NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
180136 | 2kjg | 16320 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -1.814 18.681 1.427 2 H2 MET 1 2HT MET 1 -1.829 18.557 3.125 3 H3 MET 1 3HT MET 1 -3.026 17.835 2.219 4 HA MET 1 HA MET 1 -1.581 16.273 1.298 5 HB2 MET 1 2HB MET 1 0.462 17.630 1.196 6 HB3 MET 1 1HB MET 1 0.555 17.635 2.951 7 HG2 MET 1 2HG MET 1 2.135 16.074 1.938 8 HG3 MET 1 1HG MET 1 0.960 15.255 2.967 9 HE1 MET 1 2HE MET 1 2.895 13.846 0.813 10 HE2 MET 1 3HE MET 1 1.778 12.658 0.143 11 HE3 MET 1 1HE MET 1 1.791 12.975 1.879 12 H SER 2 H SER 2 -3.021 15.053 2.356 13 HA SER 2 HA SER 2 -2.191 14.130 4.980 14 HB2 SER 2 2HB SER 2 -5.040 14.803 4.192 15 HB3 SER 2 1HB SER 2 -4.537 14.086 5.719 16 HG SER 2 HG SER 2 -3.187 16.095 5.900 17 H ILE 3 H ILE 3 -3.714 12.101 5.405 18 HA ILE 3 HA ILE 3 -4.472 10.588 3.068 19 HB ILE 3 HB ILE 3 -2.017 10.259 3.276 20 HG12 ILE 3 2HG1 ILE 3 -1.941 7.741 3.511 21 HG13 ILE 3 1HG1 ILE 3 -3.634 7.803 3.989 22 HG21 ILE 3 1HG2 ILE 3 -1.705 10.688 5.607 23 HG22 ILE 3 2HG2 ILE 3 -1.029 9.109 5.204 24 HG23 ILE 3 3HG2 ILE 3 -2.580 9.218 6.034 25 HD11 ILE 3 3HD1 ILE 3 -2.502 8.700 1.351 26 HD12 ILE 3 1HD1 ILE 3 -4.201 8.755 1.818 27 HD13 ILE 3 2HD1 ILE 3 -3.380 7.203 1.658 28 H LEU 4 H LEU 4 -5.414 11.855 5.585 29 HA LEU 4 HA LEU 4 -5.839 9.617 7.439 30 HB2 LEU 4 2HB LEU 4 -6.038 12.580 7.906 31 HB3 LEU 4 1HB LEU 4 -6.269 11.339 9.120 32 HG LEU 4 HG LEU 4 -3.681 11.876 7.658 33 HD11 LEU 4 1HD1 LEU 4 -2.898 12.745 9.790 34 HD12 LEU 4 2HD1 LEU 4 -4.505 12.506 10.479 35 HD13 LEU 4 3HD1 LEU 4 -4.268 13.678 9.182 36 HD21 LEU 4 3HD2 LEU 4 -4.310 10.027 9.959 37 HD22 LEU 4 1HD2 LEU 4 -2.707 10.348 9.299 38 HD23 LEU 4 2HD2 LEU 4 -3.916 9.537 8.310 39 H GLU 5 H GLU 5 -7.440 11.625 5.182 40 HA GLU 5 HA GLU 5 -9.927 11.932 6.334 41 HB2 GLU 5 2HB GLU 5 -9.392 11.560 3.399 42 HB3 GLU 5 1HB GLU 5 -10.719 12.434 4.142 43 HG2 GLU 5 2HG GLU 5 -9.385 14.162 3.523 44 HG3 GLU 5 1HG GLU 5 -8.758 13.866 5.143 45 H ASP 6 H ASP 6 -8.507 9.042 5.191 46 HA ASP 6 HA ASP 6 -11.206 7.951 4.820 47 HB2 ASP 6 2HB ASP 6 -9.634 7.894 2.835 48 HB3 ASP 6 1HB ASP 6 -8.794 6.594 3.689 49 HA PRO 7 HA PRO 7 -10.772 5.350 8.388 50 HB2 PRO 7 2HB PRO 7 -12.784 3.741 6.916 51 HB3 PRO 7 1HB PRO 7 -12.816 4.337 8.576 52 HG2 PRO 7 2HG PRO 7 -14.286 5.497 6.706 53 HG3 PRO 7 1HG PRO 7 -13.459 6.471 