716 789 HD2 HIS 105 HD2 HIS 105 3.558 15.928 19.544 790 HE1 HIS 105 HE1 HIS 105 1.464 18.845 17.324 791 H HIS 106 H HIS 106 -0.717 12.072 16.908 792 HA HIS 106 HA HIS 106 -0.200 9.852 18.851 793 HB2 HIS 106 1HB HIS 106 -2.907 10.849 17.932 794 HB3 HIS 106 2HB HIS 106 -2.641 9.368 18.850 795 HD1 HIS 106 HD1 HIS 106 -1.078 9.877 21.145 796 HD2 HIS 106 HD2 HIS 106 -3.402 12.980 19.615 797 HE1 HIS 106 HE1 HIS 106 -1.345 11.560 23.018 798 H HIS 107 H HIS 107 -0.339 7.806 17.996 799 HA HIS 107 HA HIS 107 0.149 7.496 15.181 800 HB2 HIS 107 1HB HIS 107 -0.519 5.505 17.366 801 HB3 HIS 107 2HB HIS 107 -0.069 5.035 15.726 802 HD1 HIS 107 HD1 HIS 107 2.329 6.148 14.909 803 HD2 HIS 107 HD2 HIS 107 1.677 5.860 19.016 804 HE1 HIS 107 HE1 HIS 107 4.598 6.370 16.011 805 H HIS 108 H HIS 108 -2.712 7.000 17.217 806 HA HIS 108 HA HIS 108 -4.306 6.008 14.964 807 HB2 HIS 108 1HB HIS 108 -4.750 5.217 17.260 808 HB3 HIS 108 2HB HIS 108 -5.144 6.866 17.749 809 HD1 HIS 108 HD1 HIS 108 -6.321 4.232 15.265 810 HD2 HIS 108 HD2 HIS 108 -7.795 7.560 17.296 811 HE1 HIS 108 HE1 HIS 108 -8.795 4.351 14.742 Start of MODEL 10 1 H1 MET 1 1H MET 1 12.158 -13.453 -31.794 2 H2 MET 1 2H MET 1 11.027 -12.278 -31.320 3 H3 MET 1 3H MET 1 12.653 -11.847 -31.560 4 HA MET 1 HA MET 1 12.475 -11.780 -33.804 5 HB2 MET 1 1HB MET 1 11.875 -14.204 -33.909 6 HB3 MET 1 2HB MET 1 10.196 -13.774 -33.582 7 HG2 MET 1 1HG MET 1 10.129 -12.409 -35.626 8 HG3 MET 1 2HG MET 1 11.819 -12.796 -35.951 9 HE1 MET 1 3HE MET 1 12.402 -14.589 -37.642 10 HE2 MET 1 1HE MET 1 11.981 -16.252 -37.207 11 HE3 MET 1 2HE MET 1 12.709 -15.181 -36.012 12 H SER 2 H SER 2 9.147 -12.404 -32.689 13 HA SER 2 HA SER 2 7.223 -11.080 -32.813 14 HB2 SER 2 1HB SER 2 7.385 -9.012 -31.717 15 HB3 SER 2 2HB SER 2 8.782 -9.887 -31.095 16 HG SER 2 HG SER 2 10.012 -8.466 -32.012 17 H ASN 3 H ASN 3 8.065 -11.693 -35.279 18 HA ASN 3 HA ASN 3 8.677 -9.511 -37.030 19 HB2 ASN 3 1HB ASN 3 8.951 -11.866 -37.702 20 HB3 ASN 3 2HB ASN 3 7.211 -12.112 -37.581 21 HD21 ASN 3 2HD2 ASN 3 8.251 -12.660 -40.054 22 HD22 ASN 3 1HD2 ASN 3 7.895 -11.420 -41.157 23 H GLN 4 H GLN 4 5.607 -10.928 -35.958 24 HA GLN 4 HA GLN 4 3.944 -9.276 -37.644 25 HB2 GLN 4 1HB GLN 4 3.296 -10.757 -35.080 26 HB3 GLN 4 2HB GLN 4 2.100 -10.058 -36.169 27 HG2 GLN 4 1HG GLN 4 4.127 -12.170 -36.968 28 HG3 GLN 4 2HG GLN 4 2.446 -12.503 -36.558 29 HE21 GLN 4 2HE2 GLN 4 0.841 -12.073 -38.167 30 HE22 GLN 4 1HE2 GLN 4 1.216 -11.481 -39.713 31 H THR 5 H THR 5 3.374 -7.214 -37.380 32 HA THR 5 HA THR 5 4.370 -5.678 -35.115 33 HB THR 5 HB THR 5 3.370 -3.757 -36.284 34 HG1 THR 5 HG1 THR 5 1.588 -4.320 -37.268 35 HG21 THR 5 3HG2 THR 5 4.754 -5.700 -38.152 36 HG22 THR 5 1HG2 THR 5 5.560 -4.604 -37.030 37 HG23 THR 5 2HG2 THR 5 4.638 -3.957 -38.386 38 H CYS 6 H CYS 6 2.905 -4.183 -33.913 39 HA CYS 6 HA CYS 6 0.206 -5.384 -33.405 40 HB2 CYS 6 1HB CYS 6 0.544 -4.993 -31.003 41 HB3 CYS 6 2HB CYS 6 1.785 -6.073 -31.640 42 HG CYS 6 HG CYS 6 2.256 -3.146 -30.724 43 H VAL 7 H VAL 7 -1.382 -3.942 -33.509 44 HA VAL 7 HA VAL 7 -0.723 -1.070 -33.760 45 HB VAL 7 HB VAL 7 -3.285 -2.623 -34.214 46 HG11 VAL 7 1HG1 VAL 7 -2.636 0.323 -34.433 47 HG12 VAL 7 2HG1 VAL 7 -3.956 -0.433 -33.543 48 HG13 VAL 7 3HG1 VAL 7 -3.982 -0.410 -35.307 49 HG21 VAL 7 3HG2 VAL 7 -1.373 -2.910 -35.848 50 HG22 VAL 7 1HG2 VAL 7 -1.470 -1.180 -36.170 51 HG23 VAL 7 2HG2 VAL 7 -2.834 -2.227 -36.560 52 H GLU 8 H GLU 8 -1.107 0.377 -32.226 53 HA GLU 8 HA GLU 8 -1.569 1.215 -30.096 54 HB2 GLU 8 1HB GLU 8 -4.194 -0.092 -30.858 55 HB3 GLU 8 2HB GLU 8 -4.002 0.986 -29.473 56 HG2 GLU 8 1HG GLU 8 -3.232 2.790 -30.944 57 HG3 GLU 8 2HG GLU 8 -3.336 1.718 -32.342 58 H ASN 9 H ASN 9 -0.084 -0.128 -28.973 59 HA ASN 9 HA ASN 9 -1.071 -2.640 -27.770 60 HB2 ASN 9 1HB ASN 9 1.222 -2.849 -26.908 61 HB3 ASN 9 2HB ASN 9 1.259 -2.489 -28.632 62 HD21 ASN 9 2HD2 ASN 9 3.516 -1.637 -28.155 63 HD22 ASN 9 1HD2 ASN 9 3.676 -0.059 -27.553 64 H GLU 10 H GLU 10 -1.210 0.632 -27.070 65 HA GLU 10 HA GLU 10 -1.042 0.291 -24.122 66 HB2 GLU 10 1HB GLU 10 -1.689 2.864 -24.335 67 HB3 GLU 10 2HB GLU 10 -0.043 2.331 -24.673 68 HG2 GLU 10 1HG GLU 10 -2.112 2.452 -26.868 69 HG3 GLU 10 2HG GLU 10 -1.189 3.882 -26.407 70 H VAL 11 H VAL 11 -3.330 -0.073 -26.532 71 HA VAL 11 HA VAL 11 -5.635 1.094 -25.208 72 HB VAL 11 HB VAL 11 -5.468 0.622 -27.679 73 HG11 VAL 11 1HG1 VAL 11 -6.152 -2.228 -26.940 74 HG12 VAL 11 2HG1 VAL 11 -4.490 -1.723 -27.247 75 HG13 VAL 11 3HG1 VAL 11 -5.702 -1.583 -28.518 76 HG21 VAL 11 3HG2 VAL 11 -7.831 -0.283 -27.825 77 HG22 VAL 11 1HG2 VAL 11 -7.634 1.106 -26.756 78 HG23 VAL 11 2HG2 VAL 11 -7.772 -0.517 -26.079 79 H CYS 12 H CYS 12 -6.801 0.254 -23.592 80 HA CYS 12 HA CYS 12 -6.173 -2.496 -22.641 81 HB2 CYS 12 1HB CYS 12 -7.792 -0.324 -21.283 82 HB3 CYS 12 2HB CYS 12 -7.152 -1.791 -20.542 83 HG CYS 12 HG CYS 12 -4.881 -0.755 -20.401 84 H GLU 13 H GLU 13 -7.429 -3.493 -24.375 85 HA GLU 13 HA GLU 13 -10.320 -3.026 -24.469 86 HB2 GLU 13 1HB GLU 13 -8.970 -3.636 -26.492 87 HB3 GLU 13 2HB GLU 13 -8.698 -5.224 -25.779 88 HG2 GLU 13 1HG GLU 13 -10.567 -5.430 -27.287 89 HG3 GLU 13 2HG GLU 13 -11.212 -5.498 -25.649 90 H ALA 14 H ALA 14 -11.867 -4.217 -23.495 91 HA ALA 14 HA ALA 14 -11.075 -6.097 -21.396 92 HB1 ALA 14 3HB ALA 14 -13.521 -6.128 -20.896 93 HB2 ALA 14 1HB ALA 14 -13.790 -5.109 -22.310 94 HB3 ALA 14 2HB ALA 14 -12.857 -4.495 -20.947 95 H CYS 15 H CYS 15 -10.652 -8.149 -21.924 96 HA CYS 15 HA CYS 15 -12.581 -9.623 -23.649 97 HB2 CYS 15 1HB CYS 15 -9.572 -9.729 -23.996 98 HB3 CYS 15 2HB CYS 15 -10.754 -10.677 -24.897 99 HG CYS 15 HG CYS 15 -10.664 -7.553 -25.089 100 H GLY 16 H GLY 16 -12.530 -11.907 -23.302 101 HA2 GLY 16 1HA GLY 16 -11.955 -13.913 -22.154 102 HA3 GLY 16 2HA GLY 16 -10.883 -12.987 -21.101 103 H CYS 17 H CYS 17 -13.524 -11.159 -21.137 104 HA CYS 17 HA CYS 17 -14.993 -10.654 -19.360 105 HB2 CYS 17 1HB CYS 17 -15.826 -13.371 -20.380 106 HB3 CYS 17 2HB CYS 17 -16.782 -12.476 -19.197 107 HG CYS 17 HG CYS 17 -17.472 -11.887 -21.748 108 H ALA 18 H ALA 18 -13.861 -10.503 -17.471 109 HA ALA 18 HA ALA 18 -12.655 -12.585 -16.000 110 HB1 ALA 18 3HB ALA 18 -13.881 -9.990 -15.030 111 HB2 ALA 18 1HB ALA 18 -12.199 -10.256 -15.484 112 HB3 ALA 18 2HB ALA 18 -12.855 -11.031 -14.042 113 H GLY 19 H GLY 19 -13.370 -14.012 -14.489 114 HA2 GLY 19 1HA GLY 19 -15.987 -13.848 -13.249 115 HA3 GLY 19 2HA GLY 19 -15.934 -15.077 -14.517 116 H GLU 20 H GLU 20 -14.092 -14.002 -11.664 117 HA GLU 20 HA GLU 20 -12.894 -15.218 -10.066 118 HB2 GLU 20 1HB GLU 20 -14.991 -17.286 -10.811 119 HB3 GLU 20 2HB GLU 20 -13.919 -17.414 -9.417 120 HG2 GLU 20 1HG GLU 20 -15.831 -15.108 -9.908 121 HG3 GLU 20 2HG GLU 20 -16.157 -16.465 -8.830 122 H ILE 21 H ILE 21 -11.921 -15.245 -12.759 123 HA ILE 21 HA ILE 21 -11.084 -17.887 -13.542 124 HB ILE 21 HB ILE 21 -9.933 -15.154 -14.187 125 HG12 ILE 21 1HG1 ILE 21 -11.649 -16.984 -15.889 126 HG13 ILE 21 2HG1 ILE 21 -12.327 -15.705 -14.881 127 HG21 ILE 21 1HG2 ILE 21 -9.071 -16.565 -16.237 128 HG22 ILE 21 2HG2 ILE 21 -9.252 -17.934 -15.139 129 HG23 ILE 21 3HG2 ILE 21 -8.169 -16.607 -14.721 130 HD11 ILE 21 3HD1 ILE 21 -10.783 -14.086 -16.082 131 HD12 ILE 21 1HD1 ILE 21 -12.053 -14.786 -17.088 132 HD13 ILE 21 2HD1 ILE 21 -10.402 -15.395 -17.200 133 H GLY 22 H GLY 22 -10.357 -16.197 -10.836 134 HA2 GLY 22 1HA GLY 22 -8.828 -16.891 -9.143 135 HA3 GLY 22 2HA GLY 22 -7.912 -17.793 -10.354 136 H PHE 23 H PHE 23 -8.737 -14.451 -9.451 137 HA PHE 23 HA PHE 23 -6.374 -13.391 -10.828 138 HB2 PHE 23 1HB PHE 23 -7.153 -11.214 -9.997 139 HB3 PHE 23 2HB PHE 23 -8.497 -12.101 -10.711 140 HD1 PHE 23 HD2 PHE 23 -10.268 -13.070 -9.301 141 HD2 PHE 23 HD1 PHE 23 -7.006 -10.859 -7.591 142 HE1 PHE 23 HE2 PHE 23 -11.508 -12.895 -7.159 143 HE2 PHE 23 HE1 PHE 23 -8.247 -10.686 -5.448 144 HZ PHE 23 HZ PHE 23 -10.498 -11.704 -5.234 145 H ILE 24 H ILE 24 -6.400 -15.272 -8.347 146 HA ILE 24 HA ILE 24 -5.087 -13.723 -6.260 147 HB ILE 24 HB ILE 24 -4.581 -16.029 -5.321 148 HG12 ILE 24 1HG1 ILE 24 -6.360 -16.916 -7.616 149 HG13 ILE 24 2HG1 ILE 24 -4.612 -17.155 -7.580 150 HG21 ILE 24 1HG2 ILE 24 -6.533 -14.772 -4.630 151 HG22 ILE 24 2HG2 ILE 24 -6.977 -16.468 -4.814 152 HG23 ILE 24 3HG2 ILE 24 -7.421 -15.299 -6.058 153 HD11 ILE 24 3HD1 ILE 24 -4.844 -18.434 -5.467 154 HD12 ILE 24 1HD1 ILE 24 -5.758 -19.175 -6.780 155 HD13 ILE 24 2HD1 ILE 24 -6.594 -18.228 -5.550 156 H ILE 25 H ILE 25 -2.930 -13.520 -5.851 157 HA ILE 25 HA ILE 25 -1.095 -14.396 -8.010 158 HB ILE 25 HB ILE 25 -0.698 -12.383 -5.784 159 HG12 ILE 25 1HG1 ILE 25 -1.018 -11.950 -8.769 160 HG13 ILE 25 2HG1 ILE 25 -2.348 -11.810 -7.620 161 HG21 ILE 25 1HG2 ILE 25 1.306 -11.759 -7.233 162 HG22 ILE 25 2HG2 ILE 25 1.050 -13.279 -8.089 163 HG23 ILE 25 3HG2 ILE 25 1.443 -13.291 -6.371 164 HD11 ILE 25 3HD1 ILE 25 -1.251 -10.005 -6.456 165 HD12 ILE 25 1HD1 ILE 25 -1.220 -9.619 -8.176 166 HD13 ILE 25 2HD1 ILE 25 0.230 -10.237 -7.384 167 H ARG 26 H ARG 26 0.420 -15.905 -7.684 168 HA ARG 26 HA ARG 26 0.414 -17.557 -5.361 169 HB2 ARG 26 1HB ARG 26 2.532 -17.266 -7.511 170 HB3 ARG 26 2HB ARG 26 2.415 -18.608 -6.374 171 HG2 ARG 26 1HG ARG 26 0.058 -17.896 -8.119 172 HG3 ARG 26 2HG ARG 26 1.372 -18.879 -8.764 173 HD2 ARG 26 1HD ARG 26 1.069 -20.514 -6.959 174 HD3 ARG 26 2HD ARG 26 -0.199 -19.523 -6.248 175 HE ARG 26 HE ARG 26 -1.683 -20.262 -7.934 176 HH11 ARG 26 1HH2 ARG 26 1.601 -21.136 -8.599 177 HH12 ARG 26 2HH2 ARG 26 1.178 -22.206 -9.893 178 HH21 ARG 26 1HH1 ARG 26 -2.229 -21.653 -9.602 179 HH22 ARG 26 2HH1 ARG 26 -0.984 -22.498 -10.458 180 H GLU 27 H GLU 27 1.736 -17.669 -3.631 181 HA GLU 27 HA GLU 27 3.013 -15.233 -2.756 182 HB2 GLU 27 1HB GLU 27 3.652 -16.626 -0.761 183 HB3 GLU 27 2HB GLU 27 1.928 -16.627 -1.113 184 HG2 GLU 27 1HG GLU 27 3.720 -18.779 -2.244 185 HG3 GLU 27 2HG GLU 27 3.097 -18.905 -0.601 186 H GLY 28 H GLY 28 5.260 -15.209 -1.915 187 HA2 GLY 28 1HA GLY 28 7.557 -15.855 -1.998 188 HA3 GLY 28 2HA GLY 28 7.161 -17.054 -3.228 189 H ASP 29 H ASP 29 8.962 -16.240 -4.422 190 HA ASP 29 HA ASP 29 10.077 -14.797 -5.899 191 HB2 ASP 29 1HB ASP 29 8.732 -14.256 -7.838 192 HB3 ASP 29 2HB ASP 29 8.252 -15.844 -7.245 193 H ASP 30 H ASP 30 8.617 -12.564 -7.245 194 HA ASP 30 HA ASP 30 9.359 -10.494 -5.315 195 HB2 ASP 30 1HB ASP 30 8.716 -8.963 -7.233 196 HB3 ASP 30 2HB ASP 30 9.995 -10.118 -7.601 197 H VAL 31 H VAL 31 7.600 -11.254 -3.819 198 HA VAL 31 HA VAL 31 5.016 -9.873 -4.466 199 HB VAL 31 HB VAL 31 5.475 -12.469 -2.972 200 HG11 VAL 31 1HG1 VAL 31 2.903 -12.352 -2.769 201 HG12 VAL 31 2HG1 VAL 31 3.076 -10.629 -3.108 202 HG13 VAL 31 3HG1 VAL 31 3.836 -11.327 -1.679 203 HG21 VAL 31 3HG2 VAL 31 3.739 -11.780 -5.364 204 HG22 VAL 31 1HG2 VAL 31 4.020 -13.389 -4.696 205 HG23 VAL 31 2HG2 VAL 31 5.337 -12.516 -5.478 206 H ALA 32 H ALA 32 4.333 -8.444 -2.980 207 HA ALA 32 HA ALA 32 5.690 -8.364 -0.308 208 HB1 ALA 32 3HB ALA 32 6.719 -6.623 -1.617 209 HB2 ALA 32 1HB ALA 32 5.581 -5.850 -0.509 210 HB3 ALA 32 2HB ALA 32 5.152 -6.069 -2.205 211 H GLU 33 H GLU 33 4.370 -7.885 1.384 212 HA GLU 33 HA GLU 33 1.451 -7.835 0.837 213 HB2 GLU 33 1HB GLU 33 1.234 -8.374 3.234 214 HB3 GLU 33 2HB GLU 33 2.309 -9.514 2.427 215 HG2 GLU 33 1HG GLU 33 4.264 -8.167 3.217 216 HG3 GLU 33 2HG GLU 33 3.150 -7.130 4.108 217 H VAL 34 H VAL 34 0.152 -6.162 1.434 218 HA VAL 34 HA VAL 34 1.425 -3.781 2.740 219 HB VAL 34 HB VAL 34 -0.464 -3.873 0.371 220 HG11 VAL 34 1HG1 VAL 34 -0.238 -1.316 0.566 221 HG12 VAL 34 2HG1 VAL 34 0.329 -1.605 2.211 222 HG13 VAL 34 3HG1 VAL 34 -1.294 -2.103 1.739 223 HG21 VAL 34 3HG2 VAL 34 1.892 -4.124 -0.205 224 HG22 VAL 34 1HG2 VAL 34 2.323 -2.756 0.821 225 HG23 VAL 34 2HG2 VAL 34 1.375 -2.496 -0.644 226 H SER 35 H SER 35 0.309 -3.000 4.431 227 HA SER 35 HA SER 35 -2.578 -3.680 4.732 228 HB2 SER 35 1HB SER 35 -1.293 -5.376 5.990 229 HB3 SER 35 2HB SER 35 -0.486 -4.090 6.884 230 HG SER 35 HG SER 35 -2.386 -5.036 7.912 231 H LEU 36 H LEU 36 -3.702 -1.948 5.312 232 HA LEU 36 HA LEU 36 -2.260 0.423 6.459 233 HB2 LEU 36 1HB LEU 36 -4.626 0.154 4.609 234 HB3 LEU 36 2HB LEU 36 -4.422 1.615 5.576 235 HG LEU 36 HG LEU 36 -2.110 1.847 4.647 236 HD11 LEU 36 1HD1 LEU 36 -1.887 0.491 2.385 237 HD12 LEU 36 2HD1 LEU 36 -2.963 -0.646 3.201 238 HD13 LEU 36 3HD1 LEU 36 -1.402 -0.236 3.913 239 HD21 LEU 36 3HD2 LEU 36 -2.932 2.410 2.281 240 HD22 LEU 36 1HD2 LEU 36 -3.743 3.202 3.625 241 HD23 LEU 36 2HD2 LEU 36 -4.510 1.834 2.816 242 H PHE 37 H PHE 37 -3.322 1.609 8.088 243 HA PHE 37 HA PHE 37 -5.462 0.114 9.565 244 HB2 PHE 37 1HB PHE 37 -3.330 -0.115 10.734 245 HB3 PHE 37 2HB PHE 37 -3.096 1.634 10.695 246 HD1 PHE 37 HD1 PHE 37 -5.371 -1.046 11.941 247 HD2 PHE 37 HD2 PHE 37 -4.077 3.031 12.345 248 HE1 PHE 37 HE1 PHE 37 -6.708 -0.827 14.018 249 HE2 PHE 37 HE2 PHE 37 -5.413 3.249 14.422 250 HZ PHE 37 HZ PHE 37 -6.728 1.320 15.259 251 H GLY 38 H GLY 38 -7.224 1.283 10.001 252 HA2 GLY 38 1HA GLY 38 -7.144 4.148 10.495 253 HA3 GLY 38 2HA GLY 38 -7.842 3.757 8.923 254 H SER 39 H SER 39 -9.703 4.870 10.123 255 HA SER 39 HA SER 39 -11.141 3.228 12.089 256 HB2 SER 39 1HB SER 39 -12.869 5.086 11.853 257 HB3 SER 39 2HB SER 39 -11.288 5.594 12.436 258 HG SER 39 HG SER 39 -11.552 5.588 9.692 259 H ASP 40 H ASP 40 -12.837 4.884 9.520 260 HA ASP 40 HA ASP 40 -14.365 2.443 8.951 261 HB2 ASP 40 1HB ASP 40 -15.754 3.909 7.545 262 HB3 ASP 40 2HB ASP 40 -15.515 4.614 9.143 263 H LYS 41 H LYS 41 -14.839 1.926 6.618 264 HA LYS 41 HA LYS 41 -12.431 1.199 5.262 265 HB2 LYS 41 1HB LYS 41 -14.603 -0.012 5.070 266 HB3 LYS 41 2HB LYS 41 -15.240 1.342 4.137 267 HG2 LYS 41 1HG LYS 41 -13.519 1.014 2.428 268 HG3 LYS 41 2HG LYS 41 -12.803 -0.291 3.373 269 HD2 LYS 41 1HD LYS 41 -14.908 -1.580 3.179 270 HD3 LYS 41 2HD LYS 41 -15.606 -0.282 2.210 271 HE2 LYS 41 1HE LYS 41 -13.857 -0.588 0.509 272 HE3 LYS 41 2HE LYS 41 -13.119 -1.861 1.481 273 HZ1 LYS 41 3HZ LYS 41 -15.732 -2.605 1.283 274 HZ2 LYS 41 1HZ LYS 41 -14.445 -3.246 0.384 275 HZ3 LYS 41 2HZ LYS 41 -15.385 -1.986 -0.261 276 H ALA 42 H ALA 42 -14.722 3.847 4.748 277 HA ALA 42 HA ALA 42 -13.829 4.787 2.249 278 HB1 ALA 42 3HB ALA 42 -14.589 6.637 4.514 279 HB2 ALA 42 1HB ALA 42 -15.785 5.622 3.715 280 HB3 ALA 42 2HB ALA 42 -14.904 6.837 2.789 281 H HIS 43 H HIS 43 -12.543 5.498 5.478 282 HA HIS 43 HA HIS 43 -10.582 7.418 4.629 283 HB2 HIS 43 1HB HIS 43 -11.321 7.174 6.979 284 HB3 HIS 43 2HB HIS 43 -10.562 5.584 7.043 285 HD1 HIS 43 HD1 HIS 43 -7.916 5.522 6.862 286 HD2 HIS 43 HD2 HIS 43 -9.551 9.336 7.261 287 HE1 HIS 43 HE1 HIS 43 -6.000 7.064 7.468 288 H LEU 44 H LEU 44 -10.425 3.910 5.148 289 HA LEU 44 HA LEU 44 -7.619 3.611 4.668 290 HB2 LEU 44 1HB LEU 44 -9.942 1.698 4.305 291 HB3 LEU 44 2HB LEU 44 -8.257 1.212 4.132 292 HG LEU 44 HG LEU 44 -9.325 2.559 6.626 293 HD11 LEU 44 1HD1 LEU 44 -9.219 0.176 7.573 294 HD12 LEU 44 2HD1 LEU 44 -9.200 -0.371 5.900 295 HD13 LEU 44 3HD1 LEU 44 -10.577 0.540 6.512 296 HD21 LEU 44 3HD2 LEU 44 -6.760 1.156 5.856 297 HD22 LEU 44 1HD2 LEU 44 -7.264 1.218 7.545 298 HD23 LEU 44 2HD2 LEU 44 -6.971 2.711 6.660 299 H GLU 45 H GLU 45 -10.410 3.522 2.511 300 HA GLU 45 HA GLU 45 -9.051 2.713 0.142 301 HB2 GLU 45 1HB GLU 45 -11.501 4.448 0.565 302 HB3 GLU 45 2HB GLU 45 -10.978 3.888 -1.022 303 HG2 GLU 45 1HG GLU 45 -11.586 2.051 1.313 304 HG3 GLU 45 2HG GLU 45 -12.737 2.431 0.031 305 H GLY 46 H GLY 46 -9.684 5.939 1.482 306 HA2 GLY 46 1HA GLY 46 -8.557 7.452 -0.660 307 HA3 GLY 46 2HA GLY 46 -8.719 8.013 1.003 308 H LYS 47 H LYS 47 -7.088 6.321 2.387 309 HA LYS 47 HA LYS 47 -4.467 7.361 1.817 310 HB2 LYS 47 1HB LYS 47 -5.303 6.665 4.096 311 HB3 LYS 47 2HB LYS 47 -5.158 4.988 3.572 312 HG2 LYS 47 1HG LYS 47 -2.763 5.299 3.154 313 HG3 LYS 47 2HG LYS 47 -2.888 7.000 3.600 314 HD2 LYS 47 1HD LYS 47 -3.607 6.349 5.875 315 HD3 LYS 47 2HD LYS 47 -3.459 4.649 5.430 316 HE2 LYS 47 1HE LYS 47 -1.440 5.388 6.616 317 HE3 LYS 47 2HE LYS 47 -1.051 5.003 4.938 318 HZ1 LYS 47 3HZ LYS 47 -0.058 7.098 5.622 319 HZ2 LYS 47 1HZ LYS 47 -1.588 7.721 6.009 320 HZ3 LYS 47 2HZ LYS 47 -1.207 7.349 4.395 321 H LEU 48 H LEU 48 -6.132 4.407 0.992 322 HA LEU 48 HA LEU 48 -3.895 2.816 0.232 323 HB2 LEU 48 1HB LEU 48 -6.241 1.971 0.492 324 HB3 LEU 48 2HB LEU 48 -6.669 2.817 -0.995 325 HG LEU 48 HG LEU 48 -4.923 1.494 -2.203 326 HD11 LEU 48 1HD1 LEU 48 -4.511 0.411 0.566 327 HD12 LEU 48 2HD1 LEU 48 -3.327 0.763 -0.690 328 HD13 LEU 48 3HD1 LEU 48 -4.309 -0.695 -0.797 329 HD21 LEU 48 3HD2 LEU 48 -7.175 0.692 -2.362 330 HD22 LEU 48 1HD2 LEU 48 -7.120 0.018 -0.733 331 HD23 LEU 48 2HD2 LEU 48 -6.172 -0.719 -2.024 332 H ALA 49 H ALA 49 -5.784 5.219 -1.526 333 HA ALA 49 HA ALA 49 -4.848 4.830 -4.141 334 HB1 ALA 49 3HB ALA 49 -5.311 7.477 -2.728 335 HB2 ALA 49 1HB ALA 49 -6.557 6.517 -3.522 336 HB3 ALA 49 2HB ALA 49 -5.263 7.247 -4.477 337 H GLU 50 H GLU 50 -3.232 6.322 -1.399 338 HA GLU 50 HA GLU 50 -1.038 7.505 -2.806 339 HB2 GLU 50 1HB GLU 50 -1.226 6.396 0.013 340 HB3 GLU 50 2HB GLU 50 0.121 7.367 -0.584 341 HG2 GLU 50 1HG GLU 50 -1.391 9.232 -1.049 342 HG3 GLU 50 2HG GLU 50 -2.775 8.263 -0.544 343 H TYR 51 H TYR 51 -1.468 4.290 -1.350 344 HA TYR 51 HA TYR 51 1.158 3.301 -1.875 345 HB2 TYR 51 1HB TYR 51 -1.526 1.945 -1.570 346 HB3 TYR 51 2HB TYR 51 -0.043 1.027 -1.830 347 HD1 TYR 51 HD2 TYR 51 -1.495 3.690 0.376 348 HD2 TYR 51 HD1 TYR 51 1.307 0.455 0.006 349 HE1 TYR 51 HE2 TYR 51 -0.951 3.878 2.788 350 HE2 TYR 51 HE1 TYR 51 1.848 0.648 2.416 351 HH TYR 51 HH TYR 51 -0.043 2.435 4.586 352 H ILE 52 H ILE 52 -1.845 3.079 -3.767 353 HA ILE 52 HA ILE 52 -0.729 1.596 -5.947 354 HB ILE 52 HB ILE 52 -3.101 3.484 -5.825 355 HG12 ILE 52 1HG1 ILE 52 -2.999 0.454 -5.887 356 HG13 ILE 52 2HG1 ILE 52 -3.106 1.388 -4.396 357 HG21 ILE 52 1HG2 ILE 52 -2.467 3.326 -8.135 358 HG22 ILE 52 2HG2 ILE 52 -3.794 2.186 -7.911 359 HG23 ILE 52 3HG2 ILE 52 -2.133 1.602 -7.987 360 HD11 ILE 52 3HD1 ILE 52 -5.102 1.472 -6.681 361 HD12 ILE 52 1HD1 ILE 52 -5.203 2.426 -5.201 362 HD13 ILE 52 2HD1 ILE 52 -5.344 0.670 -5.130 363 H SER 53 H SER 53 -1.180 5.090 -5.443 364 HA SER 53 HA SER 53 -0.190 5.923 -7.992 365 HB2 SER 53 1HB SER 53 -1.343 7.562 -6.715 366 HB3 SER 53 2HB SER 53 -0.349 7.266 -5.292 367 HG SER 53 HG SER 53 1.350 7.905 -7.120 368 H LEU 54 H LEU 54 1.446 5.534 -4.863 369 HA LEU 54 HA LEU 54 4.065 6.265 -5.816 370 HB2 LEU 54 1HB LEU 54 3.155 4.600 -3.449 371 HB3 LEU 54 2HB LEU 54 4.831 5.081 -3.713 372 HG LEU 54 HG LEU 54 2.529 7.045 -3.524 373 HD11 LEU 54 1HD1 LEU 54 2.704 5.962 -1.376 374 HD12 LEU 54 2HD1 LEU 54 3.484 7.538 -1.241 375 HD13 LEU 54 3HD1 LEU 54 4.464 6.082 -1.403 376 HD21 LEU 54 3HD2 LEU 54 5.521 7.278 -3.797 377 HD22 LEU 54 1HD2 LEU 54 4.644 8.527 -2.912 378 HD23 LEU 54 2HD2 LEU 54 4.252 8.205 -4.597 379 H ALA 55 H ALA 55 2.350 3.204 -5.475 380 HA ALA 55 HA ALA 55 4.469 1.428 -6.103 381 HB1 ALA 55 3HB ALA 55 2.236 0.716 -5.267 382 HB2 ALA 55 1HB ALA 55 2.697 -0.158 -6.728 383 HB3 ALA 55 2HB ALA 55 1.532 1.162 -6.820 384 H LYS 56 H LYS 56 2.117 3.021 -8.249 385 HA LYS 56 HA LYS 56 3.112 1.894 -10.689 386 HB2 LYS 56 1HB LYS 56 1.593 4.446 -10.098 387 HB3 LYS 56 2HB LYS 56 1.981 3.922 -11.737 388 HG2 LYS 56 1HG LYS 56 0.787 1.796 -11.337 389 HG3 LYS 56 2HG LYS 56 0.391 2.330 -9.703 390 HD2 LYS 56 1HD LYS 56 -0.855 4.248 -10.621 391 HD3 LYS 56 2HD LYS 56 -0.449 3.735 -12.258 392 HE2 LYS 56 1HE LYS 56 -2.041 2.104 -10.256 393 HE3 LYS 56 2HE LYS 56 -2.720 2.987 -11.622 394 HZ1 LYS 56 3HZ LYS 56 -2.428 1.061 -12.694 395 HZ2 LYS 56 1HZ LYS 56 -1.298 0.473 -11.573 396 HZ3 LYS 56 2HZ LYS 56 -0.801 1.536 -12.802 397 H GLN 57 H GLN 57 3.893 4.875 -8.943 398 HA GLN 57 HA GLN 57 5.689 5.928 -10.909 399 HB2 GLN 57 1HB GLN 57 4.752 7.277 -9.035 400 HB3 GLN 57 2HB GLN 57 5.708 6.326 -7.899 401 HG2 GLN 57 1HG GLN 57 6.854 8.438 -8.405 402 HG3 GLN 57 2HG GLN 57 7.786 7.080 -9.031 403 HE21 GLN 57 2HE2 GLN 57 8.752 8.118 -10.844 404 HE22 GLN 57 1HE2 GLN 57 7.855 8.766 -12.131 405 H VAL 58 H VAL 58 6.236 3.962 -7.999 406 HA VAL 58 HA VAL 58 9.085 3.777 -8.305 407 HB VAL 58 HB VAL 58 7.087 1.990 -6.888 408 HG11 VAL 58 1HG1 VAL 58 9.223 1.239 -5.648 409 HG12 VAL 58 2HG1 VAL 58 10.105 1.906 -7.021 410 HG13 VAL 58 3HG1 VAL 58 8.965 0.585 -7.265 411 HG21 VAL 58 3HG2 VAL 58 9.115 3.925 -5.748 412 HG22 VAL 58 1HG2 VAL 58 7.762 3.165 -4.910 413 HG23 VAL 58 2HG2 VAL 58 7.462 4.402 -6.131 414 H TYR 59 H TYR 59 6.413 1.661 -9.328 415 HA TYR 59 HA TYR 59 8.324 0.312 -11.210 416 HB2 TYR 59 1HB TYR 59 7.607 -1.143 -9.282 417 HB3 TYR 59 2HB TYR 59 5.950 -1.010 -9.879 418 HD1 TYR 59 HD2 TYR 59 9.322 -2.321 -10.566 419 HD2 TYR 59 HD1 TYR 59 5.273 -2.067 -11.978 420 HE1 TYR 59 HE2 TYR 59 9.786 -4.110 -12.218 421 HE2 TYR 59 HE1 TYR 59 5.738 -3.855 -13.633 422 HH TYR 59 HH TYR 59 8.642 -5.730 -13.540 423 H ALA 60 H ALA 60 7.720 0.288 -13.265 424 HA ALA 60 HA ALA 60 5.790 1.916 -14.396 425 HB1 ALA 60 3HB ALA 60 5.896 0.315 -16.380 426 HB2 ALA 60 1HB ALA 60 6.936 -0.699 -15.382 427 HB3 ALA 60 2HB ALA 60 7.448 0.931 -15.812 428 H ASN 61 H ASN 61 5.092 -1.304 -15.348 429 HA ASN 61 HA ASN 61 2.259 -0.918 -14.663 430 HB2 ASN 61 1HB ASN 61 3.738 -3.096 -16.161 431 HB3 ASN 61 2HB ASN 61 1.992 -3.096 -15.911 432 HD21 ASN 61 2HD2 ASN 61 2.081 0.008 -16.131 433 HD22 ASN 61 1HD2 ASN 61 2.168 0.282 -17.801 434 H VAL 62 H VAL 62 2.266 -1.087 -12.408 435 HA VAL 62 HA VAL 62 3.247 -3.580 -11.162 436 HB VAL 62 HB VAL 62 3.569 -1.296 -10.109 437 HG11 VAL 62 1HG1 VAL 62 1.721 -0.220 -9.024 438 HG12 VAL 62 2HG1 VAL 62 0.642 -1.570 -9.372 439 HG13 VAL 62 3HG1 VAL 62 1.205 -0.531 -10.681 440 HG21 VAL 62 3HG2 VAL 62 3.703 -3.463 -8.869 441 HG22 VAL 62 1HG2 VAL 62 1.990 -3.307 -8.480 442 HG23 VAL 62 2HG2 VAL 62 3.146 -2.130 -7.860 443 H GLU 63 H GLU 63 1.940 -5.146 -10.336 444 HA GLU 63 HA GLU 63 -0.996 -4.917 -10.906 445 HB2 GLU 63 1HB GLU 63 0.837 -7.330 -10.803 446 HB3 GLU 63 2HB GLU 63 -0.916 -7.430 -10.963 447 HG2 GLU 63 1HG GLU 63 0.892 -5.923 -12.876 448 HG3 GLU 63 2HG GLU 63 0.273 -7.549 -13.165 449 H TYR 64 H TYR 64 -2.375 -5.157 -9.252 450 HA TYR 64 HA TYR 64 -1.481 -6.404 -6.722 451 HB2 TYR 64 1HB TYR 64 -2.212 -4.456 -5.389 452 HB3 TYR 64 2HB TYR 64 -0.857 -4.052 -6.441 453 HD1 TYR 64 HD1 TYR 64 -1.234 -2.740 -8.528 454 HD2 TYR 64 HD2 TYR 64 -4.394 -3.474 -5.708 455 HE1 TYR 64 HE1 TYR 64 -2.573 -0.922 -9.553 456 HE2 TYR 64 HE2 TYR 64 -5.732 -1.657 -6.739 457 HH TYR 64 HH TYR 64 -5.863 -0.183 -8.398 458 H GLU 65 H GLU 65 -3.284 -6.691 -5.216 459 HA GLU 65 HA GLU 65 -6.004 -6.511 -6.403 460 HB2 GLU 65 1HB GLU 65 -6.465 -8.870 -5.779 461 HB3 GLU 65 2HB GLU 65 -5.220 -8.749 -7.021 462 HG2 GLU 65 1HG GLU 65 -3.471 -8.962 -5.271 463 HG3 GLU 65 2HG GLU 65 -4.732 -9.132 -4.049 464 H VAL 66 H VAL 66 -7.670 -6.654 -4.806 465 HA VAL 66 HA VAL 66 -6.721 -6.220 -1.990 466 HB VAL 66 HB VAL 66 -9.104 -4.987 -3.399 467 HG11 VAL 66 1HG1 VAL 66 -8.023 -4.798 -0.578 468 HG12 VAL 66 2HG1 VAL 66 -9.635 -5.301 -1.081 469 HG13 VAL 66 3HG1 VAL 66 -9.144 -3.615 -1.251 470 HG21 VAL 66 3HG2 VAL 66 -6.803 -4.126 -4.035 471 HG22 VAL 66 1HG2 VAL 66 -6.581 -3.675 -2.346 472 HG23 VAL 66 2HG2 VAL 66 -7.857 -2.919 -3.299 473 H ALA 67 H ALA 67 -7.540 -7.541 -0.511 474 HA ALA 67 HA ALA 67 -9.465 -9.586 -1.329 475 HB1 ALA 67 3HB ALA 67 -7.335 -9.509 0.481 476 HB2 ALA 67 1HB ALA 67 -8.484 -10.834 0.312 477 HB3 ALA 67 2HB ALA 67 -8.751 -9.579 1.525 478 HA PRO 68 HA PRO 68 -13.242 -8.148 0.421 479 HB2 PRO 68 1HB PRO 68 -13.063 -10.214 2.594 480 HB3 PRO 68 2HB PRO 68 -14.394 -9.876 1.466 481 HG2 PRO 68 1HG PRO 68 -12.838 -11.978 1.091 482 HG3 PRO 68 2HG PRO 68 -13.368 -10.993 -0.284 483 HD2 PRO 68 1HD PRO 68 -10.687 -11.060 1.063 484 HD3 PRO 68 2HD PRO 68 -11.088 -10.880 -0.658 485 H VAL 69 H VAL 69 -13.670 -6.414 1.669 486 HA VAL 69 HA VAL 69 -12.354 -6.155 4.345 487 HB VAL 69 HB VAL 69 -12.534 -4.073 2.158 488 HG11 VAL 69 1HG1 VAL 69 -11.358 -2.638 3.940 489 HG12 VAL 69 2HG1 VAL 69 -11.944 -3.818 5.111 490 HG13 VAL 69 3HG1 VAL 69 -13.092 -2.892 4.146 491 HG21 VAL 69 3HG2 VAL 69 -10.627 -5.823 2.281 492 HG22 VAL 69 1HG2 VAL 69 -10.112 -4.963 3.734 493 HG23 VAL 69 2HG2 VAL 69 -10.165 -4.126 2.183 494 H ALA 70 H ALA 70 -13.721 -5.587 5.920 495 HA ALA 70 HA ALA 70 -16.559 -5.287 5.371 496 HB1 ALA 70 3HB ALA 70 -16.851 -5.360 7.715 497 HB2 ALA 70 1HB ALA 70 -15.232 -4.734 8.024 498 HB3 ALA 70 2HB ALA 70 -15.441 -6.379 7.428 499 H ASP 71 H ASP 71 -17.840 -3.451 5.868 500 HA ASP 71 HA ASP 71 -16.755 -0.931 5.046 501 HB2 ASP 71 1HB ASP 71 -19.351 -1.845 6.265 502 HB3 ASP 71 2HB ASP 71 -19.030 -0.118 6.139 503 H ASN 72 H ASN 72 -17.371 -2.354 8.209 504 HA ASN 72 HA ASN 72 -16.446 0.120 9.568 505 HB2 ASN 72 1HB ASN 72 -18.455 -1.160 10.395 506 HB3 ASN 72 2HB ASN 72 -17.380 -2.506 10.775 507 HD21 ASN 72 2HD2 ASN 72 -17.561 -2.360 13.091 508 HD22 ASN 72 1HD2 ASN 72 -17.001 -1.020 13.967 509 H ALA 73 H ALA 73 -14.859 -2.094 7.983 510 HA ALA 73 HA ALA 73 -13.101 -3.438 9.753 511 HB1 ALA 73 3HB ALA 73 -13.083 -4.062 7.446 512 HB2 ALA 73 1HB ALA 73 -11.490 -3.378 7.777 513 HB3 ALA 73 2HB ALA 73 -12.706 -2.419 6.935 514 H THR 74 H THR 74 -11.117 -2.919 10.633 515 HA THR 74 HA THR 74 -10.530 -0.011 10.899 516 HB THR 74 HB THR 74 -9.251 -0.637 12.862 517 HG1 THR 74 HG1 THR 74 -8.401 -2.578 11.914 518 HG21 THR 74 3HG2 THR 74 -11.741 -0.584 13.067 519 HG22 THR 74 1HG2 THR 74 -10.978 -1.678 14.222 520 HG23 THR 74 2HG2 THR 74 -11.767 -2.324 12.783 521 H GLU 75 H GLU 75 -9.614 -2.533 8.964 522 HA GLU 75 HA GLU 75 -7.119 -1.164 8.220 523 HB2 GLU 75 1HB GLU 75 -5.731 -3.194 8.388 524 HB3 GLU 75 2HB GLU 75 -6.341 -2.712 9.971 525 HG2 GLU 75 1HG GLU 75 -8.194 -4.362 9.724 526 HG3 GLU 75 2HG GLU 75 -7.493 -4.886 8.193 527 H LEU 76 H LEU 76 -6.207 -2.088 6.210 528 HA LEU 76 HA LEU 76 -8.262 -3.535 4.571 529 HB2 LEU 76 1HB LEU 76 -8.219 -1.163 3.980 530 HB3 LEU 76 2HB LEU 76 -6.475 -1.238 3.732 531 HG LEU 76 HG LEU 76 -7.989 -3.295 2.211 532 HD11 LEU 76 1HD1 LEU 76 -9.604 -1.468 2.035 533 HD12 LEU 76 2HD1 LEU 76 -8.780 -1.699 0.493 534 HD13 LEU 76 3HD1 LEU 76 -8.324 -0.358 1.545 535 HD21 LEU 76 3HD2 LEU 76 -5.927 -1.208 1.444 536 HD22 LEU 76 1HD2 LEU 76 -6.485 -2.515 0.402 537 HD23 LEU 76 2HD2 LEU 76 -5.585 -2.883 1.874 538 H HIS 77 H HIS 77 -7.505 -5.326 3.655 539 HA HIS 77 HA HIS 77 -4.579 -5.857 3.700 540 HB2 HIS 77 1HB HIS 77 -6.199 -7.507 4.697 541 HB3 HIS 77 2HB HIS 77 -6.839 -7.773 3.074 542 HD1 HIS 77 HD1 HIS 77 -5.266 -8.943 1.341 543 HD2 HIS 77 HD2 HIS 77 -3.638 -8.626 5.165 544 HE1 HIS 77 HE1 HIS 77 -3.232 -10.451 1.380 545 H ALA 78 H ALA 78 -3.446 -5.663 1.898 546 HA ALA 78 HA ALA 78 -4.703 -6.220 -0.739 547 HB1 ALA 78 3HB ALA 78 -3.449 -4.146 -1.609 548 HB2 ALA 78 1HB ALA 78 -3.353 -3.644 0.077 549 HB3 ALA 78 2HB ALA 78 -4.926 -3.856 -0.691 550 H ARG 79 H ARG 79 -3.092 -6.630 -2.388 551 HA ARG 79 HA ARG 79 -0.370 -7.287 -1.317 552 HB2 ARG 79 1HB ARG 79 -1.772 -9.333 -1.539 553 HB3 ARG 79 2HB ARG 79 -1.991 -8.967 -3.252 554 HG2 ARG 79 1HG ARG 79 0.440 -9.083 -3.604 555 HG3 ARG 79 2HG ARG 79 0.685 -9.404 -1.888 556 HD2 ARG 79 1HD ARG 79 -0.905 -11.159 -3.780 557 HD3 ARG 79 2HD ARG 79 0.741 -11.483 -3.239 558 HE ARG 79 HE ARG 79 -1.696 -11.834 -1.650 559 HH11 ARG 79 1HH2 ARG 79 1.736 -11.377 -1.674 560 HH12 ARG 79 2HH2 ARG 79 1.964 -12.101 -0.117 561 HH21 ARG 79 1HH1 ARG 79 -1.400 -12.776 0.362 562 HH22 ARG 79 2HH1 ARG 79 0.193 -12.893 1.032 563 H PHE 80 H PHE 80 1.286 -6.719 -2.603 564 HA PHE 80 HA PHE 80 0.670 -5.620 -5.329 565 HB2 PHE 80 1HB PHE 80 2.520 -4.583 -3.175 566 HB3 PHE 80 2HB PHE 80 2.640 -4.074 -4.859 567 HD1 PHE 80 HD2 PHE 80 0.332 -4.229 -1.936 568 HD2 PHE 80 HD1 PHE 80 1.131 -2.484 -5.777 569 HE1 PHE 80 HE2 PHE 80 -1.508 -2.606 -1.581 570 HE2 PHE 80 HE1 PHE 80 -0.711 -0.864 -5.425 571 HZ PHE 80 HZ PHE 80 -2.030 -0.923 -3.326 572 H LYS 81 H LYS 81 2.167 -6.057 -6.926 573 HA LYS 81 HA LYS 81 4.270 -8.094 -6.264 574 HB2 LYS 81 1HB LYS 81 2.411 -8.958 -7.664 575 HB3 LYS 81 2HB LYS 81 2.747 -7.704 -8.858 576 HG2 LYS 81 1HG LYS 81 5.015 -8.595 -9.184 577 HG3 LYS 81 2HG LYS 81 4.723 -9.820 -7.950 578 HD2 LYS 81 1HD LYS 81 2.882 -10.752 -9.309 579 HD3 LYS 81 2HD LYS 81 3.184 -9.533 -10.547 580 HE2 LYS 81 1HE LYS 81 4.279 -11.638 -11.165 581 HE3 LYS 81 2HE LYS 81 5.492 -10.406 -10.821 582 HZ1 LYS 81 3HZ LYS 81 6.145 -11.438 -8.932 583 HZ2 LYS 81 1HZ LYS 81 5.589 -12.808 -9.761 584 HZ3 LYS 81 2HZ LYS 81 4.603 -12.067 -8.593 585 H PHE 82 H PHE 82 6.304 -7.509 -6.682 586 HA PHE 82 HA PHE 82 6.813 -5.160 -8.489 587 HB2 PHE 82 1HB PHE 82 8.194 -5.959 -5.914 588 HB3 PHE 82 2HB PHE 82 8.790 -4.714 -7.009 589 HD1 PHE 82 HD2 PHE 82 7.444 -2.672 -7.448 590 HD2 PHE 82 HD1 PHE 82 6.324 -5.550 -4.466 591 HE1 PHE 82 HE2 PHE 82 5.913 -1.013 -6.424 592 HE2 PHE 82 HE1 PHE 82 4.792 -3.893 -3.441 593 HZ PHE 82 HZ PHE 82 4.586 -1.624 -4.421 594 H GLU 83 H GLU 83 9.696 -6.190 -7.386 595 HA GLU 83 HA GLU 83 10.079 -8.450 -9.248 596 HB2 GLU 83 1HB GLU 83 10.377 -6.340 -10.601 597 HB3 GLU 83 2HB GLU 83 11.675 -5.883 -9.498 598 HG2 GLU 83 1HG GLU 83 12.661 -6.944 -11.447 599 HG3 GLU 83 2HG GLU 83 12.848 -8.025 -10.066 600 H VAL 84 H VAL 84 11.488 -6.130 -6.956 601 HA VAL 84 HA VAL 84 13.103 -8.362 -5.798 602 HB VAL 84 HB VAL 84 15.004 -6.767 -5.490 603 HG11 VAL 84 1HG1 VAL 84 14.798 -8.402 -7.417 604 HG12 VAL 84 2HG1 VAL 84 15.842 -7.016 -7.727 605 HG13 VAL 84 3HG1 VAL 84 14.211 -7.058 -8.397 606 HG21 VAL 84 3HG2 VAL 84 13.269 -5.034 -7.278 607 HG22 VAL 84 1HG2 VAL 84 14.982 -4.738 -6.988 608 HG23 VAL 84 2HG2 VAL 84 13.836 -4.648 -5.652 609 H SER 85 H SER 85 13.705 -7.988 -3.577 610 HA SER 85 HA SER 85 11.596 -6.894 -1.984 611 HB2 SER 85 1HB SER 85 12.901 -8.632 -1.013 612 HB3 SER 85 2HB SER 85 14.410 -7.795 -1.360 613 HG SER 85 HG SER 85 12.374 -6.876 0.396 614 H ALA 86 H ALA 86 14.817 -5.669 -2.815 615 HA ALA 86 HA ALA 86 15.170 -3.477 -1.223 616 HB1 ALA 86 3HB ALA 86 15.401 -3.268 -4.232 617 HB2 ALA 86 1HB ALA 86 16.563 -4.147 -3.242 618 HB3 ALA 86 2HB ALA 86 16.355 -2.409 -3.021 619 H GLU 87 H GLU 87 13.010 -3.526 -4.050 620 HA GLU 87 HA GLU 87 12.117 -0.825 -3.834 621 HB2 GLU 87 1HB GLU 87 10.791 -3.297 -4.984 622 HB3 GLU 87 2HB GLU 87 10.135 -1.668 -5.166 623 HG2 GLU 87 1HG GLU 87 12.184 -0.936 -6.283 624 HG3 GLU 87 2HG GLU 87 12.910 -2.523 -6.042 625 H LYS 88 H LYS 88 11.047 -3.791 -2.269 626 HA LYS 88 HA LYS 88 8.587 -2.820 -1.184 627 HB2 LYS 88 1HB LYS 88 9.326 -5.228 -1.219 628 HB3 LYS 88 2HB LYS 88 10.484 -4.840 0.051 629 HG2 LYS 88 1HG LYS 88 8.664 -4.149 1.539 630 HG3 LYS 88 2HG LYS 88 7.483 -4.455 0.265 631 HD2 LYS 88 1HD LYS 88 8.152 -6.843 0.229 632 HD3 LYS 88 2HD LYS 88 9.304 -6.530 1.527 633 HE2 LYS 88 1HE LYS 88 7.465 -5.822 3.005 634 HE3 LYS 88 2HE LYS 88 6.306 -6.106 1.708 635 HZ1 LYS 88 3HZ LYS 88 8.074 -8.160 2.926 636 HZ2 LYS 88 1HZ LYS 88 6.953 -8.431 1.680 637 HZ3 LYS 88 2HZ LYS 88 6.411 -7.982 3.227 638 H LEU 89 H LEU 89 11.902 -2.813 0.094 639 HA LEU 89 HA LEU 89 11.291 -1.691 2.649 640 HB2 LEU 89 1HB LEU 89 13.761 -1.798 0.926 641 HB3 LEU 89 2HB LEU 89 13.778 -0.891 2.438 642 HG LEU 89 HG LEU 89 13.048 -2.911 3.653 643 HD11 LEU 89 1HD1 LEU 89 13.224 -5.101 2.313 644 HD12 LEU 89 2HD1 LEU 89 13.113 -4.091 0.871 645 HD13 LEU 89 3HD1 LEU 89 11.788 -4.114 2.037 646 HD21 LEU 89 3HD2 LEU 89 15.509 -2.363 3.141 647 HD22 LEU 89 1HD2 LEU 89 15.419 -3.631 1.916 648 HD23 LEU 89 2HD2 LEU 89 15.152 -4.025 3.613 649 H ILE 90 H ILE 90 12.368 -0.094 -0.363 650 HA ILE 90 HA ILE 90 12.194 2.567 0.754 651 HB ILE 90 HB ILE 90 12.378 1.460 -2.057 652 HG12 ILE 90 1HG1 ILE 90 14.561 2.502 -2.023 653 HG13 ILE 90 2HG1 ILE 90 14.189 3.356 -0.527 654 HG21 ILE 90 1HG2 ILE 90 11.792 4.296 -1.192 655 HG22 ILE 90 2HG2 ILE 90 11.046 3.364 -2.487 656 HG23 ILE 90 3HG2 ILE 90 12.686 3.980 -2.681 657 HD11 ILE 90 3HD1 ILE 90 15.627 1.254 -0.287 658 HD12 ILE 90 1HD1 ILE 90 14.180 0.338 -0.710 659 HD13 ILE 90 2HD1 ILE 90 14.198 1.334 0.744 660 H PHE 91 H PHE 91 10.037 0.587 -1.238 661 HA PHE 91 HA PHE 91 7.982 2.502 -1.635 662 HB2 PHE 91 1HB PHE 91 8.041 0.364 -2.840 663 HB3 PHE 91 2HB PHE 91 7.808 -0.512 -1.329 664 HD1 PHE 91 HD2 PHE 91 6.223 2.065 -3.524 665 HD2 PHE 91 HD1 PHE 91 5.632 -0.958 -0.529 666 HE1 PHE 91 HE2 PHE 91 3.769 2.298 -3.771 667 HE2 PHE 91 HE1 PHE 91 3.175 -0.725 -0.780 668 HZ PHE 91 HZ PHE 91 2.244 0.904 -2.401 669 H GLU 92 H GLU 92 8.401 0.066 0.912 670 HA GLU 92 HA GLU 92 6.068 0.864 2.407 671 HB2 GLU 92 1HB GLU 92 7.121 -1.375 2.629 672 HB3 GLU 92 2HB GLU 92 8.539 -0.619 3.352 673 HG2 GLU 92 1HG GLU 92 7.180 0.234 5.201 674 HG3 GLU 92 2HG GLU 92 5.723 -0.428 4.463 675 H LEU 93 H LEU 93 9.438 1.851 2.385 676 HA LEU 93 HA LEU 93 9.480 3.244 4.870 677 HB2 LEU 93 1HB LEU 93 11.526 2.739 3.558 678 HB3 LEU 93 2HB LEU 93 10.992 3.862 2.309 679 HG LEU 93 HG LEU 93 11.057 5.718 3.961 680 HD11 LEU 93 1HD1 LEU 93 12.421 5.053 6.123 681 HD12 LEU 93 2HD1 LEU 93 11.782 3.442 5.791 682 HD13 LEU 93 3HD1 LEU 93 10.680 4.791 6.068 683 HD21 LEU 93 3HD2 LEU 93 13.050 5.246 2.589 684 HD22 LEU 93 1HD2 LEU 93 13.625 4.107 3.809 685 HD23 LEU 93 2HD2 LEU 93 13.512 5.825 4.189 686 H LYS 94 H LYS 94 8.723 4.342 1.586 687 HA LYS 94 HA LYS 94 8.232 7.081 2.261 688 HB2 LYS 94 1HB LYS 94 7.234 5.346 -0.009 689 HB3 LYS 94 2HB LYS 94 6.946 7.084 0.079 690 HG2 LYS 94 1HG LYS 94 9.460 7.379 0.285 691 HG3 LYS 94 2HG LYS 94 9.617 5.665 -0.097 692 HD2 LYS 94 1HD LYS 94 8.149 7.648 -1.857 693 HD3 LYS 94 2HD LYS 94 9.837 7.198 -2.094 694 HE2 LYS 94 1HE LYS 94 9.012 4.764 -2.157 695 HE3 LYS 94 2HE LYS 94 7.390 5.438 -2.318 696 HZ1 LYS 94 3HZ LYS 94 7.759 5.933 -4.430 697 HZ2 LYS 94 1HZ LYS 94 9.179 5.011 -4.336 698 HZ3 LYS 94 2HZ LYS 94 9.241 6.689 -4.085 699 H THR 95 H THR 95 6.079 4.269 2.006 700 HA THR 95 HA THR 95 3.649 5.713 2.513 701 HB THR 95 HB THR 95 2.748 3.444 3.108 702 HG1 THR 95 HG1 THR 95 4.076 1.813 3.328 703 HG21 THR 95 3HG2 THR 95 2.613 4.076 0.814 704 HG22 THR 95 1HG2 THR 95 3.283 2.444 0.821 705 HG23 THR 95 2HG2 THR 95 4.343 3.832 0.573 706 H ARG 96 H ARG 96 5.956 4.078 4.644 707 HA ARG 96 HA ARG 96 4.408 4.352 7.043 708 HB2 ARG 96 1HB ARG 96 7.385 4.078 6.561 709 HB3 ARG 96 2HB ARG 96 6.678 4.098 8.176 710 HG2 ARG 96 1HG ARG 96 5.633 2.181 6.093 711 HG3 ARG 96 2HG ARG 96 7.092 1.789 7.001 712 HD2 ARG 96 1HD ARG 96 5.826 2.148 9.123 713 HD3 ARG 96 2HD ARG 96 4.361 2.410 8.182 714 HE ARG 96 HE ARG 96 5.722 -0.166 8.589 715 HH11 ARG 96 1HH2 ARG 96 3.374 1.722 6.882 716 HH12 ARG 96 2HH2 ARG 96 2.466 0.343 6.364 717 HH21 ARG 96 1HH1 ARG 96 4.544 -1.950 7.924 718 HH22 ARG 96 2HH1 ARG 96 3.127 -1.732 6.952 719 H ALA 97 H ALA 97 6.795 6.413 5.478 720 HA ALA 97 HA ALA 97 6.983 8.370 7.564 721 HB1 ALA 97 3HB ALA 97 7.912 9.830 5.810 722 HB2 ALA 97 1HB ALA 97 7.314 8.730 4.568 723 HB3 ALA 97 2HB ALA 97 8.588 8.206 5.668 724 H LEU 98 H LEU 98 4.883 8.074 4.725 725 HA LEU 98 HA LEU 98 3.511 10.570 5.047 726 HB2 LEU 98 1HB LEU 98 2.694 7.951 3.759 727 HB3 LEU 98 2HB LEU 98 1.721 9.418 3.656 728 HG LEU 98 HG LEU 98 4.627 9.291 2.799 729 HD11 LEU 98 1HD1 LEU 98 2.179 9.120 1.019 730 HD12 LEU 98 2HD1 LEU 98 3.168 7.733 1.467 731 HD13 LEU 98 3HD1 LEU 98 3.865 9.040 0.514 732 HD21 LEU 98 3HD2 LEU 98 3.693 11.309 1.386 733 HD22 LEU 98 1HD2 LEU 98 4.085 11.560 3.084 734 HD23 LEU 98 2HD2 LEU 98 2.407 11.328 2.592 735 H ALA 99 H ALA 99 2.823 7.303 6.212 736 HA ALA 99 HA ALA 99 0.342 8.013 7.523 737 HB1 ALA 99 3HB ALA 99 2.180 5.693 8.164 738 HB2 ALA 99 1HB ALA 99 1.043 5.679 6.819 739 HB3 ALA 99 2HB ALA 99 0.446 5.795 8.476 740 H ARG 100 H ARG 100 3.661 7.465 8.692 741 HA ARG 100 HA ARG 100 3.096 8.048 11.446 742 HB2 ARG 100 1HB ARG 100 5.649 8.134 9.820 743 HB3 ARG 100 2HB ARG 100 5.612 8.431 11.558 744 HG2 ARG 100 1HG ARG 100 4.629 6.213 11.935 745 HG3 ARG 100 2HG ARG 100 4.609 5.914 10.197 746 HD2 ARG 100 1HD ARG 100 7.067 6.127 10.130 747 HD3 ARG 100 2HD ARG 100 7.090 6.416 11.869 748 HE ARG 100 HE ARG 100 6.611 3.825 10.549 749 HH11 ARG 100 1HH2 ARG 100 6.505 5.753 13.423 750 HH12 ARG 100 2HH2 ARG 100 6.484 4.385 14.484 751 HH21 ARG 100 1HH1 ARG 100 6.590 2.053 11.926 752 HH22 ARG 100 2HH1 ARG 100 6.529 2.297 13.640 753 H LEU 101 H LEU 101 4.301 10.061 8.772 754 HA LEU 101 HA LEU 101 4.100 12.471 10.521 755 HB2 LEU 101 1HB LEU 101 5.261 12.226 7.735 756 HB3 LEU 101 2HB LEU 101 5.400 13.610 8.818 757 HG LEU 101 HG LEU 101 6.494 10.834 9.369 758 HD11 LEU 101 1HD1 LEU 101 7.666 12.211 7.587 759 HD12 LEU 101 2HD1 LEU 101 8.670 11.776 8.970 760 HD13 LEU 101 3HD1 LEU 101 8.005 13.404 8.840 761 HD21 LEU 101 3HD2 LEU 101 6.362 13.388 10.971 762 HD22 LEU 101 1HD2 LEU 101 7.703 12.267 11.214 763 HD23 LEU 101 2HD2 LEU 101 6.048 11.733 11.494 764 H GLU 102 H GLU 102 2.488 13.871 10.290 765 HA GLU 102 HA GLU 102 0.439 13.387 8.217 766 HB2 GLU 102 1HB GLU 102 -0.162 13.770 10.631 767 HB3 GLU 102 2HB GLU 102 0.470 15.409 10.477 768 HG2 GLU 102 1HG GLU 102 -1.158 15.945 8.771 769 HG3 GLU 102 2HG GLU 102 -1.715 14.274 8.713 770 H HIS 103 H HIS 103 3.178 15.351 8.687 771 HA HIS 103 HA HIS 103 2.474 16.937 6.293 772 HB2 HIS 103 1HB HIS 103 3.004 19.085 7.370 773 HB3 HIS 103 2HB HIS 103 1.620 18.314 8.146 774 HD1 HIS 103 HD1 HIS 103 1.964 17.353 10.538 775 HD2 HIS 103 HD2 HIS 103 5.351 19.221 8.978 776 HE1 HIS 103 HE1 HIS 103 3.574 17.649 12.471 777 H HIS 104 H HIS 104 4.354 18.154 5.473 778 HA HIS 104 HA HIS 104 6.837 16.605 5.858 779 HB2 HIS 104 1HB HIS 104 6.101 18.805 3.905 780 HB3 HIS 104 2HB HIS 104 7.642 17.948 3.906 781 HD1 HIS 104 HD1 HIS 104 7.508 15.304 3.468 782 HD2 HIS 104 HD2 HIS 104 4.024 17.434 2.629 783 HE1 HIS 104 HE1 HIS 104 6.066 13.786 2.044 784 H HIS 105 H HIS 105 8.285 17.242 7.309 785 HA HIS 105 HA HIS 105 8.342 20.068 8.239 786 HB2 HIS 105 1HB HIS 105 9.657 19.212 10.108 787 HB3 HIS 105 2HB HIS 105 8.219 18.213 9.913 788 HD1 HIS 105 HD1 HIS 105 10.241 17.221 7.198 789 HD2 HIS 105 HD2 HIS 105 10.426 16.479 11.297 790 HE1 HIS 105 HE1 HIS 105 11.663 15.143 7.490 791 H HIS 106 H HIS 106 9.601 18.550 5.743 792 HA HIS 106 HA HIS 106 12.437 18.849 5.930 793 HB2 HIS 106 1HB HIS 106 10.516 18.915 3.592 794 HB3 HIS 106 2HB HIS 106 12.262 19.040 3.378 795 HD1 HIS 106 HD1 HIS 106 9.588 16.649 4.559 796 HD2 HIS 106 HD2 HIS 106 13.678 16.629 3.749 797 HE1 HIS 106 HE1 HIS 106 10.319 14.224 4.617 798 H HIS 107 H HIS 107 9.862 21.083 4.984 799 HA HIS 107 HA HIS 107 11.648 23.218 4.195 800 HB2 HIS 107 1HB HIS 107 8.713 23.189 4.939 801 HB3 HIS 107 2HB HIS 107 9.556 24.628 4.368 802 HD1 HIS 107 HD1 HIS 107 8.388 21.233 3.229 803 HD2 HIS 107 HD2 HIS 107 10.195 24.620 1.605 804 HE1 HIS 107 HE1 HIS 107 8.337 20.936 0.714 805 H HIS 108 H HIS 108 12.566 24.770 5.413 806 HA HIS 108 HA HIS 108 12.311 24.585 8.355 807 HB2 HIS 108 1HB HIS 108 14.283 26.058 8.374 808 HB3 HIS 108 2HB HIS 108 14.559 24.680 7.309 809 HD1 HIS 108 HD1 HIS 108 14.103 25.182 4.664 810 HD2 HIS 108 HD2 HIS 108 14.592 28.515 7.123 811 HE1 HIS 108 HE1 HIS 108 14.585 27.141 3.131 Start of MODEL 11 1 H1 MET 1 1H MET 1 2.890 11.582 34.484 2 H2 MET 1 2H MET 1 1.320 11.301 33.898 3 H3 MET 1 3H MET 1 2.110 12.765 33.553 4 HA MET 1 HA MET 1 2.270 11.520 31.594 5 HB2 MET 1 1HB MET 1 4.379 12.601 32.320 6 HB3 MET 1 2HB MET 1 4.834 11.124 33.170 7 HG2 MET 1 1HG MET 1 4.810 9.878 31.049 8 HG3 MET 1 2HG MET 1 4.298 11.327 30.189 9 HE1 MET 1 3HE MET 1 7.200 11.119 33.154 10 HE2 MET 1 1HE MET 1 8.295 10.271 32.054 11 HE3 MET 1 2HE MET 1 6.695 9.617 32.384 12 H SER 2 H SER 2 1.329 9.667 31.031 13 HA SER 2 HA SER 2 2.534 7.107 31.793 14 HB2 SER 2 1HB SER 2 0.528 6.146 32.762 15 HB3 SER 2 2HB SER 2 0.954 7.593 33.669 16 HG SER 2 HG SER 2 -1.298 7.435 33.078 17 H ASN 3 H ASN 3 1.503 5.301 30.623 18 HA ASN 3 HA ASN 3 0.728 6.145 27.904 19 HB2 ASN 3 1HB ASN 3 0.923 3.689 27.407 20 HB3 ASN 3 2HB ASN 3 2.400 4.402 28.048 21 HD21 ASN 3 2HD2 ASN 3 3.285 3.414 29.885 22 HD22 ASN 3 1HD2 ASN 3 2.485 2.256 30.836 23 H GLN 4 H GLN 4 -1.321 6.432 27.434 24 HA GLN 4 HA GLN 4 -3.474 5.262 29.080 25 HB2 GLN 4 1HB GLN 4 -4.957 6.688 27.732 26 HB3 GLN 4 2HB GLN 4 -3.596 7.631 28.333 27 HG2 GLN 4 1HG GLN 4 -2.443 7.269 26.133 28 HG3 GLN 4 2HG GLN 4 -3.899 6.468 25.546 29 HE21 GLN 4 2HE2 GLN 4 -2.800 9.604 26.939 30 HE22 GLN 4 1HE2 GLN 4 -3.970 10.541 26.142 31 H THR 5 H THR 5 -1.651 4.242 26.541 32 HA THR 5 HA THR 5 -1.904 2.679 24.818 33 HB THR 5 HB THR 5 -3.106 0.662 25.496 34 HG1 THR 5 HG1 THR 5 -3.995 1.985 27.802 35 HG21 THR 5 3HG2 THR 5 -0.948 1.030 26.549 36 HG22 THR 5 1HG2 THR 5 -2.051 0.325 27.730 37 HG23 THR 5 2HG2 THR 5 -1.688 2.050 27.782 38 H CYS 6 H CYS 6 -4.531 1.186 24.590 39 HA CYS 6 HA CYS 6 -6.426 3.197 23.637 40 HB2 CYS 6 1HB CYS 6 -6.390 2.348 21.292 41 HB3 CYS 6 2HB CYS 6 -4.895 3.163 21.748 42 HG CYS 6 HG CYS 6 -4.965 0.063 22.003 43 H VAL 7 H VAL 7 -8.213 1.936 22.341 44 HA VAL 7 HA VAL 7 -9.264 -0.061 24.146 45 HB VAL 7 HB VAL 7 -10.210 0.873 21.408 46 HG11 VAL 7 1HG1 VAL 7 -11.429 -0.990 23.454 47 HG12 VAL 7 2HG1 VAL 7 -11.144 -1.299 21.742 48 HG13 VAL 7 3HG1 VAL 7 -12.401 -0.164 22.237 49 HG21 VAL 7 3HG2 VAL 7 -11.958 2.016 22.851 50 HG22 VAL 7 1HG2 VAL 7 -10.325 2.652 23.047 51 HG23 VAL 7 2HG2 VAL 7 -10.998 1.562 24.259 52 H GLU 8 H GLU 8 -7.342 -0.151 21.278 53 HA GLU 8 HA GLU 8 -7.940 -2.958 20.643 54 HB2 GLU 8 1HB GLU 8 -5.880 -0.999 19.569 55 HB3 GLU 8 2HB GLU 8 -6.082 -2.645 18.966 56 HG2 GLU 8 1HG GLU 8 -8.417 -2.167 18.375 57 HG3 GLU 8 2HG GLU 8 -8.260 -0.534 19.019 58 H ASN 9 H ASN 9 -7.045 -4.581 21.734 59 HA ASN 9 HA ASN 9 -4.206 -4.467 22.548 60 HB2 ASN 9 1HB ASN 9 -5.658 -3.544 24.460 61 HB3 ASN 9 2HB ASN 9 -6.306 -5.179 24.613 62 HD21 ASN 9 2HD2 ASN 9 -5.272 -5.604 26.671 63 HD22 ASN 9 1HD2 ASN 9 -3.589 -5.775 26.816 64 H GLU 10 H GLU 10 -7.241 -6.327 22.793 65 HA GLU 10 HA GLU 10 -5.920 -8.899 22.879 66 HB2 GLU 10 1HB GLU 10 -8.795 -8.099 22.344 67 HB3 GLU 10 2HB GLU 10 -8.255 -9.773 22.483 68 HG2 GLU 10 1HG GLU 10 -7.448 -9.360 24.757 69 HG3 GLU 10 2HG GLU 10 -7.883 -7.657 24.627 70 H VAL 11 H VAL 11 -5.833 -10.472 21.278 71 HA VAL 11 HA VAL 11 -5.310 -9.498 18.599 72 HB VAL 11 HB VAL 11 -5.414 -12.312 19.740 73 HG11 VAL 11 1HG1 VAL 11 -4.034 -12.779 17.609 74 HG12 VAL 11 2HG1 VAL 11 -4.675 -11.250 17.006 75 HG13 VAL 11 3HG1 VAL 11 -5.774 -12.571 17.404 76 HG21 VAL 11 3HG2 VAL 11 -2.955 -12.116 19.646 77 HG22 VAL 11 1HG2 VAL 11 -3.637 -10.830 20.644 78 HG23 VAL 11 2HG2 VAL 11 -3.103 -10.483 18.999 79 H CYS 12 H CYS 12 -6.587 -9.497 16.877 80 HA CYS 12 HA CYS 12 -9.404 -10.384 17.190 81 HB2 CYS 12 1HB CYS 12 -8.136 -8.808 14.928 82 HB3 CYS 12 2HB CYS 12 -9.858 -9.008 15.252 83 HG CYS 12 HG CYS 12 -8.636 -7.810 17.693 84 H GLU 13 H GLU 13 -10.356 -11.873 15.894 85 HA GLU 13 HA GLU 13 -9.031 -13.050 13.577 86 HB2 GLU 13 1HB GLU 13 -7.853 -14.179 15.447 87 HB3 GLU 13 2HB GLU 13 -9.408 -14.744 16.064 88 HG2 GLU 13 1HG GLU 13 -9.824 -15.985 14.003 89 HG3 GLU 13 2HG GLU 13 -8.339 -15.351 13.293 90 H ALA 14 H ALA 14 -11.067 -12.318 12.709 91 HA ALA 14 HA ALA 14 -13.558 -13.567 13.656 92 HB1 ALA 14 3HB ALA 14 -13.032 -11.838 11.214 93 HB2 ALA 14 1HB ALA 14 -13.578 -11.251 12.786 94 HB3 ALA 14 2HB ALA 14 -14.617 -12.305 11.830 95 H CYS 15 H CYS 15 -13.710 -15.661 13.233 96 HA CYS 15 HA CYS 15 -13.539 -17.721 12.110 97 HB2 CYS 15 1HB CYS 15 -14.682 -15.995 9.896 98 HB3 CYS 15 2HB CYS 15 -14.860 -17.740 10.063 99 HG CYS 15 HG CYS 15 -16.899 -16.166 11.127 100 H GLY 16 H GLY 16 -11.081 -16.895 12.181 101 HA2 GLY 16 1HA GLY 16 -9.790 -16.265 9.696 102 HA3 GLY 16 2HA GLY 16 -8.992 -16.900 11.133 103 H CYS 17 H CYS 17 -8.878 -17.543 8.185 104 HA CYS 17 HA CYS 17 -9.725 -20.375 8.094 105 HB2 CYS 17 1HB CYS 17 -9.192 -20.287 5.773 106 HB3 CYS 17 2HB CYS 17 -9.932 -18.729 6.137 107 HG CYS 17 HG CYS 17 -7.832 -17.656 5.394 108 H ALA 18 H ALA 18 -8.329 -22.075 8.080 109 HA ALA 18 HA ALA 18 -5.703 -21.669 9.274 110 HB1 ALA 18 3HB ALA 18 -5.554 -24.173 9.074 111 HB2 ALA 18 1HB ALA 18 -7.107 -24.161 8.236 112 HB3 ALA 18 2HB ALA 18 -7.005 -23.632 9.916 113 H GLY 19 H GLY 19 -6.434 -23.770 6.516 114 HA2 GLY 19 1HA GLY 19 -3.867 -23.083 5.269 115 HA3 GLY 19 2HA GLY 19 -5.001 -24.309 4.711 116 H GLU 20 H GLU 20 -3.562 -21.842 3.550 117 HA GLU 20 HA GLU 20 -5.636 -20.052 2.626 118 HB2 GLU 20 1HB GLU 20 -3.088 -19.623 2.778 119 HB3 GLU 20 2HB GLU 20 -2.977 -20.506 1.255 120 HG2 GLU 20 1HG GLU 20 -3.170 -18.189 0.672 121 HG3 GLU 20 2HG GLU 20 -4.741 -18.913 0.344 122 H ILE 21 H ILE 21 -6.460 -19.899 0.520 123 HA ILE 21 HA ILE 21 -6.879 -22.507 -0.815 124 HB ILE 21 HB ILE 21 -8.619 -21.240 -2.088 125 HG12 ILE 21 1HG1 ILE 21 -7.853 -18.927 -0.274 126 HG13 ILE 21 2HG1 ILE 21 -7.430 -19.022 -1.982 127 HG21 ILE 21 1HG2 ILE 21 -9.157 -22.344 0.068 128 HG22 ILE 21 2HG2 ILE 21 -10.131 -20.896 -0.187 129 HG23 ILE 21 3HG2 ILE 21 -8.756 -20.853 0.919 130 HD11 ILE 21 3HD1 ILE 21 -10.247 -19.036 -0.855 131 HD12 ILE 21 1HD1 ILE 21 -9.832 -19.168 -2.565 132 HD13 ILE 21 2HD1 ILE 21 -9.470 -17.685 -1.680 133 H GLY 22 H GLY 22 -4.748 -19.984 -1.028 134 HA2 GLY 22 1HA GLY 22 -3.156 -19.357 -2.605 135 HA3 GLY 22 2HA GLY 22 -3.516 -20.867 -3.440 136 H PHE 23 H PHE 23 -3.740 -17.514 -3.537 137 HA PHE 23 HA PHE 23 -6.051 -17.255 -5.296 138 HB2 PHE 23 1HB PHE 23 -3.811 -15.350 -4.538 139 HB3 PHE 23 2HB PHE 23 -5.136 -14.909 -5.619 140 HD1 PHE 23 HD1 PHE 23 -7.493 -14.930 -4.789 141 HD2 PHE 23 HD2 PHE 23 -4.146 -15.530 -2.163 142 HE1 PHE 23 HE1 PHE 23 -8.945 -14.470 -2.831 143 HE2 PHE 23 HE2 PHE 23 -5.598 -15.070 -0.207 144 HZ PHE 23 HZ PHE 23 -7.999 -14.540 -0.541 145 H ILE 24 H ILE 24 -5.465 -15.841 -7.394 146 HA ILE 24 HA ILE 24 -4.244 -17.671 -9.233 147 HB ILE 24 HB ILE 24 -4.771 -14.705 -9.668 148 HG12 ILE 24 1HG1 ILE 24 -6.802 -15.764 -8.815 149 HG13 ILE 24 2HG1 ILE 24 -6.987 -15.489 -10.547 150 HG21 ILE 24 1HG2 ILE 24 -5.136 -15.549 -12.038 151 HG22 ILE 24 2HG2 ILE 24 -4.486 -17.099 -11.504 152 HG23 ILE 24 3HG2 ILE 24 -3.470 -15.657 -11.464 153 HD11 ILE 24 3HD1 ILE 24 -6.035 -17.943 -10.759 154 HD12 ILE 24 1HD1 ILE 24 -7.720 -17.701 -10.322 155 HD13 ILE 24 2HD1 ILE 24 -6.535 -18.074 -9.078 156 H ILE 25 H ILE 25 -3.101 -14.625 -7.793 157 HA ILE 25 HA ILE 25 -0.521 -14.825 -9.162 158 HB ILE 25 HB ILE 25 -1.530 -12.980 -6.969 159 HG12 ILE 25 1HG1 ILE 25 -0.903 -12.420 -9.886 160 HG13 ILE 25 2HG1 ILE 25 -2.520 -12.818 -9.303 161 HG21 ILE 25 1HG2 ILE 25 1.119 -13.115 -8.422 162 HG22 ILE 25 2HG2 ILE 25 0.833 -13.051 -6.683 163 HG23 ILE 25 3HG2 ILE 25 0.535 -11.627 -7.678 164 HD11 ILE 25 3HD1 ILE 25 -2.178 -10.364 -9.463 165 HD12 ILE 25 1HD1 ILE 25 -0.839 -10.490 -8.323 166 HD13 ILE 25 2HD1 ILE 25 -2.479 -10.874 -7.803 167 H ARG 26 H ARG 26 1.144 -15.960 -8.501 168 HA ARG 26 HA ARG 26 1.061 -17.507 -6.037 169 HB2 ARG 26 1HB ARG 26 2.017 -18.398 -8.155 170 HB3 ARG 26 2HB ARG 26 3.309 -17.199 -8.057 171 HG2 ARG 26 1HG ARG 26 4.032 -18.140 -5.896 172 HG3 ARG 26 2HG ARG 26 2.723 -19.318 -5.965 173 HD2 ARG 26 1HD ARG 26 4.777 -20.383 -6.727 174 HD3 ARG 26 2HD ARG 26 3.684 -20.192 -8.097 175 HE ARG 26 HE ARG 26 5.168 -18.584 -9.029 176 HH11 ARG 26 1HH2 ARG 26 6.029 -19.460 -5.782 177 HH12 ARG 26 2HH2 ARG 26 7.572 -18.675 -5.857 178 HH21 ARG 26 1HH1 ARG 26 7.171 -17.570 -9.114 179 HH22 ARG 26 2HH1 ARG 26 8.212 -17.605 -7.731 180 H GLU 27 H GLU 27 2.014 -17.083 -4.175 181 HA GLU 27 HA GLU 27 3.238 -14.486 -3.694 182 HB2 GLU 27 1HB GLU 27 3.410 -15.314 -1.342 183 HB3 GLU 27 2HB GLU 27 1.778 -15.453 -1.995 184 HG2 GLU 27 1HG GLU 27 2.196 -17.836 -2.525 185 HG3 GLU 27 2HG GLU 27 3.822 -17.697 -1.860 186 H GLY 28 H GLY 28 5.334 -14.085 -3.062 187 HA2 GLY 28 1HA GLY 28 7.349 -16.066 -2.633 188 HA3 GLY 28 2HA GLY 28 7.419 -15.525 -4.308 189 H ASP 29 H ASP 29 9.601 -14.884 -3.355 190 HA ASP 29 HA ASP 29 9.824 -12.628 -1.586 191 HB2 ASP 29 1HB ASP 29 11.720 -13.856 -3.613 192 HB3 ASP 29 2HB ASP 29 12.172 -12.501 -2.578 193 H ASP 30 H ASP 30 8.935 -12.950 -4.868 194 HA ASP 30 HA ASP 30 9.722 -10.204 -5.631 195 HB2 ASP 30 1HB ASP 30 8.636 -10.798 -7.807 196 HB3 ASP 30 2HB ASP 30 9.902 -11.928 -7.342 197 H VAL 31 H VAL 31 7.338 -11.444 -3.765 198 HA VAL 31 HA VAL 31 5.381 -9.327 -4.579 199 HB VAL 31 HB VAL 31 4.848 -12.110 -3.542 200 HG11 VAL 31 1HG1 VAL 31 3.091 -9.652 -3.648 201 HG12 VAL 31 2HG1 VAL 31 3.331 -10.773 -2.308 202 HG13 VAL 31 3HG1 VAL 31 2.397 -11.272 -3.717 203 HG21 VAL 31 3HG2 VAL 31 4.047 -10.577 -6.040 204 HG22 VAL 31 1HG2 VAL 31 3.405 -12.160 -5.604 205 HG23 VAL 31 2HG2 VAL 31 5.122 -11.972 -5.958 206 H ALA 32 H ALA 32 4.810 -7.927 -3.053 207 HA ALA 32 HA ALA 32 5.688 -8.449 -0.225 208 HB1 ALA 32 3HB ALA 32 5.667 -5.867 -0.124 209 HB2 ALA 32 1HB ALA 32 5.644 -5.927 -1.886 210 HB3 ALA 32 2HB ALA 32 6.990 -6.637 -0.995 211 H GLU 33 H GLU 33 4.334 -7.784 1.412 212 HA GLU 33 HA GLU 33 1.452 -7.605 0.685 213 HB2 GLU 33 1HB GLU 33 1.062 -8.204 3.047 214 HB3 GLU 33 2HB GLU 33 2.112 -9.381 2.260 215 HG2 GLU 33 1HG GLU 33 4.096 -8.166 3.206 216 HG3 GLU 33 2HG GLU 33 2.985 -7.118 4.087 217 H VAL 34 H VAL 34 0.185 -5.932 1.314 218 HA VAL 34 HA VAL 34 1.488 -3.619 2.722 219 HB VAL 34 HB VAL 34 -0.356 -3.589 0.313 220 HG11 VAL 34 1HG1 VAL 34 -0.024 -1.045 0.584 221 HG12 VAL 34 2HG1 VAL 34 0.475 -1.410 2.235 222 HG13 VAL 34 3HG1 VAL 34 -1.152 -1.824 1.693 223 HG21 VAL 34 3HG2 VAL 34 2.137 -3.933 0.004 224 HG22 VAL 34 1HG2 VAL 34 2.373 -2.348 0.740 225 HG23 VAL 34 2HG2 VAL 34 1.490 -2.491 -0.777 226 H SER 35 H SER 35 0.361 -2.798 4.362 227 HA SER 35 HA SER 35 -2.537 -3.465 4.666 228 HB2 SER 35 1HB SER 35 -2.096 -3.922 7.091 229 HB3 SER 35 2HB SER 35 -1.394 -5.119 6.007 230 HG SER 35 HG SER 35 0.582 -3.867 6.169 231 H LEU 36 H LEU 36 -3.685 -1.751 5.213 232 HA LEU 36 HA LEU 36 -2.346 0.576 6.534 233 HB2 LEU 36 1HB LEU 36 -2.790 0.943 4.070 234 HB3 LEU 36 2HB LEU 36 -4.507 0.765 4.415 235 HG LEU 36 HG LEU 36 -4.245 2.611 6.146 236 HD11 LEU 36 1HD1 LEU 36 -1.961 2.790 6.613 237 HD12 LEU 36 2HD1 LEU 36 -2.191 4.125 5.499 238 HD13 LEU 36 3HD1 LEU 36 -1.490 2.620 4.925 239 HD21 LEU 36 3HD2 LEU 36 -5.243 3.050 3.952 240 HD22 LEU 36 1HD2 LEU 36 -3.638 3.255 3.248 241 HD23 LEU 36 2HD2 LEU 36 -4.233 4.411 4.439 242 H PHE 37 H PHE 37 -3.473 1.509 8.150 243 HA PHE 37 HA PHE 37 -6.295 0.698 8.642 244 HB2 PHE 37 1HB PHE 37 -5.756 0.307 11.037 245 HB3 PHE 37 2HB PHE 37 -4.948 -0.845 9.978 246 HD1 PHE 37 HD2 PHE 37 -4.489 2.145 12.109 247 HD2 PHE 37 HD1 PHE 37 -2.540 -0.822 9.691 248 HE1 PHE 37 HE2 PHE 37 -2.292 2.835 13.034 249 HE2 PHE 37 HE1 PHE 37 -0.341 -0.130 10.617 250 HZ PHE 37 HZ PHE 37 -0.219 1.697 12.288 251 H GLY 38 H GLY 38 -7.484 2.168 9.795 252 HA2 GLY 38 1HA GLY 38 -6.881 4.303 11.351 253 HA3 GLY 38 2HA GLY 38 -6.466 4.930 9.755 254 H SER 39 H SER 39 -8.794 5.123 11.904 255 HA SER 39 HA SER 39 -11.103 5.492 11.890 256 HB2 SER 39 1HB SER 39 -10.542 6.448 9.079 257 HB3 SER 39 2HB SER 39 -11.857 6.958 10.128 258 HG SER 39 HG SER 39 -9.451 7.998 9.937 259 H ASP 40 H ASP 40 -12.658 5.481 9.338 260 HA ASP 40 HA ASP 40 -13.279 2.603 9.358 261 HB2 ASP 40 1HB ASP 40 -15.240 3.246 8.036 262 HB3 ASP 40 2HB ASP 40 -15.093 4.285 9.450 263 H LYS 41 H LYS 41 -14.060 1.879 6.995 264 HA LYS 41 HA LYS 41 -11.685 1.386 5.496 265 HB2 LYS 41 1HB LYS 41 -13.727 -0.061 5.458 266 HB3 LYS 41 2HB LYS 41 -14.562 1.183 4.524 267 HG2 LYS 41 1HG LYS 41 -12.864 1.000 2.746 268 HG3 LYS 41 2HG LYS 41 -12.006 -0.222 3.683 269 HD2 LYS 41 1HD LYS 41 -14.014 -1.679 3.587 270 HD3 LYS 41 2HD LYS 41 -14.836 -0.462 2.617 271 HE2 LYS 41 1HE LYS 41 -13.135 -0.672 0.860 272 HE3 LYS 41 2HE LYS 41 -12.255 -1.849 1.834 273 HZ1 LYS 41 3HZ LYS 41 -15.022 -2.173 0.803 274 HZ2 LYS 41 1HZ LYS 41 -14.192 -3.299 1.761 275 HZ3 LYS 41 2HZ LYS 41 -13.636 -2.946 0.196 276 H ALA 42 H ALA 42 -14.361 3.674 4.970 277 HA ALA 42 HA ALA 42 -13.758 4.658 2.431 278 HB1 ALA 42 3HB ALA 42 -14.718 6.846 3.257 279 HB2 ALA 42 1HB ALA 42 -14.720 6.168 4.887 280 HB3 ALA 42 2HB ALA 42 -15.717 5.441 3.626 281 H HIS 43 H HIS 43 -12.301 5.579 5.521 282 HA HIS 43 HA HIS 43 -10.613 7.675 4.550 283 HB2 HIS 43 1HB HIS 43 -11.130 7.252 6.959 284 HB3 HIS 43 2HB HIS 43 -10.150 5.785 6.886 285 HD1 HIS 43 HD1 HIS 43 -7.704 6.064 7.328 286 HD2 HIS 43 HD2 HIS 43 -9.516 9.682 6.327 287 HE1 HIS 43 HE1 HIS 43 -5.930 7.851 7.598 288 H LEU 44 H LEU 44 -10.102 4.188 4.951 289 HA LEU 44 HA LEU 44 -7.337 4.125 4.217 290 HB2 LEU 44 1HB LEU 44 -9.394 1.938 3.756 291 HB3 LEU 44 2HB LEU 44 -7.653 1.740 3.956 292 HG LEU 44 HG LEU 44 -9.556 2.802 6.064 293 HD11 LEU 44 1HD1 LEU 44 -9.590 0.292 5.478 294 HD12 LEU 44 2HD1 LEU 44 -9.309 0.715 7.167 295 HD13 LEU 44 3HD1 LEU 44 -7.955 0.241 6.141 296 HD21 LEU 44 3HD2 LEU 44 -6.560 2.469 5.931 297 HD22 LEU 44 1HD2 LEU 44 -7.398 2.399 7.480 298 HD23 LEU 44 2HD2 LEU 44 -7.495 3.854 6.499 299 H GLU 45 H GLU 45 -10.310 3.854 2.319 300 HA GLU 45 HA GLU 45 -9.103 3.200 -0.181 301 HB2 GLU 45 1HB GLU 45 -11.669 4.711 0.427 302 HB3 GLU 45 2HB GLU 45 -11.225 4.102 -1.167 303 HG2 GLU 45 1HG GLU 45 -11.499 2.372 1.309 304 HG3 GLU 45 2HG GLU 45 -12.746 2.550 0.074 305 H GLY 46 H GLY 46 -9.817 6.302 1.362 306 HA2 GLY 46 1HA GLY 46 -9.148 8.010 -0.825 307 HA3 GLY 46 2HA GLY 46 -9.095 8.471 0.877 308 H LYS 47 H LYS 47 -7.182 6.664 1.815 309 HA LYS 47 HA LYS 47 -4.734 7.951 0.822 310 HB2 LYS 47 1HB LYS 47 -5.288 5.961 3.043 311 HB3 LYS 47 2HB LYS 47 -3.670 6.538 2.642 312 HG2 LYS 47 1HG LYS 47 -4.352 8.848 3.065 313 HG3 LYS 47 2HG LYS 47 -6.009 8.332 3.363 314 HD2 LYS 47 1HD LYS 47 -5.084 8.561 5.531 315 HD3 LYS 47 2HD LYS 47 -5.019 6.827 5.217 316 HE2 LYS 47 1HE LYS 47 -2.675 6.938 4.665 317 HE3 LYS 47 2HE LYS 47 -2.697 8.699 4.667 318 HZ1 LYS 47 3HZ LYS 47 -3.678 7.868 7.122 319 HZ2 LYS 47 1HZ LYS 47 -2.196 8.626 6.800 320 HZ3 LYS 47 2HZ LYS 47 -2.294 6.930 6.818 321 H LEU 48 H LEU 48 -6.464 5.036 0.283 322 HA LEU 48 HA LEU 48 -4.326 3.291 -0.441 323 HB2 LEU 48 1HB LEU 48 -6.630 2.469 -0.074 324 HB3 LEU 48 2HB LEU 48 -7.188 3.376 -1.481 325 HG LEU 48 HG LEU 48 -5.700 2.047 -2.936 326 HD11 LEU 48 1HD1 LEU 48 -4.826 0.933 -0.279 327 HD12 LEU 48 2HD1 LEU 48 -3.850 1.407 -1.671 328 HD13 LEU 48 3HD1 LEU 48 -4.756 -0.098 -1.708 329 HD21 LEU 48 3HD2 LEU 48 -7.918 1.179 -2.702 330 HD22 LEU 48 1HD2 LEU 48 -7.552 0.498 -1.116 331 HD23 LEU 48 2HD2 LEU 48 -6.822 -0.196 -2.564 332 H ALA 49 H ALA 49 -6.225 5.661 -2.242 333 HA ALA 49 HA ALA 49 -5.305 5.121 -4.868 334 HB1 ALA 49 3HB ALA 49 -7.118 6.656 -4.604 335 HB2 ALA 49 1HB ALA 49 -5.780 7.622 -5.224 336 HB3 ALA 49 2HB ALA 49 -6.190 7.681 -3.509 337 H GLU 50 H GLU 50 -3.899 7.162 -2.318 338 HA GLU 50 HA GLU 50 -1.718 8.165 -3.926 339 HB2 GLU 50 1HB GLU 50 -2.033 7.905 -0.912 340 HB3 GLU 50 2HB GLU 50 -0.702 8.754 -1.696 341 HG2 GLU 50 1HG GLU 50 -3.638 9.426 -2.068 342 HG3 GLU 50 2HG GLU 50 -2.538 10.293 -0.998 343 H TYR 51 H TYR 51 -2.138 5.373 -1.805 344 HA TYR 51 HA TYR 51 0.580 4.511 -1.695 345 HB2 TYR 51 1HB TYR 51 -2.100 3.166 -1.357 346 HB3 TYR 51 2HB TYR 51 -0.655 2.157 -1.439 347 HD1 TYR 51 HD2 TYR 51 -1.146 5.569 0.052 348 HD2 TYR 51 HD1 TYR 51 -0.232 1.432 0.756 349 HE1 TYR 51 HE2 TYR 51 -0.627 6.091 2.404 350 HE2 TYR 51 HE1 TYR 51 0.292 1.960 3.122 351 HH TYR 51 HH TYR 51 -0.400 5.089 4.497 352 H ILE 52 H ILE 52 -2.030 3.731 -3.979 353 HA ILE 52 HA ILE 52 -0.546 1.872 -5.575 354 HB ILE 52 HB ILE 52 -2.891 3.678 -6.269 355 HG12 ILE 52 1HG1 ILE 52 -2.798 0.684 -5.799 356 HG13 ILE 52 2HG1 ILE 52 -3.181 1.843 -4.528 357 HG21 ILE 52 1HG2 ILE 52 -1.466 1.534 -7.851 358 HG22 ILE 52 2HG2 ILE 52 -1.872 3.176 -8.350 359 HG23 ILE 52 3HG2 ILE 52 -3.144 1.967 -8.181 360 HD11 ILE 52 3HD1 ILE 52 -5.213 0.888 -5.663 361 HD12 ILE 52 1HD1 ILE 52 -4.678 1.659 -7.156 362 HD13 ILE 52 2HD1 ILE 52 -5.110 2.646 -5.762 363 H SER 53 H SER 53 -1.043 5.364 -5.790 364 HA SER 53 HA SER 53 0.280 5.863 -8.244 365 HB2 SER 53 1HB SER 53 -0.971 7.650 -7.267 366 HB3 SER 53 2HB SER 53 -0.101 7.527 -5.740 367 HG SER 53 HG SER 53 0.501 9.240 -7.370 368 H LEU 54 H LEU 54 1.520 5.701 -4.928 369 HA LEU 54 HA LEU 54 4.227 6.407 -5.507 370 HB2 LEU 54 1HB LEU 54 3.015 4.689 -3.306 371 HB3 LEU 54 2HB LEU 54 4.706 5.176 -3.334 372 HG LEU 54 HG LEU 54 2.398 7.143 -3.428 373 HD11 LEU 54 1HD1 LEU 54 2.740 7.527 -1.064 374 HD12 LEU 54 2HD1 LEU 54 4.106 6.414 -1.032 375 HD13 LEU 54 3HD1 LEU 54 2.476 5.799 -1.293 376 HD21 LEU 54 3HD2 LEU 54 5.402 7.365 -3.232 377 HD22 LEU 54 1HD2 LEU 54 4.387 8.616 -2.521 378 HD23 LEU 54 2HD2 LEU 54 4.280 8.280 -4.239 379 H ALA 55 H ALA 55 2.536 3.302 -5.432 380 HA ALA 55 HA ALA 55 4.829 1.641 -5.882 381 HB1 ALA 55 3HB ALA 55 1.990 1.035 -6.760 382 HB2 ALA 55 1HB ALA 55 2.529 0.896 -5.086 383 HB3 ALA 55 2HB ALA 55 3.255 -0.114 -6.331 384 H LYS 56 H LYS 56 2.552 3.225 -8.086 385 HA LYS 56 HA LYS 56 3.493 2.005 -10.503 386 HB2 LYS 56 1HB LYS 56 2.079 4.628 -9.949 387 HB3 LYS 56 2HB LYS 56 2.480 4.093 -11.584 388 HG2 LYS 56 1HG LYS 56 1.206 2.016 -11.227 389 HG3 LYS 56 2HG LYS 56 0.809 2.536 -9.589 390 HD2 LYS 56 1HD LYS 56 -0.413 4.461 -10.446 391 HD3 LYS 56 2HD LYS 56 0.072 4.073 -12.096 392 HE2 LYS 56 1HE LYS 56 -1.477 2.123 -10.382 393 HE3 LYS 56 2HE LYS 56 -2.280 3.323 -11.396 394 HZ1 LYS 56 3HZ LYS 56 -0.670 0.997 -12.176 395 HZ2 LYS 56 1HZ LYS 56 -0.676 2.355 -13.192 396 HZ3 LYS 56 2HZ LYS 56 -2.134 1.565 -12.824 397 H GLN 57 H GLN 57 4.422 4.974 -8.802 398 HA GLN 57 HA GLN 57 6.241 5.976 -10.757 399 HB2 GLN 57 1HB GLN 57 6.171 6.274 -7.731 400 HB3 GLN 57 2HB GLN 57 7.280 7.171 -8.769 401 HG2 GLN 57 1HG GLN 57 5.381 8.139 -9.994 402 HG3 GLN 57 2HG GLN 57 4.254 7.217 -9.003 403 HE21 GLN 57 2HE2 GLN 57 3.622 9.724 -8.701 404 HE22 GLN 57 1HE2 GLN 57 4.308 10.468 -7.337 405 H VAL 58 H VAL 58 6.742 3.868 -7.940 406 HA VAL 58 HA VAL 58 9.568 3.493 -8.315 407 HB VAL 58 HB VAL 58 7.480 1.772 -6.928 408 HG11 VAL 58 1HG1 VAL 58 9.603 0.924 -5.716 409 HG12 VAL 58 2HG1 VAL 58 10.491 1.586 -7.089 410 HG13 VAL 58 3HG1 VAL 58 9.298 0.312 -7.343 411 HG21 VAL 58 3HG2 VAL 58 7.706 3.975 -5.920 412 HG22 VAL 58 1HG2 VAL 58 9.465 3.849 -5.950 413 HG23 VAL 58 2HG2 VAL 58 8.526 2.805 -4.884 414 H TYR 59 H TYR 59 6.713 1.610 -9.307 415 HA TYR 59 HA TYR 59 8.353 0.343 -11.457 416 HB2 TYR 59 1HB TYR 59 8.319 -1.254 -9.592 417 HB3 TYR 59 2HB TYR 59 6.559 -1.157 -9.524 418 HD1 TYR 59 HD2 TYR 59 9.376 -1.953 -11.856 419 HD2 TYR 59 HD1 TYR 59 5.248 -2.593 -10.854 420 HE1 TYR 59 HE2 TYR 59 9.215 -3.688 -13.621 421 HE2 TYR 59 HE1 TYR 59 5.087 -4.326 -12.620 422 HH TYR 59 HH TYR 59 7.340 -5.917 -13.843 423 H ALA 60 H ALA 60 7.356 0.766 -13.297 424 HA ALA 60 HA ALA 60 4.623 1.686 -13.493 425 HB1 ALA 60 3HB ALA 60 6.692 0.886 -15.555 426 HB2 ALA 60 1HB ALA 60 6.171 2.512 -15.115 427 HB3 ALA 60 2HB ALA 60 5.078 1.445 -15.995 428 H ASN 61 H ASN 61 2.866 0.665 -14.432 429 HA ASN 61 HA ASN 61 1.397 -1.090 -14.877 430 HB2 ASN 61 1HB ASN 61 3.116 -1.438 -16.714 431 HB3 ASN 61 2HB ASN 61 3.854 -2.661 -15.681 432 HD21 ASN 61 2HD2 ASN 61 2.570 -3.196 -18.262 433 HD22 ASN 61 1HD2 ASN 61 1.251 -4.221 -17.955 434 H VAL 62 H VAL 62 2.241 -0.762 -12.267 435 HA VAL 62 HA VAL 62 3.034 -3.331 -11.121 436 HB VAL 62 HB VAL 62 3.619 -1.066 -10.142 437 HG11 VAL 62 1HG1 VAL 62 0.816 -1.110 -9.013 438 HG12 VAL 62 2HG1 VAL 62 1.207 -0.212 -10.480 439 HG13 VAL 62 3HG1 VAL 62 2.000 0.197 -8.959 440 HG21 VAL 62 3HG2 VAL 62 3.692 -3.257 -8.891 441 HG22 VAL 62 1HG2 VAL 62 2.084 -2.888 -8.270 442 HG23 VAL 62 2HG2 VAL 62 3.449 -1.848 -7.866 443 H GLU 63 H GLU 63 1.747 -4.831 -10.230 444 HA GLU 63 HA GLU 63 -1.221 -4.420 -10.402 445 HB2 GLU 63 1HB GLU 63 0.463 -6.932 -10.609 446 HB3 GLU 63 2HB GLU 63 -1.298 -6.932 -10.503 447 HG2 GLU 63 1HG GLU 63 -1.452 -5.570 -12.530 448 HG3 GLU 63 2HG GLU 63 0.307 -5.484 -12.630 449 H TYR 64 H TYR 64 -2.485 -5.010 -8.699 450 HA TYR 64 HA TYR 64 -1.291 -6.128 -6.248 451 HB2 TYR 64 1HB TYR 64 -2.028 -4.246 -4.848 452 HB3 TYR 64 2HB TYR 64 -0.883 -3.694 -6.067 453 HD1 TYR 64 HD1 TYR 64 -1.641 -2.382 -8.019 454 HD2 TYR 64 HD2 TYR 64 -4.367 -3.587 -4.923 455 HE1 TYR 64 HE1 TYR 64 -3.309 -0.744 -8.849 456 HE2 TYR 64 HE2 TYR 64 -6.034 -1.950 -5.756 457 HH TYR 64 HH TYR 64 -5.893 -0.543 -8.741 458 H GLU 65 H GLU 65 -2.960 -6.637 -4.634 459 HA GLU 65 HA GLU 65 -5.750 -6.743 -5.704 460 HB2 GLU 65 1HB GLU 65 -4.138 -9.084 -4.640 461 HB3 GLU 65 2HB GLU 65 -5.885 -9.121 -4.889 462 HG2 GLU 65 1HG GLU 65 -3.867 -8.473 -7.055 463 HG3 GLU 65 2HG GLU 65 -4.603 -10.058 -6.827 464 H VAL 66 H VAL 66 -7.356 -6.891 -4.133 465 HA VAL 66 HA VAL 66 -6.480 -6.370 -1.307 466 HB VAL 66 HB VAL 66 -8.737 -5.114 -2.889 467 HG11 VAL 66 1HG1 VAL 66 -8.148 -5.170 0.074 468 HG12 VAL 66 2HG1 VAL 66 -9.672 -5.515 -0.742 469 HG13 VAL 66 3HG1 VAL 66 -9.073 -3.860 -0.658 470 HG21 VAL 66 3HG2 VAL 66 -6.513 -4.105 -3.209 471 HG22 VAL 66 1HG2 VAL 66 -6.310 -3.984 -1.460 472 HG23 VAL 66 2HG2 VAL 66 -7.548 -3.025 -2.272 473 H ALA 67 H ALA 67 -7.306 -7.665 0.172 474 HA ALA 67 HA ALA 67 -9.135 -9.782 -0.628 475 HB1 ALA 67 3HB ALA 67 -8.619 -9.638 2.269 476 HB2 ALA 67 1HB ALA 67 -7.133 -9.523 1.329 477 HB3 ALA 67 2HB ALA 67 -8.196 -10.913 1.130 478 HA PRO 68 HA PRO 68 -13.005 -8.326 0.850 479 HB2 PRO 68 1HB PRO 68 -13.114 -10.427 2.979 480 HB3 PRO 68 2HB PRO 68 -14.246 -10.108 1.649 481 HG2 PRO 68 1HG PRO 68 -12.576 -12.195 1.592 482 HG3 PRO 68 2HG PRO 68 -12.987 -11.293 0.121 483 HD2 PRO 68 1HD PRO 68 -10.467 -11.206 1.743 484 HD3 PRO 68 2HD PRO 68 -10.704 -11.088 -0.012 485 H VAL 69 H VAL 69 -13.304 -6.515 2.001 486 HA VAL 69 HA VAL 69 -12.478 -6.436 4.876 487 HB VAL 69 HB VAL 69 -11.853 -4.375 2.741 488 HG11 VAL 69 1HG1 VAL 69 -10.837 -3.106 4.680 489 HG12 VAL 69 2HG1 VAL 69 -11.685 -4.210 5.761 490 HG13 VAL 69 3HG1 VAL 69 -12.598 -3.152 4.690 491 HG21 VAL 69 3HG2 VAL 69 -10.072 -5.841 4.708 492 HG22 VAL 69 1HG2 VAL 69 -9.556 -4.802 3.382 493 HG23 VAL 69 2HG2 VAL 69 -10.321 -6.351 3.038 494 H ALA 70 H ALA 70 -13.953 -5.574 6.172 495 HA ALA 70 HA ALA 70 -16.602 -4.907 5.218 496 HB1 ALA 70 3HB ALA 70 -15.594 -4.320 8.004 497 HB2 ALA 70 1HB ALA 70 -15.896 -5.976 7.479 498 HB3 ALA 70 2HB ALA 70 -17.209 -4.800 7.494 499 H ASP 71 H ASP 71 -17.677 -2.917 5.400 500 HA ASP 71 HA ASP 71 -16.216 -0.613 4.569 501 HB2 ASP 71 1HB ASP 71 -19.025 -0.947 5.673 502 HB3 ASP 71 2HB ASP 71 -18.396 0.608 5.131 503 H ASN 72 H ASN 72 -17.361 -1.682 7.733 504 HA ASN 72 HA ASN 72 -16.379 0.800 9.029 505 HB2 ASN 72 1HB ASN 72 -17.369 -0.144 11.064 506 HB3 ASN 72 2HB ASN 72 -18.533 -0.209 9.743 507 HD21 ASN 72 2HD2 ASN 72 -19.414 -1.984 11.335 508 HD22 ASN 72 1HD2 ASN 72 -18.840 -3.564 11.092 509 H ALA 73 H ALA 73 -14.805 -1.674 7.807 510 HA ALA 73 HA ALA 73 -13.292 -2.791 9.984 511 HB1 ALA 73 3HB ALA 73 -12.563 -2.463 7.056 512 HB2 ALA 73 1HB ALA 73 -13.327 -3.872 7.787 513 HB3 ALA 73 2HB ALA 73 -11.673 -3.453 8.213 514 H THR 74 H THR 74 -11.339 -2.179 10.842 515 HA THR 74 HA THR 74 -10.556 0.667 10.395 516 HB THR 74 HB THR 74 -9.484 -1.143 12.579 517 HG1 THR 74 HG1 THR 74 -12.037 -0.232 12.217 518 HG21 THR 74 3HG2 THR 74 -8.409 1.026 12.274 519 HG22 THR 74 1HG2 THR 74 -9.350 1.043 13.766 520 HG23 THR 74 2HG2 THR 74 -9.974 1.836 12.322 521 H GLU 75 H GLU 75 -9.731 -2.369 9.357 522 HA GLU 75 HA GLU 75 -6.966 -1.481 8.654 523 HB2 GLU 75 1HB GLU 75 -6.817 -3.058 10.556 524 HB3 GLU 75 2HB GLU 75 -7.716 -4.255 9.620 525 HG2 GLU 75 1HG GLU 75 -5.951 -4.264 7.906 526 HG3 GLU 75 2HG GLU 75 -5.070 -3.023 8.792 527 H LEU 76 H LEU 76 -6.210 -2.278 6.696 528 HA LEU 76 HA LEU 76 -8.190 -3.722 4.973 529 HB2 LEU 76 1HB LEU 76 -8.289 -1.342 4.438 530 HB3 LEU 76 2HB LEU 76 -6.540 -1.283 4.240 531 HG LEU 76 HG LEU 76 -7.847 -3.414 2.619 532 HD11 LEU 76 1HD1 LEU 76 -9.621 -1.800 2.393 533 HD12 LEU 76 2HD1 LEU 76 -8.666 -1.766 0.911 534 HD13 LEU 76 3HD1 LEU 76 -8.468 -0.495 2.118 535 HD21 LEU 76 3HD2 LEU 76 -5.483 -2.797 2.356 536 HD22 LEU 76 1HD2 LEU 76 -5.943 -1.137 1.975 537 HD23 LEU 76 2HD2 LEU 76 -6.374 -2.444 0.875 538 H HIS 77 H HIS 77 -7.352 -5.418 4.007 539 HA HIS 77 HA HIS 77 -4.407 -5.861 4.091 540 HB2 HIS 77 1HB HIS 77 -6.728 -7.741 3.527 541 HB3 HIS 77 2HB HIS 77 -5.030 -8.211 3.465 542 HD1 HIS 77 HD1 HIS 77 -7.727 -7.179 5.876 543 HD2 HIS 77 HD2 HIS 77 -3.767 -8.477 5.987 544 HE1 HIS 77 HE1 HIS 77 -7.208 -7.691 8.302 545 H ALA 78 H ALA 78 -3.216 -5.795 2.319 546 HA ALA 78 HA ALA 78 -4.423 -6.118 -0.363 547 HB1 ALA 78 3HB ALA 78 -2.693 -3.714 0.211 548 HB2 ALA 78 1HB ALA 78 -4.447 -3.645 0.351 549 HB3 ALA 78 2HB ALA 78 -3.707 -4.029 -1.198 550 H ARG 79 H ARG 79 -2.863 -6.500 -1.998 551 HA ARG 79 HA ARG 79 -0.117 -7.213 -1.015 552 HB2 ARG 79 1HB ARG 79 -1.964 -8.821 -2.804 553 HB3 ARG 79 2HB ARG 79 -0.241 -9.154 -2.623 554 HG2 ARG 79 1HG ARG 79 -0.536 -9.445 -0.203 555 HG3 ARG 79 2HG ARG 79 -2.257 -9.093 -0.362 556 HD2 ARG 79 1HD ARG 79 -2.527 -11.051 -1.842 557 HD3 ARG 79 2HD ARG 79 -0.807 -11.409 -1.686 558 HE ARG 79 HE ARG 79 -2.146 -11.240 0.895 559 HH11 ARG 79 1HH2 ARG 79 -1.444 -13.242 -1.855 560 HH12 ARG 79 2HH2 ARG 79 -1.607 -14.719 -0.964 561 HH21 ARG 79 1HH1 ARG 79 -2.358 -13.160 2.036 562 HH22 ARG 79 2HH1 ARG 79 -2.123 -14.673 1.226 563 H PHE 80 H PHE 80 1.505 -6.618 -2.299 564 HA PHE 80 HA PHE 80 0.896 -5.512 -5.021 565 HB2 PHE 80 1HB PHE 80 2.553 -4.310 -2.792 566 HB3 PHE 80 2HB PHE 80 2.780 -3.843 -4.478 567 HD1 PHE 80 HD2 PHE 80 0.084 -4.242 -1.898 568 HD2 PHE 80 HD1 PHE 80 1.438 -2.159 -5.402 569 HE1 PHE 80 HE2 PHE 80 -1.861 -2.711 -1.743 570 HE2 PHE 80 HE1 PHE 80 -0.509 -0.631 -5.245 571 HZ PHE 80 HZ PHE 80 -2.158 -0.907 -3.415 572 H LYS 81 H LYS 81 2.485 -5.819 -6.551 573 HA LYS 81 HA LYS 81 4.784 -7.587 -5.789 574 HB2 LYS 81 1HB LYS 81 4.490 -8.847 -7.803 575 HB3 LYS 81 2HB LYS 81 2.923 -8.780 -7.007 576 HG2 LYS 81 1HG LYS 81 2.127 -8.050 -9.030 577 HG3 LYS 81 2HG LYS 81 2.822 -6.496 -8.584 578 HD2 LYS 81 1HD LYS 81 4.940 -7.130 -9.708 579 HD3 LYS 81 2HD LYS 81 4.226 -8.676 -10.158 580 HE2 LYS 81 1HE LYS 81 2.534 -7.565 -11.488 581 HE3 LYS 81 2HE LYS 81 3.096 -5.987 -10.940 582 HZ1 LYS 81 3HZ LYS 81 4.570 -7.939 -12.615 583 HZ2 LYS 81 1HZ LYS 81 5.282 -6.554 -11.941 584 HZ3 LYS 81 2HZ LYS 81 4.025 -6.396 -13.072 585 H PHE 82 H PHE 82 6.709 -7.216 -6.820 586 HA PHE 82 HA PHE 82 6.844 -4.855 -8.675 587 HB2 PHE 82 1HB PHE 82 8.643 -5.424 -6.290 588 HB3 PHE 82 2HB PHE 82 8.919 -4.163 -7.490 589 HD1 PHE 82 HD2 PHE 82 7.451 -2.211 -7.641 590 HD2 PHE 82 HD1 PHE 82 6.825 -5.235 -4.658 591 HE1 PHE 82 HE2 PHE 82 5.925 -0.686 -6.418 592 HE2 PHE 82 HE1 PHE 82 5.299 -3.709 -3.433 593 HZ PHE 82 HZ PHE 82 4.849 -1.435 -4.314 594 H GLU 83 H GLU 83 9.709 -6.342 -7.437 595 HA GLU 83 HA GLU 83 10.046 -8.467 -9.325 596 HB2 GLU 83 1HB GLU 83 11.814 -7.220 -10.740 597 HB3 GLU 83 2HB GLU 83 10.120 -6.892 -11.096 598 HG2 GLU 83 1HG GLU 83 10.192 -4.838 -9.777 599 HG3 GLU 83 2HG GLU 83 11.846 -5.182 -9.281 600 H VAL 84 H VAL 84 11.408 -5.995 -7.251 601 HA VAL 84 HA VAL 84 13.540 -7.925 -6.411 602 HB VAL 84 HB VAL 84 15.125 -6.056 -6.212 603 HG11 VAL 84 1HG1 VAL 84 15.185 -7.302 -8.280 604 HG12 VAL 84 2HG1 VAL 84 15.372 -5.595 -8.679 605 HG13 VAL 84 3HG1 VAL 84 13.821 -6.393 -8.926 606 HG21 VAL 84 3HG2 VAL 84 13.762 -4.143 -5.845 607 HG22 VAL 84 1HG2 VAL 84 12.782 -4.465 -7.273 608 HG23 VAL 84 2HG2 VAL 84 14.440 -3.896 -7.453 609 H SER 85 H SER 85 14.352 -7.503 -4.271 610 HA SER 85 HA SER 85 12.221 -6.819 -2.391 611 HB2 SER 85 1HB SER 85 15.074 -7.785 -2.065 612 HB3 SER 85 2HB SER 85 14.047 -7.393 -0.689 613 HG SER 85 HG SER 85 12.959 -9.163 -1.019 614 H ALA 86 H ALA 86 14.870 -5.189 -3.847 615 HA ALA 86 HA ALA 86 15.542 -3.301 -1.808 616 HB1 ALA 86 3HB ALA 86 15.590 -2.967 -4.833 617 HB2 ALA 86 1HB ALA 86 16.901 -3.620 -3.849 618 HB3 ALA 86 2HB ALA 86 16.427 -1.932 -3.676 619 H GLU 87 H GLU 87 13.123 -3.210 -4.413 620 HA GLU 87 HA GLU 87 12.171 -0.551 -3.869 621 HB2 GLU 87 1HB GLU 87 10.867 -2.931 -5.231 622 HB3 GLU 87 2HB GLU 87 10.148 -1.320 -5.179 623 HG2 GLU 87 1HG GLU 87 12.138 -0.387 -6.298 624 HG3 GLU 87 2HG GLU 87 12.868 -1.992 -6.345 625 H LYS 88 H LYS 88 11.450 -3.700 -2.546 626 HA LYS 88 HA LYS 88 8.961 -3.112 -1.279 627 HB2 LYS 88 1HB LYS 88 9.876 -5.410 -1.547 628 HB3 LYS 88 2HB LYS 88 11.145 -5.032 -0.382 629 HG2 LYS 88 1HG LYS 88 9.432 -4.594 1.345 630 HG3 LYS 88 2HG LYS 88 8.167 -4.976 0.177 631 HD2 LYS 88 1HD LYS 88 9.045 -7.257 -0.052 632 HD3 LYS 88 2HD LYS 88 10.352 -6.878 1.070 633 HE2 LYS 88 1HE LYS 88 8.585 -8.045 2.277 634 HE3 LYS 88 2HE LYS 88 8.646 -6.370 2.824 635 HZ1 LYS 88 3HZ LYS 88 6.813 -7.339 0.704 636 HZ2 LYS 88 1HZ LYS 88 6.792 -5.826 1.472 637 HZ3 LYS 88 2HZ LYS 88 6.378 -7.225 2.342 638 H LEU 89 H LEU 89 12.316 -2.912 -0.093 639 HA LEU 89 HA LEU 89 11.668 -2.013 2.545 640 HB2 LEU 89 1HB LEU 89 14.150 -1.585 0.839 641 HB3 LEU 89 2HB LEU 89 14.052 -1.179 2.549 642 HG LEU 89 HG LEU 89 13.498 -3.949 1.445 643 HD11 LEU 89 1HD1 LEU 89 15.991 -3.011 2.887 644 HD12 LEU 89 2HD1 LEU 89 15.888 -3.147 1.131 645 HD13 LEU 89 3HD1 LEU 89 15.710 -4.584 2.140 646 HD21 LEU 89 3HD2 LEU 89 14.079 -4.394 4.000 647 HD22 LEU 89 1HD2 LEU 89 12.463 -3.892 3.535 648 HD23 LEU 89 2HD2 LEU 89 13.595 -2.716 4.196 649 H ILE 90 H ILE 90 12.612 -0.182 -0.360 650 HA ILE 90 HA ILE 90 12.292 2.403 0.886 651 HB ILE 90 HB ILE 90 12.500 1.439 -1.975 652 HG12 ILE 90 1HG1 ILE 90 14.620 2.598 -1.911 653 HG13 ILE 90 2HG1 ILE 90 14.210 3.367 -0.379 654 HG21 ILE 90 1HG2 ILE 90 11.043 3.269 -2.285 655 HG22 ILE 90 2HG2 ILE 90 12.639 3.989 -2.491 656 HG23 ILE 90 3HG2 ILE 90 11.770 4.188 -0.969 657 HD11 ILE 90 3HD1 ILE 90 14.358 0.367 -0.660 658 HD12 ILE 90 1HD1 ILE 90 14.376 1.320 0.820 659 HD13 ILE 90 2HD1 ILE 90 15.772 1.331 -0.256 660 H PHE 91 H PHE 91 10.194 0.432 -1.182 661 HA PHE 91 HA PHE 91 8.055 2.300 -1.406 662 HB2 PHE 91 1HB PHE 91 8.223 0.279 -2.820 663 HB3 PHE 91 2HB PHE 91 7.955 -0.743 -1.407 664 HD1 PHE 91 HD2 PHE 91 6.413 2.088 -3.320 665 HD2 PHE 91 HD1 PHE 91 5.758 -1.325 -0.793 666 HE1 PHE 91 HE2 PHE 91 3.963 2.335 -3.618 667 HE2 PHE 91 HE1 PHE 91 3.311 -1.074 -1.093 668 HZ PHE 91 HZ PHE 91 2.411 0.753 -2.505 669 H GLU 92 H GLU 92 8.687 -0.304 0.914 670 HA GLU 92 HA GLU 92 6.311 -0.003 2.466 671 HB2 GLU 92 1HB GLU 92 7.906 -1.951 2.580 672 HB3 GLU 92 2HB GLU 92 9.048 -0.911 3.431 673 HG2 GLU 92 1HG GLU 92 7.814 -2.151 5.095 674 HG3 GLU 92 2HG GLU 92 7.248 -0.484 5.151 675 H LEU 93 H LEU 93 9.479 1.558 2.623 676 HA LEU 93 HA LEU 93 9.132 2.926 5.107 677 HB2 LEU 93 1HB LEU 93 11.307 2.697 3.938 678 HB3 LEU 93 2HB LEU 93 10.731 3.754 2.654 679 HG LEU 93 HG LEU 93 10.423 4.896 5.393 680 HD11 LEU 93 1HD1 LEU 93 12.570 3.736 5.685 681 HD12 LEU 93 2HD1 LEU 93 12.810 5.482 5.606 682 HD13 LEU 93 3HD1 LEU 93 13.185 4.477 4.206 683 HD21 LEU 93 3HD2 LEU 93 11.283 6.902 4.254 684 HD22 LEU 93 1HD2 LEU 93 10.001 6.167 3.296 685 HD23 LEU 93 2HD2 LEU 93 11.682 5.939 2.831 686 H LYS 94 H LYS 94 8.503 3.936 1.757 687 HA LYS 94 HA LYS 94 7.531 6.555 2.404 688 HB2 LYS 94 1HB LYS 94 7.121 4.758 -0.004 689 HB3 LYS 94 2HB LYS 94 6.499 6.408 0.081 690 HG2 LYS 94 1HG LYS 94 8.786 7.251 0.481 691 HG3 LYS 94 2HG LYS 94 9.408 5.604 0.385 692 HD2 LYS 94 1HD LYS 94 8.557 5.427 -1.936 693 HD3 LYS 94 2HD LYS 94 7.978 7.091 -1.838 694 HE2 LYS 94 1HE LYS 94 10.870 6.295 -1.415 695 HE3 LYS 94 2HE LYS 94 10.225 6.856 -2.957 696 HZ1 LYS 94 3HZ LYS 94 10.291 8.947 -2.263 697 HZ2 LYS 94 1HZ LYS 94 11.157 8.419 -0.903 698 HZ3 LYS 94 2HZ LYS 94 9.468 8.577 -0.823 699 H THR 95 H THR 95 5.838 3.468 1.801 700 HA THR 95 HA THR 95 3.195 4.574 2.124 701 HB THR 95 HB THR 95 2.542 2.136 2.456 702 HG1 THR 95 HG1 THR 95 4.456 1.380 3.348 703 HG21 THR 95 3HG2 THR 95 2.612 3.222 0.234 704 HG22 THR 95 1HG2 THR 95 3.068 1.521 0.140 705 HG23 THR 95 2HG2 THR 95 4.310 2.771 0.078 706 H ARG 96 H ARG 96 5.428 2.921 4.340 707 HA ARG 96 HA ARG 96 3.620 2.876 6.583 708 HB2 ARG 96 1HB ARG 96 5.649 1.432 6.419 709 HB3 ARG 96 2HB ARG 96 6.661 2.867 6.595 710 HG2 ARG 96 1HG ARG 96 5.659 3.329 8.791 711 HG3 ARG 96 2HG ARG 96 4.604 1.927 8.617 712 HD2 ARG 96 1HD ARG 96 7.632 1.806 8.620 713 HD3 ARG 96 2HD ARG 96 6.623 1.470 10.027 714 HE ARG 96 HE ARG 96 6.971 -0.275 7.684 715 HH11 ARG 96 1HH2 ARG 96 5.102 0.551 10.493 716 HH12 ARG 96 2HH2 ARG 96 4.377 -1.018 10.608 717 HH21 ARG 96 1HH1 ARG 96 6.033 -2.304 7.856 718 HH22 ARG 96 2HH1 ARG 96 4.904 -2.625 9.128 719 H ALA 97 H ALA 97 6.158 5.111 5.524 720 HA ALA 97 HA ALA 97 6.044 6.877 7.769 721 HB1 ALA 97 3HB ALA 97 7.888 6.944 6.139 722 HB2 ALA 97 1HB ALA 97 7.109 8.522 6.229 723 HB3 ALA 97 2HB ALA 97 6.772 7.449 4.870 724 H LEU 98 H LEU 98 4.316 6.824 4.677 725 HA LEU 98 HA LEU 98 2.909 9.287 5.006 726 HB2 LEU 98 1HB LEU 98 3.157 7.648 2.923 727 HB3 LEU 98 2HB LEU 98 1.680 6.930 3.554 728 HG LEU 98 HG LEU 98 2.027 9.883 2.939 729 HD11 LEU 98 1HD1 LEU 98 2.050 8.749 0.847 730 HD12 LEU 98 2HD1 LEU 98 0.393 9.311 1.069 731 HD13 LEU 98 3HD1 LEU 98 0.797 7.621 1.364 732 HD21 LEU 98 3HD2 LEU 98 0.294 9.860 4.470 733 HD22 LEU 98 1HD2 LEU 98 -0.193 8.211 4.085 734 HD23 LEU 98 2HD2 LEU 98 -0.627 9.539 3.011 735 H ALA 99 H ALA 99 2.149 5.953 5.919 736 HA ALA 99 HA ALA 99 -0.512 6.380 6.830 737 HB1 ALA 99 3HB ALA 99 0.740 4.150 6.484 738 HB2 ALA 99 1HB ALA 99 -0.327 4.249 7.881 739 HB3 ALA 99 2HB ALA 99 1.416 4.411 8.089 740 H ARG 100 H ARG 100 2.614 6.805 8.405 741 HA ARG 100 HA ARG 100 1.719 7.179 11.075 742 HB2 ARG 100 1HB ARG 100 4.098 8.342 9.590 743 HB3 ARG 100 2HB ARG 100 3.877 8.477 11.327 744 HG2 ARG 100 1HG ARG 100 3.772 5.775 9.981 745 HG3 ARG 100 2HG ARG 100 5.324 6.502 10.399 746 HD2 ARG 100 1HD ARG 100 4.524 6.768 12.753 747 HD3 ARG 100 2HD ARG 100 3.046 5.924 12.316 748 HE ARG 100 HE ARG 100 5.566 4.495 11.767 749 HH11 ARG 100 1HH2 ARG 100 2.816 5.048 13.821 750 HH12 ARG 100 2HH2 ARG 100 2.965 3.521 14.625 751 HH21 ARG 100 1HH1 ARG 100 5.746 2.521 12.817 752 HH22 ARG 100 2HH1 ARG 100 4.616 2.099 14.059 753 H LEU 101 H LEU 101 2.218 9.548 8.475 754 HA LEU 101 HA LEU 101 0.904 11.632 10.180 755 HB2 LEU 101 1HB LEU 101 1.692 13.147 8.258 756 HB3 LEU 101 2HB LEU 101 2.916 12.492 9.335 757 HG LEU 101 HG LEU 101 2.345 10.689 7.043 758 HD11 LEU 101 1HD1 LEU 101 1.993 12.732 5.807 759 HD12 LEU 101 2HD1 LEU 101 3.608 12.138 5.418 760 HD13 LEU 101 3HD1 LEU 101 3.411 13.482 6.542 761 HD21 LEU 101 3HD2 LEU 101 4.873 12.013 8.084 762 HD22 LEU 101 1HD2 LEU 101 4.813 10.680 6.933 763 HD23 LEU 101 2HD2 LEU 101 4.260 10.442 8.592 764 H GLU 102 H GLU 102 -1.140 12.073 9.824 765 HA GLU 102 HA GLU 102 -2.506 11.073 7.384 766 HB2 GLU 102 1HB GLU 102 -4.564 11.950 8.763 767 HB3 GLU 102 2HB GLU 102 -3.759 10.467 9.263 768 HG2 GLU 102 1HG GLU 102 -2.951 13.150 10.393 769 HG3 GLU 102 2HG GLU 102 -4.265 12.209 11.095 770 H HIS 103 H HIS 103 -2.742 12.370 5.748 771 HA HIS 103 HA HIS 103 -2.213 15.199 5.770 772 HB2 HIS 103 1HB HIS 103 -3.549 13.377 3.737 773 HB3 HIS 103 2HB HIS 103 -3.208 15.080 3.436 774 HD1 HIS 103 HD1 HIS 103 -1.725 13.445 1.548 775 HD2 HIS 103 HD2 HIS 103 -0.243 14.019 5.403 776 HE1 HIS 103 HE1 HIS 103 0.761 12.972 1.441 777 H HIS 104 H HIS 104 -5.168 13.245 5.803 778 HA HIS 104 HA HIS 104 -6.924 15.569 5.681 779 HB2 HIS 104 1HB HIS 104 -7.430 12.637 6.276 780 HB3 HIS 104 2HB HIS 104 -8.708 13.851 6.235 781 HD1 HIS 104 HD1 HIS 104 -6.116 12.236 3.988 782 HD2 HIS 104 HD2 HIS 104 -9.519 14.623 3.664 783 HE1 HIS 104 HE1 HIS 104 -6.673 12.359 1.519 784 H HIS 105 H HIS 105 -8.302 16.262 7.369 785 HA HIS 105 HA HIS 105 -8.562 17.159 9.518 786 HB2 HIS 105 1HB HIS 105 -8.248 14.196 10.060 787 HB3 HIS 105 2HB HIS 105 -8.773 15.361 11.276 788 HD1 HIS 105 HD1 HIS 105 -9.834 13.940 7.919 789 HD2 HIS 105 HD2 HIS 105 -11.459 16.144 11.063 790 HE1 HIS 105 HE1 HIS 105 -12.322 14.105 7.470 791 H HIS 106 H HIS 106 -6.059 17.659 8.656 792 HA HIS 106 HA HIS 106 -3.922 16.678 10.289 793 HB2 HIS 106 1HB HIS 106 -3.545 17.898 8.165 794 HB3 HIS 106 2HB HIS 106 -4.204 19.367 8.887 795 HD1 HIS 106 HD1 HIS 106 -1.333 16.915 9.396 796 HD2 HIS 106 HD2 HIS 106 -2.339 20.855 10.314 797 HE1 HIS 106 HE1 HIS 106 0.725 17.954 10.449 798 H HIS 107 H HIS 107 -6.096 19.472 10.600 799 HA HIS 107 HA HIS 107 -4.872 20.619 12.916 800 HB2 HIS 107 1HB HIS 107 -6.505 21.826 11.503 801 HB3 HIS 107 2HB HIS 107 -7.779 20.728 12.034 802 HD1 HIS 107 HD1 HIS 107 -5.327 23.251 13.483 803 HD2 HIS 107 HD2 HIS 107 -8.969 21.463 14.438 804 HE1 HIS 107 HE1 HIS 107 -6.162 24.403 15.579 805 H HIS 108 H HIS 108 -7.563 18.308 12.563 806 HA HIS 108 HA HIS 108 -7.759 17.988 15.494 807 HB2 HIS 108 1HB HIS 108 -9.801 17.982 14.069 808 HB3 HIS 108 2HB HIS 108 -9.219 16.521 13.268 809 HD1 HIS 108 HD1 HIS 108 -10.009 17.729 16.796 810 HD2 HIS 108 HD2 HIS 108 -9.942 14.193 14.590 811 HE1 HIS 108 HE1 HIS 108 -10.914 15.919 18.318 Start of MODEL 12 1 H1 MET 1 1H MET 1 -28.628 -2.182 -1.536 2 H2 MET 1 2H MET 1 -28.760 -0.597 -0.938 3 H3 MET 1 3H MET 1 -27.375 -1.522 -0.602 4 HA MET 1 HA MET 1 -26.457 -0.451 -2.314 5 HB2 MET 1 1HB MET 1 -28.378 -2.249 -3.827 6 HB3 MET 1 2HB MET 1 -26.909 -1.531 -4.490 7 HG2 MET 1 1HG MET 1 -26.207 -3.690 -3.848 8 HG3 MET 1 2HG MET 1 -25.702 -2.684 -2.491 9 HE1 MET 1 3HE MET 1 -29.011 -5.816 -2.701 10 HE2 MET 1 1HE MET 1 -27.534 -5.699 -3.667 11 HE3 MET 1 2HE MET 1 -28.839 -4.539 -3.902 12 H SER 2 H SER 2 -27.400 1.627 -1.813 13 HA SER 2 HA SER 2 -29.874 2.540 -2.953 14 HB2 SER 2 1HB SER 2 -28.861 3.657 -1.030 15 HB3 SER 2 2HB SER 2 -27.455 4.093 -1.997 16 HG SER 2 HG SER 2 -29.647 4.862 -3.289 17 H ASN 3 H ASN 3 -30.264 3.742 -4.796 18 HA ASN 3 HA ASN 3 -28.248 3.476 -6.945 19 HB2 ASN 3 1HB ASN 3 -30.088 4.048 -8.451 20 HB3 ASN 3 2HB ASN 3 -30.589 2.763 -7.355 21 HD21 ASN 3 2HD2 ASN 3 -32.747 3.965 -8.294 22 HD22 ASN 3 1HD2 ASN 3 -33.387 5.132 -7.241 23 H GLN 4 H GLN 4 -28.113 5.348 -8.492 24 HA GLN 4 HA GLN 4 -27.235 7.495 -8.810 25 HB2 GLN 4 1HB GLN 4 -29.763 8.079 -7.245 26 HB3 GLN 4 2HB GLN 4 -28.805 9.314 -8.061 27 HG2 GLN 4 1HG GLN 4 -29.134 8.203 -10.213 28 HG3 GLN 4 2HG GLN 4 -30.014 6.893 -9.428 29 HE21 GLN 4 2HE2 GLN 4 -30.949 8.974 -11.471 30 HE22 GLN 4 1HE2 GLN 4 -32.312 9.685 -10.752 31 H THR 5 H THR 5 -27.206 9.760 -7.341 32 HA THR 5 HA THR 5 -26.065 10.853 -5.637 33 HB THR 5 HB THR 5 -26.477 8.416 -3.903 34 HG1 THR 5 HG1 THR 5 -28.484 10.034 -3.590 35 HG21 THR 5 3HG2 THR 5 -26.389 9.940 -2.123 36 HG22 THR 5 1HG2 THR 5 -26.850 11.302 -3.142 37 HG23 THR 5 2HG2 THR 5 -25.221 10.638 -3.245 38 H CYS 6 H CYS 6 -24.750 8.818 -3.584 39 HA CYS 6 HA CYS 6 -22.088 9.112 -4.519 40 HB2 CYS 6 1HB CYS 6 -23.162 8.433 -2.145 41 HB3 CYS 6 2HB CYS 6 -22.729 6.819 -2.702 42 HG CYS 6 HG CYS 6 -20.752 8.366 -1.424 43 H VAL 7 H VAL 7 -24.499 6.658 -5.108 44 HA VAL 7 HA VAL 7 -22.493 4.918 -6.460 45 HB VAL 7 HB VAL 7 -25.387 4.479 -5.681 46 HG11 VAL 7 1HG1 VAL 7 -24.819 2.075 -6.451 47 HG12 VAL 7 2HG1 VAL 7 -23.487 2.814 -7.339 48 HG13 VAL 7 3HG1 VAL 7 -25.149 3.268 -7.708 49 HG21 VAL 7 3HG2 VAL 7 -23.841 4.309 -3.812 50 HG22 VAL 7 1HG2 VAL 7 -22.747 3.301 -4.758 51 HG23 VAL 7 2HG2 VAL 7 -24.325 2.679 -4.276 52 H GLU 8 H GLU 8 -22.358 4.849 -8.626 53 HA GLU 8 HA GLU 8 -24.559 5.224 -10.424 54 HB2 GLU 8 1HB GLU 8 -24.270 7.601 -9.715 55 HB3 GLU 8 2HB GLU 8 -22.601 7.537 -10.282 56 HG2 GLU 8 1HG GLU 8 -23.370 7.027 -12.559 57 HG3 GLU 8 2HG GLU 8 -25.045 7.031 -12.005 58 H ASN 9 H ASN 9 -21.027 5.601 -10.047 59 HA ASN 9 HA ASN 9 -20.495 4.662 -12.773 60 HB2 ASN 9 1HB ASN 9 -19.006 6.263 -11.482 61 HB3 ASN 9 2HB ASN 9 -18.544 4.902 -10.465 62 HD21 ASN 9 2HD2 ASN 9 -16.304 4.982 -11.256 63 HD22 ASN 9 1HD2 ASN 9 -15.913 4.460 -12.823 64 H GLU 10 H GLU 10 -21.279 3.183 -9.846 65 HA GLU 10 HA GLU 10 -19.719 0.725 -10.311 66 HB2 GLU 10 1HB GLU 10 -21.803 1.443 -8.232 67 HB3 GLU 10 2HB GLU 10 -20.934 -0.090 -8.281 68 HG2 GLU 10 1HG GLU 10 -19.634 1.174 -6.788 69 HG3 GLU 10 2HG GLU 10 -18.781 1.403 -8.313 70 H VAL 11 H VAL 11 -20.650 -1.302 -10.761 71 HA VAL 11 HA VAL 11 -23.292 -1.163 -12.162 72 HB VAL 11 HB VAL 11 -20.825 -2.844 -12.629 73 HG11 VAL 11 1HG1 VAL 11 -23.630 -3.166 -13.725 74 HG12 VAL 11 2HG1 VAL 11 -22.644 -4.383 -12.915 75 HG13 VAL 11 3HG1 VAL 11 -22.208 -3.828 -14.531 76 HG21 VAL 11 3HG2 VAL 11 -22.427 -1.013 -14.440 77 HG22 VAL 11 1HG2 VAL 11 -20.875 -1.765 -14.811 78 HG23 VAL 11 2HG2 VAL 11 -20.978 -0.518 -13.568 79 H CYS 12 H CYS 12 -24.903 -2.355 -11.432 80 HA CYS 12 HA CYS 12 -24.683 -3.876 -8.980 81 HB2 CYS 12 1HB CYS 12 -26.698 -2.515 -9.888 82 HB3 CYS 12 2HB CYS 12 -27.047 -3.938 -10.861 83 HG CYS 12 HG CYS 12 -27.639 -5.252 -8.791 84 H GLU 13 H GLU 13 -26.186 -5.007 -12.004 85 HA GLU 13 HA GLU 13 -26.378 -7.222 -12.783 86 HB2 GLU 13 1HB GLU 13 -23.397 -6.729 -12.605 87 HB3 GLU 13 2HB GLU 13 -24.098 -8.124 -13.429 88 HG2 GLU 13 1HG GLU 13 -25.360 -6.660 -14.923 89 HG3 GLU 13 2HG GLU 13 -24.780 -5.235 -14.061 90 H ALA 14 H ALA 14 -27.279 -7.800 -10.585 91 HA ALA 14 HA ALA 14 -25.678 -9.042 -8.578 92 HB1 ALA 14 3HB ALA 14 -27.840 -10.082 -7.841 93 HB2 ALA 14 1HB ALA 14 -28.595 -9.429 -9.296 94 HB3 ALA 14 2HB ALA 14 -27.941 -8.337 -8.076 95 H CYS 15 H CYS 15 -25.024 -11.131 -8.285 96 HA CYS 15 HA CYS 15 -25.229 -12.931 -10.648 97 HB2 CYS 15 1HB CYS 15 -23.371 -12.876 -8.261 98 HB3 CYS 15 2HB CYS 15 -23.373 -14.169 -9.459 99 HG CYS 15 HG CYS 15 -22.904 -11.219 -10.375 100 H GLY 16 H GLY 16 -25.936 -15.040 -10.448 101 HA2 GLY 16 1HA GLY 16 -27.785 -15.561 -8.210 102 HA3 GLY 16 2HA GLY 16 -27.651 -16.498 -9.695 103 H CYS 17 H CYS 17 -25.586 -17.773 -9.925 104 HA CYS 17 HA CYS 17 -25.216 -19.483 -7.656 105 HB2 CYS 17 1HB CYS 17 -23.559 -19.131 -10.173 106 HB3 CYS 17 2HB CYS 17 -23.327 -20.437 -9.010 107 HG CYS 17 HG CYS 17 -25.405 -21.565 -9.828 108 H ALA 18 H ALA 18 -23.403 -16.737 -8.914 109 HA ALA 18 HA ALA 18 -21.529 -15.601 -8.072 110 HB1 ALA 18 3HB ALA 18 -21.709 -14.989 -5.746 111 HB2 ALA 18 1HB ALA 18 -22.704 -16.403 -5.397 112 HB3 ALA 18 2HB ALA 18 -23.348 -15.096 -6.388 113 H GLY 19 H GLY 19 -21.601 -18.754 -8.136 114 HA2 GLY 19 1HA GLY 19 -19.481 -19.406 -6.199 115 HA3 GLY 19 2HA GLY 19 -20.220 -20.521 -7.351 116 H GLU 20 H GLU 20 -19.504 -17.771 -9.022 117 HA GLU 20 HA GLU 20 -17.670 -18.824 -10.795 118 HB2 GLU 20 1HB GLU 20 -16.846 -16.355 -11.023 119 HB3 GLU 20 2HB GLU 20 -18.534 -16.723 -11.379 120 HG2 GLU 20 1HG GLU 20 -19.211 -15.998 -9.148 121 HG3 GLU 20 2HG GLU 20 -17.527 -15.725 -8.696 122 H ILE 21 H ILE 21 -16.076 -20.111 -9.880 123 HA ILE 21 HA ILE 21 -14.252 -18.979 -7.858 124 HB ILE 21 HB ILE 21 -15.033 -21.330 -7.677 125 HG12 ILE 21 1HG1 ILE 21 -12.070 -21.240 -8.278 126 HG13 ILE 21 2HG1 ILE 21 -12.770 -20.505 -6.837 127 HG21 ILE 21 1HG2 ILE 21 -14.424 -22.994 -9.261 128 HG22 ILE 21 2HG2 ILE 21 -13.283 -21.922 -10.072 129 HG23 ILE 21 3HG2 ILE 21 -15.018 -21.647 -10.230 130 HD11 ILE 21 3HD1 ILE 21 -12.890 -23.430 -7.626 131 HD12 ILE 21 1HD1 ILE 21 -13.787 -22.738 -6.274 132 HD13 ILE 21 2HD1 ILE 21 -12.024 -22.738 -6.255 133 H GLY 22 H GLY 22 -12.330 -18.109 -8.331 134 HA2 GLY 22 1HA GLY 22 -10.501 -18.910 -10.296 135 HA3 GLY 22 2HA GLY 22 -11.489 -17.654 -11.048 136 H PHE 23 H PHE 23 -8.835 -18.246 -9.036 137 HA PHE 23 HA PHE 23 -8.857 -15.489 -7.891 138 HB2 PHE 23 1HB PHE 23 -8.423 -17.382 -6.341 139 HB3 PHE 23 2HB PHE 23 -7.015 -17.828 -7.307 140 HD1 PHE 23 HD2 PHE 23 -8.504 -14.805 -5.656 141 HD2 PHE 23 HD1 PHE 23 -4.931 -16.969 -6.658 142 HE1 PHE 23 HE2 PHE 23 -7.147 -13.131 -4.431 143 HE2 PHE 23 HE1 PHE 23 -3.576 -15.295 -5.431 144 HZ PHE 23 HZ PHE 23 -4.682 -13.376 -4.320 145 H ILE 24 H ILE 24 -7.741 -13.982 -8.949 146 HA ILE 24 HA ILE 24 -5.916 -14.707 -11.123 147 HB ILE 24 HB ILE 24 -5.736 -12.089 -11.209 148 HG12 ILE 24 1HG1 ILE 24 -8.306 -12.343 -9.627 149 HG13 ILE 24 2HG1 ILE 24 -6.772 -11.959 -8.845 150 HG21 ILE 24 1HG2 ILE 24 -8.331 -13.566 -11.718 151 HG22 ILE 24 2HG2 ILE 24 -6.967 -13.431 -12.829 152 HG23 ILE 24 3HG2 ILE 24 -7.904 -11.997 -12.405 153 HD11 ILE 24 3HD1 ILE 24 -7.987 -10.387 -11.139 154 HD12 ILE 24 1HD1 ILE 24 -6.503 -9.988 -10.274 155 HD13 ILE 24 2HD1 ILE 24 -8.056 -9.910 -9.442 156 H ILE 25 H ILE 25 -3.749 -14.200 -11.241 157 HA ILE 25 HA ILE 25 -1.585 -14.091 -10.429 158 HB ILE 25 HB ILE 25 -2.890 -11.977 -8.694 159 HG12 ILE 25 1HG1 ILE 25 -1.179 -11.694 -11.181 160 HG13 ILE 25 2HG1 ILE 25 -2.941 -11.755 -11.234 161 HG21 ILE 25 1HG2 ILE 25 -0.457 -11.117 -8.631 162 HG22 ILE 25 2HG2 ILE 25 0.002 -12.745 -9.133 163 HG23 ILE 25 3HG2 ILE 25 -0.840 -12.499 -7.604 164 HD11 ILE 25 3HD1 ILE 25 -1.465 -9.787 -9.479 165 HD12 ILE 25 1HD1 ILE 25 -3.154 -9.745 -9.983 166 HD13 ILE 25 2HD1 ILE 25 -1.877 -9.419 -11.154 167 H ARG 26 H ARG 26 -1.130 -16.003 -9.480 168 HA ARG 26 HA ARG 26 -2.291 -17.063 -7.123 169 HB2 ARG 26 1HB ARG 26 -0.800 -18.190 -8.951 170 HB3 ARG 26 2HB ARG 26 0.545 -17.682 -7.934 171 HG2 ARG 26 1HG ARG 26 0.126 -19.784 -7.025 172 HG3 ARG 26 2HG ARG 26 -0.912 -18.794 -6.001 173 HD2 ARG 26 1HD ARG 26 -2.831 -19.286 -7.503 174 HD3 ARG 26 2HD ARG 26 -1.783 -20.313 -8.479 175 HE ARG 26 HE ARG 26 -1.559 -21.293 -5.873 176 HH11 ARG 26 1HH2 ARG 26 -4.053 -20.745 -8.211 177 HH12 ARG 26 2HH2 ARG 26 -5.051 -22.034 -7.627 178 HH21 ARG 26 1HH1 ARG 26 -2.853 -22.965 -5.118 179 HH22 ARG 26 2HH1 ARG 26 -4.374 -23.287 -5.881 180 H GLU 27 H GLU 27 0.538 -17.663 -6.024 181 HA GLU 27 HA GLU 27 0.957 -15.121 -4.507 182 HB2 GLU 27 1HB GLU 27 -0.423 -16.865 -3.240 183 HB3 GLU 27 2HB GLU 27 1.029 -17.867 -3.238 184 HG2 GLU 27 1HG GLU 27 1.022 -16.638 -1.170 185 HG3 GLU 27 2HG GLU 27 2.258 -15.913 -2.200 186 H GLY 28 H GLY 28 2.575 -15.455 -6.505 187 HA2 GLY 28 1HA GLY 28 4.819 -17.210 -6.164 188 HA3 GLY 28 2HA GLY 28 4.792 -15.774 -7.183 189 H ASP 29 H ASP 29 7.083 -16.326 -5.862 190 HA ASP 29 HA ASP 29 7.228 -14.938 -3.294 191 HB2 ASP 29 1HB ASP 29 9.692 -15.298 -3.573 192 HB3 ASP 29 2HB ASP 29 8.757 -16.785 -3.727 193 H ASP 30 H ASP 30 6.899 -13.887 -6.408 194 HA ASP 30 HA ASP 30 8.669 -11.520 -6.128 195 HB2 ASP 30 1HB ASP 30 8.527 -12.749 -8.304 196 HB3 ASP 30 2HB ASP 30 6.823 -12.308 -8.404 197 H VAL 31 H VAL 31 6.233 -12.061 -4.462 198 HA VAL 31 HA VAL 31 4.778 -9.518 -5.056 199 HB VAL 31 HB VAL 31 3.500 -11.713 -5.566 200 HG11 VAL 31 1HG1 VAL 31 2.690 -13.010 -3.786 201 HG12 VAL 31 2HG1 VAL 31 2.981 -11.741 -2.595 202 HG13 VAL 31 3HG1 VAL 31 4.335 -12.656 -3.258 203 HG21 VAL 31 3HG2 VAL 31 1.411 -10.750 -4.515 204 HG22 VAL 31 1HG2 VAL 31 2.353 -9.591 -5.454 205 HG23 VAL 31 2HG2 VAL 31 2.441 -9.579 -3.693 206 H ALA 32 H ALA 32 3.968 -8.413 -3.210 207 HA ALA 32 HA ALA 32 5.063 -9.322 -0.577 208 HB1 ALA 32 3HB ALA 32 6.303 -7.382 -1.971 209 HB2 ALA 32 1HB ALA 32 6.202 -7.351 -0.213 210 HB3 ALA 32 2HB ALA 32 5.075 -6.397 -1.182 211 H GLU 33 H GLU 33 3.838 -8.705 1.204 212 HA GLU 33 HA GLU 33 1.025 -8.011 0.604 213 HB2 GLU 33 1HB GLU 33 2.419 -8.986 3.108 214 HB3 GLU 33 2HB GLU 33 0.699 -8.597 3.035 215 HG2 GLU 33 1HG GLU 33 0.372 -10.263 1.269 216 HG3 GLU 33 2HG GLU 33 2.096 -10.626 1.267 217 H VAL 34 H VAL 34 -0.036 -6.265 1.546 218 HA VAL 34 HA VAL 34 1.682 -4.193 2.866 219 HB VAL 34 HB VAL 34 -0.393 -3.858 0.688 220 HG11 VAL 34 1HG1 VAL 34 0.826 -1.850 2.594 221 HG12 VAL 34 2HG1 VAL 34 -0.879 -2.100 2.219 222 HG13 VAL 34 3HG1 VAL 34 0.189 -1.370 1.020 223 HG21 VAL 34 3HG2 VAL 34 1.465 -2.784 -0.490 224 HG22 VAL 34 1HG2 VAL 34 1.956 -4.395 0.031 225 HG23 VAL 34 2HG2 VAL 34 2.500 -2.974 0.923 226 H SER 35 H SER 35 0.858 -3.400 4.703 227 HA SER 35 HA SER 35 -2.025 -3.922 5.350 228 HB2 SER 35 1HB SER 35 0.396 -4.135 7.158 229 HB3 SER 35 2HB SER 35 -1.271 -4.177 7.726 230 HG SER 35 HG SER 35 0.155 -6.023 6.160 231 H LEU 36 H LEU 36 -3.093 -2.090 5.675 232 HA LEU 36 HA LEU 36 -1.592 0.311 6.662 233 HB2 LEU 36 1HB LEU 36 -2.259 0.661 4.341 234 HB3 LEU 36 2HB LEU 36 -3.916 0.188 4.716 235 HG LEU 36 HG LEU 36 -4.177 2.123 6.194 236 HD11 LEU 36 1HD1 LEU 36 -1.225 2.410 5.676 237 HD12 LEU 36 2HD1 LEU 36 -2.104 2.521 7.198 238 HD13 LEU 36 3HD1 LEU 36 -2.183 3.845 6.040 239 HD21 LEU 36 3HD2 LEU 36 -4.750 2.623 3.945 240 HD22 LEU 36 1HD2 LEU 36 -3.060 2.678 3.441 241 HD23 LEU 36 2HD2 LEU 36 -3.720 3.959 4.458 242 H PHE 37 H PHE 37 -2.385 1.246 8.454 243 HA PHE 37 HA PHE 37 -4.783 0.047 9.716 244 HB2 PHE 37 1HB PHE 37 -2.762 2.025 10.806 245 HB3 PHE 37 2HB PHE 37 -4.015 1.202 11.738 246 HD1 PHE 37 HD2 PHE 37 -3.878 -1.197 12.198 247 HD2 PHE 37 HD1 PHE 37 -0.793 0.829 10.001 248 HE1 PHE 37 HE2 PHE 37 -2.378 -3.147 12.507 249 HE2 PHE 37 HE1 PHE 37 0.708 -1.121 10.311 250 HZ PHE 37 HZ PHE 37 -0.084 -3.109 11.563 251 H GLY 38 H GLY 38 -6.555 1.275 10.377 252 HA2 GLY 38 1HA GLY 38 -6.783 4.103 10.207 253 HA3 GLY 38 2HA GLY 38 -7.369 3.417 8.692 254 H SER 39 H SER 39 -9.286 4.652 9.870 255 HA SER 39 HA SER 39 -10.698 3.066 11.889 256 HB2 SER 39 1HB SER 39 -12.511 4.806 11.456 257 HB3 SER 39 2HB SER 39 -10.975 5.440 12.040 258 HG SER 39 HG SER 39 -11.689 5.231 9.296 259 H ASP 40 H ASP 40 -12.710 4.397 9.465 260 HA ASP 40 HA ASP 40 -13.790 1.741 8.854 261 HB2 ASP 40 1HB ASP 40 -15.543 2.950 7.664 262 HB3 ASP 40 2HB ASP 40 -15.279 3.684 9.244 263 H LYS 41 H LYS 41 -14.453 1.417 6.457 264 HA LYS 41 HA LYS 41 -12.082 1.016 4.930 265 HB2 LYS 41 1HB LYS 41 -14.199 -0.282 4.679 266 HB3 LYS 41 2HB LYS 41 -14.934 1.129 3.916 267 HG2 LYS 41 1HG LYS 41 -13.225 1.089 2.151 268 HG3 LYS 41 2HG LYS 41 -12.451 -0.296 2.915 269 HD2 LYS 41 1HD LYS 41 -15.349 -0.372 2.062 270 HD3 LYS 41 2HD LYS 41 -14.048 -0.777 0.944 271 HE2 LYS 41 1HE LYS 41 -13.235 -2.446 2.708 272 HE3 LYS 41 2HE LYS 41 -14.770 -2.176 3.532 273 HZ1 LYS 41 3HZ LYS 41 -14.522 -4.064 1.789 274 HZ2 LYS 41 1HZ LYS 41 -14.784 -2.814 0.672 275 HZ3 LYS 41 2HZ LYS 41 -15.950 -3.146 1.863 276 H ALA 42 H ALA 42 -14.567 3.551 4.751 277 HA ALA 42 HA ALA 42 -13.738 4.807 2.360 278 HB1 ALA 42 3HB ALA 42 -14.664 6.918 3.453 279 HB2 ALA 42 1HB ALA 42 -14.924 5.946 4.899 280 HB3 ALA 42 2HB ALA 42 -15.769 5.543 3.406 281 H HIS 43 H HIS 43 -12.562 5.301 5.680 282 HA HIS 43 HA HIS 43 -10.699 7.394 5.030 283 HB2 HIS 43 1HB HIS 43 -11.500 6.878 7.342 284 HB3 HIS 43 2HB HIS 43 -10.561 5.387 7.299 285 HD1 HIS 43 HD1 HIS 43 -10.007 9.139 6.921 286 HD2 HIS 43 HD2 HIS 43 -7.925 5.722 8.088 287 HE1 HIS 43 HE1 HIS 43 -7.744 9.925 7.742 288 H LEU 44 H LEU 44 -10.347 3.866 5.320 289 HA LEU 44 HA LEU 44 -7.525 3.776 4.855 290 HB2 LEU 44 1HB LEU 44 -9.713 1.742 4.370 291 HB3 LEU 44 2HB LEU 44 -8.005 1.382 4.139 292 HG LEU 44 HG LEU 44 -9.040 2.515 6.747 293 HD11 LEU 44 1HD1 LEU 44 -8.954 -0.367 5.827 294 HD12 LEU 44 2HD1 LEU 44 -10.321 0.512 6.509 295 HD13 LEU 44 3HD1 LEU 44 -8.952 0.079 7.533 296 HD21 LEU 44 3HD2 LEU 44 -6.546 1.030 5.861 297 HD22 LEU 44 1HD2 LEU 44 -6.992 1.172 7.560 298 HD23 LEU 44 2HD2 LEU 44 -6.652 2.619 6.617 299 H GLU 45 H GLU 45 -10.288 3.643 2.638 300 HA GLU 45 HA GLU 45 -8.765 3.119 0.271 301 HB2 GLU 45 1HB GLU 45 -11.448 4.456 0.678 302 HB3 GLU 45 2HB GLU 45 -10.779 4.092 -0.913 303 HG2 GLU 45 1HG GLU 45 -10.686 1.717 -0.378 304 HG3 GLU 45 2HG GLU 45 -11.230 2.037 1.269 305 H GLY 46 H GLY 46 -9.656 6.091 1.938 306 HA2 GLY 46 1HA GLY 46 -8.859 7.957 -0.066 307 HA3 GLY 46 2HA GLY 46 -8.902 8.291 1.665 308 H LYS 47 H LYS 47 -7.048 6.404 2.556 309 HA LYS 47 HA LYS 47 -4.538 7.716 1.772 310 HB2 LYS 47 1HB LYS 47 -5.257 5.605 3.817 311 HB3 LYS 47 2HB LYS 47 -3.593 6.117 3.536 312 HG2 LYS 47 1HG LYS 47 -4.218 8.446 4.057 313 HG3 LYS 47 2HG LYS 47 -5.887 7.941 4.326 314 HD2 LYS 47 1HD LYS 47 -5.169 6.485 6.172 315 HD3 LYS 47 2HD LYS 47 -3.488 6.937 5.889 316 HE2 LYS 47 1HE LYS 47 -4.018 9.285 6.402 317 HE3 LYS 47 2HE LYS 47 -5.708 8.855 6.660 318 HZ1 LYS 47 3HZ LYS 47 -4.515 8.973 8.750 319 HZ2 LYS 47 1HZ LYS 47 -3.394 7.821 8.210 320 HZ3 LYS 47 2HZ LYS 47 -5.017 7.378 8.450 321 H LEU 48 H LEU 48 -6.295 4.914 0.916 322 HA LEU 48 HA LEU 48 -4.150 3.169 0.184 323 HB2 LEU 48 1HB LEU 48 -6.537 2.455 0.384 324 HB3 LEU 48 2HB LEU 48 -6.900 3.384 -1.071 325 HG LEU 48 HG LEU 48 -5.258 2.003 -2.334 326 HD11 LEU 48 1HD1 LEU 48 -4.726 -0.252 -1.026 327 HD12 LEU 48 2HD1 LEU 48 -4.892 0.788 0.390 328 HD13 LEU 48 3HD1 LEU 48 -3.688 1.160 -0.844 329 HD21 LEU 48 3HD2 LEU 48 -7.635 1.385 -2.347 330 HD22 LEU 48 1HD2 LEU 48 -7.412 0.440 -0.874 331 HD23 LEU 48 2HD2 LEU 48 -6.627 -0.063 -2.371 332 H ALA 49 H ALA 49 -5.886 5.705 -1.565 333 HA ALA 49 HA ALA 49 -4.884 5.284 -4.164 334 HB1 ALA 49 3HB ALA 49 -5.427 7.909 -2.746 335 HB2 ALA 49 1HB ALA 49 -6.598 6.971 -3.670 336 HB3 ALA 49 2HB ALA 49 -5.233 7.733 -4.489 337 H GLU 50 H GLU 50 -3.308 6.608 -1.341 338 HA GLU 50 HA GLU 50 -1.070 7.841 -2.665 339 HB2 GLU 50 1HB GLU 50 -1.290 6.624 0.107 340 HB3 GLU 50 2HB GLU 50 0.023 7.668 -0.437 341 HG2 GLU 50 1HG GLU 50 -2.899 8.476 -0.421 342 HG3 GLU 50 2HG GLU 50 -1.750 8.891 0.851 343 H TYR 51 H TYR 51 -1.609 4.602 -1.320 344 HA TYR 51 HA TYR 51 0.994 3.535 -1.776 345 HB2 TYR 51 1HB TYR 51 -1.754 2.299 -1.595 346 HB3 TYR 51 2HB TYR 51 -0.329 1.306 -1.891 347 HD1 TYR 51 HD2 TYR 51 -1.657 3.921 0.444 348 HD2 TYR 51 HD1 TYR 51 0.974 0.566 -0.077 349 HE1 TYR 51 HE2 TYR 51 -1.141 3.946 2.871 350 HE2 TYR 51 HE1 TYR 51 1.491 0.592 2.347 351 HH TYR 51 HH TYR 51 1.423 2.543 4.212 352 H ILE 52 H ILE 52 -1.902 3.544 -3.821 353 HA ILE 52 HA ILE 52 -0.780 2.045 -5.983 354 HB ILE 52 HB ILE 52 -3.026 4.076 -5.906 355 HG12 ILE 52 1HG1 ILE 52 -3.116 1.050 -6.076 356 HG13 ILE 52 2HG1 ILE 52 -3.226 1.937 -4.557 357 HG21 ILE 52 1HG2 ILE 52 -2.041 2.248 -8.103 358 HG22 ILE 52 2HG2 ILE 52 -2.352 3.981 -8.188 359 HG23 ILE 52 3HG2 ILE 52 -3.699 2.850 -8.066 360 HD11 ILE 52 3HD1 ILE 52 -5.129 2.109 -6.910 361 HD12 ILE 52 1HD1 ILE 52 -5.188 3.195 -5.522 362 HD13 ILE 52 2HD1 ILE 52 -5.479 1.470 -5.304 363 H SER 53 H SER 53 -1.012 5.554 -5.422 364 HA SER 53 HA SER 53 0.076 6.388 -7.917 365 HB2 SER 53 1HB SER 53 -1.033 7.789 -6.040 366 HB3 SER 53 2HB SER 53 0.574 7.851 -5.324 367 HG SER 53 HG SER 53 0.232 9.613 -6.711 368 H LEU 54 H LEU 54 1.714 5.941 -4.786 369 HA LEU 54 HA LEU 54 4.354 6.428 -5.805 370 HB2 LEU 54 1HB LEU 54 3.213 5.192 -3.317 371 HB3 LEU 54 2HB LEU 54 4.936 5.015 -3.633 372 HG LEU 54 HG LEU 54 4.315 7.025 -2.224 373 HD11 LEU 54 1HD1 LEU 54 5.523 8.108 -4.749 374 HD12 LEU 54 2HD1 LEU 54 6.354 6.776 -3.947 375 HD13 LEU 54 3HD1 LEU 54 6.059 8.279 -3.080 376 HD21 LEU 54 3HD2 LEU 54 3.335 8.261 -4.803 377 HD22 LEU 54 1HD2 LEU 54 3.141 8.858 -3.155 378 HD23 LEU 54 2HD2 LEU 54 2.219 7.456 -3.698 379 H ALA 55 H ALA 55 2.435 3.502 -5.415 380 HA ALA 55 HA ALA 55 4.409 1.556 -5.905 381 HB1 ALA 55 3HB ALA 55 1.505 1.600 -6.761 382 HB2 ALA 55 1HB ALA 55 2.133 0.969 -5.241 383 HB3 ALA 55 2HB ALA 55 2.523 0.163 -6.759 384 H LYS 56 H LYS 56 2.368 3.265 -8.286 385 HA LYS 56 HA LYS 56 3.531 2.003 -10.586 386 HB2 LYS 56 1HB LYS 56 2.051 4.612 -10.217 387 HB3 LYS 56 2HB LYS 56 2.588 4.041 -11.797 388 HG2 LYS 56 1HG LYS 56 1.299 1.964 -11.492 389 HG3 LYS 56 2HG LYS 56 0.767 2.521 -9.907 390 HD2 LYS 56 1HD LYS 56 -0.406 4.402 -10.900 391 HD3 LYS 56 2HD LYS 56 0.236 4.006 -12.495 392 HE2 LYS 56 1HE LYS 56 -2.066 3.180 -12.287 393 HE3 LYS 56 2HE LYS 56 -0.944 1.825 -12.412 394 HZ1 LYS 56 3HZ LYS 56 -2.685 1.667 -10.624 395 HZ2 LYS 56 1HZ LYS 56 -1.859 2.905 -9.812 396 HZ3 LYS 56 2HZ LYS 56 -1.082 1.425 -10.116 397 H GLN 57 H GLN 57 4.262 5.052 -8.914 398 HA GLN 57 HA GLN 57 6.288 5.928 -10.751 399 HB2 GLN 57 1HB GLN 57 5.858 6.518 -7.809 400 HB3 GLN 57 2HB GLN 57 7.048 7.350 -8.810 401 HG2 GLN 57 1HG GLN 57 5.258 8.115 -10.318 402 HG3 GLN 57 2HG GLN 57 4.062 7.268 -9.339 403 HE21 GLN 57 2HE2 GLN 57 5.949 8.164 -6.925 404 HE22 GLN 57 1HE2 GLN 57 5.398 9.740 -6.619 405 H VAL 58 H VAL 58 6.456 4.120 -7.699 406 HA VAL 58 HA VAL 58 9.309 3.820 -7.671 407 HB VAL 58 HB VAL 58 7.090 2.163 -6.439 408 HG11 VAL 58 1HG1 VAL 58 10.097 1.997 -6.164 409 HG12 VAL 58 2HG1 VAL 58 8.968 0.700 -6.555 410 HG13 VAL 58 3HG1 VAL 58 9.004 1.376 -4.926 411 HG21 VAL 58 3HG2 VAL 58 7.512 3.411 -4.457 412 HG22 VAL 58 1HG2 VAL 58 7.488 4.610 -5.749 413 HG23 VAL 58 2HG2 VAL 58 9.027 4.053 -5.090 414 H TYR 59 H TYR 59 6.692 1.718 -8.846 415 HA TYR 59 HA TYR 59 8.691 0.319 -10.584 416 HB2 TYR 59 1HB TYR 59 8.094 -1.072 -8.586 417 HB3 TYR 59 2HB TYR 59 6.411 -1.036 -9.114 418 HD1 TYR 59 HD1 TYR 59 5.726 -2.155 -11.212 419 HD2 TYR 59 HD2 TYR 59 9.762 -2.370 -9.765 420 HE1 TYR 59 HE1 TYR 59 6.182 -4.034 -12.767 421 HE2 TYR 59 HE2 TYR 59 10.220 -4.248 -11.320 422 HH TYR 59 HH TYR 59 8.560 -6.109 -12.493 423 H ALA 60 H ALA 60 8.118 0.622 -12.629 424 HA ALA 60 HA ALA 60 5.553 1.676 -13.411 425 HB1 ALA 60 3HB ALA 60 7.928 0.625 -14.941 426 HB2 ALA 60 1HB ALA 60 7.389 2.294 -14.770 427 HB3 ALA 60 2HB ALA 60 6.464 1.166 -15.763 428 H ASN 61 H ASN 61 3.861 0.703 -14.454 429 HA ASN 61 HA ASN 61 2.343 -0.985 -14.958 430 HB2 ASN 61 1HB ASN 61 4.215 -1.437 -16.652 431 HB3 ASN 61 2HB ASN 61 4.738 -2.731 -15.573 432 HD21 ASN 61 2HD2 ASN 61 3.567 -3.019 -18.305 433 HD22 ASN 61 1HD2 ASN 61 2.161 -3.951 -18.112 434 H VAL 62 H VAL 62 3.029 -0.706 -12.285 435 HA VAL 62 HA VAL 62 3.672 -3.255 -11.069 436 HB VAL 62 HB VAL 62 4.066 -1.015 -10.000 437 HG11 VAL 62 1HG1 VAL 62 1.128 -1.070 -9.295 438 HG12 VAL 62 2HG1 VAL 62 1.717 -0.194 -10.707 439 HG13 VAL 62 3HG1 VAL 62 2.284 0.249 -9.098 440 HG21 VAL 62 3HG2 VAL 62 2.345 -3.011 -8.495 441 HG22 VAL 62 1HG2 VAL 62 3.345 -1.771 -7.740 442 HG23 VAL 62 2HG2 VAL 62 4.099 -3.066 -8.667 443 H GLU 63 H GLU 63 2.331 -4.804 -10.297 444 HA GLU 63 HA GLU 63 -0.596 -4.501 -10.853 445 HB2 GLU 63 1HB GLU 63 1.177 -6.959 -10.787 446 HB3 GLU 63 2HB GLU 63 -0.579 -7.015 -10.949 447 HG2 GLU 63 1HG GLU 63 1.248 -5.498 -12.835 448 HG3 GLU 63 2HG GLU 63 0.645 -7.126 -13.145 449 H TYR 64 H TYR 64 -2.008 -4.842 -9.208 450 HA TYR 64 HA TYR 64 -1.077 -6.094 -6.697 451 HB2 TYR 64 1HB TYR 64 -1.843 -4.176 -5.335 452 HB3 TYR 64 2HB TYR 64 -0.493 -3.742 -6.381 453 HD1 TYR 64 HD1 TYR 64 -4.119 -3.367 -5.802 454 HD2 TYR 64 HD2 TYR 64 -0.800 -2.260 -8.297 455 HE1 TYR 64 HE1 TYR 64 -5.480 -1.553 -6.811 456 HE2 TYR 64 HE2 TYR 64 -2.163 -0.450 -9.305 457 HH TYR 64 HH TYR 64 -4.323 0.964 -8.373 458 H GLU 65 H GLU 65 -2.855 -6.481 -5.202 459 HA GLU 65 HA GLU 65 -5.586 -6.304 -6.359 460 HB2 GLU 65 1HB GLU 65 -4.585 -8.540 -6.978 461 HB3 GLU 65 2HB GLU 65 -4.430 -8.882 -5.255 462 HG2 GLU 65 1HG GLU 65 -6.497 -9.876 -6.017 463 HG3 GLU 65 2HG GLU 65 -6.911 -8.477 -5.029 464 H VAL 66 H VAL 66 -7.215 -6.313 -4.769 465 HA VAL 66 HA VAL 66 -6.234 -5.968 -1.962 466 HB VAL 66 HB VAL 66 -8.588 -4.763 -3.420 467 HG11 VAL 66 1HG1 VAL 66 -8.913 -3.567 -1.172 468 HG12 VAL 66 2HG1 VAL 66 -7.884 -4.820 -0.478 469 HG13 VAL 66 3HG1 VAL 66 -9.417 -5.255 -1.234 470 HG21 VAL 66 3HG2 VAL 66 -6.308 -3.433 -1.934 471 HG22 VAL 66 1HG2 VAL 66 -7.451 -2.684 -3.050 472 HG23 VAL 66 2HG2 VAL 66 -6.231 -3.803 -3.657 473 H ALA 67 H ALA 67 -6.947 -7.322 -0.463 474 HA ALA 67 HA ALA 67 -8.720 -9.504 -1.220 475 HB1 ALA 67 3HB ALA 67 -7.093 -10.349 0.191 476 HB2 ALA 67 1HB ALA 67 -8.297 -9.944 1.415 477 HB3 ALA 67 2HB ALA 67 -6.960 -8.842 1.092 478 HA PRO 68 HA PRO 68 -12.617 -8.047 0.307 479 HB2 PRO 68 1HB PRO 68 -12.705 -10.380 2.184 480 HB3 PRO 68 2HB PRO 68 -13.892 -9.864 0.969 481 HG2 PRO 68 1HG PRO 68 -12.275 -11.972 0.577 482 HG3 PRO 68 2HG PRO 68 -12.791 -10.915 -0.749 483 HD2 PRO 68 1HD PRO 68 -10.124 -11.106 0.572 484 HD3 PRO 68 2HD PRO 68 -10.548 -10.623 -1.083 485 H VAL 69 H VAL 69 -12.997 -6.457 1.748 486 HA VAL 69 HA VAL 69 -11.872 -6.671 4.512 487 HB VAL 69 HB VAL 69 -11.759 -4.308 2.624 488 HG11 VAL 69 1HG1 VAL 69 -12.436 -3.367 4.712 489 HG12 VAL 69 2HG1 VAL 69 -10.684 -3.183 4.670 490 HG13 VAL 69 3HG1 VAL 69 -11.410 -4.474 5.622 491 HG21 VAL 69 3HG2 VAL 69 -9.538 -5.532 4.273 492 HG22 VAL 69 1HG2 VAL 69 -9.406 -4.516 2.836 493 HG23 VAL 69 2HG2 VAL 69 -9.961 -6.183 2.691 494 H ALA 70 H ALA 70 -13.259 -6.136 6.087 495 HA ALA 70 HA ALA 70 -16.055 -5.742 5.501 496 HB1 ALA 70 3HB ALA 70 -14.735 -5.234 8.170 497 HB2 ALA 70 1HB ALA 70 -15.008 -6.867 7.562 498 HB3 ALA 70 2HB ALA 70 -16.377 -5.793 7.855 499 H ASP 71 H ASP 71 -17.330 -3.900 5.981 500 HA ASP 71 HA ASP 71 -16.204 -1.380 5.211 501 HB2 ASP 71 1HB ASP 71 -18.840 -2.289 6.346 502 HB3 ASP 71 2HB ASP 71 -18.499 -0.561 6.250 503 H ASN 72 H ASN 72 -16.867 -2.853 8.343 504 HA ASN 72 HA ASN 72 -16.018 -0.383 9.755 505 HB2 ASN 72 1HB ASN 72 -16.738 -1.555 11.784 506 HB3 ASN 72 2HB ASN 72 -18.007 -1.639 10.563 507 HD21 ASN 72 2HD2 ASN 72 -18.598 -3.608 12.041 508 HD22 ASN 72 1HD2 ASN 72 -17.892 -5.096 11.635 509 H ALA 73 H ALA 73 -14.306 -2.449 8.165 510 HA ALA 73 HA ALA 73 -12.552 -3.708 10.062 511 HB1 ALA 73 3HB ALA 73 -10.966 -3.792 8.076 512 HB2 ALA 73 1HB ALA 73 -12.197 -2.917 7.166 513 HB3 ALA 73 2HB ALA 73 -12.549 -4.521 7.807 514 H THR 74 H THR 74 -10.582 -3.021 10.889 515 HA THR 74 HA THR 74 -10.104 -0.079 10.817 516 HB THR 74 HB THR 74 -8.801 -0.453 12.861 517 HG1 THR 74 HG1 THR 74 -8.643 -2.903 11.909 518 HG21 THR 74 3HG2 THR 74 -11.422 -1.969 12.952 519 HG22 THR 74 1HG2 THR 74 -11.271 -0.214 13.020 520 HG23 THR 74 2HG2 THR 74 -10.608 -1.207 14.318 521 H GLU 75 H GLU 75 -9.061 -2.799 9.252 522 HA GLU 75 HA GLU 75 -6.434 -1.525 8.624 523 HB2 GLU 75 1HB GLU 75 -6.865 -4.423 9.391 524 HB3 GLU 75 2HB GLU 75 -5.397 -3.820 8.620 525 HG2 GLU 75 1HG GLU 75 -5.025 -2.268 10.469 526 HG3 GLU 75 2HG GLU 75 -6.528 -2.780 11.232 527 H LEU 76 H LEU 76 -5.543 -2.285 6.581 528 HA LEU 76 HA LEU 76 -7.623 -3.396 4.728 529 HB2 LEU 76 1HB LEU 76 -7.125 -0.909 4.472 530 HB3 LEU 76 2HB LEU 76 -5.498 -1.379 3.982 531 HG LEU 76 HG LEU 76 -6.826 -2.997 2.318 532 HD11 LEU 76 1HD1 LEU 76 -8.754 -0.677 2.501 533 HD12 LEU 76 2HD1 LEU 76 -9.027 -2.179 3.376 534 HD13 LEU 76 3HD1 LEU 76 -8.947 -2.191 1.617 535 HD21 LEU 76 3HD2 LEU 76 -6.550 -0.012 1.849 536 HD22 LEU 76 1HD2 LEU 76 -6.698 -1.243 0.593 537 HD23 LEU 76 2HD2 LEU 76 -5.273 -1.209 1.630 538 H HIS 77 H HIS 77 -6.999 -5.112 3.602 539 HA HIS 77 HA HIS 77 -4.133 -5.950 3.715 540 HB2 HIS 77 1HB HIS 77 -6.680 -7.530 3.261 541 HB3 HIS 77 2HB HIS 77 -5.057 -8.217 3.182 542 HD1 HIS 77 HD1 HIS 77 -3.614 -8.047 5.441 543 HD2 HIS 77 HD2 HIS 77 -7.686 -7.256 5.854 544 HE1 HIS 77 HE1 HIS 77 -4.122 -8.186 7.918 545 H ALA 78 H ALA 78 -2.992 -5.888 1.882 546 HA ALA 78 HA ALA 78 -4.324 -6.268 -0.727 547 HB1 ALA 78 3HB ALA 78 -4.491 -3.875 -0.511 548 HB2 ALA 78 1HB ALA 78 -3.165 -4.210 -1.627 549 HB3 ALA 78 2HB ALA 78 -2.819 -3.761 0.043 550 H ARG 79 H ARG 79 -2.775 -6.598 -2.459 551 HA ARG 79 HA ARG 79 -0.049 -7.411 -1.507 552 HB2 ARG 79 1HB ARG 79 -1.917 -8.871 -3.394 553 HB3 ARG 79 2HB ARG 79 -0.217 -9.290 -3.173 554 HG2 ARG 79 1HG ARG 79 -0.628 -9.620 -0.751 555 HG3 ARG 79 2HG ARG 79 -2.334 -9.250 -0.997 556 HD2 ARG 79 1HD ARG 79 -0.864 -11.507 -2.388 557 HD3 ARG 79 2HD ARG 79 -1.844 -11.712 -0.939 558 HE ARG 79 HE ARG 79 -2.851 -11.397 -3.639 559 HH11 ARG 79 1HH2 ARG 79 -3.452 -10.741 -0.293 560 HH12 ARG 79 2HH2 ARG 79 -5.174 -10.721 -0.482 561 HH21 ARG 79 1HH1 ARG 79 -5.081 -11.373 -3.882 562 HH22 ARG 79 2HH1 ARG 79 -6.094 -11.079 -2.509 563 H PHE 80 H PHE 80 1.621 -6.918 -2.881 564 HA PHE 80 HA PHE 80 0.957 -5.525 -5.455 565 HB2 PHE 80 1HB PHE 80 2.873 -4.726 -3.261 566 HB3 PHE 80 2HB PHE 80 3.038 -4.113 -4.906 567 HD1 PHE 80 HD2 PHE 80 0.626 -4.406 -2.068 568 HD2 PHE 80 HD1 PHE 80 1.694 -2.332 -5.673 569 HE1 PHE 80 HE2 PHE 80 -1.138 -2.722 -1.623 570 HE2 PHE 80 HE1 PHE 80 -0.071 -0.649 -5.230 571 HZ PHE 80 HZ PHE 80 -1.487 -0.843 -3.205 572 H LYS 81 H LYS 81 2.456 -5.804 -7.123 573 HA LYS 81 HA LYS 81 4.382 -8.060 -6.735 574 HB2 LYS 81 1HB LYS 81 2.419 -8.352 -8.344 575 HB3 LYS 81 2HB LYS 81 3.208 -7.144 -9.358 576 HG2 LYS 81 1HG LYS 81 5.204 -8.516 -9.537 577 HG3 LYS 81 2HG LYS 81 4.547 -9.688 -8.396 578 HD2 LYS 81 1HD LYS 81 2.695 -10.167 -9.956 579 HD3 LYS 81 2HD LYS 81 3.373 -9.016 -11.109 580 HE2 LYS 81 1HE LYS 81 5.448 -10.355 -11.220 581 HE3 LYS 81 2HE LYS 81 4.763 -11.507 -10.075 582 HZ1 LYS 81 3HZ LYS 81 3.219 -12.242 -11.599 583 HZ2 LYS 81 1HZ LYS 81 4.573 -11.977 -12.584 584 HZ3 LYS 81 2HZ LYS 81 3.313 -10.838 -12.550 585 H PHE 82 H PHE 82 6.486 -7.703 -7.127 586 HA PHE 82 HA PHE 82 7.298 -5.247 -8.628 587 HB2 PHE 82 1HB PHE 82 8.404 -6.134 -5.946 588 HB3 PHE 82 2HB PHE 82 9.032 -4.809 -6.922 589 HD1 PHE 82 HD2 PHE 82 7.230 -3.042 -7.701 590 HD2 PHE 82 HD1 PHE 82 6.806 -5.631 -4.305 591 HE1 PHE 82 HE2 PHE 82 5.547 -1.497 -6.738 592 HE2 PHE 82 HE1 PHE 82 5.122 -4.089 -3.340 593 HZ PHE 82 HZ PHE 82 4.491 -2.022 -4.556 594 H GLU 83 H GLU 83 10.022 -6.250 -7.309 595 HA GLU 83 HA GLU 83 10.535 -8.620 -8.997 596 HB2 GLU 83 1HB GLU 83 10.937 -6.645 -10.472 597 HB3 GLU 83 2HB GLU 83 12.103 -6.040 -9.294 598 HG2 GLU 83 1HG GLU 83 13.479 -8.041 -9.578 599 HG3 GLU 83 2HG GLU 83 12.295 -8.722 -10.694 600 H VAL 84 H VAL 84 11.644 -6.243 -6.620 601 HA VAL 84 HA VAL 84 13.323 -8.386 -5.378 602 HB VAL 84 HB VAL 84 15.058 -6.705 -4.858 603 HG11 VAL 84 1HG1 VAL 84 15.088 -8.153 -6.939 604 HG12 VAL 84 2HG1 VAL 84 16.050 -6.679 -7.040 605 HG13 VAL 84 3HG1 VAL 84 14.473 -6.758 -7.826 606 HG21 VAL 84 3HG2 VAL 84 13.762 -4.661 -4.895 607 HG22 VAL 84 1HG2 VAL 84 13.302 -4.924 -6.577 608 HG23 VAL 84 2HG2 VAL 84 14.976 -4.547 -6.170 609 H SER 85 H SER 85 13.720 -8.062 -3.118 610 HA SER 85 HA SER 85 11.388 -7.091 -1.693 611 HB2 SER 85 1HB SER 85 12.625 -7.836 0.312 612 HB3 SER 85 2HB SER 85 12.671 -9.066 -0.947 613 HG SER 85 HG SER 85 14.684 -7.134 -0.397 614 H ALA 86 H ALA 86 14.340 -5.671 -2.706 615 HA ALA 86 HA ALA 86 14.738 -3.747 -0.624 616 HB1 ALA 86 3HB ALA 86 16.016 -2.487 -2.339 617 HB2 ALA 86 1HB ALA 86 15.365 -3.550 -3.586 618 HB3 ALA 86 2HB ALA 86 16.441 -4.200 -2.349 619 H GLU 87 H GLU 87 12.750 -3.729 -3.544 620 HA GLU 87 HA GLU 87 11.897 -0.986 -3.335 621 HB2 GLU 87 1HB GLU 87 10.672 -3.400 -4.695 622 HB3 GLU 87 2HB GLU 87 10.028 -1.765 -4.853 623 HG2 GLU 87 1HG GLU 87 12.174 -0.990 -5.762 624 HG3 GLU 87 2HG GLU 87 12.854 -2.605 -5.567 625 H LYS 88 H LYS 88 10.705 -4.032 -2.033 626 HA LYS 88 HA LYS 88 8.191 -3.092 -1.085 627 HB2 LYS 88 1HB LYS 88 8.662 -5.474 -1.111 628 HB3 LYS 88 2HB LYS 88 10.039 -5.254 -0.034 629 HG2 LYS 88 1HG LYS 88 8.010 -6.129 1.139 630 HG3 LYS 88 2HG LYS 88 8.565 -4.590 1.795 631 HD2 LYS 88 1HD LYS 88 6.831 -3.381 0.706 632 HD3 LYS 88 2HD LYS 88 6.441 -4.740 -0.347 633 HE2 LYS 88 1HE LYS 88 5.591 -6.011 1.550 634 HE3 LYS 88 2HE LYS 88 6.116 -4.753 2.663 635 HZ1 LYS 88 3HZ LYS 88 3.787 -4.858 0.975 636 HZ2 LYS 88 1HZ LYS 88 4.618 -3.381 0.899 637 HZ3 LYS 88 2HZ LYS 88 4.063 -3.967 2.395 638 H LEU 89 H LEU 89 11.392 -3.206 0.438 639 HA LEU 89 HA LEU 89 10.616 -2.186 2.972 640 HB2 LEU 89 1HB LEU 89 12.842 -3.228 2.423 641 HB3 LEU 89 2HB LEU 89 13.258 -1.757 1.549 642 HG LEU 89 HG LEU 89 12.918 -0.445 3.639 643 HD11 LEU 89 1HD1 LEU 89 12.994 -2.063 5.762 644 HD12 LEU 89 2HD1 LEU 89 12.172 -3.171 4.660 645 HD13 LEU 89 3HD1 LEU 89 11.461 -1.600 5.029 646 HD21 LEU 89 3HD2 LEU 89 14.845 -2.723 4.152 647 HD22 LEU 89 1HD2 LEU 89 15.014 -1.029 4.614 648 HD23 LEU 89 2HD2 LEU 89 15.152 -1.499 2.920 649 H ILE 90 H ILE 90 11.946 -0.487 0.136 650 HA ILE 90 HA ILE 90 11.721 2.149 1.274 651 HB ILE 90 HB ILE 90 11.849 1.198 -1.606 652 HG12 ILE 90 1HG1 ILE 90 13.963 2.545 0.096 653 HG13 ILE 90 2HG1 ILE 90 13.819 0.793 -0.045 654 HG21 ILE 90 1HG2 ILE 90 11.852 3.970 -0.399 655 HG22 ILE 90 2HG2 ILE 90 10.865 3.353 -1.724 656 HG23 ILE 90 3HG2 ILE 90 12.587 3.644 -1.969 657 HD11 ILE 90 3HD1 ILE 90 15.469 1.640 -1.657 658 HD12 ILE 90 1HD1 ILE 90 14.260 2.728 -2.341 659 HD13 ILE 90 2HD1 ILE 90 14.070 0.982 -2.506 660 H PHE 91 H PHE 91 9.590 0.256 -0.850 661 HA PHE 91 HA PHE 91 7.629 2.253 -1.321 662 HB2 PHE 91 1HB PHE 91 7.684 0.101 -2.532 663 HB3 PHE 91 2HB PHE 91 7.254 -0.744 -1.044 664 HD1 PHE 91 HD1 PHE 91 6.067 2.120 -3.153 665 HD2 PHE 91 HD2 PHE 91 4.986 -1.197 -0.650 666 HE1 PHE 91 HE1 PHE 91 3.672 2.556 -3.613 667 HE2 PHE 91 HE2 PHE 91 2.590 -0.763 -1.110 668 HZ PHE 91 HZ PHE 91 1.931 1.115 -2.590 669 H GLU 92 H GLU 92 7.837 -0.191 1.249 670 HA GLU 92 HA GLU 92 5.423 0.601 2.590 671 HB2 GLU 92 1HB GLU 92 6.847 -1.565 2.848 672 HB3 GLU 92 2HB GLU 92 7.805 -0.621 3.984 673 HG2 GLU 92 1HG GLU 92 4.799 -0.987 4.182 674 HG3 GLU 92 2HG GLU 92 5.978 -1.942 5.079 675 H LEU 93 H LEU 93 8.825 1.485 2.973 676 HA LEU 93 HA LEU 93 8.497 3.112 5.293 677 HB2 LEU 93 1HB LEU 93 10.661 2.237 3.987 678 HB3 LEU 93 2HB LEU 93 10.548 3.808 3.204 679 HG LEU 93 HG LEU 93 12.005 3.999 5.135 680 HD11 LEU 93 1HD1 LEU 93 10.227 5.793 4.567 681 HD12 LEU 93 2HD1 LEU 93 11.010 5.885 6.145 682 HD13 LEU 93 3HD1 LEU 93 9.387 5.212 6.008 683 HD21 LEU 93 3HD2 LEU 93 9.881 3.418 7.144 684 HD22 LEU 93 1HD2 LEU 93 11.602 3.041 7.183 685 HD23 LEU 93 2HD2 LEU 93 10.496 2.009 6.282 686 H LYS 94 H LYS 94 8.549 3.946 1.845 687 HA LYS 94 HA LYS 94 8.115 6.749 2.211 688 HB2 LYS 94 1HB LYS 94 7.533 4.897 -0.110 689 HB3 LYS 94 2HB LYS 94 7.336 6.648 -0.193 690 HG2 LYS 94 1HG LYS 94 9.703 6.970 0.341 691 HG3 LYS 94 2HG LYS 94 9.918 5.232 0.538 692 HD2 LYS 94 1HD LYS 94 10.701 5.674 -1.657 693 HD3 LYS 94 2HD LYS 94 9.081 5.023 -1.891 694 HE2 LYS 94 1HE LYS 94 8.165 7.205 -2.279 695 HE3 LYS 94 2HE LYS 94 9.640 7.996 -1.725 696 HZ1 LYS 94 3HZ LYS 94 8.993 7.119 -4.307 697 HZ2 LYS 94 1HZ LYS 94 10.334 6.233 -3.767 698 HZ3 LYS 94 2HZ LYS 94 10.389 7.931 -3.783 699 H THR 95 H THR 95 5.883 4.054 1.632 700 HA THR 95 HA THR 95 3.505 5.678 1.565 701 HB THR 95 HB THR 95 2.335 3.496 1.934 702 HG1 THR 95 HG1 THR 95 4.988 2.748 2.417 703 HG21 THR 95 3HG2 THR 95 4.489 3.756 -0.156 704 HG22 THR 95 1HG2 THR 95 2.752 4.000 -0.328 705 HG23 THR 95 2HG2 THR 95 3.398 2.371 -0.130 706 H ARG 96 H ARG 96 5.262 4.018 4.124 707 HA ARG 96 HA ARG 96 3.290 4.329 6.182 708 HB2 ARG 96 1HB ARG 96 5.268 2.815 6.351 709 HB3 ARG 96 2HB ARG 96 6.310 4.234 6.458 710 HG2 ARG 96 1HG ARG 96 5.165 4.948 8.509 711 HG3 ARG 96 2HG ARG 96 4.076 3.566 8.397 712 HD2 ARG 96 1HD ARG 96 6.090 2.058 8.505 713 HD3 ARG 96 2HD ARG 96 7.077 3.486 8.819 714 HE ARG 96 HE ARG 96 4.860 3.321 10.667 715 HH11 ARG 96 1HH2 ARG 96 7.990 2.065 9.900 716 HH12 ARG 96 2HH2 ARG 96 8.356 1.639 11.538 717 HH21 ARG 96 1HH1 ARG 96 5.331 2.763 12.795 718 HH22 ARG 96 2HH1 ARG 96 6.855 2.033 13.173 719 H ALA 97 H ALA 97 6.015 6.349 5.145 720 HA ALA 97 HA ALA 97 5.768 8.365 7.152 721 HB1 ALA 97 3HB ALA 97 6.751 8.558 4.290 722 HB2 ALA 97 1HB ALA 97 7.741 8.215 5.707 723 HB3 ALA 97 2HB ALA 97 6.993 9.802 5.516 724 H LEU 98 H LEU 98 4.269 7.999 3.968 725 HA LEU 98 HA LEU 98 2.910 10.521 3.921 726 HB2 LEU 98 1HB LEU 98 2.284 7.867 2.604 727 HB3 LEU 98 2HB LEU 98 1.397 9.351 2.260 728 HG LEU 98 HG LEU 98 4.400 9.042 1.945 729 HD11 LEU 98 1HD1 LEU 98 2.156 8.858 -0.082 730 HD12 LEU 98 2HD1 LEU 98 3.342 7.616 0.314 731 HD13 LEU 98 3HD1 LEU 98 3.849 9.081 -0.521 732 HD21 LEU 98 3HD2 LEU 98 3.812 11.139 0.399 733 HD22 LEU 98 1HD2 LEU 98 4.082 11.343 2.127 734 HD23 LEU 98 2HD2 LEU 98 2.438 11.278 1.494 735 H ALA 99 H ALA 99 1.991 7.331 5.118 736 HA ALA 99 HA ALA 99 -0.651 8.263 5.986 737 HB1 ALA 99 3HB ALA 99 0.758 5.668 6.663 738 HB2 ALA 99 1HB ALA 99 -0.180 5.912 5.192 739 HB3 ALA 99 2HB ALA 99 -0.973 5.995 6.766 740 H ARG 100 H ARG 100 2.463 8.544 7.154 741 HA ARG 100 HA ARG 100 1.814 8.309 10.019 742 HB2 ARG 100 1HB ARG 100 4.081 7.718 9.127 743 HB3 ARG 100 2HB ARG 100 4.301 9.406 8.670 744 HG2 ARG 100 1HG ARG 100 4.129 10.113 10.983 745 HG3 ARG 100 2HG ARG 100 3.720 8.476 11.494 746 HD2 ARG 100 1HD ARG 100 6.335 9.262 10.174 747 HD3 ARG 100 2HD ARG 100 6.113 9.046 11.910 748 HE ARG 100 HE ARG 100 5.204 6.672 10.733 749 HH11 ARG 100 1HH2 ARG 100 8.107 8.540 10.879 750 HH12 ARG 100 2HH2 ARG 100 9.148 7.168 10.701 751 HH21 ARG 100 1HH1 ARG 100 6.553 4.884 10.503 752 HH22 ARG 100 2HH1 ARG 100 8.270 5.103 10.491 753 H LEU 101 H LEU 101 1.658 10.643 7.551 754 HA LEU 101 HA LEU 101 1.132 12.905 7.525 755 HB2 LEU 101 1HB LEU 101 0.055 12.066 10.217 756 HB3 LEU 101 2HB LEU 101 -0.037 13.744 9.694 757 HG LEU 101 HG LEU 101 -2.077 12.356 9.139 758 HD11 LEU 101 1HD1 LEU 101 -0.889 13.154 6.499 759 HD12 LEU 101 2HD1 LEU 101 -1.042 14.402 7.737 760 HD13 LEU 101 3HD1 LEU 101 -2.468 13.528 7.186 761 HD21 LEU 101 3HD2 LEU 101 -0.316 11.084 7.035 762 HD22 LEU 101 1HD2 LEU 101 -1.958 10.635 7.492 763 HD23 LEU 101 2HD2 LEU 101 -0.617 10.314 8.591 764 H GLU 102 H GLU 102 2.580 14.455 7.508 765 HA GLU 102 HA GLU 102 4.944 14.451 9.077 766 HB2 GLU 102 1HB GLU 102 5.204 16.822 8.218 767 HB3 GLU 102 2HB GLU 102 4.939 15.607 6.969 768 HG2 GLU 102 1HG GLU 102 2.521 16.175 6.949 769 HG3 GLU 102 2HG GLU 102 2.819 17.427 8.154 770 H HIS 103 H HIS 103 5.413 15.272 11.042 771 HA HIS 103 HA HIS 103 3.218 16.515 12.611 772 HB2 HIS 103 1HB HIS 103 4.428 14.603 13.602 773 HB3 HIS 103 2HB HIS 103 5.946 15.487 13.450 774 HD1 HIS 103 HD1 HIS 103 6.403 17.390 15.136 775 HD2 HIS 103 HD2 HIS 103 2.673 15.595 15.641 776 HE1 HIS 103 HE1 HIS 103 5.488 18.244 17.339 777 H HIS 104 H HIS 104 6.720 17.013 12.764 778 HA HIS 104 HA HIS 104 7.919 18.998 13.147 779 HB2 HIS 104 1HB HIS 104 7.434 18.851 10.615 780 HB3 HIS 104 2HB HIS 104 6.229 20.104 10.901 781 HD1 HIS 104 HD1 HIS 104 9.857 19.605 12.026 782 HD2 HIS 104 HD2 HIS 104 7.380 22.563 10.446 783 HE1 HIS 104 HE1 HIS 104 11.288 21.679 11.773 784 H HIS 105 H HIS 105 6.967 21.682 12.472 785 HA HIS 105 HA HIS 105 4.685 22.143 14.280 786 HB2 HIS 105 1HB HIS 105 5.987 23.770 15.641 787 HB3 HIS 105 2HB HIS 105 6.561 22.116 15.835 788 HD1 HIS 105 HD1 HIS 105 7.359 24.573 13.025 789 HD2 HIS 105 HD2 HIS 105 9.302 22.479 16.063 790 HE1 HIS 105 HE1 HIS 105 9.836 25.017 12.733 791 H HIS 106 H HIS 106 4.092 24.480 14.277 792 HA HIS 106 HA HIS 106 4.133 25.492 11.555 793 HB2 HIS 106 1HB HIS 106 2.123 25.773 12.863 794 HB3 HIS 106 2HB HIS 106 3.010 26.610 14.137 795 HD1 HIS 106 HD1 HIS 106 2.159 27.045 10.451 796 HD2 HIS 106 HD2 HIS 106 3.155 29.360 13.771 797 HE1 HIS 106 HE1 HIS 106 1.965 29.462 9.721 798 H HIS 107 H HIS 107 5.443 26.992 10.699 799 HA HIS 107 HA HIS 107 6.893 28.899 12.425 800 HB2 HIS 107 1HB HIS 107 9.083 28.307 11.452 801 HB3 HIS 107 2HB HIS 107 8.400 26.957 12.356 802 HD1 HIS 107 HD1 HIS 107 7.055 25.139 10.799 803 HD2 HIS 107 HD2 HIS 107 9.724 27.668 8.833 804 HE1 HIS 107 HE1 HIS 107 7.545 24.064 8.557 805 H HIS 108 H HIS 108 8.006 30.550 11.118 806 HA HIS 108 HA HIS 108 7.561 30.746 8.264 807 HB2 HIS 108 1HB HIS 108 5.973 32.627 8.311 808 HB3 HIS 108 2HB HIS 108 5.254 31.197 9.051 809 HD1 HIS 108 HD1 HIS 108 4.907 31.223 11.631 810 HD2 HIS 108 HD2 HIS 108 6.508 34.764 10.119 811 HE1 HIS 108 HE1 HIS 108 4.718 32.942 13.481 Start of MODEL 13 1 H1 MET 1 1H MET 1 -33.549 -22.790 25.270 2 H2 MET 1 2H MET 1 -33.760 -22.922 26.951 3 H3 MET 1 3H MET 1 -33.525 -24.317 26.010 4 HA MET 1 HA MET 1 -31.295 -23.280 25.368 5 HB2 MET 1 1HB MET 1 -31.858 -21.051 26.320 6 HB3 MET 1 2HB MET 1 -31.946 -21.780 27.923 7 HG2 MET 1 1HG MET 1 -29.590 -22.438 27.791 8 HG3 MET 1 2HG MET 1 -29.487 -21.798 26.150 9 HE1 MET 1 3HE MET 1 -31.404 -20.010 29.353 10 HE2 MET 1 1HE MET 1 -29.859 -19.626 30.123 11 HE3 MET 1 2HE MET 1 -30.252 -21.293 29.714 12 H SER 2 H SER 2 -31.880 -23.291 28.856 13 HA SER 2 HA SER 2 -29.978 -25.367 29.372 14 HB2 SER 2 1HB SER 2 -30.942 -25.368 31.654 15 HB3 SER 2 2HB SER 2 -30.668 -23.725 31.081 16 HG SER 2 HG SER 2 -32.929 -23.797 30.388 17 H ASN 3 H ASN 3 -33.446 -25.403 28.788 18 HA ASN 3 HA ASN 3 -33.963 -28.099 29.620 19 HB2 ASN 3 1HB ASN 3 -35.309 -26.309 27.579 20 HB3 ASN 3 2HB ASN 3 -35.932 -27.897 28.024 21 HD21 ASN 3 2HD2 ASN 3 -37.427 -25.495 28.545 22 HD22 ASN 3 1HD2 ASN 3 -37.516 -25.283 30.226 23 H GLN 4 H GLN 4 -32.935 -26.697 26.533 24 HA GLN 4 HA GLN 4 -32.942 -29.298 25.185 25 HB2 GLN 4 1HB GLN 4 -31.936 -26.559 24.366 26 HB3 GLN 4 2HB GLN 4 -31.859 -27.979 23.319 27 HG2 GLN 4 1HG GLN 4 -34.293 -28.237 23.448 28 HG3 GLN 4 2HG GLN 4 -34.399 -26.866 24.551 29 HE21 GLN 4 2HE2 GLN 4 -34.693 -27.688 21.303 30 HE22 GLN 4 1HE2 GLN 4 -34.436 -26.154 20.623 31 H THR 5 H THR 5 -31.353 -30.737 25.452 32 HA THR 5 HA THR 5 -28.673 -29.829 26.408 33 HB THR 5 HB THR 5 -28.348 -32.167 27.072 34 HG1 THR 5 HG1 THR 5 -30.958 -32.808 26.336 35 HG21 THR 5 3HG2 THR 5 -31.163 -31.449 27.888 36 HG22 THR 5 1HG2 THR 5 -29.776 -30.527 28.465 37 HG23 THR 5 2HG2 THR 5 -29.914 -32.242 28.846 38 H CYS 6 H CYS 6 -30.323 -30.789 23.618 39 HA CYS 6 HA CYS 6 -27.965 -31.994 22.291 40 HB2 CYS 6 1HB CYS 6 -30.544 -32.606 22.022 41 HB3 CYS 6 2HB CYS 6 -30.499 -31.317 20.823 42 HG CYS 6 HG CYS 6 -28.630 -33.826 20.669 43 H VAL 7 H VAL 7 -28.749 -28.951 23.069 44 HA VAL 7 HA VAL 7 -28.576 -27.528 20.577 45 HB VAL 7 HB VAL 7 -29.442 -26.543 22.699 46 HG11 VAL 7 1HG1 VAL 7 -27.588 -27.568 24.113 47 HG12 VAL 7 2HG1 VAL 7 -27.950 -25.875 24.451 48 HG13 VAL 7 3HG1 VAL 7 -26.531 -26.299 23.495 49 HG21 VAL 7 3HG2 VAL 7 -28.596 -25.151 20.769 50 HG22 VAL 7 1HG2 VAL 7 -27.052 -25.026 21.612 51 HG23 VAL 7 2HG2 VAL 7 -28.509 -24.342 22.333 52 H GLU 8 H GLU 8 -26.858 -26.835 19.431 53 HA GLU 8 HA GLU 8 -24.145 -26.914 20.570 54 HB2 GLU 8 1HB GLU 8 -23.226 -28.376 18.859 55 HB3 GLU 8 2HB GLU 8 -24.516 -29.225 19.703 56 HG2 GLU 8 1HG GLU 8 -26.081 -28.674 17.863 57 HG3 GLU 8 2HG GLU 8 -24.785 -27.837 17.012 58 H ASN 9 H ASN 9 -22.827 -26.717 18.060 59 HA ASN 9 HA ASN 9 -23.268 -23.907 17.505 60 HB2 ASN 9 1HB ASN 9 -21.552 -26.013 16.161 61 HB3 ASN 9 2HB ASN 9 -21.527 -24.308 15.718 62 HD21 ASN 9 2HD2 ASN 9 -19.211 -25.656 16.772 63 HD22 ASN 9 1HD2 ASN 9 -18.859 -24.977 18.288 64 H GLU 10 H GLU 10 -22.564 -25.168 14.569 65 HA GLU 10 HA GLU 10 -23.720 -25.044 12.543 66 HB2 GLU 10 1HB GLU 10 -24.292 -27.321 13.330 67 HB3 GLU 10 2HB GLU 10 -25.721 -26.678 14.139 68 HG2 GLU 10 1HG GLU 10 -26.610 -25.890 11.993 69 HG3 GLU 10 2HG GLU 10 -25.158 -26.449 11.166 70 H VAL 11 H VAL 11 -24.094 -22.752 12.727 71 HA VAL 11 HA VAL 11 -26.938 -22.032 13.361 72 HB VAL 11 HB VAL 11 -24.391 -20.428 13.666 73 HG11 VAL 11 1HG1 VAL 11 -26.062 -18.650 14.512 74 HG12 VAL 11 2HG1 VAL 11 -27.292 -19.572 13.648 75 HG13 VAL 11 3HG1 VAL 11 -25.940 -18.864 12.766 76 HG21 VAL 11 3HG2 VAL 11 -26.598 -21.141 15.625 77 HG22 VAL 11 1HG2 VAL 11 -25.074 -20.334 16.005 78 HG23 VAL 11 2HG2 VAL 11 -25.076 -22.020 15.487 79 H CYS 12 H CYS 12 -28.100 -21.181 11.770 80 HA CYS 12 HA CYS 12 -28.688 -20.602 9.580 81 HB2 CYS 12 1HB CYS 12 -26.212 -18.874 9.897 82 HB3 CYS 12 2HB CYS 12 -27.503 -18.622 8.720 83 HG CYS 12 HG CYS 12 -27.671 -17.367 11.274 84 H GLU 13 H GLU 13 -26.673 -22.806 10.023 85 HA GLU 13 HA GLU 13 -25.350 -24.236 8.722 86 HB2 GLU 13 1HB GLU 13 -26.915 -22.851 6.519 87 HB3 GLU 13 2HB GLU 13 -25.948 -24.306 6.294 88 HG2 GLU 13 1HG GLU 13 -28.266 -24.065 8.236 89 HG3 GLU 13 2HG GLU 13 -28.372 -24.799 6.637 90 H ALA 14 H ALA 14 -25.434 -21.896 6.134 91 HA ALA 14 HA ALA 14 -23.684 -20.829 5.010 92 HB1 ALA 14 3HB ALA 14 -22.154 -19.508 6.560 93 HB2 ALA 14 1HB ALA 14 -23.043 -20.226 7.907 94 HB3 ALA 14 2HB ALA 14 -23.881 -19.200 6.743 95 H CYS 15 H CYS 15 -22.858 -22.843 4.207 96 HA CYS 15 HA CYS 15 -20.568 -24.059 5.642 97 HB2 CYS 15 1HB CYS 15 -21.821 -24.851 3.002 98 HB3 CYS 15 2HB CYS 15 -20.704 -25.813 3.970 99 HG CYS 15 HG CYS 15 -22.592 -26.535 5.407 100 H GLY 16 H GLY 16 -18.487 -23.986 4.914 101 HA2 GLY 16 1HA GLY 16 -17.790 -21.835 3.040 102 HA3 GLY 16 2HA GLY 16 -16.656 -22.807 3.981 103 H CYS 17 H CYS 17 -19.199 -24.048 1.873 104 HA CYS 17 HA CYS 17 -17.482 -25.933 0.588 105 HB2 CYS 17 1HB CYS 17 -20.180 -25.568 0.689 106 HB3 CYS 17 2HB CYS 17 -19.861 -24.961 -0.931 107 HG CYS 17 HG CYS 17 -19.066 -27.847 -0.012 108 H ALA 18 H ALA 18 -18.476 -22.654 -0.273 109 HA ALA 18 HA ALA 18 -17.393 -22.623 -2.917 110 HB1 ALA 18 3HB ALA 18 -18.978 -20.921 -2.003 111 HB2 ALA 18 1HB ALA 18 -17.565 -20.202 -2.779 112 HB3 ALA 18 2HB ALA 18 -17.665 -20.279 -1.019 113 H GLY 19 H GLY 19 -15.395 -22.120 -3.692 114 HA2 GLY 19 1HA GLY 19 -13.141 -22.230 -1.775 115 HA3 GLY 19 2HA GLY 19 -13.026 -22.386 -3.530 116 H GLU 20 H GLU 20 -15.016 -19.884 -3.236 117 HA GLU 20 HA GLU 20 -14.712 -17.608 -3.712 118 HB2 GLU 20 1HB GLU 20 -14.247 -17.922 -1.153 119 HB3 GLU 20 2HB GLU 20 -12.566 -17.618 -1.589 120 HG2 GLU 20 1HG GLU 20 -13.524 -15.490 -1.003 121 HG3 GLU 20 2HG GLU 20 -13.370 -15.508 -2.761 122 H ILE 21 H ILE 21 -12.854 -19.670 -4.937 123 HA ILE 21 HA ILE 21 -11.051 -19.686 -6.413 124 HB ILE 21 HB ILE 21 -11.581 -16.700 -6.416 125 HG12 ILE 21 1HG1 ILE 21 -12.429 -18.824 -8.404 126 HG13 ILE 21 2HG1 ILE 21 -13.468 -18.274 -7.087 127 HG21 ILE 21 1HG2 ILE 21 -9.929 -18.489 -8.209 128 HG22 ILE 21 2HG2 ILE 21 -9.389 -17.071 -7.309 129 HG23 ILE 21 3HG2 ILE 21 -10.471 -16.881 -8.688 130 HD11 ILE 21 3HD1 ILE 21 -14.034 -16.985 -9.053 131 HD12 ILE 21 1HD1 ILE 21 -12.339 -16.596 -9.343 132 HD13 ILE 21 2HD1 ILE 21 -13.172 -15.921 -7.944 133 H GLY 22 H GLY 22 -8.854 -19.700 -6.275 134 HA2 GLY 22 1HA GLY 22 -7.651 -18.977 -3.751 135 HA3 GLY 22 2HA GLY 22 -6.808 -19.654 -5.141 136 H PHE 23 H PHE 23 -5.251 -17.966 -4.164 137 HA PHE 23 HA PHE 23 -5.809 -15.180 -4.933 138 HB2 PHE 23 1HB PHE 23 -3.291 -16.444 -3.810 139 HB3 PHE 23 2HB PHE 23 -3.600 -14.713 -3.960 140 HD1 PHE 23 HD1 PHE 23 -5.450 -13.657 -2.649 141 HD2 PHE 23 HD2 PHE 23 -4.244 -17.730 -2.015 142 HE1 PHE 23 HE1 PHE 23 -6.626 -13.665 -0.467 143 HE2 PHE 23 HE2 PHE 23 -5.422 -17.737 0.169 144 HZ PHE 23 HZ PHE 23 -6.613 -15.705 0.943 145 H ILE 24 H ILE 24 -5.178 -14.257 -6.765 146 HA ILE 24 HA ILE 24 -4.049 -15.779 -8.941 147 HB ILE 24 HB ILE 24 -4.293 -12.771 -8.689 148 HG12 ILE 24 1HG1 ILE 24 -6.452 -13.764 -8.177 149 HG13 ILE 24 2HG1 ILE 24 -6.513 -13.108 -9.812 150 HG21 ILE 24 1HG2 ILE 24 -2.966 -13.472 -10.605 151 HG22 ILE 24 2HG2 ILE 24 -4.548 -12.936 -11.174 152 HG23 ILE 24 3HG2 ILE 24 -4.191 -14.659 -11.056 153 HD11 ILE 24 3HD1 ILE 24 -7.480 -15.232 -10.079 154 HD12 ILE 24 1HD1 ILE 24 -6.371 -15.986 -8.935 155 HD13 ILE 24 2HD1 ILE 24 -5.803 -15.528 -10.539 156 H ILE 25 H ILE 25 -2.758 -13.310 -6.753 157 HA ILE 25 HA ILE 25 -0.195 -13.040 -7.984 158 HB ILE 25 HB ILE 25 -0.815 -12.796 -5.028 159 HG12 ILE 25 1HG1 ILE 25 -2.442 -11.474 -6.253 160 HG13 ILE 25 2HG1 ILE 25 -1.236 -10.379 -5.582 161 HG21 ILE 25 1HG2 ILE 25 1.001 -11.055 -5.184 162 HG22 ILE 25 2HG2 ILE 25 1.297 -11.596 -6.836 163 HG23 ILE 25 3HG2 ILE 25 1.557 -12.702 -5.487 164 HD11 ILE 25 3HD1 ILE 25 -0.040 -10.695 -7.903 165 HD12 ILE 25 1HD1 ILE 25 -1.428 -9.612 -7.789 166 HD13 ILE 25 2HD1 ILE 25 -1.628 -11.238 -8.440 167 H ARG 26 H ARG 26 -1.364 -15.216 -5.456 168 HA ARG 26 HA ARG 26 -0.481 -17.195 -4.599 169 HB2 ARG 26 1HB ARG 26 1.001 -17.195 -7.252 170 HB3 ARG 26 2HB ARG 26 0.920 -18.560 -6.140 171 HG2 ARG 26 1HG ARG 26 -1.558 -18.536 -6.320 172 HG3 ARG 26 2HG ARG 26 -1.440 -17.216 -7.484 173 HD2 ARG 26 1HD ARG 26 -0.081 -18.644 -8.967 174 HD3 ARG 26 2HD ARG 26 -0.225 -19.973 -7.819 175 HE ARG 26 HE ARG 26 -2.356 -18.982 -9.603 176 HH11 ARG 26 1HH2 ARG 26 -1.425 -20.902 -6.878 177 HH12 ARG 26 2HH2 ARG 26 -2.833 -21.905 -6.950 178 HH21 ARG 26 1HH1 ARG 26 -4.182 -20.285 -9.696 179 HH22 ARG 26 2HH1 ARG 26 -4.392 -21.556 -8.539 180 H GLU 27 H GLU 27 0.881 -17.239 -2.950 181 HA GLU 27 HA GLU 27 3.078 -15.440 -2.645 182 HB2 GLU 27 1HB GLU 27 2.343 -17.970 -1.152 183 HB3 GLU 27 2HB GLU 27 3.630 -16.876 -0.646 184 HG2 GLU 27 1HG GLU 27 2.033 -15.031 -0.458 185 HG3 GLU 27 2HG GLU 27 0.736 -16.066 -1.052 186 H GLY 28 H GLY 28 5.230 -15.665 -3.032 187 HA2 GLY 28 1HA GLY 28 6.885 -17.828 -3.172 188 HA3 GLY 28 2HA GLY 28 6.084 -17.890 -4.744 189 H ASP 29 H ASP 29 5.985 -15.555 -5.779 190 HA ASP 29 HA ASP 29 8.715 -14.769 -6.284 191 HB2 ASP 29 1HB ASP 29 6.054 -13.599 -7.098 192 HB3 ASP 29 2HB ASP 29 7.591 -12.914 -7.621 193 H ASP 30 H ASP 30 8.753 -12.078 -6.490 194 HA ASP 30 HA ASP 30 9.195 -11.248 -3.745 195 HB2 ASP 30 1HB ASP 30 9.410 -9.818 -6.402 196 HB3 ASP 30 2HB ASP 30 9.781 -9.039 -4.863 197 H VAL 31 H VAL 31 7.216 -11.182 -2.713 198 HA VAL 31 HA VAL 31 5.300 -9.079 -3.652 199 HB VAL 31 HB VAL 31 4.466 -11.490 -3.795 200 HG11 VAL 31 1HG1 VAL 31 3.928 -12.656 -1.789 201 HG12 VAL 31 2HG1 VAL 31 4.240 -11.238 -0.788 202 HG13 VAL 31 3HG1 VAL 31 5.582 -12.089 -1.555 203 HG21 VAL 31 3HG2 VAL 31 2.880 -9.700 -3.819 204 HG22 VAL 31 1HG2 VAL 31 3.106 -9.386 -2.098 205 HG23 VAL 31 2HG2 VAL 31 2.288 -10.857 -2.625 206 H ALA 32 H ALA 32 4.509 -7.697 -2.111 207 HA ALA 32 HA ALA 32 5.797 -7.844 0.598 208 HB1 ALA 32 3HB ALA 32 6.134 -5.544 0.546 209 HB2 ALA 32 1HB ALA 32 4.789 -5.264 -0.563 210 HB3 ALA 32 2HB ALA 32 6.305 -5.927 -1.166 211 H GLU 33 H GLU 33 4.515 -7.085 2.361 212 HA GLU 33 HA GLU 33 1.567 -7.358 1.901 213 HB2 GLU 33 1HB GLU 33 3.288 -7.852 4.340 214 HB3 GLU 33 2HB GLU 33 1.525 -7.861 4.378 215 HG2 GLU 33 1HG GLU 33 3.206 -9.616 2.569 216 HG3 GLU 33 2HG GLU 33 2.516 -10.146 4.102 217 H VAL 34 H VAL 34 0.253 -5.736 2.446 218 HA VAL 34 HA VAL 34 1.401 -3.358 3.875 219 HB VAL 34 HB VAL 34 -0.378 -3.428 1.425 220 HG11 VAL 34 1HG1 VAL 34 -0.228 -0.867 1.708 221 HG12 VAL 34 2HG1 VAL 34 0.245 -1.200 3.375 222 HG13 VAL 34 3HG1 VAL 34 -1.332 -1.722 2.786 223 HG21 VAL 34 3HG2 VAL 34 1.443 -2.043 0.482 224 HG22 VAL 34 1HG2 VAL 34 2.054 -3.603 1.035 225 HG23 VAL 34 2HG2 VAL 34 2.317 -2.157 2.010 226 H SER 35 H SER 35 0.187 -2.595 5.500 227 HA SER 35 HA SER 35 -2.682 -3.401 5.710 228 HB2 SER 35 1HB SER 35 -2.321 -3.802 8.154 229 HB3 SER 35 2HB SER 35 -1.478 -4.965 7.132 230 HG SER 35 HG SER 35 0.415 -3.997 7.573 231 H LEU 36 H LEU 36 -3.856 -1.598 5.966 232 HA LEU 36 HA LEU 36 -2.568 0.781 7.251 233 HB2 LEU 36 1HB LEU 36 -3.074 1.074 4.825 234 HB3 LEU 36 2HB LEU 36 -4.777 0.772 5.176 235 HG LEU 36 HG LEU 36 -4.775 2.708 6.743 236 HD11 LEU 36 1HD1 LEU 36 -2.682 4.291 6.289 237 HD12 LEU 36 2HD1 LEU 36 -1.876 2.757 5.956 238 HD13 LEU 36 3HD1 LEU 36 -2.615 3.045 7.531 239 HD21 LEU 36 3HD2 LEU 36 -5.465 3.021 4.405 240 HD22 LEU 36 1HD2 LEU 36 -3.791 3.341 3.947 241 HD23 LEU 36 2HD2 LEU 36 -4.644 4.459 5.012 242 H PHE 37 H PHE 37 -3.716 1.894 8.783 243 HA PHE 37 HA PHE 37 -6.179 0.549 9.820 244 HB2 PHE 37 1HB PHE 37 -4.106 2.316 11.134 245 HB3 PHE 37 2HB PHE 37 -5.613 1.847 11.922 246 HD1 PHE 37 HD1 PHE 37 -6.078 -0.511 12.459 247 HD2 PHE 37 HD2 PHE 37 -2.326 0.709 10.763 248 HE1 PHE 37 HE1 PHE 37 -5.085 -2.694 13.088 249 HE2 PHE 37 HE2 PHE 37 -1.331 -1.474 11.393 250 HZ PHE 37 HZ PHE 37 -2.711 -3.175 12.555 251 H GLY 38 H GLY 38 -8.013 1.748 10.247 252 HA2 GLY 38 1HA GLY 38 -8.162 4.616 10.112 253 HA3 GLY 38 2HA GLY 38 -8.678 3.908 8.580 254 H SER 39 H SER 39 -10.594 5.252 9.807 255 HA SER 39 HA SER 39 -12.136 3.593 11.665 256 HB2 SER 39 1HB SER 39 -13.841 5.412 11.401 257 HB3 SER 39 2HB SER 39 -12.258 6.015 11.884 258 HG SER 39 HG SER 39 -12.313 7.165 10.135 259 H ASP 40 H ASP 40 -13.755 5.168 9.001 260 HA ASP 40 HA ASP 40 -15.138 2.666 8.353 261 HB2 ASP 40 1HB ASP 40 -15.371 5.492 7.310 262 HB3 ASP 40 2HB ASP 40 -16.315 4.156 6.650 263 H LYS 41 H LYS 41 -15.427 2.090 5.993 264 HA LYS 41 HA LYS 41 -12.906 1.409 4.824 265 HB2 LYS 41 1HB LYS 41 -15.044 0.158 4.465 266 HB3 LYS 41 2HB LYS 41 -15.623 1.501 3.480 267 HG2 LYS 41 1HG LYS 41 -13.782 1.192 1.906 268 HG3 LYS 41 2HG LYS 41 -13.101 -0.085 2.915 269 HD2 LYS 41 1HD LYS 41 -15.152 -1.432 2.586 270 HD3 LYS 41 2HD LYS 41 -15.814 -0.162 1.555 271 HE2 LYS 41 1HE LYS 41 -13.191 -1.578 1.004 272 HE3 LYS 41 2HE LYS 41 -14.730 -2.050 0.283 273 HZ1 LYS 41 3HZ LYS 41 -12.986 -0.061 -0.572 274 HZ2 LYS 41 1HZ LYS 41 -14.376 0.726 -0.003 275 HZ3 LYS 41 2HZ LYS 41 -14.509 -0.458 -1.215 276 H ALA 42 H ALA 42 -15.215 3.994 4.106 277 HA ALA 42 HA ALA 42 -14.110 4.951 1.689 278 HB1 ALA 42 3HB ALA 42 -16.226 5.793 2.625 279 HB2 ALA 42 1HB ALA 42 -15.119 7.134 2.326 280 HB3 ALA 42 2HB ALA 42 -15.349 6.528 3.965 281 H HIS 43 H HIS 43 -13.159 5.623 5.033 282 HA HIS 43 HA HIS 43 -11.202 7.640 4.414 283 HB2 HIS 43 1HB HIS 43 -12.154 7.254 6.688 284 HB3 HIS 43 2HB HIS 43 -11.282 5.724 6.762 285 HD1 HIS 43 HD1 HIS 43 -10.632 9.448 6.478 286 HD2 HIS 43 HD2 HIS 43 -8.595 5.961 7.491 287 HE1 HIS 43 HE1 HIS 43 -8.369 10.169 7.354 288 H LEU 44 H LEU 44 -10.944 4.131 4.938 289 HA LEU 44 HA LEU 44 -8.102 3.957 4.589 290 HB2 LEU 44 1HB LEU 44 -10.318 1.934 4.182 291 HB3 LEU 44 2HB LEU 44 -8.606 1.522 4.084 292 HG LEU 44 HG LEU 44 -9.854 2.860 6.500 293 HD11 LEU 44 1HD1 LEU 44 -10.855 0.599 6.028 294 HD12 LEU 44 2HD1 LEU 44 -9.976 0.685 7.555 295 HD13 LEU 44 3HD1 LEU 44 -9.235 -0.086 6.155 296 HD21 LEU 44 3HD2 LEU 44 -7.158 1.658 5.859 297 HD22 LEU 44 1HD2 LEU 44 -7.736 1.668 7.526 298 HD23 LEU 44 2HD2 LEU 44 -7.530 3.185 6.658 299 H GLU 45 H GLU 45 -10.790 3.640 2.322 300 HA GLU 45 HA GLU 45 -9.236 2.905 0.036 301 HB2 GLU 45 1HB GLU 45 -11.884 4.359 0.302 302 HB3 GLU 45 2HB GLU 45 -11.230 3.819 -1.243 303 HG2 GLU 45 1HG GLU 45 -11.723 1.981 1.117 304 HG3 GLU 45 2HG GLU 45 -12.869 2.209 -0.206 305 H GLY 46 H GLY 46 -10.170 6.030 1.389 306 HA2 GLY 46 1HA GLY 46 -9.311 7.720 -0.720 307 HA3 GLY 46 2HA GLY 46 -9.348 8.182 0.981 308 H LYS 47 H LYS 47 -7.494 6.749 2.193 309 HA LYS 47 HA LYS 47 -5.001 7.876 1.302 310 HB2 LYS 47 1HB LYS 47 -5.672 5.757 3.352 311 HB3 LYS 47 2HB LYS 47 -4.025 6.327 3.077 312 HG2 LYS 47 1HG LYS 47 -4.763 8.645 3.559 313 HG3 LYS 47 2HG LYS 47 -6.394 8.049 3.870 314 HD2 LYS 47 1HD LYS 47 -5.600 6.703 5.737 315 HD3 LYS 47 2HD LYS 47 -3.927 7.136 5.379 316 HE2 LYS 47 1HE LYS 47 -5.011 8.462 7.259 317 HE3 LYS 47 2HE LYS 47 -4.301 9.430 5.967 318 HZ1 LYS 47 3HZ LYS 47 -7.134 8.632 5.851 319 HZ2 LYS 47 1HZ LYS 47 -6.362 9.943 5.102 320 HZ3 LYS 47 2HZ LYS 47 -6.660 9.977 6.774 321 H LEU 48 H LEU 48 -6.452 4.673 1.000 322 HA LEU 48 HA LEU 48 -4.290 3.169 0.084 323 HB2 LEU 48 1HB LEU 48 -6.615 2.293 0.411 324 HB3 LEU 48 2HB LEU 48 -7.097 3.114 -1.073 325 HG LEU 48 HG LEU 48 -5.392 1.786 -2.326 326 HD11 LEU 48 1HD1 LEU 48 -4.870 0.732 0.440 327 HD12 LEU 48 2HD1 LEU 48 -3.727 1.128 -0.840 328 HD13 LEU 48 3HD1 LEU 48 -4.667 -0.359 -0.932 329 HD21 LEU 48 3HD2 LEU 48 -6.596 -0.443 -2.052 330 HD22 LEU 48 1HD2 LEU 48 -7.636 0.943 -2.374 331 HD23 LEU 48 2HD2 LEU 48 -7.502 0.302 -0.735 332 H ALA 49 H ALA 49 -6.208 5.548 -1.663 333 HA ALA 49 HA ALA 49 -5.306 5.091 -4.299 334 HB1 ALA 49 3HB ALA 49 -6.009 7.326 -4.771 335 HB2 ALA 49 1HB ALA 49 -5.688 7.848 -3.116 336 HB3 ALA 49 2HB ALA 49 -7.052 6.784 -3.454 337 H GLU 50 H GLU 50 -3.778 6.932 -1.675 338 HA GLU 50 HA GLU 50 -1.580 7.941 -3.238 339 HB2 GLU 50 1HB GLU 50 -1.871 7.429 -0.263 340 HB3 GLU 50 2HB GLU 50 -0.495 8.267 -0.981 341 HG2 GLU 50 1HG GLU 50 -1.986 9.979 -1.901 342 HG3 GLU 50 2HG GLU 50 -3.390 9.126 -1.261 343 H TYR 51 H TYR 51 -2.017 5.018 -1.289 344 HA TYR 51 HA TYR 51 0.667 4.055 -1.399 345 HB2 TYR 51 1HB TYR 51 -2.016 2.703 -1.111 346 HB3 TYR 51 2HB TYR 51 -0.526 1.762 -1.147 347 HD1 TYR 51 HD1 TYR 51 -1.822 4.892 0.494 348 HD2 TYR 51 HD2 TYR 51 0.418 1.253 0.929 349 HE1 TYR 51 HE1 TYR 51 -1.454 5.407 2.886 350 HE2 TYR 51 HE2 TYR 51 0.786 1.772 3.322 351 HH TYR 51 HH TYR 51 -0.389 4.813 4.747 352 H ILE 52 H ILE 52 -2.110 3.388 -3.520 353 HA ILE 52 HA ILE 52 -0.679 1.660 -5.310 354 HB ILE 52 HB ILE 52 -3.170 3.336 -5.717 355 HG12 ILE 52 1HG1 ILE 52 -2.862 0.348 -5.320 356 HG13 ILE 52 2HG1 ILE 52 -3.180 1.468 -3.996 357 HG21 ILE 52 1HG2 ILE 52 -1.788 1.313 -7.487 358 HG22 ILE 52 2HG2 ILE 52 -2.359 2.926 -7.907 359 HG23 ILE 52 3HG2 ILE 52 -3.519 1.629 -7.626 360 HD11 ILE 52 3HD1 ILE 52 -4.927 1.123 -6.451 361 HD12 ILE 52 1HD1 ILE 52 -5.247 2.215 -5.105 362 HD13 ILE 52 2HD1 ILE 52 -5.277 0.470 -4.851 363 H SER 53 H SER 53 -1.377 5.143 -5.396 364 HA SER 53 HA SER 53 -0.276 5.698 -7.954 365 HB2 SER 53 1HB SER 53 -0.031 8.017 -7.132 366 HB3 SER 53 2HB SER 53 -1.590 7.342 -6.664 367 HG SER 53 HG SER 53 0.454 8.209 -5.118 368 H LEU 54 H LEU 54 1.255 5.608 -4.761 369 HA LEU 54 HA LEU 54 3.880 6.376 -5.638 370 HB2 LEU 54 1HB LEU 54 2.926 4.746 -3.269 371 HB3 LEU 54 2HB LEU 54 4.607 5.229 -3.488 372 HG LEU 54 HG LEU 54 2.309 7.204 -3.464 373 HD11 LEU 54 1HD1 LEU 54 3.174 7.724 -1.117 374 HD12 LEU 54 2HD1 LEU 54 4.028 6.183 -1.193 375 HD13 LEU 54 3HD1 LEU 54 2.267 6.221 -1.289 376 HD21 LEU 54 3HD2 LEU 54 4.370 8.687 -2.729 377 HD22 LEU 54 1HD2 LEU 54 4.143 8.304 -4.433 378 HD23 LEU 54 2HD2 LEU 54 5.320 7.404 -3.478 379 H ALA 55 H ALA 55 2.271 3.257 -5.301 380 HA ALA 55 HA ALA 55 4.486 1.562 -5.822 381 HB1 ALA 55 3HB ALA 55 2.865 -0.131 -6.303 382 HB2 ALA 55 1HB ALA 55 1.672 1.063 -6.813 383 HB3 ALA 55 2HB ALA 55 2.103 0.920 -5.111 384 H LYS 56 H LYS 56 2.218 3.147 -8.053 385 HA LYS 56 HA LYS 56 3.291 2.007 -10.462 386 HB2 LYS 56 1HB LYS 56 1.803 4.583 -9.913 387 HB3 LYS 56 2HB LYS 56 2.227 4.048 -11.539 388 HG2 LYS 56 1HG LYS 56 1.019 1.884 -11.046 389 HG3 LYS 56 2HG LYS 56 0.459 2.610 -9.540 390 HD2 LYS 56 1HD LYS 56 0.012 3.940 -12.217 391 HD3 LYS 56 2HD LYS 56 -1.128 2.768 -11.562 392 HE2 LYS 56 1HE LYS 56 -1.221 4.207 -9.468 393 HE3 LYS 56 2HE LYS 56 -0.320 5.429 -10.366 394 HZ1 LYS 56 3HZ LYS 56 -3.004 5.168 -10.350 395 HZ2 LYS 56 1HZ LYS 56 -2.586 4.368 -11.786 396 HZ3 LYS 56 2HZ LYS 56 -2.111 5.981 -11.543 397 H GLN 57 H GLN 57 3.939 5.052 -8.771 398 HA GLN 57 HA GLN 57 5.889 6.062 -10.611 399 HB2 GLN 57 1HB GLN 57 5.587 6.515 -7.626 400 HB3 GLN 57 2HB GLN 57 6.623 7.476 -8.681 401 HG2 GLN 57 1HG GLN 57 3.628 7.153 -9.039 402 HG3 GLN 57 2HG GLN 57 4.399 8.544 -8.275 403 HE21 GLN 57 2HE2 GLN 57 2.991 7.841 -11.097 404 HE22 GLN 57 1HE2 GLN 57 3.976 8.704 -12.178 405 H VAL 58 H VAL 58 6.230 4.104 -7.658 406 HA VAL 58 HA VAL 58 9.101 3.969 -7.719 407 HB VAL 58 HB VAL 58 7.024 2.110 -6.526 408 HG11 VAL 58 1HG1 VAL 58 8.985 0.777 -6.759 409 HG12 VAL 58 2HG1 VAL 58 9.034 1.379 -5.103 410 HG13 VAL 58 3HG1 VAL 58 10.043 2.125 -6.341 411 HG21 VAL 58 3HG2 VAL 58 7.448 3.268 -4.480 412 HG22 VAL 58 1HG2 VAL 58 7.265 4.524 -5.704 413 HG23 VAL 58 2HG2 VAL 58 8.874 4.066 -5.145 414 H TYR 59 H TYR 59 6.579 1.785 -8.976 415 HA TYR 59 HA TYR 59 8.585 0.714 -10.908 416 HB2 TYR 59 1HB TYR 59 8.477 -0.857 -8.990 417 HB3 TYR 59 2HB TYR 59 6.742 -1.033 -9.254 418 HD1 TYR 59 HD1 TYR 59 10.073 -1.479 -10.869 419 HD2 TYR 59 HD2 TYR 59 5.906 -2.507 -10.920 420 HE1 TYR 59 HE1 TYR 59 10.518 -3.197 -12.599 421 HE2 TYR 59 HE2 TYR 59 6.349 -4.229 -12.651 422 HH TYR 59 HH TYR 59 7.878 -5.003 -14.121 423 H ALA 60 H ALA 60 7.760 0.970 -12.864 424 HA ALA 60 HA ALA 60 5.010 1.648 -13.364 425 HB1 ALA 60 3HB ALA 60 6.699 2.468 -14.865 426 HB2 ALA 60 1HB ALA 60 5.686 1.352 -15.783 427 HB3 ALA 60 2HB ALA 60 7.268 0.834 -15.202 428 H ASN 61 H ASN 61 3.391 0.452 -14.351 429 HA ASN 61 HA ASN 61 2.085 -1.430 -14.757 430 HB2 ASN 61 1HB ASN 61 3.963 -1.735 -16.481 431 HB3 ASN 61 2HB ASN 61 4.653 -2.911 -15.360 432 HD21 ASN 61 2HD2 ASN 61 1.675 -2.196 -17.234 433 HD22 ASN 61 1HD2 ASN 61 1.146 -3.808 -17.304 434 H VAL 62 H VAL 62 2.835 -0.954 -12.096 435 HA VAL 62 HA VAL 62 3.765 -3.404 -10.842 436 HB VAL 62 HB VAL 62 4.053 -1.180 -9.781 437 HG11 VAL 62 1HG1 VAL 62 1.787 -0.316 -10.522 438 HG12 VAL 62 2HG1 VAL 62 2.181 -0.000 -8.833 439 HG13 VAL 62 3HG1 VAL 62 1.072 -1.305 -9.249 440 HG21 VAL 62 3HG2 VAL 62 3.605 -1.930 -7.561 441 HG22 VAL 62 1HG2 VAL 62 3.896 -3.392 -8.500 442 HG23 VAL 62 2HG2 VAL 62 2.247 -2.922 -8.092 443 H GLU 63 H GLU 63 2.582 -5.036 -9.955 444 HA GLU 63 HA GLU 63 -0.369 -5.017 -10.497 445 HB2 GLU 63 1HB GLU 63 1.576 -7.325 -10.193 446 HB3 GLU 63 2HB GLU 63 -0.161 -7.494 -10.451 447 HG2 GLU 63 1HG GLU 63 0.684 -7.668 -12.636 448 HG3 GLU 63 2HG GLU 63 0.247 -5.963 -12.540 449 H TYR 64 H TYR 64 -1.752 -5.338 -8.827 450 HA TYR 64 HA TYR 64 -0.729 -6.298 -6.216 451 HB2 TYR 64 1HB TYR 64 -1.651 -4.359 -5.016 452 HB3 TYR 64 2HB TYR 64 -0.393 -3.859 -6.144 453 HD1 TYR 64 HD1 TYR 64 -0.950 -2.646 -8.205 454 HD2 TYR 64 HD2 TYR 64 -4.004 -3.825 -5.421 455 HE1 TYR 64 HE1 TYR 64 -2.551 -1.105 -9.308 456 HE2 TYR 64 HE2 TYR 64 -5.605 -2.285 -6.528 457 HH TYR 64 HH TYR 64 -4.911 0.146 -8.275 458 H GLU 65 H GLU 65 -2.507 -6.662 -4.678 459 HA GLU 65 HA GLU 65 -5.217 -6.911 -5.887 460 HB2 GLU 65 1HB GLU 65 -4.062 -9.095 -6.225 461 HB3 GLU 65 2HB GLU 65 -3.779 -9.189 -4.486 462 HG2 GLU 65 1HG GLU 65 -6.207 -9.136 -4.074 463 HG3 GLU 65 2HG GLU 65 -6.505 -9.003 -5.805 464 H VAL 66 H VAL 66 -6.873 -6.850 -4.324 465 HA VAL 66 HA VAL 66 -6.002 -6.229 -1.521 466 HB VAL 66 HB VAL 66 -8.320 -5.073 -3.080 467 HG11 VAL 66 1HG1 VAL 66 -9.008 -5.209 -0.810 468 HG12 VAL 66 2HG1 VAL 66 -8.386 -3.568 -0.985 469 HG13 VAL 66 3HG1 VAL 66 -7.398 -4.808 -0.211 470 HG21 VAL 66 3HG2 VAL 66 -6.190 -4.121 -3.787 471 HG22 VAL 66 1HG2 VAL 66 -5.690 -3.903 -2.110 472 HG23 VAL 66 2HG2 VAL 66 -7.017 -2.945 -2.766 473 H ALA 67 H ALA 67 -6.848 -7.456 0.030 474 HA ALA 67 HA ALA 67 -8.631 -9.627 -0.661 475 HB1 ALA 67 3HB ALA 67 -7.342 -8.673 1.884 476 HB2 ALA 67 1HB ALA 67 -7.096 -10.192 1.027 477 HB3 ALA 67 2HB ALA 67 -8.583 -9.926 1.938 478 HA PRO 68 HA PRO 68 -12.697 -7.953 -0.038 479 HB2 PRO 68 1HB PRO 68 -12.945 -9.987 2.165 480 HB3 PRO 68 2HB PRO 68 -14.081 -9.606 0.854 481 HG2 PRO 68 1HG PRO 68 -12.498 -11.755 0.741 482 HG3 PRO 68 2HG PRO 68 -12.897 -10.814 -0.707 483 HD2 PRO 68 1HD PRO 68 -10.314 -10.976 0.759 484 HD3 PRO 68 2HD PRO 68 -10.637 -10.538 -0.932 485 H VAL 69 H VAL 69 -13.320 -6.166 1.072 486 HA VAL 69 HA VAL 69 -12.443 -5.832 3.923 487 HB VAL 69 HB VAL 69 -12.599 -3.713 1.765 488 HG11 VAL 69 1HG1 VAL 69 -13.256 -2.731 3.853 489 HG12 VAL 69 2HG1 VAL 69 -11.559 -2.312 3.624 490 HG13 VAL 69 3HG1 VAL 69 -12.005 -3.609 4.731 491 HG21 VAL 69 3HG2 VAL 69 -10.580 -4.886 1.401 492 HG22 VAL 69 1HG2 VAL 69 -10.331 -5.181 3.122 493 HG23 VAL 69 2HG2 VAL 69 -10.089 -3.565 2.460 494 H ALA 70 H ALA 70 -14.029 -5.374 5.302 495 HA ALA 70 HA ALA 70 -16.790 -5.229 4.383 496 HB1 ALA 70 3HB ALA 70 -15.862 -4.689 7.203 497 HB2 ALA 70 1HB ALA 70 -15.880 -6.323 6.545 498 HB3 ALA 70 2HB ALA 70 -17.380 -5.406 6.664 499 H ASP 71 H ASP 71 -18.242 -3.475 4.872 500 HA ASP 71 HA ASP 71 -17.247 -0.886 4.172 501 HB2 ASP 71 1HB ASP 71 -19.589 -1.581 3.793 502 HB3 ASP 71 2HB ASP 71 -19.847 -1.644 5.537 503 H ASN 72 H ASN 72 -18.015 -2.374 7.290 504 HA ASN 72 HA ASN 72 -17.247 0.118 8.720 505 HB2 ASN 72 1HB ASN 72 -18.369 -2.538 9.660 506 HB3 ASN 72 2HB ASN 72 -17.914 -1.234 10.757 507 HD21 ASN 72 2HD2 ASN 72 -18.888 0.639 8.364 508 HD22 ASN 72 1HD2 ASN 72 -20.562 0.700 8.626 509 H ALA 73 H ALA 73 -15.493 -2.055 7.234 510 HA ALA 73 HA ALA 73 -13.810 -3.290 9.171 511 HB1 ALA 73 3HB ALA 73 -13.220 -2.344 6.356 512 HB2 ALA 73 1HB ALA 73 -13.667 -3.972 6.859 513 HB3 ALA 73 2HB ALA 73 -12.097 -3.309 7.315 514 H THR 74 H THR 74 -11.991 -2.604 10.236 515 HA THR 74 HA THR 74 -11.442 0.335 10.207 516 HB THR 74 HB THR 74 -10.291 -0.226 12.420 517 HG1 THR 74 HG1 THR 74 -11.835 -2.501 12.594 518 HG21 THR 74 3HG2 THR 74 -12.435 0.825 12.483 519 HG22 THR 74 1HG2 THR 74 -12.529 -0.541 13.596 520 HG23 THR 74 2HG2 THR 74 -13.251 -0.659 11.992 521 H GLU 75 H GLU 75 -10.293 -2.442 8.854 522 HA GLU 75 HA GLU 75 -7.584 -1.255 8.546 523 HB2 GLU 75 1HB GLU 75 -7.389 -2.901 10.397 524 HB3 GLU 75 2HB GLU 75 -8.019 -4.153 9.326 525 HG2 GLU 75 1HG GLU 75 -6.127 -3.839 7.796 526 HG3 GLU 75 2HG GLU 75 -5.514 -2.525 8.799 527 H LEU 76 H LEU 76 -6.563 -1.868 6.624 528 HA LEU 76 HA LEU 76 -8.244 -3.409 4.673 529 HB2 LEU 76 1HB LEU 76 -8.288 -0.980 4.238 530 HB3 LEU 76 2HB LEU 76 -6.530 -0.971 4.129 531 HG LEU 76 HG LEU 76 -7.840 -3.008 2.395 532 HD11 LEU 76 1HD1 LEU 76 -8.256 -0.050 1.894 533 HD12 LEU 76 2HD1 LEU 76 -9.506 -1.271 2.122 534 HD13 LEU 76 3HD1 LEU 76 -8.492 -1.307 0.680 535 HD21 LEU 76 3HD2 LEU 76 -6.213 -2.118 0.763 536 HD22 LEU 76 1HD2 LEU 76 -5.429 -2.490 2.300 537 HD23 LEU 76 2HD2 LEU 76 -5.805 -0.820 1.883 538 H HIS 77 H HIS 77 -7.206 -5.057 3.727 539 HA HIS 77 HA HIS 77 -4.244 -5.292 4.104 540 HB2 HIS 77 1HB HIS 77 -6.359 -7.406 3.611 541 HB3 HIS 77 2HB HIS 77 -4.629 -7.727 3.736 542 HD1 HIS 77 HD1 HIS 77 -3.555 -6.614 6.087 543 HD2 HIS 77 HD2 HIS 77 -7.598 -7.629 6.068 544 HE1 HIS 77 HE1 HIS 77 -4.259 -6.794 8.514 545 H ALA 78 H ALA 78 -2.975 -5.269 2.356 546 HA ALA 78 HA ALA 78 -4.073 -5.946 -0.311 547 HB1 ALA 78 3HB ALA 78 -2.630 -3.342 0.238 548 HB2 ALA 78 1HB ALA 78 -4.370 -3.480 -0.012 549 HB3 ALA 78 2HB ALA 78 -3.255 -3.886 -1.319 550 H ARG 79 H ARG 79 -2.386 -6.353 -1.872 551 HA ARG 79 HA ARG 79 0.334 -6.777 -0.679 552 HB2 ARG 79 1HB ARG 79 -1.279 -8.671 -2.407 553 HB3 ARG 79 2HB ARG 79 0.438 -8.878 -2.064 554 HG2 ARG 79 1HG ARG 79 -0.039 -8.956 0.347 555 HG3 ARG 79 2HG ARG 79 -1.758 -8.726 0.023 556 HD2 ARG 79 1HD ARG 79 -1.800 -10.831 -1.263 557 HD3 ARG 79 2HD ARG 79 -0.079 -11.055 -0.953 558 HE ARG 79 HE ARG 79 -0.590 -11.656 1.297 559 HH11 ARG 79 1HH2 ARG 79 -3.348 -10.491 -0.437 560 HH12 ARG 79 2HH2 ARG 79 -4.477 -11.021 0.763 561 HH21 ARG 79 1HH1 ARG 79 -2.057 -12.348 2.854 562 HH22 ARG 79 2HH1 ARG 79 -3.750 -12.067 2.621 563 H PHE 80 H PHE 80 2.044 -6.440 -2.077 564 HA PHE 80 HA PHE 80 1.397 -5.451 -4.834 565 HB2 PHE 80 1HB PHE 80 3.289 -4.239 -2.800 566 HB3 PHE 80 2HB PHE 80 3.244 -3.778 -4.502 567 HD1 PHE 80 HD2 PHE 80 1.371 -3.761 -1.315 568 HD2 PHE 80 HD1 PHE 80 1.404 -2.504 -5.421 569 HE1 PHE 80 HE2 PHE 80 -0.524 -2.227 -0.860 570 HE2 PHE 80 HE1 PHE 80 -0.492 -0.973 -4.969 571 HZ PHE 80 HZ PHE 80 -1.456 -0.833 -2.688 572 H LYS 81 H LYS 81 2.905 -5.965 -6.398 573 HA LYS 81 HA LYS 81 5.077 -7.854 -5.574 574 HB2 LYS 81 1HB LYS 81 3.025 -8.667 -6.991 575 HB3 LYS 81 2HB LYS 81 3.835 -7.832 -8.315 576 HG2 LYS 81 1HG LYS 81 5.832 -9.180 -8.014 577 HG3 LYS 81 2HG LYS 81 5.161 -9.926 -6.566 578 HD2 LYS 81 1HD LYS 81 4.875 -11.468 -8.404 579 HD3 LYS 81 2HD LYS 81 3.291 -10.831 -7.964 580 HE2 LYS 81 1HE LYS 81 3.184 -9.443 -9.861 581 HE3 LYS 81 2HE LYS 81 4.925 -9.510 -10.127 582 HZ1 LYS 81 3HZ LYS 81 4.370 -11.052 -11.630 583 HZ2 LYS 81 1HZ LYS 81 2.858 -11.362 -10.929 584 HZ3 LYS 81 2HZ LYS 81 4.253 -12.092 -10.291 585 H PHE 82 H PHE 82 7.043 -7.087 -5.890 586 HA PHE 82 HA PHE 82 7.476 -4.959 -7.961 587 HB2 PHE 82 1HB PHE 82 8.852 -5.538 -5.334 588 HB3 PHE 82 2HB PHE 82 9.562 -4.481 -6.557 589 HD1 PHE 82 HD2 PHE 82 8.428 -2.394 -7.233 590 HD2 PHE 82 HD1 PHE 82 6.907 -4.848 -4.054 591 HE1 PHE 82 HE2 PHE 82 6.987 -0.523 -6.480 592 HE2 PHE 82 HE1 PHE 82 5.464 -2.975 -3.301 593 HZ PHE 82 HZ PHE 82 5.502 -0.815 -4.520 594 H GLU 83 H GLU 83 9.257 -5.140 -9.322 595 HA GLU 83 HA GLU 83 9.973 -7.780 -10.170 596 HB2 GLU 83 1HB GLU 83 10.006 -5.763 -11.645 597 HB3 GLU 83 2HB GLU 83 11.397 -5.163 -10.742 598 HG2 GLU 83 1HG GLU 83 12.695 -7.146 -11.378 599 HG3 GLU 83 2HG GLU 83 11.301 -7.801 -12.235 600 H VAL 84 H VAL 84 11.485 -5.480 -7.975 601 HA VAL 84 HA VAL 84 13.489 -7.590 -7.265 602 HB VAL 84 HB VAL 84 15.196 -5.811 -6.976 603 HG11 VAL 84 1HG1 VAL 84 13.954 -5.995 -9.735 604 HG12 VAL 84 2HG1 VAL 84 15.124 -7.120 -9.048 605 HG13 VAL 84 3HG1 VAL 84 15.598 -5.458 -9.395 606 HG21 VAL 84 3HG2 VAL 84 13.753 -3.878 -6.656 607 HG22 VAL 84 1HG2 VAL 84 13.048 -4.089 -8.259 608 HG23 VAL 84 2HG2 VAL 84 14.737 -3.609 -8.093 609 H SER 85 H SER 85 14.289 -7.434 -5.109 610 HA SER 85 HA SER 85 12.276 -6.719 -3.166 611 HB2 SER 85 1HB SER 85 13.995 -7.419 -1.517 612 HB3 SER 85 2HB SER 85 13.826 -8.599 -2.814 613 HG SER 85 HG SER 85 16.034 -7.723 -2.118 614 H ALA 86 H ALA 86 15.007 -5.071 -4.533 615 HA ALA 86 HA ALA 86 15.569 -3.189 -2.480 616 HB1 ALA 86 3HB ALA 86 16.616 -1.868 -4.196 617 HB2 ALA 86 1HB ALA 86 15.603 -2.590 -5.446 618 HB3 ALA 86 2HB ALA 86 16.850 -3.556 -4.658 619 H GLU 87 H GLU 87 13.245 -3.014 -5.170 620 HA GLU 87 HA GLU 87 12.197 -0.421 -4.421 621 HB2 GLU 87 1HB GLU 87 11.061 -2.649 -6.136 622 HB3 GLU 87 2HB GLU 87 10.306 -1.065 -5.963 623 HG2 GLU 87 1HG GLU 87 12.295 0.022 -6.869 624 HG3 GLU 87 2HG GLU 87 13.135 -1.525 -6.952 625 H LYS 88 H LYS 88 11.426 -3.738 -3.612 626 HA LYS 88 HA LYS 88 8.866 -3.313 -2.436 627 HB2 LYS 88 1HB LYS 88 9.732 -5.548 -2.937 628 HB3 LYS 88 2HB LYS 88 11.018 -5.330 -1.751 629 HG2 LYS 88 1HG LYS 88 8.297 -4.860 -0.657 630 HG3 LYS 88 2HG LYS 88 8.573 -6.514 -1.200 631 HD2 LYS 88 1HD LYS 88 10.577 -6.662 0.203 632 HD3 LYS 88 2HD LYS 88 10.361 -4.991 0.719 633 HE2 LYS 88 1HE LYS 88 8.187 -5.569 1.711 634 HE3 LYS 88 2HE LYS 88 8.389 -7.242 1.187 635 HZ1 LYS 88 3HZ LYS 88 9.228 -7.387 3.278 636 HZ2 LYS 88 1HZ LYS 88 9.763 -5.778 3.312 637 HZ3 LYS 88 2HZ LYS 88 10.653 -6.948 2.462 638 H LEU 89 H LEU 89 12.112 -3.312 -0.974 639 HA LEU 89 HA LEU 89 11.250 -2.723 1.699 640 HB2 LEU 89 1HB LEU 89 13.857 -2.151 0.261 641 HB3 LEU 89 2HB LEU 89 13.628 -1.923 1.993 642 HG LEU 89 HG LEU 89 13.179 -4.556 0.556 643 HD11 LEU 89 1HD1 LEU 89 15.343 -5.251 1.465 644 HD12 LEU 89 2HD1 LEU 89 15.564 -3.668 2.207 645 HD13 LEU 89 3HD1 LEU 89 15.554 -3.825 0.450 646 HD21 LEU 89 3HD2 LEU 89 13.566 -5.304 3.072 647 HD22 LEU 89 1HD2 LEU 89 11.982 -4.731 2.559 648 HD23 LEU 89 2HD2 LEU 89 13.066 -3.649 3.430 649 H ILE 90 H ILE 90 12.289 -0.654 -0.978 650 HA ILE 90 HA ILE 90 12.116 1.827 0.455 651 HB ILE 90 HB ILE 90 11.907 1.201 -2.507 652 HG12 ILE 90 1HG1 ILE 90 14.182 2.430 -0.927 653 HG13 ILE 90 2HG1 ILE 90 14.071 0.704 -1.269 654 HG21 ILE 90 1HG2 ILE 90 10.853 3.325 -2.221 655 HG22 ILE 90 2HG2 ILE 90 12.509 3.681 -2.712 656 HG23 ILE 90 3HG2 ILE 90 12.040 3.831 -1.019 657 HD11 ILE 90 3HD1 ILE 90 13.943 2.781 -3.464 658 HD12 ILE 90 1HD1 ILE 90 14.251 1.051 -3.619 659 HD13 ILE 90 2HD1 ILE 90 15.471 2.105 -2.903 660 H PHE 91 H PHE 91 9.804 0.092 -1.599 661 HA PHE 91 HA PHE 91 7.726 2.041 -1.554 662 HB2 PHE 91 1HB PHE 91 7.714 0.137 -3.099 663 HB3 PHE 91 2HB PHE 91 7.548 -0.979 -1.745 664 HD1 PHE 91 HD1 PHE 91 5.895 2.055 -3.205 665 HD2 PHE 91 HD2 PHE 91 5.395 -1.664 -1.113 666 HE1 PHE 91 HE1 PHE 91 3.433 2.334 -3.298 667 HE2 PHE 91 HE2 PHE 91 2.933 -1.382 -1.204 668 HZ PHE 91 HZ PHE 91 1.951 0.616 -2.296 669 H GLU 92 H GLU 92 8.335 -0.736 0.590 670 HA GLU 92 HA GLU 92 6.032 -0.312 2.255 671 HB2 GLU 92 1HB GLU 92 7.436 -2.419 2.156 672 HB3 GLU 92 2HB GLU 92 8.673 -1.556 3.068 673 HG2 GLU 92 1HG GLU 92 7.358 -2.801 4.655 674 HG3 GLU 92 2HG GLU 92 6.930 -1.100 4.837 675 H LEU 93 H LEU 93 9.431 0.701 2.584 676 HA LEU 93 HA LEU 93 9.110 2.070 5.084 677 HB2 LEU 93 1HB LEU 93 11.084 2.439 2.818 678 HB3 LEU 93 2HB LEU 93 11.218 3.285 4.357 679 HG LEU 93 HG LEU 93 11.069 0.265 4.127 680 HD11 LEU 93 1HD1 LEU 93 13.562 0.391 4.602 681 HD12 LEU 93 2HD1 LEU 93 13.471 2.108 4.210 682 HD13 LEU 93 3HD1 LEU 93 13.082 0.902 2.983 683 HD21 LEU 93 3HD2 LEU 93 10.546 0.800 6.353 684 HD22 LEU 93 1HD2 LEU 93 11.580 2.229 6.363 685 HD23 LEU 93 2HD2 LEU 93 12.295 0.618 6.440 686 H LYS 94 H LYS 94 8.925 3.197 1.728 687 HA LYS 94 HA LYS 94 8.479 5.964 2.366 688 HB2 LYS 94 1HB LYS 94 9.183 5.124 0.125 689 HB3 LYS 94 2HB LYS 94 7.574 4.436 -0.090 690 HG2 LYS 94 1HG LYS 94 6.584 6.697 0.180 691 HG3 LYS 94 2HG LYS 94 8.202 7.373 0.345 692 HD2 LYS 94 1HD LYS 94 7.391 5.753 -2.073 693 HD3 LYS 94 2HD LYS 94 7.119 7.491 -1.988 694 HE2 LYS 94 1HE LYS 94 9.615 7.708 -1.441 695 HE3 LYS 94 2HE LYS 94 9.761 6.021 -1.926 696 HZ1 LYS 94 3HZ LYS 94 9.594 8.313 -3.547 697 HZ2 LYS 94 1HZ LYS 94 8.271 7.304 -3.881 698 HZ3 LYS 94 2HZ LYS 94 9.855 6.699 -4.007 699 H THR 95 H THR 95 6.250 3.283 1.662 700 HA THR 95 HA THR 95 3.844 4.845 1.862 701 HB THR 95 HB THR 95 2.776 2.570 2.270 702 HG1 THR 95 HG1 THR 95 5.478 1.772 1.961 703 HG21 THR 95 3HG2 THR 95 3.532 1.681 -0.003 704 HG22 THR 95 1HG2 THR 95 4.621 3.068 -0.067 705 HG23 THR 95 2HG2 THR 95 2.876 3.318 0.020 706 H ARG 96 H ARG 96 5.621 2.865 4.203 707 HA ARG 96 HA ARG 96 3.804 3.252 6.391 708 HB2 ARG 96 1HB ARG 96 6.754 2.588 6.272 709 HB3 ARG 96 2HB ARG 96 5.840 2.610 7.780 710 HG2 ARG 96 1HG ARG 96 4.817 0.986 5.455 711 HG3 ARG 96 2HG ARG 96 6.123 0.348 6.450 712 HD2 ARG 96 1HD ARG 96 3.420 1.263 7.486 713 HD3 ARG 96 2HD ARG 96 3.933 -0.414 7.289 714 HE ARG 96 HE ARG 96 4.793 1.411 9.416 715 HH11 ARG 96 1HH2 ARG 96 5.405 -1.462 7.591 716 HH12 ARG 96 2HH2 ARG 96 6.412 -2.168 8.810 717 HH21 ARG 96 1HH1 ARG 96 6.097 0.500 10.997 718 HH22 ARG 96 2HH1 ARG 96 6.805 -1.059 10.734 719 H ALA 97 H ALA 97 6.651 5.019 5.281 720 HA ALA 97 HA ALA 97 6.840 6.836 7.491 721 HB1 ALA 97 3HB ALA 97 7.611 7.232 4.584 722 HB2 ALA 97 1HB ALA 97 8.649 6.547 5.832 723 HB3 ALA 97 2HB ALA 97 8.155 8.239 5.926 724 H LEU 98 H LEU 98 5.011 6.918 4.474 725 HA LEU 98 HA LEU 98 4.061 9.608 4.685 726 HB2 LEU 98 1HB LEU 98 3.910 8.261 2.625 727 HB3 LEU 98 2HB LEU 98 2.760 7.184 3.413 728 HG LEU 98 HG LEU 98 2.010 10.067 3.535 729 HD11 LEU 98 1HD1 LEU 98 2.202 8.592 0.902 730 HD12 LEU 98 2HD1 LEU 98 2.860 10.177 1.310 731 HD13 LEU 98 3HD1 LEU 98 1.116 9.960 1.153 732 HD21 LEU 98 3HD2 LEU 98 0.634 7.962 4.191 733 HD22 LEU 98 1HD2 LEU 98 0.382 7.754 2.459 734 HD23 LEU 98 2HD2 LEU 98 -0.185 9.217 3.263 735 H ALA 99 H ALA 99 2.736 6.526 5.824 736 HA ALA 99 HA ALA 99 0.352 7.723 6.980 737 HB1 ALA 99 3HB ALA 99 0.209 5.415 6.371 738 HB2 ALA 99 1HB ALA 99 0.226 5.436 8.136 739 HB3 ALA 99 2HB ALA 99 1.689 5.026 7.244 740 H ARG 100 H ARG 100 3.471 6.606 8.262 741 HA ARG 100 HA ARG 100 2.873 7.119 11.024 742 HB2 ARG 100 1HB ARG 100 4.733 5.660 10.319 743 HB3 ARG 100 2HB ARG 100 5.557 7.051 9.619 744 HG2 ARG 100 1HG ARG 100 5.862 8.074 11.754 745 HG3 ARG 100 2HG ARG 100 4.741 6.958 12.528 746 HD2 ARG 100 1HD ARG 100 7.322 6.055 11.219 747 HD3 ARG 100 2HD ARG 100 7.198 6.455 12.932 748 HE ARG 100 HE ARG 100 5.153 4.615 12.498 749 HH11 ARG 100 1HH2 ARG 100 8.575 4.741 12.021 750 HH12 ARG 100 2HH2 ARG 100 8.795 3.040 12.261 751 HH21 ARG 100 1HH1 ARG 100 5.437 2.406 12.818 752 HH22 ARG 100 2HH1 ARG 100 7.024 1.723 12.711 753 H LEU 101 H LEU 101 4.380 9.093 8.506 754 HA LEU 101 HA LEU 101 4.832 11.389 8.422 755 HB2 LEU 101 1HB LEU 101 2.672 11.500 10.547 756 HB3 LEU 101 2HB LEU 101 3.263 12.867 9.609 757 HG LEU 101 HG LEU 101 2.042 10.382 8.380 758 HD11 LEU 101 1HD1 LEU 101 0.291 11.428 9.612 759 HD12 LEU 101 2HD1 LEU 101 0.094 11.975 7.947 760 HD13 LEU 101 3HD1 LEU 101 0.827 13.042 9.145 761 HD21 LEU 101 3HD2 LEU 101 3.012 13.038 7.312 762 HD22 LEU 101 1HD2 LEU 101 1.751 12.147 6.459 763 HD23 LEU 101 2HD2 LEU 101 3.335 11.415 6.699 764 H GLU 102 H GLU 102 5.011 13.374 10.236 765 HA GLU 102 HA GLU 102 7.144 12.381 12.084 766 HB2 GLU 102 1HB GLU 102 7.641 14.136 10.276 767 HB3 GLU 102 2HB GLU 102 6.667 15.245 11.241 768 HG2 GLU 102 1HG GLU 102 8.938 15.569 11.938 769 HG3 GLU 102 2HG GLU 102 8.157 14.637 13.216 770 H HIS 103 H HIS 103 4.727 11.875 13.084 771 HA HIS 103 HA HIS 103 3.321 12.240 14.907 772 HB2 HIS 103 1HB HIS 103 5.623 14.025 15.745 773 HB3 HIS 103 2HB HIS 103 4.304 13.518 16.799 774 HD1 HIS 103 HD1 HIS 103 4.015 10.784 16.971 775 HD2 HIS 103 HD2 HIS 103 7.710 12.203 15.656 776 HE1 HIS 103 HE1 HIS 103 5.659 8.880 17.262 777 H HIS 104 H HIS 104 1.477 13.298 14.704 778 HA HIS 104 HA HIS 104 1.149 15.790 13.352 779 HB2 HIS 104 1HB HIS 104 -0.655 14.341 15.311 780 HB3 HIS 104 2HB HIS 104 -1.161 15.722 14.340 781 HD1 HIS 104 HD1 HIS 104 -2.735 13.296 13.736 782 HD2 HIS 104 HD2 HIS 104 0.960 13.949 11.919 783 HE1 HIS 104 HE1 HIS 104 -2.712 11.890 11.630 784 H HIS 105 H HIS 105 1.108 14.980 16.813 785 HA HIS 105 HA HIS 105 1.069 16.406 18.693 786 HB2 HIS 105 1HB HIS 105 3.461 16.188 18.101 787 HB3 HIS 105 2HB HIS 105 3.335 17.628 17.090 788 HD1 HIS 105 HD1 HIS 105 2.561 16.659 20.709 789 HD2 HIS 105 HD2 HIS 105 3.919 19.923 18.500 790 HE1 HIS 105 HE1 HIS 105 3.077 18.491 22.381 791 H HIS 106 H HIS 106 -0.971 17.430 18.288 792 HA HIS 106 HA HIS 106 -0.696 20.333 17.828 793 HB2 HIS 106 1HB HIS 106 -1.173 19.220 15.578 794 HB3 HIS 106 2HB HIS 106 -2.743 18.765 16.241 795 HD1 HIS 106 HD1 HIS 106 -4.338 20.770 16.970 796 HD2 HIS 106 HD2 HIS 106 -0.954 21.906 14.819 797 HE1 HIS 106 HE1 HIS 106 -4.741 23.150 16.206 798 H HIS 107 H HIS 107 -2.094 21.440 19.109 799 HA HIS 107 HA HIS 107 -4.599 20.230 20.054 800 HB2 HIS 107 1HB HIS 107 -4.044 20.443 22.438 801 HB3 HIS 107 2HB HIS 107 -2.914 19.344 21.654 802 HD1 HIS 107 HD1 HIS 107 -0.500 20.367 21.066 803 HD2 HIS 107 HD2 HIS 107 -2.858 22.681 23.612 804 HE1 HIS 107 HE1 HIS 107 1.055 22.043 22.162 805 H HIS 108 H HIS 108 -2.668 22.850 19.218 806 HA HIS 108 HA HIS 108 -4.173 24.906 20.702 807 HB2 HIS 108 1HB HIS 108 -1.774 25.227 20.199 808 HB3 HIS 108 2HB HIS 108 -2.125 25.144 18.475 809 HD1 HIS 108 HD1 HIS 108 -3.165 27.239 21.496 810 HD2 HIS 108 HD2 HIS 108 -2.669 27.618 17.373 811 HE1 HIS 108 HE1 HIS 108 -3.566 29.680 20.946 Start of MODEL 14 1 H1 MET 1 1H MET 1 -3.816 -3.824 29.900 2 H2 MET 1 2H MET 1 -4.706 -2.531 30.552 3 H3 MET 1 3H MET 1 -3.011 -2.441 30.462 4 HA MET 1 HA MET 1 -3.548 -1.188 28.651 5 HB2 MET 1 1HB MET 1 -3.628 -4.053 27.646 6 HB3 MET 1 2HB MET 1 -3.355 -2.639 26.631 7 HG2 MET 1 1HG MET 1 -1.608 -3.450 28.971 8 HG3 MET 1 2HG MET 1 -1.227 -3.760 27.280 9 HE1 MET 1 3HE MET 1 -0.433 -0.623 25.643 10 HE2 MET 1 1HE MET 1 -2.185 -0.749 25.838 11 HE3 MET 1 2HE MET 1 -1.221 -2.196 25.555 12 H SER 2 H SER 2 -5.184 -3.348 26.731 13 HA SER 2 HA SER 2 -7.909 -2.709 27.628 14 HB2 SER 2 1HB SER 2 -7.154 -0.668 26.359 15 HB3 SER 2 2HB SER 2 -6.930 -1.691 24.943 16 HG SER 2 HG SER 2 -9.366 -1.743 26.344 17 H ASN 3 H ASN 3 -6.455 -5.130 27.253 18 HA ASN 3 HA ASN 3 -6.478 -7.168 26.073 19 HB2 ASN 3 1HB ASN 3 -8.809 -7.930 25.565 20 HB3 ASN 3 2HB ASN 3 -8.632 -7.267 27.188 21 HD21 ASN 3 2HD2 ASN 3 -10.133 -5.681 27.748 22 HD22 ASN 3 1HD2 ASN 3 -11.046 -4.777 26.639 23 H GLN 4 H GLN 4 -5.564 -5.100 24.432 24 HA GLN 4 HA GLN 4 -6.911 -4.802 21.944 25 HB2 GLN 4 1HB GLN 4 -3.959 -4.761 22.625 26 HB3 GLN 4 2HB GLN 4 -4.606 -4.281 21.056 27 HG2 GLN 4 1HG GLN 4 -5.963 -2.537 22.131 28 HG3 GLN 4 2HG GLN 4 -5.359 -3.029 23.715 29 HE21 GLN 4 2HE2 GLN 4 -3.929 -1.384 24.340 30 HE22 GLN 4 1HE2 GLN 4 -2.680 -0.775 23.365 31 H THR 5 H THR 5 -3.982 -6.018 21.014 32 HA THR 5 HA THR 5 -3.504 -7.799 19.546 33 HB THR 5 HB THR 5 -3.549 -9.965 20.677 34 HG1 THR 5 HG1 THR 5 -4.684 -9.016 22.971 35 HG21 THR 5 3HG2 THR 5 -2.922 -7.703 22.594 36 HG22 THR 5 1HG2 THR 5 -1.844 -8.283 21.324 37 HG23 THR 5 2HG2 THR 5 -2.271 -9.340 22.670 38 H CYS 6 H CYS 6 -4.669 -10.300 19.250 39 HA CYS 6 HA CYS 6 -6.957 -9.623 17.564 40 HB2 CYS 6 1HB CYS 6 -5.228 -11.310 16.919 41 HB3 CYS 6 2HB CYS 6 -5.798 -12.345 18.229 42 HG CYS 6 HG CYS 6 -7.729 -13.026 16.836 43 H VAL 7 H VAL 7 -9.096 -10.003 18.007 44 HA VAL 7 HA VAL 7 -9.832 -10.630 20.767 45 HB VAL 7 HB VAL 7 -12.130 -10.201 20.000 46 HG11 VAL 7 1HG1 VAL 7 -10.280 -8.202 18.682 47 HG12 VAL 7 2HG1 VAL 7 -10.431 -8.333 20.435 48 HG13 VAL 7 3HG1 VAL 7 -11.832 -7.892 19.459 49 HG21 VAL 7 3HG2 VAL 7 -10.800 -10.274 17.280 50 HG22 VAL 7 1HG2 VAL 7 -12.358 -9.493 17.541 51 HG23 VAL 7 2HG2 VAL 7 -12.179 -11.221 17.838 52 H GLU 8 H GLU 8 -10.537 -12.579 21.527 53 HA GLU 8 HA GLU 8 -10.194 -14.957 19.946 54 HB2 GLU 8 1HB GLU 8 -9.964 -14.917 22.414 55 HB3 GLU 8 2HB GLU 8 -11.691 -14.595 22.559 56 HG2 GLU 8 1HG GLU 8 -12.216 -16.725 21.483 57 HG3 GLU 8 2HG GLU 8 -10.498 -17.041 21.222 58 H ASN 9 H ASN 9 -11.620 -15.931 18.584 59 HA ASN 9 HA ASN 9 -14.356 -14.796 18.362 60 HB2 ASN 9 1HB ASN 9 -14.471 -16.049 16.257 61 HB3 ASN 9 2HB ASN 9 -12.996 -15.085 16.313 62 HD21 ASN 9 2HD2 ASN 9 -13.264 -17.458 14.674 63 HD22 ASN 9 1HD2 ASN 9 -12.178 -18.619 15.267 64 H GLU 10 H GLU 10 -15.983 -15.766 19.431 65 HA GLU 10 HA GLU 10 -15.693 -18.610 20.290 66 HB2 GLU 10 1HB GLU 10 -16.328 -16.911 21.998 67 HB3 GLU 10 2HB GLU 10 -17.772 -16.534 21.058 68 HG2 GLU 10 1HG GLU 10 -18.570 -18.843 21.316 69 HG3 GLU 10 2HG GLU 10 -17.106 -19.262 22.206 70 H VAL 11 H VAL 11 -17.378 -16.567 18.071 71 HA VAL 11 HA VAL 11 -19.255 -18.802 17.350 72 HB VAL 11 HB VAL 11 -20.588 -17.005 16.228 73 HG11 VAL 11 1HG1 VAL 11 -19.978 -16.732 19.181 74 HG12 VAL 11 2HG1 VAL 11 -21.254 -17.694 18.435 75 HG13 VAL 11 3HG1 VAL 11 -21.340 -15.934 18.392 76 HG21 VAL 11 3HG2 VAL 11 -20.035 -14.635 16.984 77 HG22 VAL 11 1HG2 VAL 11 -18.922 -15.319 15.800 78 HG23 VAL 11 2HG2 VAL 11 -18.466 -15.246 17.501 79 H CYS 12 H CYS 12 -18.931 -19.758 15.422 80 HA CYS 12 HA CYS 12 -17.546 -18.282 13.241 81 HB2 CYS 12 1HB CYS 12 -16.668 -21.038 14.147 82 HB3 CYS 12 2HB CYS 12 -15.937 -20.051 12.881 83 HG CYS 12 HG CYS 12 -15.864 -19.217 15.901 84 H GLU 13 H GLU 13 -19.224 -18.385 11.810 85 HA GLU 13 HA GLU 13 -20.858 -20.813 11.552 86 HB2 GLU 13 1HB GLU 13 -20.817 -18.190 10.033 87 HB3 GLU 13 2HB GLU 13 -21.957 -19.495 9.705 88 HG2 GLU 13 1HG GLU 13 -22.812 -19.372 11.992 89 HG3 GLU 13 2HG GLU 13 -21.618 -18.140 12.398 90 H ALA 14 H ALA 14 -17.843 -19.943 10.501 91 HA ALA 14 HA ALA 14 -16.430 -20.744 8.809 92 HB1 ALA 14 3HB ALA 14 -17.375 -22.914 9.810 93 HB2 ALA 14 1HB ALA 14 -16.724 -23.021 8.176 94 HB3 ALA 14 2HB ALA 14 -18.468 -22.948 8.427 95 H CYS 15 H CYS 15 -18.380 -18.794 8.064 96 HA CYS 15 HA CYS 15 -19.540 -19.636 5.496 97 HB2 CYS 15 1HB CYS 15 -20.853 -18.070 6.733 98 HB3 CYS 15 2HB CYS 15 -19.464 -17.023 7.019 99 HG CYS 15 HG CYS 15 -20.268 -15.836 4.990 100 H GLY 16 H GLY 16 -18.577 -19.339 3.529 101 HA2 GLY 16 1HA GLY 16 -16.770 -17.229 2.866 102 HA3 GLY 16 2HA GLY 16 -15.826 -18.667 3.265 103 H CYS 17 H CYS 17 -15.608 -20.224 1.708 104 HA CYS 17 HA CYS 17 -15.717 -21.194 -0.426 105 HB2 CYS 17 1HB CYS 17 -17.944 -21.808 0.713 106 HB3 CYS 17 2HB CYS 17 -18.669 -20.587 -0.334 107 HG CYS 17 HG CYS 17 -17.595 -23.316 -1.243 108 H ALA 18 H ALA 18 -16.980 -20.817 -2.701 109 HA ALA 18 HA ALA 18 -16.812 -19.456 -4.617 110 HB1 ALA 18 3HB ALA 18 -18.366 -17.661 -4.612 111 HB2 ALA 18 1HB ALA 18 -18.137 -17.357 -2.890 112 HB3 ALA 18 2HB ALA 18 -19.002 -18.798 -3.424 113 H GLY 19 H GLY 19 -14.383 -19.429 -3.698 114 HA2 GLY 19 1HA GLY 19 -13.363 -16.952 -2.650 115 HA3 GLY 19 2HA GLY 19 -12.398 -18.192 -3.454 116 H GLU 20 H GLU 20 -12.376 -15.216 -3.742 117 HA GLU 20 HA GLU 20 -13.513 -14.487 -6.280 118 HB2 GLU 20 1HB GLU 20 -12.755 -12.871 -4.517 119 HB3 GLU 20 2HB GLU 20 -11.089 -13.300 -4.901 120 HG2 GLU 20 1HG GLU 20 -11.619 -11.289 -6.123 121 HG3 GLU 20 2HG GLU 20 -11.554 -12.608 -7.291 122 H ILE 21 H ILE 21 -12.636 -14.542 -8.334 123 HA ILE 21 HA ILE 21 -10.676 -16.543 -8.956 124 HB ILE 21 HB ILE 21 -11.782 -14.237 -10.578 125 HG12 ILE 21 1HG1 ILE 21 -12.381 -17.205 -10.724 126 HG13 ILE 21 2HG1 ILE 21 -13.344 -16.068 -9.782 127 HG21 ILE 21 1HG2 ILE 21 -10.953 -15.666 -12.534 128 HG22 ILE 21 2HG2 ILE 21 -9.976 -16.537 -11.353 129 HG23 ILE 21 3HG2 ILE 21 -9.711 -14.814 -11.619 130 HD11 ILE 21 3HD1 ILE 21 -12.949 -16.138 -12.776 131 HD12 ILE 21 1HD1 ILE 21 -13.581 -14.714 -11.952 132 HD13 ILE 21 2HD1 ILE 21 -14.463 -16.237 -11.875 133 H GLY 22 H GLY 22 -10.483 -12.982 -8.802 134 HA2 GLY 22 1HA GLY 22 -7.587 -13.057 -9.385 135 HA3 GLY 22 2HA GLY 22 -8.556 -11.609 -9.131 136 H PHE 23 H PHE 23 -6.535 -13.956 -7.623 137 HA PHE 23 HA PHE 23 -6.079 -12.294 -5.328 138 HB2 PHE 23 1HB PHE 23 -8.297 -13.095 -4.632 139 HB3 PHE 23 2HB PHE 23 -7.778 -14.765 -4.858 140 HD1 PHE 23 HD2 PHE 23 -6.971 -11.637 -2.977 141 HD2 PHE 23 HD1 PHE 23 -6.676 -15.921 -3.115 142 HE1 PHE 23 HE2 PHE 23 -6.025 -11.647 -0.683 143 HE2 PHE 23 HE1 PHE 23 -5.731 -15.930 -0.824 144 HZ PHE 23 HZ PHE 23 -5.404 -13.793 0.392 145 H ILE 24 H ILE 24 -6.033 -15.555 -6.684 146 HA ILE 24 HA ILE 24 -3.801 -16.490 -5.110 147 HB ILE 24 HB ILE 24 -5.442 -17.959 -6.338 148 HG12 ILE 24 1HG1 ILE 24 -2.563 -18.423 -7.169 149 HG13 ILE 24 2HG1 ILE 24 -3.161 -18.712 -5.535 150 HG21 ILE 24 1HG2 ILE 24 -3.796 -17.348 -8.794 151 HG22 ILE 24 2HG2 ILE 24 -5.293 -16.488 -8.444 152 HG23 ILE 24 3HG2 ILE 24 -5.314 -18.234 -8.689 153 HD11 ILE 24 3HD1 ILE 24 -3.228 -20.806 -6.777 154 HD12 ILE 24 1HD1 ILE 24 -4.142 -20.042 -8.077 155 HD13 ILE 24 2HD1 ILE 24 -4.881 -20.260 -6.491 156 H ILE 25 H ILE 25 -4.099 -14.896 -8.264 157 HA ILE 25 HA ILE 25 -2.454 -14.062 -9.722 158 HB ILE 25 HB ILE 25 -1.093 -13.549 -7.051 159 HG12 ILE 25 1HG1 ILE 25 -2.760 -11.684 -8.769 160 HG13 ILE 25 2HG1 ILE 25 -3.425 -12.601 -7.417 161 HG21 ILE 25 1HG2 ILE 25 0.639 -13.126 -8.561 162 HG22 ILE 25 2HG2 ILE 25 -0.171 -11.564 -8.597 163 HG23 ILE 25 3HG2 ILE 25 -0.463 -12.735 -9.883 164 HD11 ILE 25 3HD1 ILE 25 -1.181 -10.565 -7.272 165 HD12 ILE 25 1HD1 ILE 25 -1.738 -11.542 -5.914 166 HD13 ILE 25 2HD1 ILE 25 -2.819 -10.360 -6.653 167 H ARG 26 H ARG 26 -2.170 -16.922 -8.376 168 HA ARG 26 HA ARG 26 -0.673 -18.717 -8.526 169 HB2 ARG 26 1HB ARG 26 0.059 -17.085 -10.974 170 HB3 ARG 26 2HB ARG 26 0.671 -18.714 -10.671 171 HG2 ARG 26 1HG ARG 26 -1.633 -19.579 -10.578 172 HG3 ARG 26 2HG ARG 26 -2.263 -17.955 -10.846 173 HD2 ARG 26 1HD ARG 26 -1.148 -17.876 -13.043 174 HD3 ARG 26 2HD ARG 26 -0.501 -19.495 -12.777 175 HE ARG 26 HE ARG 26 -3.319 -19.640 -12.471 176 HH11 ARG 26 1HH2 ARG 26 -0.905 -18.961 -14.835 177 HH12 ARG 26 2HH2 ARG 26 -1.855 -19.532 -16.165 178 HH21 ARG 26 1HH1 ARG 26 -4.579 -20.393 -14.199 179 HH22 ARG 26 2HH1 ARG 26 -3.933 -20.342 -15.805 180 H GLU 27 H GLU 27 0.189 -16.193 -7.065 181 HA GLU 27 HA GLU 27 2.112 -15.375 -5.999 182 HB2 GLU 27 1HB GLU 27 2.936 -18.233 -6.582 183 HB3 GLU 27 2HB GLU 27 3.871 -17.137 -5.562 184 HG2 GLU 27 1HG GLU 27 1.942 -16.839 -4.072 185 HG3 GLU 27 2HG GLU 27 0.965 -17.882 -5.104 186 H GLY 28 H GLY 28 2.313 -13.999 -7.993 187 HA2 GLY 28 1HA GLY 28 3.977 -14.577 -10.197 188 HA3 GLY 28 2HA GLY 28 3.708 -12.954 -9.564 189 H ASP 29 H ASP 29 6.120 -13.195 -10.509 190 HA ASP 29 HA ASP 29 8.112 -14.398 -8.829 191 HB2 ASP 29 1HB ASP 29 8.220 -12.181 -10.886 192 HB3 ASP 29 2HB ASP 29 9.661 -12.785 -10.065 193 H ASP 30 H ASP 30 8.623 -13.800 -6.811 194 HA ASP 30 HA ASP 30 8.865 -12.485 -4.886 195 HB2 ASP 30 1HB ASP 30 9.774 -10.611 -7.077 196 HB3 ASP 30 2HB ASP 30 9.895 -10.199 -5.365 197 H VAL 31 H VAL 31 6.925 -12.116 -3.949 198 HA VAL 31 HA VAL 31 5.391 -9.691 -4.805 199 HB VAL 31 HB VAL 31 4.280 -11.906 -5.423 200 HG11 VAL 31 1HG1 VAL 31 5.037 -12.988 -3.219 201 HG12 VAL 31 2HG1 VAL 31 3.365 -13.276 -3.701 202 HG13 VAL 31 3HG1 VAL 31 3.729 -12.084 -2.453 203 HG21 VAL 31 3HG2 VAL 31 2.967 -9.940 -3.531 204 HG22 VAL 31 1HG2 VAL 31 2.067 -11.172 -4.415 205 HG23 VAL 31 2HG2 VAL 31 2.940 -9.917 -5.294 206 H ALA 32 H ALA 32 4.780 -8.362 -3.137 207 HA ALA 32 HA ALA 32 5.595 -9.192 -0.363 208 HB1 ALA 32 3HB ALA 32 5.335 -6.355 -1.368 209 HB2 ALA 32 1HB ALA 32 6.834 -7.267 -1.527 210 HB3 ALA 32 2HB ALA 32 6.172 -6.934 0.072 211 H GLU 33 H GLU 33 4.220 -8.505 1.353 212 HA GLU 33 HA GLU 33 1.371 -8.143 0.523 213 HB2 GLU 33 1HB GLU 33 2.602 -9.079 3.134 214 HB3 GLU 33 2HB GLU 33 0.872 -8.925 2.835 215 HG2 GLU 33 1HG GLU 33 1.259 -11.196 2.372 216 HG3 GLU 33 2HG GLU 33 1.328 -10.468 0.772 217 H VAL 34 H VAL 34 0.151 -6.457 1.390 218 HA VAL 34 HA VAL 34 1.623 -4.386 2.996 219 HB VAL 34 HB VAL 34 -0.232 -4.033 0.631 220 HG11 VAL 34 1HG1 VAL 34 -0.988 -2.391 2.171 221 HG12 VAL 34 2HG1 VAL 34 0.175 -1.546 1.160 222 HG13 VAL 34 3HG1 VAL 34 0.642 -2.081 2.769 223 HG21 VAL 34 3HG2 VAL 34 2.544 -2.958 1.210 224 HG22 VAL 34 1HG2 VAL 34 1.663 -2.837 -0.312 225 HG23 VAL 34 2HG2 VAL 34 2.230 -4.407 0.256 226 H SER 35 H SER 35 0.545 -3.719 4.779 227 HA SER 35 HA SER 35 -2.371 -4.388 5.048 228 HB2 SER 35 1HB SER 35 -1.062 -6.013 6.355 229 HB3 SER 35 2HB SER 35 -0.195 -4.699 7.143 230 HG SER 35 HG SER 35 -2.135 -4.028 8.055 231 H LEU 36 H LEU 36 -3.565 -2.665 5.705 232 HA LEU 36 HA LEU 36 -2.145 -0.325 6.936 233 HB2 LEU 36 1HB LEU 36 -2.790 0.092 4.546 234 HB3 LEU 36 2HB LEU 36 -4.472 -0.188 4.995 235 HG LEU 36 HG LEU 36 -4.302 1.667 6.652 236 HD11 LEU 36 1HD1 LEU 36 -1.474 1.691 5.646 237 HD12 LEU 36 2HD1 LEU 36 -2.091 1.970 7.275 238 HD13 LEU 36 3HD1 LEU 36 -2.219 3.237 6.060 239 HD21 LEU 36 3HD2 LEU 36 -5.123 2.009 4.314 240 HD22 LEU 36 1HD2 LEU 36 -3.487 2.474 3.847 241 HD23 LEU 36 2HD2 LEU 36 -4.384 3.453 5.007 242 H PHE 37 H PHE 37 -3.032 0.354 8.797 243 HA PHE 37 HA PHE 37 -5.722 -0.727 9.595 244 HB2 PHE 37 1HB PHE 37 -3.273 -0.038 11.242 245 HB3 PHE 37 2HB PHE 37 -4.843 -0.442 11.939 246 HD1 PHE 37 HD2 PHE 37 -5.798 -2.685 11.688 247 HD2 PHE 37 HD1 PHE 37 -1.902 -1.727 10.159 248 HE1 PHE 37 HE2 PHE 37 -5.307 -5.100 11.429 249 HE2 PHE 37 HE1 PHE 37 -1.409 -4.144 9.898 250 HZ PHE 37 HZ PHE 37 -3.113 -5.831 10.533 251 H GLY 38 H GLY 38 -7.188 0.740 10.513 252 HA2 GLY 38 1HA GLY 38 -6.483 3.404 11.330 253 HA3 GLY 38 2HA GLY 38 -7.119 3.441 9.685 254 H SER 39 H SER 39 -8.630 4.792 11.348 255 HA SER 39 HA SER 39 -10.522 3.392 12.944 256 HB2 SER 39 1HB SER 39 -11.937 5.443 12.603 257 HB3 SER 39 2HB SER 39 -10.293 5.788 13.136 258 HG SER 39 HG SER 39 -10.094 5.705 10.580 259 H ASP 40 H ASP 40 -12.052 5.167 10.419 260 HA ASP 40 HA ASP 40 -13.776 2.913 9.781 261 HB2 ASP 40 1HB ASP 40 -14.537 5.295 9.847 262 HB3 ASP 40 2HB ASP 40 -13.581 5.596 8.395 263 H LYS 41 H LYS 41 -14.047 1.949 7.710 264 HA LYS 41 HA LYS 41 -11.622 1.271 6.357 265 HB2 LYS 41 1HB LYS 41 -13.700 -0.141 6.462 266 HB3 LYS 41 2HB LYS 41 -14.443 0.975 5.315 267 HG2 LYS 41 1HG LYS 41 -12.746 0.466 3.648 268 HG3 LYS 41 2HG LYS 41 -11.875 -0.550 4.801 269 HD2 LYS 41 1HD LYS 41 -13.871 -2.024 4.971 270 HD3 LYS 41 2HD LYS 41 -14.678 -1.036 3.754 271 HE2 LYS 41 1HE LYS 41 -12.033 -2.445 3.307 272 HE3 LYS 41 2HE LYS 41 -13.594 -3.096 2.811 273 HZ1 LYS 41 3HZ LYS 41 -13.841 -0.784 1.690 274 HZ2 LYS 41 1HZ LYS 41 -12.931 -1.995 0.927 275 HZ3 LYS 41 2HZ LYS 41 -12.145 -0.755 1.782 276 H ALA 42 H ALA 42 -14.156 3.629 5.662 277 HA ALA 42 HA ALA 42 -13.469 4.283 3.000 278 HB1 ALA 42 3HB ALA 42 -15.450 5.162 4.284 279 HB2 ALA 42 1HB ALA 42 -14.572 6.407 3.396 280 HB3 ALA 42 2HB ALA 42 -14.351 6.244 5.138 281 H HIS 43 H HIS 43 -12.073 5.415 6.052 282 HA HIS 43 HA HIS 43 -10.326 7.382 4.932 283 HB2 HIS 43 1HB HIS 43 -10.857 7.148 7.366 284 HB3 HIS 43 2HB HIS 43 -9.884 5.678 7.402 285 HD1 HIS 43 HD1 HIS 43 -7.969 6.529 8.831 286 HD2 HIS 43 HD2 HIS 43 -8.710 8.973 5.536 287 HE1 HIS 43 HE1 HIS 43 -6.060 8.186 8.726 288 H LEU 44 H LEU 44 -9.971 3.904 5.472 289 HA LEU 44 HA LEU 44 -7.201 3.692 4.826 290 HB2 LEU 44 1HB LEU 44 -9.350 1.655 4.201 291 HB3 LEU 44 2HB LEU 44 -7.637 1.346 4.489 292 HG LEU 44 HG LEU 44 -9.591 2.459 6.523 293 HD11 LEU 44 1HD1 LEU 44 -8.196 -0.205 6.450 294 HD12 LEU 44 2HD1 LEU 44 -9.815 0.011 5.818 295 HD13 LEU 44 3HD1 LEU 44 -9.498 0.275 7.537 296 HD21 LEU 44 3HD2 LEU 44 -6.626 1.848 6.577 297 HD22 LEU 44 1HD2 LEU 44 -7.582 1.831 8.057 298 HD23 LEU 44 2HD2 LEU 44 -7.450 3.313 7.112 299 H GLU 45 H GLU 45 -10.113 3.618 2.792 300 HA GLU 45 HA GLU 45 -8.794 2.990 0.333 301 HB2 GLU 45 1HB GLU 45 -11.335 4.547 0.899 302 HB3 GLU 45 2HB GLU 45 -10.819 4.072 -0.719 303 HG2 GLU 45 1HG GLU 45 -10.878 1.714 -0.086 304 HG3 GLU 45 2HG GLU 45 -11.294 2.145 1.573 305 H GLY 46 H GLY 46 -9.370 6.059 2.017 306 HA2 GLY 46 1HA GLY 46 -8.564 7.803 -0.094 307 HA3 GLY 46 2HA GLY 46 -8.462 8.191 1.623 308 H LYS 47 H LYS 47 -6.664 6.152 2.430 309 HA LYS 47 HA LYS 47 -4.156 7.333 1.507 310 HB2 LYS 47 1HB LYS 47 -4.811 5.085 3.412 311 HB3 LYS 47 2HB LYS 47 -3.153 5.549 3.033 312 HG2 LYS 47 1HG LYS 47 -3.624 7.849 3.787 313 HG3 LYS 47 2HG LYS 47 -5.282 7.383 4.171 314 HD2 LYS 47 1HD LYS 47 -4.492 5.781 5.829 315 HD3 LYS 47 2HD LYS 47 -2.815 6.120 5.397 316 HE2 LYS 47 1HE LYS 47 -3.103 8.464 6.109 317 HE3 LYS 47 2HE LYS 47 -4.777 8.125 6.544 318 HZ1 LYS 47 3HZ LYS 47 -3.509 7.957 8.511 319 HZ2 LYS 47 1HZ LYS 47 -2.324 7.000 7.766 320 HZ3 LYS 47 2HZ LYS 47 -3.873 6.362 8.051 321 H LEU 48 H LEU 48 -6.040 4.517 0.739 322 HA LEU 48 HA LEU 48 -4.011 2.880 -0.413 323 HB2 LEU 48 1HB LEU 48 -6.286 2.061 0.051 324 HB3 LEU 48 2HB LEU 48 -6.939 3.158 -1.163 325 HG LEU 48 HG LEU 48 -5.670 1.991 -2.922 326 HD11 LEU 48 1HD1 LEU 48 -4.668 -0.309 -2.124 327 HD12 LEU 48 2HD1 LEU 48 -4.566 0.487 -0.554 328 HD13 LEU 48 3HD1 LEU 48 -3.711 1.159 -1.943 329 HD21 LEU 48 3HD2 LEU 48 -7.075 0.106 -3.046 330 HD22 LEU 48 1HD2 LEU 48 -7.973 1.197 -1.992 331 HD23 LEU 48 2HD2 LEU 48 -7.057 -0.143 -1.302 332 H ALA 49 H ALA 49 -5.957 5.521 -1.756 333 HA ALA 49 HA ALA 49 -5.284 5.284 -4.479 334 HB1 ALA 49 3HB ALA 49 -5.665 7.772 -2.791 335 HB2 ALA 49 1HB ALA 49 -6.900 6.930 -3.729 336 HB3 ALA 49 2HB ALA 49 -5.593 7.779 -4.554 337 H GLU 50 H GLU 50 -3.441 6.860 -1.872 338 HA GLU 50 HA GLU 50 -1.327 7.798 -3.601 339 HB2 GLU 50 1HB GLU 50 -1.412 7.291 -0.611 340 HB3 GLU 50 2HB GLU 50 -0.055 8.049 -1.440 341 HG2 GLU 50 1HG GLU 50 -1.306 9.902 -0.724 342 HG3 GLU 50 2HG GLU 50 -1.853 9.697 -2.383 343 H TYR 51 H TYR 51 -1.714 4.912 -1.561 344 HA TYR 51 HA TYR 51 0.851 3.807 -1.798 345 HB2 TYR 51 1HB TYR 51 -1.911 2.628 -1.604 346 HB3 TYR 51 2HB TYR 51 -0.548 1.545 -1.876 347 HD1 TYR 51 HD1 TYR 51 -0.882 4.682 0.197 348 HD2 TYR 51 HD2 TYR 51 -0.070 0.463 0.138 349 HE1 TYR 51 HE1 TYR 51 -0.341 4.751 2.613 350 HE2 TYR 51 HE2 TYR 51 0.464 0.534 2.554 351 HH TYR 51 HH TYR 51 -0.309 3.161 4.534 352 H ILE 52 H ILE 52 -1.891 3.420 -4.041 353 HA ILE 52 HA ILE 52 -0.438 1.879 -5.972 354 HB ILE 52 HB ILE 52 -2.889 3.639 -6.240 355 HG12 ILE 52 1HG1 ILE 52 -2.667 0.621 -6.196 356 HG13 ILE 52 2HG1 ILE 52 -2.922 1.572 -4.733 357 HG21 ILE 52 1HG2 ILE 52 -2.017 3.445 -8.446 358 HG22 ILE 52 2HG2 ILE 52 -3.230 2.168 -8.327 359 HG23 ILE 52 3HG2 ILE 52 -1.516 1.774 -8.184 360 HD11 ILE 52 3HD1 ILE 52 -5.022 0.665 -5.929 361 HD12 ILE 52 1HD1 ILE 52 -4.706 1.901 -7.146 362 HD13 ILE 52 2HD1 ILE 52 -5.020 2.370 -5.476 363 H SER 53 H SER 53 -1.080 5.379 -5.713 364 HA SER 53 HA SER 53 0.078 6.165 -8.176 365 HB2 SER 53 1HB SER 53 -1.211 7.689 -6.724 366 HB3 SER 53 2HB SER 53 0.072 7.634 -5.519 367 HG SER 53 HG SER 53 0.834 9.261 -6.614 368 H LEU 54 H LEU 54 1.658 5.941 -4.961 369 HA LEU 54 HA LEU 54 4.261 6.654 -5.942 370 HB2 LEU 54 1HB LEU 54 3.222 5.289 -3.473 371 HB3 LEU 54 2HB LEU 54 4.955 5.267 -3.787 372 HG LEU 54 HG LEU 54 4.209 7.192 -2.353 373 HD11 LEU 54 1HD1 LEU 54 5.820 8.572 -3.217 374 HD12 LEU 54 2HD1 LEU 54 5.169 8.513 -4.853 375 HD13 LEU 54 3HD1 LEU 54 6.155 7.187 -4.249 376 HD21 LEU 54 3HD2 LEU 54 2.962 8.291 -4.880 377 HD22 LEU 54 1HD2 LEU 54 2.853 8.937 -3.243 378 HD23 LEU 54 2HD2 LEU 54 2.020 7.445 -3.657 379 H ALA 55 H ALA 55 2.630 3.533 -5.515 380 HA ALA 55 HA ALA 55 4.853 1.884 -6.227 381 HB1 ALA 55 3HB ALA 55 2.649 1.144 -5.188 382 HB2 ALA 55 1HB ALA 55 3.244 0.122 -6.495 383 HB3 ALA 55 2HB ALA 55 1.944 1.275 -6.799 384 H LYS 56 H LYS 56 2.405 3.535 -8.165 385 HA LYS 56 HA LYS 56 2.994 2.312 -10.678 386 HB2 LYS 56 1HB LYS 56 1.913 5.034 -9.920 387 HB3 LYS 56 2HB LYS 56 2.053 4.512 -11.598 388 HG2 LYS 56 1HG LYS 56 0.662 2.696 -9.636 389 HG3 LYS 56 2HG LYS 56 -0.205 4.106 -10.239 390 HD2 LYS 56 1HD LYS 56 0.211 3.381 -12.548 391 HD3 LYS 56 2HD LYS 56 1.087 1.971 -11.957 392 HE2 LYS 56 1HE LYS 56 -1.809 2.586 -11.303 393 HE3 LYS 56 2HE LYS 56 -1.289 1.459 -12.557 394 HZ1 LYS 56 3HZ LYS 56 -1.763 0.738 -10.045 395 HZ2 LYS 56 1HZ LYS 56 -0.106 1.080 -9.932 396 HZ3 LYS 56 2HZ LYS 56 -0.660 -0.071 -11.054 397 H GLN 57 H GLN 57 4.298 5.261 -9.160 398 HA GLN 57 HA GLN 57 6.078 5.870 -11.348 399 HB2 GLN 57 1HB GLN 57 5.392 7.558 -9.676 400 HB3 GLN 57 2HB GLN 57 6.264 6.669 -8.427 401 HG2 GLN 57 1HG GLN 57 8.376 7.034 -9.559 402 HG3 GLN 57 2HG GLN 57 7.552 7.762 -10.940 403 HE21 GLN 57 2HE2 GLN 57 9.534 9.203 -9.443 404 HE22 GLN 57 1HE2 GLN 57 8.763 10.487 -8.645 405 H VAL 58 H VAL 58 6.489 4.120 -8.283 406 HA VAL 58 HA VAL 58 9.300 3.649 -8.563 407 HB VAL 58 HB VAL 58 7.136 2.109 -7.103 408 HG11 VAL 58 1HG1 VAL 58 8.889 0.531 -7.438 409 HG12 VAL 58 2HG1 VAL 58 9.161 1.187 -5.823 410 HG13 VAL 58 3HG1 VAL 58 10.137 1.749 -7.180 411 HG21 VAL 58 3HG2 VAL 58 7.669 4.472 -6.394 412 HG22 VAL 58 1HG2 VAL 58 9.319 3.943 -6.073 413 HG23 VAL 58 2HG2 VAL 58 7.981 3.262 -5.147 414 H TYR 59 H TYR 59 6.467 1.689 -9.496 415 HA TYR 59 HA TYR 59 8.255 0.126 -11.339 416 HB2 TYR 59 1HB TYR 59 7.511 -1.179 -9.324 417 HB3 TYR 59 2HB TYR 59 5.845 -0.945 -9.850 418 HD1 TYR 59 HD2 TYR 59 9.097 -2.484 -10.715 419 HD2 TYR 59 HD1 TYR 59 4.939 -2.144 -11.735 420 HE1 TYR 59 HE2 TYR 59 9.323 -4.400 -12.274 421 HE2 TYR 59 HE1 TYR 59 5.168 -4.060 -13.294 422 HH TYR 59 HH TYR 59 6.500 -5.739 -13.952 423 H ALA 60 H ALA 60 7.530 -0.049 -13.396 424 HA ALA 60 HA ALA 60 5.669 1.674 -14.532 425 HB1 ALA 60 3HB ALA 60 6.615 -1.052 -15.414 426 HB2 ALA 60 1HB ALA 60 7.173 0.525 -15.971 427 HB3 ALA 60 2HB ALA 60 5.568 -0.050 -16.420 428 H ASN 61 H ASN 61 4.648 -1.495 -15.328 429 HA ASN 61 HA ASN 61 1.917 -0.853 -14.433 430 HB2 ASN 61 1HB ASN 61 3.087 -3.201 -15.957 431 HB3 ASN 61 2HB ASN 61 1.368 -3.021 -15.597 432 HD21 ASN 61 2HD2 ASN 61 3.299 -2.672 -18.160 433 HD22 ASN 61 1HD2 ASN 61 2.644 -1.282 -18.880 434 H VAL 62 H VAL 62 2.214 -0.971 -12.134 435 HA VAL 62 HA VAL 62 3.157 -3.468 -10.921 436 HB VAL 62 HB VAL 62 3.535 -1.245 -9.860 437 HG11 VAL 62 1HG1 VAL 62 1.296 -0.319 -10.564 438 HG12 VAL 62 2HG1 VAL 62 1.703 -0.026 -8.874 439 HG13 VAL 62 3HG1 VAL 62 0.560 -1.297 -9.296 440 HG21 VAL 62 3HG2 VAL 62 3.520 -3.298 -8.488 441 HG22 VAL 62 1HG2 VAL 62 1.779 -3.133 -8.259 442 HG23 VAL 62 2HG2 VAL 62 2.874 -1.930 -7.581 443 H GLU 63 H GLU 63 1.879 -5.107 -10.154 444 HA GLU 63 HA GLU 63 -1.082 -4.872 -10.594 445 HB2 GLU 63 1HB GLU 63 0.768 -7.272 -10.513 446 HB3 GLU 63 2HB GLU 63 -0.991 -7.394 -10.584 447 HG2 GLU 63 1HG GLU 63 -1.024 -6.145 -12.685 448 HG3 GLU 63 2HG GLU 63 0.723 -5.926 -12.608 449 H TYR 64 H TYR 64 -2.434 -5.175 -8.859 450 HA TYR 64 HA TYR 64 -1.412 -6.376 -6.367 451 HB2 TYR 64 1HB TYR 64 -2.058 -4.396 -5.009 452 HB3 TYR 64 2HB TYR 64 -0.737 -4.038 -6.119 453 HD1 TYR 64 HD1 TYR 64 -1.078 -2.638 -8.090 454 HD2 TYR 64 HD2 TYR 64 -4.306 -3.488 -5.386 455 HE1 TYR 64 HE1 TYR 64 -2.410 -0.811 -9.108 456 HE2 TYR 64 HE2 TYR 64 -5.640 -1.662 -6.406 457 HH TYR 64 HH TYR 64 -5.493 0.195 -7.740 458 H GLU 65 H GLU 65 -3.193 -6.595 -4.758 459 HA GLU 65 HA GLU 65 -5.932 -6.443 -5.951 460 HB2 GLU 65 1HB GLU 65 -4.668 -8.898 -4.691 461 HB3 GLU 65 2HB GLU 65 -6.386 -8.745 -5.053 462 HG2 GLU 65 1HG GLU 65 -4.169 -8.492 -7.107 463 HG3 GLU 65 2HG GLU 65 -5.130 -9.947 -6.846 464 H VAL 66 H VAL 66 -7.597 -6.406 -4.339 465 HA VAL 66 HA VAL 66 -6.633 -5.833 -1.549 466 HB VAL 66 HB VAL 66 -7.218 -3.711 -2.539 467 HG11 VAL 66 1HG1 VAL 66 -9.268 -3.288 -3.717 468 HG12 VAL 66 2HG1 VAL 66 -9.913 -4.873 -3.291 469 HG13 VAL 66 3HG1 VAL 66 -8.572 -4.742 -4.428 470 HG21 VAL 66 3HG2 VAL 66 -9.710 -4.530 -1.039 471 HG22 VAL 66 1HG2 VAL 66 -8.876 -2.976 -1.015 472 HG23 VAL 66 2HG2 VAL 66 -8.155 -4.377 -0.224 473 H ALA 67 H ALA 67 -7.623 -7.051 -0.033 474 HA ALA 67 HA ALA 67 -9.802 -8.860 -0.852 475 HB1 ALA 67 3HB ALA 67 -9.461 -9.849 1.398 476 HB2 ALA 67 1HB ALA 67 -8.292 -8.580 1.761 477 HB3 ALA 67 2HB ALA 67 -7.958 -9.749 0.484 478 HA PRO 68 HA PRO 68 -12.894 -5.775 0.534 479 HB2 PRO 68 1HB PRO 68 -14.485 -8.311 0.849 480 HB3 PRO 68 2HB PRO 68 -14.965 -6.769 0.110 481 HG2 PRO 68 1HG PRO 68 -14.309 -8.860 -1.392 482 HG3 PRO 68 2HG PRO 68 -13.840 -7.213 -1.858 483 HD2 PRO 68 1HD PRO 68 -12.134 -9.416 -0.781 484 HD3 PRO 68 2HD PRO 68 -11.700 -8.070 -1.859 485 H VAL 69 H VAL 69 -13.340 -5.004 2.572 486 HA VAL 69 HA VAL 69 -13.267 -6.897 4.890 487 HB VAL 69 HB VAL 69 -12.076 -4.128 5.066 488 HG11 VAL 69 1HG1 VAL 69 -12.598 -5.212 7.160 489 HG12 VAL 69 2HG1 VAL 69 -10.846 -5.231 6.955 490 HG13 VAL 69 3HG1 VAL 69 -11.791 -6.693 6.654 491 HG21 VAL 69 3HG2 VAL 69 -10.849 -6.637 3.938 492 HG22 VAL 69 1HG2 VAL 69 -9.835 -5.562 4.901 493 HG23 VAL 69 2HG2 VAL 69 -10.619 -4.958 3.441 494 H ALA 70 H ALA 70 -14.322 -5.980 6.840 495 HA ALA 70 HA ALA 70 -16.902 -4.910 6.250 496 HB1 ALA 70 3HB ALA 70 -15.921 -4.462 9.013 497 HB2 ALA 70 1HB ALA 70 -15.718 -6.112 8.430 498 HB3 ALA 70 2HB ALA 70 -17.321 -5.377 8.457 499 H ASP 71 H ASP 71 -17.750 -2.823 6.512 500 HA ASP 71 HA ASP 71 -15.948 -0.621 6.043 501 HB2 ASP 71 1HB ASP 71 -18.898 -0.751 6.699 502 HB3 ASP 71 2HB ASP 71 -18.056 0.761 6.353 503 H ASN 72 H ASN 72 -17.490 -1.969 8.870 504 HA ASN 72 HA ASN 72 -16.635 0.303 10.582 505 HB2 ASN 72 1HB ASN 72 -18.217 -2.224 11.116 506 HB3 ASN 72 2HB ASN 72 -17.773 -1.073 12.378 507 HD21 ASN 72 2HD2 ASN 72 -20.518 -1.568 11.716 508 HD22 ASN 72 1HD2 ASN 72 -21.157 -0.159 11.016 509 H ALA 73 H ALA 73 -15.120 -2.233 9.260 510 HA ALA 73 HA ALA 73 -13.767 -3.248 11.690 511 HB1 ALA 73 3HB ALA 73 -13.956 -4.971 10.126 512 HB2 ALA 73 1HB ALA 73 -12.320 -4.393 9.816 513 HB3 ALA 73 2HB ALA 73 -13.645 -3.891 8.767 514 H THR 74 H THR 74 -11.490 -2.987 11.979 515 HA THR 74 HA THR 74 -10.542 -0.321 11.331 516 HB THR 74 HB THR 74 -9.777 -1.113 13.425 517 HG1 THR 74 HG1 THR 74 -7.642 -1.989 11.818 518 HG21 THR 74 3HG2 THR 74 -8.570 -3.374 13.517 519 HG22 THR 74 1HG2 THR 74 -9.281 -3.683 11.934 520 HG23 THR 74 2HG2 THR 74 -10.322 -3.420 13.334 521 H GLU 75 H GLU 75 -10.595 -2.688 8.982 522 HA GLU 75 HA GLU 75 -7.976 -1.658 8.060 523 HB2 GLU 75 1HB GLU 75 -6.688 -3.280 8.897 524 HB3 GLU 75 2HB GLU 75 -8.120 -3.905 9.707 525 HG2 GLU 75 1HG GLU 75 -8.568 -5.303 7.640 526 HG3 GLU 75 2HG GLU 75 -7.000 -4.753 7.033 527 H LEU 76 H LEU 76 -6.983 -2.484 6.404 528 HA LEU 76 HA LEU 76 -8.533 -3.484 4.083 529 HB2 LEU 76 1HB LEU 76 -8.366 -0.937 4.239 530 HB3 LEU 76 2HB LEU 76 -6.623 -1.105 4.175 531 HG LEU 76 HG LEU 76 -8.401 -2.276 2.016 532 HD11 LEU 76 1HD1 LEU 76 -8.808 0.215 2.320 533 HD12 LEU 76 2HD1 LEU 76 -8.125 -0.206 0.755 534 HD13 LEU 76 3HD1 LEU 76 -7.091 0.471 2.011 535 HD21 LEU 76 3HD2 LEU 76 -6.197 -3.117 1.785 536 HD22 LEU 76 1HD2 LEU 76 -5.458 -1.609 2.318 537 HD23 LEU 76 2HD2 LEU 76 -6.185 -1.723 0.720 538 H HIS 77 H HIS 77 -7.149 -5.066 3.086 539 HA HIS 77 HA HIS 77 -4.200 -4.881 3.648 540 HB2 HIS 77 1HB HIS 77 -5.284 -6.626 5.125 541 HB3 HIS 77 2HB HIS 77 -5.801 -7.461 3.660 542 HD1 HIS 77 HD1 HIS 77 -2.533 -6.152 5.159 543 HD2 HIS 77 HD2 HIS 77 -3.922 -9.257 2.752 544 HE1 HIS 77 HE1 HIS 77 -0.534 -7.628 4.671 545 H ALA 78 H ALA 78 -3.005 -5.198 1.777 546 HA ALA 78 HA ALA 78 -4.367 -6.449 -0.576 547 HB1 ALA 78 3HB ALA 78 -3.068 -3.712 -0.520 548 HB2 ALA 78 1HB ALA 78 -4.742 -4.088 -0.921 549 HB3 ALA 78 2HB ALA 78 -3.442 -4.584 -2.008 550 H ARG 79 H ARG 79 -2.737 -6.842 -2.354 551 HA ARG 79 HA ARG 79 -0.002 -7.397 -1.229 552 HB2 ARG 79 1HB ARG 79 -1.676 -9.069 -3.128 553 HB3 ARG 79 2HB ARG 79 0.018 -9.388 -2.754 554 HG2 ARG 79 1HG ARG 79 -0.530 -9.658 -0.382 555 HG3 ARG 79 2HG ARG 79 -2.221 -9.279 -0.712 556 HD2 ARG 79 1HD ARG 79 -1.955 -11.700 -0.578 557 HD3 ARG 79 2HD ARG 79 -2.319 -11.249 -2.244 558 HE ARG 79 HE ARG 79 0.521 -11.313 -1.887 559 HH11 ARG 79 1HH2 ARG 79 -2.283 -13.317 -2.040 560 HH12 ARG 79 2HH2 ARG 79 -1.429 -14.688 -2.665 561 HH21 ARG 79 1HH1 ARG 79 1.650 -13.091 -2.702 562 HH22 ARG 79 2HH1 ARG 79 0.795 -14.560 -3.039 563 H PHE 80 H PHE 80 1.719 -7.070 -2.688 564 HA PHE 80 HA PHE 80 1.029 -5.758 -5.302 565 HB2 PHE 80 1HB PHE 80 2.991 -4.871 -3.174 566 HB3 PHE 80 2HB PHE 80 3.077 -4.298 -4.841 567 HD1 PHE 80 HD2 PHE 80 0.913 -4.450 -1.825 568 HD2 PHE 80 HD1 PHE 80 1.546 -2.680 -5.684 569 HE1 PHE 80 HE2 PHE 80 -0.876 -2.796 -1.358 570 HE2 PHE 80 HE1 PHE 80 -0.244 -1.029 -5.223 571 HZ PHE 80 HZ PHE 80 -1.456 -1.086 -3.060 572 H LYS 81 H LYS 81 2.561 -6.116 -6.965 573 HA LYS 81 HA LYS 81 4.400 -8.427 -6.459 574 HB2 LYS 81 1HB LYS 81 2.562 -8.648 -8.183 575 HB3 LYS 81 2HB LYS 81 3.389 -7.396 -9.110 576 HG2 LYS 81 1HG LYS 81 5.376 -8.760 -9.303 577 HG3 LYS 81 2HG LYS 81 4.712 -9.962 -8.200 578 HD2 LYS 81 1HD LYS 81 4.409 -10.797 -10.442 579 HD3 LYS 81 2HD LYS 81 2.828 -10.315 -9.832 580 HE2 LYS 81 1HE LYS 81 2.801 -8.337 -11.136 581 HE3 LYS 81 2HE LYS 81 4.535 -8.418 -11.449 582 HZ1 LYS 81 3HZ LYS 81 3.828 -9.321 -13.367 583 HZ2 LYS 81 1HZ LYS 81 2.346 -9.836 -12.722 584 HZ3 LYS 81 2HZ LYS 81 3.754 -10.745 -12.443 585 H PHE 82 H PHE 82 6.500 -7.887 -6.299 586 HA PHE 82 HA PHE 82 7.549 -5.606 -7.948 587 HB2 PHE 82 1HB PHE 82 8.115 -6.261 -5.050 588 HB3 PHE 82 2HB PHE 82 9.155 -5.212 -6.014 589 HD1 PHE 82 HD2 PHE 82 7.895 -3.324 -7.373 590 HD2 PHE 82 HD1 PHE 82 6.324 -5.276 -3.884 591 HE1 PHE 82 HE2 PHE 82 6.350 -1.420 -7.003 592 HE2 PHE 82 HE1 PHE 82 4.779 -3.373 -3.515 593 HZ PHE 82 HZ PHE 82 4.792 -1.445 -5.075 594 H GLU 83 H GLU 83 9.733 -5.849 -8.614 595 HA GLU 83 HA GLU 83 10.440 -8.520 -9.352 596 HB2 GLU 83 1HB GLU 83 12.380 -6.207 -9.234 597 HB3 GLU 83 2HB GLU 83 12.381 -7.571 -10.350 598 HG2 GLU 83 1HG GLU 83 10.320 -5.364 -10.217 599 HG3 GLU 83 2HG GLU 83 11.549 -5.560 -11.459 600 H VAL 84 H VAL 84 11.665 -6.363 -6.785 601 HA VAL 84 HA VAL 84 12.850 -8.771 -5.455 602 HB VAL 84 HB VAL 84 14.912 -7.679 -5.037 603 HG11 VAL 84 1HG1 VAL 84 14.055 -6.878 -7.838 604 HG12 VAL 84 2HG1 VAL 84 14.647 -8.473 -7.373 605 HG13 VAL 84 3HG1 VAL 84 15.715 -7.073 -7.279 606 HG21 VAL 84 3HG2 VAL 84 15.235 -5.255 -5.798 607 HG22 VAL 84 1HG2 VAL 84 14.219 -5.480 -4.375 608 HG23 VAL 84 2HG2 VAL 84 13.482 -5.169 -5.946 609 H SER 85 H SER 85 13.220 -8.450 -3.149 610 HA SER 85 HA SER 85 10.994 -7.257 -1.812 611 HB2 SER 85 1HB SER 85 12.063 -9.077 -0.718 612 HB3 SER 85 2HB SER 85 13.652 -8.330 -0.858 613 HG SER 85 HG SER 85 11.458 -7.499 0.738 614 H ALA 86 H ALA 86 14.351 -6.166 -2.257 615 HA ALA 86 HA ALA 86 14.569 -4.006 -0.578 616 HB1 ALA 86 3HB ALA 86 15.277 -3.594 -3.478 617 HB2 ALA 86 1HB ALA 86 16.132 -4.802 -2.517 618 HB3 ALA 86 2HB ALA 86 16.169 -3.106 -2.037 619 H GLU 87 H GLU 87 12.584 -4.132 -3.495 620 HA GLU 87 HA GLU 87 11.854 -1.351 -3.499 621 HB2 GLU 87 1HB GLU 87 10.490 -3.829 -4.585 622 HB3 GLU 87 2HB GLU 87 9.850 -2.202 -4.829 623 HG2 GLU 87 1HG GLU 87 12.659 -3.032 -5.595 624 HG3 GLU 87 2HG GLU 87 11.303 -3.030 -6.722 625 H LYS 88 H LYS 88 10.511 -4.214 -1.909 626 HA LYS 88 HA LYS 88 8.152 -2.952 -0.916 627 HB2 LYS 88 1HB LYS 88 8.391 -5.384 -0.889 628 HB3 LYS 88 2HB LYS 88 9.765 -5.263 0.207 629 HG2 LYS 88 1HG LYS 88 7.701 -5.864 1.420 630 HG3 LYS 88 2HG LYS 88 8.309 -4.306 1.952 631 HD2 LYS 88 1HD LYS 88 6.637 -3.114 0.759 632 HD3 LYS 88 2HD LYS 88 6.217 -4.517 -0.224 633 HE2 LYS 88 1HE LYS 88 4.496 -4.228 1.452 634 HE3 LYS 88 2HE LYS 88 5.437 -5.651 1.894 635 HZ1 LYS 88 3HZ LYS 88 5.205 -4.377 3.841 636 HZ2 LYS 88 1HZ LYS 88 5.600 -2.929 3.050 637 HZ3 LYS 88 2HZ LYS 88 6.796 -4.106 3.312 638 H LEU 89 H LEU 89 11.378 -3.390 0.535 639 HA LEU 89 HA LEU 89 10.790 -2.118 3.018 640 HB2 LEU 89 1HB LEU 89 13.312 -2.563 1.424 641 HB3 LEU 89 2HB LEU 89 13.361 -1.630 2.920 642 HG LEU 89 HG LEU 89 12.322 -3.543 4.118 643 HD11 LEU 89 1HD1 LEU 89 11.086 -4.655 2.399 644 HD12 LEU 89 2HD1 LEU 89 12.382 -5.765 2.839 645 HD13 LEU 89 3HD1 LEU 89 12.511 -4.799 1.370 646 HD21 LEU 89 3HD2 LEU 89 14.709 -3.434 4.208 647 HD22 LEU 89 1HD2 LEU 89 14.867 -4.015 2.550 648 HD23 LEU 89 2HD2 LEU 89 14.323 -5.111 3.820 649 H ILE 90 H ILE 90 12.140 -0.785 -0.011 650 HA ILE 90 HA ILE 90 12.298 1.917 0.981 651 HB ILE 90 HB ILE 90 12.176 0.796 -1.836 652 HG12 ILE 90 1HG1 ILE 90 14.504 1.953 -0.276 653 HG13 ILE 90 2HG1 ILE 90 14.142 0.227 -0.337 654 HG21 ILE 90 1HG2 ILE 90 13.161 3.088 -2.409 655 HG22 ILE 90 2HG2 ILE 90 12.619 3.608 -0.814 656 HG23 ILE 90 3HG2 ILE 90 11.444 3.064 -2.011 657 HD11 ILE 90 3HD1 ILE 90 14.760 2.013 -2.706 658 HD12 ILE 90 1HD1 ILE 90 14.289 0.318 -2.822 659 HD13 ILE 90 2HD1 ILE 90 15.807 0.760 -2.041 660 H PHE 91 H PHE 91 9.867 0.179 -0.959 661 HA PHE 91 HA PHE 91 8.106 2.382 -1.365 662 HB2 PHE 91 1HB PHE 91 7.884 0.265 -2.600 663 HB3 PHE 91 2HB PHE 91 7.453 -0.569 -1.106 664 HD1 PHE 91 HD1 PHE 91 6.419 2.281 -3.300 665 HD2 PHE 91 HD2 PHE 91 5.205 -0.644 -0.399 666 HE1 PHE 91 HE1 PHE 91 4.052 2.946 -3.621 667 HE2 PHE 91 HE2 PHE 91 2.838 0.020 -0.719 668 HZ PHE 91 HZ PHE 91 2.261 1.815 -2.331 669 H GLU 92 H GLU 92 8.170 -0.092 1.205 670 HA GLU 92 HA GLU 92 5.903 0.968 2.618 671 HB2 GLU 92 1HB GLU 92 6.832 -1.323 2.975 672 HB3 GLU 92 2HB GLU 92 8.251 -0.597 3.730 673 HG2 GLU 92 1HG GLU 92 6.830 0.430 5.453 674 HG3 GLU 92 2HG GLU 92 5.395 -0.253 4.687 675 H LEU 93 H LEU 93 9.397 1.552 2.844 676 HA LEU 93 HA LEU 93 9.327 3.226 5.160 677 HB2 LEU 93 1HB LEU 93 11.382 2.224 4.031 678 HB3 LEU 93 2HB LEU 93 11.217 3.483 2.809 679 HG LEU 93 HG LEU 93 11.165 5.106 4.908 680 HD11 LEU 93 1HD1 LEU 93 12.641 4.246 6.724 681 HD12 LEU 93 2HD1 LEU 93 12.622 2.658 5.956 682 HD13 LEU 93 3HD1 LEU 93 11.134 3.339 6.610 683 HD21 LEU 93 3HD2 LEU 93 13.690 3.743 3.918 684 HD22 LEU 93 1HD2 LEU 93 13.643 5.281 4.778 685 HD23 LEU 93 2HD2 LEU 93 12.907 5.141 3.182 686 H LYS 94 H LYS 94 9.254 4.032 1.688 687 HA LYS 94 HA LYS 94 8.897 6.867 2.122 688 HB2 LYS 94 1HB LYS 94 9.805 5.905 0.021 689 HB3 LYS 94 2HB LYS 94 8.227 5.191 -0.309 690 HG2 LYS 94 1HG LYS 94 7.197 7.373 -0.455 691 HG3 LYS 94 2HG LYS 94 8.675 8.156 0.103 692 HD2 LYS 94 1HD LYS 94 8.416 8.332 -2.359 693 HD3 LYS 94 2HD LYS 94 9.859 7.423 -1.912 694 HE2 LYS 94 1HE LYS 94 8.321 6.452 -3.769 695 HE3 LYS 94 2HE LYS 94 8.901 5.361 -2.517 696 HZ1 LYS 94 3HZ LYS 94 6.519 5.118 -2.914 697 HZ2 LYS 94 1HZ LYS 94 6.271 6.744 -2.504 698 HZ3 LYS 94 2HZ LYS 94 6.825 5.649 -1.331 699 H THR 95 H THR 95 6.670 4.216 1.329 700 HA THR 95 HA THR 95 4.303 5.799 1.175 701 HB THR 95 HB THR 95 4.651 2.900 1.996 702 HG1 THR 95 HG1 THR 95 3.771 2.882 -0.332 703 HG21 THR 95 3HG2 THR 95 2.232 4.508 1.157 704 HG22 THR 95 1HG2 THR 95 2.476 3.662 2.685 705 HG23 THR 95 2HG2 THR 95 2.264 2.745 1.191 706 H ARG 96 H ARG 96 5.801 4.071 3.906 707 HA ARG 96 HA ARG 96 3.806 4.634 5.845 708 HB2 ARG 96 1HB ARG 96 5.701 3.066 6.210 709 HB3 ARG 96 2HB ARG 96 6.806 4.440 6.269 710 HG2 ARG 96 1HG ARG 96 5.658 5.337 8.224 711 HG3 ARG 96 2HG ARG 96 4.442 4.061 8.127 712 HD2 ARG 96 1HD ARG 96 6.113 3.488 9.826 713 HD3 ARG 96 2HD ARG 96 6.217 2.363 8.473 714 HE ARG 96 HE ARG 96 8.333 3.302 7.893 715 HH11 ARG 96 1HH2 ARG 96 6.696 5.085 10.363 716 HH12 ARG 96 2HH2 ARG 96 8.090 6.020 10.787 717 HH21 ARG 96 1HH1 ARG 96 10.152 4.517 8.441 718 HH22 ARG 96 2HH1 ARG 96 10.042 5.700 9.700 719 H ALA 97 H ALA 97 6.631 6.520 4.814 720 HA ALA 97 HA ALA 97 6.422 8.631 6.690 721 HB1 ALA 97 3HB ALA 97 7.661 9.965 5.069 722 HB2 ALA 97 1HB ALA 97 7.196 8.872 3.765 723 HB3 ALA 97 2HB ALA 97 8.286 8.317 5.035 724 H LEU 98 H LEU 98 4.877 8.245 3.505 725 HA LEU 98 HA LEU 98 3.410 10.707 3.579 726 HB2 LEU 98 1HB LEU 98 2.851 8.084 2.159 727 HB3 LEU 98 2HB LEU 98 1.944 9.566 1.870 728 HG LEU 98 HG LEU 98 4.950 9.318 1.549 729 HD11 LEU 98 1HD1 LEU 98 2.696 9.133 -0.463 730 HD12 LEU 98 2HD1 LEU 98 3.918 7.912 -0.106 731 HD13 LEU 98 3HD1 LEU 98 4.378 9.410 -0.916 732 HD21 LEU 98 3HD2 LEU 98 4.579 11.608 1.800 733 HD22 LEU 98 1HD2 LEU 98 2.941 11.530 1.151 734 HD23 LEU 98 2HD2 LEU 98 4.327 11.450 0.065 735 H ALA 99 H ALA 99 2.648 7.422 4.676 736 HA ALA 99 HA ALA 99 -0.071 7.794 5.342 737 HB1 ALA 99 3HB ALA 99 1.852 6.188 7.033 738 HB2 ALA 99 1HB ALA 99 1.334 5.642 5.438 739 HB3 ALA 99 2HB ALA 99 0.146 5.865 6.722 740 H ARG 100 H ARG 100 2.805 8.301 7.412 741 HA ARG 100 HA ARG 100 1.092 9.633 9.438 742 HB2 ARG 100 1HB ARG 100 4.071 9.057 9.404 743 HB3 ARG 100 2HB ARG 100 3.171 9.685 10.783 744 HG2 ARG 100 1HG ARG 100 2.345 7.094 9.472 745 HG3 ARG 100 2HG ARG 100 3.646 7.116 10.658 746 HD2 ARG 100 1HD ARG 100 2.128 8.164 12.304 747 HD3 ARG 100 2HD ARG 100 0.820 8.124 11.125 748 HE ARG 100 HE ARG 100 0.591 5.801 11.518 749 HH11 ARG 100 1HH2 ARG 100 3.538 7.081 12.772 750 HH12 ARG 100 2HH2 ARG 100 3.938 5.648 13.660 751 HH21 ARG 100 1HH1 ARG 100 1.093 3.922 12.673 752 HH22 ARG 100 2HH1 ARG 100 2.552 3.859 13.605 753 H LEU 101 H LEU 101 4.167 10.437 7.773 754 HA LEU 101 HA LEU 101 3.280 12.991 6.861 755 HB2 LEU 101 1HB LEU 101 3.266 13.551 9.276 756 HB3 LEU 101 2HB LEU 101 4.947 13.050 9.397 757 HG LEU 101 HG LEU 101 5.604 14.816 7.817 758 HD11 LEU 101 1HD1 LEU 101 3.825 15.173 6.345 759 HD12 LEU 101 2HD1 LEU 101 3.673 16.577 7.394 760 HD13 LEU 101 3HD1 LEU 101 2.620 15.183 7.633 761 HD21 LEU 101 3HD2 LEU 101 5.471 15.295 10.254 762 HD22 LEU 101 1HD2 LEU 101 3.822 15.879 10.029 763 HD23 LEU 101 2HD2 LEU 101 5.170 16.728 9.274 764 H GLU 102 H GLU 102 4.855 13.934 5.541 765 HA GLU 102 HA GLU 102 7.158 12.240 4.896 766 HB2 GLU 102 1HB GLU 102 5.701 13.432 3.191 767 HB3 GLU 102 2HB GLU 102 6.432 14.939 3.732 768 HG2 GLU 102 1HG GLU 102 7.718 14.250 1.845 769 HG3 GLU 102 2HG GLU 102 8.698 13.838 3.249 770 H HIS 103 H HIS 103 8.022 15.405 4.297 771 HA HIS 103 HA HIS 103 9.884 16.611 5.081 772 HB2 HIS 103 1HB HIS 103 8.238 16.298 7.602 773 HB3 HIS 103 2HB HIS 103 9.529 17.478 7.376 774 HD1 HIS 103 HD1 HIS 103 9.148 19.235 5.359 775 HD2 HIS 103 HD2 HIS 103 5.786 17.080 6.544 776 HE1 HIS 103 HE1 HIS 103 7.142 20.462 4.415 777 H HIS 104 H HIS 104 11.135 16.647 7.574 778 HA HIS 104 HA HIS 104 12.619 14.074 7.451 779 HB2 HIS 104 1HB HIS 104 13.234 16.711 8.817 780 HB3 HIS 104 2HB HIS 104 14.299 15.303 8.825 781 HD1 HIS 104 HD1 HIS 104 14.942 14.399 6.310 782 HD2 HIS 104 HD2 HIS 104 13.586 18.330 6.595 783 HE1 HIS 104 HE1 HIS 104 15.635 15.553 4.165 784 H HIS 105 H HIS 105 12.664 12.646 9.152 785 HA HIS 105 HA HIS 105 10.674 13.043 11.291 786 HB2 HIS 105 1HB HIS 105 11.570 10.683 11.942 787 HB3 HIS 105 2HB HIS 105 10.660 10.841 10.440 788 HD1 HIS 105 HD1 HIS 105 14.262 10.724 11.660 789 HD2 HIS 105 HD2 HIS 105 12.082 10.122 8.158 790 HE1 HIS 105 HE1 HIS 105 15.885 9.780 9.959 791 H HIS 106 H HIS 106 11.224 13.934 13.212 792 HA HIS 106 HA HIS 106 14.067 13.704 14.167 793 HB2 HIS 106 1HB HIS 106 13.480 16.015 13.382 794 HB3 HIS 106 2HB HIS 106 12.200 16.056 14.596 795 HD1 HIS 106 HD1 HIS 106 15.925 15.190 14.583 796 HD2 HIS 106 HD2 HIS 106 13.118 17.193 16.926 797 HE1 HIS 106 HE1 HIS 106 17.182 16.099 16.586 798 H HIS 107 H HIS 107 14.112 12.515 16.003 799 HA HIS 107 HA HIS 107 12.080 12.992 18.101 800 HB2 HIS 107 1HB HIS 107 11.196 11.131 16.637 801 HB3 HIS 107 2HB HIS 107 12.617 10.187 17.089 802 HD1 HIS 107 HD1 HIS 107 9.701 11.989 18.753 803 HD2 HIS 107 HD2 HIS 107 12.357 8.866 19.514 804 HE1 HIS 107 HE1 HIS 107 8.971 10.946 20.942 805 H HIS 108 H HIS 108 12.902 12.587 20.149 806 HA HIS 108 HA HIS 108 15.354 11.034 20.516 807 HB2 HIS 108 1HB HIS 108 15.357 14.050 20.785 808 HB3 HIS 108 2HB HIS 108 16.569 13.017 21.544 809 HD1 HIS 108 HD1 HIS 108 15.319 14.122 18.164 810 HD2 HIS 108 HD2 HIS 108 18.474 11.921 19.767 811 HE1 HIS 108 HE1 HIS 108 16.949 13.722 16.268 Start of MODEL 15 1 H1 MET 1 1H MET 1 -22.126 2.293 -29.108 2 H2 MET 1 2H MET 1 -21.653 1.037 -28.066 3 H3 MET 1 3H MET 1 -21.497 0.854 -29.748 4 HA MET 1 HA MET 1 -20.114 3.163 -29.059 5 HB2 MET 1 1HB MET 1 -19.466 0.752 -27.327 6 HB3 MET 1 2HB MET 1 -18.451 2.184 -27.476 7 HG2 MET 1 1HG MET 1 -21.323 2.190 -26.500 8 HG3 MET 1 2HG MET 1 -19.907 2.276 -25.456 9 HE1 MET 1 3HE MET 1 -17.921 4.475 -27.269 10 HE2 MET 1 1HE MET 1 -18.134 3.779 -25.657 11 HE3 MET 1 2HE MET 1 -18.309 5.514 -25.901 12 H SER 2 H SER 2 -18.930 3.217 -30.870 13 HA SER 2 HA SER 2 -18.292 0.809 -32.374 14 HB2 SER 2 1HB SER 2 -17.655 3.739 -32.702 15 HB3 SER 2 2HB SER 2 -16.989 2.522 -33.787 16 HG SER 2 HG SER 2 -19.702 3.176 -33.295 17 H ASN 3 H ASN 3 -16.780 2.600 -29.870 18 HA ASN 3 HA ASN 3 -14.025 2.119 -30.456 19 HB2 ASN 3 1HB ASN 3 -15.550 2.563 -27.888 20 HB3 ASN 3 2HB ASN 3 -13.802 2.319 -27.902 21 HD21 ASN 3 2HD2 ASN 3 -14.952 4.802 -27.047 22 HD22 ASN 3 1HD2 ASN 3 -14.532 6.001 -28.175 23 H GLN 4 H GLN 4 -16.458 0.216 -28.713 24 HA GLN 4 HA GLN 4 -14.867 -1.816 -27.639 25 HB2 GLN 4 1HB GLN 4 -17.593 -2.065 -28.944 26 HB3 GLN 4 2HB GLN 4 -16.870 -3.270 -27.881 27 HG2 GLN 4 1HG GLN 4 -17.419 -0.397 -27.090 28 HG3 GLN 4 2HG GLN 4 -18.467 -1.758 -26.695 29 HE21 GLN 4 2HE2 GLN 4 -16.304 0.135 -25.201 30 HE22 GLN 4 1HE2 GLN 4 -15.547 -0.985 -24.173 31 H THR 5 H THR 5 -16.818 -2.710 -30.432 32 HA THR 5 HA THR 5 -16.319 -4.220 -32.154 33 HB THR 5 HB THR 5 -13.876 -2.432 -32.359 34 HG1 THR 5 HG1 THR 5 -15.516 -1.066 -32.536 35 HG21 THR 5 3HG2 THR 5 -13.700 -4.416 -33.761 36 HG22 THR 5 1HG2 THR 5 -14.078 -3.029 -34.784 37 HG23 THR 5 2HG2 THR 5 -15.344 -4.179 -34.355 38 H CYS 6 H CYS 6 -15.957 -5.993 -30.623 39 HA CYS 6 HA CYS 6 -13.128 -6.941 -30.693 40 HB2 CYS 6 1HB CYS 6 -14.971 -6.938 -28.283 41 HB3 CYS 6 2HB CYS 6 -13.434 -7.802 -28.363 42 HG CYS 6 HG CYS 6 -13.396 -5.164 -27.404 43 H VAL 7 H VAL 7 -12.922 -9.211 -30.821 44 HA VAL 7 HA VAL 7 -15.386 -10.602 -31.720 45 HB VAL 7 HB VAL 7 -12.461 -11.351 -31.952 46 HG11 VAL 7 1HG1 VAL 7 -13.706 -13.390 -31.887 47 HG12 VAL 7 2HG1 VAL 7 -13.443 -13.049 -33.598 48 HG13 VAL 7 3HG1 VAL 7 -15.009 -12.709 -32.861 49 HG21 VAL 7 3HG2 VAL 7 -13.001 -9.493 -33.398 50 HG22 VAL 7 1HG2 VAL 7 -14.510 -10.255 -33.901 51 HG23 VAL 7 2HG2 VAL 7 -12.965 -10.943 -34.401 52 H GLU 8 H GLU 8 -16.282 -12.248 -30.591 53 HA GLU 8 HA GLU 8 -15.726 -12.691 -27.868 54 HB2 GLU 8 1HB GLU 8 -17.855 -13.279 -28.996 55 HB3 GLU 8 2HB GLU 8 -17.036 -14.610 -29.812 56 HG2 GLU 8 1HG GLU 8 -16.504 -15.641 -27.648 57 HG3 GLU 8 2HG GLU 8 -17.260 -14.290 -26.803 58 H ASN 9 H ASN 9 -14.492 -14.156 -26.755 59 HA ASN 9 HA ASN 9 -12.575 -15.470 -26.407 60 HB2 ASN 9 1HB ASN 9 -14.112 -17.043 -28.492 61 HB3 ASN 9 2HB ASN 9 -12.728 -17.685 -27.607 62 HD21 ASN 9 2HD2 ASN 9 -15.573 -18.594 -27.465 63 HD22 ASN 9 1HD2 ASN 9 -16.025 -18.429 -25.836 64 H GLU 10 H GLU 10 -12.210 -17.113 -29.251 65 HA GLU 10 HA GLU 10 -10.607 -17.043 -30.946 66 HB2 GLU 10 1HB GLU 10 -12.014 -14.966 -31.516 67 HB3 GLU 10 2HB GLU 10 -10.737 -14.030 -30.737 68 HG2 GLU 10 1HG GLU 10 -10.195 -14.098 -33.075 69 HG3 GLU 10 2HG GLU 10 -9.090 -15.210 -32.270 70 H VAL 11 H VAL 11 -9.763 -14.063 -29.179 71 HA VAL 11 HA VAL 11 -7.729 -13.385 -28.259 72 HB VAL 11 HB VAL 11 -7.218 -16.250 -27.459 73 HG11 VAL 11 1HG1 VAL 11 -5.666 -14.476 -26.729 74 HG12 VAL 11 2HG1 VAL 11 -6.543 -15.139 -25.349 75 HG13 VAL 11 3HG1 VAL 11 -7.013 -13.580 -26.027 76 HG21 VAL 11 3HG2 VAL 11 -9.439 -14.446 -26.468 77 HG22 VAL 11 1HG2 VAL 11 -8.833 -15.816 -25.540 78 HG23 VAL 11 2HG2 VAL 11 -9.591 -16.079 -27.111 79 H CYS 12 H CYS 12 -7.905 -15.042 -30.959 80 HA CYS 12 HA CYS 12 -6.410 -15.928 -32.535 81 HB2 CYS 12 1HB CYS 12 -6.130 -13.509 -32.778 82 HB3 CYS 12 2HB CYS 12 -4.892 -13.509 -31.520 83 HG CYS 12 HG CYS 12 -3.650 -13.691 -33.812 84 H GLU 13 H GLU 13 -5.788 -17.900 -31.648 85 HA GLU 13 HA GLU 13 -4.352 -19.484 -30.732 86 HB2 GLU 13 1HB GLU 13 -2.329 -17.339 -31.447 87 HB3 GLU 13 2HB GLU 13 -1.916 -18.993 -30.996 88 HG2 GLU 13 1HG GLU 13 -3.706 -18.240 -33.326 89 HG3 GLU 13 2HG GLU 13 -2.005 -18.675 -33.471 90 H ALA 14 H ALA 14 -5.391 -19.115 -28.657 91 HA ALA 14 HA ALA 14 -4.373 -17.278 -26.712 92 HB1 ALA 14 3HB ALA 14 -5.666 -18.602 -25.102 93 HB2 ALA 14 1HB ALA 14 -5.840 -19.894 -26.290 94 HB3 ALA 14 2HB ALA 14 -6.608 -18.331 -26.568 95 H CYS 15 H CYS 15 -2.767 -17.498 -25.197 96 HA CYS 15 HA CYS 15 -1.442 -20.127 -24.848 97 HB2 CYS 15 1HB CYS 15 -0.296 -18.757 -26.701 98 HB3 CYS 15 2HB CYS 15 0.200 -17.655 -25.418 99 HG CYS 15 HG CYS 15 1.604 -19.536 -24.347 100 H GLY 16 H GLY 16 -0.780 -20.417 -22.764 101 HA2 GLY 16 1HA GLY 16 -0.673 -19.983 -20.461 102 HA3 GLY 16 2HA GLY 16 0.231 -18.556 -20.963 103 H CYS 17 H CYS 17 -0.804 -16.561 -21.027 104 HA CYS 17 HA CYS 17 -2.369 -14.943 -20.455 105 HB2 CYS 17 1HB CYS 17 -3.763 -16.358 -22.091 106 HB3 CYS 17 2HB CYS 17 -4.509 -17.068 -20.660 107 HG CYS 17 HG CYS 17 -5.227 -14.396 -21.775 108 H ALA 18 H ALA 18 -2.541 -14.182 -18.452 109 HA ALA 18 HA ALA 18 -2.726 -15.996 -16.160 110 HB1 ALA 18 3HB ALA 18 -2.609 -12.967 -16.341 111 HB2 ALA 18 1HB ALA 18 -1.241 -14.047 -16.054 112 HB3 ALA 18 2HB ALA 18 -2.513 -13.892 -14.842 113 H GLY 19 H GLY 19 -4.927 -14.577 -18.228 114 HA2 GLY 19 1HA GLY 19 -7.290 -14.836 -18.080 115 HA3 GLY 19 2HA GLY 19 -7.136 -15.105 -16.347 116 H GLU 20 H GLU 20 -9.109 -13.481 -16.988 117 HA GLU 20 HA GLU 20 -8.654 -10.747 -17.444 118 HB2 GLU 20 1HB GLU 20 -10.726 -12.078 -15.679 119 HB3 GLU 20 2HB GLU 20 -10.785 -10.391 -16.181 120 HG2 GLU 20 1HG GLU 20 -10.726 -12.752 -18.085 121 HG3 GLU 20 2HG GLU 20 -12.182 -11.874 -17.620 122 H ILE 21 H ILE 21 -9.604 -11.794 -14.187 123 HA ILE 21 HA ILE 21 -7.676 -9.806 -13.081 124 HB ILE 21 HB ILE 21 -10.071 -11.139 -11.791 125 HG12 ILE 21 1HG1 ILE 21 -9.693 -8.273 -12.710 126 HG13 ILE 21 2HG1 ILE 21 -10.531 -9.497 -13.665 127 HG21 ILE 21 1HG2 ILE 21 -8.150 -8.982 -10.867 128 HG22 ILE 21 2HG2 ILE 21 -8.427 -10.552 -10.113 129 HG23 ILE 21 3HG2 ILE 21 -9.690 -9.321 -10.079 130 HD11 ILE 21 3HD1 ILE 21 -12.070 -9.869 -11.710 131 HD12 ILE 21 1HD1 ILE 21 -12.192 -8.256 -12.416 132 HD13 ILE 21 2HD1 ILE 21 -11.304 -8.495 -10.912 133 H GLY 22 H GLY 22 -5.933 -10.470 -11.974 134 HA2 GLY 22 1HA GLY 22 -5.441 -13.326 -11.616 135 HA3 GLY 22 2HA GLY 22 -4.326 -12.021 -11.221 136 H PHE 23 H PHE 23 -6.829 -14.093 -10.012 137 HA PHE 23 HA PHE 23 -6.756 -12.766 -7.340 138 HB2 PHE 23 1HB PHE 23 -8.988 -13.242 -8.270 139 HB3 PHE 23 2HB PHE 23 -8.557 -14.945 -8.439 140 HD1 PHE 23 HD1 PHE 23 -8.756 -12.209 -5.890 141 HD2 PHE 23 HD2 PHE 23 -8.949 -16.431 -6.658 142 HE1 PHE 23 HE1 PHE 23 -9.426 -12.607 -3.537 143 HE2 PHE 23 HE2 PHE 23 -9.619 -16.829 -4.304 144 HZ PHE 23 HZ PHE 23 -9.857 -14.916 -2.744 145 H ILE 24 H ILE 24 -5.193 -15.127 -9.069 146 HA ILE 24 HA ILE 24 -4.931 -17.130 -6.951 147 HB ILE 24 HB ILE 24 -3.265 -18.149 -8.490 148 HG12 ILE 24 1HG1 ILE 24 -3.886 -15.779 -10.288 149 HG13 ILE 24 2HG1 ILE 24 -2.386 -15.956 -9.381 150 HG21 ILE 24 1HG2 ILE 24 -5.814 -17.210 -9.821 151 HG22 ILE 24 2HG2 ILE 24 -5.650 -18.632 -8.794 152 HG23 ILE 24 3HG2 ILE 24 -4.833 -18.573 -10.354 153 HD11 ILE 24 3HD1 ILE 24 -1.884 -18.043 -10.561 154 HD12 ILE 24 1HD1 ILE 24 -2.140 -16.739 -11.719 155 HD13 ILE 24 2HD1 ILE 24 -3.408 -17.931 -11.439 156 H ILE 25 H ILE 25 -3.490 -14.141 -7.745 157 HA ILE 25 HA ILE 25 -0.840 -14.570 -6.855 158 HB ILE 25 HB ILE 25 -2.538 -12.062 -6.762 159 HG12 ILE 25 1HG1 ILE 25 -0.369 -12.877 -8.712 160 HG13 ILE 25 2HG1 ILE 25 -2.081 -13.189 -8.994 161 HG21 ILE 25 1HG2 ILE 25 0.408 -12.534 -6.265 162 HG22 ILE 25 2HG2 ILE 25 -0.742 -11.660 -5.253 163 HG23 ILE 25 3HG2 ILE 25 -0.207 -10.965 -6.782 164 HD11 ILE 25 3HD1 ILE 25 -1.490 -11.111 -10.101 165 HD12 ILE 25 1HD1 ILE 25 -0.773 -10.479 -8.619 166 HD13 ILE 25 2HD1 ILE 25 -2.516 -10.732 -8.717 167 H ARG 26 H ARG 26 -0.942 -15.874 -4.964 168 HA ARG 26 HA ARG 26 -2.002 -14.539 -2.505 169 HB2 ARG 26 1HB ARG 26 -2.973 -16.766 -3.059 170 HB3 ARG 26 2HB ARG 26 -1.362 -17.468 -2.984 171 HG2 ARG 26 1HG ARG 26 -1.153 -16.745 -0.629 172 HG3 ARG 26 2HG ARG 26 -2.765 -16.040 -0.704 173 HD2 ARG 26 1HD ARG 26 -2.929 -18.226 0.325 174 HD3 ARG 26 2HD ARG 26 -3.663 -18.314 -1.274 175 HE ARG 26 HE ARG 26 -0.898 -19.039 -1.450 176 HH11 ARG 26 1HH2 ARG 26 -3.959 -20.127 -0.276 177 HH12 ARG 26 2HH2 ARG 26 -3.562 -21.808 -0.421 178 HH21 ARG 26 1HH1 ARG 26 -0.372 -21.225 -1.638 179 HH22 ARG 26 2HH1 ARG 26 -1.535 -22.428 -1.191 180 H GLU 27 H GLU 27 0.214 -17.207 -2.382 181 HA GLU 27 HA GLU 27 2.157 -15.532 -0.948 182 HB2 GLU 27 1HB GLU 27 3.221 -17.690 -0.394 183 HB3 GLU 27 2HB GLU 27 1.508 -17.682 0.016 184 HG2 GLU 27 1HG GLU 27 1.793 -19.754 -1.069 185 HG3 GLU 27 2HG GLU 27 1.147 -18.719 -2.337 186 H GLY 28 H GLY 28 4.346 -15.313 -1.561 187 HA2 GLY 28 1HA GLY 28 5.711 -16.588 -3.616 188 HA3 GLY 28 2HA GLY 28 4.837 -15.281 -4.408 189 H ASP 29 H ASP 29 7.778 -15.720 -3.862 190 HA ASP 29 HA ASP 29 8.641 -13.766 -1.925 191 HB2 ASP 29 1HB ASP 29 9.995 -15.047 -4.311 192 HB3 ASP 29 2HB ASP 29 10.824 -13.936 -3.222 193 H ASP 30 H ASP 30 7.354 -13.559 -5.091 194 HA ASP 30 HA ASP 30 8.495 -10.873 -5.603 195 HB2 ASP 30 1HB ASP 30 7.186 -11.089 -7.755 196 HB3 ASP 30 2HB ASP 30 8.417 -12.331 -7.526 197 H VAL 31 H VAL 31 6.236 -11.847 -3.591 198 HA VAL 31 HA VAL 31 4.257 -9.713 -4.317 199 HB VAL 31 HB VAL 31 3.910 -12.305 -2.785 200 HG11 VAL 31 1HG1 VAL 31 2.592 -10.709 -1.598 201 HG12 VAL 31 2HG1 VAL 31 1.473 -11.512 -2.699 202 HG13 VAL 31 3HG1 VAL 31 2.095 -9.909 -3.089 203 HG21 VAL 31 3HG2 VAL 31 2.822 -11.201 -5.389 204 HG22 VAL 31 1HG2 VAL 31 2.139 -12.613 -4.587 205 HG23 VAL 31 2HG2 VAL 31 3.805 -12.648 -5.162 206 H ALA 32 H ALA 32 3.930 -8.106 -2.867 207 HA ALA 32 HA ALA 32 5.431 -8.235 -0.282 208 HB1 ALA 32 3HB ALA 32 6.241 -6.403 -1.551 209 HB2 ALA 32 1HB ALA 32 5.102 -5.680 -0.417 210 HB3 ALA 32 2HB ALA 32 4.625 -5.956 -2.092 211 H GLU 33 H GLU 33 4.350 -7.334 1.606 212 HA GLU 33 HA GLU 33 1.377 -7.627 1.467 213 HB2 GLU 33 1HB GLU 33 3.349 -7.933 3.739 214 HB3 GLU 33 2HB GLU 33 1.596 -7.981 3.950 215 HG2 GLU 33 1HG GLU 33 1.431 -9.873 2.409 216 HG3 GLU 33 2HG GLU 33 3.164 -9.797 2.096 217 H VAL 34 H VAL 34 0.143 -5.866 1.787 218 HA VAL 34 HA VAL 34 1.365 -3.453 3.086 219 HB VAL 34 HB VAL 34 -0.528 -3.653 0.731 220 HG11 VAL 34 1HG1 VAL 34 -0.343 -1.106 0.802 221 HG12 VAL 34 2HG1 VAL 34 0.269 -1.290 2.445 222 HG13 VAL 34 3HG1 VAL 34 -1.360 -1.836 2.042 223 HG21 VAL 34 3HG2 VAL 34 2.194 -2.355 1.052 224 HG22 VAL 34 1HG2 VAL 34 1.251 -2.449 -0.432 225 HG23 VAL 34 2HG2 VAL 34 1.908 -3.919 0.285 226 H SER 35 H SER 35 0.177 -2.577 4.737 227 HA SER 35 HA SER 35 -2.657 -3.479 5.089 228 HB2 SER 35 1HB SER 35 -2.180 -3.553 7.560 229 HB3 SER 35 2HB SER 35 -1.349 -4.803 6.637 230 HG SER 35 HG SER 35 0.412 -3.994 7.425 231 H LEU 36 H LEU 36 -4.036 -1.895 5.852 232 HA LEU 36 HA LEU 36 -2.853 0.799 6.429 233 HB2 LEU 36 1HB LEU 36 -5.343 0.119 4.844 234 HB3 LEU 36 2HB LEU 36 -4.874 1.751 5.310 235 HG LEU 36 HG LEU 36 -3.104 -0.105 3.694 236 HD11 LEU 36 1HD1 LEU 36 -3.816 1.092 1.714 237 HD12 LEU 36 2HD1 LEU 36 -4.821 2.177 2.676 238 HD13 LEU 36 3HD1 LEU 36 -5.253 0.473 2.528 239 HD21 LEU 36 3HD2 LEU 36 -2.154 2.265 3.067 240 HD22 LEU 36 1HD2 LEU 36 -1.703 1.551 4.610 241 HD23 LEU 36 2HD2 LEU 36 -2.956 2.791 4.542 242 H PHE 37 H PHE 37 -3.932 2.026 8.002 243 HA PHE 37 HA PHE 37 -6.045 0.581 9.564 244 HB2 PHE 37 1HB PHE 37 -3.698 2.196 10.603 245 HB3 PHE 37 2HB PHE 37 -5.006 1.560 11.601 246 HD1 PHE 37 HD2 PHE 37 -5.432 -0.962 11.578 247 HD2 PHE 37 HD1 PHE 37 -1.857 0.826 10.005 248 HE1 PHE 37 HE2 PHE 37 -4.279 -3.152 11.710 249 HE2 PHE 37 HE1 PHE 37 -0.704 -1.365 10.136 250 HZ PHE 37 HZ PHE 37 -1.915 -3.355 10.988 251 H GLY 38 H GLY 38 -7.694 1.882 10.389 252 HA2 GLY 38 1HA GLY 38 -7.771 4.620 10.758 253 HA3 GLY 38 2HA GLY 38 -8.103 4.417 9.038 254 H SER 39 H SER 39 -10.252 5.259 9.426 255 HA SER 39 HA SER 39 -12.084 3.830 11.189 256 HB2 SER 39 1HB SER 39 -12.767 5.818 9.018 257 HB3 SER 39 2HB SER 39 -13.727 5.409 10.436 258 HG SER 39 HG SER 39 -12.426 6.579 11.666 259 H ASP 40 H ASP 40 -14.254 4.216 9.087 260 HA ASP 40 HA ASP 40 -14.578 1.550 8.286 261 HB2 ASP 40 1HB ASP 40 -16.314 3.403 8.254 262 HB3 ASP 40 2HB ASP 40 -15.610 3.927 6.725 263 H LYS 41 H LYS 41 -14.863 1.035 5.791 264 HA LYS 41 HA LYS 41 -12.264 0.795 4.674 265 HB2 LYS 41 1HB LYS 41 -14.438 -0.541 4.197 266 HB3 LYS 41 2HB LYS 41 -14.786 0.721 3.019 267 HG2 LYS 41 1HG LYS 41 -12.384 0.268 2.140 268 HG3 LYS 41 2HG LYS 41 -12.482 -1.228 3.064 269 HD2 LYS 41 1HD LYS 41 -14.460 -0.359 0.934 270 HD3 LYS 41 2HD LYS 41 -13.195 -1.568 0.718 271 HE2 LYS 41 1HE LYS 41 -14.254 -2.774 2.736 272 HE3 LYS 41 2HE LYS 41 -15.640 -1.714 2.480 273 HZ1 LYS 41 3HZ LYS 41 -14.625 -3.881 0.809 274 HZ2 LYS 41 1HZ LYS 41 -15.294 -2.538 0.016 275 HZ3 LYS 41 2HZ LYS 41 -16.226 -3.417 1.132 276 H ALA 42 H ALA 42 -14.867 3.122 3.996 277 HA ALA 42 HA ALA 42 -13.936 4.373 1.705 278 HB1 ALA 42 3HB ALA 42 -15.082 5.683 4.184 279 HB2 ALA 42 1HB ALA 42 -16.002 5.049 2.817 280 HB3 ALA 42 2HB ALA 42 -14.962 6.458 2.605 281 H HIS 43 H HIS 43 -12.920 5.167 5.043 282 HA HIS 43 HA HIS 43 -11.028 7.171 4.329 283 HB2 HIS 43 1HB HIS 43 -11.934 6.658 6.643 284 HB3 HIS 43 2HB HIS 43 -10.825 5.290 6.689 285 HD1 HIS 43 HD1 HIS 43 -9.868 8.538 5.064 286 HD2 HIS 43 HD2 HIS 43 -9.118 6.494 8.618 287 HE1 HIS 43 HE1 HIS 43 -7.980 9.772 6.215 288 H LEU 44 H LEU 44 -10.669 3.662 4.762 289 HA LEU 44 HA LEU 44 -7.837 3.560 4.378 290 HB2 LEU 44 1HB LEU 44 -9.860 1.424 3.665 291 HB3 LEU 44 2HB LEU 44 -8.152 1.184 4.036 292 HG LEU 44 HG LEU 44 -10.242 2.261 5.953 293 HD11 LEU 44 1HD1 LEU 44 -10.286 -0.230 5.341 294 HD12 LEU 44 2HD1 LEU 44 -10.135 0.153 7.055 295 HD13 LEU 44 3HD1 LEU 44 -8.715 -0.336 6.133 296 HD21 LEU 44 3HD2 LEU 44 -8.235 3.259 6.653 297 HD22 LEU 44 1HD2 LEU 44 -7.254 1.890 6.127 298 HD23 LEU 44 2HD2 LEU 44 -8.243 1.764 7.582 299 H GLU 45 H GLU 45 -10.560 3.407 2.110 300 HA GLU 45 HA GLU 45 -9.121 2.716 -0.232 301 HB2 GLU 45 1HB GLU 45 -11.572 4.448 0.162 302 HB3 GLU 45 2HB GLU 45 -10.979 3.956 -1.425 303 HG2 GLU 45 1HG GLU 45 -11.232 1.597 -0.815 304 HG3 GLU 45 2HG GLU 45 -11.743 2.055 0.805 305 H GLY 46 H GLY 46 -9.706 5.889 1.266 306 HA2 GLY 46 1HA GLY 46 -8.493 7.458 -0.786 307 HA3 GLY 46 2HA GLY 46 -8.660 7.955 0.898 308 H LYS 47 H LYS 47 -7.147 5.954 2.146 309 HA LYS 47 HA LYS 47 -4.476 6.942 1.801 310 HB2 LYS 47 1HB LYS 47 -5.557 4.492 3.217 311 HB3 LYS 47 2HB LYS 47 -3.874 5.012 3.311 312 HG2 LYS 47 1HG LYS 47 -4.597 7.191 4.221 313 HG3 LYS 47 2HG LYS 47 -6.279 6.670 4.127 314 HD2 LYS 47 1HD LYS 47 -5.757 4.785 5.665 315 HD3 LYS 47 2HD LYS 47 -4.104 5.385 5.806 316 HE2 LYS 47 1HE LYS 47 -6.563 7.014 6.500 317 HE3 LYS 47 2HE LYS 47 -5.600 6.129 7.682 318 HZ1 LYS 47 3HZ LYS 47 -4.090 7.733 7.696 319 HZ2 LYS 47 1HZ LYS 47 -5.144 8.677 6.762 320 HZ3 LYS 47 2HZ LYS 47 -3.957 7.729 6.003 321 H LEU 48 H LEU 48 -6.135 4.015 0.702 322 HA LEU 48 HA LEU 48 -3.869 2.693 -0.392 323 HB2 LEU 48 1HB LEU 48 -6.026 1.557 -0.066 324 HB3 LEU 48 2HB LEU 48 -6.765 2.597 -1.283 325 HG LEU 48 HG LEU 48 -5.281 1.684 -3.012 326 HD11 LEU 48 1HD1 LEU 48 -3.253 1.136 -1.990 327 HD12 LEU 48 2HD1 LEU 48 -3.961 -0.458 -2.232 328 HD13 LEU 48 3HD1 LEU 48 -4.036 0.304 -0.644 329 HD21 LEU 48 3HD2 LEU 48 -6.573 -0.515 -1.367 330 HD22 LEU 48 1HD2 LEU 48 -6.188 -0.595 -3.087 331 HD23 LEU 48 2HD2 LEU 48 -7.421 0.527 -2.511 332 H ALA 49 H ALA 49 -6.103 5.068 -1.794 333 HA ALA 49 HA ALA 49 -5.206 4.973 -4.473 334 HB1 ALA 49 3HB ALA 49 -6.121 7.224 -4.677 335 HB2 ALA 49 1HB ALA 49 -6.078 7.427 -2.926 336 HB3 ALA 49 2HB ALA 49 -7.184 6.260 -3.652 337 H GLU 50 H GLU 50 -3.941 6.785 -1.697 338 HA GLU 50 HA GLU 50 -1.913 8.202 -3.173 339 HB2 GLU 50 1HB GLU 50 -2.173 7.487 -0.241 340 HB3 GLU 50 2HB GLU 50 -0.910 8.538 -0.883 341 HG2 GLU 50 1HG GLU 50 -2.603 10.087 -1.744 342 HG3 GLU 50 2HG GLU 50 -3.889 9.018 -1.188 343 H TYR 51 H TYR 51 -2.002 5.119 -1.460 344 HA TYR 51 HA TYR 51 0.781 4.525 -1.531 345 HB2 TYR 51 1HB TYR 51 -1.742 2.908 -1.325 346 HB3 TYR 51 2HB TYR 51 -0.209 2.069 -1.555 347 HD1 TYR 51 HD1 TYR 51 -0.993 5.193 0.392 348 HD2 TYR 51 HD2 TYR 51 0.321 1.105 0.512 349 HE1 TYR 51 HE1 TYR 51 -0.483 5.429 2.796 350 HE2 TYR 51 HE2 TYR 51 0.824 1.343 2.926 351 HH TYR 51 HH TYR 51 -0.282 3.914 4.787 352 H ILE 52 H ILE 52 -1.823 3.807 -3.844 353 HA ILE 52 HA ILE 52 -0.206 2.336 -5.686 354 HB ILE 52 HB ILE 52 -2.726 3.969 -6.084 355 HG12 ILE 52 1HG1 ILE 52 -2.334 0.965 -6.010 356 HG13 ILE 52 2HG1 ILE 52 -2.774 1.914 -4.590 357 HG21 ILE 52 1HG2 ILE 52 -2.907 2.548 -8.196 358 HG22 ILE 52 2HG2 ILE 52 -1.203 2.156 -7.968 359 HG23 ILE 52 3HG2 ILE 52 -1.697 3.829 -8.237 360 HD11 ILE 52 3HD1 ILE 52 -4.752 2.792 -5.880 361 HD12 ILE 52 1HD1 ILE 52 -4.815 1.057 -5.571 362 HD13 ILE 52 2HD1 ILE 52 -4.351 1.653 -7.164 363 H SER 53 H SER 53 -1.025 5.788 -5.449 364 HA SER 53 HA SER 53 0.117 6.774 -7.796 365 HB2 SER 53 1HB SER 53 0.365 8.014 -5.042 366 HB3 SER 53 2HB SER 53 0.466 8.865 -6.580 367 HG SER 53 HG SER 53 -1.640 8.802 -6.740 368 H LEU 54 H LEU 54 1.802 6.407 -4.660 369 HA LEU 54 HA LEU 54 4.405 6.988 -5.711 370 HB2 LEU 54 1HB LEU 54 3.367 5.667 -3.217 371 HB3 LEU 54 2HB LEU 54 5.095 5.669 -3.548 372 HG LEU 54 HG LEU 54 4.301 7.599 -2.127 373 HD11 LEU 54 1HD1 LEU 54 5.880 9.030 -3.004 374 HD12 LEU 54 2HD1 LEU 54 5.303 8.849 -4.658 375 HD13 LEU 54 3HD1 LEU 54 6.301 7.595 -3.929 376 HD21 LEU 54 3HD2 LEU 54 2.132 7.793 -3.493 377 HD22 LEU 54 1HD2 LEU 54 3.091 8.666 -4.685 378 HD23 LEU 54 2HD2 LEU 54 2.921 9.303 -3.051 379 H ALA 55 H ALA 55 2.600 3.987 -5.250 380 HA ALA 55 HA ALA 55 4.636 2.117 -5.796 381 HB1 ALA 55 3HB ALA 55 2.891 0.575 -6.213 382 HB2 ALA 55 1HB ALA 55 1.814 1.827 -6.831 383 HB3 ALA 55 2HB ALA 55 2.175 1.741 -5.105 384 H LYS 56 H LYS 56 2.453 3.786 -8.060 385 HA LYS 56 HA LYS 56 3.497 2.608 -10.442 386 HB2 LYS 56 1HB LYS 56 2.078 5.220 -9.902 387 HB3 LYS 56 2HB LYS 56 2.506 4.686 -11.527 388 HG2 LYS 56 1HG LYS 56 1.199 2.623 -11.200 389 HG3 LYS 56 2HG LYS 56 0.786 3.141 -9.565 390 HD2 LYS 56 1HD LYS 56 -0.389 5.093 -10.433 391 HD3 LYS 56 2HD LYS 56 0.097 4.687 -12.079 392 HE2 LYS 56 1HE LYS 56 -1.512 2.807 -10.340 393 HE3 LYS 56 2HE LYS 56 -2.260 3.972 -11.432 394 HZ1 LYS 56 3HZ LYS 56 -2.091 2.145 -12.774 395 HZ2 LYS 56 1HZ LYS 56 -0.654 1.598 -12.061 396 HZ3 LYS 56 2HZ LYS 56 -0.621 2.915 -13.133 397 H GLN 57 H GLN 57 4.360 5.569 -8.681 398 HA GLN 57 HA GLN 57 6.262 6.558 -10.566 399 HB2 GLN 57 1HB GLN 57 6.088 6.867 -7.557 400 HB3 GLN 57 2HB GLN 57 7.180 7.795 -8.582 401 HG2 GLN 57 1HG GLN 57 4.170 7.733 -8.928 402 HG3 GLN 57 2HG GLN 57 5.040 8.995 -8.058 403 HE21 GLN 57 2HE2 GLN 57 3.567 8.689 -10.893 404 HE22 GLN 57 1HE2 GLN 57 4.626 9.532 -11.918 405 H VAL 58 H VAL 58 6.683 4.506 -7.674 406 HA VAL 58 HA VAL 58 9.514 4.188 -7.983 407 HB VAL 58 HB VAL 58 7.435 2.468 -6.604 408 HG11 VAL 58 1HG1 VAL 58 9.499 1.614 -5.351 409 HG12 VAL 58 2HG1 VAL 58 10.454 2.304 -6.663 410 HG13 VAL 58 3HG1 VAL 58 9.289 1.024 -6.999 411 HG21 VAL 58 3HG2 VAL 58 7.892 4.868 -5.821 412 HG22 VAL 58 1HG2 VAL 58 9.507 4.307 -5.384 413 HG23 VAL 58 2HG2 VAL 58 8.088 3.601 -4.610 414 H TYR 59 H TYR 59 6.754 2.162 -9.015 415 HA TYR 59 HA TYR 59 8.527 0.942 -11.075 416 HB2 TYR 59 1HB TYR 59 8.563 -0.633 -9.230 417 HB3 TYR 59 2HB TYR 59 6.804 -0.588 -9.104 418 HD1 TYR 59 HD1 TYR 59 9.581 -1.389 -11.484 419 HD2 TYR 59 HD2 TYR 59 5.497 -2.080 -10.365 420 HE1 TYR 59 HE1 TYR 59 9.425 -3.195 -13.175 421 HE2 TYR 59 HE2 TYR 59 5.336 -3.887 -12.058 422 HH TYR 59 HH TYR 59 6.942 -4.278 -14.480 423 H ALA 60 H ALA 60 7.567 1.229 -12.978 424 HA ALA 60 HA ALA 60 4.808 2.017 -13.248 425 HB1 ALA 60 3HB ALA 60 6.729 2.662 -14.773 426 HB2 ALA 60 1HB ALA 60 5.258 2.134 -15.591 427 HB3 ALA 60 2HB ALA 60 6.630 1.034 -15.447 428 H ASN 61 H ASN 61 3.134 0.873 -14.382 429 HA ASN 61 HA ASN 61 1.801 -0.991 -14.806 430 HB2 ASN 61 1HB ASN 61 4.413 -2.459 -15.280 431 HB3 ASN 61 2HB ASN 61 2.826 -2.865 -15.924 432 HD21 ASN 61 2HD2 ASN 61 1.987 -0.200 -16.671 433 HD22 ASN 61 1HD2 ASN 61 2.974 0.315 -17.953 434 H VAL 62 H VAL 62 2.616 -0.441 -12.102 435 HA VAL 62 HA VAL 62 3.365 -2.897 -10.783 436 HB VAL 62 HB VAL 62 3.714 -0.628 -9.798 437 HG11 VAL 62 1HG1 VAL 62 1.414 0.192 -10.565 438 HG12 VAL 62 2HG1 VAL 62 1.887 0.635 -8.925 439 HG13 VAL 62 3HG1 VAL 62 0.751 -0.688 -9.188 440 HG21 VAL 62 3HG2 VAL 62 3.236 -1.303 -7.549 441 HG22 VAL 62 1HG2 VAL 62 3.556 -2.785 -8.447 442 HG23 VAL 62 2HG2 VAL 62 1.896 -2.323 -8.068 443 H GLU 63 H GLU 63 2.090 -4.487 -9.932 444 HA GLU 63 HA GLU 63 -0.857 -4.285 -10.437 445 HB2 GLU 63 1HB GLU 63 0.332 -6.039 -11.737 446 HB3 GLU 63 2HB GLU 63 0.874 -6.761 -10.221 447 HG2 GLU 63 1HG GLU 63 -1.439 -7.140 -9.528 448 HG3 GLU 63 2HG GLU 63 -2.029 -6.331 -10.980 449 H TYR 64 H TYR 64 -2.265 -4.913 -8.777 450 HA TYR 64 HA TYR 64 -1.132 -5.885 -6.236 451 HB2 TYR 64 1HB TYR 64 -2.122 -4.049 -4.930 452 HB3 TYR 64 2HB TYR 64 -0.920 -3.436 -6.061 453 HD1 TYR 64 HD1 TYR 64 -1.586 -2.175 -8.061 454 HD2 TYR 64 HD2 TYR 64 -4.503 -3.609 -5.251 455 HE1 TYR 64 HE1 TYR 64 -3.285 -0.668 -9.056 456 HE2 TYR 64 HE2 TYR 64 -6.203 -2.102 -6.248 457 HH TYR 64 HH TYR 64 -5.341 0.315 -8.635 458 H GLU 65 H GLU 65 -2.861 -6.433 -4.675 459 HA GLU 65 HA GLU 65 -5.564 -6.712 -5.869 460 HB2 GLU 65 1HB GLU 65 -4.015 -8.816 -6.218 461 HB3 GLU 65 2HB GLU 65 -4.312 -9.099 -4.505 462 HG2 GLU 65 1HG GLU 65 -6.529 -8.695 -6.542 463 HG3 GLU 65 2HG GLU 65 -5.930 -10.275 -6.045 464 H VAL 66 H VAL 66 -7.206 -6.878 -4.295 465 HA VAL 66 HA VAL 66 -6.326 -6.314 -1.491 466 HB VAL 66 HB VAL 66 -8.706 -5.333 -3.066 467 HG11 VAL 66 1HG1 VAL 66 -9.606 -5.789 -0.918 468 HG12 VAL 66 2HG1 VAL 66 -9.178 -4.080 -0.862 469 HG13 VAL 66 3HG1 VAL 66 -8.129 -5.276 -0.100 470 HG21 VAL 66 3HG2 VAL 66 -6.711 -4.039 -3.464 471 HG22 VAL 66 1HG2 VAL 66 -6.322 -4.004 -1.744 472 HG23 VAL 66 2HG2 VAL 66 -7.717 -3.114 -2.351 473 H ALA 67 H ALA 67 -6.993 -7.684 0.039 474 HA ALA 67 HA ALA 67 -8.663 -9.958 -0.735 475 HB1 ALA 67 3HB ALA 67 -6.963 -10.708 0.654 476 HB2 ALA 67 1HB ALA 67 -8.217 -10.428 1.860 477 HB3 ALA 67 2HB ALA 67 -6.956 -9.225 1.609 478 HA PRO 68 HA PRO 68 -12.673 -8.677 0.675 479 HB2 PRO 68 1HB PRO 68 -12.403 -10.844 2.749 480 HB3 PRO 68 2HB PRO 68 -13.778 -10.472 1.688 481 HG2 PRO 68 1HG PRO 68 -12.133 -12.485 1.134 482 HG3 PRO 68 2HG PRO 68 -12.797 -11.460 -0.154 483 HD2 PRO 68 1HD PRO 68 -10.015 -11.562 0.903 484 HD3 PRO 68 2HD PRO 68 -10.606 -11.055 -0.695 485 H VAL 69 H VAL 69 -13.401 -7.135 2.099 486 HA VAL 69 HA VAL 69 -11.914 -6.765 4.675 487 HB VAL 69 HB VAL 69 -12.914 -4.690 2.712 488 HG11 VAL 69 1HG1 VAL 69 -13.418 -3.785 4.850 489 HG12 VAL 69 2HG1 VAL 69 -11.849 -3.102 4.429 490 HG13 VAL 69 3HG1 VAL 69 -11.948 -4.449 5.562 491 HG21 VAL 69 3HG2 VAL 69 -10.164 -5.378 3.791 492 HG22 VAL 69 1HG2 VAL 69 -10.519 -4.030 2.712 493 HG23 VAL 69 2HG2 VAL 69 -10.742 -5.687 2.154 494 H ALA 70 H ALA 70 -13.163 -6.577 6.453 495 HA ALA 70 HA ALA 70 -16.011 -7.051 6.276 496 HB1 ALA 70 3HB ALA 70 -14.318 -7.716 8.142 497 HB2 ALA 70 1HB ALA 70 -15.944 -7.228 8.612 498 HB3 ALA 70 2HB ALA 70 -14.607 -6.089 8.757 499 H ASP 71 H ASP 71 -15.168 -4.641 4.947 500 HA ASP 71 HA ASP 71 -15.748 -2.395 4.703 501 HB2 ASP 71 1HB ASP 71 -17.989 -3.432 6.450 502 HB3 ASP 71 2HB ASP 71 -17.975 -1.804 5.770 503 H ASN 72 H ASN 72 -16.836 -2.934 8.027 504 HA ASN 72 HA ASN 72 -15.364 -0.553 8.930 505 HB2 ASN 72 1HB ASN 72 -17.684 -1.028 9.687 506 HB3 ASN 72 2HB ASN 72 -17.104 -2.508 10.450 507 HD21 ASN 72 2HD2 ASN 72 -17.505 -1.826 12.650 508 HD22 ASN 72 1HD2 ASN 72 -16.646 -0.554 13.378 509 H ALA 73 H ALA 73 -14.193 -3.294 8.072 510 HA ALA 73 HA ALA 73 -13.078 -4.681 10.243 511 HB1 ALA 73 3HB ALA 73 -11.395 -4.083 7.813 512 HB2 ALA 73 1HB ALA 73 -12.862 -5.043 7.638 513 HB3 ALA 73 2HB ALA 73 -11.569 -5.597 8.701 514 H THR 74 H THR 74 -12.693 -1.423 9.519 515 HA THR 74 HA THR 74 -11.304 0.240 10.376 516 HB THR 74 HB THR 74 -10.426 -0.069 12.543 517 HG1 THR 74 HG1 THR 74 -10.459 -2.866 12.277 518 HG21 THR 74 3HG2 THR 74 -12.453 -2.292 12.515 519 HG22 THR 74 1HG2 THR 74 -12.941 -0.622 12.210 520 HG23 THR 74 2HG2 THR 74 -12.189 -1.056 13.742 521 H GLU 75 H GLU 75 -10.172 -2.517 8.873 522 HA GLU 75 HA GLU 75 -7.608 -1.184 8.274 523 HB2 GLU 75 1HB GLU 75 -6.256 -3.126 8.789 524 HB3 GLU 75 2HB GLU 75 -7.167 -2.694 10.234 525 HG2 GLU 75 1HG GLU 75 -8.877 -4.417 9.602 526 HG3 GLU 75 2HG GLU 75 -7.836 -4.908 8.269 527 H LEU 76 H LEU 76 -6.714 -1.878 6.289 528 HA LEU 76 HA LEU 76 -8.477 -3.672 4.655 529 HB2 LEU 76 1HB LEU 76 -8.695 -1.301 4.011 530 HB3 LEU 76 2HB LEU 76 -6.960 -1.212 3.747 531 HG LEU 76 HG LEU 76 -8.292 -3.458 2.317 532 HD11 LEU 76 1HD1 LEU 76 -10.049 -1.750 2.098 533 HD12 LEU 76 2HD1 LEU 76 -9.241 -2.019 0.555 534 HD13 LEU 76 3HD1 LEU 76 -8.859 -0.588 1.514 535 HD21 LEU 76 3HD2 LEU 76 -6.437 -1.226 1.414 536 HD22 LEU 76 1HD2 LEU 76 -6.853 -2.663 0.480 537 HD23 LEU 76 2HD2 LEU 76 -5.921 -2.817 1.967 538 H HIS 77 H HIS 77 -7.456 -5.366 3.777 539 HA HIS 77 HA HIS 77 -4.499 -5.523 4.010 540 HB2 HIS 77 1HB HIS 77 -6.615 -7.616 3.447 541 HB3 HIS 77 2HB HIS 77 -4.884 -7.946 3.536 542 HD1 HIS 77 HD1 HIS 77 -3.721 -7.355 5.894 543 HD2 HIS 77 HD2 HIS 77 -7.886 -7.506 5.926 544 HE1 HIS 77 HE1 HIS 77 -4.412 -7.516 8.325 545 H ALA 78 H ALA 78 -3.218 -5.413 2.226 546 HA ALA 78 HA ALA 78 -4.347 -6.041 -0.433 547 HB1 ALA 78 3HB ALA 78 -4.609 -3.527 0.109 548 HB2 ALA 78 1HB ALA 78 -3.822 -3.949 -1.410 549 HB3 ALA 78 2HB ALA 78 -2.852 -3.450 -0.024 550 H ARG 79 H ARG 79 -2.714 -6.461 -2.018 551 HA ARG 79 HA ARG 79 0.059 -6.759 -0.926 552 HB2 ARG 79 1HB ARG 79 -1.553 -8.751 -2.545 553 HB3 ARG 79 2HB ARG 79 0.181 -8.882 -2.273 554 HG2 ARG 79 1HG ARG 79 -0.195 -8.923 0.166 555 HG3 ARG 79 2HG ARG 79 -1.933 -8.788 -0.103 556 HD2 ARG 79 1HD ARG 79 -1.913 -10.919 -1.344 557 HD3 ARG 79 2HD ARG 79 -0.174 -11.054 -1.088 558 HE ARG 79 HE ARG 79 -1.413 -10.751 1.449 559 HH11 ARG 79 1HH2 ARG 79 -1.220 -12.948 -1.204 560 HH12 ARG 79 2HH2 ARG 79 -1.458 -14.357 -0.225 561 HH21 ARG 79 1HH1 ARG 79 -1.723 -12.579 2.736 562 HH22 ARG 79 2HH1 ARG 79 -1.743 -14.149 2.005 563 H PHE 80 H PHE 80 1.712 -6.449 -2.449 564 HA PHE 80 HA PHE 80 0.867 -5.432 -5.141 565 HB2 PHE 80 1HB PHE 80 2.847 -4.312 -3.153 566 HB3 PHE 80 2HB PHE 80 2.936 -3.912 -4.869 567 HD1 PHE 80 HD2 PHE 80 0.513 -4.010 -2.010 568 HD2 PHE 80 HD1 PHE 80 1.633 -2.152 -5.717 569 HE1 PHE 80 HE2 PHE 80 -1.277 -2.319 -1.704 570 HE2 PHE 80 HE1 PHE 80 -0.158 -0.465 -5.414 571 HZ PHE 80 HZ PHE 80 -1.611 -0.547 -3.407 572 H LYS 81 H LYS 81 2.314 -5.881 -6.848 573 HA LYS 81 HA LYS 81 4.241 -8.092 -6.272 574 HB2 LYS 81 1HB LYS 81 2.397 -8.576 -7.867 575 HB3 LYS 81 2HB LYS 81 2.968 -7.260 -8.893 576 HG2 LYS 81 1HG LYS 81 5.128 -8.380 -9.182 577 HG3 LYS 81 2HG LYS 81 4.622 -9.674 -8.095 578 HD2 LYS 81 1HD LYS 81 2.782 -10.249 -9.644 579 HD3 LYS 81 2HD LYS 81 3.305 -8.964 -10.734 580 HE2 LYS 81 1HE LYS 81 4.203 -11.115 -11.494 581 HE3 LYS 81 2HE LYS 81 5.518 -10.075 -10.947 582 HZ1 LYS 81 3HZ LYS 81 5.984 -11.427 -9.249 583 HZ2 LYS 81 1HZ LYS 81 5.106 -12.596 -10.107 584 HZ3 LYS 81 2HZ LYS 81 4.350 -11.705 -8.874 585 H PHE 82 H PHE 82 6.350 -7.599 -6.377 586 HA PHE 82 HA PHE 82 7.216 -5.282 -8.066 587 HB2 PHE 82 1HB PHE 82 8.255 -6.139 -5.346 588 HB3 PHE 82 2HB PHE 82 8.978 -4.880 -6.348 589 HD1 PHE 82 HD1 PHE 82 7.169 -3.107 -7.295 590 HD2 PHE 82 HD2 PHE 82 6.742 -5.428 -3.702 591 HE1 PHE 82 HE1 PHE 82 5.541 -1.457 -6.424 592 HE2 PHE 82 HE2 PHE 82 5.109 -3.772 -2.833 593 HZ PHE 82 HZ PHE 82 4.510 -1.787 -4.194 594 H GLU 83 H GLU 83 9.098 -5.569 -9.234 595 HA GLU 83 HA GLU 83 9.804 -8.254 -9.948 596 HB2 GLU 83 1HB GLU 83 10.018 -6.302 -11.478 597 HB3 GLU 83 2HB GLU 83 11.331 -5.688 -10.473 598 HG2 GLU 83 1HG GLU 83 12.650 -7.706 -10.912 599 HG3 GLU 83 2HG GLU 83 11.329 -8.383 -11.863 600 H VAL 84 H VAL 84 11.115 -5.964 -7.616 601 HA VAL 84 HA VAL 84 13.088 -8.062 -6.787 602 HB VAL 84 HB VAL 84 14.699 -6.265 -6.266 603 HG11 VAL 84 1HG1 VAL 84 13.634 -6.383 -9.098 604 HG12 VAL 84 2HG1 VAL 84 14.949 -7.333 -8.405 605 HG13 VAL 84 3HG1 VAL 84 15.155 -5.602 -8.670 606 HG21 VAL 84 3HG2 VAL 84 12.524 -4.524 -7.459 607 HG22 VAL 84 1HG2 VAL 84 14.200 -3.993 -7.322 608 HG23 VAL 84 2HG2 VAL 84 13.275 -4.377 -5.873 609 H SER 85 H SER 85 13.524 -8.164 -4.577 610 HA SER 85 HA SER 85 11.350 -7.413 -2.826 611 HB2 SER 85 1HB SER 85 14.070 -8.642 -2.372 612 HB3 SER 85 2HB SER 85 12.941 -8.330 -1.058 613 HG SER 85 HG SER 85 11.508 -9.506 -2.849 614 H ALA 86 H ALA 86 14.548 -6.107 -3.526 615 HA ALA 86 HA ALA 86 14.909 -4.409 -1.307 616 HB1 ALA 86 3HB ALA 86 16.375 -3.120 -2.702 617 HB2 ALA 86 1HB ALA 86 15.539 -3.640 -4.164 618 HB3 ALA 86 2HB ALA 86 16.515 -4.791 -3.249 619 H GLU 87 H GLU 87 12.888 -4.034 -4.165 620 HA GLU 87 HA GLU 87 12.147 -1.299 -3.751 621 HB2 GLU 87 1HB GLU 87 11.779 -2.565 -5.874 622 HB3 GLU 87 2HB GLU 87 10.533 -3.508 -5.054 623 HG2 GLU 87 1HG GLU 87 9.268 -1.446 -4.587 624 HG3 GLU 87 2HG GLU 87 10.513 -0.498 -5.398 625 H LYS 88 H LYS 88 10.970 -4.350 -2.451 626 HA LYS 88 HA LYS 88 8.519 -3.396 -1.331 627 HB2 LYS 88 1HB LYS 88 9.148 -5.806 -1.546 628 HB3 LYS 88 2HB LYS 88 10.336 -5.573 -0.266 629 HG2 LYS 88 1HG LYS 88 8.570 -4.921 1.302 630 HG3 LYS 88 2HG LYS 88 7.359 -5.080 0.030 631 HD2 LYS 88 1HD LYS 88 7.919 -7.478 -0.201 632 HD3 LYS 88 2HD LYS 88 9.113 -7.318 1.086 633 HE2 LYS 88 1HE LYS 88 7.356 -6.665 2.667 634 HE3 LYS 88 2HE LYS 88 6.147 -6.763 1.387 635 HZ1 LYS 88 3HZ LYS 88 7.683 -9.148 1.532 636 HZ2 LYS 88 1HZ LYS 88 6.004 -8.946 1.655 637 HZ3 LYS 88 2HZ LYS 88 6.980 -8.799 3.039 638 H LEU 89 H LEU 89 11.818 -3.607 0.005 639 HA LEU 89 HA LEU 89 11.192 -2.653 2.621 640 HB2 LEU 89 1HB LEU 89 13.714 -2.422 0.959 641 HB3 LEU 89 2HB LEU 89 13.631 -2.006 2.667 642 HG LEU 89 HG LEU 89 12.887 -4.726 1.550 643 HD11 LEU 89 1HD1 LEU 89 15.297 -4.167 1.203 644 HD12 LEU 89 2HD1 LEU 89 15.060 -5.501 2.333 645 HD13 LEU 89 3HD1 LEU 89 15.453 -3.892 2.938 646 HD21 LEU 89 3HD2 LEU 89 11.846 -4.606 3.640 647 HD22 LEU 89 1HD2 LEU 89 13.076 -3.535 4.313 648 HD23 LEU 89 2HD2 LEU 89 13.419 -5.248 4.092 649 H ILE 90 H ILE 90 12.373 -0.876 -0.243 650 HA ILE 90 HA ILE 90 12.198 1.712 1.026 651 HB ILE 90 HB ILE 90 12.519 0.751 -1.816 652 HG12 ILE 90 1HG1 ILE 90 14.712 1.747 -1.601 653 HG13 ILE 90 2HG1 ILE 90 14.270 2.515 -0.076 654 HG21 ILE 90 1HG2 ILE 90 11.997 3.568 -0.852 655 HG22 ILE 90 2HG2 ILE 90 11.232 2.707 -2.188 656 HG23 ILE 90 3HG2 ILE 90 12.900 3.253 -2.332 657 HD11 ILE 90 3HD1 ILE 90 14.185 0.429 1.069 658 HD12 ILE 90 1HD1 ILE 90 15.651 0.360 0.093 659 HD13 ILE 90 2HD1 ILE 90 14.199 -0.483 -0.437 660 H PHE 91 H PHE 91 10.047 -0.107 -1.145 661 HA PHE 91 HA PHE 91 8.095 1.896 -1.554 662 HB2 PHE 91 1HB PHE 91 8.066 -0.217 -2.785 663 HB3 PHE 91 2HB PHE 91 7.750 -1.104 -1.293 664 HD1 PHE 91 HD1 PHE 91 6.372 1.769 -3.278 665 HD2 PHE 91 HD2 PHE 91 5.527 -1.590 -0.736 666 HE1 PHE 91 HE1 PHE 91 3.942 2.164 -3.562 667 HE2 PHE 91 HE2 PHE 91 3.100 -1.192 -1.022 668 HZ PHE 91 HZ PHE 91 2.304 0.684 -2.432 669 H GLU 92 H GLU 92 8.358 -0.545 1.018 670 HA GLU 92 HA GLU 92 6.009 0.319 2.435 671 HB2 GLU 92 1HB GLU 92 8.450 -1.255 3.270 672 HB3 GLU 92 2HB GLU 92 7.087 -0.954 4.348 673 HG2 GLU 92 1HG GLU 92 5.566 -2.055 2.773 674 HG3 GLU 92 2HG GLU 92 6.892 -2.300 1.638 675 H LEU 93 H LEU 93 9.403 1.240 2.491 676 HA LEU 93 HA LEU 93 9.368 2.759 4.903 677 HB2 LEU 93 1HB LEU 93 11.444 2.109 3.701 678 HB3 LEU 93 2HB LEU 93 11.018 3.214 2.399 679 HG LEU 93 HG LEU 93 11.077 5.113 3.997 680 HD11 LEU 93 1HD1 LEU 93 10.588 4.284 6.122 681 HD12 LEU 93 2HD1 LEU 93 12.334 4.464 6.232 682 HD13 LEU 93 3HD1 LEU 93 11.634 2.875 5.929 683 HD21 LEU 93 3HD2 LEU 93 13.112 4.395 2.705 684 HD22 LEU 93 1HD2 LEU 93 13.615 3.449 4.107 685 HD23 LEU 93 2HD2 LEU 93 13.498 5.205 4.223 686 H LYS 94 H LYS 94 8.708 3.660 1.533 687 HA LYS 94 HA LYS 94 8.277 6.446 2.026 688 HB2 LYS 94 1HB LYS 94 7.184 4.627 -0.133 689 HB3 LYS 94 2HB LYS 94 7.094 6.385 -0.170 690 HG2 LYS 94 1HG LYS 94 9.701 4.856 0.059 691 HG3 LYS 94 2HG LYS 94 9.022 5.379 -1.480 692 HD2 LYS 94 1HD LYS 94 8.954 7.745 -0.401 693 HD3 LYS 94 2HD LYS 94 10.067 7.076 0.791 694 HE2 LYS 94 1HE LYS 94 11.613 6.419 -1.012 695 HE3 LYS 94 2HE LYS 94 10.507 7.098 -2.206 696 HZ1 LYS 94 3HZ LYS 94 12.458 8.429 -0.708 697 HZ2 LYS 94 1HZ LYS 94 10.944 9.014 -0.216 698 HZ3 LYS 94 2HZ LYS 94 11.387 9.081 -1.855 699 H THR 95 H THR 95 6.056 3.668 1.942 700 HA THR 95 HA THR 95 3.672 5.209 2.349 701 HB THR 95 HB THR 95 2.756 2.989 3.189 702 HG1 THR 95 HG1 THR 95 4.125 1.236 2.977 703 HG21 THR 95 3HG2 THR 95 2.658 3.716 0.812 704 HG22 THR 95 1HG2 THR 95 2.817 1.968 0.975 705 HG23 THR 95 2HG2 THR 95 4.220 2.943 0.539 706 H ARG 96 H ARG 96 5.876 3.555 4.596 707 HA ARG 96 HA ARG 96 4.395 4.109 6.973 708 HB2 ARG 96 1HB ARG 96 6.398 2.532 6.689 709 HB3 ARG 96 2HB ARG 96 7.409 3.971 6.797 710 HG2 ARG 96 1HG ARG 96 7.355 3.364 9.037 711 HG3 ARG 96 2HG ARG 96 5.959 4.437 8.985 712 HD2 ARG 96 1HD ARG 96 5.345 2.375 10.138 713 HD3 ARG 96 2HD ARG 96 4.497 2.440 8.595 714 HE ARG 96 HE ARG 96 7.023 1.046 8.367 715 HH11 ARG 96 1HH2 ARG 96 3.729 0.817 9.364 716 HH12 ARG 96 2HH2 ARG 96 3.648 -0.900 9.150 717 HH21 ARG 96 1HH1 ARG 96 6.932 -1.186 8.081 718 HH22 ARG 96 2HH1 ARG 96 5.462 -2.035 8.423 719 H ALA 97 H ALA 97 7.006 5.902 5.349 720 HA ALA 97 HA ALA 97 7.187 8.024 7.252 721 HB1 ALA 97 3HB ALA 97 8.940 7.799 5.638 722 HB2 ALA 97 1HB ALA 97 8.114 9.306 5.245 723 HB3 ALA 97 2HB ALA 97 7.797 7.855 4.295 724 H LEU 98 H LEU 98 5.195 7.552 4.371 725 HA LEU 98 HA LEU 98 3.967 10.135 4.348 726 HB2 LEU 98 1HB LEU 98 3.878 8.555 2.460 727 HB3 LEU 98 2HB LEU 98 2.907 7.450 3.426 728 HG LEU 98 HG LEU 98 1.821 10.222 3.269 729 HD11 LEU 98 1HD1 LEU 98 2.663 10.001 0.976 730 HD12 LEU 98 2HD1 LEU 98 0.902 9.895 0.993 731 HD13 LEU 98 3HD1 LEU 98 1.870 8.432 0.819 732 HD21 LEU 98 3HD2 LEU 98 0.444 7.614 2.578 733 HD22 LEU 98 1HD2 LEU 98 -0.270 9.096 3.211 734 HD23 LEU 98 2HD2 LEU 98 0.726 8.082 4.251 735 H ALA 99 H ALA 99 3.068 7.060 5.865 736 HA ALA 99 HA ALA 99 0.597 7.961 7.006 737 HB1 ALA 99 3HB ALA 99 2.487 5.761 7.880 738 HB2 ALA 99 1HB ALA 99 1.133 5.582 6.761 739 HB3 ALA 99 2HB ALA 99 0.833 5.960 8.457 740 H ARG 100 H ARG 100 3.943 7.993 8.144 741 HA ARG 100 HA ARG 100 3.238 8.936 10.810 742 HB2 ARG 100 1HB ARG 100 5.857 8.756 9.302 743 HB3 ARG 100 2HB ARG 100 5.736 9.344 10.961 744 HG2 ARG 100 1HG ARG 100 4.752 7.209 11.669 745 HG3 ARG 100 2HG ARG 100 4.796 6.621 10.006 746 HD2 ARG 100 1HD ARG 100 7.250 6.810 9.989 747 HD3 ARG 100 2HD ARG 100 7.222 7.428 11.640 748 HE ARG 100 HE ARG 100 5.868 4.960 11.684 749 HH11 ARG 100 1HH2 ARG 100 8.993 6.220 10.934 750 HH12 ARG 100 2HH2 ARG 100 9.831 4.785 11.420 751 HH21 ARG 100 1HH1 ARG 100 6.948 3.087 12.322 752 HH22 ARG 100 2HH1 ARG 100 8.675 3.012 12.206 753 H LEU 101 H LEU 101 3.367 10.356 7.771 754 HA LEU 101 HA LEU 101 3.562 12.580 7.022 755 HB2 LEU 101 1HB LEU 101 2.079 12.860 9.647 756 HB3 LEU 101 2HB LEU 101 2.208 14.149 8.457 757 HG LEU 101 HG LEU 101 1.097 11.399 7.834 758 HD11 LEU 101 1HD1 LEU 101 -1.136 12.484 7.942 759 HD12 LEU 101 2HD1 LEU 101 -0.375 13.955 8.548 760 HD13 LEU 101 3HD1 LEU 101 -0.325 12.476 9.507 761 HD21 LEU 101 3HD2 LEU 101 0.005 12.933 5.963 762 HD22 LEU 101 1HD2 LEU 101 1.648 12.337 5.766 763 HD23 LEU 101 2HD2 LEU 101 1.368 13.989 6.314 764 H GLU 102 H GLU 102 3.606 13.629 10.359 765 HA GLU 102 HA GLU 102 5.732 15.420 10.053 766 HB2 GLU 102 1HB GLU 102 4.817 13.958 12.543 767 HB3 GLU 102 2HB GLU 102 5.893 15.357 12.544 768 HG2 GLU 102 1HG GLU 102 3.106 15.338 11.347 769 HG3 GLU 102 2HG GLU 102 3.502 15.977 12.942 770 H HIS 103 H HIS 103 7.919 15.340 10.361 771 HA HIS 103 HA HIS 103 9.222 12.789 9.939 772 HB2 HIS 103 1HB HIS 103 10.329 15.552 10.491 773 HB3 HIS 103 2HB HIS 103 11.296 14.159 10.004 774 HD1 HIS 103 HD1 HIS 103 10.564 13.052 7.629 775 HD2 HIS 103 HD2 HIS 103 9.180 16.915 8.362 776 HE1 HIS 103 HE1 HIS 103 9.842 13.991 5.390 777 H HIS 104 H HIS 104 10.548 11.658 11.336 778 HA HIS 104 HA HIS 104 11.312 10.823 13.363 779 HB2 HIS 104 1HB HIS 104 11.184 13.692 14.336 780 HB3 HIS 104 2HB HIS 104 12.190 12.391 14.966 781 HD1 HIS 104 HD1 HIS 104 14.025 11.410 13.219 782 HD2 HIS 104 HD2 HIS 104 12.350 15.099 12.235 783 HE1 HIS 104 HE1 HIS 104 15.548 12.449 11.482 784 H HIS 105 H HIS 105 9.315 9.701 13.695 785 HA HIS 105 HA HIS 105 7.118 10.924 15.144 786 HB2 HIS 105 1HB HIS 105 6.965 8.903 13.596 787 HB3 HIS 105 2HB HIS 105 7.721 7.969 14.887 788 HD1 HIS 105 HD1 HIS 105 4.731 10.308 14.476 789 HD2 HIS 105 HD2 HIS 105 5.880 6.959 16.678 790 HE1 HIS 105 HE1 HIS 105 2.727 9.649 15.875 791 H HIS 106 H HIS 106 10.188 9.902 16.045 792 HA HIS 106 HA HIS 106 9.587 8.750 18.620 793 HB2 HIS 106 1HB HIS 106 12.120 10.027 17.553 794 HB3 HIS 106 2HB HIS 106 12.008 9.128 19.068 795 HD1 HIS 106 HD1 HIS 106 10.750 6.619 18.630 796 HD2 HIS 106 HD2 HIS 106 12.879 8.357 15.496 797 HE1 HIS 106 HE1 HIS 106 11.287 4.751 17.006 798 H HIS 107 H HIS 107 9.303 9.740 20.572 799 HA HIS 107 HA HIS 107 8.921 12.655 20.570 800 HB2 HIS 107 1HB HIS 107 8.449 10.501 22.641 801 HB3 HIS 107 2HB HIS 107 8.136 12.212 22.931 802 HD1 HIS 107 HD1 HIS 107 6.986 9.323 20.772 803 HD2 HIS 107 HD2 HIS 107 5.791 13.202 21.730 804 HE1 HIS 107 HE1 HIS 107 4.667 9.622 19.796 805 H HIS 108 H HIS 108 10.510 14.024 21.150 806 HA HIS 108 HA HIS 108 12.310 13.407 23.369 807 HB2 HIS 108 1HB HIS 108 13.280 13.553 20.506 808 HB3 HIS 108 2HB HIS 108 14.345 13.929 21.859 809 HD1 HIS 108 HD1 HIS 108 12.378 11.080 20.347 810 HD2 HIS 108 HD2 HIS 108 15.201 11.695 23.352 811 HE1 HIS 108 HE1 HIS 108 13.140 8.783 21.095 Start of MODEL 16 1 H1 MET 1 1H MET 1 8.520 -26.049 18.185 2 H2 MET 1 2H MET 1 7.573 -24.713 17.735 3 H3 MET 1 3H MET 1 7.732 -26.038 16.684 4 HA MET 1 HA MET 1 5.693 -26.490 17.554 5 HB2 MET 1 1HB MET 1 7.662 -27.671 19.539 6 HB3 MET 1 2HB MET 1 5.996 -28.212 19.327 7 HG2 MET 1 1HG MET 1 7.212 -29.701 17.966 8 HG3 MET 1 2HG MET 1 6.647 -28.492 16.814 9 HE1 MET 1 3HE MET 1 8.622 -29.443 15.163 10 HE2 MET 1 1HE MET 1 8.946 -30.565 16.491 11 HE3 MET 1 2HE MET 1 10.270 -29.675 15.744 12 H SER 2 H SER 2 4.089 -25.620 18.748 13 HA SER 2 HA SER 2 3.126 -23.959 20.133 14 HB2 SER 2 1HB SER 2 3.053 -26.076 21.439 15 HB3 SER 2 2HB SER 2 4.595 -25.653 22.176 16 HG SER 2 HG SER 2 3.487 -24.487 23.518 17 H ASN 3 H ASN 3 5.830 -24.423 22.337 18 HA ASN 3 HA ASN 3 7.166 -22.784 23.370 19 HB2 ASN 3 1HB ASN 3 8.480 -23.356 21.377 20 HB3 ASN 3 2HB ASN 3 7.589 -22.160 20.433 21 HD21 ASN 3 2HD2 ASN 3 9.458 -20.791 20.045 22 HD22 ASN 3 1HD2 ASN 3 10.196 -19.910 21.294 23 H GLN 4 H GLN 4 7.161 -20.427 20.970 24 HA GLN 4 HA GLN 4 5.719 -18.563 22.701 25 HB2 GLN 4 1HB GLN 4 7.088 -18.270 20.017 26 HB3 GLN 4 2HB GLN 4 6.318 -16.929 20.866 27 HG2 GLN 4 1HG GLN 4 7.807 -17.262 22.789 28 HG3 GLN 4 2HG GLN 4 8.545 -18.654 21.995 29 HE21 GLN 4 2HE2 GLN 4 9.418 -15.659 22.710 30 HE22 GLN 4 1HE2 GLN 4 10.240 -15.191 21.300 31 H THR 5 H THR 5 5.393 -18.452 19.207 32 HA THR 5 HA THR 5 2.601 -17.870 19.345 33 HB THR 5 HB THR 5 4.145 -18.896 16.950 34 HG1 THR 5 HG1 THR 5 3.669 -16.199 17.569 35 HG21 THR 5 3HG2 THR 5 2.463 -17.588 15.695 36 HG22 THR 5 1HG2 THR 5 1.658 -17.179 17.210 37 HG23 THR 5 2HG2 THR 5 1.703 -18.854 16.659 38 H CYS 6 H CYS 6 0.834 -19.172 19.308 39 HA CYS 6 HA CYS 6 1.072 -21.988 18.428 40 HB2 CYS 6 1HB CYS 6 -0.067 -22.766 20.535 41 HB3 CYS 6 2HB CYS 6 1.574 -22.178 20.802 42 HG CYS 6 HG CYS 6 -0.804 -20.218 21.274 43 H VAL 7 H VAL 7 -0.237 -19.825 17.186 44 HA VAL 7 HA VAL 7 -3.135 -20.287 17.803 45 HB VAL 7 HB VAL 7 -1.720 -18.049 16.324 46 HG11 VAL 7 1HG1 VAL 7 -4.656 -18.734 16.584 47 HG12 VAL 7 2HG1 VAL 7 -3.747 -18.384 15.115 48 HG13 VAL 7 3HG1 VAL 7 -4.110 -17.090 16.256 49 HG21 VAL 7 3HG2 VAL 7 -3.464 -18.044 18.806 50 HG22 VAL 7 1HG2 VAL 7 -2.596 -16.667 18.128 51 HG23 VAL 7 2HG2 VAL 7 -1.700 -18.015 18.829 52 H GLU 8 H GLU 8 -4.309 -21.429 16.361 53 HA GLU 8 HA GLU 8 -3.902 -21.370 13.529 54 HB2 GLU 8 1HB GLU 8 -3.097 -23.680 13.189 55 HB3 GLU 8 2HB GLU 8 -1.907 -22.730 14.074 56 HG2 GLU 8 1HG GLU 8 -2.784 -23.672 16.205 57 HG3 GLU 8 2HG GLU 8 -3.892 -24.682 15.274 58 H ASN 9 H ASN 9 -5.723 -22.184 12.537 59 HA ASN 9 HA ASN 9 -7.780 -23.300 12.293 60 HB2 ASN 9 1HB ASN 9 -6.540 -25.066 13.872 61 HB3 ASN 9 2HB ASN 9 -7.650 -24.434 15.087 62 HD21 ASN 9 2HD2 ASN 9 -9.083 -26.231 15.208 63 HD22 ASN 9 1HD2 ASN 9 -10.021 -26.762 13.896 64 H GLU 10 H GLU 10 -7.122 -21.995 15.540 65 HA GLU 10 HA GLU 10 -9.864 -21.223 16.014 66 HB2 GLU 10 1HB GLU 10 -7.274 -20.319 17.301 67 HB3 GLU 10 2HB GLU 10 -8.883 -19.921 17.903 68 HG2 GLU 10 1HG GLU 10 -8.319 -21.822 19.167 69 HG3 GLU 10 2HG GLU 10 -9.290 -22.504 17.866 70 H VAL 11 H VAL 11 -10.791 -19.156 15.896 71 HA VAL 11 HA VAL 11 -11.199 -17.052 14.971 72 HB VAL 11 HB VAL 11 -8.190 -16.708 14.923 73 HG11 VAL 11 1HG1 VAL 11 -10.525 -14.794 15.188 74 HG12 VAL 11 2HG1 VAL 11 -9.461 -14.960 13.791 75 HG13 VAL 11 3HG1 VAL 11 -8.828 -14.332 15.313 76 HG21 VAL 11 3HG2 VAL 11 -10.118 -16.224 17.218 77 HG22 VAL 11 1HG2 VAL 11 -8.393 -15.856 17.218 78 HG23 VAL 11 2HG2 VAL 11 -8.936 -17.531 17.148 79 H CYS 12 H CYS 12 -8.107 -17.943 13.394 80 HA CYS 12 HA CYS 12 -9.015 -17.049 10.821 81 HB2 CYS 12 1HB CYS 12 -6.611 -17.267 11.636 82 HB3 CYS 12 2HB CYS 12 -6.761 -18.997 11.328 83 HG CYS 12 HG CYS 12 -6.660 -16.787 9.165 84 H GLU 13 H GLU 13 -10.001 -18.146 9.185 85 HA GLU 13 HA GLU 13 -11.560 -20.428 9.622 86 HB2 GLU 13 1HB GLU 13 -10.421 -19.301 7.056 87 HB3 GLU 13 2HB GLU 13 -11.622 -20.593 7.097 88 HG2 GLU 13 1HG GLU 13 -13.184 -19.156 8.299 89 HG3 GLU 13 2HG GLU 13 -11.976 -17.874 8.392 90 H ALA 14 H ALA 14 -11.309 -22.615 9.291 91 HA ALA 14 HA ALA 14 -8.552 -23.644 9.202 92 HB1 ALA 14 3HB ALA 14 -11.095 -25.284 9.303 93 HB2 ALA 14 1HB ALA 14 -10.441 -24.498 10.738 94 HB3 ALA 14 2HB ALA 14 -9.492 -25.721 9.893 95 H CYS 15 H CYS 15 -11.480 -24.892 7.574 96 HA CYS 15 HA CYS 15 -9.852 -25.728 5.290 97 HB2 CYS 15 1HB CYS 15 -12.845 -25.884 5.736 98 HB3 CYS 15 2HB CYS 15 -11.948 -26.697 4.452 99 HG CYS 15 HG CYS 15 -10.915 -28.289 6.147 100 H GLY 16 H GLY 16 -9.989 -24.935 3.200 101 HA2 GLY 16 1HA GLY 16 -10.438 -22.145 2.872 102 HA3 GLY 16 2HA GLY 16 -10.184 -23.289 1.559 103 H CYS 17 H CYS 17 -11.912 -21.222 1.161 104 HA CYS 17 HA CYS 17 -14.654 -21.865 1.805 105 HB2 CYS 17 1HB CYS 17 -13.801 -19.569 1.268 106 HB3 CYS 17 2HB CYS 17 -13.615 -20.079 -0.410 107 HG CYS 17 HG CYS 17 -16.321 -20.688 -0.165 108 H ALA 18 H ALA 18 -16.105 -23.061 0.675 109 HA ALA 18 HA ALA 18 -15.223 -24.965 -1.265 110 HB1 ALA 18 3HB ALA 18 -17.169 -25.214 0.306 111 HB2 ALA 18 1HB ALA 18 -17.530 -25.645 -1.366 112 HB3 ALA 18 2HB ALA 18 -18.065 -24.095 -0.721 113 H GLY 19 H GLY 19 -15.555 -25.081 -3.494 114 HA2 GLY 19 1HA GLY 19 -16.185 -24.335 -5.655 115 HA3 GLY 19 2HA GLY 19 -16.950 -22.925 -4.915 116 H GLU 20 H GLU 20 -13.740 -23.641 -3.896 117 HA GLU 20 HA GLU 20 -12.781 -21.094 -4.808 118 HB2 GLU 20 1HB GLU 20 -11.902 -22.327 -2.808 119 HB3 GLU 20 2HB GLU 20 -11.148 -23.482 -3.904 120 HG2 GLU 20 1HG GLU 20 -9.476 -21.852 -3.289 121 HG3 GLU 20 2HG GLU 20 -9.916 -21.551 -4.967 122 H ILE 21 H ILE 21 -12.030 -20.550 -6.765 123 HA ILE 21 HA ILE 21 -11.450 -22.685 -8.752 124 HB ILE 21 HB ILE 21 -11.515 -20.791 -10.376 125 HG12 ILE 21 1HG1 ILE 21 -12.293 -19.149 -7.941 126 HG13 ILE 21 2HG1 ILE 21 -10.733 -19.042 -8.756 127 HG21 ILE 21 1HG2 ILE 21 -13.569 -22.103 -9.564 128 HG22 ILE 21 2HG2 ILE 21 -13.883 -20.543 -10.322 129 HG23 ILE 21 3HG2 ILE 21 -13.936 -20.696 -8.567 130 HD11 ILE 21 3HD1 ILE 21 -12.010 -17.287 -9.703 131 HD12 ILE 21 1HD1 ILE 21 -13.453 -18.292 -9.825 132 HD13 ILE 21 2HD1 ILE 21 -12.086 -18.578 -10.901 133 H GLY 22 H GLY 22 -9.816 -20.732 -6.555 134 HA2 GLY 22 1HA GLY 22 -7.361 -21.197 -6.385 135 HA3 GLY 22 2HA GLY 22 -7.262 -20.941 -8.124 136 H PHE 23 H PHE 23 -5.652 -19.478 -6.419 137 HA PHE 23 HA PHE 23 -6.892 -16.748 -6.395 138 HB2 PHE 23 1HB PHE 23 -6.205 -17.513 -4.175 139 HB3 PHE 23 2HB PHE 23 -4.584 -17.864 -4.776 140 HD1 PHE 23 HD1 PHE 23 -7.077 -15.066 -4.622 141 HD2 PHE 23 HD2 PHE 23 -2.934 -16.202 -4.612 142 HE1 PHE 23 HE1 PHE 23 -6.430 -12.706 -4.226 143 HE2 PHE 23 HE2 PHE 23 -2.287 -13.842 -4.214 144 HZ PHE 23 HZ PHE 23 -4.036 -12.094 -4.023 145 H ILE 24 H ILE 24 -5.944 -15.176 -7.596 146 HA ILE 24 HA ILE 24 -3.897 -15.944 -9.518 147 HB ILE 24 HB ILE 24 -4.123 -13.394 -10.090 148 HG12 ILE 24 1HG1 ILE 24 -6.639 -13.775 -8.450 149 HG13 ILE 24 2HG1 ILE 24 -5.208 -12.961 -7.816 150 HG21 ILE 24 1HG2 ILE 24 -5.086 -15.159 -11.455 151 HG22 ILE 24 2HG2 ILE 24 -6.262 -13.857 -11.269 152 HG23 ILE 24 3HG2 ILE 24 -6.432 -15.339 -10.329 153 HD11 ILE 24 3HD1 ILE 24 -5.306 -11.345 -9.683 154 HD12 ILE 24 1HD1 ILE 24 -6.801 -11.328 -8.748 155 HD13 ILE 24 2HD1 ILE 24 -6.744 -12.156 -10.305 156 H ILE 25 H ILE 25 -1.847 -14.995 -9.747 157 HA ILE 25 HA ILE 25 0.221 -14.299 -8.978 158 HB ILE 25 HB ILE 25 -1.537 -12.384 -7.418 159 HG12 ILE 25 1HG1 ILE 25 0.111 -11.957 -9.925 160 HG13 ILE 25 2HG1 ILE 25 -1.604 -12.370 -9.957 161 HG21 ILE 25 1HG2 ILE 25 0.592 -12.436 -6.311 162 HG22 ILE 25 2HG2 ILE 25 0.611 -11.019 -7.358 163 HG23 ILE 25 3HG2 ILE 25 1.459 -12.486 -7.846 164 HD11 ILE 25 3HD1 ILE 25 -2.089 -10.359 -8.579 165 HD12 ILE 25 1HD1 ILE 25 -1.332 -9.942 -10.116 166 HD13 ILE 25 2HD1 ILE 25 -0.378 -9.933 -8.633 167 H ARG 26 H ARG 26 0.886 -16.160 -7.904 168 HA ARG 26 HA ARG 26 0.025 -16.757 -5.192 169 HB2 ARG 26 1HB ARG 26 2.307 -17.890 -6.839 170 HB3 ARG 26 2HB ARG 26 1.699 -18.574 -5.333 171 HG2 ARG 26 1HG ARG 26 -0.196 -18.103 -7.633 172 HG3 ARG 26 2HG ARG 26 0.834 -19.531 -7.625 173 HD2 ARG 26 1HD ARG 26 -1.045 -18.771 -5.361 174 HD3 ARG 26 2HD ARG 26 -1.409 -19.955 -6.613 175 HE ARG 26 HE ARG 26 1.037 -20.762 -5.540 176 HH11 ARG 26 1HH2 ARG 26 -2.162 -20.123 -4.420 177 HH12 ARG 26 2HH2 ARG 26 -2.086 -21.292 -3.143 178 HH21 ARG 26 1HH1 ARG 26 1.152 -22.282 -3.884 179 HH22 ARG 26 2HH1 ARG 26 -0.210 -22.516 -2.839 180 H GLU 27 H GLU 27 1.380 -16.714 -3.319 181 HA GLU 27 HA GLU 27 2.868 -14.319 -2.983 182 HB2 GLU 27 1HB GLU 27 2.820 -16.856 -1.319 183 HB3 GLU 27 2HB GLU 27 3.574 -15.349 -0.806 184 HG2 GLU 27 1HG GLU 27 1.448 -15.155 0.152 185 HG3 GLU 27 2HG GLU 27 1.227 -14.284 -1.363 186 H GLY 28 H GLY 28 5.078 -13.885 -2.964 187 HA2 GLY 28 1HA GLY 28 7.127 -15.875 -3.055 188 HA3 GLY 28 2HA GLY 28 6.771 -15.342 -4.697 189 H ASP 29 H ASP 29 9.144 -14.632 -4.401 190 HA ASP 29 HA ASP 29 9.775 -12.392 -2.713 191 HB2 ASP 29 1HB ASP 29 11.796 -12.184 -4.125 192 HB3 ASP 29 2HB ASP 29 11.515 -13.856 -3.641 193 H ASP 30 H ASP 30 8.436 -12.639 -5.960 194 HA ASP 30 HA ASP 30 8.780 -9.781 -6.498 195 HB2 ASP 30 1HB ASP 30 7.225 -11.958 -7.920 196 HB3 ASP 30 2HB ASP 30 7.376 -10.302 -8.509 197 H VAL 31 H VAL 31 6.818 -11.383 -4.419 198 HA VAL 31 HA VAL 31 4.539 -9.462 -4.806 199 HB VAL 31 HB VAL 31 4.567 -12.308 -3.770 200 HG11 VAL 31 1HG1 VAL 31 2.048 -11.853 -3.495 201 HG12 VAL 31 2HG1 VAL 31 2.467 -10.141 -3.548 202 HG13 VAL 31 3HG1 VAL 31 3.111 -11.166 -2.266 203 HG21 VAL 31 3HG2 VAL 31 3.093 -12.733 -5.616 204 HG22 VAL 31 1HG2 VAL 31 4.439 -11.794 -6.263 205 HG23 VAL 31 2HG2 VAL 31 2.894 -11.009 -5.934 206 H ALA 32 H ALA 32 4.098 -8.146 -3.113 207 HA ALA 32 HA ALA 32 5.423 -8.717 -0.480 208 HB1 ALA 32 3HB ALA 32 5.133 -6.076 -1.939 209 HB2 ALA 32 1HB ALA 32 6.636 -6.922 -1.570 210 HB3 ALA 32 2HB ALA 32 5.668 -6.235 -0.267 211 H GLU 33 H GLU 33 4.245 -8.085 1.358 212 HA GLU 33 HA GLU 33 1.328 -7.888 0.920 213 HB2 GLU 33 1HB GLU 33 1.192 -8.327 3.343 214 HB3 GLU 33 2HB GLU 33 2.203 -9.529 2.540 215 HG2 GLU 33 1HG GLU 33 4.221 -8.195 3.183 216 HG3 GLU 33 2HG GLU 33 3.171 -7.107 4.090 217 H VAL 34 H VAL 34 0.107 -6.115 1.490 218 HA VAL 34 HA VAL 34 1.507 -3.777 2.735 219 HB VAL 34 HB VAL 34 -0.311 -3.812 0.308 220 HG11 VAL 34 1HG1 VAL 34 0.506 -1.540 2.134 221 HG12 VAL 34 2HG1 VAL 34 -1.120 -1.988 1.619 222 HG13 VAL 34 3HG1 VAL 34 0.002 -1.268 0.466 223 HG21 VAL 34 3HG2 VAL 34 2.010 -4.148 -0.249 224 HG22 VAL 34 1HG2 VAL 34 2.519 -2.868 0.851 225 HG23 VAL 34 2HG2 VAL 34 1.630 -2.466 -0.615 226 H SER 35 H SER 35 0.351 -2.836 4.358 227 HA SER 35 HA SER 35 -2.542 -3.539 4.636 228 HB2 SER 35 1HB SER 35 -1.227 -5.025 6.116 229 HB3 SER 35 2HB SER 35 -0.473 -3.614 6.853 230 HG SER 35 HG SER 35 -2.650 -2.931 7.383 231 H LEU 36 H LEU 36 -3.799 -1.887 5.464 232 HA LEU 36 HA LEU 36 -2.396 0.708 6.057 233 HB2 LEU 36 1HB LEU 36 -5.069 0.216 4.721 234 HB3 LEU 36 2HB LEU 36 -4.428 1.802 5.125 235 HG LEU 36 HG LEU 36 -2.965 -0.179 3.360 236 HD11 LEU 36 1HD1 LEU 36 -3.762 1.182 1.455 237 HD12 LEU 36 2HD1 LEU 36 -4.750 2.139 2.558 238 HD13 LEU 36 3HD1 LEU 36 -5.105 0.430 2.314 239 HD21 LEU 36 3HD2 LEU 36 -1.392 1.409 4.117 240 HD22 LEU 36 1HD2 LEU 36 -2.571 2.721 4.118 241 HD23 LEU 36 2HD2 LEU 36 -1.937 2.104 2.596 242 H PHE 37 H PHE 37 -3.470 2.078 7.609 243 HA PHE 37 HA PHE 37 -5.245 0.571 9.506 244 HB2 PHE 37 1HB PHE 37 -3.092 2.636 10.047 245 HB3 PHE 37 2HB PHE 37 -4.191 1.996 11.272 246 HD1 PHE 37 HD2 PHE 37 -4.227 -0.501 11.704 247 HD2 PHE 37 HD1 PHE 37 -1.173 1.403 9.359 248 HE1 PHE 37 HE2 PHE 37 -2.774 -2.491 11.982 249 HE2 PHE 37 HE1 PHE 37 0.280 -0.589 9.635 250 HZ PHE 37 HZ PHE 37 -0.522 -2.535 10.947 251 H GLY 38 H GLY 38 -7.100 1.620 10.170 252 HA2 GLY 38 1HA GLY 38 -7.494 4.445 10.105 253 HA3 GLY 38 2HA GLY 38 -8.154 3.744 8.631 254 H SER 39 H SER 39 -10.114 4.785 9.879 255 HA SER 39 HA SER 39 -11.268 2.884 11.863 256 HB2 SER 39 1HB SER 39 -12.897 4.640 12.295 257 HB3 SER 39 2HB SER 39 -11.285 5.351 12.321 258 HG SER 39 HG SER 39 -13.192 6.260 10.950 259 H ASP 40 H ASP 40 -12.887 4.834 9.365 260 HA ASP 40 HA ASP 40 -14.681 2.612 8.763 261 HB2 ASP 40 1HB ASP 40 -15.370 5.043 8.805 262 HB3 ASP 40 2HB ASP 40 -14.441 5.267 7.324 263 H LYS 41 H LYS 41 -14.948 1.714 6.607 264 HA LYS 41 HA LYS 41 -12.508 0.896 5.389 265 HB2 LYS 41 1HB LYS 41 -15.033 -0.001 5.323 266 HB3 LYS 41 2HB LYS 41 -15.056 0.885 3.806 267 HG2 LYS 41 1HG LYS 41 -13.103 -1.304 4.575 268 HG3 LYS 41 2HG LYS 41 -14.402 -1.429 3.390 269 HD2 LYS 41 1HD LYS 41 -13.272 0.531 2.184 270 HD3 LYS 41 2HD LYS 41 -11.886 0.224 3.232 271 HE2 LYS 41 1HE LYS 41 -11.799 -2.114 2.440 272 HE3 LYS 41 2HE LYS 41 -13.161 -1.790 1.366 273 HZ1 LYS 41 3HZ LYS 41 -10.893 0.025 1.194 274 HZ2 LYS 41 1HZ LYS 41 -11.896 -0.577 -0.034 275 HZ3 LYS 41 2HZ LYS 41 -10.651 -1.547 0.596 276 H ALA 42 H ALA 42 -14.861 3.405 4.439 277 HA ALA 42 HA ALA 42 -13.764 4.104 1.941 278 HB1 ALA 42 3HB ALA 42 -14.972 5.971 3.998 279 HB2 ALA 42 1HB ALA 42 -15.889 5.001 2.847 280 HB3 ALA 42 2HB ALA 42 -14.827 6.284 2.268 281 H HIS 43 H HIS 43 -12.823 5.230 5.186 282 HA HIS 43 HA HIS 43 -10.927 7.179 4.340 283 HB2 HIS 43 1HB HIS 43 -11.763 6.923 6.672 284 HB3 HIS 43 2HB HIS 43 -10.832 5.433 6.817 285 HD1 HIS 43 HD1 HIS 43 -10.085 9.009 5.691 286 HD2 HIS 43 HD2 HIS 43 -8.381 5.954 7.952 287 HE1 HIS 43 HE1 HIS 43 -7.882 9.906 6.561 288 H LEU 44 H LEU 44 -10.578 3.705 4.996 289 HA LEU 44 HA LEU 44 -7.753 3.560 4.600 290 HB2 LEU 44 1HB LEU 44 -9.957 1.517 4.261 291 HB3 LEU 44 2HB LEU 44 -8.246 1.117 4.149 292 HG LEU 44 HG LEU 44 -9.483 2.501 6.547 293 HD11 LEU 44 1HD1 LEU 44 -8.986 -0.446 6.047 294 HD12 LEU 44 2HD1 LEU 44 -10.523 0.337 6.398 295 HD13 LEU 44 3HD1 LEU 44 -9.285 0.238 7.643 296 HD21 LEU 44 3HD2 LEU 44 -7.184 2.883 6.717 297 HD22 LEU 44 1HD2 LEU 44 -6.761 1.385 5.894 298 HD23 LEU 44 2HD2 LEU 44 -7.318 1.347 7.563 299 H GLU 45 H GLU 45 -10.473 3.255 2.342 300 HA GLU 45 HA GLU 45 -8.963 2.465 0.062 301 HB2 GLU 45 1HB GLU 45 -11.512 4.083 0.320 302 HB3 GLU 45 2HB GLU 45 -10.881 3.497 -1.219 303 HG2 GLU 45 1HG GLU 45 -11.023 1.189 -0.445 304 HG3 GLU 45 2HG GLU 45 -11.536 1.728 1.155 305 H GLY 46 H GLY 46 -9.649 5.649 1.458 306 HA2 GLY 46 1HA GLY 46 -8.599 7.226 -0.677 307 HA3 GLY 46 2HA GLY 46 -8.702 7.748 1.006 308 H LYS 47 H LYS 47 -7.052 5.820 2.207 309 HA LYS 47 HA LYS 47 -4.446 6.916 1.720 310 HB2 LYS 47 1HB LYS 47 -5.362 4.446 3.211 311 HB3 LYS 47 2HB LYS 47 -3.694 5.016 3.197 312 HG2 LYS 47 1HG LYS 47 -4.390 7.162 4.159 313 HG3 LYS 47 2HG LYS 47 -6.076 6.657 4.103 314 HD2 LYS 47 1HD LYS 47 -5.420 6.238 6.340 315 HD3 LYS 47 2HD LYS 47 -5.359 4.659 5.561 316 HE2 LYS 47 1HE LYS 47 -2.965 4.758 5.358 317 HE3 LYS 47 2HE LYS 47 -2.931 6.460 5.816 318 HZ1 LYS 47 3HZ LYS 47 -4.187 4.649 7.707 319 HZ2 LYS 47 1HZ LYS 47 -3.162 5.971 7.986 320 HZ3 LYS 47 2HZ LYS 47 -2.508 4.474 7.521 321 H LEU 48 H LEU 48 -6.068 3.965 0.653 322 HA LEU 48 HA LEU 48 -3.811 2.642 -0.448 323 HB2 LEU 48 1HB LEU 48 -5.990 1.537 -0.152 324 HB3 LEU 48 2HB LEU 48 -6.699 2.589 -1.376 325 HG LEU 48 HG LEU 48 -5.169 1.664 -3.076 326 HD11 LEU 48 1HD1 LEU 48 -4.039 0.239 -0.680 327 HD12 LEU 48 2HD1 LEU 48 -3.195 1.032 -2.013 328 HD13 LEU 48 3HD1 LEU 48 -3.957 -0.536 -2.263 329 HD21 LEU 48 3HD2 LEU 48 -6.453 -0.635 -1.589 330 HD22 LEU 48 1HD2 LEU 48 -6.249 -0.446 -3.330 331 HD23 LEU 48 2HD2 LEU 48 -7.400 0.570 -2.461 332 H ALA 49 H ALA 49 -6.008 5.056 -1.859 333 HA ALA 49 HA ALA 49 -5.084 4.967 -4.525 334 HB1 ALA 49 3HB ALA 49 -7.026 6.311 -3.654 335 HB2 ALA 49 1HB ALA 49 -5.962 7.215 -4.734 336 HB3 ALA 49 2HB ALA 49 -5.863 7.461 -2.991 337 H GLU 50 H GLU 50 -3.812 6.765 -1.738 338 HA GLU 50 HA GLU 50 -1.732 8.125 -3.174 339 HB2 GLU 50 1HB GLU 50 -2.016 7.352 -0.258 340 HB3 GLU 50 2HB GLU 50 -0.725 8.384 -0.872 341 HG2 GLU 50 1HG GLU 50 -2.384 9.996 -1.701 342 HG3 GLU 50 2HG GLU 50 -3.693 8.949 -1.153 343 H TYR 51 H TYR 51 -1.875 5.027 -1.466 344 HA TYR 51 HA TYR 51 0.897 4.374 -1.601 345 HB2 TYR 51 1HB TYR 51 -1.655 2.807 -1.319 346 HB3 TYR 51 2HB TYR 51 -0.147 1.935 -1.571 347 HD1 TYR 51 HD2 TYR 51 -0.934 5.061 0.378 348 HD2 TYR 51 HD1 TYR 51 0.519 1.019 0.476 349 HE1 TYR 51 HE2 TYR 51 -0.369 5.325 2.767 350 HE2 TYR 51 HE1 TYR 51 1.080 1.286 2.874 351 HH TYR 51 HH TYR 51 0.514 2.650 4.753 352 H ILE 52 H ILE 52 -1.767 3.790 -3.871 353 HA ILE 52 HA ILE 52 -0.284 2.193 -5.715 354 HB ILE 52 HB ILE 52 -2.667 4.023 -6.123 355 HG12 ILE 52 1HG1 ILE 52 -2.517 0.996 -5.985 356 HG13 ILE 52 2HG1 ILE 52 -2.877 2.009 -4.587 357 HG21 ILE 52 1HG2 ILE 52 -1.301 2.056 -7.974 358 HG22 ILE 52 2HG2 ILE 52 -1.668 3.754 -8.279 359 HG23 ILE 52 3HG2 ILE 52 -2.972 2.571 -8.206 360 HD11 ILE 52 3HD1 ILE 52 -4.454 2.114 -7.172 361 HD12 ILE 52 1HD1 ILE 52 -4.864 2.886 -5.640 362 HD13 ILE 52 2HD1 ILE 52 -4.921 1.130 -5.785 363 H SER 53 H SER 53 -0.795 5.719 -5.514 364 HA SER 53 HA SER 53 0.483 6.451 -7.929 365 HB2 SER 53 1HB SER 53 0.410 7.889 -5.264 366 HB3 SER 53 2HB SER 53 0.901 8.630 -6.785 367 HG SER 53 HG SER 53 -1.135 8.459 -7.533 368 H LEU 54 H LEU 54 1.939 6.165 -4.659 369 HA LEU 54 HA LEU 54 4.611 6.736 -5.556 370 HB2 LEU 54 1HB LEU 54 3.405 5.487 -3.102 371 HB3 LEU 54 2HB LEU 54 5.150 5.417 -3.327 372 HG LEU 54 HG LEU 54 4.358 7.406 -1.998 373 HD11 LEU 54 1HD1 LEU 54 6.429 7.296 -3.749 374 HD12 LEU 54 2HD1 LEU 54 6.053 8.730 -2.805 375 HD13 LEU 54 3HD1 LEU 54 5.513 8.613 -4.478 376 HD21 LEU 54 3HD2 LEU 54 2.268 7.629 -3.493 377 HD22 LEU 54 1HD2 LEU 54 3.320 8.476 -4.627 378 HD23 LEU 54 2HD2 LEU 54 3.068 9.121 -3.007 379 H ALA 55 H ALA 55 2.820 3.714 -5.086 380 HA ALA 55 HA ALA 55 5.000 1.952 -5.638 381 HB1 ALA 55 3HB ALA 55 2.701 1.403 -4.646 382 HB2 ALA 55 1HB ALA 55 3.344 0.251 -5.818 383 HB3 ALA 55 2HB ALA 55 2.102 1.406 -6.306 384 H LYS 56 H LYS 56 2.605 3.518 -7.738 385 HA LYS 56 HA LYS 56 3.300 2.171 -10.144 386 HB2 LYS 56 1HB LYS 56 1.241 3.536 -9.791 387 HB3 LYS 56 2HB LYS 56 2.244 4.989 -9.811 388 HG2 LYS 56 1HG LYS 56 2.997 4.481 -12.071 389 HG3 LYS 56 2HG LYS 56 2.085 2.973 -12.060 390 HD2 LYS 56 1HD LYS 56 -0.017 4.250 -11.792 391 HD3 LYS 56 2HD LYS 56 0.900 5.756 -11.826 392 HE2 LYS 56 1HE LYS 56 1.699 5.237 -14.095 393 HE3 LYS 56 2HE LYS 56 0.814 3.711 -14.064 394 HZ1 LYS 56 3HZ LYS 56 -0.145 6.151 -14.884 395 HZ2 LYS 56 1HZ LYS 56 -0.867 5.897 -13.371 396 HZ3 LYS 56 2HZ LYS 56 -1.055 4.743 -14.604 397 H GLN 57 H GLN 57 4.481 5.227 -8.735 398 HA GLN 57 HA GLN 57 6.234 5.869 -10.917 399 HB2 GLN 57 1HB GLN 57 6.343 6.641 -7.986 400 HB3 GLN 57 2HB GLN 57 7.338 7.368 -9.247 401 HG2 GLN 57 1HG GLN 57 4.306 7.340 -9.282 402 HG3 GLN 57 2HG GLN 57 5.278 8.697 -8.714 403 HE21 GLN 57 2HE2 GLN 57 6.387 9.994 -10.299 404 HE22 GLN 57 1HE2 GLN 57 6.143 9.795 -11.967 405 H VAL 58 H VAL 58 6.725 4.111 -7.870 406 HA VAL 58 HA VAL 58 9.541 3.731 -8.161 407 HB VAL 58 HB VAL 58 7.433 2.137 -6.685 408 HG11 VAL 58 1HG1 VAL 58 9.242 0.619 -6.977 409 HG12 VAL 58 2HG1 VAL 58 9.481 1.317 -5.376 410 HG13 VAL 58 3HG1 VAL 58 10.446 1.886 -6.738 411 HG21 VAL 58 3HG2 VAL 58 9.553 3.979 -5.563 412 HG22 VAL 58 1HG2 VAL 58 8.088 3.391 -4.778 413 HG23 VAL 58 2HG2 VAL 58 7.974 4.583 -6.072 414 H TYR 59 H TYR 59 6.787 1.635 -9.087 415 HA TYR 59 HA TYR 59 8.675 0.124 -10.868 416 HB2 TYR 59 1HB TYR 59 8.044 -1.185 -8.856 417 HB3 TYR 59 2HB TYR 59 6.346 -1.015 -9.298 418 HD1 TYR 59 HD2 TYR 59 9.630 -2.309 -10.513 419 HD2 TYR 59 HD1 TYR 59 5.363 -2.454 -10.894 420 HE1 TYR 59 HE2 TYR 59 9.831 -4.263 -12.027 421 HE2 TYR 59 HE1 TYR 59 5.555 -4.408 -12.405 422 HH TYR 59 HH TYR 59 7.341 -6.283 -12.759 423 H ALA 60 H ALA 60 8.060 0.047 -12.940 424 HA ALA 60 HA ALA 60 5.712 1.426 -13.862 425 HB1 ALA 60 3HB ALA 60 6.403 0.720 -16.076 426 HB2 ALA 60 1HB ALA 60 7.453 -0.522 -15.394 427 HB3 ALA 60 2HB ALA 60 7.837 1.183 -15.161 428 H ASN 61 H ASN 61 3.901 0.509 -15.011 429 HA ASN 61 HA ASN 61 2.037 -0.904 -14.978 430 HB2 ASN 61 1HB ASN 61 2.569 -3.237 -15.771 431 HB3 ASN 61 2HB ASN 61 3.250 -1.960 -16.772 432 HD21 ASN 61 2HD2 ASN 61 5.458 -2.120 -17.193 433 HD22 ASN 61 1HD2 ASN 61 6.545 -3.080 -16.313 434 H VAL 62 H VAL 62 2.378 -0.320 -12.502 435 HA VAL 62 HA VAL 62 3.076 -2.521 -10.760 436 HB VAL 62 HB VAL 62 3.233 -0.141 -10.079 437 HG11 VAL 62 1HG1 VAL 62 1.116 0.561 -11.247 438 HG12 VAL 62 2HG1 VAL 62 1.235 1.132 -9.583 439 HG13 VAL 62 3HG1 VAL 62 0.206 -0.246 -9.970 440 HG21 VAL 62 3HG2 VAL 62 1.290 -1.789 -8.430 441 HG22 VAL 62 1HG2 VAL 62 2.260 -0.441 -7.836 442 HG23 VAL 62 2HG2 VAL 62 3.049 -1.922 -8.376 443 H GLU 63 H GLU 63 1.790 -4.065 -9.889 444 HA GLU 63 HA GLU 63 -1.142 -3.983 -10.515 445 HB2 GLU 63 1HB GLU 63 0.795 -6.308 -10.614 446 HB3 GLU 63 2HB GLU 63 -0.961 -6.500 -10.647 447 HG2 GLU 63 1HG GLU 63 -1.102 -5.112 -12.659 448 HG3 GLU 63 2HG GLU 63 0.638 -4.834 -12.611 449 H TYR 64 H TYR 64 -2.488 -4.523 -8.838 450 HA TYR 64 HA TYR 64 -1.367 -5.718 -6.380 451 HB2 TYR 64 1HB TYR 64 -2.270 -3.891 -4.967 452 HB3 TYR 64 2HB TYR 64 -1.006 -3.307 -6.047 453 HD1 TYR 64 HD1 TYR 64 -1.559 -1.938 -8.018 454 HD2 TYR 64 HD2 TYR 64 -4.595 -3.242 -5.274 455 HE1 TYR 64 HE1 TYR 64 -3.133 -0.271 -8.967 456 HE2 TYR 64 HE2 TYR 64 -6.169 -1.577 -6.224 457 HH TYR 64 HH TYR 64 -5.612 0.028 -9.137 458 H GLU 65 H GLU 65 -3.131 -6.305 -4.859 459 HA GLU 65 HA GLU 65 -5.854 -6.318 -6.058 460 HB2 GLU 65 1HB GLU 65 -4.683 -8.442 -6.729 461 HB3 GLU 65 2HB GLU 65 -4.483 -8.819 -5.019 462 HG2 GLU 65 1HG GLU 65 -6.458 -9.972 -5.780 463 HG3 GLU 65 2HG GLU 65 -6.998 -8.628 -4.776 464 H VAL 66 H VAL 66 -7.492 -6.434 -4.484 465 HA VAL 66 HA VAL 66 -6.553 -6.227 -1.639 466 HB VAL 66 HB VAL 66 -8.942 -4.935 -2.976 467 HG11 VAL 66 1HG1 VAL 66 -9.049 -3.714 -0.764 468 HG12 VAL 66 2HG1 VAL 66 -7.866 -4.864 -0.144 469 HG13 VAL 66 3HG1 VAL 66 -9.452 -5.428 -0.669 470 HG21 VAL 66 3HG2 VAL 66 -7.611 -2.839 -2.367 471 HG22 VAL 66 1HG2 VAL 66 -6.953 -3.805 -3.686 472 HG23 VAL 66 2HG2 VAL 66 -6.240 -3.908 -2.078 473 H ALA 67 H ALA 67 -7.337 -7.761 -0.293 474 HA ALA 67 HA ALA 67 -9.254 -9.698 -1.329 475 HB1 ALA 67 3HB ALA 67 -7.159 -9.842 0.467 476 HB2 ALA 67 1HB ALA 67 -8.384 -11.091 0.268 477 HB3 ALA 67 2HB ALA 67 -8.553 -9.887 1.545 478 HA PRO 68 HA PRO 68 -13.064 -8.278 0.426 479 HB2 PRO 68 1HB PRO 68 -13.133 -10.623 2.298 480 HB3 PRO 68 2HB PRO 68 -14.361 -10.068 1.141 481 HG2 PRO 68 1HG PRO 68 -12.865 -12.201 0.623 482 HG3 PRO 68 2HG PRO 68 -13.297 -11.053 -0.659 483 HD2 PRO 68 1HD PRO 68 -10.673 -11.395 0.754 484 HD3 PRO 68 2HD PRO 68 -11.008 -10.964 -0.936 485 H VAL 69 H VAL 69 -13.454 -6.710 1.930 486 HA VAL 69 HA VAL 69 -12.258 -6.971 4.658 487 HB VAL 69 HB VAL 69 -12.116 -4.576 2.809 488 HG11 VAL 69 1HG1 VAL 69 -12.722 -3.622 4.897 489 HG12 VAL 69 2HG1 VAL 69 -10.963 -3.543 4.888 490 HG13 VAL 69 3HG1 VAL 69 -11.782 -4.803 5.805 491 HG21 VAL 69 3HG2 VAL 69 -9.937 -5.960 4.392 492 HG22 VAL 69 1HG2 VAL 69 -9.748 -4.834 3.050 493 HG23 VAL 69 2HG2 VAL 69 -10.370 -6.456 2.757 494 H ALA 70 H ALA 70 -13.625 -6.380 6.281 495 HA ALA 70 HA ALA 70 -16.415 -6.014 5.707 496 HB1 ALA 70 3HB ALA 70 -15.311 -7.025 7.806 497 HB2 ALA 70 1HB ALA 70 -16.720 -5.995 8.056 498 HB3 ALA 70 2HB ALA 70 -15.101 -5.360 8.346 499 H ASP 71 H ASP 71 -17.726 -4.156 6.061 500 HA ASP 71 HA ASP 71 -16.645 -1.656 5.205 501 HB2 ASP 71 1HB ASP 71 -19.248 -2.437 6.526 502 HB3 ASP 71 2HB ASP 71 -18.906 -0.779 6.035 503 H ASN 72 H ASN 72 -17.367 -2.945 8.433 504 HA ASN 72 HA ASN 72 -16.608 -0.414 9.741 505 HB2 ASN 72 1HB ASN 72 -18.415 -1.783 10.709 506 HB3 ASN 72 2HB ASN 72 -17.304 -3.139 10.885 507 HD21 ASN 72 2HD2 ASN 72 -17.439 0.354 11.817 508 HD22 ASN 72 1HD2 ASN 72 -16.766 0.114 13.357 509 H ALA 73 H ALA 73 -14.838 -2.575 8.181 510 HA ALA 73 HA ALA 73 -12.890 -3.500 10.045 511 HB1 ALA 73 3HB ALA 73 -12.481 -2.788 7.126 512 HB2 ALA 73 1HB ALA 73 -13.108 -4.332 7.706 513 HB3 ALA 73 2HB ALA 73 -11.459 -3.847 8.098 514 H THR 74 H THR 74 -10.977 -2.597 10.770 515 HA THR 74 HA THR 74 -10.629 0.341 10.300 516 HB THR 74 HB THR 74 -10.736 0.179 12.609 517 HG1 THR 74 HG1 THR 74 -8.084 -0.558 11.949 518 HG21 THR 74 3HG2 THR 74 -9.928 -1.858 13.854 519 HG22 THR 74 1HG2 THR 74 -9.593 -2.608 12.293 520 HG23 THR 74 2HG2 THR 74 -11.247 -2.178 12.727 521 H GLU 75 H GLU 75 -9.565 -2.453 9.051 522 HA GLU 75 HA GLU 75 -6.904 -1.296 8.385 523 HB2 GLU 75 1HB GLU 75 -7.382 -4.104 9.430 524 HB3 GLU 75 2HB GLU 75 -5.901 -3.602 8.611 525 HG2 GLU 75 1HG GLU 75 -5.513 -1.884 10.310 526 HG3 GLU 75 2HG GLU 75 -7.024 -2.312 11.114 527 H LEU 76 H LEU 76 -6.001 -2.291 6.406 528 HA LEU 76 HA LEU 76 -8.095 -3.625 4.707 529 HB2 LEU 76 1HB LEU 76 -7.727 -1.146 4.206 530 HB3 LEU 76 2HB LEU 76 -6.098 -1.590 3.708 531 HG LEU 76 HG LEU 76 -7.387 -3.406 2.237 532 HD11 LEU 76 1HD1 LEU 76 -9.431 -1.188 2.181 533 HD12 LEU 76 2HD1 LEU 76 -9.599 -2.522 3.315 534 HD13 LEU 76 3HD1 LEU 76 -9.572 -2.841 1.583 535 HD21 LEU 76 3HD2 LEU 76 -7.185 -0.452 1.560 536 HD22 LEU 76 1HD2 LEU 76 -7.468 -1.726 0.375 537 HD23 LEU 76 2HD2 LEU 76 -5.955 -1.685 1.280 538 H HIS 77 H HIS 77 -7.366 -5.390 3.628 539 HA HIS 77 HA HIS 77 -4.451 -6.032 3.819 540 HB2 HIS 77 1HB HIS 77 -6.905 -7.762 3.438 541 HB3 HIS 77 2HB HIS 77 -5.254 -8.371 3.306 542 HD1 HIS 77 HD1 HIS 77 -7.655 -6.862 5.806 543 HD2 HIS 77 HD2 HIS 77 -3.914 -8.698 5.757 544 HE1 HIS 77 HE1 HIS 77 -7.035 -7.287 8.224 545 H ALA 78 H ALA 78 -3.288 -5.868 1.991 546 HA ALA 78 HA ALA 78 -4.503 -6.536 -0.615 547 HB1 ALA 78 3HB ALA 78 -3.114 -3.875 -0.206 548 HB2 ALA 78 1HB ALA 78 -4.869 -4.050 -0.194 549 HB3 ALA 78 2HB ALA 78 -3.953 -4.436 -1.652 550 H ARG 79 H ARG 79 -2.807 -6.682 -2.308 551 HA ARG 79 HA ARG 79 -0.057 -7.081 -1.178 552 HB2 ARG 79 1HB ARG 79 -1.619 -8.869 -3.059 553 HB3 ARG 79 2HB ARG 79 0.119 -9.017 -2.791 554 HG2 ARG 79 1HG ARG 79 -0.265 -9.380 -0.389 555 HG3 ARG 79 2HG ARG 79 -2.004 -9.195 -0.630 556 HD2 ARG 79 1HD ARG 79 -2.011 -11.145 -2.137 557 HD3 ARG 79 2HD ARG 79 -0.271 -11.324 -1.920 558 HE ARG 79 HE ARG 79 -0.656 -12.193 0.263 559 HH11 ARG 79 1HH2 ARG 79 -3.512 -10.927 -1.208 560 HH12 ARG 79 2HH2 ARG 79 -4.581 -11.642 -0.050 561 HH21 ARG 79 1HH1 ARG 79 -2.040 -13.133 1.774 562 HH22 ARG 79 2HH1 ARG 79 -3.749 -12.891 1.637 563 H PHE 80 H PHE 80 1.638 -6.610 -2.632 564 HA PHE 80 HA PHE 80 0.842 -5.285 -5.202 565 HB2 PHE 80 1HB PHE 80 2.705 -4.338 -3.022 566 HB3 PHE 80 2HB PHE 80 2.883 -3.767 -4.683 567 HD1 PHE 80 HD1 PHE 80 0.378 -4.125 -1.928 568 HD2 PHE 80 HD2 PHE 80 1.517 -2.033 -5.501 569 HE1 PHE 80 HE1 PHE 80 -1.468 -2.508 -1.570 570 HE2 PHE 80 HE2 PHE 80 -0.328 -0.416 -5.144 571 HZ PHE 80 HZ PHE 80 -1.818 -0.654 -3.181 572 H LYS 81 H LYS 81 2.387 -5.442 -6.881 573 HA LYS 81 HA LYS 81 4.308 -7.710 -6.540 574 HB2 LYS 81 1HB LYS 81 2.507 -7.997 -8.224 575 HB3 LYS 81 2HB LYS 81 3.092 -6.561 -9.066 576 HG2 LYS 81 1HG LYS 81 5.256 -7.621 -9.453 577 HG3 LYS 81 2HG LYS 81 4.761 -9.034 -8.522 578 HD2 LYS 81 1HD LYS 81 2.940 -9.455 -10.145 579 HD3 LYS 81 2HD LYS 81 3.472 -8.062 -11.089 580 HE2 LYS 81 1HE LYS 81 5.237 -10.437 -10.437 581 HE3 LYS 81 2HE LYS 81 4.352 -10.253 -11.951 582 HZ1 LYS 81 3HZ LYS 81 5.530 -7.957 -11.985 583 HZ2 LYS 81 1HZ LYS 81 6.372 -9.343 -12.479 584 HZ3 LYS 81 2HZ LYS 81 6.629 -8.704 -10.926 585 H PHE 82 H PHE 82 6.459 -7.415 -7.045 586 HA PHE 82 HA PHE 82 7.316 -4.829 -8.254 587 HB2 PHE 82 1HB PHE 82 8.351 -5.981 -5.643 588 HB3 PHE 82 2HB PHE 82 9.098 -4.639 -6.512 589 HD1 PHE 82 HD1 PHE 82 7.600 -2.606 -7.063 590 HD2 PHE 82 HD2 PHE 82 6.602 -5.567 -4.122 591 HE1 PHE 82 HE1 PHE 82 6.020 -1.017 -6.004 592 HE2 PHE 82 HE2 PHE 82 5.021 -3.980 -3.059 593 HZ PHE 82 HZ PHE 82 4.730 -1.704 -4.001 594 H GLU 83 H GLU 83 10.047 -5.207 -7.959 595 HA GLU 83 HA GLU 83 10.498 -7.587 -9.702 596 HB2 GLU 83 1HB GLU 83 11.228 -5.297 -10.454 597 HB3 GLU 83 2HB GLU 83 12.348 -5.264 -9.093 598 HG2 GLU 83 1HG GLU 83 13.482 -7.261 -9.936 599 HG3 GLU 83 2HG GLU 83 12.332 -7.378 -11.268 600 H VAL 84 H VAL 84 11.994 -5.900 -6.908 601 HA VAL 84 HA VAL 84 12.934 -8.561 -5.912 602 HB VAL 84 HB VAL 84 15.030 -7.234 -5.121 603 HG11 VAL 84 1HG1 VAL 84 14.447 -8.060 -7.968 604 HG12 VAL 84 2HG1 VAL 84 15.341 -8.943 -6.734 605 HG13 VAL 84 3HG1 VAL 84 16.051 -7.512 -7.479 606 HG21 VAL 84 3HG2 VAL 84 15.601 -5.270 -6.348 607 HG22 VAL 84 1HG2 VAL 84 13.928 -5.028 -5.845 608 HG23 VAL 84 2HG2 VAL 84 14.289 -5.518 -7.500 609 H SER 85 H SER 85 13.545 -8.474 -3.592 610 HA SER 85 HA SER 85 11.459 -7.375 -1.991 611 HB2 SER 85 1HB SER 85 12.835 -9.338 -1.350 612 HB3 SER 85 2HB SER 85 14.232 -8.282 -1.164 613 HG SER 85 HG SER 85 11.775 -8.085 0.253 614 H ALA 86 H ALA 86 14.384 -5.992 -3.192 615 HA ALA 86 HA ALA 86 14.918 -4.037 -1.190 616 HB1 ALA 86 3HB ALA 86 16.161 -2.878 -2.918 617 HB2 ALA 86 1HB ALA 86 15.278 -3.733 -4.183 618 HB3 ALA 86 2HB ALA 86 16.398 -4.611 -3.141 619 H GLU 87 H GLU 87 12.673 -4.048 -3.931 620 HA GLU 87 HA GLU 87 11.892 -1.292 -3.721 621 HB2 GLU 87 1HB GLU 87 10.420 -3.709 -4.810 622 HB3 GLU 87 2HB GLU 87 9.883 -2.043 -5.018 623 HG2 GLU 87 1HG GLU 87 12.573 -3.105 -5.936 624 HG3 GLU 87 2HG GLU 87 11.168 -2.901 -6.982 625 H LYS 88 H LYS 88 10.770 -4.254 -2.157 626 HA LYS 88 HA LYS 88 8.391 -3.198 -0.982 627 HB2 LYS 88 1HB LYS 88 8.988 -5.621 -1.067 628 HB3 LYS 88 2HB LYS 88 10.238 -5.323 0.141 629 HG2 LYS 88 1HG LYS 88 8.550 -4.542 1.736 630 HG3 LYS 88 2HG LYS 88 7.283 -4.766 0.532 631 HD2 LYS 88 1HD LYS 88 7.808 -7.186 0.441 632 HD3 LYS 88 2HD LYS 88 9.056 -6.952 1.666 633 HE2 LYS 88 1HE LYS 88 7.358 -6.148 3.258 634 HE3 LYS 88 2HE LYS 88 6.105 -6.359 2.035 635 HZ1 LYS 88 3HZ LYS 88 6.204 -8.246 3.540 636 HZ2 LYS 88 1HZ LYS 88 7.829 -8.514 3.133 637 HZ3 LYS 88 2HZ LYS 88 6.616 -8.714 1.960 638 H LEU 89 H LEU 89 11.727 -3.414 0.277 639 HA LEU 89 HA LEU 89 11.171 -2.205 2.806 640 HB2 LEU 89 1HB LEU 89 13.690 -2.310 1.127 641 HB3 LEU 89 2HB LEU 89 13.653 -1.684 2.771 642 HG LEU 89 HG LEU 89 12.725 -4.471 2.008 643 HD11 LEU 89 1HD1 LEU 89 15.149 -4.119 1.540 644 HD12 LEU 89 2HD1 LEU 89 14.874 -5.278 2.841 645 HD13 LEU 89 3HD1 LEU 89 15.379 -3.630 3.220 646 HD21 LEU 89 3HD2 LEU 89 13.296 -4.723 4.580 647 HD22 LEU 89 1HD2 LEU 89 11.756 -4.027 4.094 648 HD23 LEU 89 2HD2 LEU 89 13.076 -2.977 4.606 649 H ILE 90 H ILE 90 12.249 -0.811 -0.291 650 HA ILE 90 HA ILE 90 12.431 1.890 0.664 651 HB ILE 90 HB ILE 90 11.986 0.744 -2.107 652 HG12 ILE 90 1HG1 ILE 90 14.473 1.959 -0.870 653 HG13 ILE 90 2HG1 ILE 90 14.139 0.227 -0.862 654 HG21 ILE 90 1HG2 ILE 90 11.199 2.987 -2.226 655 HG22 ILE 90 2HG2 ILE 90 12.864 3.054 -2.800 656 HG23 ILE 90 3HG2 ILE 90 12.475 3.575 -1.161 657 HD11 ILE 90 3HD1 ILE 90 14.150 1.866 -3.405 658 HD12 ILE 90 1HD1 ILE 90 14.186 0.109 -3.250 659 HD13 ILE 90 2HD1 ILE 90 15.594 1.064 -2.787 660 H PHE 91 H PHE 91 9.848 0.104 -1.011 661 HA PHE 91 HA PHE 91 8.000 2.281 -1.151 662 HB2 PHE 91 1HB PHE 91 7.769 0.224 -2.495 663 HB3 PHE 91 2HB PHE 91 7.435 -0.694 -1.026 664 HD1 PHE 91 HD1 PHE 91 6.243 2.249 -3.002 665 HD2 PHE 91 HD2 PHE 91 5.237 -0.834 -0.187 666 HE1 PHE 91 HE1 PHE 91 3.857 2.905 -3.137 667 HE2 PHE 91 HE2 PHE 91 2.849 -0.180 -0.323 668 HZ PHE 91 HZ PHE 91 2.162 1.691 -1.799 669 H GLU 92 H GLU 92 8.458 -0.295 1.254 670 HA GLU 92 HA GLU 92 6.249 0.333 2.921 671 HB2 GLU 92 1HB GLU 92 7.731 -1.695 3.111 672 HB3 GLU 92 2HB GLU 92 8.970 -0.658 3.817 673 HG2 GLU 92 1HG GLU 92 7.777 -1.674 5.642 674 HG3 GLU 92 2HG GLU 92 7.270 0.013 5.574 675 H LEU 93 H LEU 93 9.535 1.637 2.804 676 HA LEU 93 HA LEU 93 9.363 3.275 5.136 677 HB2 LEU 93 1HB LEU 93 11.481 2.788 4.030 678 HB3 LEU 93 2HB LEU 93 10.950 3.633 2.580 679 HG LEU 93 HG LEU 93 10.769 5.259 5.073 680 HD11 LEU 93 1HD1 LEU 93 13.210 5.740 5.103 681 HD12 LEU 93 2HD1 LEU 93 13.466 4.411 3.973 682 HD13 LEU 93 3HD1 LEU 93 12.842 4.085 5.589 683 HD21 LEU 93 3HD2 LEU 93 12.243 5.929 2.517 684 HD22 LEU 93 1HD2 LEU 93 11.435 7.020 3.642 685 HD23 LEU 93 2HD2 LEU 93 10.483 5.980 2.587 686 H LYS 94 H LYS 94 8.608 3.939 1.723 687 HA LYS 94 HA LYS 94 7.912 6.691 2.092 688 HB2 LYS 94 1HB LYS 94 7.031 4.661 0.019 689 HB3 LYS 94 2HB LYS 94 6.685 6.388 -0.080 690 HG2 LYS 94 1HG LYS 94 9.096 6.888 -0.052 691 HG3 LYS 94 2HG LYS 94 9.458 5.168 0.081 692 HD2 LYS 94 1HD LYS 94 8.371 4.758 -2.088 693 HD3 LYS 94 2HD LYS 94 7.979 6.472 -2.222 694 HE2 LYS 94 1HE LYS 94 10.381 7.029 -2.179 695 HE3 LYS 94 2HE LYS 94 10.778 5.316 -2.048 696 HZ1 LYS 94 3HZ LYS 94 10.507 5.046 -4.220 697 HZ2 LYS 94 1HZ LYS 94 10.428 6.734 -4.364 698 HZ3 LYS 94 2HZ LYS 94 8.999 5.827 -4.215 699 H THR 95 H THR 95 6.005 3.696 2.218 700 HA THR 95 HA THR 95 3.446 4.948 2.546 701 HB THR 95 HB THR 95 2.838 2.708 3.581 702 HG1 THR 95 HG1 THR 95 4.596 1.876 4.416 703 HG21 THR 95 3HG2 THR 95 2.706 3.190 1.129 704 HG22 THR 95 1HG2 THR 95 3.064 1.499 1.477 705 HG23 THR 95 2HG2 THR 95 4.353 2.585 0.958 706 H ARG 96 H ARG 96 5.873 3.798 4.877 707 HA ARG 96 HA ARG 96 4.374 4.408 7.239 708 HB2 ARG 96 1HB ARG 96 7.342 4.179 6.692 709 HB3 ARG 96 2HB ARG 96 6.695 4.474 8.306 710 HG2 ARG 96 1HG ARG 96 5.397 2.396 8.194 711 HG3 ARG 96 2HG ARG 96 5.960 2.112 6.547 712 HD2 ARG 96 1HD ARG 96 7.826 2.372 8.924 713 HD3 ARG 96 2HD ARG 96 7.228 0.826 8.321 714 HE ARG 96 HE ARG 96 8.337 2.206 6.118 715 HH11 ARG 96 1HH2 ARG 96 9.267 0.844 9.149 716 HH12 ARG 96 2HH2 ARG 96 10.883 0.482 8.639 717 HH21 ARG 96 1HH1 ARG 96 10.442 1.741 5.441 718 HH22 ARG 96 2HH1 ARG 96 11.548 0.989 6.543 719 H ALA 97 H ALA 97 6.598 6.319 5.242 720 HA ALA 97 HA ALA 97 6.702 8.603 6.975 721 HB1 ALA 97 3HB ALA 97 7.661 9.751 5.103 722 HB2 ALA 97 1HB ALA 97 6.923 8.632 3.959 723 HB3 ALA 97 2HB ALA 97 8.230 8.086 5.008 724 H LEU 98 H LEU 98 4.619 7.804 4.190 725 HA LEU 98 HA LEU 98 3.126 10.251 4.225 726 HB2 LEU 98 1HB LEU 98 2.436 7.467 3.251 727 HB3 LEU 98 2HB LEU 98 1.399 8.865 2.985 728 HG LEU 98 HG LEU 98 4.306 8.753 2.125 729 HD11 LEU 98 1HD1 LEU 98 3.227 7.043 0.866 730 HD12 LEU 98 2HD1 LEU 98 3.265 8.451 -0.194 731 HD13 LEU 98 3HD1 LEU 98 1.773 8.018 0.643 732 HD21 LEU 98 3HD2 LEU 98 3.282 10.565 0.496 733 HD22 LEU 98 1HD2 LEU 98 3.708 11.023 2.140 734 HD23 LEU 98 2HD2 LEU 98 2.028 10.694 1.725 735 H ALA 99 H ALA 99 2.572 7.095 5.757 736 HA ALA 99 HA ALA 99 0.063 7.848 6.966 737 HB1 ALA 99 3HB ALA 99 1.983 5.726 7.942 738 HB2 ALA 99 1HB ALA 99 0.933 5.492 6.545 739 HB3 ALA 99 2HB ALA 99 0.231 5.768 8.140 740 H ARG 100 H ARG 100 3.357 7.494 8.301 741 HA ARG 100 HA ARG 100 2.668 8.511 10.898 742 HB2 ARG 100 1HB ARG 100 5.344 8.393 9.472 743 HB3 ARG 100 2HB ARG 100 5.129 8.687 11.194 744 HG2 ARG 100 1HG ARG 100 3.934 6.223 9.932 745 HG3 ARG 100 2HG ARG 100 5.640 6.250 10.367 746 HD2 ARG 100 1HD ARG 100 3.334 6.792 12.264 747 HD3 ARG 100 2HD ARG 100 4.287 5.314 12.200 748 HE ARG 100 HE ARG 100 5.152 7.885 13.332 749 HH11 ARG 100 1HH2 ARG 100 5.998 4.782 12.075 750 HH12 ARG 100 2HH2 ARG 100 7.524 4.723 12.892 751 HH21 ARG 100 1HH1 ARG 100 7.137 7.821 14.400 752 HH22 ARG 100 2HH1 ARG 100 8.168 6.442 14.209 753 H LEU 101 H LEU 101 3.970 10.001 7.967 754 HA LEU 101 HA LEU 101 4.450 12.248 7.478 755 HB2 LEU 101 1HB LEU 101 1.908 12.010 7.411 756 HB3 LEU 101 2HB LEU 101 1.896 12.707 9.027 757 HG LEU 101 HG LEU 101 3.316 14.623 7.992 758 HD11 LEU 101 1HD1 LEU 101 3.861 13.725 5.837 759 HD12 LEU 101 2HD1 LEU 101 2.667 14.983 5.550 760 HD13 LEU 101 3HD1 LEU 101 2.182 13.291 5.516 761 HD21 LEU 101 3HD2 LEU 101 1.255 15.792 7.251 762 HD22 LEU 101 1HD2 LEU 101 1.002 14.914 8.760 763 HD23 LEU 101 2HD2 LEU 101 0.401 14.250 7.241 764 H GLU 102 H GLU 102 6.117 11.754 9.445 765 HA GLU 102 HA GLU 102 5.640 13.754 11.621 766 HB2 GLU 102 1HB GLU 102 7.559 11.414 11.400 767 HB3 GLU 102 2HB GLU 102 7.545 12.558 12.745 768 HG2 GLU 102 1HG GLU 102 5.146 10.916 11.883 769 HG3 GLU 102 2HG GLU 102 6.223 10.469 13.205 770 H HIS 103 H HIS 103 6.194 15.583 10.303 771 HA HIS 103 HA HIS 103 8.870 15.690 9.080 772 HB2 HIS 103 1HB HIS 103 6.994 16.816 7.961 773 HB3 HIS 103 2HB HIS 103 6.719 17.810 9.395 774 HD1 HIS 103 HD1 HIS 103 7.477 20.100 8.645 775 HD2 HIS 103 HD2 HIS 103 10.252 17.134 7.709 776 HE1 HIS 103 HE1 HIS 103 9.539 21.295 7.781 777 H HIS 104 H HIS 104 7.926 18.637 10.467 778 HA HIS 104 HA HIS 104 10.204 18.556 12.334 779 HB2 HIS 104 1HB HIS 104 9.868 20.934 12.546 780 HB3 HIS 104 2HB HIS 104 9.699 20.534 10.838 781 HD1 HIS 104 HD1 HIS 104 7.249 20.507 9.852 782 HD2 HIS 104 HD2 HIS 104 7.523 21.908 13.770 783 HE1 HIS 104 HE1 HIS 104 5.041 21.638 10.365 784 H HIS 105 H HIS 105 7.347 17.234 12.590 785 HA HIS 105 HA HIS 105 6.048 18.370 14.846 786 HB2 HIS 105 1HB HIS 105 6.279 15.491 13.919 787 HB3 HIS 105 2HB HIS 105 5.201 16.016 15.212 788 HD1 HIS 105 HD1 HIS 105 5.723 16.285 11.492 789 HD2 HIS 105 HD2 HIS 105 2.901 17.432 14.339 790 HE1 HIS 105 HE1 HIS 105 3.689 17.079 10.206 791 H HIS 106 H HIS 106 8.699 16.025 14.582 792 HA HIS 106 HA HIS 106 10.070 15.073 16.239 793 HB2 HIS 106 1HB HIS 106 10.903 17.442 15.961 794 HB3 HIS 106 2HB HIS 106 9.931 17.882 17.365 795 HD1 HIS 106 HD1 HIS 106 10.777 17.165 19.673 796 HD2 HIS 106 HD2 HIS 106 13.109 15.674 16.555 797 HE1 HIS 106 HE1 HIS 106 12.845 16.167 20.739 798 H HIS 107 H HIS 107 7.375 14.554 16.754 799 HA HIS 107 HA HIS 107 7.402 14.451 19.728 800 HB2 HIS 107 1HB HIS 107 5.970 16.381 19.033 801 HB3 HIS 107 2HB HIS 107 4.967 15.261 18.107 802 HD1 HIS 107 HD1 HIS 107 6.283 15.533 21.687 803 HD2 HIS 107 HD2 HIS 107 2.902 14.239 19.620 804 HE1 HIS 107 HE1 HIS 107 4.616 14.780 23.440 805 H HIS 108 H HIS 108 6.693 12.511 20.497 806 HA HIS 108 HA HIS 108 6.551 10.229 18.874 807 HB2 HIS 108 1HB HIS 108 6.883 10.164 21.313 808 HB3 HIS 108 2HB HIS 108 5.216 10.691 21.555 809 HD1 HIS 108 HD1 HIS 108 7.124 7.825 19.927 810 HD2 HIS 108 HD2 HIS 108 3.393 8.606 21.613 811 HE1 HIS 108 HE1 HIS 108 5.877 5.622 19.959 Start of MODEL 17 1 H1 MET 1 1H MET 1 -25.946 -7.542 -32.866 2 H2 MET 1 2H MET 1 -25.719 -8.080 -34.461 3 H3 MET 1 3H MET 1 -27.125 -8.508 -33.609 4 HA MET 1 HA MET 1 -27.557 -6.748 -35.231 5 HB2 MET 1 1HB MET 1 -28.349 -5.021 -33.372 6 HB3 MET 1 2HB MET 1 -29.098 -6.610 -33.480 7 HG2 MET 1 1HG MET 1 -26.684 -6.136 -31.732 8 HG3 MET 1 2HG MET 1 -28.318 -5.828 -31.146 9 HE1 MET 1 3HE MET 1 -30.277 -7.718 -31.808 10 HE2 MET 1 1HE MET 1 -29.767 -7.455 -30.136 11 HE3 MET 1 2HE MET 1 -30.012 -9.091 -30.740 12 H SER 2 H SER 2 -24.983 -6.121 -32.919 13 HA SER 2 HA SER 2 -23.891 -4.077 -34.752 14 HB2 SER 2 1HB SER 2 -24.720 -3.525 -31.897 15 HB3 SER 2 2HB SER 2 -23.498 -2.557 -32.718 16 HG SER 2 HG SER 2 -26.209 -2.580 -33.008 17 H ASN 3 H ASN 3 -21.640 -3.766 -34.460 18 HA ASN 3 HA ASN 3 -20.302 -6.021 -33.103 19 HB2 ASN 3 1HB ASN 3 -19.659 -5.370 -35.406 20 HB3 ASN 3 2HB ASN 3 -19.161 -3.788 -34.807 21 HD21 ASN 3 2HD2 ASN 3 -17.301 -5.596 -36.062 22 HD22 ASN 3 1HD2 ASN 3 -16.176 -6.090 -34.890 23 H GLN 4 H GLN 4 -19.981 -5.711 -30.960 24 HA GLN 4 HA GLN 4 -18.345 -3.447 -30.081 25 HB2 GLN 4 1HB GLN 4 -20.700 -2.556 -29.998 26 HB3 GLN 4 2HB GLN 4 -21.098 -3.848 -28.866 27 HG2 GLN 4 1HG GLN 4 -20.583 -1.848 -27.589 28 HG3 GLN 4 2HG GLN 4 -19.280 -3.009 -27.351 29 HE21 GLN 4 2HE2 GLN 4 -20.090 0.124 -28.703 30 HE22 GLN 4 1HE2 GLN 4 -18.517 0.534 -29.196 31 H THR 5 H THR 5 -20.267 -6.304 -29.260 32 HA THR 5 HA THR 5 -18.572 -6.834 -26.881 33 HB THR 5 HB THR 5 -20.200 -8.393 -26.233 34 HG1 THR 5 HG1 THR 5 -20.242 -9.624 -28.092 35 HG21 THR 5 3HG2 THR 5 -21.850 -6.531 -27.951 36 HG22 THR 5 1HG2 THR 5 -21.062 -6.001 -26.464 37 HG23 THR 5 2HG2 THR 5 -22.297 -7.259 -26.408 38 H CYS 6 H CYS 6 -18.518 -7.424 -30.166 39 HA CYS 6 HA CYS 6 -17.626 -10.147 -30.293 40 HB2 CYS 6 1HB CYS 6 -17.077 -7.765 -32.090 41 HB3 CYS 6 2HB CYS 6 -16.641 -9.425 -32.492 42 HG CYS 6 HG CYS 6 -19.626 -8.917 -31.838 43 H VAL 7 H VAL 7 -15.964 -7.067 -29.797 44 HA VAL 7 HA VAL 7 -13.311 -8.239 -29.863 45 HB VAL 7 HB VAL 7 -12.565 -6.026 -29.057 46 HG11 VAL 7 1HG1 VAL 7 -14.723 -5.835 -31.181 47 HG12 VAL 7 2HG1 VAL 7 -13.082 -6.415 -31.465 48 HG13 VAL 7 3HG1 VAL 7 -13.355 -4.740 -30.981 49 HG21 VAL 7 3HG2 VAL 7 -14.406 -4.264 -28.838 50 HG22 VAL 7 1HG2 VAL 7 -14.283 -5.416 -27.507 51 HG23 VAL 7 2HG2 VAL 7 -15.544 -5.605 -28.724 52 H GLU 8 H GLU 8 -12.062 -8.931 -28.170 53 HA GLU 8 HA GLU 8 -13.299 -9.873 -25.796 54 HB2 GLU 8 1HB GLU 8 -11.026 -10.380 -25.034 55 HB3 GLU 8 2HB GLU 8 -11.210 -10.810 -26.733 56 HG2 GLU 8 1HG GLU 8 -10.193 -8.613 -27.357 57 HG3 GLU 8 2HG GLU 8 -9.909 -8.294 -25.646 58 H ASN 9 H ASN 9 -13.400 -9.078 -23.719 59 HA ASN 9 HA ASN 9 -13.085 -6.173 -23.414 60 HB2 ASN 9 1HB ASN 9 -14.030 -6.688 -21.096 61 HB3 ASN 9 2HB ASN 9 -15.079 -7.072 -22.461 62 HD21 ASN 9 2HD2 ASN 9 -15.804 -8.506 -20.341 63 HD22 ASN 9 1HD2 ASN 9 -15.200 -10.092 -20.367 64 H GLU 10 H GLU 10 -12.549 -8.045 -20.588 65 HA GLU 10 HA GLU 10 -10.128 -6.709 -19.941 66 HB2 GLU 10 1HB GLU 10 -11.308 -9.281 -18.854 67 HB3 GLU 10 2HB GLU 10 -9.953 -8.421 -18.122 68 HG2 GLU 10 1HG GLU 10 -12.694 -7.217 -18.608 69 HG3 GLU 10 2HG GLU 10 -12.140 -7.848 -17.059 70 H VAL 11 H VAL 11 -7.982 -7.419 -19.921 71 HA VAL 11 HA VAL 11 -7.343 -9.442 -21.997 72 HB VAL 11 HB VAL 11 -5.680 -7.367 -20.542 73 HG11 VAL 11 1HG1 VAL 11 -4.905 -9.519 -22.521 74 HG12 VAL 11 2HG1 VAL 11 -4.185 -9.179 -20.947 75 HG13 VAL 11 3HG1 VAL 11 -3.937 -8.063 -22.290 76 HG21 VAL 11 3HG2 VAL 11 -6.398 -7.641 -23.474 77 HG22 VAL 11 1HG2 VAL 11 -5.608 -6.271 -22.694 78 HG23 VAL 11 2HG2 VAL 11 -7.298 -6.633 -22.339 79 H CYS 12 H CYS 12 -6.655 -11.444 -21.439 80 HA CYS 12 HA CYS 12 -5.052 -11.951 -19.087 81 HB2 CYS 12 1HB CYS 12 -6.687 -13.440 -17.944 82 HB3 CYS 12 2HB CYS 12 -7.224 -11.761 -17.963 83 HG CYS 12 HG CYS 12 -9.135 -13.508 -18.781 84 H GLU 13 H GLU 13 -4.097 -14.001 -19.204 85 HA GLU 13 HA GLU 13 -4.454 -15.392 -21.793 86 HB2 GLU 13 1HB GLU 13 -2.389 -15.678 -19.584 87 HB3 GLU 13 2HB GLU 13 -2.372 -16.590 -21.093 88 HG2 GLU 13 1HG GLU 13 -0.949 -14.783 -21.589 89 HG3 GLU 13 2HG GLU 13 -2.489 -14.240 -22.242 90 H ALA 14 H ALA 14 -5.699 -17.158 -21.928 91 HA ALA 14 HA ALA 14 -6.956 -18.358 -19.641 92 HB1 ALA 14 3HB ALA 14 -6.707 -19.324 -22.503 93 HB2 ALA 14 1HB ALA 14 -8.030 -18.370 -21.833 94 HB3 ALA 14 2HB ALA 14 -7.780 -20.030 -21.293 95 H CYS 15 H CYS 15 -6.487 -20.257 -18.563 96 HA CYS 15 HA CYS 15 -4.222 -21.944 -19.473 97 HB2 CYS 15 1HB CYS 15 -4.355 -20.610 -16.749 98 HB3 CYS 15 2HB CYS 15 -3.174 -21.830 -17.223 99 HG CYS 15 HG CYS 15 -2.879 -19.750 -19.254 100 H GLY 16 H GLY 16 -6.255 -21.459 -16.568 101 HA2 GLY 16 1HA GLY 16 -6.545 -24.282 -16.093 102 HA3 GLY 16 2HA GLY 16 -7.468 -23.009 -15.303 103 H CYS 17 H CYS 17 -8.232 -25.662 -16.576 104 HA CYS 17 HA CYS 17 -9.828 -25.122 -18.910 105 HB2 CYS 17 1HB CYS 17 -11.022 -27.292 -18.077 106 HB3 CYS 17 2HB CYS 17 -9.327 -27.400 -18.555 107 HG CYS 17 HG CYS 17 -10.390 -27.816 -15.733 108 H ALA 18 H ALA 18 -10.458 -25.014 -15.434 109 HA ALA 18 HA ALA 18 -13.282 -24.788 -15.540 110 HB1 ALA 18 3HB ALA 18 -12.217 -25.193 -13.427 111 HB2 ALA 18 1HB ALA 18 -13.009 -23.623 -13.309 112 HB3 ALA 18 2HB ALA 18 -11.265 -23.713 -13.555 113 H GLY 19 H GLY 19 -14.657 -23.046 -15.749 114 HA2 GLY 19 1HA GLY 19 -13.575 -20.674 -17.102 115 HA3 GLY 19 2HA GLY 19 -15.282 -21.042 -16.847 116 H GLU 20 H GLU 20 -13.758 -21.535 -13.947 117 HA GLU 20 HA GLU 20 -15.036 -19.404 -12.611 118 HB2 GLU 20 1HB GLU 20 -12.540 -20.938 -11.822 119 HB3 GLU 20 2HB GLU 20 -13.460 -19.900 -10.733 120 HG2 GLU 20 1HG GLU 20 -14.590 -22.307 -12.190 121 HG3 GLU 20 2HG GLU 20 -14.083 -22.301 -10.503 122 H ILE 21 H ILE 21 -14.537 -17.297 -12.305 123 HA ILE 21 HA ILE 21 -11.978 -16.284 -13.473 124 HB ILE 21 HB ILE 21 -14.565 -14.844 -12.822 125 HG12 ILE 21 1HG1 ILE 21 -13.329 -15.502 -15.509 126 HG13 ILE 21 2HG1 ILE 21 -14.577 -16.491 -14.751 127 HG21 ILE 21 1HG2 ILE 21 -13.451 -13.030 -14.209 128 HG22 ILE 21 2HG2 ILE 21 -11.951 -13.947 -14.063 129 HG23 ILE 21 3HG2 ILE 21 -12.732 -13.300 -12.621 130 HD11 ILE 21 3HD1 ILE 21 -14.828 -13.562 -15.493 131 HD12 ILE 21 1HD1 ILE 21 -16.067 -14.505 -14.665 132 HD13 ILE 21 2HD1 ILE 21 -15.604 -14.914 -16.317 133 H GLY 22 H GLY 22 -10.463 -15.466 -12.122 134 HA2 GLY 22 1HA GLY 22 -11.022 -13.977 -9.762 135 HA3 GLY 22 2HA GLY 22 -10.671 -15.643 -9.303 136 H PHE 23 H PHE 23 -8.969 -13.701 -8.429 137 HA PHE 23 HA PHE 23 -6.566 -13.914 -10.210 138 HB2 PHE 23 1HB PHE 23 -5.733 -11.916 -9.102 139 HB3 PHE 23 2HB PHE 23 -7.361 -11.594 -9.698 140 HD1 PHE 23 HD1 PHE 23 -5.296 -12.196 -6.704 141 HD2 PHE 23 HD2 PHE 23 -9.249 -11.357 -8.166 142 HE1 PHE 23 HE1 PHE 23 -6.021 -11.604 -4.406 143 HE2 PHE 23 HE2 PHE 23 -9.973 -10.767 -5.866 144 HZ PHE 23 HZ PHE 23 -8.358 -10.889 -3.988 145 H ILE 24 H ILE 24 -4.834 -15.006 -9.429 146 HA ILE 24 HA ILE 24 -4.758 -15.719 -6.517 147 HB ILE 24 HB ILE 24 -5.543 -17.656 -7.886 148 HG12 ILE 24 1HG1 ILE 24 -2.699 -18.068 -6.933 149 HG13 ILE 24 2HG1 ILE 24 -4.054 -17.854 -5.824 150 HG21 ILE 24 1HG2 ILE 24 -4.236 -16.890 -9.943 151 HG22 ILE 24 2HG2 ILE 24 -4.151 -18.615 -9.584 152 HG23 ILE 24 3HG2 ILE 24 -2.802 -17.558 -9.167 153 HD11 ILE 24 3HD1 ILE 24 -3.589 -20.250 -6.222 154 HD12 ILE 24 1HD1 ILE 24 -3.854 -20.008 -7.950 155 HD13 ILE 24 2HD1 ILE 24 -5.188 -19.800 -6.816 156 H ILE 25 H ILE 25 -3.029 -15.217 -9.545 157 HA ILE 25 HA ILE 25 -0.828 -14.609 -9.992 158 HB ILE 25 HB ILE 25 -1.028 -13.499 -7.172 159 HG12 ILE 25 1HG1 ILE 25 -1.304 -12.093 -9.844 160 HG13 ILE 25 2HG1 ILE 25 -2.688 -12.704 -8.937 161 HG21 ILE 25 1HG2 ILE 25 0.799 -11.952 -8.130 162 HG22 ILE 25 2HG2 ILE 25 1.000 -13.168 -9.392 163 HG23 ILE 25 3HG2 ILE 25 1.289 -13.592 -7.704 164 HD11 ILE 25 3HD1 ILE 25 -0.658 -10.847 -7.686 165 HD12 ILE 25 1HD1 ILE 25 -2.282 -11.232 -7.116 166 HD13 ILE 25 2HD1 ILE 25 -2.066 -10.241 -8.559 167 H ARG 26 H ARG 26 1.429 -15.135 -9.499 168 HA ARG 26 HA ARG 26 1.622 -17.732 -8.109 169 HB2 ARG 26 1HB ARG 26 3.598 -16.167 -9.794 170 HB3 ARG 26 2HB ARG 26 3.935 -17.747 -9.085 171 HG2 ARG 26 1HG ARG 26 2.048 -18.726 -10.322 172 HG3 ARG 26 2HG ARG 26 1.655 -17.146 -10.997 173 HD2 ARG 26 1HD ARG 26 2.933 -18.403 -12.646 174 HD3 ARG 26 2HD ARG 26 3.930 -17.079 -12.047 175 HE ARG 26 HE ARG 26 4.406 -19.427 -10.473 176 HH11 ARG 26 1HH2 ARG 26 4.945 -18.054 -13.599 177 HH12 ARG 26 2HH2 ARG 26 6.409 -18.938 -13.874 178 HH21 ARG 26 1HH1 ARG 26 6.308 -20.583 -10.827 179 HH22 ARG 26 2HH1 ARG 26 7.180 -20.367 -12.309 180 H GLU 27 H GLU 27 2.698 -18.068 -6.215 181 HA GLU 27 HA GLU 27 3.389 -15.733 -4.606 182 HB2 GLU 27 1HB GLU 27 3.482 -18.710 -4.069 183 HB3 GLU 27 2HB GLU 27 3.921 -17.490 -2.871 184 HG2 GLU 27 1HG GLU 27 1.692 -16.492 -3.027 185 HG3 GLU 27 2HG GLU 27 1.246 -17.640 -4.288 186 H GLY 28 H GLY 28 5.428 -15.158 -3.862 187 HA2 GLY 28 1HA GLY 28 7.803 -16.638 -4.033 188 HA3 GLY 28 2HA GLY 28 7.668 -15.756 -5.554 189 H ASP 29 H ASP 29 9.767 -14.917 -4.359 190 HA ASP 29 HA ASP 29 9.397 -12.953 -2.263 191 HB2 ASP 29 1HB ASP 29 11.649 -13.517 -4.206 192 HB3 ASP 29 2HB ASP 29 11.749 -12.286 -2.946 193 H ASP 30 H ASP 30 8.640 -12.985 -5.537 194 HA ASP 30 HA ASP 30 9.115 -10.118 -6.016 195 HB2 ASP 30 1HB ASP 30 7.957 -10.602 -8.194 196 HB3 ASP 30 2HB ASP 30 9.368 -11.622 -7.910 197 H VAL 31 H VAL 31 6.942 -11.804 -4.233 198 HA VAL 31 HA VAL 31 4.769 -9.788 -4.689 199 HB VAL 31 HB VAL 31 4.540 -12.748 -4.087 200 HG11 VAL 31 1HG1 VAL 31 2.519 -10.509 -3.846 201 HG12 VAL 31 2HG1 VAL 31 2.936 -11.732 -2.645 202 HG13 VAL 31 3HG1 VAL 31 2.029 -12.185 -4.088 203 HG21 VAL 31 3HG2 VAL 31 3.197 -11.101 -6.243 204 HG22 VAL 31 1HG2 VAL 31 3.368 -12.854 -6.163 205 HG23 VAL 31 2HG2 VAL 31 4.778 -11.845 -6.484 206 H ALA 32 H ALA 32 4.145 -8.702 -2.894 207 HA ALA 32 HA ALA 32 4.869 -9.801 -0.215 208 HB1 ALA 32 3HB ALA 32 5.890 -7.775 0.478 209 HB2 ALA 32 1HB ALA 32 5.320 -6.903 -0.944 210 HB3 ALA 32 2HB ALA 32 6.590 -8.115 -1.103 211 H GLU 33 H GLU 33 3.522 -9.038 1.473 212 HA GLU 33 HA GLU 33 0.885 -8.067 0.541 213 HB2 GLU 33 1HB GLU 33 0.139 -8.714 2.821 214 HB3 GLU 33 2HB GLU 33 0.899 -10.050 1.956 215 HG2 GLU 33 1HG GLU 33 3.037 -9.565 3.120 216 HG3 GLU 33 2HG GLU 33 2.238 -8.275 4.019 217 H VAL 34 H VAL 34 -0.090 -6.180 1.346 218 HA VAL 34 HA VAL 34 1.719 -4.337 2.896 219 HB VAL 34 HB VAL 34 -0.339 -3.690 0.767 220 HG11 VAL 34 1HG1 VAL 34 -0.417 -1.938 2.390 221 HG12 VAL 34 2HG1 VAL 34 0.643 -1.352 1.108 222 HG13 VAL 34 3HG1 VAL 34 1.333 -1.972 2.607 223 HG21 VAL 34 3HG2 VAL 34 1.874 -4.612 -0.002 224 HG22 VAL 34 1HG2 VAL 34 2.657 -3.254 0.806 225 HG23 VAL 34 2HG2 VAL 34 1.562 -2.961 -0.543 226 H SER 35 H SER 35 0.904 -3.729 4.816 227 HA SER 35 HA SER 35 -2.037 -4.062 5.318 228 HB2 SER 35 1HB SER 35 -0.802 -5.639 6.662 229 HB3 SER 35 2HB SER 35 0.342 -4.398 7.163 230 HG SER 35 HG SER 35 -2.138 -5.003 8.127 231 H LEU 36 H LEU 36 -3.094 -2.231 5.804 232 HA LEU 36 HA LEU 36 -1.509 0.125 6.777 233 HB2 LEU 36 1HB LEU 36 -2.223 0.387 4.404 234 HB3 LEU 36 2HB LEU 36 -3.897 0.177 4.909 235 HG LEU 36 HG LEU 36 -3.666 2.155 6.411 236 HD11 LEU 36 1HD1 LEU 36 -1.568 3.628 5.700 237 HD12 LEU 36 2HD1 LEU 36 -0.861 2.051 5.353 238 HD13 LEU 36 3HD1 LEU 36 -1.432 2.425 6.979 239 HD21 LEU 36 3HD2 LEU 36 -4.478 2.305 4.027 240 HD22 LEU 36 1HD2 LEU 36 -2.848 2.799 3.569 241 HD23 LEU 36 2HD2 LEU 36 -3.797 3.797 4.668 242 H PHE 37 H PHE 37 -2.432 1.313 8.420 243 HA PHE 37 HA PHE 37 -4.865 0.128 9.690 244 HB2 PHE 37 1HB PHE 37 -2.706 1.930 10.826 245 HB3 PHE 37 2HB PHE 37 -4.063 1.261 11.733 246 HD1 PHE 37 HD1 PHE 37 -0.875 0.500 10.050 247 HD2 PHE 37 HD2 PHE 37 -4.179 -1.118 12.266 248 HE1 PHE 37 HE1 PHE 37 0.403 -1.591 10.428 249 HE2 PHE 37 HE2 PHE 37 -2.902 -3.209 12.644 250 HZ PHE 37 HZ PHE 37 -0.611 -3.446 11.725 251 H GLY 38 H GLY 38 -6.597 1.481 10.286 252 HA2 GLY 38 1HA GLY 38 -6.539 4.343 10.043 253 HA3 GLY 38 2HA GLY 38 -7.274 3.628 8.610 254 H SER 39 H SER 39 -9.000 5.119 9.858 255 HA SER 39 HA SER 39 -10.401 3.795 12.045 256 HB2 SER 39 1HB SER 39 -10.523 6.198 11.931 257 HB3 SER 39 2HB SER 39 -11.068 6.145 10.256 258 HG SER 39 HG SER 39 -13.013 5.967 10.997 259 H ASP 40 H ASP 40 -12.393 5.008 9.507 260 HA ASP 40 HA ASP 40 -13.694 2.388 9.255 261 HB2 ASP 40 1HB ASP 40 -15.384 3.598 7.955 262 HB3 ASP 40 2HB ASP 40 -15.039 4.458 9.454 263 H LYS 41 H LYS 41 -14.452 1.863 6.894 264 HA LYS 41 HA LYS 41 -12.145 1.158 5.356 265 HB2 LYS 41 1HB LYS 41 -14.349 -0.033 5.284 266 HB3 LYS 41 2HB LYS 41 -15.021 1.351 4.420 267 HG2 LYS 41 1HG LYS 41 -13.406 1.041 2.604 268 HG3 LYS 41 2HG LYS 41 -12.662 -0.303 3.471 269 HD2 LYS 41 1HD LYS 41 -14.800 -1.546 3.372 270 HD3 LYS 41 2HD LYS 41 -15.531 -0.208 2.485 271 HE2 LYS 41 1HE LYS 41 -13.886 -0.496 0.675 272 HE3 LYS 41 2HE LYS 41 -13.133 -1.820 1.562 273 HZ1 LYS 41 3HZ LYS 41 -15.904 -2.276 1.370 274 HZ2 LYS 41 1HZ LYS 41 -14.630 -3.208 0.748 275 HZ3 LYS 41 2HZ LYS 41 -15.293 -1.949 -0.182 276 H ALA 42 H ALA 42 -14.542 3.747 5.013 277 HA ALA 42 HA ALA 42 -13.752 4.834 2.546 278 HB1 ALA 42 3HB ALA 42 -14.502 6.492 4.961 279 HB2 ALA 42 1HB ALA 42 -15.686 5.536 4.066 280 HB3 ALA 42 2HB ALA 42 -14.821 6.847 3.264 281 H HIS 43 H HIS 43 -12.418 5.448 5.789 282 HA HIS 43 HA HIS 43 -10.515 7.431 5.007 283 HB2 HIS 43 1HB HIS 43 -11.161 6.961 7.358 284 HB3 HIS 43 2HB HIS 43 -10.340 5.405 7.255 285 HD1 HIS 43 HD1 HIS 43 -8.036 5.477 8.172 286 HD2 HIS 43 HD2 HIS 43 -9.141 9.148 6.536 287 HE1 HIS 43 HE1 HIS 43 -6.067 7.033 8.508 288 H LEU 44 H LEU 44 -10.269 3.897 5.299 289 HA LEU 44 HA LEU 44 -7.504 3.690 4.594 290 HB2 LEU 44 1HB LEU 44 -9.811 1.749 4.307 291 HB3 LEU 44 2HB LEU 44 -8.137 1.313 3.989 292 HG LEU 44 HG LEU 44 -9.080 2.485 6.623 293 HD11 LEU 44 1HD1 LEU 44 -8.837 0.090 7.443 294 HD12 LEU 44 2HD1 LEU 44 -8.793 -0.401 5.750 295 HD13 LEU 44 3HD1 LEU 44 -10.225 0.389 6.401 296 HD21 LEU 44 3HD2 LEU 44 -6.897 1.213 7.332 297 HD22 LEU 44 1HD2 LEU 44 -6.741 2.765 6.523 298 HD23 LEU 44 2HD2 LEU 44 -6.500 1.273 5.619 299 H GLU 45 H GLU 45 -10.467 3.687 2.655 300 HA GLU 45 HA GLU 45 -9.301 3.039 0.148 301 HB2 GLU 45 1HB GLU 45 -11.690 4.744 0.873 302 HB3 GLU 45 2HB GLU 45 -11.274 4.336 -0.791 303 HG2 GLU 45 1HG GLU 45 -11.450 1.944 -0.269 304 HG3 GLU 45 2HG GLU 45 -11.805 2.323 1.413 305 H GLY 46 H GLY 46 -9.606 6.141 1.841 306 HA2 GLY 46 1HA GLY 46 -8.709 7.802 -0.310 307 HA3 GLY 46 2HA GLY 46 -8.628 8.227 1.400 308 H LYS 47 H LYS 47 -6.919 6.453 2.471 309 HA LYS 47 HA LYS 47 -4.341 7.338 1.553 310 HB2 LYS 47 1HB LYS 47 -5.213 5.205 3.502 311 HB3 LYS 47 2HB LYS 47 -3.513 5.558 3.177 312 HG2 LYS 47 1HG LYS 47 -3.905 7.924 3.817 313 HG3 LYS 47 2HG LYS 47 -5.583 7.531 4.189 314 HD2 LYS 47 1HD LYS 47 -4.876 5.963 5.922 315 HD3 LYS 47 2HD LYS 47 -3.181 6.234 5.510 316 HE2 LYS 47 1HE LYS 47 -3.416 8.617 6.121 317 HE3 LYS 47 2HE LYS 47 -5.103 8.338 6.549 318 HZ1 LYS 47 3HZ LYS 47 -4.333 6.693 8.187 319 HZ2 LYS 47 1HZ LYS 47 -3.752 8.252 8.514 320 HZ3 LYS 47 2HZ LYS 47 -2.724 7.092 7.817 321 H LEU 48 H LEU 48 -6.272 4.468 0.998 322 HA LEU 48 HA LEU 48 -4.301 2.757 -0.086 323 HB2 LEU 48 1HB LEU 48 -6.604 2.021 0.401 324 HB3 LEU 48 2HB LEU 48 -7.212 3.063 -0.884 325 HG LEU 48 HG LEU 48 -5.980 1.777 -2.563 326 HD11 LEU 48 1HD1 LEU 48 -4.020 0.993 -1.572 327 HD12 LEU 48 2HD1 LEU 48 -4.983 -0.479 -1.626 328 HD13 LEU 48 3HD1 LEU 48 -4.850 0.431 -0.122 329 HD21 LEU 48 3HD2 LEU 48 -8.190 0.958 -2.136 330 HD22 LEU 48 1HD2 LEU 48 -7.681 0.166 -0.646 331 HD23 LEU 48 2HD2 LEU 48 -7.147 -0.463 -2.205 332 H ALA 49 H ALA 49 -6.228 5.315 -1.620 333 HA ALA 49 HA ALA 49 -5.408 4.875 -4.303 334 HB1 ALA 49 3HB ALA 49 -6.214 7.082 -4.735 335 HB2 ALA 49 1HB ALA 49 -5.912 7.592 -3.074 336 HB3 ALA 49 2HB ALA 49 -7.218 6.459 -3.427 337 H GLU 50 H GLU 50 -3.905 6.737 -1.680 338 HA GLU 50 HA GLU 50 -1.771 7.817 -3.301 339 HB2 GLU 50 1HB GLU 50 -2.061 7.411 -0.313 340 HB3 GLU 50 2HB GLU 50 -0.691 8.240 -1.054 341 HG2 GLU 50 1HG GLU 50 -2.186 9.904 -2.040 342 HG3 GLU 50 2HG GLU 50 -3.593 9.046 -1.412 343 H TYR 51 H TYR 51 -2.113 4.936 -1.266 344 HA TYR 51 HA TYR 51 0.604 4.068 -1.364 345 HB2 TYR 51 1HB TYR 51 -2.053 2.746 -0.878 346 HB3 TYR 51 2HB TYR 51 -0.640 1.719 -1.109 347 HD1 TYR 51 HD2 TYR 51 -1.101 5.039 0.591 348 HD2 TYR 51 HD1 TYR 51 0.067 0.917 0.980 349 HE1 TYR 51 HE2 TYR 51 -0.410 5.456 2.929 350 HE2 TYR 51 HE1 TYR 51 0.756 1.342 3.322 351 HH TYR 51 HH TYR 51 1.305 4.332 4.557 352 H ILE 52 H ILE 52 -2.171 3.213 -3.441 353 HA ILE 52 HA ILE 52 -0.678 1.513 -5.201 354 HB ILE 52 HB ILE 52 -3.240 3.081 -5.601 355 HG12 ILE 52 1HG1 ILE 52 -2.834 0.105 -5.204 356 HG13 ILE 52 2HG1 ILE 52 -3.132 1.214 -3.864 357 HG21 ILE 52 1HG2 ILE 52 -1.819 1.082 -7.365 358 HG22 ILE 52 2HG2 ILE 52 -2.420 2.684 -7.794 359 HG23 ILE 52 3HG2 ILE 52 -3.553 1.369 -7.491 360 HD11 ILE 52 3HD1 ILE 52 -5.247 0.221 -4.606 361 HD12 ILE 52 1HD1 ILE 52 -4.949 0.773 -6.254 362 HD13 ILE 52 2HD1 ILE 52 -5.237 1.947 -4.968 363 H SER 53 H SER 53 -1.568 4.948 -5.375 364 HA SER 53 HA SER 53 -0.396 5.482 -7.923 365 HB2 SER 53 1HB SER 53 -0.800 7.318 -5.547 366 HB3 SER 53 2HB SER 53 -0.434 7.850 -7.185 367 HG SER 53 HG SER 53 -2.625 6.160 -6.603 368 H LEU 54 H LEU 54 0.916 5.671 -4.628 369 HA LEU 54 HA LEU 54 3.457 6.755 -5.345 370 HB2 LEU 54 1HB LEU 54 2.656 6.715 -3.022 371 HB3 LEU 54 2HB LEU 54 2.691 4.953 -3.028 372 HG LEU 54 HG LEU 54 5.125 4.975 -3.359 373 HD11 LEU 54 1HD1 LEU 54 6.205 7.350 -3.004 374 HD12 LEU 54 2HD1 LEU 54 4.657 7.938 -3.611 375 HD13 LEU 54 3HD1 LEU 54 5.653 6.877 -4.609 376 HD21 LEU 54 3HD2 LEU 54 4.528 6.916 -1.124 377 HD22 LEU 54 1HD2 LEU 54 5.720 5.618 -1.162 378 HD23 LEU 54 2HD2 LEU 54 4.006 5.233 -1.043 379 H ALA 55 H ALA 55 2.304 3.416 -5.020 380 HA ALA 55 HA ALA 55 4.804 2.118 -5.464 381 HB1 ALA 55 3HB ALA 55 2.594 1.099 -4.662 382 HB2 ALA 55 1HB ALA 55 3.514 0.141 -5.822 383 HB3 ALA 55 2HB ALA 55 2.113 1.067 -6.358 384 H LYS 56 H LYS 56 2.275 3.195 -7.708 385 HA LYS 56 HA LYS 56 3.461 2.117 -10.071 386 HB2 LYS 56 1HB LYS 56 1.561 4.422 -9.619 387 HB3 LYS 56 2HB LYS 56 2.042 3.881 -11.227 388 HG2 LYS 56 1HG LYS 56 1.194 1.620 -10.723 389 HG3 LYS 56 2HG LYS 56 0.715 2.157 -9.112 390 HD2 LYS 56 1HD LYS 56 -0.829 3.796 -10.098 391 HD3 LYS 56 2HD LYS 56 -0.332 3.306 -11.718 392 HE2 LYS 56 1HE LYS 56 -1.149 1.017 -11.276 393 HE3 LYS 56 2HE LYS 56 -1.655 1.510 -9.663 394 HZ1 LYS 56 3HZ LYS 56 -2.894 2.020 -12.221 395 HZ2 LYS 56 1HZ LYS 56 -2.818 3.372 -11.202 396 HZ3 LYS 56 2HZ LYS 56 -3.587 1.952 -10.672 397 H GLN 57 H GLN 57 3.760 5.305 -8.509 398 HA GLN 57 HA GLN 57 5.410 6.479 -10.536 399 HB2 GLN 57 1HB GLN 57 4.275 7.796 -8.761 400 HB3 GLN 57 2HB GLN 57 5.351 7.076 -7.562 401 HG2 GLN 57 1HG GLN 57 7.295 8.058 -8.618 402 HG3 GLN 57 2HG GLN 57 6.322 8.643 -9.967 403 HE21 GLN 57 2HE2 GLN 57 7.871 10.433 -8.358 404 HE22 GLN 57 1HE2 GLN 57 6.808 11.435 -7.493 405 H VAL 58 H VAL 58 6.180 4.671 -7.573 406 HA VAL 58 HA VAL 58 9.036 4.937 -7.823 407 HB VAL 58 HB VAL 58 7.329 2.886 -6.389 408 HG11 VAL 58 1HG1 VAL 58 9.517 2.566 -5.071 409 HG12 VAL 58 2HG1 VAL 58 10.315 3.357 -6.430 410 HG13 VAL 58 3HG1 VAL 58 9.444 1.844 -6.678 411 HG21 VAL 58 3HG2 VAL 58 7.752 4.216 -4.429 412 HG22 VAL 58 1HG2 VAL 58 7.197 5.320 -5.688 413 HG23 VAL 58 2HG2 VAL 58 8.914 5.224 -5.292 414 H TYR 59 H TYR 59 6.763 2.346 -8.757 415 HA TYR 59 HA TYR 59 8.955 1.061 -10.344 416 HB2 TYR 59 1HB TYR 59 7.791 -0.269 -8.528 417 HB3 TYR 59 2HB TYR 59 6.326 -0.166 -9.506 418 HD1 TYR 59 HD1 TYR 59 9.895 -1.253 -9.598 419 HD2 TYR 59 HD2 TYR 59 5.986 -1.637 -11.335 420 HE1 TYR 59 HE1 TYR 59 10.694 -3.151 -10.977 421 HE2 TYR 59 HE2 TYR 59 6.783 -3.537 -12.714 422 HH TYR 59 HH TYR 59 10.175 -4.635 -12.536 423 H ALA 60 H ALA 60 5.429 1.518 -10.485 424 HA ALA 60 HA ALA 60 4.108 2.304 -12.276 425 HB1 ALA 60 3HB ALA 60 5.059 3.367 -14.102 426 HB2 ALA 60 1HB ALA 60 6.386 2.215 -14.227 427 HB3 ALA 60 2HB ALA 60 6.409 3.455 -12.972 428 H ASN 61 H ASN 61 2.917 1.187 -13.826 429 HA ASN 61 HA ASN 61 2.122 -0.713 -14.934 430 HB2 ASN 61 1HB ASN 61 5.045 -1.440 -15.302 431 HB3 ASN 61 2HB ASN 61 3.683 -1.941 -16.297 432 HD21 ASN 61 2HD2 ASN 61 2.539 0.921 -16.012 433 HD22 ASN 61 1HD2 ASN 61 3.441 1.827 -17.129 434 H VAL 62 H VAL 62 2.582 -0.744 -12.067 435 HA VAL 62 HA VAL 62 3.543 -3.473 -11.470 436 HB VAL 62 HB VAL 62 4.072 -1.463 -10.015 437 HG11 VAL 62 1HG1 VAL 62 2.413 -0.541 -8.595 438 HG12 VAL 62 2HG1 VAL 62 1.262 -1.825 -8.969 439 HG13 VAL 62 3HG1 VAL 62 1.649 -0.607 -10.183 440 HG21 VAL 62 3HG2 VAL 62 4.286 -3.802 -9.233 441 HG22 VAL 62 1HG2 VAL 62 2.599 -3.777 -8.720 442 HG23 VAL 62 2HG2 VAL 62 3.777 -2.732 -7.928 443 H GLU 63 H GLU 63 2.224 -5.042 -10.425 444 HA GLU 63 HA GLU 63 -0.717 -4.715 -10.924 445 HB2 GLU 63 1HB GLU 63 1.061 -7.167 -10.954 446 HB3 GLU 63 2HB GLU 63 -0.702 -7.234 -11.018 447 HG2 GLU 63 1HG GLU 63 -0.709 -5.891 -13.062 448 HG3 GLU 63 2HG GLU 63 1.045 -5.724 -12.983 449 H TYR 64 H TYR 64 -2.030 -4.888 -9.181 450 HA TYR 64 HA TYR 64 -1.017 -6.193 -6.707 451 HB2 TYR 64 1HB TYR 64 -1.763 -4.278 -5.343 452 HB3 TYR 64 2HB TYR 64 -0.496 -3.795 -6.469 453 HD1 TYR 64 HD1 TYR 64 -1.023 -2.445 -8.466 454 HD2 TYR 64 HD2 TYR 64 -4.050 -3.495 -5.603 455 HE1 TYR 64 HE1 TYR 64 -2.523 -0.713 -9.417 456 HE2 TYR 64 HE2 TYR 64 -5.550 -1.764 -6.556 457 HH TYR 64 HH TYR 64 -5.852 -0.315 -8.236 458 H GLU 65 H GLU 65 -2.792 -6.585 -5.158 459 HA GLU 65 HA GLU 65 -5.515 -6.530 -6.372 460 HB2 GLU 65 1HB GLU 65 -4.171 -8.960 -5.144 461 HB3 GLU 65 2HB GLU 65 -5.865 -8.876 -5.630 462 HG2 GLU 65 1HG GLU 65 -3.502 -8.465 -7.487 463 HG3 GLU 65 2HG GLU 65 -4.448 -9.946 -7.368 464 H VAL 66 H VAL 66 -7.205 -6.762 -4.772 465 HA VAL 66 HA VAL 66 -6.313 -6.133 -1.978 466 HB VAL 66 HB VAL 66 -7.141 -4.091 -2.960 467 HG11 VAL 66 1HG1 VAL 66 -9.278 -3.925 -4.066 468 HG12 VAL 66 2HG1 VAL 66 -9.679 -5.592 -3.655 469 HG13 VAL 66 3HG1 VAL 66 -8.399 -5.252 -4.819 470 HG21 VAL 66 3HG2 VAL 66 -7.910 -4.834 -0.625 471 HG22 VAL 66 1HG2 VAL 66 -9.453 -5.234 -1.381 472 HG23 VAL 66 2HG2 VAL 66 -8.866 -3.571 -1.400 473 H ALA 67 H ALA 67 -7.209 -7.376 -0.438 474 HA ALA 67 HA ALA 67 -9.077 -9.475 -1.274 475 HB1 ALA 67 3HB ALA 67 -8.187 -10.664 0.464 476 HB2 ALA 67 1HB ALA 67 -8.410 -9.335 1.602 477 HB3 ALA 67 2HB ALA 67 -6.996 -9.369 0.555 478 HA PRO 68 HA PRO 68 -12.890 -7.907 0.307 479 HB2 PRO 68 1HB PRO 68 -12.975 -9.962 2.484 480 HB3 PRO 68 2HB PRO 68 -14.165 -9.618 1.213 481 HG2 PRO 68 1HG PRO 68 -12.588 -11.771 1.106 482 HG3 PRO 68 2HG PRO 68 -13.049 -10.882 -0.358 483 HD2 PRO 68 1HD PRO 68 -10.428 -10.891 1.093 484 HD3 PRO 68 2HD PRO 68 -10.766 -10.739 -0.644 485 H VAL 69 H VAL 69 -13.322 -6.174 1.604 486 HA VAL 69 HA VAL 69 -12.045 -6.032 4.310 487 HB VAL 69 HB VAL 69 -12.158 -3.888 2.175 488 HG11 VAL 69 1HG1 VAL 69 -12.737 -2.744 4.181 489 HG12 VAL 69 2HG1 VAL 69 -10.996 -2.519 4.023 490 HG13 VAL 69 3HG1 VAL 69 -11.629 -3.718 5.149 491 HG21 VAL 69 3HG2 VAL 69 -10.285 -5.651 2.260 492 HG22 VAL 69 1HG2 VAL 69 -9.802 -4.901 3.782 493 HG23 VAL 69 2HG2 VAL 69 -9.777 -3.965 2.289 494 H ALA 70 H ALA 70 -13.424 -5.456 5.894 495 HA ALA 70 HA ALA 70 -16.245 -5.183 5.306 496 HB1 ALA 70 3HB ALA 70 -16.559 -5.228 7.655 497 HB2 ALA 70 1HB ALA 70 -14.942 -4.601 7.969 498 HB3 ALA 70 2HB ALA 70 -15.149 -6.249 7.378 499 H ASP 71 H ASP 71 -17.577 -3.359 5.897 500 HA ASP 71 HA ASP 71 -16.616 -0.831 4.983 501 HB2 ASP 71 1HB ASP 71 -19.055 -1.643 6.577 502 HB3 ASP 71 2HB ASP 71 -18.780 0.012 6.040 503 H ASN 72 H ASN 72 -17.066 -2.137 8.266 504 HA ASN 72 HA ASN 72 -16.010 0.381 9.442 505 HB2 ASN 72 1HB ASN 72 -17.188 -2.132 10.659 506 HB3 ASN 72 2HB ASN 72 -16.552 -0.791 11.612 507 HD21 ASN 72 2HD2 ASN 72 -19.436 -1.836 11.176 508 HD22 ASN 72 1HD2 ASN 72 -20.307 -0.447 10.733 509 H ALA 73 H ALA 73 -14.502 -1.899 7.914 510 HA ALA 73 HA ALA 73 -12.757 -3.217 9.713 511 HB1 ALA 73 3HB ALA 73 -12.776 -3.916 7.422 512 HB2 ALA 73 1HB ALA 73 -11.171 -3.254 7.718 513 HB3 ALA 73 2HB ALA 73 -12.375 -2.296 6.857 514 H THR 74 H THR 74 -10.783 -2.656 10.615 515 HA THR 74 HA THR 74 -10.092 0.258 10.588 516 HB THR 74 HB THR 74 -8.956 -0.197 12.707 517 HG1 THR 74 HG1 THR 74 -9.796 -2.868 12.245 518 HG21 THR 74 3HG2 THR 74 -10.903 -0.787 14.061 519 HG22 THR 74 1HG2 THR 74 -11.691 -1.505 12.654 520 HG23 THR 74 2HG2 THR 74 -11.410 0.235 12.716 521 H GLU 75 H GLU 75 -9.205 -2.582 9.129 522 HA GLU 75 HA GLU 75 -6.437 -1.574 8.652 523 HB2 GLU 75 1HB GLU 75 -7.210 -4.402 9.424 524 HB3 GLU 75 2HB GLU 75 -5.643 -3.965 8.738 525 HG2 GLU 75 1HG GLU 75 -5.204 -2.449 10.593 526 HG3 GLU 75 2HG GLU 75 -6.810 -2.750 11.258 527 H LEU 76 H LEU 76 -5.517 -2.392 6.650 528 HA LEU 76 HA LEU 76 -7.582 -3.372 4.705 529 HB2 LEU 76 1HB LEU 76 -6.909 -0.923 4.464 530 HB3 LEU 76 2HB LEU 76 -5.296 -1.501 4.063 531 HG LEU 76 HG LEU 76 -6.647 -3.042 2.335 532 HD11 LEU 76 1HD1 LEU 76 -8.647 -2.075 1.502 533 HD12 LEU 76 2HD1 LEU 76 -8.397 -0.578 2.401 534 HD13 LEU 76 3HD1 LEU 76 -8.837 -2.056 3.255 535 HD21 LEU 76 3HD2 LEU 76 -6.331 -1.269 0.621 536 HD22 LEU 76 1HD2 LEU 76 -4.932 -1.427 1.682 537 HD23 LEU 76 2HD2 LEU 76 -6.065 -0.094 1.911 538 H HIS 77 H HIS 77 -6.985 -5.106 3.539 539 HA HIS 77 HA HIS 77 -4.149 -6.057 3.744 540 HB2 HIS 77 1HB HIS 77 -6.747 -7.576 3.369 541 HB3 HIS 77 2HB HIS 77 -5.145 -8.312 3.282 542 HD1 HIS 77 HD1 HIS 77 -7.499 -6.624 5.708 543 HD2 HIS 77 HD2 HIS 77 -3.878 -8.689 5.774 544 HE1 HIS 77 HE1 HIS 77 -6.971 -7.066 8.145 545 H ALA 78 H ALA 78 -3.043 -5.871 1.879 546 HA ALA 78 HA ALA 78 -4.408 -6.418 -0.693 547 HB1 ALA 78 3HB ALA 78 -4.640 -4.003 -0.491 548 HB2 ALA 78 1HB ALA 78 -3.394 -4.348 -1.688 549 HB3 ALA 78 2HB ALA 78 -2.936 -3.840 -0.062 550 H ARG 79 H ARG 79 -2.819 -6.740 -2.447 551 HA ARG 79 HA ARG 79 -0.088 -7.440 -1.429 552 HB2 ARG 79 1HB ARG 79 -1.889 -9.000 -3.291 553 HB3 ARG 79 2HB ARG 79 -0.169 -9.342 -3.088 554 HG2 ARG 79 1HG ARG 79 -0.527 -9.702 -0.669 555 HG3 ARG 79 2HG ARG 79 -2.245 -9.363 -0.874 556 HD2 ARG 79 1HD ARG 79 -2.443 -11.279 -2.418 557 HD3 ARG 79 2HD ARG 79 -0.726 -11.619 -2.216 558 HE ARG 79 HE ARG 79 -2.145 -11.552 0.321 559 HH11 ARG 79 1HH2 ARG 79 -1.347 -13.429 -2.469 560 HH12 ARG 79 2HH2 ARG 79 -1.520 -14.948 -1.654 561 HH21 ARG 79 1HH1 ARG 79 -2.373 -13.524 1.387 562 HH22 ARG 79 2HH1 ARG 79 -2.101 -15.002 0.525 563 H PHE 80 H PHE 80 1.604 -6.931 -2.749 564 HA PHE 80 HA PHE 80 0.987 -5.658 -5.392 565 HB2 PHE 80 1HB PHE 80 2.830 -4.715 -3.180 566 HB3 PHE 80 2HB PHE 80 2.956 -4.128 -4.840 567 HD1 PHE 80 HD1 PHE 80 0.521 -4.548 -2.033 568 HD2 PHE 80 HD2 PHE 80 1.562 -2.381 -5.589 569 HE1 PHE 80 HE1 PHE 80 -1.330 -2.955 -1.603 570 HE2 PHE 80 HE2 PHE 80 -0.288 -0.788 -5.162 571 HZ PHE 80 HZ PHE 80 -1.734 -1.074 -3.168 572 H LYS 81 H LYS 81 2.570 -6.013 -6.998 573 HA LYS 81 HA LYS 81 4.457 -8.252 -6.394 574 HB2 LYS 81 1HB LYS 81 2.783 -8.631 -8.183 575 HB3 LYS 81 2HB LYS 81 3.424 -7.240 -9.056 576 HG2 LYS 81 1HG LYS 81 5.613 -8.317 -9.236 577 HG3 LYS 81 2HG LYS 81 5.041 -9.686 -8.283 578 HD2 LYS 81 1HD LYS 81 3.348 -10.179 -10.016 579 HD3 LYS 81 2HD LYS 81 3.941 -8.821 -10.974 580 HE2 LYS 81 1HE LYS 81 6.155 -9.876 -11.131 581 HE3 LYS 81 2HE LYS 81 5.596 -11.223 -10.140 582 HZ1 LYS 81 3HZ LYS 81 4.171 -10.487 -12.613 583 HZ2 LYS 81 1HZ LYS 81 4.195 -11.974 -11.799 584 HZ3 LYS 81 2HZ LYS 81 5.557 -11.466 -12.677 585 H PHE 82 H PHE 82 6.505 -7.628 -6.066 586 HA PHE 82 HA PHE 82 7.527 -5.186 -7.474 587 HB2 PHE 82 1HB PHE 82 8.305 -6.471 -4.844 588 HB3 PHE 82 2HB PHE 82 9.258 -5.208 -5.624 589 HD1 PHE 82 HD2 PHE 82 7.976 -3.040 -6.321 590 HD2 PHE 82 HD1 PHE 82 6.519 -5.867 -3.433 591 HE1 PHE 82 HE2 PHE 82 6.463 -1.310 -5.390 592 HE2 PHE 82 HE1 PHE 82 5.004 -4.136 -2.504 593 HZ PHE 82 HZ PHE 82 4.977 -1.857 -3.481 594 H GLU 83 H GLU 83 9.403 -5.346 -8.645 595 HA GLU 83 HA GLU 83 10.193 -7.916 -9.659 596 HB2 GLU 83 1HB GLU 83 10.422 -5.494 -10.674 597 HB3 GLU 83 2HB GLU 83 11.960 -5.471 -9.818 598 HG2 GLU 83 1HG GLU 83 11.107 -7.597 -11.807 599 HG3 GLU 83 2HG GLU 83 12.205 -6.265 -12.157 600 H VAL 84 H VAL 84 11.434 -5.793 -7.127 601 HA VAL 84 HA VAL 84 13.270 -7.993 -6.265 602 HB VAL 84 HB VAL 84 14.997 -6.330 -5.729 603 HG11 VAL 84 1HG1 VAL 84 14.124 -5.864 -8.585 604 HG12 VAL 84 2HG1 VAL 84 14.767 -7.416 -8.047 605 HG13 VAL 84 3HG1 VAL 84 15.767 -5.967 -7.949 606 HG21 VAL 84 3HG2 VAL 84 14.694 -3.996 -6.668 607 HG22 VAL 84 1HG2 VAL 84 13.667 -4.374 -5.286 608 HG23 VAL 84 2HG2 VAL 84 12.992 -4.391 -6.913 609 H SER 85 H SER 85 13.865 -7.813 -3.977 610 HA SER 85 HA SER 85 11.571 -7.126 -2.328 611 HB2 SER 85 1HB SER 85 14.345 -8.173 -1.762 612 HB3 SER 85 2HB SER 85 13.208 -7.803 -0.468 613 HG SER 85 HG SER 85 13.042 -9.732 -2.519 614 H ALA 86 H ALA 86 14.466 -5.515 -3.320 615 HA ALA 86 HA ALA 86 14.859 -3.720 -1.139 616 HB1 ALA 86 3HB ALA 86 15.314 -3.190 -4.087 617 HB2 ALA 86 1HB ALA 86 16.446 -4.052 -3.043 618 HB3 ALA 86 2HB ALA 86 16.085 -2.352 -2.742 619 H GLU 87 H GLU 87 12.773 -3.535 -3.992 620 HA GLU 87 HA GLU 87 11.858 -0.853 -3.520 621 HB2 GLU 87 1HB GLU 87 10.641 -3.168 -5.051 622 HB3 GLU 87 2HB GLU 87 9.998 -1.526 -5.079 623 HG2 GLU 87 1HG GLU 87 12.844 -2.243 -5.848 624 HG3 GLU 87 2HG GLU 87 11.529 -2.051 -7.007 625 H LYS 88 H LYS 88 10.837 -4.024 -2.376 626 HA LYS 88 HA LYS 88 8.288 -3.243 -1.322 627 HB2 LYS 88 1HB LYS 88 9.456 -5.613 -1.610 628 HB3 LYS 88 2HB LYS 88 9.998 -5.321 0.038 629 HG2 LYS 88 1HG LYS 88 7.121 -5.337 -0.922 630 HG3 LYS 88 2HG LYS 88 7.898 -6.566 0.074 631 HD2 LYS 88 1HD LYS 88 8.392 -4.632 1.725 632 HD3 LYS 88 2HD LYS 88 7.182 -3.731 0.807 633 HE2 LYS 88 1HE LYS 88 5.529 -5.517 1.220 634 HE3 LYS 88 2HE LYS 88 6.732 -6.403 2.160 635 HZ1 LYS 88 3HZ LYS 88 5.571 -3.749 2.777 636 HZ2 LYS 88 1HZ LYS 88 6.910 -4.394 3.591 637 HZ3 LYS 88 2HZ LYS 88 5.409 -5.183 3.673 638 H LEU 89 H LEU 89 11.498 -3.509 0.229 639 HA LEU 89 HA LEU 89 10.683 -2.532 2.787 640 HB2 LEU 89 1HB LEU 89 13.319 -2.655 1.325 641 HB3 LEU 89 2HB LEU 89 13.212 -1.936 2.929 642 HG LEU 89 HG LEU 89 12.065 -4.686 2.425 643 HD11 LEU 89 1HD1 LEU 89 14.356 -4.821 1.596 644 HD12 LEU 89 2HD1 LEU 89 14.260 -5.624 3.163 645 HD13 LEU 89 3HD1 LEU 89 14.960 -4.010 3.043 646 HD21 LEU 89 3HD2 LEU 89 12.732 -4.941 4.843 647 HD22 LEU 89 1HD2 LEU 89 11.535 -3.680 4.579 648 HD23 LEU 89 2HD2 LEU 89 13.222 -3.250 4.841 649 H ILE 90 H ILE 90 12.084 -0.887 -0.032 650 HA ILE 90 HA ILE 90 12.160 1.719 1.164 651 HB ILE 90 HB ILE 90 12.039 0.834 -1.732 652 HG12 ILE 90 1HG1 ILE 90 14.368 1.911 -0.119 653 HG13 ILE 90 2HG1 ILE 90 14.037 0.187 -0.292 654 HG21 ILE 90 1HG2 ILE 90 12.463 3.557 -0.479 655 HG22 ILE 90 2HG2 ILE 90 11.262 3.099 -1.688 656 HG23 ILE 90 3HG2 ILE 90 12.969 3.175 -2.125 657 HD11 ILE 90 3HD1 ILE 90 14.350 0.268 -2.663 658 HD12 ILE 90 1HD1 ILE 90 15.700 1.162 -1.964 659 HD13 ILE 90 2HD1 ILE 90 14.339 2.032 -2.671 660 H PHE 91 H PHE 91 9.770 0.080 -0.890 661 HA PHE 91 HA PHE 91 7.941 2.249 -1.138 662 HB2 PHE 91 1HB PHE 91 7.796 0.237 -2.530 663 HB3 PHE 91 2HB PHE 91 7.424 -0.739 -1.110 664 HD1 PHE 91 HD1 PHE 91 6.214 2.295 -2.955 665 HD2 PHE 91 HD2 PHE 91 5.181 -1.083 -0.509 666 HE1 PHE 91 HE1 PHE 91 3.810 2.838 -3.215 667 HE2 PHE 91 HE2 PHE 91 2.776 -0.537 -0.772 668 HZ PHE 91 HZ PHE 91 2.090 1.424 -2.127 669 H GLU 92 H GLU 92 8.132 -0.382 1.252 670 HA GLU 92 HA GLU 92 5.809 0.334 2.746 671 HB2 GLU 92 1HB GLU 92 7.045 -1.818 2.991 672 HB3 GLU 92 2HB GLU 92 8.372 -0.939 3.753 673 HG2 GLU 92 1HG GLU 92 6.889 -0.202 5.558 674 HG3 GLU 92 2HG GLU 92 5.520 -1.005 4.787 675 H LEU 93 H LEU 93 9.234 1.252 3.172 676 HA LEU 93 HA LEU 93 8.831 2.877 5.490 677 HB2 LEU 93 1HB LEU 93 10.933 2.939 3.316 678 HB3 LEU 93 2HB LEU 93 11.015 3.940 4.760 679 HG LEU 93 HG LEU 93 10.762 0.918 4.819 680 HD11 LEU 93 1HD1 LEU 93 13.217 1.033 5.485 681 HD12 LEU 93 2HD1 LEU 93 13.208 2.699 4.907 682 HD13 LEU 93 3HD1 LEU 93 12.872 1.375 3.790 683 HD21 LEU 93 3HD2 LEU 93 11.102 3.072 6.897 684 HD22 LEU 93 1HD2 LEU 93 11.841 1.501 7.184 685 HD23 LEU 93 2HD2 LEU 93 10.105 1.621 6.944 686 H LYS 94 H LYS 94 8.859 3.680 2.025 687 HA LYS 94 HA LYS 94 8.481 6.500 2.377 688 HB2 LYS 94 1HB LYS 94 7.839 4.629 0.091 689 HB3 LYS 94 2HB LYS 94 7.606 6.373 -0.000 690 HG2 LYS 94 1HG LYS 94 9.979 6.752 0.447 691 HG3 LYS 94 2HG LYS 94 10.236 5.025 0.672 692 HD2 LYS 94 1HD LYS 94 10.941 5.446 -1.557 693 HD3 LYS 94 2HD LYS 94 9.338 4.734 -1.718 694 HE2 LYS 94 1HE LYS 94 8.329 6.870 -2.130 695 HE3 LYS 94 2HE LYS 94 9.789 7.729 -1.643 696 HZ1 LYS 94 3HZ LYS 94 10.363 7.695 -3.768 697 HZ2 LYS 94 1HZ LYS 94 9.103 6.635 -4.175 698 HZ3 LYS 94 2HZ LYS 94 10.589 6.018 -3.631 699 H THR 95 H THR 95 6.206 3.804 1.982 700 HA THR 95 HA THR 95 3.829 5.403 1.866 701 HB THR 95 HB THR 95 2.723 3.246 2.632 702 HG1 THR 95 HG1 THR 95 4.400 2.391 3.821 703 HG21 THR 95 3HG2 THR 95 4.593 3.377 0.271 704 HG22 THR 95 1HG2 THR 95 2.837 3.538 0.295 705 HG23 THR 95 2HG2 THR 95 3.581 1.962 0.558 706 H ARG 96 H ARG 96 5.695 4.055 4.542 707 HA ARG 96 HA ARG 96 3.817 4.615 6.623 708 HB2 ARG 96 1HB ARG 96 6.830 4.378 6.573 709 HB3 ARG 96 2HB ARG 96 5.933 4.626 8.067 710 HG2 ARG 96 1HG ARG 96 5.149 2.382 6.205 711 HG3 ARG 96 2HG ARG 96 6.519 2.177 7.293 712 HD2 ARG 96 1HD ARG 96 5.050 2.786 9.212 713 HD3 ARG 96 2HD ARG 96 3.685 2.889 8.106 714 HE ARG 96 HE ARG 96 5.142 0.327 8.099 715 HH11 ARG 96 1HH2 ARG 96 2.507 2.248 9.247 716 HH12 ARG 96 2HH2 ARG 96 1.546 0.883 9.703 717 HH21 ARG 96 1HH1 ARG 96 3.902 -1.450 8.695 718 HH22 ARG 96 2HH1 ARG 96 2.335 -1.210 9.394 719 H ALA 97 H ALA 97 6.448 6.528 5.213 720 HA ALA 97 HA ALA 97 6.132 8.780 6.974 721 HB1 ALA 97 3HB ALA 97 7.330 9.994 5.065 722 HB2 ALA 97 1HB ALA 97 7.330 8.448 4.218 723 HB3 ALA 97 2HB ALA 97 8.181 8.612 5.754 724 H LEU 98 H LEU 98 4.740 7.887 3.842 725 HA LEU 98 HA LEU 98 3.413 10.364 3.329 726 HB2 LEU 98 1HB LEU 98 3.781 8.146 1.876 727 HB3 LEU 98 2HB LEU 98 2.187 7.745 2.493 728 HG LEU 98 HG LEU 98 1.911 8.881 0.385 729 HD11 LEU 98 1HD1 LEU 98 0.423 9.442 2.410 730 HD12 LEU 98 2HD1 LEU 98 0.367 10.548 1.040 731 HD13 LEU 98 3HD1 LEU 98 1.301 10.973 2.470 732 HD21 LEU 98 3HD2 LEU 98 4.250 10.196 0.917 733 HD22 LEU 98 1HD2 LEU 98 3.090 11.470 1.291 734 HD23 LEU 98 2HD2 LEU 98 3.100 10.722 -0.303 735 H ALA 99 H ALA 99 2.329 7.383 4.935 736 HA ALA 99 HA ALA 99 -0.311 8.325 5.544 737 HB1 ALA 99 3HB ALA 99 0.279 5.940 5.560 738 HB2 ALA 99 1HB ALA 99 -0.358 6.427 7.130 739 HB3 ALA 99 2HB ALA 99 1.379 6.215 6.912 740 H ARG 100 H ARG 100 2.769 8.454 7.276 741 HA ARG 100 HA ARG 100 1.563 9.631 9.668 742 HB2 ARG 100 1HB ARG 100 4.440 9.245 8.790 743 HB3 ARG 100 2HB ARG 100 3.975 9.932 10.348 744 HG2 ARG 100 1HG ARG 100 2.800 7.888 10.954 745 HG3 ARG 100 2HG ARG 100 3.095 7.204 9.355 746 HD2 ARG 100 1HD ARG 100 4.710 6.283 10.944 747 HD3 ARG 100 2HD ARG 100 5.546 7.317 9.789 748 HE ARG 100 HE ARG 100 4.785 8.841 12.105 749 HH11 ARG 100 1HH2 ARG 100 6.971 6.417 10.975 750 HH12 ARG 100 2HH2 ARG 100 8.226 6.848 12.088 751 HH21 ARG 100 1HH1 ARG 100 6.414 9.407 13.559 752 HH22 ARG 100 2HH1 ARG 100 7.912 8.538 13.548 753 H LEU 101 H LEU 101 2.297 10.787 6.626 754 HA LEU 101 HA LEU 101 2.741 12.923 5.751 755 HB2 LEU 101 1HB LEU 101 0.931 13.556 8.100 756 HB3 LEU 101 2HB LEU 101 1.301 14.689 6.801 757 HG LEU 101 HG LEU 101 0.116 11.938 6.333 758 HD11 LEU 101 1HD1 LEU 101 -2.038 13.128 5.994 759 HD12 LEU 101 2HD1 LEU 101 -1.280 14.623 6.545 760 HD13 LEU 101 3HD1 LEU 101 -1.455 13.262 7.654 761 HD21 LEU 101 3HD2 LEU 101 1.025 12.629 4.278 762 HD22 LEU 101 1HD2 LEU 101 0.709 14.335 4.592 763 HD23 LEU 101 2HD2 LEU 101 -0.612 13.253 4.163 764 H GLU 102 H GLU 102 5.006 12.674 6.437 765 HA GLU 102 HA GLU 102 6.025 13.737 8.875 766 HB2 GLU 102 1HB GLU 102 7.305 13.436 6.139 767 HB3 GLU 102 2HB GLU 102 8.194 13.856 7.605 768 HG2 GLU 102 1HG GLU 102 6.518 11.349 7.278 769 HG3 GLU 102 2HG GLU 102 8.270 11.408 7.087 770 H HIS 103 H HIS 103 6.881 15.771 9.366 771 HA HIS 103 HA HIS 103 5.748 18.000 7.791 772 HB2 HIS 103 1HB HIS 103 7.230 17.945 10.441 773 HB3 HIS 103 2HB HIS 103 6.461 19.367 9.731 774 HD1 HIS 103 HD1 HIS 103 3.784 19.097 9.283 775 HD2 HIS 103 HD2 HIS 103 5.486 16.353 11.920 776 HE1 HIS 103 HE1 HIS 103 1.866 18.041 10.555 777 H HIS 104 H HIS 104 7.028 18.364 6.009 778 HA HIS 104 HA HIS 104 9.989 18.494 6.335 779 HB2 HIS 104 1HB HIS 104 10.083 18.411 3.920 780 HB3 HIS 104 2HB HIS 104 8.949 17.172 4.448 781 HD1 HIS 104 HD1 HIS 104 6.342 17.824 4.264 782 HD2 HIS 104 HD2 HIS 104 8.975 20.350 2.245 783 HE1 HIS 104 HE1 HIS 104 4.939 19.179 2.647 784 H HIS 105 H HIS 105 7.255 20.483 6.279 785 HA HIS 105 HA HIS 105 6.947 22.793 6.098 786 HB2 HIS 105 1HB HIS 105 9.828 22.724 7.026 787 HB3 HIS 105 2HB HIS 105 8.790 24.150 7.050 788 HD1 HIS 105 HD1 HIS 105 6.525 23.882 8.520 789 HD2 HIS 105 HD2 HIS 105 9.523 21.078 9.239 790 HE1 HIS 105 HE1 HIS 105 5.967 22.791 10.736 791 H HIS 106 H HIS 106 8.172 24.892 5.258 792 HA HIS 106 HA HIS 106 8.676 26.026 3.275 793 HB2 HIS 106 1HB HIS 106 10.928 25.366 4.100 794 HB3 HIS 106 2HB HIS 106 10.820 23.886 3.143 795 HD1 HIS 106 HD1 HIS 106 11.409 24.051 0.697 796 HD2 HIS 106 HD2 HIS 106 10.899 27.801 2.445 797 HE1 HIS 106 HE1 HIS 106 12.113 25.753 -1.041 798 H HIS 107 H HIS 107 6.810 25.510 2.062 799 HA HIS 107 HA HIS 107 7.166 23.322 0.040 800 HB2 HIS 107 1HB HIS 107 5.306 22.947 1.685 801 HB3 HIS 107 2HB HIS 107 4.543 24.419 1.081 802 HD1 HIS 107 HD1 HIS 107 3.751 24.402 -1.439 803 HD2 HIS 107 HD2 HIS 107 5.070 20.713 -0.016 804 HE1 HIS 107 HE1 HIS 107 2.985 22.670 -3.121 805 H HIS 108 H HIS 108 7.350 24.022 -1.974 806 HA HIS 108 HA HIS 108 7.342 25.435 -3.829 807 HB2 HIS 108 1HB HIS 108 4.916 25.006 -3.665 808 HB3 HIS 108 2HB HIS 108 4.750 26.375 -2.565 809 HD1 HIS 108 HD1 HIS 108 6.108 25.715 -6.072 810 HD2 HIS 108 HD2 HIS 108 4.249 28.742 -3.891 811 HE1 HIS 108 HE1 HIS 108 5.719 27.627 -7.687 Start of MODEL 18 1 H1 MET 1 1H MET 1 4.365 -36.504 -16.207 2 H2 MET 1 2H MET 1 4.385 -36.382 -14.512 3 H3 MET 1 3H MET 1 5.670 -37.135 -15.329 4 HA MET 1 HA MET 1 5.714 -34.753 -16.507 5 HB2 MET 1 1HB MET 1 4.809 -34.359 -13.635 6 HB3 MET 1 2HB MET 1 5.471 -33.085 -14.656 7 HG2 MET 1 1HG MET 1 3.008 -34.723 -15.337 8 HG3 MET 1 2HG MET 1 2.964 -33.110 -14.628 9 HE1 MET 1 3HE MET 1 4.226 -31.275 -15.388 10 HE2 MET 1 1HE MET 1 2.955 -30.800 -16.522 11 HE3 MET 1 2HE MET 1 4.636 -30.853 -17.045 12 H SER 2 H SER 2 6.832 -37.167 -14.617 13 HA SER 2 HA SER 2 9.473 -35.809 -14.242 14 HB2 SER 2 1HB SER 2 8.077 -37.616 -12.245 15 HB3 SER 2 2HB SER 2 9.740 -37.053 -12.102 16 HG SER 2 HG SER 2 7.326 -35.647 -11.878 17 H ASN 3 H ASN 3 11.247 -37.119 -14.653 18 HA ASN 3 HA ASN 3 10.855 -39.368 -16.395 19 HB2 ASN 3 1HB ASN 3 13.283 -39.580 -16.345 20 HB3 ASN 3 2HB ASN 3 12.854 -37.873 -16.444 21 HD21 ASN 3 2HD2 ASN 3 15.381 -38.843 -15.356 22 HD22 ASN 3 1HD2 ASN 3 15.422 -38.416 -13.713 23 H GLN 4 H GLN 4 11.734 -39.116 -12.958 24 HA GLN 4 HA GLN 4 11.563 -42.099 -12.759 25 HB2 GLN 4 1HB GLN 4 13.646 -40.752 -11.963 26 HB3 GLN 4 2HB GLN 4 12.635 -40.287 -10.595 27 HG2 GLN 4 1HG GLN 4 12.216 -42.683 -10.109 28 HG3 GLN 4 2HG GLN 4 13.250 -43.132 -11.460 29 HE21 GLN 4 2HE2 GLN 4 14.889 -40.554 -10.558 30 HE22 GLN 4 1HE2 GLN 4 15.879 -41.182 -9.330 31 H THR 5 H THR 5 10.303 -43.019 -11.077 32 HA THR 5 HA THR 5 8.025 -41.310 -10.195 33 HB THR 5 HB THR 5 6.871 -43.437 -9.813 34 HG1 THR 5 HG1 THR 5 8.641 -44.642 -9.109 35 HG21 THR 5 3HG2 THR 5 8.385 -43.313 -12.436 36 HG22 THR 5 1HG2 THR 5 6.805 -42.608 -12.096 37 HG23 THR 5 2HG2 THR 5 6.997 -44.361 -12.146 38 H CYS 6 H CYS 6 10.960 -42.162 -9.031 39 HA CYS 6 HA CYS 6 10.492 -43.224 -6.447 40 HB2 CYS 6 1HB CYS 6 12.697 -42.257 -5.865 41 HB3 CYS 6 2HB CYS 6 12.738 -43.058 -7.435 42 HG CYS 6 HG CYS 6 12.097 -40.145 -7.834 43 H VAL 7 H VAL 7 8.504 -42.081 -5.824 44 HA VAL 7 HA VAL 7 8.832 -39.227 -5.053 45 HB VAL 7 HB VAL 7 6.764 -39.864 -6.228 46 HG11 VAL 7 1HG1 VAL 7 5.185 -41.429 -5.243 47 HG12 VAL 7 2HG1 VAL 7 6.228 -41.655 -3.840 48 HG13 VAL 7 3HG1 VAL 7 6.742 -42.236 -5.423 49 HG21 VAL 7 3HG2 VAL 7 5.228 -38.803 -4.748 50 HG22 VAL 7 1HG2 VAL 7 6.808 -38.132 -4.345 51 HG23 VAL 7 2HG2 VAL 7 6.091 -39.377 -3.322 52 H GLU 8 H GLU 8 9.057 -42.360 -3.767 53 HA GLU 8 HA GLU 8 9.053 -43.216 -1.569 54 HB2 GLU 8 1HB GLU 8 11.231 -41.849 -1.948 55 HB3 GLU 8 2HB GLU 8 10.496 -40.650 -0.892 56 HG2 GLU 8 1HG GLU 8 11.756 -42.027 0.580 57 HG3 GLU 8 2HG GLU 8 10.104 -42.607 0.758 58 H ASN 9 H ASN 9 9.444 -40.926 0.586 59 HA ASN 9 HA ASN 9 6.592 -40.876 1.334 60 HB2 ASN 9 1HB ASN 9 8.300 -41.475 3.004 61 HB3 ASN 9 2HB ASN 9 9.071 -39.905 2.786 62 HD21 ASN 9 2HD2 ASN 9 6.641 -41.582 4.540 63 HD22 ASN 9 1HD2 ASN 9 5.903 -40.229 5.254 64 H GLU 10 H GLU 10 5.447 -39.268 0.364 65 HA GLU 10 HA GLU 10 6.166 -36.502 0.893 66 HB2 GLU 10 1HB GLU 10 7.575 -36.945 -1.102 67 HB3 GLU 10 2HB GLU 10 6.136 -37.443 -1.996 68 HG2 GLU 10 1HG GLU 10 5.154 -35.221 -1.722 69 HG3 GLU 10 2HG GLU 10 6.523 -34.712 -0.733 70 H VAL 11 H VAL 11 4.242 -35.581 1.351 71 HA VAL 11 HA VAL 11 1.752 -36.856 0.444 72 HB VAL 11 HB VAL 11 0.653 -35.208 1.918 73 HG11 VAL 11 1HG1 VAL 11 3.099 -36.551 3.107 74 HG12 VAL 11 2HG1 VAL 11 1.507 -37.283 2.896 75 HG13 VAL 11 3HG1 VAL 11 1.723 -35.956 4.037 76 HG21 VAL 11 3HG2 VAL 11 2.278 -33.780 3.329 77 HG22 VAL 11 1HG2 VAL 11 1.978 -33.244 1.676 78 HG23 VAL 11 2HG2 VAL 11 3.467 -34.104 2.067 79 H CYS 12 H CYS 12 0.563 -36.170 -1.262 80 HA CYS 12 HA CYS 12 1.505 -33.820 -2.780 81 HB2 CYS 12 1HB CYS 12 -0.305 -36.150 -3.303 82 HB3 CYS 12 2HB CYS 12 -0.477 -34.710 -4.308 83 HG CYS 12 HG CYS 12 1.585 -35.357 -5.500 84 H GLU 13 H GLU 13 0.484 -31.883 -2.779 85 HA GLU 13 HA GLU 13 -2.367 -31.661 -2.205 86 HB2 GLU 13 1HB GLU 13 -1.342 -31.794 0.086 87 HB3 GLU 13 2HB GLU 13 -0.404 -30.351 -0.295 88 HG2 GLU 13 1HG GLU 13 -2.366 -29.628 0.903 89 HG3 GLU 13 2HG GLU 13 -2.594 -29.169 -0.782 90 H ALA 14 H ALA 14 -2.818 -30.383 -3.906 91 HA ALA 14 HA ALA 14 -2.043 -27.645 -4.016 92 HB1 ALA 14 3HB ALA 14 -0.726 -27.831 -6.219 93 HB2 ALA 14 1HB ALA 14 -0.510 -29.538 -5.824 94 HB3 ALA 14 2HB ALA 14 0.142 -28.294 -4.756 95 H CYS 15 H CYS 15 -3.844 -30.258 -4.828 96 HA CYS 15 HA CYS 15 -5.654 -30.631 -6.280 97 HB2 CYS 15 1HB CYS 15 -5.680 -27.619 -5.988 98 HB3 CYS 15 2HB CYS 15 -6.936 -28.505 -6.852 99 HG CYS 15 HG CYS 15 -7.833 -29.399 -4.697 100 H GLY 16 H GLY 16 -4.828 -27.524 -7.738 101 HA2 GLY 16 1HA GLY 16 -3.459 -28.774 -9.999 102 HA3 GLY 16 2HA GLY 16 -5.081 -28.194 -10.379 103 H CYS 17 H CYS 17 -4.392 -26.521 -11.745 104 HA CYS 17 HA CYS 17 -2.389 -24.589 -10.907 105 HB2 CYS 17 1HB CYS 17 -2.769 -23.545 -13.002 106 HB3 CYS 17 2HB CYS 17 -2.993 -25.267 -13.302 107 HG CYS 17 HG CYS 17 -5.094 -23.214 -13.766 108 H ALA 18 H ALA 18 -2.721 -22.458 -10.240 109 HA ALA 18 HA ALA 18 -4.956 -21.957 -8.545 110 HB1 ALA 18 3HB ALA 18 -3.171 -19.839 -9.747 111 HB2 ALA 18 1HB ALA 18 -2.639 -20.904 -8.446 112 HB3 ALA 18 2HB ALA 18 -3.995 -19.806 -8.188 113 H GLY 19 H GLY 19 -6.796 -20.685 -8.821 114 HA2 GLY 19 1HA GLY 19 -7.265 -19.307 -11.385 115 HA3 GLY 19 2HA GLY 19 -8.308 -20.695 -11.068 116 H GLU 20 H GLU 20 -10.253 -19.877 -10.498 117 HA GLU 20 HA GLU 20 -10.493 -17.405 -8.939 118 HB2 GLU 20 1HB GLU 20 -12.910 -17.765 -9.205 119 HB3 GLU 20 2HB GLU 20 -12.092 -17.979 -10.752 120 HG2 GLU 20 1HG GLU 20 -12.077 -20.438 -10.389 121 HG3 GLU 20 2HG GLU 20 -12.958 -20.208 -8.880 122 H ILE 21 H ILE 21 -9.889 -20.596 -8.166 123 HA ILE 21 HA ILE 21 -11.550 -20.965 -5.849 124 HB ILE 21 HB ILE 21 -8.784 -22.105 -6.333 125 HG12 ILE 21 1HG1 ILE 21 -10.136 -22.555 -8.294 126 HG13 ILE 21 2HG1 ILE 21 -10.031 -24.034 -7.344 127 HG21 ILE 21 1HG2 ILE 21 -9.488 -22.570 -4.098 128 HG22 ILE 21 2HG2 ILE 21 -9.818 -24.034 -5.023 129 HG23 ILE 21 3HG2 ILE 21 -11.135 -22.934 -4.616 130 HD11 ILE 21 3HD1 ILE 21 -12.265 -23.196 -6.255 131 HD12 ILE 21 1HD1 ILE 21 -12.316 -23.927 -7.856 132 HD13 ILE 21 2HD1 ILE 21 -12.372 -22.174 -7.685 133 H GLY 22 H GLY 22 -8.266 -19.635 -6.276 134 HA2 GLY 22 1HA GLY 22 -8.602 -18.184 -3.711 135 HA3 GLY 22 2HA GLY 22 -7.237 -19.294 -3.826 136 H PHE 23 H PHE 23 -5.739 -17.547 -3.630 137 HA PHE 23 HA PHE 23 -5.785 -15.330 -5.515 138 HB2 PHE 23 1HB PHE 23 -3.585 -16.281 -3.654 139 HB3 PHE 23 2HB PHE 23 -3.639 -14.718 -4.473 140 HD1 PHE 23 HD1 PHE 23 -5.462 -13.084 -3.932 141 HD2 PHE 23 HD2 PHE 23 -4.889 -16.698 -1.678 142 HE1 PHE 23 HE1 PHE 23 -6.862 -12.166 -2.102 143 HE2 PHE 23 HE2 PHE 23 -6.290 -15.777 0.151 144 HZ PHE 23 HZ PHE 23 -7.276 -13.512 -0.061 145 H ILE 24 H ILE 24 -4.589 -15.084 -7.377 146 HA ILE 24 HA ILE 24 -3.429 -17.528 -8.553 147 HB ILE 24 HB ILE 24 -3.289 -16.148 -10.610 148 HG12 ILE 24 1HG1 ILE 24 -4.500 -13.950 -8.893 149 HG13 ILE 24 2HG1 ILE 24 -2.820 -13.971 -9.426 150 HG21 ILE 24 1HG2 ILE 24 -5.952 -15.732 -9.248 151 HG22 ILE 24 2HG2 ILE 24 -5.414 -17.306 -9.833 152 HG23 ILE 24 3HG2 ILE 24 -5.645 -15.975 -10.967 153 HD11 ILE 24 3HD1 ILE 24 -4.197 -12.589 -10.932 154 HD12 ILE 24 1HD1 ILE 24 -5.239 -13.975 -11.254 155 HD13 ILE 24 2HD1 ILE 24 -3.556 -13.997 -11.779 156 H ILE 25 H ILE 25 -2.346 -14.768 -6.850 157 HA ILE 25 HA ILE 25 0.272 -14.611 -8.099 158 HB ILE 25 HB ILE 25 -0.771 -13.511 -5.474 159 HG12 ILE 25 1HG1 ILE 25 -0.191 -12.086 -8.085 160 HG13 ILE 25 2HG1 ILE 25 -1.792 -12.674 -7.636 161 HG21 ILE 25 1HG2 ILE 25 1.591 -13.610 -5.226 162 HG22 ILE 25 2HG2 ILE 25 1.259 -11.961 -5.751 163 HG23 ILE 25 3HG2 ILE 25 1.867 -13.147 -6.906 164 HD11 ILE 25 3HD1 ILE 25 -0.151 -10.742 -5.968 165 HD12 ILE 25 1HD1 ILE 25 -1.809 -11.257 -5.653 166 HD13 ILE 25 2HD1 ILE 25 -1.447 -10.263 -7.064 167 H ARG 26 H ARG 26 -0.511 -15.358 -4.690 168 HA ARG 26 HA ARG 26 0.689 -16.660 -3.147 169 HB2 ARG 26 1HB ARG 26 -0.727 -18.327 -4.305 170 HB3 ARG 26 2HB ARG 26 0.567 -18.609 -5.471 171 HG2 ARG 26 1HG ARG 26 2.060 -19.340 -3.643 172 HG3 ARG 26 2HG ARG 26 0.776 -19.040 -2.471 173 HD2 ARG 26 1HD ARG 26 -0.654 -20.696 -3.709 174 HD3 ARG 26 2HD ARG 26 0.738 -21.072 -4.722 175 HE ARG 26 HE ARG 26 1.324 -21.324 -1.881 176 HH11 ARG 26 1HH2 ARG 26 -0.028 -22.828 -4.680 177 HH12 ARG 26 2HH2 ARG 26 0.240 -24.439 -4.103 178 HH21 ARG 26 1HH1 ARG 26 1.675 -23.418 -1.120 179 HH22 ARG 26 2HH1 ARG 26 1.201 -24.772 -2.090 180 H GLU 27 H GLU 27 2.554 -15.239 -3.291 181 HA GLU 27 HA GLU 27 4.831 -14.808 -3.541 182 HB2 GLU 27 1HB GLU 27 4.844 -17.006 -2.281 183 HB3 GLU 27 2HB GLU 27 5.074 -17.814 -3.833 184 HG2 GLU 27 1HG GLU 27 7.144 -16.557 -4.213 185 HG3 GLU 27 2HG GLU 27 6.894 -15.661 -2.714 186 H GLY 28 H GLY 28 3.784 -14.087 -5.768 187 HA2 GLY 28 1HA GLY 28 4.906 -15.625 -8.050 188 HA3 GLY 28 2HA GLY 28 3.780 -14.275 -8.172 189 H ASP 29 H ASP 29 7.009 -15.174 -8.452 190 HA ASP 29 HA ASP 29 9.026 -13.972 -8.527 191 HB2 ASP 29 1HB ASP 29 7.771 -13.467 -10.664 192 HB3 ASP 29 2HB ASP 29 7.285 -11.937 -9.933 193 H ASP 30 H ASP 30 8.817 -13.626 -6.135 194 HA ASP 30 HA ASP 30 9.031 -12.276 -4.255 195 HB2 ASP 30 1HB ASP 30 10.864 -11.360 -5.684 196 HB3 ASP 30 2HB ASP 30 9.746 -10.128 -6.266 197 H VAL 31 H VAL 31 7.335 -11.651 -3.097 198 HA VAL 31 HA VAL 31 5.444 -9.621 -4.227 199 HB VAL 31 HB VAL 31 4.705 -11.894 -2.373 200 HG11 VAL 31 1HG1 VAL 31 3.131 -9.840 -3.952 201 HG12 VAL 31 2HG1 VAL 31 3.181 -10.038 -2.200 202 HG13 VAL 31 3HG1 VAL 31 2.397 -11.257 -3.202 203 HG21 VAL 31 3HG2 VAL 31 5.424 -12.774 -4.562 204 HG22 VAL 31 1HG2 VAL 31 4.343 -11.643 -5.376 205 HG23 VAL 31 2HG2 VAL 31 3.678 -12.931 -4.373 206 H ALA 32 H ALA 32 4.330 -8.338 -2.552 207 HA ALA 32 HA ALA 32 5.879 -8.165 0.009 208 HB1 ALA 32 3HB ALA 32 6.646 -6.327 -1.307 209 HB2 ALA 32 1HB ALA 32 5.465 -5.654 -0.184 210 HB3 ALA 32 2HB ALA 32 5.015 -5.955 -1.862 211 H GLU 33 H GLU 33 4.692 -7.545 1.827 212 HA GLU 33 HA GLU 33 1.731 -7.804 1.549 213 HB2 GLU 33 1HB GLU 33 2.884 -9.425 3.032 214 HB3 GLU 33 2HB GLU 33 3.506 -8.081 3.990 215 HG2 GLU 33 1HG GLU 33 1.223 -7.388 4.551 216 HG3 GLU 33 2HG GLU 33 0.566 -8.675 3.542 217 H VAL 34 H VAL 34 0.416 -6.114 2.128 218 HA VAL 34 HA VAL 34 1.696 -3.723 3.423 219 HB VAL 34 HB VAL 34 -0.316 -3.847 1.163 220 HG11 VAL 34 1HG1 VAL 34 -0.139 -1.280 1.366 221 HG12 VAL 34 2HG1 VAL 34 0.491 -1.573 2.988 222 HG13 VAL 34 3HG1 VAL 34 -1.135 -2.108 2.563 223 HG21 VAL 34 3HG2 VAL 34 1.380 -2.567 -0.037 224 HG22 VAL 34 1HG2 VAL 34 2.113 -4.037 0.604 225 HG23 VAL 34 2HG2 VAL 34 2.386 -2.491 1.409 226 H SER 35 H SER 35 0.675 -3.051 5.223 227 HA SER 35 HA SER 35 -2.173 -3.854 5.673 228 HB2 SER 35 1HB SER 35 0.130 -4.085 7.631 229 HB3 SER 35 2HB SER 35 -1.568 -4.252 8.071 230 HG SER 35 HG SER 35 -1.479 -5.841 6.172 231 H LEU 36 H LEU 36 -3.339 -2.066 6.019 232 HA LEU 36 HA LEU 36 -1.999 0.298 7.298 233 HB2 LEU 36 1HB LEU 36 -2.526 0.657 4.883 234 HB3 LEU 36 2HB LEU 36 -4.223 0.345 5.241 235 HG LEU 36 HG LEU 36 -4.197 2.241 6.868 236 HD11 LEU 36 1HD1 LEU 36 -1.327 2.357 5.982 237 HD12 LEU 36 2HD1 LEU 36 -2.011 2.579 7.593 238 HD13 LEU 36 3HD1 LEU 36 -2.151 3.861 6.395 239 HD21 LEU 36 3HD2 LEU 36 -3.269 2.999 4.082 240 HD22 LEU 36 1HD2 LEU 36 -4.217 4.003 5.180 241 HD23 LEU 36 2HD2 LEU 36 -4.917 2.532 4.504 242 H PHE 37 H PHE 37 -3.059 1.206 9.007 243 HA PHE 37 HA PHE 37 -5.578 -0.130 9.901 244 HB2 PHE 37 1HB PHE 37 -3.575 1.579 11.407 245 HB3 PHE 37 2HB PHE 37 -5.005 0.822 12.113 246 HD1 PHE 37 HD1 PHE 37 -5.231 -1.706 12.020 247 HD2 PHE 37 HD2 PHE 37 -1.572 0.340 11.082 248 HE1 PHE 37 HE1 PHE 37 -3.971 -3.818 12.328 249 HE2 PHE 37 HE2 PHE 37 -0.311 -1.773 11.391 250 HZ PHE 37 HZ PHE 37 -1.510 -3.852 12.014 251 H GLY 38 H GLY 38 -7.395 1.146 10.484 252 HA2 GLY 38 1HA GLY 38 -7.338 4.036 10.433 253 HA3 GLY 38 2HA GLY 38 -7.999 3.390 8.932 254 H SER 39 H SER 39 -9.911 4.690 9.927 255 HA SER 39 HA SER 39 -11.451 3.024 11.883 256 HB2 SER 39 1HB SER 39 -12.798 5.038 12.239 257 HB3 SER 39 2HB SER 39 -11.092 5.417 12.457 258 HG SER 39 HG SER 39 -12.785 6.555 10.809 259 H ASP 40 H ASP 40 -12.710 5.315 9.498 260 HA ASP 40 HA ASP 40 -14.699 3.335 8.660 261 HB2 ASP 40 1HB ASP 40 -15.267 5.739 9.008 262 HB3 ASP 40 2HB ASP 40 -14.244 6.148 7.633 263 H LYS 41 H LYS 41 -15.101 2.888 6.361 264 HA LYS 41 HA LYS 41 -12.762 1.971 4.983 265 HB2 LYS 41 1HB LYS 41 -15.055 1.010 4.731 266 HB3 LYS 41 2HB LYS 41 -15.527 2.468 3.858 267 HG2 LYS 41 1HG LYS 41 -13.847 2.034 2.142 268 HG3 LYS 41 2HG LYS 41 -13.266 0.626 3.032 269 HD2 LYS 41 1HD LYS 41 -15.488 -0.438 2.792 270 HD3 LYS 41 2HD LYS 41 -16.050 0.960 1.875 271 HE2 LYS 41 1HE LYS 41 -13.664 -0.722 1.068 272 HE3 LYS 41 2HE LYS 41 -15.293 -0.974 0.441 273 HZ1 LYS 41 3HZ LYS 41 -13.422 1.213 -0.061 274 HZ2 LYS 41 1HZ LYS 41 -15.071 1.604 0.000 275 HZ3 LYS 41 2HZ LYS 41 -14.514 0.454 -1.118 276 H ALA 42 H ALA 42 -14.757 4.870 4.635 277 HA ALA 42 HA ALA 42 -13.744 5.849 2.187 278 HB1 ALA 42 3HB ALA 42 -15.629 6.910 3.296 279 HB2 ALA 42 1HB ALA 42 -14.346 8.105 3.105 280 HB3 ALA 42 2HB ALA 42 -14.615 7.344 4.673 281 H HIS 43 H HIS 43 -12.433 6.194 5.475 282 HA HIS 43 HA HIS 43 -10.276 7.954 4.752 283 HB2 HIS 43 1HB HIS 43 -10.716 6.045 7.053 284 HB3 HIS 43 2HB HIS 43 -9.268 7.041 6.924 285 HD1 HIS 43 HD1 HIS 43 -13.045 7.390 7.127 286 HD2 HIS 43 HD2 HIS 43 -9.619 9.685 7.732 287 HE1 HIS 43 HE1 HIS 43 -13.821 9.583 8.128 288 H LEU 44 H LEU 44 -10.527 4.416 4.996 289 HA LEU 44 HA LEU 44 -7.769 3.846 4.458 290 HB2 LEU 44 1HB LEU 44 -10.291 2.247 3.974 291 HB3 LEU 44 2HB LEU 44 -8.673 1.595 3.737 292 HG LEU 44 HG LEU 44 -9.647 2.804 6.343 293 HD11 LEU 44 1HD1 LEU 44 -10.914 0.750 5.696 294 HD12 LEU 44 2HD1 LEU 44 -9.943 0.529 7.151 295 HD13 LEU 44 3HD1 LEU 44 -9.388 -0.129 5.612 296 HD21 LEU 44 3HD2 LEU 44 -7.627 1.237 7.102 297 HD22 LEU 44 1HD2 LEU 44 -7.320 2.862 6.499 298 HD23 LEU 44 2HD2 LEU 44 -7.100 1.472 5.437 299 H GLU 45 H GLU 45 -10.579 4.222 2.330 300 HA GLU 45 HA GLU 45 -9.294 3.503 -0.113 301 HB2 GLU 45 1HB GLU 45 -11.572 5.415 0.469 302 HB3 GLU 45 2HB GLU 45 -11.103 4.924 -1.157 303 HG2 GLU 45 1HG GLU 45 -11.898 2.992 1.042 304 HG3 GLU 45 2HG GLU 45 -12.995 3.574 -0.211 305 H GLY 46 H GLY 46 -9.601 6.630 1.553 306 HA2 GLY 46 1HA GLY 46 -8.343 8.214 -0.468 307 HA3 GLY 46 2HA GLY 46 -8.439 8.643 1.241 308 H LYS 47 H LYS 47 -6.975 6.736 2.488 309 HA LYS 47 HA LYS 47 -4.260 7.495 1.925 310 HB2 LYS 47 1HB LYS 47 -5.422 5.273 3.622 311 HB3 LYS 47 2HB LYS 47 -3.704 5.662 3.571 312 HG2 LYS 47 1HG LYS 47 -4.212 7.971 4.307 313 HG3 LYS 47 2HG LYS 47 -5.927 7.561 4.381 314 HD2 LYS 47 1HD LYS 47 -5.483 5.866 6.088 315 HD3 LYS 47 2HD LYS 47 -3.750 6.173 5.974 316 HE2 LYS 47 1HE LYS 47 -4.631 7.369 7.901 317 HE3 LYS 47 2HE LYS 47 -4.174 8.541 6.666 318 HZ1 LYS 47 3HZ LYS 47 -6.730 8.027 7.794 319 HZ2 LYS 47 1HZ LYS 47 -6.778 7.857 6.107 320 HZ3 LYS 47 2HZ LYS 47 -6.234 9.310 6.797 321 H LEU 48 H LEU 48 -6.211 4.689 1.090 322 HA LEU 48 HA LEU 48 -4.164 2.988 0.104 323 HB2 LEU 48 1HB LEU 48 -6.543 2.312 0.451 324 HB3 LEU 48 2HB LEU 48 -6.991 3.285 -0.948 325 HG LEU 48 HG LEU 48 -5.478 1.907 -2.367 326 HD11 LEU 48 1HD1 LEU 48 -3.813 0.990 -1.037 327 HD12 LEU 48 2HD1 LEU 48 -4.895 -0.391 -1.149 328 HD13 LEU 48 3HD1 LEU 48 -4.911 0.629 0.288 329 HD21 LEU 48 3HD2 LEU 48 -7.442 0.198 -0.808 330 HD22 LEU 48 1HD2 LEU 48 -6.936 -0.020 -2.484 331 HD23 LEU 48 2HD2 LEU 48 -7.922 1.370 -2.035 332 H ALA 49 H ALA 49 -5.947 5.616 -1.466 333 HA ALA 49 HA ALA 49 -5.126 5.250 -4.129 334 HB1 ALA 49 3HB ALA 49 -5.566 7.603 -4.436 335 HB2 ALA 49 1HB ALA 49 -5.293 7.928 -2.724 336 HB3 ALA 49 2HB ALA 49 -6.715 7.015 -3.232 337 H GLU 50 H GLU 50 -3.320 6.556 -1.395 338 HA GLU 50 HA GLU 50 -1.130 7.662 -2.887 339 HB2 GLU 50 1HB GLU 50 -1.226 6.500 -0.087 340 HB3 GLU 50 2HB GLU 50 0.110 7.452 -0.729 341 HG2 GLU 50 1HG GLU 50 -2.754 8.432 -0.513 342 HG3 GLU 50 2HG GLU 50 -1.473 8.812 0.640 343 H TYR 51 H TYR 51 -1.736 4.438 -1.537 344 HA TYR 51 HA TYR 51 0.818 3.299 -2.120 345 HB2 TYR 51 1HB TYR 51 -1.941 2.114 -1.824 346 HB3 TYR 51 2HB TYR 51 -0.521 1.114 -2.110 347 HD1 TYR 51 HD1 TYR 51 -1.774 3.830 0.142 348 HD2 TYR 51 HD2 TYR 51 0.777 0.405 -0.279 349 HE1 TYR 51 HE1 TYR 51 -1.229 3.945 2.557 350 HE2 TYR 51 HE2 TYR 51 1.325 0.518 2.137 351 HH TYR 51 HH TYR 51 1.146 2.896 3.948 352 H ILE 52 H ILE 52 -2.172 3.489 -4.043 353 HA ILE 52 HA ILE 52 -1.245 1.899 -6.238 354 HB ILE 52 HB ILE 52 -3.187 4.224 -6.356 355 HG12 ILE 52 1HG1 ILE 52 -3.862 2.758 -4.540 356 HG13 ILE 52 2HG1 ILE 52 -4.927 2.475 -5.914 357 HG21 ILE 52 1HG2 ILE 52 -2.797 1.728 -8.030 358 HG22 ILE 52 2HG2 ILE 52 -2.609 3.404 -8.552 359 HG23 ILE 52 3HG2 ILE 52 -4.208 2.780 -8.153 360 HD11 ILE 52 3HD1 ILE 52 -3.209 0.581 -6.518 361 HD12 ILE 52 1HD1 ILE 52 -4.390 0.297 -5.245 362 HD13 ILE 52 2HD1 ILE 52 -2.733 0.727 -4.831 363 H SER 53 H SER 53 -1.162 5.420 -5.664 364 HA SER 53 HA SER 53 0.079 6.096 -8.160 365 HB2 SER 53 1HB SER 53 0.628 8.231 -7.021 366 HB3 SER 53 2HB SER 53 -1.049 7.762 -6.761 367 HG SER 53 HG SER 53 1.082 7.136 -4.991 368 H LEU 54 H LEU 54 1.441 5.466 -4.927 369 HA LEU 54 HA LEU 54 4.173 5.953 -5.657 370 HB2 LEU 54 1HB LEU 54 2.935 4.258 -3.477 371 HB3 LEU 54 2HB LEU 54 4.666 4.552 -3.603 372 HG LEU 54 HG LEU 54 2.600 6.767 -3.429 373 HD11 LEU 54 1HD1 LEU 54 4.201 5.398 -1.250 374 HD12 LEU 54 2HD1 LEU 54 2.446 5.533 -1.370 375 HD13 LEU 54 3HD1 LEU 54 3.420 6.965 -1.040 376 HD21 LEU 54 3HD2 LEU 54 5.615 6.645 -3.406 377 HD22 LEU 54 1HD2 LEU 54 4.794 7.942 -2.538 378 HD23 LEU 54 2HD2 LEU 54 4.554 7.756 -4.271 379 H ALA 55 H ALA 55 2.219 2.996 -5.589 380 HA ALA 55 HA ALA 55 4.287 1.155 -6.229 381 HB1 ALA 55 3HB ALA 55 1.406 0.959 -7.118 382 HB2 ALA 55 1HB ALA 55 1.927 0.630 -5.465 383 HB3 ALA 55 2HB ALA 55 2.519 -0.367 -6.792 384 H LYS 56 H LYS 56 1.988 2.810 -8.415 385 HA LYS 56 HA LYS 56 3.081 1.706 -10.823 386 HB2 LYS 56 1HB LYS 56 1.510 4.236 -10.293 387 HB3 LYS 56 2HB LYS 56 1.910 3.661 -11.911 388 HG2 LYS 56 1HG LYS 56 0.736 1.541 -11.457 389 HG3 LYS 56 2HG LYS 56 0.351 2.101 -9.828 390 HD2 LYS 56 1HD LYS 56 -0.931 3.984 -10.766 391 HD3 LYS 56 2HD LYS 56 -0.537 3.444 -12.399 392 HE2 LYS 56 1HE LYS 56 -1.693 1.309 -11.980 393 HE3 LYS 56 2HE LYS 56 -2.080 1.834 -10.342 394 HZ1 LYS 56 3HZ LYS 56 -2.996 3.080 -12.875 395 HZ2 LYS 56 1HZ LYS 56 -3.261 3.745 -11.337 396 HZ3 LYS 56 2HZ LYS 56 -3.950 2.247 -11.744 397 H GLN 57 H GLN 57 3.709 4.772 -9.126 398 HA GLN 57 HA GLN 57 5.586 5.791 -11.046 399 HB2 GLN 57 1HB GLN 57 4.504 7.190 -9.306 400 HB3 GLN 57 2HB GLN 57 5.406 6.316 -8.067 401 HG2 GLN 57 1HG GLN 57 7.518 7.096 -8.965 402 HG3 GLN 57 2HG GLN 57 6.702 7.848 -10.337 403 HE21 GLN 57 2HE2 GLN 57 8.325 9.401 -8.569 404 HE22 GLN 57 1HE2 GLN 57 7.320 10.462 -7.706 405 H VAL 58 H VAL 58 6.020 4.014 -7.995 406 HA VAL 58 HA VAL 58 8.878 3.877 -8.130 407 HB VAL 58 HB VAL 58 6.818 2.147 -6.743 408 HG11 VAL 58 1HG1 VAL 58 9.839 2.046 -6.683 409 HG12 VAL 58 2HG1 VAL 58 8.705 0.722 -6.958 410 HG13 VAL 58 3HG1 VAL 58 8.857 1.434 -5.352 411 HG21 VAL 58 3HG2 VAL 58 7.211 4.617 -6.107 412 HG22 VAL 58 1HG2 VAL 58 8.790 4.088 -5.525 413 HG23 VAL 58 2HG2 VAL 58 7.319 3.427 -4.811 414 H TYR 59 H TYR 59 6.342 1.575 -9.171 415 HA TYR 59 HA TYR 59 8.396 0.275 -10.927 416 HB2 TYR 59 1HB TYR 59 7.917 -1.087 -8.870 417 HB3 TYR 59 2HB TYR 59 6.239 -1.207 -9.405 418 HD1 TYR 59 HD2 TYR 59 9.728 -2.154 -10.134 419 HD2 TYR 59 HD1 TYR 59 5.634 -2.519 -11.353 420 HE1 TYR 59 HE2 TYR 59 10.348 -4.014 -11.649 421 HE2 TYR 59 HE1 TYR 59 6.246 -4.386 -12.868 422 HH TYR 59 HH TYR 59 8.458 -6.183 -12.762 423 H ALA 60 H ALA 60 7.790 0.315 -12.976 424 HA ALA 60 HA ALA 60 5.247 1.289 -13.858 425 HB1 ALA 60 3HB ALA 60 6.065 0.892 -16.072 426 HB2 ALA 60 1HB ALA 60 7.217 -0.313 -15.494 427 HB3 ALA 60 2HB ALA 60 7.452 1.391 -15.105 428 H ASN 61 H ASN 61 3.529 0.205 -14.859 429 HA ASN 61 HA ASN 61 1.920 -1.497 -14.889 430 HB2 ASN 61 1HB ASN 61 2.627 -3.475 -16.157 431 HB3 ASN 61 2HB ASN 61 3.300 -2.016 -16.877 432 HD21 ASN 61 2HD2 ASN 61 4.100 -5.060 -15.405 433 HD22 ASN 61 1HD2 ASN 61 5.786 -4.869 -15.447 434 H VAL 62 H VAL 62 2.597 -1.170 -12.353 435 HA VAL 62 HA VAL 62 3.624 -3.612 -11.137 436 HB VAL 62 HB VAL 62 3.952 -1.379 -10.100 437 HG11 VAL 62 1HG1 VAL 62 2.122 -0.182 -9.110 438 HG12 VAL 62 2HG1 VAL 62 0.999 -1.501 -9.438 439 HG13 VAL 62 3HG1 VAL 62 1.648 -0.542 -10.769 440 HG21 VAL 62 3HG2 VAL 62 3.821 -3.599 -8.800 441 HG22 VAL 62 1HG2 VAL 62 2.209 -3.077 -8.305 442 HG23 VAL 62 2HG2 VAL 62 3.623 -2.118 -7.867 443 H GLU 63 H GLU 63 2.464 -5.247 -10.196 444 HA GLU 63 HA GLU 63 -0.497 -5.220 -10.660 445 HB2 GLU 63 1HB GLU 63 1.499 -7.488 -10.484 446 HB3 GLU 63 2HB GLU 63 -0.248 -7.724 -10.559 447 HG2 GLU 63 1HG GLU 63 -0.338 -6.532 -12.702 448 HG3 GLU 63 2HG GLU 63 1.398 -6.229 -12.621 449 H TYR 64 H TYR 64 -1.814 -5.383 -8.924 450 HA TYR 64 HA TYR 64 -0.784 -6.478 -6.373 451 HB2 TYR 64 1HB TYR 64 -1.525 -4.501 -5.103 452 HB3 TYR 64 2HB TYR 64 -0.265 -4.071 -6.256 453 HD1 TYR 64 HD2 TYR 64 -0.808 -2.830 -8.321 454 HD2 TYR 64 HD1 TYR 64 -3.809 -3.723 -5.380 455 HE1 TYR 64 HE2 TYR 64 -2.313 -1.146 -9.347 456 HE2 TYR 64 HE1 TYR 64 -5.313 -2.036 -6.404 457 HH TYR 64 HH TYR 64 -4.371 0.326 -8.348 458 H GLU 65 H GLU 65 -2.593 -6.720 -4.787 459 HA GLU 65 HA GLU 65 -5.299 -6.790 -6.038 460 HB2 GLU 65 1HB GLU 65 -3.862 -9.110 -4.725 461 HB3 GLU 65 2HB GLU 65 -5.606 -9.082 -4.996 462 HG2 GLU 65 1HG GLU 65 -5.266 -8.822 -7.398 463 HG3 GLU 65 2HG GLU 65 -3.520 -8.727 -7.168 464 H VAL 66 H VAL 66 -7.005 -6.717 -4.492 465 HA VAL 66 HA VAL 66 -6.152 -6.008 -1.706 466 HB VAL 66 HB VAL 66 -6.815 -3.974 -2.811 467 HG11 VAL 66 1HG1 VAL 66 -8.109 -5.196 -4.638 468 HG12 VAL 66 2HG1 VAL 66 -8.857 -3.721 -4.035 469 HG13 VAL 66 3HG1 VAL 66 -9.451 -5.291 -3.500 470 HG21 VAL 66 3HG2 VAL 66 -7.720 -4.562 -0.467 471 HG22 VAL 66 1HG2 VAL 66 -9.262 -4.858 -1.270 472 HG23 VAL 66 2HG2 VAL 66 -8.529 -3.255 -1.330 473 H ALA 67 H ALA 67 -7.124 -7.140 -0.144 474 HA ALA 67 HA ALA 67 -9.010 -9.217 -0.862 475 HB1 ALA 67 3HB ALA 67 -8.729 -8.745 2.027 476 HB2 ALA 67 1HB ALA 67 -7.170 -8.828 1.208 477 HB3 ALA 67 2HB ALA 67 -8.305 -10.172 1.086 478 HA PRO 68 HA PRO 68 -12.972 -7.507 0.074 479 HB2 PRO 68 1HB PRO 68 -13.221 -9.193 2.543 480 HB3 PRO 68 2HB PRO 68 -14.317 -9.065 1.152 481 HG2 PRO 68 1HG PRO 68 -12.754 -11.186 1.459 482 HG3 PRO 68 2HG PRO 68 -13.040 -10.490 -0.148 483 HD2 PRO 68 1HD PRO 68 -10.606 -10.264 1.594 484 HD3 PRO 68 2HD PRO 68 -10.730 -10.405 -0.172 485 H VAL 69 H VAL 69 -13.727 -5.687 1.120 486 HA VAL 69 HA VAL 69 -12.551 -4.975 3.787 487 HB VAL 69 HB VAL 69 -13.058 -3.099 1.464 488 HG11 VAL 69 1HG1 VAL 69 -11.967 -2.691 4.262 489 HG12 VAL 69 2HG1 VAL 69 -13.432 -1.984 3.578 490 HG13 VAL 69 3HG1 VAL 69 -11.849 -1.488 2.979 491 HG21 VAL 69 3HG2 VAL 69 -11.092 -4.590 1.157 492 HG22 VAL 69 1HG2 VAL 69 -10.463 -4.054 2.713 493 HG23 VAL 69 2HG2 VAL 69 -10.616 -2.910 1.378 494 H ALA 70 H ALA 70 -14.057 -4.384 5.266 495 HA ALA 70 HA ALA 70 -16.888 -4.351 4.449 496 HB1 ALA 70 3HB ALA 70 -15.707 -3.963 7.211 497 HB2 ALA 70 1HB ALA 70 -16.048 -5.544 6.509 498 HB3 ALA 70 2HB ALA 70 -17.366 -4.413 6.814 499 H ASP 71 H ASP 71 -18.313 -2.599 5.278 500 HA ASP 71 HA ASP 71 -17.431 -0.009 4.443 501 HB2 ASP 71 1HB ASP 71 -19.813 -1.038 5.983 502 HB3 ASP 71 2HB ASP 71 -19.592 0.692 5.728 503 H ASN 72 H ASN 72 -17.791 -1.469 7.662 504 HA ASN 72 HA ASN 72 -16.652 0.981 8.920 505 HB2 ASN 72 1HB ASN 72 -17.998 -1.491 10.037 506 HB3 ASN 72 2HB ASN 72 -17.264 -0.248 11.052 507 HD21 ASN 72 2HD2 ASN 72 -20.111 -0.810 11.089 508 HD22 ASN 72 1HD2 ASN 72 -20.915 0.561 10.493 509 H ALA 73 H ALA 73 -15.208 -1.253 7.312 510 HA ALA 73 HA ALA 73 -13.603 -2.827 8.999 511 HB1 ALA 73 3HB ALA 73 -13.474 -3.189 6.636 512 HB2 ALA 73 1HB ALA 73 -11.876 -2.634 7.129 513 HB3 ALA 73 2HB ALA 73 -12.992 -1.520 6.339 514 H THR 74 H THR 74 -11.776 -2.447 10.216 515 HA THR 74 HA THR 74 -10.916 0.406 10.515 516 HB THR 74 HB THR 74 -10.124 -0.271 12.744 517 HG1 THR 74 HG1 THR 74 -10.224 -2.670 11.676 518 HG21 THR 74 3HG2 THR 74 -12.962 -0.959 11.983 519 HG22 THR 74 1HG2 THR 74 -12.360 0.489 12.791 520 HG23 THR 74 2HG2 THR 74 -12.414 -1.046 13.656 521 H GLU 75 H GLU 75 -10.018 -2.396 8.994 522 HA GLU 75 HA GLU 75 -7.172 -1.524 8.922 523 HB2 GLU 75 1HB GLU 75 -6.377 -3.840 9.134 524 HB3 GLU 75 2HB GLU 75 -7.269 -3.368 10.579 525 HG2 GLU 75 1HG GLU 75 -9.299 -4.473 9.639 526 HG3 GLU 75 2HG GLU 75 -8.335 -5.019 8.267 527 H LEU 76 H LEU 76 -6.041 -2.396 7.020 528 HA LEU 76 HA LEU 76 -7.899 -3.309 4.852 529 HB2 LEU 76 1HB LEU 76 -7.275 -0.839 4.725 530 HB3 LEU 76 2HB LEU 76 -5.615 -1.369 4.466 531 HG LEU 76 HG LEU 76 -6.739 -2.899 2.587 532 HD11 LEU 76 1HD1 LEU 76 -9.048 -2.256 3.129 533 HD12 LEU 76 2HD1 LEU 76 -8.621 -1.723 1.505 534 HD13 LEU 76 3HD1 LEU 76 -8.657 -0.564 2.831 535 HD21 LEU 76 3HD2 LEU 76 -6.299 -1.129 0.945 536 HD22 LEU 76 1HD2 LEU 76 -5.048 -1.139 2.187 537 HD23 LEU 76 2HD2 LEU 76 -6.318 0.085 2.226 538 H HIS 77 H HIS 77 -7.158 -5.068 3.813 539 HA HIS 77 HA HIS 77 -4.293 -5.868 4.209 540 HB2 HIS 77 1HB HIS 77 -6.072 -7.346 5.230 541 HB3 HIS 77 2HB HIS 77 -6.651 -7.668 3.595 542 HD1 HIS 77 HD1 HIS 77 -5.094 -9.051 2.022 543 HD2 HIS 77 HD2 HIS 77 -3.604 -8.581 5.886 544 HE1 HIS 77 HE1 HIS 77 -3.172 -10.682 2.251 545 H ALA 78 H ALA 78 -3.175 -5.465 2.375 546 HA ALA 78 HA ALA 78 -4.408 -6.239 -0.236 547 HB1 ALA 78 3HB ALA 78 -4.616 -3.811 -0.091 548 HB2 ALA 78 1HB ALA 78 -3.351 -4.216 -1.252 549 HB3 ALA 78 2HB ALA 78 -2.919 -3.669 0.369 550 H ARG 79 H ARG 79 -2.793 -6.668 -1.896 551 HA ARG 79 HA ARG 79 -0.083 -7.308 -0.786 552 HB2 ARG 79 1HB ARG 79 -1.682 -9.307 -1.125 553 HB3 ARG 79 2HB ARG 79 -1.511 -8.992 -2.849 554 HG2 ARG 79 1HG ARG 79 0.218 -10.518 -2.540 555 HG3 ARG 79 2HG ARG 79 1.087 -9.009 -2.280 556 HD2 ARG 79 1HD ARG 79 1.675 -10.497 -0.471 557 HD3 ARG 79 2HD ARG 79 0.601 -9.274 0.194 558 HE ARG 79 HE ARG 79 -0.791 -11.671 -0.712 559 HH11 ARG 79 1HH2 ARG 79 0.871 -10.044 1.840 560 HH12 ARG 79 2HH2 ARG 79 0.141 -10.991 3.092 561 HH21 ARG 79 1HH1 ARG 79 -1.745 -12.910 0.911 562 HH22 ARG 79 2HH1 ARG 79 -1.337 -12.613 2.568 563 H PHE 80 H PHE 80 1.620 -6.840 -2.131 564 HA PHE 80 HA PHE 80 0.975 -5.713 -4.837 565 HB2 PHE 80 1HB PHE 80 2.813 -4.675 -2.672 566 HB3 PHE 80 2HB PHE 80 3.002 -4.195 -4.360 567 HD1 PHE 80 HD2 PHE 80 0.619 -4.233 -1.496 568 HD2 PHE 80 HD1 PHE 80 1.531 -2.625 -5.372 569 HE1 PHE 80 HE2 PHE 80 -1.211 -2.578 -1.241 570 HE2 PHE 80 HE1 PHE 80 -0.299 -0.974 -5.121 571 HZ PHE 80 HZ PHE 80 -1.671 -0.949 -3.057 572 H LYS 81 H LYS 81 2.458 -6.172 -6.456 573 HA LYS 81 HA LYS 81 4.446 -8.311 -5.809 574 HB2 LYS 81 1HB LYS 81 2.619 -8.927 -7.361 575 HB3 LYS 81 2HB LYS 81 3.133 -7.635 -8.446 576 HG2 LYS 81 1HG LYS 81 5.315 -8.674 -8.726 577 HG3 LYS 81 2HG LYS 81 4.910 -9.922 -7.548 578 HD2 LYS 81 1HD LYS 81 3.405 -9.444 -10.137 579 HD3 LYS 81 2HD LYS 81 4.637 -10.684 -9.919 580 HE2 LYS 81 1HE LYS 81 2.777 -11.966 -9.420 581 HE3 LYS 81 2HE LYS 81 3.044 -11.295 -7.811 582 HZ1 LYS 81 3HZ LYS 81 1.586 -9.428 -9.274 583 HZ2 LYS 81 1HZ LYS 81 1.066 -10.343 -7.944 584 HZ3 LYS 81 2HZ LYS 81 0.845 -10.937 -9.522 585 H PHE 82 H PHE 82 6.546 -7.814 -6.034 586 HA PHE 82 HA PHE 82 7.292 -5.451 -7.731 587 HB2 PHE 82 1HB PHE 82 8.330 -6.291 -5.013 588 HB3 PHE 82 2HB PHE 82 9.171 -5.137 -6.050 589 HD1 PHE 82 HD1 PHE 82 7.895 -3.073 -6.859 590 HD2 PHE 82 HD2 PHE 82 6.491 -5.595 -3.677 591 HE1 PHE 82 HE1 PHE 82 6.393 -1.259 -6.084 592 HE2 PHE 82 HE2 PHE 82 4.990 -3.779 -2.903 593 HZ PHE 82 HZ PHE 82 4.941 -1.611 -4.106 594 H GLU 83 H GLU 83 9.193 -5.663 -8.912 595 HA GLU 83 HA GLU 83 9.917 -8.322 -9.726 596 HB2 GLU 83 1HB GLU 83 10.095 -6.290 -11.172 597 HB3 GLU 83 2HB GLU 83 11.425 -5.727 -10.161 598 HG2 GLU 83 1HG GLU 83 12.719 -7.742 -10.710 599 HG3 GLU 83 2HG GLU 83 11.386 -8.338 -11.700 600 H VAL 84 H VAL 84 11.399 -5.962 -7.518 601 HA VAL 84 HA VAL 84 13.184 -8.152 -6.532 602 HB VAL 84 HB VAL 84 15.063 -6.588 -6.394 603 HG11 VAL 84 1HG1 VAL 84 13.955 -6.415 -9.198 604 HG12 VAL 84 2HG1 VAL 84 14.499 -7.945 -8.512 605 HG13 VAL 84 3HG1 VAL 84 15.634 -6.608 -8.694 606 HG21 VAL 84 3HG2 VAL 84 13.115 -4.655 -7.688 607 HG22 VAL 84 1HG2 VAL 84 14.852 -4.371 -7.560 608 HG23 VAL 84 2HG2 VAL 84 13.868 -4.496 -6.101 609 H SER 85 H SER 85 14.062 -7.703 -4.389 610 HA SER 85 HA SER 85 12.034 -6.757 -2.569 611 HB2 SER 85 1HB SER 85 13.756 -7.236 -0.841 612 HB3 SER 85 2HB SER 85 13.570 -8.571 -1.976 613 HG SER 85 HG SER 85 15.602 -8.312 -2.408 614 H ALA 86 H ALA 86 14.567 -5.171 -4.270 615 HA ALA 86 HA ALA 86 15.230 -3.105 -2.408 616 HB1 ALA 86 3HB ALA 86 16.306 -3.716 -4.707 617 HB2 ALA 86 1HB ALA 86 16.269 -2.022 -4.218 618 HB3 ALA 86 2HB ALA 86 15.091 -2.629 -5.382 619 H GLU 87 H GLU 87 12.659 -3.347 -4.842 620 HA GLU 87 HA GLU 87 11.637 -0.677 -4.391 621 HB2 GLU 87 1HB GLU 87 10.767 -3.128 -5.859 622 HB3 GLU 87 2HB GLU 87 9.491 -1.993 -5.425 623 HG2 GLU 87 1HG GLU 87 10.324 -1.437 -7.638 624 HG3 GLU 87 2HG GLU 87 10.812 -0.167 -6.517 625 H LYS 88 H LYS 88 11.110 -3.807 -2.910 626 HA LYS 88 HA LYS 88 8.689 -3.208 -1.516 627 HB2 LYS 88 1HB LYS 88 9.683 -5.487 -1.721 628 HB3 LYS 88 2HB LYS 88 10.975 -4.988 -0.628 629 HG2 LYS 88 1HG LYS 88 9.334 -4.536 1.143 630 HG3 LYS 88 2HG LYS 88 8.020 -4.994 0.059 631 HD2 LYS 88 1HD LYS 88 8.938 -7.269 -0.118 632 HD3 LYS 88 2HD LYS 88 10.281 -6.818 0.934 633 HE2 LYS 88 1HE LYS 88 8.550 -7.969 2.240 634 HE3 LYS 88 2HE LYS 88 8.661 -6.282 2.740 635 HZ1 LYS 88 3HZ LYS 88 6.536 -6.043 2.238 636 HZ2 LYS 88 1HZ LYS 88 6.443 -7.652 1.712 637 HZ3 LYS 88 2HZ LYS 88 6.866 -6.426 0.616 638 H LEU 89 H LEU 89 12.104 -2.882 -0.530 639 HA LEU 89 HA LEU 89 11.548 -1.799 2.060 640 HB2 LEU 89 1HB LEU 89 13.761 -2.722 1.337 641 HB3 LEU 89 2HB LEU 89 13.972 -1.307 0.307 642 HG LEU 89 HG LEU 89 13.788 0.156 2.315 643 HD11 LEU 89 1HD1 LEU 89 13.341 -2.508 3.633 644 HD12 LEU 89 2HD1 LEU 89 12.575 -0.951 3.955 645 HD13 LEU 89 3HD1 LEU 89 14.207 -1.262 4.535 646 HD21 LEU 89 3HD2 LEU 89 15.990 -0.759 1.431 647 HD22 LEU 89 1HD2 LEU 89 15.906 -1.980 2.701 648 HD23 LEU 89 2HD2 LEU 89 16.014 -0.272 3.126 649 H ILE 90 H ILE 90 12.321 -0.198 -1.039 650 HA ILE 90 HA ILE 90 12.122 2.483 -0.015 651 HB ILE 90 HB ILE 90 11.804 1.363 -2.813 652 HG12 ILE 90 1HG1 ILE 90 14.105 2.900 -1.579 653 HG13 ILE 90 2HG1 ILE 90 14.034 1.137 -1.619 654 HG21 ILE 90 1HG2 ILE 90 12.313 3.790 -3.456 655 HG22 ILE 90 2HG2 ILE 90 11.900 4.208 -1.794 656 HG23 ILE 90 3HG2 ILE 90 10.691 3.469 -2.845 657 HD11 ILE 90 3HD1 ILE 90 14.019 3.001 -4.013 658 HD12 ILE 90 1HD1 ILE 90 13.787 1.255 -4.110 659 HD13 ILE 90 2HD1 ILE 90 15.320 1.910 -3.536 660 H PHE 91 H PHE 91 9.810 0.386 -1.702 661 HA PHE 91 HA PHE 91 7.646 2.255 -1.788 662 HB2 PHE 91 1HB PHE 91 7.717 0.227 -3.171 663 HB3 PHE 91 2HB PHE 91 7.616 -0.774 -1.725 664 HD1 PHE 91 HD2 PHE 91 5.796 1.802 -3.711 665 HD2 PHE 91 HD1 PHE 91 5.527 -1.253 -0.704 666 HE1 PHE 91 HE2 PHE 91 3.321 1.951 -3.780 667 HE2 PHE 91 HE1 PHE 91 3.054 -1.104 -0.774 668 HZ PHE 91 HZ PHE 91 1.951 0.498 -2.312 669 H GLU 92 H GLU 92 8.457 -0.307 0.545 670 HA GLU 92 HA GLU 92 6.180 0.118 2.236 671 HB2 GLU 92 1HB GLU 92 7.678 -1.911 2.241 672 HB3 GLU 92 2HB GLU 92 8.897 -0.932 3.054 673 HG2 GLU 92 1HG GLU 92 7.692 -2.123 4.763 674 HG3 GLU 92 2HG GLU 92 7.175 -0.439 4.846 675 H LEU 93 H LEU 93 9.433 1.506 2.190 676 HA LEU 93 HA LEU 93 9.279 2.877 4.691 677 HB2 LEU 93 1HB LEU 93 11.374 2.580 3.443 678 HB3 LEU 93 2HB LEU 93 10.765 3.617 2.157 679 HG LEU 93 HG LEU 93 10.654 4.845 4.873 680 HD11 LEU 93 1HD1 LEU 93 13.324 4.309 3.539 681 HD12 LEU 93 2HD1 LEU 93 12.783 3.647 5.082 682 HD13 LEU 93 3HD1 LEU 93 13.064 5.380 4.916 683 HD21 LEU 93 3HD2 LEU 93 10.236 5.931 2.542 684 HD22 LEU 93 1HD2 LEU 93 11.991 5.946 2.392 685 HD23 LEU 93 2HD2 LEU 93 11.209 6.826 3.704 686 H LYS 94 H LYS 94 8.419 3.904 1.395 687 HA LYS 94 HA LYS 94 7.641 6.572 2.102 688 HB2 LYS 94 1HB LYS 94 6.835 4.766 -0.186 689 HB3 LYS 94 2HB LYS 94 6.339 6.454 -0.068 690 HG2 LYS 94 1HG LYS 94 8.717 7.139 -0.002 691 HG3 LYS 94 2HG LYS 94 9.202 5.449 -0.142 692 HD2 LYS 94 1HD LYS 94 8.018 5.293 -2.311 693 HD3 LYS 94 2HD LYS 94 7.570 6.994 -2.177 694 HE2 LYS 94 1HE LYS 94 10.434 6.010 -2.153 695 HE3 LYS 94 2HE LYS 94 9.608 6.585 -3.602 696 HZ1 LYS 94 3HZ LYS 94 10.725 8.079 -1.430 697 HZ2 LYS 94 1HZ LYS 94 9.117 8.517 -1.747 698 HZ3 LYS 94 2HZ LYS 94 10.277 8.597 -2.986 699 H THR 95 H THR 95 5.782 3.554 1.812 700 HA THR 95 HA THR 95 3.211 4.710 2.321 701 HB THR 95 HB THR 95 2.628 2.328 3.000 702 HG1 THR 95 HG1 THR 95 5.202 1.709 2.071 703 HG21 THR 95 3HG2 THR 95 3.070 1.429 0.691 704 HG22 THR 95 1HG2 THR 95 4.051 2.862 0.378 705 HG23 THR 95 2HG2 THR 95 2.325 3.028 0.704 706 H ARG 96 H ARG 96 5.585 3.202 4.510 707 HA ARG 96 HA ARG 96 3.995 3.441 6.882 708 HB2 ARG 96 1HB ARG 96 6.983 3.280 6.439 709 HB3 ARG 96 2HB ARG 96 6.254 3.286 8.045 710 HG2 ARG 96 1HG ARG 96 4.979 1.271 7.511 711 HG3 ARG 96 2HG ARG 96 5.590 1.290 5.857 712 HD2 ARG 96 1HD ARG 96 6.876 -0.317 7.173 713 HD3 ARG 96 2HD ARG 96 7.910 1.047 6.750 714 HE ARG 96 HE ARG 96 6.674 1.516 9.300 715 HH11 ARG 96 1HH2 ARG 96 9.070 -0.381 7.695 716 HH12 ARG 96 2HH2 ARG 96 10.057 -0.561 9.107 717 HH21 ARG 96 1HH1 ARG 96 7.950 1.287 11.144 718 HH22 ARG 96 2HH1 ARG 96 9.424 0.381 11.058 719 H ALA 97 H ALA 97 6.332 5.619 5.346 720 HA ALA 97 HA ALA 97 6.447 7.576 7.417 721 HB1 ALA 97 3HB ALA 97 8.045 7.664 5.625 722 HB2 ALA 97 1HB ALA 97 7.071 9.128 5.506 723 HB3 ALA 97 2HB ALA 97 6.766 7.776 4.417 724 H LEU 98 H LEU 98 4.370 7.422 4.514 725 HA LEU 98 HA LEU 98 2.864 9.790 5.128 726 HB2 LEU 98 1HB LEU 98 2.193 7.345 3.474 727 HB3 LEU 98 2HB LEU 98 1.190 8.791 3.523 728 HG LEU 98 HG LEU 98 4.120 8.787 2.736 729 HD11 LEU 98 1HD1 LEU 98 1.717 8.960 0.899 730 HD12 LEU 98 2HD1 LEU 98 2.621 7.473 1.182 731 HD13 LEU 98 3HD1 LEU 98 3.415 8.857 0.434 732 HD21 LEU 98 3HD2 LEU 98 3.214 11.015 1.626 733 HD22 LEU 98 1HD2 LEU 98 3.639 11.000 3.334 734 HD23 LEU 98 2HD2 LEU 98 1.950 10.878 2.845 735 H ALA 99 H ALA 99 2.298 6.352 5.800 736 HA ALA 99 HA ALA 99 -0.265 6.702 7.046 737 HB1 ALA 99 3HB ALA 99 0.818 4.535 6.195 738 HB2 ALA 99 1HB ALA 99 -0.045 4.435 7.729 739 HB3 ALA 99 2HB ALA 99 1.716 4.522 7.713 740 H ARG 100 H ARG 100 3.047 6.731 8.284 741 HA ARG 100 HA ARG 100 2.095 7.147 11.058 742 HB2 ARG 100 1HB ARG 100 4.859 6.901 9.835 743 HB3 ARG 100 2HB ARG 100 4.573 7.188 11.551 744 HG2 ARG 100 1HG ARG 100 3.282 5.095 11.700 745 HG3 ARG 100 2HG ARG 100 3.526 4.813 9.976 746 HD2 ARG 100 1HD ARG 100 5.967 4.724 10.332 747 HD3 ARG 100 2HD ARG 100 5.726 5.003 12.057 748 HE ARG 100 HE ARG 100 4.232 2.700 11.112 749 HH11 ARG 100 1HH2 ARG 100 7.318 3.883 12.108 750 HH12 ARG 100 2HH2 ARG 100 7.882 2.336 12.646 751 HH21 ARG 100 1HH1 ARG 100 4.956 0.682 11.810 752 HH22 ARG 100 2HH1 ARG 100 6.546 0.525 12.478 753 H LEU 101 H LEU 101 2.381 9.010 8.404 754 HA LEU 101 HA LEU 101 2.546 11.306 8.021 755 HB2 LEU 101 1HB LEU 101 2.083 11.434 11.016 756 HB3 LEU 101 2HB LEU 101 1.928 12.784 9.899 757 HG LEU 101 HG LEU 101 0.341 10.210 9.703 758 HD11 LEU 101 1HD1 LEU 101 -0.180 11.568 11.738 759 HD12 LEU 101 2HD1 LEU 101 -1.531 11.467 10.610 760 HD13 LEU 101 3HD1 LEU 101 -0.556 12.934 10.688 761 HD21 LEU 101 3HD2 LEU 101 -1.098 11.902 8.257 762 HD22 LEU 101 1HD2 LEU 101 0.301 11.112 7.541 763 HD23 LEU 101 2HD2 LEU 101 0.426 12.774 8.116 764 H GLU 102 H GLU 102 3.725 13.393 8.986 765 HA GLU 102 HA GLU 102 6.164 12.984 10.443 766 HB2 GLU 102 1HB GLU 102 7.724 13.390 8.497 767 HB3 GLU 102 2HB GLU 102 6.954 11.805 8.496 768 HG2 GLU 102 1HG GLU 102 5.244 12.651 6.917 769 HG3 GLU 102 2HG GLU 102 6.056 14.217 6.895 770 H HIS 103 H HIS 103 6.878 14.940 11.137 771 HA HIS 103 HA HIS 103 5.354 17.306 10.546 772 HB2 HIS 103 1HB HIS 103 6.505 16.830 12.716 773 HB3 HIS 103 2HB HIS 103 8.050 17.096 11.909 774 HD1 HIS 103 HD1 HIS 103 4.784 18.956 12.545 775 HD2 HIS 103 HD2 HIS 103 8.818 19.759 11.864 776 HE1 HIS 103 HE1 HIS 103 5.071 21.457 12.811 777 H HIS 104 H HIS 104 5.681 18.827 8.991 778 HA HIS 104 HA HIS 104 8.371 19.180 7.809 779 HB2 HIS 104 1HB HIS 104 7.230 17.425 6.433 780 HB3 HIS 104 2HB HIS 104 5.946 18.585 6.086 781 HD1 HIS 104 HD1 HIS 104 9.731 18.299 5.735 782 HD2 HIS 104 HD2 HIS 104 6.509 20.242 3.941 783 HE1 HIS 104 HE1 HIS 104 10.661 19.511 3.716 784 H HIS 105 H HIS 105 8.704 21.283 7.186 785 HA HIS 105 HA HIS 105 6.575 23.217 7.822 786 HB2 HIS 105 1HB HIS 105 9.473 23.546 6.995 787 HB3 HIS 105 2HB HIS 105 8.399 24.887 7.401 788 HD1 HIS 105 HD1 HIS 105 10.136 21.912 8.935 789 HD2 HIS 105 HD2 HIS 105 7.848 25.174 10.165 790 HE1 HIS 105 HE1 HIS 105 10.278 21.974 11.464 791 H HIS 106 H HIS 106 5.202 23.891 6.282 792 HA HIS 106 HA HIS 106 5.488 23.267 3.492 793 HB2 HIS 106 1HB HIS 106 3.309 23.654 4.633 794 HB3 HIS 106 2HB HIS 106 3.735 25.354 4.822 795 HD1 HIS 106 HD1 HIS 106 3.575 22.844 1.948 796 HD2 HIS 106 HD2 HIS 106 2.783 26.862 2.725 797 HE1 HIS 106 HE1 HIS 106 2.653 23.819 -0.198 798 H HIS 107 H HIS 107 6.069 26.198 5.396 799 HA HIS 107 HA HIS 107 7.020 28.255 4.789 800 HB2 HIS 107 1HB HIS 107 8.985 26.728 4.897 801 HB3 HIS 107 2HB HIS 107 8.806 26.412 3.171 802 HD1 HIS 107 HD1 HIS 107 9.327 29.367 5.524 803 HD2 HIS 107 HD2 HIS 107 10.071 28.287 1.567 804 HE1 HIS 107 HE1 HIS 107 10.680 31.253 4.509 805 H HIS 108 H HIS 108 5.254 29.080 3.583 806 HA HIS 108 HA HIS 108 4.605 28.548 0.899 807 HB2 HIS 108 1HB HIS 108 3.252 29.951 2.440 808 HB3 HIS 108 2HB HIS 108 4.472 31.219 2.328 809 HD1 HIS 108 HD1 HIS 108 4.751 32.405 -0.007 810 HD2 HIS 108 HD2 HIS 108 1.533 29.766 0.214 811 HE1 HIS 108 HE1 HIS 108 3.303 32.873 -2.031 Start of MODEL 19 1 H1 MET 1 1H MET 1 -25.481 -35.291 -19.480 2 H2 MET 1 2H MET 1 -26.375 -36.732 -19.590 3 H3 MET 1 3H MET 1 -24.680 -36.769 -19.707 4 HA MET 1 HA MET 1 -26.347 -36.271 -17.318 5 HB2 MET 1 1HB MET 1 -24.042 -38.136 -17.967 6 HB3 MET 1 2HB MET 1 -24.839 -38.032 -16.399 7 HG2 MET 1 1HG MET 1 -26.249 -38.713 -18.997 8 HG3 MET 1 2HG MET 1 -25.716 -39.904 -17.813 9 HE1 MET 1 3HE MET 1 -26.095 -39.758 -15.497 10 HE2 MET 1 1HE MET 1 -27.613 -40.641 -15.700 11 HE3 MET 1 2HE MET 1 -27.553 -39.206 -14.680 12 H SER 2 H SER 2 -22.923 -36.308 -18.362 13 HA SER 2 HA SER 2 -22.054 -34.704 -16.120 14 HB2 SER 2 1HB SER 2 -20.767 -35.536 -18.717 15 HB3 SER 2 2HB SER 2 -19.945 -34.468 -17.581 16 HG SER 2 HG SER 2 -19.371 -36.462 -16.937 17 H ASN 3 H ASN 3 -21.520 -32.515 -16.066 18 HA ASN 3 HA ASN 3 -22.914 -30.830 -18.061 19 HB2 ASN 3 1HB ASN 3 -23.273 -30.434 -15.649 20 HB3 ASN 3 2HB ASN 3 -21.553 -30.103 -15.452 21 HD21 ASN 3 2HD2 ASN 3 -24.596 -28.784 -16.594 22 HD22 ASN 3 1HD2 ASN 3 -24.000 -27.245 -16.989 23 H GLN 4 H GLN 4 -21.692 -30.451 -19.832 24 HA GLN 4 HA GLN 4 -18.772 -30.156 -19.670 25 HB2 GLN 4 1HB GLN 4 -20.723 -29.874 -21.974 26 HB3 GLN 4 2HB GLN 4 -18.970 -29.804 -22.140 27 HG2 GLN 4 1HG GLN 4 -20.517 -32.168 -21.033 28 HG3 GLN 4 2HG GLN 4 -19.880 -32.057 -22.673 29 HE21 GLN 4 2HE2 GLN 4 -19.157 -33.531 -19.863 30 HE22 GLN 4 1HE2 GLN 4 -17.461 -33.490 -19.913 31 H THR 5 H THR 5 -20.949 -28.111 -21.565 32 HA THR 5 HA THR 5 -19.389 -25.745 -20.825 33 HB THR 5 HB THR 5 -20.809 -24.573 -22.436 34 HG1 THR 5 HG1 THR 5 -22.205 -27.028 -22.661 35 HG21 THR 5 3HG2 THR 5 -20.205 -27.305 -23.573 36 HG22 THR 5 1HG2 THR 5 -18.927 -26.165 -23.150 37 HG23 THR 5 2HG2 THR 5 -20.112 -25.742 -24.385 38 H CYS 6 H CYS 6 -20.481 -23.740 -20.085 39 HA CYS 6 HA CYS 6 -22.219 -24.329 -17.797 40 HB2 CYS 6 1HB CYS 6 -20.488 -22.742 -17.388 41 HB3 CYS 6 2HB CYS 6 -20.884 -21.826 -18.839 42 HG CYS 6 HG CYS 6 -22.701 -21.887 -16.292 43 H VAL 7 H VAL 7 -24.351 -24.483 -18.092 44 HA VAL 7 HA VAL 7 -25.767 -23.512 -20.400 45 HB VAL 7 HB VAL 7 -26.740 -24.414 -17.673 46 HG11 VAL 7 1HG1 VAL 7 -28.916 -24.775 -18.977 47 HG12 VAL 7 2HG1 VAL 7 -28.226 -23.728 -20.216 48 HG13 VAL 7 3HG1 VAL 7 -28.508 -23.104 -18.591 49 HG21 VAL 7 3HG2 VAL 7 -27.110 -26.537 -18.706 50 HG22 VAL 7 1HG2 VAL 7 -25.491 -26.044 -19.202 51 HG23 VAL 7 2HG2 VAL 7 -26.844 -25.877 -20.319 52 H GLU 8 H GLU 8 -25.466 -22.306 -17.066 53 HA GLU 8 HA GLU 8 -27.259 -20.093 -17.387 54 HB2 GLU 8 1HB GLU 8 -24.965 -20.556 -15.467 55 HB3 GLU 8 2HB GLU 8 -26.070 -19.185 -15.355 56 HG2 GLU 8 1HG GLU 8 -27.977 -20.682 -15.114 57 HG3 GLU 8 2HG GLU 8 -26.941 -22.089 -15.353 58 H ASN 9 H ASN 9 -26.904 -17.980 -17.978 59 HA ASN 9 HA ASN 9 -24.489 -17.452 -19.584 60 HB2 ASN 9 1HB ASN 9 -25.679 -15.464 -20.334 61 HB3 ASN 9 2HB ASN 9 -26.787 -16.834 -20.385 62 HD21 ASN 9 2HD2 ASN 9 -28.100 -14.485 -20.285 63 HD22 ASN 9 1HD2 ASN 9 -28.688 -14.138 -18.731 64 H GLU 10 H GLU 10 -25.312 -17.164 -16.381 65 HA GLU 10 HA GLU 10 -23.992 -14.571 -15.901 66 HB2 GLU 10 1HB GLU 10 -25.948 -15.303 -14.543 67 HB3 GLU 10 2HB GLU 10 -24.989 -16.648 -13.931 68 HG2 GLU 10 1HG GLU 10 -24.919 -14.843 -12.306 69 HG3 GLU 10 2HG GLU 10 -23.325 -14.987 -13.043 70 H VAL 11 H VAL 11 -21.836 -14.452 -15.800 71 HA VAL 11 HA VAL 11 -20.281 -16.484 -14.346 72 HB VAL 11 HB VAL 11 -20.414 -17.300 -16.739 73 HG11 VAL 11 1HG1 VAL 11 -19.345 -16.062 -18.487 74 HG12 VAL 11 2HG1 VAL 11 -18.672 -14.898 -17.347 75 HG13 VAL 11 3HG1 VAL 11 -20.407 -14.916 -17.668 76 HG21 VAL 11 3HG2 VAL 11 -18.015 -17.736 -16.903 77 HG22 VAL 11 1HG2 VAL 11 -18.507 -17.814 -15.211 78 HG23 VAL 11 2HG2 VAL 11 -17.669 -16.387 -15.820 79 H CYS 12 H CYS 12 -20.702 -13.376 -15.797 80 HA CYS 12 HA CYS 12 -18.022 -12.426 -14.982 81 HB2 CYS 12 1HB CYS 12 -20.327 -10.830 -16.125 82 HB3 CYS 12 2HB CYS 12 -18.630 -10.353 -16.061 83 HG CYS 12 HG CYS 12 -19.263 -11.397 -18.452 84 H GLU 13 H GLU 13 -17.825 -12.124 -12.829 85 HA GLU 13 HA GLU 13 -19.276 -10.055 -11.472 86 HB2 GLU 13 1HB GLU 13 -21.043 -11.838 -11.439 87 HB3 GLU 13 2HB GLU 13 -19.917 -12.883 -10.573 88 HG2 GLU 13 1HG GLU 13 -19.778 -11.266 -8.740 89 HG3 GLU 13 2HG GLU 13 -20.841 -10.161 -9.611 90 H ALA 14 H ALA 14 -17.441 -13.085 -11.108 91 HA ALA 14 HA ALA 14 -15.222 -11.799 -9.845 92 HB1 ALA 14 3HB ALA 14 -17.236 -13.106 -8.009 93 HB2 ALA 14 1HB ALA 14 -16.529 -11.495 -7.880 94 HB3 ALA 14 2HB ALA 14 -15.542 -12.921 -7.556 95 H CYS 15 H CYS 15 -13.495 -13.232 -9.553 96 HA CYS 15 HA CYS 15 -12.234 -15.105 -10.218 97 HB2 CYS 15 1HB CYS 15 -14.530 -16.298 -8.652 98 HB3 CYS 15 2HB CYS 15 -13.175 -17.269 -9.229 99 HG CYS 15 HG CYS 15 -12.251 -14.814 -7.669 100 H GLY 16 H GLY 16 -15.249 -16.904 -10.401 101 HA2 GLY 16 1HA GLY 16 -16.445 -17.687 -12.289 102 HA3 GLY 16 2HA GLY 16 -15.414 -16.694 -13.320 103 H CYS 17 H CYS 17 -13.738 -18.665 -11.074 104 HA CYS 17 HA CYS 17 -12.381 -20.137 -13.136 105 HB2 CYS 17 1HB CYS 17 -11.717 -21.594 -11.036 106 HB3 CYS 17 2HB CYS 17 -11.134 -19.935 -11.164 107 HG CYS 17 HG CYS 17 -13.800 -20.205 -9.655 108 H ALA 18 H ALA 18 -15.145 -20.872 -11.067 109 HA ALA 18 HA ALA 18 -16.630 -22.685 -11.050 110 HB1 ALA 18 3HB ALA 18 -17.169 -23.600 -13.343 111 HB2 ALA 18 1HB ALA 18 -15.871 -22.594 -13.985 112 HB3 ALA 18 2HB ALA 18 -17.272 -21.844 -13.221 113 H GLY 19 H GLY 19 -13.552 -23.136 -10.896 114 HA2 GLY 19 1HA GLY 19 -13.679 -25.949 -10.414 115 HA3 GLY 19 2HA GLY 19 -12.918 -25.679 -11.980 116 H GLU 20 H GLU 20 -11.926 -26.590 -9.229 117 HA GLU 20 HA GLU 20 -9.987 -26.407 -7.956 118 HB2 GLU 20 1HB GLU 20 -8.942 -26.587 -10.196 119 HB3 GLU 20 2HB GLU 20 -8.971 -24.829 -10.339 120 HG2 GLU 20 1HG GLU 20 -7.547 -24.621 -8.353 121 HG3 GLU 20 2HG GLU 20 -7.567 -26.371 -8.135 122 H ILE 21 H ILE 21 -10.501 -25.183 -6.196 123 HA ILE 21 HA ILE 21 -10.719 -22.258 -6.432 124 HB ILE 21 HB ILE 21 -12.310 -23.551 -5.022 125 HG12 ILE 21 1HG1 ILE 21 -12.109 -22.106 -3.005 126 HG13 ILE 21 2HG1 ILE 21 -10.498 -21.633 -3.528 127 HG21 ILE 21 1HG2 ILE 21 -10.006 -23.979 -3.111 128 HG22 ILE 21 2HG2 ILE 21 -10.494 -25.208 -4.278 129 HG23 ILE 21 3HG2 ILE 21 -11.627 -24.668 -3.039 130 HD11 ILE 21 3HD1 ILE 21 -12.715 -21.301 -5.511 131 HD12 ILE 21 1HD1 ILE 21 -11.287 -20.301 -5.236 132 HD13 ILE 21 2HD1 ILE 21 -12.671 -20.183 -4.150 133 H GLY 22 H GLY 22 -9.122 -20.861 -5.904 134 HA2 GLY 22 1HA GLY 22 -7.189 -21.213 -3.874 135 HA3 GLY 22 2HA GLY 22 -6.457 -21.763 -5.381 136 H PHE 23 H PHE 23 -5.051 -19.813 -4.679 137 HA PHE 23 HA PHE 23 -6.195 -17.246 -5.725 138 HB2 PHE 23 1HB PHE 23 -3.976 -17.854 -3.762 139 HB3 PHE 23 2HB PHE 23 -4.159 -16.265 -4.507 140 HD1 PHE 23 HD1 PHE 23 -6.162 -14.892 -4.083 141 HD2 PHE 23 HD2 PHE 23 -5.574 -18.665 -2.116 142 HE1 PHE 23 HE1 PHE 23 -7.942 -14.319 -2.455 143 HE2 PHE 23 HE2 PHE 23 -7.354 -18.092 -0.486 144 HZ PHE 23 HZ PHE 23 -8.538 -15.919 -0.657 145 H ILE 24 H ILE 24 -5.341 -16.424 -7.551 146 HA ILE 24 HA ILE 24 -3.519 -17.947 -9.165 147 HB ILE 24 HB ILE 24 -4.254 -15.021 -9.447 148 HG12 ILE 24 1HG1 ILE 24 -6.307 -16.304 -9.279 149 HG13 ILE 24 2HG1 ILE 24 -6.055 -15.891 -10.972 150 HG21 ILE 24 1HG2 ILE 24 -2.421 -15.672 -10.901 151 HG22 ILE 24 2HG2 ILE 24 -3.883 -15.511 -11.874 152 HG23 ILE 24 3HG2 ILE 24 -3.298 -17.111 -11.420 153 HD11 ILE 24 3HD1 ILE 24 -5.735 -18.556 -9.612 154 HD12 ILE 24 1HD1 ILE 24 -4.849 -18.218 -11.099 155 HD13 ILE 24 2HD1 ILE 24 -6.610 -18.166 -11.091 156 H ILE 25 H ILE 25 -3.088 -14.996 -7.212 157 HA ILE 25 HA ILE 25 -0.183 -15.003 -7.820 158 HB ILE 25 HB ILE 25 -1.864 -13.129 -6.129 159 HG12 ILE 25 1HG1 ILE 25 -0.633 -12.653 -8.852 160 HG13 ILE 25 2HG1 ILE 25 -2.298 -13.188 -8.632 161 HG21 ILE 25 1HG2 ILE 25 0.357 -12.934 -5.311 162 HG22 ILE 25 2HG2 ILE 25 0.237 -11.652 -6.511 163 HG23 ILE 25 3HG2 ILE 25 1.056 -13.160 -6.913 164 HD11 ILE 25 3HD1 ILE 25 -2.876 -11.191 -7.432 165 HD12 ILE 25 1HD1 ILE 25 -1.987 -10.671 -8.865 166 HD13 ILE 25 2HD1 ILE 25 -1.185 -10.709 -7.294 167 H ARG 26 H ARG 26 -1.401 -14.024 -4.709 168 HA ARG 26 HA ARG 26 -0.662 -14.596 -2.571 169 HB2 ARG 26 1HB ARG 26 -2.384 -16.321 -2.999 170 HB3 ARG 26 2HB ARG 26 -1.142 -17.390 -3.651 171 HG2 ARG 26 1HG ARG 26 0.039 -17.346 -1.488 172 HG3 ARG 26 2HG ARG 26 -1.179 -16.248 -0.840 173 HD2 ARG 26 1HD ARG 26 -2.919 -17.981 -1.309 174 HD3 ARG 26 2HD ARG 26 -1.636 -19.088 -1.793 175 HE ARG 26 HE ARG 26 -2.245 -18.236 0.958 176 HH11 ARG 26 1HH2 ARG 26 -0.026 -19.677 -1.266 177 HH12 ARG 26 2HH2 ARG 26 0.857 -20.514 -0.035 178 HH21 ARG 26 1HH1 ARG 26 -1.103 -19.321 2.560 179 HH22 ARG 26 2HH1 ARG 26 0.249 -20.313 2.128 180 H GLU 27 H GLU 27 1.504 -13.840 -3.006 181 HA GLU 27 HA GLU 27 3.501 -16.049 -2.890 182 HB2 GLU 27 1HB GLU 27 3.650 -13.620 -4.703 183 HB3 GLU 27 2HB GLU 27 4.995 -14.719 -4.404 184 HG2 GLU 27 1HG GLU 27 2.313 -15.544 -5.551 185 HG3 GLU 27 2HG GLU 27 3.773 -15.269 -6.501 186 H GLY 28 H GLY 28 5.762 -14.460 -2.778 187 HA2 GLY 28 1HA GLY 28 5.362 -12.386 -0.724 188 HA3 GLY 28 2HA GLY 28 6.197 -13.843 -0.183 189 H ASP 29 H ASP 29 7.614 -14.418 -2.577 190 HA ASP 29 HA ASP 29 9.931 -12.767 -2.252 191 HB2 ASP 29 1HB ASP 29 10.077 -15.063 -3.091 192 HB3 ASP 29 2HB ASP 29 9.157 -14.614 -4.525 193 H ASP 30 H ASP 30 7.554 -12.887 -4.931 194 HA ASP 30 HA ASP 30 8.636 -10.291 -5.933 195 HB2 ASP 30 1HB ASP 30 6.722 -12.305 -7.142 196 HB3 ASP 30 2HB ASP 30 7.134 -10.765 -7.898 197 H VAL 31 H VAL 31 6.414 -11.297 -3.744 198 HA VAL 31 HA VAL 31 4.610 -8.957 -4.266 199 HB VAL 31 HB VAL 31 3.925 -11.706 -3.209 200 HG11 VAL 31 1HG1 VAL 31 2.405 -9.095 -3.082 201 HG12 VAL 31 2HG1 VAL 31 2.725 -10.234 -1.775 202 HG13 VAL 31 3HG1 VAL 31 1.575 -10.652 -3.043 203 HG21 VAL 31 3HG2 VAL 31 3.964 -11.405 -5.668 204 HG22 VAL 31 1HG2 VAL 31 2.857 -10.041 -5.513 205 HG23 VAL 31 2HG2 VAL 31 2.321 -11.666 -5.083 206 H ALA 32 H ALA 32 4.385 -7.561 -2.604 207 HA ALA 32 HA ALA 32 5.728 -8.257 -0.016 208 HB1 ALA 32 3HB ALA 32 5.095 -5.507 -1.111 209 HB2 ALA 32 1HB ALA 32 6.640 -6.322 -1.353 210 HB3 ALA 32 2HB ALA 32 6.114 -5.895 0.276 211 H GLU 33 H GLU 33 4.693 -7.557 1.924 212 HA GLU 33 HA GLU 33 1.755 -7.701 1.768 213 HB2 GLU 33 1HB GLU 33 3.715 -7.691 4.074 214 HB3 GLU 33 2HB GLU 33 1.964 -7.757 4.290 215 HG2 GLU 33 1HG GLU 33 1.851 -9.816 2.972 216 HG3 GLU 33 2HG GLU 33 3.584 -9.737 2.663 217 H VAL 34 H VAL 34 0.487 -5.959 1.837 218 HA VAL 34 HA VAL 34 1.587 -3.388 2.925 219 HB VAL 34 HB VAL 34 -0.116 -3.881 0.474 220 HG11 VAL 34 1HG1 VAL 34 -0.014 -1.324 0.316 221 HG12 VAL 34 2HG1 VAL 34 0.449 -1.342 2.019 222 HG13 VAL 34 3HG1 VAL 34 -1.117 -1.984 1.523 223 HG21 VAL 34 3HG2 VAL 34 1.735 -2.616 -0.611 224 HG22 VAL 34 1HG2 VAL 34 2.307 -4.096 0.157 225 HG23 VAL 34 2HG2 VAL 34 2.564 -2.537 0.941 226 H SER 35 H SER 35 0.317 -2.384 4.373 227 HA SER 35 HA SER 35 -2.528 -3.254 4.669 228 HB2 SER 35 1HB SER 35 -2.100 -3.043 7.194 229 HB3 SER 35 2HB SER 35 -1.449 -4.473 6.399 230 HG SER 35 HG SER 35 -0.045 -2.064 6.961 231 H LEU 36 H LEU 36 -3.915 -1.597 5.169 232 HA LEU 36 HA LEU 36 -2.670 1.109 5.561 233 HB2 LEU 36 1HB LEU 36 -3.959 0.441 3.313 234 HB3 LEU 36 2HB LEU 36 -5.375 0.804 4.290 235 HG LEU 36 HG LEU 36 -4.722 2.829 3.140 236 HD11 LEU 36 1HD1 LEU 36 -5.376 2.869 5.641 237 HD12 LEU 36 2HD1 LEU 36 -4.608 4.307 4.980 238 HD13 LEU 36 3HD1 LEU 36 -3.666 3.184 5.943 239 HD21 LEU 36 3HD2 LEU 36 -2.150 1.862 3.193 240 HD22 LEU 36 1HD2 LEU 36 -2.060 3.083 4.462 241 HD23 LEU 36 2HD2 LEU 36 -2.563 3.535 2.835 242 H PHE 37 H PHE 37 -3.196 2.014 7.442 243 HA PHE 37 HA PHE 37 -5.501 0.935 8.992 244 HB2 PHE 37 1HB PHE 37 -3.126 2.645 9.770 245 HB3 PHE 37 2HB PHE 37 -4.428 2.206 10.878 246 HD1 PHE 37 HD1 PHE 37 -4.887 -0.226 11.342 247 HD2 PHE 37 HD2 PHE 37 -1.392 1.097 9.226 248 HE1 PHE 37 HE1 PHE 37 -3.803 -2.415 11.765 249 HE2 PHE 37 HE2 PHE 37 -0.307 -1.093 9.649 250 HZ PHE 37 HZ PHE 37 -1.513 -2.850 10.919 251 H GLY 38 H GLY 38 -7.130 2.294 9.745 252 HA2 GLY 38 1HA GLY 38 -7.132 5.139 9.570 253 HA3 GLY 38 2HA GLY 38 -7.902 4.490 8.122 254 H SER 39 H SER 39 -9.748 5.729 9.169 255 HA SER 39 HA SER 39 -11.036 4.487 11.490 256 HB2 SER 39 1HB SER 39 -11.453 6.792 11.373 257 HB3 SER 39 2HB SER 39 -11.664 6.758 9.625 258 HG SER 39 HG SER 39 -13.472 6.327 11.635 259 H ASP 40 H ASP 40 -13.109 5.384 8.878 260 HA ASP 40 HA ASP 40 -14.229 2.670 8.814 261 HB2 ASP 40 1HB ASP 40 -15.015 5.266 7.484 262 HB3 ASP 40 2HB ASP 40 -15.838 3.746 7.144 263 H LYS 41 H LYS 41 -14.951 1.962 6.476 264 HA LYS 41 HA LYS 41 -12.597 1.190 5.060 265 HB2 LYS 41 1HB LYS 41 -14.778 -0.051 5.039 266 HB3 LYS 41 2HB LYS 41 -15.435 1.224 4.012 267 HG2 LYS 41 1HG LYS 41 -13.757 0.772 2.302 268 HG3 LYS 41 2HG LYS 41 -12.989 -0.433 3.335 269 HD2 LYS 41 1HD LYS 41 -15.064 -1.783 3.293 270 HD3 LYS 41 2HD LYS 41 -15.813 -0.586 2.235 271 HE2 LYS 41 1HE LYS 41 -14.073 -0.982 0.536 272 HE3 LYS 41 2HE LYS 41 -13.302 -2.163 1.594 273 HZ1 LYS 41 3HZ LYS 41 -14.930 -2.971 -0.208 274 HZ2 LYS 41 1HZ LYS 41 -16.139 -2.459 0.865 275 HZ3 LYS 41 2HZ LYS 41 -15.025 -3.649 1.345 276 H ALA 42 H ALA 42 -14.844 3.855 4.611 277 HA ALA 42 HA ALA 42 -14.074 4.644 1.983 278 HB1 ALA 42 3HB ALA 42 -14.855 6.491 4.250 279 HB2 ALA 42 1HB ALA 42 -16.022 5.539 3.333 280 HB3 ALA 42 2HB ALA 42 -15.064 6.781 2.523 281 H HIS 43 H HIS 43 -12.687 5.395 5.148 282 HA HIS 43 HA HIS 43 -10.756 7.314 4.200 283 HB2 HIS 43 1HB HIS 43 -10.947 5.597 6.679 284 HB3 HIS 43 2HB HIS 43 -9.601 6.705 6.413 285 HD1 HIS 43 HD1 HIS 43 -10.266 9.285 6.118 286 HD2 HIS 43 HD2 HIS 43 -13.289 6.821 7.582 287 HE1 HIS 43 HE1 HIS 43 -12.027 10.818 7.094 288 H LEU 44 H LEU 44 -10.694 3.814 4.662 289 HA LEU 44 HA LEU 44 -7.897 3.413 4.243 290 HB2 LEU 44 1HB LEU 44 -10.249 1.595 3.656 291 HB3 LEU 44 2HB LEU 44 -8.567 1.073 3.684 292 HG LEU 44 HG LEU 44 -10.054 2.312 6.023 293 HD11 LEU 44 1HD1 LEU 44 -10.681 -0.081 5.253 294 HD12 LEU 44 2HD1 LEU 44 -10.247 0.143 6.947 295 HD13 LEU 44 3HD1 LEU 44 -9.076 -0.539 5.819 296 HD21 LEU 44 3HD2 LEU 44 -7.212 1.432 5.584 297 HD22 LEU 44 1HD2 LEU 44 -7.919 1.228 7.185 298 HD23 LEU 44 2HD2 LEU 44 -7.823 2.832 6.467 299 H GLU 45 H GLU 45 -10.613 3.449 1.956 300 HA GLU 45 HA GLU 45 -9.003 2.787 -0.347 301 HB2 GLU 45 1HB GLU 45 -11.696 4.145 -0.071 302 HB3 GLU 45 2HB GLU 45 -10.990 3.689 -1.621 303 HG2 GLU 45 1HG GLU 45 -10.908 1.340 -0.918 304 HG3 GLU 45 2HG GLU 45 -11.549 1.776 0.665 305 H GLY 46 H GLY 46 -10.041 5.819 1.136 306 HA2 GLY 46 1HA GLY 46 -9.114 7.594 -0.899 307 HA3 GLY 46 2HA GLY 46 -9.339 8.024 0.795 308 H LYS 47 H LYS 47 -7.479 6.229 1.944 309 HA LYS 47 HA LYS 47 -4.993 7.667 1.379 310 HB2 LYS 47 1HB LYS 47 -5.733 5.469 3.314 311 HB3 LYS 47 2HB LYS 47 -4.113 6.158 3.210 312 HG2 LYS 47 1HG LYS 47 -4.985 8.380 3.738 313 HG3 LYS 47 2HG LYS 47 -6.636 7.762 3.723 314 HD2 LYS 47 1HD LYS 47 -6.045 7.839 6.023 315 HD3 LYS 47 2HD LYS 47 -5.882 6.145 5.572 316 HE2 LYS 47 1HE LYS 47 -3.487 6.330 5.416 317 HE3 LYS 47 2HE LYS 47 -3.554 8.087 5.538 318 HZ1 LYS 47 3HZ LYS 47 -4.189 7.970 7.768 319 HZ2 LYS 47 1HZ LYS 47 -2.954 6.818 7.616 320 HZ3 LYS 47 2HZ LYS 47 -4.577 6.319 7.674 321 H LEU 48 H LEU 48 -6.469 4.684 0.495 322 HA LEU 48 HA LEU 48 -4.126 3.162 -0.138 323 HB2 LEU 48 1HB LEU 48 -6.376 2.149 0.068 324 HB3 LEU 48 2HB LEU 48 -6.895 3.028 -1.368 325 HG LEU 48 HG LEU 48 -5.194 1.845 -2.716 326 HD11 LEU 48 1HD1 LEU 48 -4.463 0.731 -0.016 327 HD12 LEU 48 2HD1 LEU 48 -3.409 1.307 -1.307 328 HD13 LEU 48 3HD1 LEU 48 -4.204 -0.258 -1.454 329 HD21 LEU 48 3HD2 LEU 48 -7.383 0.834 -2.640 330 HD22 LEU 48 1HD2 LEU 48 -7.055 0.112 -1.065 331 HD23 LEU 48 2HD2 LEU 48 -6.201 -0.467 -2.495 332 H ALA 49 H ALA 49 -6.074 5.459 -1.983 333 HA ALA 49 HA ALA 49 -4.972 5.053 -4.558 334 HB1 ALA 49 3HB ALA 49 -5.829 7.217 -5.101 335 HB2 ALA 49 1HB ALA 49 -5.688 7.765 -3.431 336 HB3 ALA 49 2HB ALA 49 -6.916 6.577 -3.866 337 H GLU 50 H GLU 50 -3.743 6.864 -1.813 338 HA GLU 50 HA GLU 50 -1.595 8.201 -3.184 339 HB2 GLU 50 1HB GLU 50 -2.054 7.437 -0.290 340 HB3 GLU 50 2HB GLU 50 -0.629 8.331 -0.811 341 HG2 GLU 50 1HG GLU 50 -2.128 10.029 -0.161 342 HG3 GLU 50 2HG GLU 50 -2.325 9.973 -1.910 343 H TYR 51 H TYR 51 -1.828 5.128 -1.456 344 HA TYR 51 HA TYR 51 0.920 4.400 -1.532 345 HB2 TYR 51 1HB TYR 51 -1.682 2.914 -1.334 346 HB3 TYR 51 2HB TYR 51 -0.206 1.985 -1.590 347 HD1 TYR 51 HD2 TYR 51 -0.837 5.110 0.405 348 HD2 TYR 51 HD1 TYR 51 0.331 0.978 0.453 349 HE1 TYR 51 HE2 TYR 51 -0.290 5.293 2.808 350 HE2 TYR 51 HE1 TYR 51 0.870 1.159 2.861 351 HH TYR 51 HH TYR 51 1.332 2.713 4.523 352 H ILE 52 H ILE 52 -1.690 3.826 -3.862 353 HA ILE 52 HA ILE 52 -0.161 2.253 -5.697 354 HB ILE 52 HB ILE 52 -2.566 4.047 -6.111 355 HG12 ILE 52 1HG1 ILE 52 -2.382 1.025 -6.029 356 HG13 ILE 52 2HG1 ILE 52 -2.745 2.002 -4.607 357 HG21 ILE 52 1HG2 ILE 52 -2.822 2.568 -8.212 358 HG22 ILE 52 2HG2 ILE 52 -1.116 2.179 -7.994 359 HG23 ILE 52 3HG2 ILE 52 -1.613 3.849 -8.273 360 HD11 ILE 52 3HD1 ILE 52 -4.333 2.131 -7.185 361 HD12 ILE 52 1HD1 ILE 52 -4.739 2.895 -5.648 362 HD13 ILE 52 2HD1 ILE 52 -4.789 1.139 -5.801 363 H SER 53 H SER 53 -0.758 5.750 -5.497 364 HA SER 53 HA SER 53 0.457 6.590 -7.884 365 HB2 SER 53 1HB SER 53 0.629 7.929 -5.171 366 HB3 SER 53 2HB SER 53 0.882 8.722 -6.723 367 HG SER 53 HG SER 53 -1.274 8.208 -7.245 368 H LEU 54 H LEU 54 2.040 6.185 -4.707 369 HA LEU 54 HA LEU 54 4.695 6.722 -5.667 370 HB2 LEU 54 1HB LEU 54 3.534 5.400 -3.231 371 HB3 LEU 54 2HB LEU 54 5.274 5.335 -3.504 372 HG LEU 54 HG LEU 54 4.521 7.280 -2.089 373 HD11 LEU 54 1HD1 LEU 54 5.610 8.576 -4.551 374 HD12 LEU 54 2HD1 LEU 54 6.536 7.214 -3.929 375 HD13 LEU 54 3HD1 LEU 54 6.217 8.603 -2.896 376 HD21 LEU 54 3HD2 LEU 54 3.225 9.047 -3.030 377 HD22 LEU 54 1HD2 LEU 54 2.389 7.569 -3.505 378 HD23 LEU 54 2HD2 LEU 54 3.410 8.415 -4.665 379 H ALA 55 H ALA 55 2.871 3.715 -5.252 380 HA ALA 55 HA ALA 55 5.014 1.938 -5.904 381 HB1 ALA 55 3HB ALA 55 2.121 1.374 -6.544 382 HB2 ALA 55 1HB ALA 55 2.687 1.429 -4.875 383 HB3 ALA 55 2HB ALA 55 3.366 0.251 -5.996 384 H LYS 56 H LYS 56 2.606 3.590 -7.921 385 HA LYS 56 HA LYS 56 3.220 2.249 -10.363 386 HB2 LYS 56 1HB LYS 56 1.242 3.837 -9.794 387 HB3 LYS 56 2HB LYS 56 2.353 5.139 -10.213 388 HG2 LYS 56 1HG LYS 56 2.691 4.188 -12.433 389 HG3 LYS 56 2HG LYS 56 1.677 2.808 -12.022 390 HD2 LYS 56 1HD LYS 56 -0.265 4.285 -11.738 391 HD3 LYS 56 2HD LYS 56 0.739 5.693 -12.085 392 HE2 LYS 56 1HE LYS 56 -0.621 4.827 -14.053 393 HE3 LYS 56 2HE LYS 56 1.110 4.982 -14.348 394 HZ1 LYS 56 3HZ LYS 56 0.247 2.866 -15.142 395 HZ2 LYS 56 1HZ LYS 56 -0.292 2.478 -13.582 396 HZ3 LYS 56 2HZ LYS 56 1.371 2.631 -13.890 397 H GLN 57 H GLN 57 4.522 5.217 -8.899 398 HA GLN 57 HA GLN 57 6.264 5.904 -11.077 399 HB2 GLN 57 1HB GLN 57 6.402 6.523 -8.115 400 HB3 GLN 57 2HB GLN 57 7.480 7.239 -9.313 401 HG2 GLN 57 1HG GLN 57 5.570 8.208 -10.498 402 HG3 GLN 57 2HG GLN 57 4.454 7.433 -9.373 403 HE21 GLN 57 2HE2 GLN 57 3.629 9.120 -8.103 404 HE22 GLN 57 1HE2 GLN 57 4.577 10.291 -7.323 405 H VAL 58 H VAL 58 6.780 4.027 -8.103 406 HA VAL 58 HA VAL 58 9.567 3.507 -8.543 407 HB VAL 58 HB VAL 58 7.459 1.994 -6.981 408 HG11 VAL 58 1HG1 VAL 58 9.195 0.409 -7.411 409 HG12 VAL 58 2HG1 VAL 58 9.515 1.042 -5.797 410 HG13 VAL 58 3HG1 VAL 58 10.456 1.619 -7.172 411 HG21 VAL 58 3HG2 VAL 58 9.715 3.748 -5.984 412 HG22 VAL 58 1HG2 VAL 58 8.319 3.163 -5.079 413 HG23 VAL 58 2HG2 VAL 58 8.107 4.381 -6.337 414 H TYR 59 H TYR 59 6.636 1.646 -9.346 415 HA TYR 59 HA TYR 59 8.287 0.064 -11.291 416 HB2 TYR 59 1HB TYR 59 7.616 -1.263 -9.268 417 HB3 TYR 59 2HB TYR 59 5.931 -0.995 -9.710 418 HD1 TYR 59 HD1 TYR 59 9.129 -2.533 -10.793 419 HD2 TYR 59 HD2 TYR 59 4.913 -2.190 -11.535 420 HE1 TYR 59 HE1 TYR 59 9.256 -4.431 -12.386 421 HE2 TYR 59 HE2 TYR 59 5.038 -4.090 -13.126 422 HH TYR 59 HH TYR 59 7.793 -6.111 -13.360 423 H ALA 60 H ALA 60 7.522 0.029 -13.301 424 HA ALA 60 HA ALA 60 5.690 1.792 -14.369 425 HB1 ALA 60 3HB ALA 60 7.109 0.529 -15.832 426 HB2 ALA 60 1HB ALA 60 5.449 0.107 -16.259 427 HB3 ALA 60 2HB ALA 60 6.415 -0.995 -15.278 428 H ASN 61 H ASN 61 4.538 -1.370 -15.068 429 HA ASN 61 HA ASN 61 1.847 -0.599 -14.147 430 HB2 ASN 61 1HB ASN 61 2.881 -3.002 -15.674 431 HB3 ASN 61 2HB ASN 61 1.182 -2.747 -15.274 432 HD21 ASN 61 2HD2 ASN 61 1.728 0.312 -15.642 433 HD22 ASN 61 1HD2 ASN 61 1.674 0.514 -17.325 434 H VAL 62 H VAL 62 2.068 -0.697 -11.890 435 HA VAL 62 HA VAL 62 3.014 -3.134 -10.580 436 HB VAL 62 HB VAL 62 3.333 -0.919 -9.535 437 HG11 VAL 62 1HG1 VAL 62 0.340 -0.897 -9.078 438 HG12 VAL 62 2HG1 VAL 62 1.107 -0.014 -10.398 439 HG13 VAL 62 3HG1 VAL 62 1.499 0.386 -8.727 440 HG21 VAL 62 3HG2 VAL 62 1.384 -2.520 -7.868 441 HG22 VAL 62 1HG2 VAL 62 2.777 -1.588 -7.320 442 HG23 VAL 62 2HG2 VAL 62 3.017 -3.092 -8.208 443 H GLU 63 H GLU 63 1.785 -4.776 -9.795 444 HA GLU 63 HA GLU 63 -1.179 -4.629 -10.249 445 HB2 GLU 63 1HB GLU 63 0.021 -6.296 -11.649 446 HB3 GLU 63 2HB GLU 63 0.618 -7.071 -10.180 447 HG2 GLU 63 1HG GLU 63 -1.692 -7.510 -9.454 448 HG3 GLU 63 2HG GLU 63 -2.306 -6.696 -10.893 449 H TYR 64 H TYR 64 -2.503 -5.096 -8.546 450 HA TYR 64 HA TYR 64 -1.372 -6.283 -6.078 451 HB2 TYR 64 1HB TYR 64 -2.269 -4.437 -4.690 452 HB3 TYR 64 2HB TYR 64 -1.008 -3.877 -5.788 453 HD1 TYR 64 HD2 TYR 64 -1.550 -2.494 -7.741 454 HD2 TYR 64 HD1 TYR 64 -4.613 -3.829 -5.040 455 HE1 TYR 64 HE2 TYR 64 -3.128 -0.848 -8.717 456 HE2 TYR 64 HE1 TYR 64 -6.190 -2.181 -6.017 457 HH TYR 64 HH TYR 64 -5.248 0.381 -7.890 458 H GLU 65 H GLU 65 -3.101 -6.802 -4.511 459 HA GLU 65 HA GLU 65 -5.848 -6.908 -5.663 460 HB2 GLU 65 1HB GLU 65 -4.646 -9.074 -6.160 461 HB3 GLU 65 2HB GLU 65 -4.466 -9.304 -4.421 462 HG2 GLU 65 1HG GLU 65 -6.432 -10.522 -5.111 463 HG3 GLU 65 2HG GLU 65 -6.977 -9.102 -4.220 464 H VAL 66 H VAL 66 -7.456 -6.875 -4.111 465 HA VAL 66 HA VAL 66 -6.541 -6.405 -1.293 466 HB VAL 66 HB VAL 66 -8.557 -4.983 -1.090 467 HG11 VAL 66 1HG1 VAL 66 -7.731 -3.195 -2.745 468 HG12 VAL 66 2HG1 VAL 66 -6.531 -4.385 -3.247 469 HG13 VAL 66 3HG1 VAL 66 -6.559 -3.807 -1.582 470 HG21 VAL 66 3HG2 VAL 66 -8.860 -5.732 -4.007 471 HG22 VAL 66 1HG2 VAL 66 -9.611 -4.290 -3.325 472 HG23 VAL 66 2HG2 VAL 66 -10.053 -5.885 -2.718 473 H ALA 67 H ALA 67 -7.269 -7.778 0.183 474 HA ALA 67 HA ALA 67 -9.115 -9.900 -0.565 475 HB1 ALA 67 3HB ALA 67 -8.047 -11.020 1.109 476 HB2 ALA 67 1HB ALA 67 -8.515 -9.800 2.294 477 HB3 ALA 67 2HB ALA 67 -7.052 -9.584 1.339 478 HA PRO 68 HA PRO 68 -12.995 -8.573 1.060 479 HB2 PRO 68 1HB PRO 68 -12.779 -10.481 3.365 480 HB3 PRO 68 2HB PRO 68 -14.081 -10.298 2.172 481 HG2 PRO 68 1HG PRO 68 -12.361 -12.333 2.040 482 HG3 PRO 68 2HG PRO 68 -12.976 -11.542 0.575 483 HD2 PRO 68 1HD PRO 68 -10.272 -11.318 1.841 484 HD3 PRO 68 2HD PRO 68 -10.736 -11.240 0.128 485 H VAL 69 H VAL 69 -13.453 -6.751 2.189 486 HA VAL 69 HA VAL 69 -12.185 -6.321 4.866 487 HB VAL 69 HB VAL 69 -12.348 -4.390 2.546 488 HG11 VAL 69 1HG1 VAL 69 -11.275 -2.802 4.273 489 HG12 VAL 69 2HG1 VAL 69 -11.893 -3.911 5.494 490 HG13 VAL 69 3HG1 VAL 69 -13.010 -3.076 4.416 491 HG21 VAL 69 3HG2 VAL 69 -9.987 -5.130 4.289 492 HG22 VAL 69 1HG2 VAL 69 -9.970 -4.360 2.702 493 HG23 VAL 69 2HG2 VAL 69 -10.407 -6.060 2.851 494 H ALA 70 H ALA 70 -13.558 -5.632 6.394 495 HA ALA 70 HA ALA 70 -16.399 -5.521 5.848 496 HB1 ALA 70 3HB ALA 70 -16.667 -5.354 8.187 497 HB2 ALA 70 1HB ALA 70 -15.098 -4.577 8.402 498 HB3 ALA 70 2HB ALA 70 -15.184 -6.292 8.003 499 H ASP 71 H ASP 71 -17.783 -3.714 6.159 500 HA ASP 71 HA ASP 71 -16.867 -1.242 5.039 501 HB2 ASP 71 1HB ASP 71 -19.223 -2.001 4.941 502 HB3 ASP 71 2HB ASP 71 -19.347 -1.808 6.690 503 H ASN 72 H ASN 72 -17.343 -2.347 8.359 504 HA ASN 72 HA ASN 72 -16.507 0.303 9.421 505 HB2 ASN 72 1HB ASN 72 -17.117 -0.628 11.612 506 HB3 ASN 72 2HB ASN 72 -18.437 -0.861 10.469 507 HD21 ASN 72 2HD2 ASN 72 -18.951 -2.652 12.175 508 HD22 ASN 72 1HD2 ASN 72 -18.243 -4.172 11.915 509 H ALA 73 H ALA 73 -14.812 -1.837 7.991 510 HA ALA 73 HA ALA 73 -12.982 -2.958 9.879 511 HB1 ALA 73 3HB ALA 73 -13.048 -3.802 7.613 512 HB2 ALA 73 1HB ALA 73 -11.445 -3.123 7.892 513 HB3 ALA 73 2HB ALA 73 -12.639 -2.215 6.966 514 H THR 74 H THR 74 -11.038 -2.204 10.675 515 HA THR 74 HA THR 74 -10.524 0.729 10.378 516 HB THR 74 HB THR 74 -9.606 0.692 12.550 517 HG1 THR 74 HG1 THR 74 -8.259 -1.114 12.194 518 HG21 THR 74 3HG2 THR 74 -11.638 -1.529 12.779 519 HG22 THR 74 1HG2 THR 74 -12.111 0.125 12.391 520 HG23 THR 74 2HG2 THR 74 -11.311 -0.227 13.921 521 H GLU 75 H GLU 75 -9.515 -2.171 9.160 522 HA GLU 75 HA GLU 75 -6.834 -1.046 8.501 523 HB2 GLU 75 1HB GLU 75 -6.525 -2.618 10.412 524 HB3 GLU 75 2HB GLU 75 -7.253 -3.897 9.440 525 HG2 GLU 75 1HG GLU 75 -5.489 -3.696 7.770 526 HG3 GLU 75 2HG GLU 75 -4.790 -2.322 8.628 527 H LEU 76 H LEU 76 -5.957 -1.915 6.545 528 HA LEU 76 HA LEU 76 -7.992 -3.263 4.799 529 HB2 LEU 76 1HB LEU 76 -7.344 -0.854 4.259 530 HB3 LEU 76 2HB LEU 76 -5.733 -1.472 3.897 531 HG LEU 76 HG LEU 76 -7.089 -3.208 2.390 532 HD11 LEU 76 1HD1 LEU 76 -9.277 -2.141 3.259 533 HD12 LEU 76 2HD1 LEU 76 -9.144 -2.416 1.526 534 HD13 LEU 76 3HD1 LEU 76 -8.900 -0.799 2.184 535 HD21 LEU 76 3HD2 LEU 76 -6.804 -1.691 0.471 536 HD22 LEU 76 1HD2 LEU 76 -5.419 -1.587 1.557 537 HD23 LEU 76 2HD2 LEU 76 -6.645 -0.319 1.568 538 H HIS 77 H HIS 77 -7.393 -5.143 3.902 539 HA HIS 77 HA HIS 77 -4.565 -6.050 4.252 540 HB2 HIS 77 1HB HIS 77 -6.515 -7.373 5.255 541 HB3 HIS 77 2HB HIS 77 -6.968 -7.768 3.596 542 HD1 HIS 77 HD1 HIS 77 -6.074 -10.063 5.403 543 HD2 HIS 77 HD2 HIS 77 -3.428 -7.876 3.041 544 HE1 HIS 77 HE1 HIS 77 -4.027 -11.520 5.084 545 H ALA 78 H ALA 78 -3.448 -5.589 2.419 546 HA ALA 78 HA ALA 78 -4.499 -6.634 -0.154 547 HB1 ALA 78 3HB ALA 78 -4.305 -4.597 -1.328 548 HB2 ALA 78 1HB ALA 78 -3.358 -3.841 -0.044 549 HB3 ALA 78 2HB ALA 78 -5.081 -4.128 0.185 550 H ARG 79 H ARG 79 -2.799 -6.801 -1.779 551 HA ARG 79 HA ARG 79 -0.011 -6.716 -0.681 552 HB2 ARG 79 1HB ARG 79 -1.330 -8.951 -2.245 553 HB3 ARG 79 2HB ARG 79 0.400 -8.855 -1.919 554 HG2 ARG 79 1HG ARG 79 -0.041 -8.863 0.500 555 HG3 ARG 79 2HG ARG 79 -1.777 -8.937 0.190 556 HD2 ARG 79 1HD ARG 79 0.219 -11.016 -0.754 557 HD3 ARG 79 2HD ARG 79 -0.777 -11.177 0.692 558 HE ARG 79 HE ARG 79 -1.701 -11.441 -2.077 559 HH11 ARG 79 1HH2 ARG 79 -2.501 -10.833 1.231 560 HH12 ARG 79 2HH2 ARG 79 -4.156 -11.309 1.048 561 HH21 ARG 79 1HH1 ARG 79 -3.844 -12.063 -2.319 562 HH22 ARG 79 2HH1 ARG 79 -4.916 -12.004 -0.960 563 H PHE 80 H PHE 80 1.593 -6.273 -2.235 564 HA PHE 80 HA PHE 80 0.592 -5.391 -4.932 565 HB2 PHE 80 1HB PHE 80 2.597 -4.139 -3.051 566 HB3 PHE 80 2HB PHE 80 2.581 -3.755 -4.773 567 HD1 PHE 80 HD1 PHE 80 0.288 -3.988 -1.820 568 HD2 PHE 80 HD2 PHE 80 1.158 -2.063 -5.557 569 HE1 PHE 80 HE1 PHE 80 -1.584 -2.405 -1.440 570 HE2 PHE 80 HE2 PHE 80 -0.715 -0.483 -5.181 571 HZ PHE 80 HZ PHE 80 -2.086 -0.654 -3.122 572 H LYS 81 H LYS 81 1.918 -5.835 -6.688 573 HA LYS 81 HA LYS 81 4.092 -7.831 -6.193 574 HB2 LYS 81 1HB LYS 81 2.130 -8.607 -7.520 575 HB3 LYS 81 2HB LYS 81 2.486 -7.355 -8.711 576 HG2 LYS 81 1HG LYS 81 4.701 -8.322 -9.104 577 HG3 LYS 81 2HG LYS 81 4.408 -9.542 -7.866 578 HD2 LYS 81 1HD LYS 81 2.497 -10.408 -9.173 579 HD3 LYS 81 2HD LYS 81 2.809 -9.200 -10.420 580 HE2 LYS 81 1HE LYS 81 3.832 -11.308 -11.090 581 HE3 LYS 81 2HE LYS 81 5.105 -10.150 -10.705 582 HZ1 LYS 81 3HZ LYS 81 5.824 -11.432 -9.061 583 HZ2 LYS 81 1HZ LYS 81 4.787 -12.649 -9.625 584 HZ3 LYS 81 2HZ LYS 81 4.268 -11.595 -8.399 585 H PHE 82 H PHE 82 6.036 -6.916 -6.312 586 HA PHE 82 HA PHE 82 6.486 -4.585 -8.119 587 HB2 PHE 82 1HB PHE 82 8.040 -5.752 -5.798 588 HB3 PHE 82 2HB PHE 82 8.666 -4.458 -6.816 589 HD1 PHE 82 HD1 PHE 82 7.530 -2.257 -6.894 590 HD2 PHE 82 HD2 PHE 82 6.286 -5.355 -4.192 591 HE1 PHE 82 HE1 PHE 82 6.242 -0.594 -5.584 592 HE2 PHE 82 HE2 PHE 82 4.996 -3.691 -2.881 593 HZ PHE 82 HZ PHE 82 4.973 -1.311 -3.578 594 H GLU 83 H GLU 83 9.302 -6.226 -7.269 595 HA GLU 83 HA GLU 83 9.404 -8.197 -9.382 596 HB2 GLU 83 1HB GLU 83 9.519 -6.037 -10.693 597 HB3 GLU 83 2HB GLU 83 11.000 -5.655 -9.817 598 HG2 GLU 83 1HG GLU 83 11.656 -6.660 -11.903 599 HG3 GLU 83 2HG GLU 83 11.942 -7.859 -10.641 600 H VAL 84 H VAL 84 11.150 -5.991 -7.234 601 HA VAL 84 HA VAL 84 12.976 -8.250 -6.505 602 HB VAL 84 HB VAL 84 14.839 -6.616 -6.309 603 HG11 VAL 84 1HG1 VAL 84 13.477 -6.850 -9.004 604 HG12 VAL 84 2HG1 VAL 84 14.715 -7.914 -8.337 605 HG13 VAL 84 3HG1 VAL 84 15.125 -6.260 -8.789 606 HG21 VAL 84 3HG2 VAL 84 13.476 -4.586 -6.001 607 HG22 VAL 84 1HG2 VAL 84 12.869 -4.732 -7.649 608 HG23 VAL 84 2HG2 VAL 84 14.576 -4.394 -7.362 609 H SER 85 H SER 85 13.959 -7.946 -4.357 610 HA SER 85 HA SER 85 11.989 -7.062 -2.419 611 HB2 SER 85 1HB SER 85 14.805 -8.129 -2.240 612 HB3 SER 85 2HB SER 85 13.950 -7.573 -0.806 613 HG SER 85 HG SER 85 13.144 -9.594 -2.634 614 H ALA 86 H ALA 86 14.643 -5.578 -4.041 615 HA ALA 86 HA ALA 86 15.377 -3.589 -2.116 616 HB1 ALA 86 3HB ALA 86 16.643 -4.120 -4.221 617 HB2 ALA 86 1HB ALA 86 16.349 -2.395 -4.001 618 HB3 ALA 86 2HB ALA 86 15.364 -3.321 -5.134 619 H GLU 87 H GLU 87 12.867 -3.664 -4.615 620 HA GLU 87 HA GLU 87 11.992 -0.939 -4.198 621 HB2 GLU 87 1HB GLU 87 10.649 -3.341 -5.466 622 HB3 GLU 87 2HB GLU 87 9.944 -1.723 -5.458 623 HG2 GLU 87 1HG GLU 87 11.912 -0.841 -6.634 624 HG3 GLU 87 2HG GLU 87 12.658 -2.437 -6.608 625 H LYS 88 H LYS 88 11.179 -4.049 -2.797 626 HA LYS 88 HA LYS 88 8.759 -3.298 -1.485 627 HB2 LYS 88 1HB LYS 88 9.537 -5.632 -1.684 628 HB3 LYS 88 2HB LYS 88 10.879 -5.271 -0.604 629 HG2 LYS 88 1HG LYS 88 8.211 -4.528 0.490 630 HG3 LYS 88 2HG LYS 88 8.435 -6.255 0.238 631 HD2 LYS 88 1HD LYS 88 10.496 -6.202 1.579 632 HD3 LYS 88 2HD LYS 88 10.315 -4.466 1.814 633 HE2 LYS 88 1HE LYS 88 8.156 -4.842 2.945 634 HE3 LYS 88 2HE LYS 88 8.345 -6.582 2.717 635 HZ1 LYS 88 3HZ LYS 88 9.123 -6.124 4.869 636 HZ2 LYS 88 1HZ LYS 88 10.006 -4.768 4.362 637 HZ3 LYS 88 2HZ LYS 88 10.522 -6.328 3.925 638 H LEU 89 H LEU 89 12.132 -3.260 -0.313 639 HA LEU 89 HA LEU 89 11.511 -2.170 2.268 640 HB2 LEU 89 1HB LEU 89 14.034 -2.045 0.598 641 HB3 LEU 89 2HB LEU 89 13.945 -1.512 2.275 642 HG LEU 89 HG LEU 89 13.216 -4.307 1.348 643 HD11 LEU 89 1HD1 LEU 89 15.423 -4.921 2.441 644 HD12 LEU 89 2HD1 LEU 89 15.809 -3.200 2.454 645 HD13 LEU 89 3HD1 LEU 89 15.564 -4.037 0.921 646 HD21 LEU 89 3HD2 LEU 89 12.176 -4.039 3.431 647 HD22 LEU 89 1HD2 LEU 89 13.413 -2.931 4.026 648 HD23 LEU 89 2HD2 LEU 89 13.750 -4.659 3.918 649 H ILE 90 H ILE 90 12.451 -0.653 -0.799 650 HA ILE 90 HA ILE 90 12.525 2.039 0.192 651 HB ILE 90 HB ILE 90 12.004 0.923 -2.578 652 HG12 ILE 90 1HG1 ILE 90 14.477 2.259 -1.446 653 HG13 ILE 90 2HG1 ILE 90 14.247 0.511 -1.467 654 HG21 ILE 90 1HG2 ILE 90 12.397 3.758 -1.606 655 HG22 ILE 90 2HG2 ILE 90 11.081 3.124 -2.595 656 HG23 ILE 90 3HG2 ILE 90 12.698 3.287 -3.278 657 HD11 ILE 90 3HD1 ILE 90 14.202 2.311 -3.911 658 HD12 ILE 90 1HD1 ILE 90 14.011 0.557 -3.918 659 HD13 ILE 90 2HD1 ILE 90 15.547 1.274 -3.432 660 H PHE 91 H PHE 91 9.976 0.155 -1.402 661 HA PHE 91 HA PHE 91 7.991 2.228 -1.392 662 HB2 PHE 91 1HB PHE 91 7.872 0.193 -2.810 663 HB3 PHE 91 2HB PHE 91 7.621 -0.779 -1.361 664 HD1 PHE 91 HD1 PHE 91 6.224 2.198 -3.154 665 HD2 PHE 91 HD2 PHE 91 5.432 -1.155 -0.589 666 HE1 PHE 91 HE1 PHE 91 3.797 2.695 -3.252 667 HE2 PHE 91 HE2 PHE 91 3.005 -0.657 -0.688 668 HZ PHE 91 HZ PHE 91 2.187 1.266 -2.021 669 H GLU 92 H GLU 92 8.682 -0.437 0.846 670 HA GLU 92 HA GLU 92 6.514 -0.026 2.629 671 HB2 GLU 92 1HB GLU 92 8.096 -1.993 2.622 672 HB3 GLU 92 2HB GLU 92 9.297 -0.948 3.377 673 HG2 GLU 92 1HG GLU 92 8.196 -2.165 5.141 674 HG3 GLU 92 2HG GLU 92 7.625 -0.497 5.219 675 H LEU 93 H LEU 93 9.721 1.449 2.493 676 HA LEU 93 HA LEU 93 9.565 2.892 4.957 677 HB2 LEU 93 1HB LEU 93 11.660 2.591 3.738 678 HB3 LEU 93 2HB LEU 93 11.031 3.530 2.388 679 HG LEU 93 HG LEU 93 10.876 4.939 5.007 680 HD11 LEU 93 1HD1 LEU 93 13.333 5.550 4.892 681 HD12 LEU 93 2HD1 LEU 93 13.544 4.182 3.797 682 HD13 LEU 93 3HD1 LEU 93 12.992 3.912 5.450 683 HD21 LEU 93 3HD2 LEU 93 10.464 5.854 2.619 684 HD22 LEU 93 1HD2 LEU 93 12.218 5.852 2.452 685 HD23 LEU 93 2HD2 LEU 93 11.450 6.837 3.698 686 H LYS 94 H LYS 94 8.692 3.792 1.635 687 HA LYS 94 HA LYS 94 7.859 6.470 2.242 688 HB2 LYS 94 1HB LYS 94 7.111 4.573 0.006 689 HB3 LYS 94 2HB LYS 94 6.592 6.256 0.061 690 HG2 LYS 94 1HG LYS 94 8.952 6.984 0.131 691 HG3 LYS 94 2HG LYS 94 9.471 5.299 0.074 692 HD2 LYS 94 1HD LYS 94 8.448 5.009 -2.119 693 HD3 LYS 94 2HD LYS 94 7.785 6.641 -2.054 694 HE2 LYS 94 1HE LYS 94 9.836 6.587 -3.422 695 HE3 LYS 94 2HE LYS 94 10.068 7.572 -1.979 696 HZ1 LYS 94 3HZ LYS 94 11.675 5.551 -2.754 697 HZ2 LYS 94 1HZ LYS 94 10.690 4.789 -1.605 698 HZ3 LYS 94 2HZ LYS 94 11.581 6.169 -1.175 699 H THR 95 H THR 95 6.096 3.390 2.082 700 HA THR 95 HA THR 95 3.490 4.515 2.552 701 HB THR 95 HB THR 95 2.934 2.151 3.284 702 HG1 THR 95 HG1 THR 95 5.554 1.565 2.444 703 HG21 THR 95 3HG2 THR 95 2.774 2.901 0.921 704 HG22 THR 95 1HG2 THR 95 3.237 1.205 1.045 705 HG23 THR 95 2HG2 THR 95 4.454 2.427 0.675 706 H ARG 96 H ARG 96 6.018 3.289 4.702 707 HA ARG 96 HA ARG 96 4.504 3.443 7.133 708 HB2 ARG 96 1HB ARG 96 7.466 3.574 6.546 709 HB3 ARG 96 2HB ARG 96 6.829 3.585 8.187 710 HG2 ARG 96 1HG ARG 96 5.988 1.426 6.254 711 HG3 ARG 96 2HG ARG 96 7.528 1.299 7.099 712 HD2 ARG 96 1HD ARG 96 6.317 1.584 9.269 713 HD3 ARG 96 2HD ARG 96 4.794 1.575 8.383 714 HE ARG 96 HE ARG 96 6.539 -0.758 7.956 715 HH11 ARG 96 1HH2 ARG 96 3.879 0.708 9.606 716 HH12 ARG 96 2HH2 ARG 96 3.172 -0.801 10.068 717 HH21 ARG 96 1HH1 ARG 96 5.629 -2.720 8.559 718 HH22 ARG 96 2HH1 ARG 96 4.161 -2.740 9.478 719 H ALA 97 H ALA 97 6.583 5.770 5.469 720 HA ALA 97 HA ALA 97 6.516 7.796 7.485 721 HB1 ALA 97 3HB ALA 97 7.263 9.299 5.724 722 HB2 ALA 97 1HB ALA 97 6.701 8.179 4.487 723 HB3 ALA 97 2HB ALA 97 8.069 7.743 5.511 724 H LEU 98 H LEU 98 4.507 7.337 4.576 725 HA LEU 98 HA LEU 98 2.797 9.589 5.050 726 HB2 LEU 98 1HB LEU 98 2.356 7.014 3.523 727 HB3 LEU 98 2HB LEU 98 1.233 8.371 3.484 728 HG LEU 98 HG LEU 98 4.167 8.570 2.735 729 HD11 LEU 98 1HD1 LEU 98 3.196 8.776 0.375 730 HD12 LEU 98 2HD1 LEU 98 1.703 8.113 1.040 731 HD13 LEU 98 3HD1 LEU 98 3.188 7.160 1.081 732 HD21 LEU 98 3HD2 LEU 98 1.841 10.485 2.740 733 HD22 LEU 98 1HD2 LEU 98 3.096 10.671 1.516 734 HD23 LEU 98 2HD2 LEU 98 3.514 10.761 3.223 735 H ALA 99 H ALA 99 2.513 6.164 5.926 736 HA ALA 99 HA ALA 99 -0.086 6.396 7.142 737 HB1 ALA 99 3HB ALA 99 1.198 4.268 6.417 738 HB2 ALA 99 1HB ALA 99 0.266 4.185 7.912 739 HB3 ALA 99 2HB ALA 99 2.017 4.396 7.972 740 H ARG 100 H ARG 100 3.211 6.637 8.413 741 HA ARG 100 HA ARG 100 2.207 7.191 11.143 742 HB2 ARG 100 1HB ARG 100 5.036 7.149 10.049 743 HB3 ARG 100 2HB ARG 100 4.587 7.203 11.753 744 HG2 ARG 100 1HG ARG 100 3.657 4.966 9.943 745 HG3 ARG 100 2HG ARG 100 5.211 4.896 10.769 746 HD2 ARG 100 1HD ARG 100 4.024 5.254 12.941 747 HD3 ARG 100 2HD ARG 100 2.491 5.169 12.086 748 HE ARG 100 HE ARG 100 4.321 2.911 12.590 749 HH11 ARG 100 1HH2 ARG 100 1.522 4.185 10.998 750 HH12 ARG 100 2HH2 ARG 100 0.839 2.625 10.692 751 HH21 ARG 100 1HH1 ARG 100 3.435 0.895 12.196 752 HH22 ARG 100 2HH1 ARG 100 1.921 0.766 11.366 753 H LEU 101 H LEU 101 2.750 8.880 8.349 754 HA LEU 101 HA LEU 101 2.890 11.145 7.855 755 HB2 LEU 101 1HB LEU 101 0.984 11.066 9.614 756 HB3 LEU 101 2HB LEU 101 2.183 11.713 10.733 757 HG LEU 101 HG LEU 101 2.606 13.471 8.784 758 HD11 LEU 101 1HD1 LEU 101 1.117 12.400 7.148 759 HD12 LEU 101 2HD1 LEU 101 0.511 13.998 7.569 760 HD13 LEU 101 3HD1 LEU 101 -0.239 12.561 8.262 761 HD21 LEU 101 3HD2 LEU 101 0.228 13.490 10.660 762 HD22 LEU 101 1HD2 LEU 101 0.780 14.909 9.768 763 HD23 LEU 101 2HD2 LEU 101 1.833 14.154 10.963 764 H GLU 102 H GLU 102 4.235 12.987 8.099 765 HA GLU 102 HA GLU 102 6.896 12.609 8.690 766 HB2 GLU 102 1HB GLU 102 5.287 15.154 9.028 767 HB3 GLU 102 2HB GLU 102 7.049 15.093 8.993 768 HG2 GLU 102 1HG GLU 102 5.252 14.094 6.762 769 HG3 GLU 102 2HG GLU 102 6.053 15.665 6.772 770 H HIS 103 H HIS 103 8.205 13.638 10.468 771 HA HIS 103 HA HIS 103 8.828 13.660 12.717 772 HB2 HIS 103 1HB HIS 103 5.891 14.243 13.238 773 HB3 HIS 103 2HB HIS 103 7.249 14.605 14.298 774 HD1 HIS 103 HD1 HIS 103 5.362 16.841 13.177 775 HD2 HIS 103 HD2 HIS 103 9.021 15.773 11.488 776 HE1 HIS 103 HE1 HIS 103 6.152 18.848 11.852 777 H HIS 104 H HIS 104 7.344 11.276 11.325 778 HA HIS 104 HA HIS 104 6.573 9.137 11.922 779 HB2 HIS 104 1HB HIS 104 8.744 9.678 13.966 780 HB3 HIS 104 2HB HIS 104 7.987 8.098 13.755 781 HD1 HIS 104 HD1 HIS 104 8.205 7.036 11.273 782 HD2 HIS 104 HD2 HIS 104 10.750 10.234 12.103 783 HE1 HIS 104 HE1 HIS 104 10.008 6.998 9.494 784 H HIS 105 H HIS 105 4.675 10.771 12.686 785 HA HIS 105 HA HIS 105 3.019 11.271 14.280 786 HB2 HIS 105 1HB HIS 105 2.492 8.959 13.639 787 HB3 HIS 105 2HB HIS 105 3.574 8.352 14.893 788 HD1 HIS 105 HD1 HIS 105 0.489 10.588 14.613 789 HD2 HIS 105 HD2 HIS 105 2.313 7.999 17.324 790 HE1 HIS 105 HE1 HIS 105 -1.069 10.420 16.603 791 H HIS 106 H HIS 106 4.123 12.742 15.618 792 HA HIS 106 HA HIS 106 5.879 11.928 17.747 793 HB2 HIS 106 1HB HIS 106 5.756 14.229 18.488 794 HB3 HIS 106 2HB HIS 106 5.843 14.211 16.728 795 HD1 HIS 106 HD1 HIS 106 3.552 14.636 15.429 796 HD2 HIS 106 HD2 HIS 106 3.423 15.375 19.531 797 HE1 HIS 106 HE1 HIS 106 1.454 15.993 15.848 798 H HIS 107 H HIS 107 5.464 11.488 19.862 799 HA HIS 107 HA HIS 107 2.752 10.709 20.572 800 HB2 HIS 107 1HB HIS 107 5.331 10.765 22.161 801 HB3 HIS 107 2HB HIS 107 3.816 10.077 22.749 802 HD1 HIS 107 HD1 HIS 107 6.540 9.513 20.206 803 HD2 HIS 107 HD2 HIS 107 3.105 7.590 21.581 804 HE1 HIS 107 HE1 HIS 107 6.580 7.179 19.219 805 H HIS 108 H HIS 108 1.367 11.717 21.975 806 HA HIS 108 HA HIS 108 1.456 14.536 22.286 807 HB2 HIS 108 1HB HIS 108 -0.628 13.255 22.385 808 HB3 HIS 108 2HB HIS 108 -0.091 12.466 23.867 809 HD1 HIS 108 HD1 HIS 108 -0.740 15.999 22.589 810 HD2 HIS 108 HD2 HIS 108 -0.819 13.842 26.156 811 HE1 HIS 108 HE1 HIS 108 -1.626 17.577 24.360 Start of MODEL 20 1 H1 MET 1 1H MET 1 1.850 -3.149 18.548 2 H2 MET 1 2H MET 1 0.647 -3.713 17.488 3 H3 MET 1 3H MET 1 1.641 -4.816 18.314 4 HA MET 1 HA MET 1 0.560 -3.344 20.324 5 HB2 MET 1 1HB MET 1 -1.493 -3.872 18.157 6 HB3 MET 1 2HB MET 1 -1.895 -3.480 19.828 7 HG2 MET 1 1HG MET 1 -0.613 -1.360 19.614 8 HG3 MET 1 2HG MET 1 -0.307 -1.737 17.920 9 HE1 MET 1 3HE MET 1 -3.470 -1.394 16.073 10 HE2 MET 1 1HE MET 1 -3.201 -2.965 16.839 11 HE3 MET 1 2HE MET 1 -1.840 -2.047 16.202 12 H SER 2 H SER 2 -0.267 -4.780 21.844 13 HA SER 2 HA SER 2 -0.538 -6.853 22.877 14 HB2 SER 2 1HB SER 2 -2.587 -7.141 21.770 15 HB3 SER 2 2HB SER 2 -1.835 -7.264 20.187 16 HG SER 2 HG SER 2 -1.098 -9.291 20.721 17 H ASN 3 H ASN 3 1.985 -6.540 22.373 18 HA ASN 3 HA ASN 3 3.073 -8.650 20.627 19 HB2 ASN 3 1HB ASN 3 4.369 -6.629 22.477 20 HB3 ASN 3 2HB ASN 3 5.280 -7.803 21.529 21 HD21 ASN 3 2HD2 ASN 3 5.119 -4.760 21.280 22 HD22 ASN 3 1HD2 ASN 3 4.683 -4.491 19.661 23 H GLN 4 H GLN 4 2.842 -10.671 21.415 24 HA GLN 4 HA GLN 4 2.959 -11.235 24.296 25 HB2 GLN 4 1HB GLN 4 2.729 -13.073 21.896 26 HB3 GLN 4 2HB GLN 4 2.569 -13.583 23.576 27 HG2 GLN 4 1HG GLN 4 0.804 -11.537 22.196 28 HG3 GLN 4 2HG GLN 4 0.362 -13.216 22.508 29 HE21 GLN 4 2HE2 GLN 4 -0.227 -10.234 23.712 30 HE22 GLN 4 1HE2 GLN 4 -0.389 -10.594 25.362 31 H THR 5 H THR 5 4.263 -13.875 22.929 32 HA THR 5 HA THR 5 7.011 -13.159 23.824 33 HB THR 5 HB THR 5 5.715 -15.828 23.191 34 HG1 THR 5 HG1 THR 5 4.947 -15.401 25.107 35 HG21 THR 5 3HG2 THR 5 8.477 -15.063 24.137 36 HG22 THR 5 1HG2 THR 5 8.035 -16.094 22.777 37 HG23 THR 5 2HG2 THR 5 7.802 -16.666 24.429 38 H CYS 6 H CYS 6 5.176 -13.703 20.983 39 HA CYS 6 HA CYS 6 5.764 -13.755 18.721 40 HB2 CYS 6 1HB CYS 6 8.521 -12.831 19.530 41 HB3 CYS 6 2HB CYS 6 7.629 -12.472 18.051 42 HG CYS 6 HG CYS 6 6.371 -10.658 19.216 43 H VAL 7 H VAL 7 6.089 -15.591 17.650 44 HA VAL 7 HA VAL 7 8.115 -17.537 18.645 45 HB VAL 7 HB VAL 7 5.957 -18.527 18.492 46 HG11 VAL 7 1HG1 VAL 7 5.781 -17.112 15.829 47 HG12 VAL 7 2HG1 VAL 7 4.686 -17.003 17.208 48 HG13 VAL 7 3HG1 VAL 7 4.723 -18.466 16.227 49 HG21 VAL 7 3HG2 VAL 7 6.295 -20.303 16.932 50 HG22 VAL 7 1HG2 VAL 7 7.907 -19.781 17.420 51 HG23 VAL 7 2HG2 VAL 7 7.251 -19.277 15.863 52 H GLU 8 H GLU 8 9.885 -17.981 17.512 53 HA GLU 8 HA GLU 8 10.616 -16.420 15.201 54 HB2 GLU 8 1HB GLU 8 12.661 -17.832 15.202 55 HB3 GLU 8 2HB GLU 8 12.303 -17.166 16.794 56 HG2 GLU 8 1HG GLU 8 11.222 -19.297 17.442 57 HG3 GLU 8 2HG GLU 8 11.599 -19.966 15.854 58 H ASN 9 H ASN 9 10.857 -17.033 13.084 59 HA ASN 9 HA ASN 9 10.049 -18.033 11.125 60 HB2 ASN 9 1HB ASN 9 10.701 -20.480 10.977 61 HB3 ASN 9 2HB ASN 9 12.003 -19.388 11.437 62 HD21 ASN 9 2HD2 ASN 9 9.533 -21.538 12.935 63 HD22 ASN 9 1HD2 ASN 9 10.495 -21.953 14.270 64 H GLU 10 H GLU 10 8.097 -17.622 13.147 65 HA GLU 10 HA GLU 10 5.965 -18.329 13.837 66 HB2 GLU 10 1HB GLU 10 6.070 -19.211 10.943 67 HB3 GLU 10 2HB GLU 10 4.593 -19.204 11.907 68 HG2 GLU 10 1HG GLU 10 4.822 -16.802 12.304 69 HG3 GLU 10 2HG GLU 10 6.350 -16.780 11.422 70 H VAL 11 H VAL 11 4.403 -20.484 13.176 71 HA VAL 11 HA VAL 11 5.682 -22.593 14.728 72 HB VAL 11 HB VAL 11 3.018 -22.583 13.272 73 HG11 VAL 11 1HG1 VAL 11 4.299 -24.394 15.322 74 HG12 VAL 11 2HG1 VAL 11 3.477 -24.828 13.824 75 HG13 VAL 11 3HG1 VAL 11 2.542 -24.265 15.208 76 HG21 VAL 11 3HG2 VAL 11 3.308 -20.725 14.936 77 HG22 VAL 11 1HG2 VAL 11 3.648 -21.936 16.173 78 HG23 VAL 11 2HG2 VAL 11 2.061 -21.879 15.407 79 H CYS 12 H CYS 12 5.910 -21.705 11.564 80 HA CYS 12 HA CYS 12 6.460 -22.820 9.567 81 HB2 CYS 12 1HB CYS 12 8.495 -23.143 10.957 82 HB3 CYS 12 2HB CYS 12 7.832 -24.665 11.550 83 HG CYS 12 HG CYS 12 8.457 -24.205 8.514 84 H GLU 13 H GLU 13 3.915 -23.499 10.534 85 HA GLU 13 HA GLU 13 3.450 -26.315 10.684 86 HB2 GLU 13 1HB GLU 13 1.837 -24.409 11.281 87 HB3 GLU 13 2HB GLU 13 1.489 -24.312 9.556 88 HG2 GLU 13 1HG GLU 13 1.254 -26.881 11.150 89 HG3 GLU 13 2HG GLU 13 -0.098 -25.782 10.882 90 H ALA 14 H ALA 14 3.074 -27.822 9.121 91 HA ALA 14 HA ALA 14 2.679 -27.099 6.314 92 HB1 ALA 14 3HB ALA 14 5.215 -26.947 6.792 93 HB2 ALA 14 1HB ALA 14 4.719 -27.973 5.443 94 HB3 ALA 14 2HB ALA 14 5.158 -28.697 6.990 95 H CYS 15 H CYS 15 2.161 -29.018 8.912 96 HA CYS 15 HA CYS 15 2.153 -31.681 7.805 97 HB2 CYS 15 1HB CYS 15 0.536 -30.446 10.057 98 HB3 CYS 15 2HB CYS 15 0.579 -32.172 9.701 99 HG CYS 15 HG CYS 15 3.360 -30.961 10.120 100 H GLY 16 H GLY 16 -0.265 -29.105 7.966 101 HA2 GLY 16 1HA GLY 16 -2.423 -30.669 6.842 102 HA3 GLY 16 2HA GLY 16 -2.390 -28.913 6.974 103 H CYS 17 H CYS 17 -3.095 -30.855 4.730 104 HA CYS 17 HA CYS 17 -1.425 -29.535 2.612 105 HB2 CYS 17 1HB CYS 17 -2.406 -32.401 2.681 106 HB3 CYS 17 2HB CYS 17 -1.613 -31.638 1.303 107 HG CYS 17 HG CYS 17 0.127 -31.316 3.736 108 H ALA 18 H ALA 18 -2.490 -29.158 0.645 109 HA ALA 18 HA ALA 18 -4.272 -28.466 -0.684 110 HB1 ALA 18 3HB ALA 18 -6.145 -29.932 -0.866 111 HB2 ALA 18 1HB ALA 18 -5.913 -30.546 0.772 112 HB3 ALA 18 2HB ALA 18 -4.756 -30.953 -0.496 113 H GLY 19 H GLY 19 -6.028 -27.032 -0.632 114 HA2 GLY 19 1HA GLY 19 -7.830 -26.569 1.457 115 HA3 GLY 19 2HA GLY 19 -6.401 -25.622 1.865 116 H GLU 20 H GLU 20 -7.868 -23.776 1.610 117 HA GLU 20 HA GLU 20 -9.249 -23.029 -0.708 118 HB2 GLU 20 1HB GLU 20 -8.864 -20.657 0.061 119 HB3 GLU 20 2HB GLU 20 -9.503 -21.735 1.299 120 HG2 GLU 20 1HG GLU 20 -7.763 -20.506 2.363 121 HG3 GLU 20 2HG GLU 20 -7.076 -22.094 2.040 122 H ILE 21 H ILE 21 -8.742 -21.916 -2.566 123 HA ILE 21 HA ILE 21 -6.149 -22.357 -3.719 124 HB ILE 21 HB ILE 21 -8.463 -20.593 -4.570 125 HG12 ILE 21 1HG1 ILE 21 -7.463 -23.231 -5.686 126 HG13 ILE 21 2HG1 ILE 21 -8.774 -23.101 -4.513 127 HG21 ILE 21 1HG2 ILE 21 -6.529 -19.649 -5.610 128 HG22 ILE 21 2HG2 ILE 21 -7.267 -20.686 -6.829 129 HG23 ILE 21 3HG2 ILE 21 -5.846 -21.239 -5.944 130 HD11 ILE 21 3HD1 ILE 21 -10.087 -21.753 -6.066 131 HD12 ILE 21 1HD1 ILE 21 -9.596 -23.245 -6.870 132 HD13 ILE 21 2HD1 ILE 21 -8.754 -21.735 -7.221 133 H GLY 22 H GLY 22 -7.713 -19.473 -2.358 134 HA2 GLY 22 1HA GLY 22 -6.654 -17.662 -1.273 135 HA3 GLY 22 2HA GLY 22 -5.089 -18.346 -1.705 136 H PHE 23 H PHE 23 -4.331 -16.351 -2.443 137 HA PHE 23 HA PHE 23 -5.712 -14.780 -4.443 138 HB2 PHE 23 1HB PHE 23 -2.820 -14.766 -3.535 139 HB3 PHE 23 2HB PHE 23 -3.523 -13.577 -4.631 140 HD1 PHE 23 HD2 PHE 23 -5.501 -12.189 -3.836 141 HD2 PHE 23 HD1 PHE 23 -3.127 -14.593 -1.183 142 HE1 PHE 23 HE2 PHE 23 -6.369 -10.908 -1.897 143 HE2 PHE 23 HE1 PHE 23 -3.995 -13.312 0.755 144 HZ PHE 23 HZ PHE 23 -5.616 -11.470 0.398 145 H ILE 24 H ILE 24 -5.156 -14.542 -6.638 146 HA ILE 24 HA ILE 24 -4.602 -16.961 -8.062 147 HB ILE 24 HB ILE 24 -4.558 -14.060 -8.940 148 HG12 ILE 24 1HG1 ILE 24 -6.616 -16.225 -9.454 149 HG13 ILE 24 2HG1 ILE 24 -6.728 -15.088 -8.111 150 HG21 ILE 24 1HG2 ILE 24 -3.253 -15.180 -10.569 151 HG22 ILE 24 2HG2 ILE 24 -4.877 -15.175 -11.255 152 HG23 ILE 24 3HG2 ILE 24 -4.246 -16.635 -10.490 153 HD11 ILE 24 3HD1 ILE 24 -8.036 -14.293 -10.051 154 HD12 ILE 24 1HD1 ILE 24 -6.580 -14.332 -11.046 155 HD13 ILE 24 2HD1 ILE 24 -6.698 -13.199 -9.699 156 H ILE 25 H ILE 25 -2.595 -14.129 -7.320 157 HA ILE 25 HA ILE 25 -0.281 -14.950 -8.787 158 HB ILE 25 HB ILE 25 -0.378 -13.294 -6.248 159 HG12 ILE 25 1HG1 ILE 25 -0.481 -12.336 -9.124 160 HG13 ILE 25 2HG1 ILE 25 -1.917 -12.528 -8.120 161 HG21 ILE 25 1HG2 ILE 25 1.628 -13.508 -8.510 162 HG22 ILE 25 2HG2 ILE 25 1.879 -13.969 -6.826 163 HG23 ILE 25 3HG2 ILE 25 1.680 -12.270 -7.253 164 HD11 ILE 25 3HD1 ILE 25 -0.942 -10.956 -6.460 165 HD12 ILE 25 1HD1 ILE 25 -1.145 -10.201 -8.041 166 HD13 ILE 25 2HD1 ILE 25 0.453 -10.732 -7.515 167 H ARG 26 H ARG 26 -1.266 -15.524 -5.426 168 HA ARG 26 HA ARG 26 -0.538 -17.067 -3.861 169 HB2 ARG 26 1HB ARG 26 -1.017 -18.585 -5.862 170 HB3 ARG 26 2HB ARG 26 0.719 -18.564 -6.170 171 HG2 ARG 26 1HG ARG 26 1.166 -19.453 -3.947 172 HG3 ARG 26 2HG ARG 26 -0.549 -19.383 -3.546 173 HD2 ARG 26 1HD ARG 26 0.723 -21.101 -5.695 174 HD3 ARG 26 2HD ARG 26 0.026 -21.646 -4.174 175 HE ARG 26 HE ARG 26 -2.033 -20.260 -5.453 176 HH11 ARG 26 1HH2 ARG 26 0.023 -22.969 -6.105 177 HH12 ARG 26 2HH2 ARG 26 -1.151 -23.775 -7.091 178 HH21 ARG 26 1HH1 ARG 26 -3.553 -21.307 -6.730 179 HH22 ARG 26 2HH1 ARG 26 -3.169 -22.838 -7.443 180 H GLU 27 H GLU 27 0.930 -14.984 -3.678 181 HA GLU 27 HA GLU 27 3.068 -14.043 -3.358 182 HB2 GLU 27 1HB GLU 27 2.692 -15.497 -1.384 183 HB3 GLU 27 2HB GLU 27 3.505 -16.820 -2.220 184 HG2 GLU 27 1HG GLU 27 5.558 -15.473 -2.380 185 HG3 GLU 27 2HG GLU 27 4.745 -14.127 -1.581 186 H GLY 28 H GLY 28 3.901 -13.751 -5.417 187 HA2 GLY 28 1HA GLY 28 5.252 -15.957 -6.819 188 HA3 GLY 28 2HA GLY 28 5.105 -14.296 -7.396 189 H ASP 29 H ASP 29 6.451 -15.655 -4.394 190 HA ASP 29 HA ASP 29 8.449 -15.072 -3.284 191 HB2 ASP 29 1HB ASP 29 10.475 -15.537 -4.760 192 HB3 ASP 29 2HB ASP 29 9.295 -16.841 -4.653 193 H ASP 30 H ASP 30 6.996 -12.862 -4.765 194 HA ASP 30 HA ASP 30 9.054 -10.837 -4.337 195 HB2 ASP 30 1HB ASP 30 8.941 -9.879 -6.607 196 HB3 ASP 30 2HB ASP 30 9.568 -11.525 -6.651 197 H VAL 31 H VAL 31 6.631 -11.318 -3.044 198 HA VAL 31 HA VAL 31 4.941 -8.999 -3.952 199 HB VAL 31 HB VAL 31 4.105 -11.631 -2.713 200 HG11 VAL 31 1HG1 VAL 31 2.636 -9.000 -2.980 201 HG12 VAL 31 2HG1 VAL 31 2.785 -10.028 -1.556 202 HG13 VAL 31 3HG1 VAL 31 1.767 -10.534 -2.905 203 HG21 VAL 31 3HG2 VAL 31 3.235 -10.196 -5.241 204 HG22 VAL 31 1HG2 VAL 31 2.764 -11.820 -4.739 205 HG23 VAL 31 2HG2 VAL 31 4.435 -11.487 -5.196 206 H ALA 32 H ALA 32 4.523 -7.473 -2.464 207 HA ALA 32 HA ALA 32 5.517 -7.906 0.334 208 HB1 ALA 32 3HB ALA 32 6.157 -5.637 0.407 209 HB2 ALA 32 1HB ALA 32 5.137 -5.212 -0.967 210 HB3 ALA 32 2HB ALA 32 6.612 -6.142 -1.222 211 H GLU 33 H GLU 33 4.260 -7.060 2.034 212 HA GLU 33 HA GLU 33 1.368 -6.678 1.356 213 HB2 GLU 33 1HB GLU 33 1.941 -8.647 2.762 214 HB3 GLU 33 2HB GLU 33 2.612 -7.549 3.971 215 HG2 GLU 33 1HG GLU 33 0.442 -6.457 4.236 216 HG3 GLU 33 2HG GLU 33 -0.244 -7.462 2.960 217 H VAL 34 H VAL 34 0.235 -4.975 2.252 218 HA VAL 34 HA VAL 34 1.832 -2.901 3.730 219 HB VAL 34 HB VAL 34 -0.226 -2.555 1.531 220 HG11 VAL 34 1HG1 VAL 34 0.283 -0.065 1.957 221 HG12 VAL 34 2HG1 VAL 34 0.925 -0.584 3.516 222 HG13 VAL 34 3HG1 VAL 34 -0.770 -0.869 3.123 223 HG21 VAL 34 3HG2 VAL 34 2.654 -1.635 1.818 224 HG22 VAL 34 1HG2 VAL 34 1.616 -1.356 0.421 225 HG23 VAL 34 2HG2 VAL 34 2.117 -2.996 0.833 226 H SER 35 H SER 35 0.932 -2.237 5.588 227 HA SER 35 HA SER 35 -1.861 -3.120 6.239 228 HB2 SER 35 1HB SER 35 0.520 -2.485 7.998 229 HB3 SER 35 2HB SER 35 -1.106 -2.751 8.621 230 HG SER 35 HG SER 35 -1.039 -4.803 7.540 231 H LEU 36 H LEU 36 -3.334 -1.540 6.249 232 HA LEU 36 HA LEU 36 -2.451 1.254 6.870 233 HB2 LEU 36 1HB LEU 36 -3.092 0.948 4.474 234 HB3 LEU 36 2HB LEU 36 -4.695 0.435 5.004 235 HG LEU 36 HG LEU 36 -4.981 2.623 6.167 236 HD11 LEU 36 1HD1 LEU 36 -2.890 3.490 6.691 237 HD12 LEU 36 2HD1 LEU 36 -3.238 4.415 5.235 238 HD13 LEU 36 3HD1 LEU 36 -2.178 3.006 5.151 239 HD21 LEU 36 3HD2 LEU 36 -5.382 3.928 4.171 240 HD22 LEU 36 1HD2 LEU 36 -5.739 2.240 3.804 241 HD23 LEU 36 2HD2 LEU 36 -4.227 2.963 3.252 242 H PHE 37 H PHE 37 -3.568 2.299 8.404 243 HA PHE 37 HA PHE 37 -5.921 0.911 9.639 244 HB2 PHE 37 1HB PHE 37 -3.998 1.039 11.134 245 HB3 PHE 37 2HB PHE 37 -3.884 2.780 10.869 246 HD1 PHE 37 HD2 PHE 37 -6.259 0.130 12.027 247 HD2 PHE 37 HD1 PHE 37 -5.095 4.260 12.249 248 HE1 PHE 37 HE2 PHE 37 -7.923 0.502 13.827 249 HE2 PHE 37 HE1 PHE 37 -6.761 4.632 14.048 250 HZ PHE 37 HZ PHE 37 -8.174 2.754 14.837 251 H GLY 38 H GLY 38 -7.789 2.048 9.881 252 HA2 GLY 38 1HA GLY 38 -7.916 4.940 9.811 253 HA3 GLY 38 2HA GLY 38 -8.423 4.242 8.276 254 H SER 39 H SER 39 -10.449 5.390 9.057 255 HA SER 39 HA SER 39 -11.999 4.062 11.160 256 HB2 SER 39 1HB SER 39 -13.797 5.650 10.373 257 HB3 SER 39 2HB SER 39 -12.303 6.445 10.859 258 HG SER 39 HG SER 39 -12.158 7.175 8.900 259 H ASP 40 H ASP 40 -13.951 4.880 8.528 260 HA ASP 40 HA ASP 40 -14.749 2.087 8.165 261 HB2 ASP 40 1HB ASP 40 -15.710 4.691 6.973 262 HB3 ASP 40 2HB ASP 40 -16.368 3.128 6.489 263 H LYS 41 H LYS 41 -15.207 1.420 5.787 264 HA LYS 41 HA LYS 41 -12.709 1.052 4.451 265 HB2 LYS 41 1HB LYS 41 -14.717 -0.436 4.228 266 HB3 LYS 41 2HB LYS 41 -15.490 0.824 3.266 267 HG2 LYS 41 1HG LYS 41 -13.730 0.699 1.596 268 HG3 LYS 41 2HG LYS 41 -12.831 -0.455 2.577 269 HD2 LYS 41 1HD LYS 41 -14.715 -2.061 2.389 270 HD3 LYS 41 2HD LYS 41 -15.577 -0.908 1.370 271 HE2 LYS 41 1HE LYS 41 -13.761 -0.988 -0.286 272 HE3 LYS 41 2HE LYS 41 -12.864 -2.108 0.737 273 HZ1 LYS 41 3HZ LYS 41 -14.033 -3.340 -0.924 274 HZ2 LYS 41 1HZ LYS 41 -15.503 -2.586 -0.535 275 HZ3 LYS 41 2HZ LYS 41 -14.770 -3.641 0.576 276 H ALA 42 H ALA 42 -15.410 3.261 3.817 277 HA ALA 42 HA ALA 42 -14.558 4.381 1.378 278 HB1 ALA 42 3HB ALA 42 -15.934 5.693 3.739 279 HB2 ALA 42 1HB ALA 42 -16.718 4.950 2.347 280 HB3 ALA 42 2HB ALA 42 -15.792 6.438 2.148 281 H HIS 43 H HIS 43 -13.701 5.376 4.686 282 HA HIS 43 HA HIS 43 -11.956 7.526 3.899 283 HB2 HIS 43 1HB HIS 43 -12.913 7.259 6.186 284 HB3 HIS 43 2HB HIS 43 -11.887 5.844 6.421 285 HD1 HIS 43 HD1 HIS 43 -11.564 9.552 5.642 286 HD2 HIS 43 HD2 HIS 43 -9.319 6.452 7.293 287 HE1 HIS 43 HE1 HIS 43 -9.430 10.599 6.511 288 H LEU 44 H LEU 44 -11.382 4.114 4.686 289 HA LEU 44 HA LEU 44 -8.526 4.170 4.479 290 HB2 LEU 44 1HB LEU 44 -10.566 1.973 4.076 291 HB3 LEU 44 2HB LEU 44 -8.832 1.675 3.999 292 HG LEU 44 HG LEU 44 -10.064 3.062 6.387 293 HD11 LEU 44 1HD1 LEU 44 -11.308 1.033 6.332 294 HD12 LEU 44 2HD1 LEU 44 -9.983 0.723 7.452 295 HD13 LEU 44 3HD1 LEU 44 -9.911 0.099 5.805 296 HD21 LEU 44 3HD2 LEU 44 -7.512 1.502 5.856 297 HD22 LEU 44 1HD2 LEU 44 -8.062 1.892 7.482 298 HD23 LEU 44 2HD2 LEU 44 -7.662 3.185 6.356 299 H GLU 45 H GLU 45 -11.058 3.550 2.091 300 HA GLU 45 HA GLU 45 -9.346 2.841 -0.080 301 HB2 GLU 45 1HB GLU 45 -12.096 4.103 0.019 302 HB3 GLU 45 2HB GLU 45 -11.322 3.638 -1.495 303 HG2 GLU 45 1HG GLU 45 -11.780 1.735 0.820 304 HG3 GLU 45 2HG GLU 45 -12.874 1.887 -0.556 305 H GLY 46 H GLY 46 -10.511 5.966 1.095 306 HA2 GLY 46 1HA GLY 46 -9.598 7.604 -1.047 307 HA3 GLY 46 2HA GLY 46 -9.788 8.145 0.620 308 H LYS 47 H LYS 47 -7.976 6.836 2.033 309 HA LYS 47 HA LYS 47 -5.464 8.041 1.302 310 HB2 LYS 47 1HB LYS 47 -6.243 5.990 3.383 311 HB3 LYS 47 2HB LYS 47 -4.585 6.566 3.208 312 HG2 LYS 47 1HG LYS 47 -5.365 8.891 3.545 313 HG3 LYS 47 2HG LYS 47 -7.017 8.304 3.739 314 HD2 LYS 47 1HD LYS 47 -6.398 7.047 5.724 315 HD3 LYS 47 2HD LYS 47 -4.694 7.443 5.489 316 HE2 LYS 47 1HE LYS 47 -5.937 8.861 7.213 317 HE3 LYS 47 2HE LYS 47 -5.065 9.754 5.967 318 HZ1 LYS 47 3HZ LYS 47 -7.765 9.067 5.244 319 HZ2 LYS 47 1HZ LYS 47 -6.951 10.550 5.116 320 HZ3 LYS 47 2HZ LYS 47 -7.663 10.100 6.590 321 H LEU 48 H LEU 48 -6.773 4.780 1.017 322 HA LEU 48 HA LEU 48 -4.478 3.334 0.323 323 HB2 LEU 48 1HB LEU 48 -6.776 2.364 0.586 324 HB3 LEU 48 2HB LEU 48 -7.204 3.059 -0.976 325 HG LEU 48 HG LEU 48 -5.379 1.747 -2.040 326 HD11 LEU 48 1HD1 LEU 48 -3.747 1.277 -0.463 327 HD12 LEU 48 2HD1 LEU 48 -4.616 -0.253 -0.439 328 HD13 LEU 48 3HD1 LEU 48 -4.913 0.951 0.818 329 HD21 LEU 48 3HD2 LEU 48 -7.158 -0.093 -0.425 330 HD22 LEU 48 1HD2 LEU 48 -6.558 -0.323 -2.067 331 HD23 LEU 48 2HD2 LEU 48 -7.783 0.903 -1.741 332 H ALA 49 H ALA 49 -6.378 5.549 -1.628 333 HA ALA 49 HA ALA 49 -5.357 4.965 -4.202 334 HB1 ALA 49 3HB ALA 49 -7.199 6.631 -3.521 335 HB2 ALA 49 1HB ALA 49 -6.129 7.135 -4.830 336 HB3 ALA 49 2HB ALA 49 -5.893 7.768 -3.201 337 H GLU 50 H GLU 50 -3.965 6.833 -1.559 338 HA GLU 50 HA GLU 50 -1.788 8.002 -3.033 339 HB2 GLU 50 1HB GLU 50 -2.055 7.291 -0.095 340 HB3 GLU 50 2HB GLU 50 -0.766 8.293 -0.761 341 HG2 GLU 50 1HG GLU 50 -3.725 8.917 -0.999 342 HG3 GLU 50 2HG GLU 50 -2.645 9.637 0.196 343 H TYR 51 H TYR 51 -2.069 5.010 -1.133 344 HA TYR 51 HA TYR 51 0.662 4.178 -1.393 345 HB2 TYR 51 1HB TYR 51 -1.891 2.594 -1.006 346 HB3 TYR 51 2HB TYR 51 -0.278 1.890 -0.894 347 HD1 TYR 51 HD2 TYR 51 -2.493 4.519 0.550 348 HD2 TYR 51 HD1 TYR 51 1.011 2.108 1.086 349 HE1 TYR 51 HE2 TYR 51 -2.324 5.297 2.898 350 HE2 TYR 51 HE1 TYR 51 1.191 2.892 3.433 351 HH TYR 51 HH TYR 51 0.442 4.889 4.765 352 H ILE 52 H ILE 52 -2.225 3.441 -3.334 353 HA ILE 52 HA ILE 52 -0.916 1.684 -5.186 354 HB ILE 52 HB ILE 52 -3.398 3.402 -5.459 355 HG12 ILE 52 1HG1 ILE 52 -3.126 0.406 -5.088 356 HG13 ILE 52 2HG1 ILE 52 -3.341 1.526 -3.744 357 HG21 ILE 52 1HG2 ILE 52 -2.182 1.337 -7.303 358 HG22 ILE 52 2HG2 ILE 52 -2.694 2.978 -7.694 359 HG23 ILE 52 3HG2 ILE 52 -3.899 1.737 -7.351 360 HD11 ILE 52 3HD1 ILE 52 -5.462 2.305 -4.692 361 HD12 ILE 52 1HD1 ILE 52 -5.501 0.552 -4.502 362 HD13 ILE 52 2HD1 ILE 52 -5.239 1.260 -6.096 363 H SER 53 H SER 53 -1.580 5.168 -5.268 364 HA SER 53 HA SER 53 -0.526 5.676 -7.875 365 HB2 SER 53 1HB SER 53 -0.604 7.490 -5.447 366 HB3 SER 53 2HB SER 53 -0.320 8.023 -7.101 367 HG SER 53 HG SER 53 -2.643 7.452 -5.842 368 H LEU 54 H LEU 54 1.013 5.640 -4.683 369 HA LEU 54 HA LEU 54 3.584 6.544 -5.538 370 HB2 LEU 54 1HB LEU 54 2.974 6.483 -3.161 371 HB3 LEU 54 2HB LEU 54 2.815 4.730 -3.228 372 HG LEU 54 HG LEU 54 5.203 4.492 -3.716 373 HD11 LEU 54 1HD1 LEU 54 6.578 6.711 -3.442 374 HD12 LEU 54 2HD1 LEU 54 5.063 7.499 -3.880 375 HD13 LEU 54 3HD1 LEU 54 5.820 6.361 -4.993 376 HD21 LEU 54 3HD2 LEU 54 6.027 5.017 -1.570 377 HD22 LEU 54 1HD2 LEU 54 4.291 4.852 -1.316 378 HD23 LEU 54 2HD2 LEU 54 5.019 6.456 -1.429 379 H ALA 55 H ALA 55 2.168 3.314 -5.276 380 HA ALA 55 HA ALA 55 4.494 1.790 -5.879 381 HB1 ALA 55 3HB ALA 55 1.695 1.085 -6.784 382 HB2 ALA 55 1HB ALA 55 2.191 0.959 -5.099 383 HB3 ALA 55 2HB ALA 55 2.994 -0.018 -6.329 384 H LYS 56 H LYS 56 2.076 3.290 -7.983 385 HA LYS 56 HA LYS 56 3.096 2.259 -10.463 386 HB2 LYS 56 1HB LYS 56 1.517 4.761 -9.806 387 HB3 LYS 56 2HB LYS 56 1.873 4.246 -11.453 388 HG2 LYS 56 1HG LYS 56 0.728 2.097 -11.023 389 HG3 LYS 56 2HG LYS 56 0.360 2.627 -9.381 390 HD2 LYS 56 1HD LYS 56 -0.936 4.524 -10.271 391 HD3 LYS 56 2HD LYS 56 -0.557 4.016 -11.917 392 HE2 LYS 56 1HE LYS 56 -1.713 1.874 -11.530 393 HE3 LYS 56 2HE LYS 56 -2.084 2.368 -9.878 394 HZ1 LYS 56 3HZ LYS 56 -3.023 4.450 -11.227 395 HZ2 LYS 56 1HZ LYS 56 -3.967 3.093 -10.847 396 HZ3 LYS 56 2HZ LYS 56 -3.267 3.234 -12.388 397 H GLN 57 H GLN 57 3.762 5.222 -8.630 398 HA GLN 57 HA GLN 57 5.504 6.417 -10.567 399 HB2 GLN 57 1HB GLN 57 4.491 7.619 -8.609 400 HB3 GLN 57 2HB GLN 57 5.583 6.726 -7.552 401 HG2 GLN 57 1HG GLN 57 6.548 8.916 -8.021 402 HG3 GLN 57 2HG GLN 57 7.523 7.679 -8.813 403 HE21 GLN 57 2HE2 GLN 57 8.247 8.889 -10.632 404 HE22 GLN 57 1HE2 GLN 57 7.194 9.543 -11.791 405 H VAL 58 H VAL 58 6.181 4.389 -7.716 406 HA VAL 58 HA VAL 58 9.036 4.376 -8.052 407 HB VAL 58 HB VAL 58 7.197 2.352 -6.735 408 HG11 VAL 58 1HG1 VAL 58 9.345 1.735 -5.511 409 HG12 VAL 58 2HG1 VAL 58 10.209 2.660 -6.740 410 HG13 VAL 58 3HG1 VAL 58 9.270 1.239 -7.201 411 HG21 VAL 58 3HG2 VAL 58 8.966 4.451 -5.455 412 HG22 VAL 58 1HG2 VAL 58 7.699 3.492 -4.688 413 HG23 VAL 58 2HG2 VAL 58 7.274 4.747 -5.850 414 H TYR 59 H TYR 59 6.475 2.166 -9.141 415 HA TYR 59 HA TYR 59 8.338 1.158 -11.243 416 HB2 TYR 59 1HB TYR 59 8.436 -0.507 -9.476 417 HB3 TYR 59 2HB TYR 59 6.677 -0.552 -9.369 418 HD1 TYR 59 HD1 TYR 59 9.293 -0.784 -12.067 419 HD2 TYR 59 HD2 TYR 59 5.675 -2.389 -10.403 420 HE1 TYR 59 HE1 TYR 59 9.246 -2.510 -13.837 421 HE2 TYR 59 HE2 TYR 59 5.627 -4.121 -12.179 422 HH TYR 59 HH TYR 59 6.568 -4.843 -14.067 423 H ALA 60 H ALA 60 7.384 1.542 -13.122 424 HA ALA 60 HA ALA 60 4.589 2.187 -13.395 425 HB1 ALA 60 3HB ALA 60 6.780 1.621 -15.393 426 HB2 ALA 60 1HB ALA 60 6.082 3.180 -14.961 427 HB3 ALA 60 2HB ALA 60 5.134 2.016 -15.887 428 H ASN 61 H ASN 61 2.949 1.013 -14.403 429 HA ASN 61 HA ASN 61 1.686 -0.888 -14.887 430 HB2 ASN 61 1HB ASN 61 3.506 -1.006 -16.685 431 HB3 ASN 61 2HB ASN 61 4.297 -2.207 -15.664 432 HD21 ASN 61 2HD2 ASN 61 1.150 -1.537 -17.283 433 HD22 ASN 61 1HD2 ASN 61 0.739 -3.171 -17.488 434 H VAL 62 H VAL 62 2.570 -0.533 -12.226 435 HA VAL 62 HA VAL 62 3.590 -3.044 -11.163 436 HB VAL 62 HB VAL 62 3.949 -0.853 -10.031 437 HG11 VAL 62 1HG1 VAL 62 1.042 -1.040 -9.215 438 HG12 VAL 62 2HG1 VAL 62 1.582 -0.044 -10.567 439 HG13 VAL 62 3HG1 VAL 62 2.166 0.290 -8.937 440 HG21 VAL 62 3HG2 VAL 62 3.699 -1.704 -7.820 441 HG22 VAL 62 1HG2 VAL 62 3.904 -3.130 -8.838 442 HG23 VAL 62 2HG2 VAL 62 2.297 -2.676 -8.270 443 H GLU 63 H GLU 63 2.467 -4.722 -10.288 444 HA GLU 63 HA GLU 63 -0.509 -4.688 -10.628 445 HB2 GLU 63 1HB GLU 63 1.490 -6.962 -10.515 446 HB3 GLU 63 2HB GLU 63 -0.259 -7.196 -10.543 447 HG2 GLU 63 1HG GLU 63 -0.411 -6.004 -12.678 448 HG3 GLU 63 2HG GLU 63 1.323 -5.690 -12.647 449 H TYR 64 H TYR 64 -1.797 -4.985 -8.895 450 HA TYR 64 HA TYR 64 -0.709 -6.008 -6.343 451 HB2 TYR 64 1HB TYR 64 -1.523 -4.033 -5.088 452 HB3 TYR 64 2HB TYR 64 -0.239 -3.604 -6.216 453 HD1 TYR 64 HD1 TYR 64 -0.730 -2.382 -8.294 454 HD2 TYR 64 HD2 TYR 64 -3.822 -3.320 -5.463 455 HE1 TYR 64 HE1 TYR 64 -2.237 -0.753 -9.401 456 HE2 TYR 64 HE2 TYR 64 -5.329 -1.691 -6.571 457 HH TYR 64 HH TYR 64 -4.181 0.493 -9.039 458 H GLU 65 H GLU 65 -2.472 -6.326 -4.752 459 HA GLU 65 HA GLU 65 -5.212 -6.398 -5.934 460 HB2 GLU 65 1HB GLU 65 -3.774 -8.734 -4.642 461 HB3 GLU 65 2HB GLU 65 -5.501 -8.708 -5.003 462 HG2 GLU 65 1HG GLU 65 -3.303 -8.334 -7.060 463 HG3 GLU 65 2HG GLU 65 -4.171 -9.843 -6.782 464 H VAL 66 H VAL 66 -6.870 -6.412 -4.378 465 HA VAL 66 HA VAL 66 -6.007 -5.569 -1.626 466 HB VAL 66 HB VAL 66 -8.425 -4.823 -3.293 467 HG11 VAL 66 1HG1 VAL 66 -8.924 -3.342 -1.258 468 HG12 VAL 66 2HG1 VAL 66 -7.795 -4.368 -0.371 469 HG13 VAL 66 3HG1 VAL 66 -9.257 -5.064 -1.069 470 HG21 VAL 66 3HG2 VAL 66 -6.256 -3.119 -2.032 471 HG22 VAL 66 1HG2 VAL 66 -7.517 -2.575 -3.139 472 HG23 VAL 66 2HG2 VAL 66 -6.238 -3.646 -3.715 473 H ALA 67 H ALA 67 -6.641 -6.822 0.006 474 HA ALA 67 HA ALA 67 -8.143 -9.237 -0.522 475 HB1 ALA 67 3HB ALA 67 -7.681 -8.471 2.316 476 HB2 ALA 67 1HB ALA 67 -6.233 -8.549 1.315 477 HB3 ALA 67 2HB ALA 67 -7.265 -9.967 1.476 478 HA PRO 68 HA PRO 68 -12.252 -8.116 0.624 479 HB2 PRO 68 1HB PRO 68 -12.296 -10.033 2.911 480 HB3 PRO 68 2HB PRO 68 -13.325 -9.978 1.466 481 HG2 PRO 68 1HG PRO 68 -11.419 -11.838 1.771 482 HG3 PRO 68 2HG PRO 68 -11.819 -11.156 0.185 483 HD2 PRO 68 1HD PRO 68 -9.471 -10.569 1.954 484 HD3 PRO 68 2HD PRO 68 -9.565 -10.674 0.183 485 H VAL 69 H VAL 69 -13.314 -6.647 1.933 486 HA VAL 69 HA VAL 69 -11.971 -5.868 4.508 487 HB VAL 69 HB VAL 69 -13.428 -4.073 2.549 488 HG11 VAL 69 1HG1 VAL 69 -13.572 -3.329 4.887 489 HG12 VAL 69 2HG1 VAL 69 -12.489 -2.278 3.976 490 HG13 VAL 69 3HG1 VAL 69 -11.825 -3.503 5.055 491 HG21 VAL 69 3HG2 VAL 69 -10.463 -4.332 3.155 492 HG22 VAL 69 1HG2 VAL 69 -11.193 -3.188 2.030 493 HG23 VAL 69 2HG2 VAL 69 -11.246 -4.916 1.687 494 H ALA 70 H ALA 70 -13.247 -5.838 6.256 495 HA ALA 70 HA ALA 70 -15.994 -6.780 6.088 496 HB1 ALA 70 3HB ALA 70 -15.917 -6.893 8.432 497 HB2 ALA 70 1HB ALA 70 -14.774 -5.556 8.556 498 HB3 ALA 70 2HB ALA 70 -14.229 -7.130 7.982 499 H ASP 71 H ASP 71 -15.372 -4.243 4.773 500 HA ASP 71 HA ASP 71 -16.302 -2.126 4.466 501 HB2 ASP 71 1HB ASP 71 -18.361 -3.609 4.584 502 HB3 ASP 71 2HB ASP 71 -18.513 -3.115 6.270 503 H ASN 72 H ASN 72 -17.436 -2.828 7.758 504 HA ASN 72 HA ASN 72 -16.675 -0.180 8.688 505 HB2 ASN 72 1HB ASN 72 -18.616 -1.546 9.558 506 HB3 ASN 72 2HB ASN 72 -17.440 -2.606 10.334 507 HD21 ASN 72 2HD2 ASN 72 -17.875 -2.013 12.544 508 HD22 ASN 72 1HD2 ASN 72 -17.621 -0.445 13.141 509 H ALA 73 H ALA 73 -14.883 -2.888 8.033 510 HA ALA 73 HA ALA 73 -13.162 -3.403 10.148 511 HB1 ALA 73 3HB ALA 73 -12.702 -4.569 8.153 512 HB2 ALA 73 1HB ALA 73 -11.314 -3.493 8.309 513 HB3 ALA 73 2HB ALA 73 -12.626 -3.090 7.201 514 H THR 74 H THR 74 -11.333 -2.429 11.043 515 HA THR 74 HA THR 74 -11.159 0.521 10.683 516 HB THR 74 HB THR 74 -10.217 0.595 12.839 517 HG1 THR 74 HG1 THR 74 -8.809 -1.347 12.092 518 HG21 THR 74 3HG2 THR 74 -11.679 -0.692 14.241 519 HG22 THR 74 1HG2 THR 74 -11.902 -1.913 12.990 520 HG23 THR 74 2HG2 THR 74 -12.587 -0.301 12.781 521 H GLU 75 H GLU 75 -9.758 -2.160 9.378 522 HA GLU 75 HA GLU 75 -7.318 -0.628 8.664 523 HB2 GLU 75 1HB GLU 75 -5.861 -2.584 9.063 524 HB3 GLU 75 2HB GLU 75 -6.607 -2.028 10.560 525 HG2 GLU 75 1HG GLU 75 -8.350 -3.775 10.332 526 HG3 GLU 75 2HG GLU 75 -7.583 -4.343 8.850 527 H LEU 76 H LEU 76 -6.288 -1.423 6.753 528 HA LEU 76 HA LEU 76 -8.011 -3.226 5.085 529 HB2 LEU 76 1HB LEU 76 -8.246 -0.821 4.472 530 HB3 LEU 76 2HB LEU 76 -6.517 -0.763 4.146 531 HG LEU 76 HG LEU 76 -7.954 -2.997 2.778 532 HD11 LEU 76 1HD1 LEU 76 -9.681 -1.336 2.522 533 HD12 LEU 76 2HD1 LEU 76 -8.815 -1.463 0.992 534 HD13 LEU 76 3HD1 LEU 76 -8.501 -0.106 2.074 535 HD21 LEU 76 3HD2 LEU 76 -5.549 -2.368 2.407 536 HD22 LEU 76 1HD2 LEU 76 -6.099 -0.836 1.731 537 HD23 LEU 76 2HD2 LEU 76 -6.510 -2.351 0.930 538 H HIS 77 H HIS 77 -6.937 -4.830 4.106 539 HA HIS 77 HA HIS 77 -3.953 -4.904 4.355 540 HB2 HIS 77 1HB HIS 77 -6.022 -7.094 4.030 541 HB3 HIS 77 2HB HIS 77 -4.280 -7.375 3.992 542 HD1 HIS 77 HD1 HIS 77 -7.104 -6.618 6.315 543 HD2 HIS 77 HD2 HIS 77 -2.951 -6.938 6.509 544 HE1 HIS 77 HE1 HIS 77 -6.505 -6.710 8.775 545 H ALA 78 H ALA 78 -2.757 -4.801 2.541 546 HA ALA 78 HA ALA 78 -3.988 -5.561 -0.075 547 HB1 ALA 78 3HB ALA 78 -2.492 -2.970 0.411 548 HB2 ALA 78 1HB ALA 78 -4.236 -3.101 0.190 549 HB3 ALA 78 2HB ALA 78 -3.146 -3.523 -1.130 550 H ARG 79 H ARG 79 -2.423 -6.032 -1.701 551 HA ARG 79 HA ARG 79 0.359 -6.506 -0.698 552 HB2 ARG 79 1HB ARG 79 -1.421 -8.346 -2.300 553 HB3 ARG 79 2HB ARG 79 0.318 -8.588 -2.131 554 HG2 ARG 79 1HG ARG 79 0.071 -8.687 0.319 555 HG3 ARG 79 2HG ARG 79 -1.668 -8.434 0.157 556 HD2 ARG 79 1HD ARG 79 -1.854 -10.517 -1.152 557 HD3 ARG 79 2HD ARG 79 -0.115 -10.772 -0.998 558 HE ARG 79 HE ARG 79 -1.418 -10.476 1.586 559 HH11 ARG 79 1HH2 ARG 79 -0.674 -12.626 -1.020 560 HH12 ARG 79 2HH2 ARG 79 -0.755 -14.046 -0.032 561 HH21 ARG 79 1HH1 ARG 79 -1.522 -12.318 2.869 562 HH22 ARG 79 2HH1 ARG 79 -1.235 -13.873 2.163 563 H PHE 80 H PHE 80 1.996 -6.242 -2.212 564 HA PHE 80 HA PHE 80 1.192 -5.155 -4.896 565 HB2 PHE 80 1HB PHE 80 3.295 -4.125 -2.975 566 HB3 PHE 80 2HB PHE 80 3.196 -3.636 -4.667 567 HD1 PHE 80 HD2 PHE 80 1.468 -3.564 -1.396 568 HD2 PHE 80 HD1 PHE 80 1.445 -2.190 -5.464 569 HE1 PHE 80 HE2 PHE 80 -0.291 -1.910 -0.827 570 HE2 PHE 80 HE1 PHE 80 -0.319 -0.546 -4.899 571 HZ PHE 80 HZ PHE 80 -1.184 -0.399 -2.580 572 H LYS 81 H LYS 81 2.576 -5.669 -6.588 573 HA LYS 81 HA LYS 81 4.575 -7.835 -6.020 574 HB2 LYS 81 1HB LYS 81 2.646 -8.525 -7.409 575 HB3 LYS 81 2HB LYS 81 3.029 -7.248 -8.564 576 HG2 LYS 81 1HG LYS 81 5.225 -8.264 -8.991 577 HG3 LYS 81 2HG LYS 81 4.891 -9.515 -7.792 578 HD2 LYS 81 1HD LYS 81 2.960 -10.277 -9.130 579 HD3 LYS 81 2HD LYS 81 3.309 -9.035 -10.334 580 HE2 LYS 81 1HE LYS 81 4.259 -11.183 -11.046 581 HE3 LYS 81 2HE LYS 81 5.552 -10.038 -10.693 582 HZ1 LYS 81 3HZ LYS 81 5.821 -11.031 -8.526 583 HZ2 LYS 81 1HZ LYS 81 5.966 -12.225 -9.722 584 HZ3 LYS 81 2HZ LYS 81 4.535 -12.102 -8.815 585 H PHE 82 H PHE 82 6.634 -7.358 -6.418 586 HA PHE 82 HA PHE 82 7.287 -5.044 -8.219 587 HB2 PHE 82 1HB PHE 82 8.705 -5.931 -5.691 588 HB3 PHE 82 2HB PHE 82 9.234 -4.631 -6.760 589 HD1 PHE 82 HD2 PHE 82 7.448 -2.781 -7.298 590 HD2 PHE 82 HD1 PHE 82 7.252 -5.417 -3.911 591 HE1 PHE 82 HE2 PHE 82 5.921 -1.198 -6.155 592 HE2 PHE 82 HE1 PHE 82 5.725 -3.832 -2.769 593 HZ PHE 82 HZ PHE 82 5.059 -1.723 -3.892 594 H GLU 83 H GLU 83 8.995 -5.314 -9.588 595 HA GLU 83 HA GLU 83 9.636 -7.999 -10.422 596 HB2 GLU 83 1HB GLU 83 11.187 -5.527 -11.203 597 HB3 GLU 83 2HB GLU 83 10.893 -6.977 -12.161 598 HG2 GLU 83 1HG GLU 83 8.799 -4.959 -11.314 599 HG3 GLU 83 2HG GLU 83 9.500 -5.102 -12.921 600 H VAL 84 H VAL 84 11.260 -5.593 -8.423 601 HA VAL 84 HA VAL 84 13.357 -7.648 -7.795 602 HB VAL 84 HB VAL 84 15.080 -6.017 -7.840 603 HG11 VAL 84 1HG1 VAL 84 14.277 -6.785 -10.075 604 HG12 VAL 84 2HG1 VAL 84 14.990 -5.173 -10.126 605 HG13 VAL 84 3HG1 VAL 84 13.237 -5.362 -10.162 606 HG21 VAL 84 3HG2 VAL 84 14.459 -3.572 -8.381 607 HG22 VAL 84 1HG2 VAL 84 14.103 -4.138 -6.749 608 HG23 VAL 84 2HG2 VAL 84 12.809 -4.017 -7.941 609 H SER 85 H SER 85 14.290 -7.444 -5.701 610 HA SER 85 HA SER 85 12.388 -6.885 -3.613 611 HB2 SER 85 1HB SER 85 14.177 -8.591 -3.413 612 HB3 SER 85 2HB SER 85 15.386 -7.311 -3.442 613 HG SER 85 HG SER 85 14.801 -6.694 -1.472 614 H ALA 86 H ALA 86 15.238 -5.164 -4.825 615 HA ALA 86 HA ALA 86 15.684 -3.195 -2.965 616 HB1 ALA 86 3HB ALA 86 15.323 -2.360 -5.839 617 HB2 ALA 86 1HB ALA 86 16.610 -3.480 -5.397 618 HB3 ALA 86 2HB ALA 86 16.566 -1.867 -4.688 619 H GLU 87 H GLU 87 13.029 -3.174 -5.323 620 HA GLU 87 HA GLU 87 11.921 -0.651 -4.509 621 HB2 GLU 87 1HB GLU 87 10.695 -3.059 -5.869 622 HB3 GLU 87 2HB GLU 87 9.838 -1.535 -5.642 623 HG2 GLU 87 1HG GLU 87 11.561 -0.349 -6.918 624 HG3 GLU 87 2HG GLU 87 12.482 -1.843 -7.096 625 H LYS 88 H LYS 88 11.565 -3.923 -3.288 626 HA LYS 88 HA LYS 88 9.192 -3.528 -1.734 627 HB2 LYS 88 1HB LYS 88 10.215 -5.758 -2.200 628 HB3 LYS 88 2HB LYS 88 11.550 -5.337 -1.129 629 HG2 LYS 88 1HG LYS 88 10.000 -5.105 0.759 630 HG3 LYS 88 2HG LYS 88 8.638 -5.467 -0.300 631 HD2 LYS 88 1HD LYS 88 9.559 -7.697 -0.758 632 HD3 LYS 88 2HD LYS 88 10.963 -7.339 0.248 633 HE2 LYS 88 1HE LYS 88 9.323 -8.651 1.522 634 HE3 LYS 88 2HE LYS 88 9.468 -7.031 2.202 635 HZ1 LYS 88 3HZ LYS 88 7.274 -6.922 1.974 636 HZ2 LYS 88 1HZ LYS 88 7.213 -8.299 0.985 637 HZ3 LYS 88 2HZ LYS 88 7.541 -6.779 0.302 638 H LEU 89 H LEU 89 12.633 -3.201 -0.869 639 HA LEU 89 HA LEU 89 12.191 -2.449 1.856 640 HB2 LEU 89 1HB LEU 89 14.441 -2.027 -0.101 641 HB3 LEU 89 2HB LEU 89 14.526 -1.322 1.511 642 HG LEU 89 HG LEU 89 15.619 -3.593 1.279 643 HD11 LEU 89 1HD1 LEU 89 14.504 -2.566 3.444 644 HD12 LEU 89 2HD1 LEU 89 15.037 -4.243 3.436 645 HD13 LEU 89 3HD1 LEU 89 13.332 -3.866 3.219 646 HD21 LEU 89 3HD2 LEU 89 14.261 -5.556 1.026 647 HD22 LEU 89 1HD2 LEU 89 13.795 -4.458 -0.273 648 HD23 LEU 89 2HD2 LEU 89 12.772 -4.621 1.155 649 H ILE 90 H ILE 90 12.700 -0.453 -1.040 650 HA ILE 90 HA ILE 90 12.367 2.057 0.353 651 HB ILE 90 HB ILE 90 12.329 1.214 -2.543 652 HG12 ILE 90 1HG1 ILE 90 14.355 2.519 -2.668 653 HG13 ILE 90 2HG1 ILE 90 14.070 3.213 -1.074 654 HG21 ILE 90 1HG2 ILE 90 10.744 2.938 -2.684 655 HG22 ILE 90 2HG2 ILE 90 12.259 3.797 -2.962 656 HG23 ILE 90 3HG2 ILE 90 11.486 3.857 -1.378 657 HD11 ILE 90 3HD1 ILE 90 14.386 0.238 -1.478 658 HD12 ILE 90 1HD1 ILE 90 14.517 1.155 0.022 659 HD13 ILE 90 2HD1 ILE 90 15.772 1.292 -1.212 660 H PHE 91 H PHE 91 10.196 0.020 -1.558 661 HA PHE 91 HA PHE 91 7.917 1.715 -1.503 662 HB2 PHE 91 1HB PHE 91 8.055 -0.258 -2.953 663 HB3 PHE 91 2HB PHE 91 8.073 -1.312 -1.540 664 HD1 PHE 91 HD1 PHE 91 6.040 1.527 -2.915 665 HD2 PHE 91 HD2 PHE 91 6.032 -2.275 -0.912 666 HE1 PHE 91 HE1 PHE 91 3.561 1.545 -2.889 667 HE2 PHE 91 HE2 PHE 91 3.552 -2.254 -0.885 668 HZ PHE 91 HZ PHE 91 2.317 -0.345 -1.873 669 H GLU 92 H GLU 92 8.894 -0.885 0.713 670 HA GLU 92 HA GLU 92 6.644 -0.587 2.480 671 HB2 GLU 92 1HB GLU 92 9.387 -1.796 2.842 672 HB3 GLU 92 2HB GLU 92 8.158 -1.829 4.108 673 HG2 GLU 92 1HG GLU 92 6.614 -3.002 2.613 674 HG3 GLU 92 2HG GLU 92 7.790 -2.918 1.302 675 H LEU 93 H LEU 93 9.878 0.826 2.417 676 HA LEU 93 HA LEU 93 9.763 2.093 4.981 677 HB2 LEU 93 1HB LEU 93 11.839 1.813 3.693 678 HB3 LEU 93 2HB LEU 93 11.233 2.920 2.464 679 HG LEU 93 HG LEU 93 11.173 4.019 5.237 680 HD11 LEU 93 1HD1 LEU 93 13.809 3.469 3.844 681 HD12 LEU 93 2HD1 LEU 93 13.280 2.795 5.385 682 HD13 LEU 93 3HD1 LEU 93 13.605 4.523 5.244 683 HD21 LEU 93 3HD2 LEU 93 12.490 5.207 2.786 684 HD22 LEU 93 1HD2 LEU 93 11.745 6.044 4.148 685 HD23 LEU 93 2HD2 LEU 93 10.738 5.211 2.964 686 H LYS 94 H LYS 94 8.963 3.310 1.730 687 HA LYS 94 HA LYS 94 8.144 5.927 2.607 688 HB2 LYS 94 1HB LYS 94 7.513 4.300 0.138 689 HB3 LYS 94 2HB LYS 94 6.915 5.942 0.371 690 HG2 LYS 94 1HG LYS 94 9.215 6.770 0.588 691 HG3 LYS 94 2HG LYS 94 9.835 5.129 0.412 692 HD2 LYS 94 1HD LYS 94 8.938 4.981 -1.849 693 HD3 LYS 94 2HD LYS 94 8.164 6.557 -1.678 694 HE2 LYS 94 1HE LYS 94 10.307 7.663 -1.508 695 HE3 LYS 94 2HE LYS 94 11.156 6.123 -1.462 696 HZ1 LYS 94 3HZ LYS 94 11.266 7.028 -3.662 697 HZ2 LYS 94 1HZ LYS 94 9.582 7.214 -3.728 698 HZ3 LYS 94 2HZ LYS 94 10.264 5.658 -3.693 699 H THR 95 H THR 95 6.306 2.962 1.900 700 HA THR 95 HA THR 95 3.730 4.106 2.495 701 HB THR 95 HB THR 95 3.051 1.661 2.742 702 HG1 THR 95 HG1 THR 95 4.618 0.340 3.074 703 HG21 THR 95 3HG2 THR 95 4.671 2.221 0.250 704 HG22 THR 95 1HG2 THR 95 3.104 2.968 0.560 705 HG23 THR 95 2HG2 THR 95 3.230 1.216 0.396 706 H ARG 96 H ARG 96 6.077 2.288 4.430 707 HA ARG 96 HA ARG 96 4.477 2.110 6.801 708 HB2 ARG 96 1HB ARG 96 7.467 2.123 6.343 709 HB3 ARG 96 2HB ARG 96 6.754 1.851 7.932 710 HG2 ARG 96 1HG ARG 96 5.699 0.177 5.673 711 HG3 ARG 96 2HG ARG 96 7.326 -0.187 6.241 712 HD2 ARG 96 1HD ARG 96 5.669 -1.531 7.465 713 HD3 ARG 96 2HD ARG 96 6.473 -0.399 8.552 714 HE ARG 96 HE ARG 96 4.423 0.788 8.780 715 HH11 ARG 96 1HH2 ARG 96 4.314 -1.586 6.273 716 HH12 ARG 96 2HH2 ARG 96 2.596 -1.473 6.072 717 HH21 ARG 96 1HH1 ARG 96 2.196 0.942 8.523 718 HH22 ARG 96 2HH1 ARG 96 1.399 -0.045 7.344 719 H ALA 97 H ALA 97 6.869 4.493 5.725 720 HA ALA 97 HA ALA 97 6.667 6.140 8.091 721 HB1 ALA 97 3HB ALA 97 7.853 7.825 6.733 722 HB2 ALA 97 1HB ALA 97 7.547 6.872 5.281 723 HB3 ALA 97 2HB ALA 97 8.601 6.239 6.544 724 H LEU 98 H LEU 98 5.101 6.162 4.921 725 HA LEU 98 HA LEU 98 3.638 8.605 5.278 726 HB2 LEU 98 1HB LEU 98 3.956 7.470 3.091 727 HB3 LEU 98 2HB LEU 98 2.913 6.159 3.638 728 HG LEU 98 HG LEU 98 1.719 8.881 3.926 729 HD11 LEU 98 1HD1 LEU 98 1.114 8.967 1.491 730 HD12 LEU 98 2HD1 LEU 98 2.300 7.694 1.199 731 HD13 LEU 98 3HD1 LEU 98 2.822 9.263 1.812 732 HD21 LEU 98 3HD2 LEU 98 0.477 6.748 4.335 733 HD22 LEU 98 1HD2 LEU 98 0.710 6.317 2.641 734 HD23 LEU 98 2HD2 LEU 98 -0.268 7.721 3.068 735 H ALA 99 H ALA 99 2.879 5.216 5.959 736 HA ALA 99 HA ALA 99 0.187 5.626 6.856 737 HB1 ALA 99 3HB ALA 99 0.528 3.427 8.029 738 HB2 ALA 99 1HB ALA 99 2.231 3.507 7.585 739 HB3 ALA 99 2HB ALA 99 1.000 3.385 6.329 740 H ARG 100 H ARG 100 3.316 5.743 8.482 741 HA ARG 100 HA ARG 100 2.137 6.189 11.132 742 HB2 ARG 100 1HB ARG 100 4.970 6.350 10.062 743 HB3 ARG 100 2HB ARG 100 4.556 6.647 11.752 744 HG2 ARG 100 1HG ARG 100 3.599 4.389 11.930 745 HG3 ARG 100 2HG ARG 100 3.957 4.091 10.229 746 HD2 ARG 100 1HD ARG 100 6.088 4.799 12.265 747 HD3 ARG 100 2HD ARG 100 5.657 3.139 11.856 748 HE ARG 100 HE ARG 100 6.196 4.485 9.424 749 HH11 ARG 100 1HH2 ARG 100 7.798 3.530 12.339 750 HH12 ARG 100 2HH2 ARG 100 9.341 3.351 11.575 751 HH21 ARG 100 1HH1 ARG 100 8.197 4.245 8.432 752 HH22 ARG 100 2HH1 ARG 100 9.567 3.753 9.370 753 H LEU 101 H LEU 101 2.891 8.073 8.402 754 HA LEU 101 HA LEU 101 2.927 10.378 8.009 755 HB2 LEU 101 1HB LEU 101 1.176 10.295 10.478 756 HB3 LEU 101 2HB LEU 101 1.385 11.721 9.461 757 HG LEU 101 HG LEU 101 0.442 9.048 8.388 758 HD11 LEU 101 1HD1 LEU 101 -1.146 9.930 10.083 759 HD12 LEU 101 2HD1 LEU 101 -1.830 9.958 8.458 760 HD13 LEU 101 3HD1 LEU 101 -1.232 11.448 9.187 761 HD21 LEU 101 3HD2 LEU 101 -0.521 10.729 6.616 762 HD22 LEU 101 1HD2 LEU 101 1.191 10.326 6.551 763 HD23 LEU 101 2HD2 LEU 101 0.671 11.848 7.273 764 H GLU 102 H GLU 102 3.503 12.532 8.964 765 HA GLU 102 HA GLU 102 5.311 13.748 9.844 766 HB2 GLU 102 1HB GLU 102 3.620 13.785 11.659 767 HB3 GLU 102 2HB GLU 102 4.360 12.343 12.356 768 HG2 GLU 102 1HG GLU 102 6.479 13.544 12.650 769 HG3 GLU 102 2HG GLU 102 5.791 14.977 11.888 770 H HIS 103 H HIS 103 7.154 12.851 8.945 771 HA HIS 103 HA HIS 103 8.695 11.020 10.732 772 HB2 HIS 103 1HB HIS 103 7.668 9.706 8.847 773 HB3 HIS 103 2HB HIS 103 8.566 10.721 7.717 774 HD1 HIS 103 HD1 HIS 103 11.087 10.317 7.496 775 HD2 HIS 103 HD2 HIS 103 9.324 7.985 10.467 776 HE1 HIS 103 HE1 HIS 103 12.828 8.618 8.199 777 H HIS 104 H HIS 104 8.695 13.942 10.128 778 HA HIS 104 HA HIS 104 11.578 14.152 9.360 779 HB2 HIS 104 1HB HIS 104 11.037 16.269 8.144 780 HB3 HIS 104 2HB HIS 104 10.332 14.844 7.385 781 HD1 HIS 104 HD1 HIS 104 8.492 15.685 10.411 782 HD2 HIS 104 HD2 HIS 104 8.409 16.935 6.433 783 HE1 HIS 104 HE1 HIS 104 6.269 16.855 10.070 784 H HIS 105 H HIS 105 9.322 14.547 11.675 785 HA HIS 105 HA HIS 105 9.849 17.183 12.712 786 HB2 HIS 105 1HB HIS 105 7.913 15.758 13.406 787 HB3 HIS 105 2HB HIS 105 9.044 14.683 14.228 788 HD1 HIS 105 HD1 HIS 105 8.534 18.469 14.187 789 HD2 HIS 105 HD2 HIS 105 9.128 15.361 16.900 790 HE1 HIS 105 HE1 HIS 105 8.564 19.525 16.488 791 H HIS 106 H HIS 106 11.301 13.999 13.308 792 HA HIS 106 HA HIS 106 13.765 15.337 14.242 793 HB2 HIS 106 1HB HIS 106 13.857 13.953 16.306 794 HB3 HIS 106 2HB HIS 106 12.518 15.097 16.323 795 HD1 HIS 106 HD1 HIS 106 10.107 14.130 16.030 796 HD2 HIS 106 HD2 HIS 106 13.089 11.221 16.209 797 HE1 HIS 106 HE1 HIS 106 8.929 11.916 16.389 798 H HIS 107 H HIS 107 15.581 14.099 13.891 799 HA HIS 107 HA HIS 107 15.230 11.694 12.210 800 HB2 HIS 107 1HB HIS 107 16.867 13.433 11.558 801 HB3 HIS 107 2HB HIS 107 17.726 13.190 13.076 802 HD1 HIS 107 HD1 HIS 107 16.698 11.186 10.003 803 HD2 HIS 107 HD2 HIS 107 19.648 11.192 12.950 804 HE1 HIS 107 HE1 HIS 107 18.339 9.363 9.377 805 H HIS 108 H HIS 108 17.162 12.550 15.093 806 HA HIS 108 HA HIS 108 18.175 11.108 16.681 807 HB2 HIS 108 1HB HIS 108 15.233 10.397 16.707 808 HB3 HIS 108 2HB HIS 108 16.369 9.842 17.937 809 HD1 HIS 108 HD1 HIS 108 18.083 12.388 18.254 810 HD2 HIS 108 HD2 HIS 108 13.917 12.427 18.102 811 HE1 HIS 108 HE1 HIS 108 17.344 14.524 19.398
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