7.939 54 HD2 PRO 7 2HD PRO 7 -12.743 6.042 5.067 55 HD3 PRO 7 1HD PRO 7 -12.628 7.497 6.076 56 H GLU 8 H GLU 8 -10.350 4.062 5.047 57 HA GLU 8 HA GLU 8 -9.638 1.448 5.914 58 HB2 GLU 8 2HB GLU 8 -8.693 2.875 3.408 59 HB3 GLU 8 1HB GLU 8 -8.507 1.163 3.721 60 HG2 GLU 8 2HG GLU 8 -11.025 2.696 3.153 61 HG3 GLU 8 1HG GLU 8 -10.283 1.431 2.192 62 H PHE 9 H PHE 9 -7.914 4.413 5.637 63 HA PHE 9 HA PHE 9 -5.285 3.374 5.825 64 HB2 PHE 9 2HB PHE 9 -5.748 5.606 4.916 65 HB3 PHE 9 1HB PHE 9 -6.307 6.138 6.497 66 HD1 PHE 9 1HD PHE 9 -3.362 4.883 4.667 67 HD2 PHE 9 2HD PHE 9 -4.792 6.955 8.094 68 HE1 PHE 9 1HE PHE 9 -1.067 5.517 5.235 69 HE2 PHE 9 2HE PHE 9 -2.493 7.598 8.671 70 HZ PHE 9 HZ PHE 9 -0.623 6.879 7.241 71 H VAL 10 H VAL 10 -7.534 4.589 8.260 72 HA VAL 10 HA VAL 10 -5.637 4.427 10.348 73 HB VAL 10 HB VAL 10 -7.711 5.818 10.571 74 HG11 VAL 10 1HG1 VAL 10 -9.805 4.810 11.310 75 HG12 VAL 10 2HG1 VAL 10 -9.124 3.211 11.017 76 HG13 VAL 10 3HG1 VAL 10 -9.362 4.327 9.671 77 HG21 VAL 10 3HG2 VAL 10 -8.129 5.356 12.955 78 HG22 VAL 10 1HG2 VAL 10 -6.409 5.337 12.557 79 HG23 VAL 10 2HG2 VAL 10 -7.277 3.821 12.786 80 H LYS 11 H LYS 11 -7.847 2.121 8.988 81 HA LYS 11 HA LYS 11 -7.501 0.162 10.978 82 HB2 LYS 11 2HB LYS 11 -8.341 -0.086 8.093 83 HB3 LYS 11 1HB LYS 11 -8.359 -1.433 9.230 84 HG2 LYS 11 2HG LYS 11 -9.920 -0.222 10.660 85 HG3 LYS 11 1HG LYS 11 -9.889 1.139 9.552 86 HD2 LYS 11 2HD LYS 11 -10.832 -1.633 8.801 87 HD3 LYS 11 1HD LYS 11 -11.891 -0.322 9.315 88 HE2 LYS 11 2HE LYS 11 -11.038 1.035 7.428 89 HE3 LYS 11 1HE LYS 11 -10.110 -0.369 6.894 90 HZ1 LYS 11 3HZ LYS 11 -13.065 -0.261 7.138 91 HZ2 LYS 11 1HZ LYS 11 -12.166 -1.567 6.559 92 HZ3 LYS 11 2HZ LYS 11 -12.199 -0.113 5.708 93 H LEU 12 H LEU 12 -5.730 0.866 8.007 94 HA LEU 12 HA LEU 12 -3.894 -1.260 8.065 95 HB2 LEU 12 2HB LEU 12 -3.549 1.609 7.189 96 HB3 LEU 12 1HB LEU 12 -2.326 0.377 6.939 97 HG LEU 12 HG LEU 12 -5.102 0.339 5.741 98 HD11 LEU 12 1HD1 LEU 12 -2.415 1.057 4.566 99 HD12 LEU 12 2HD1 LEU 12 -3.743 2.176 4.870 100 HD13 LEU 12 3HD1 LEU 12 -3.920 0.897 3.668 101 HD21 LEU 12 3HD2 LEU 12 -2.657 -1.298 5.120 102 HD22 LEU 12 1HD2 LEU 12 -4.239 -1.454 4.375 103 HD23 LEU 12 2HD2 LEU 12 -4.009 -1.888 6.078 104 H ARG 13 H ARG 13 -3.848 1.889 9.578 105 HA ARG 13 HA ARG 13 -1.369 1.723 10.892 106 HB2 ARG 13 2HB ARG 13 -3.860 3.271 11.626 107 HB3 ARG 13 1HB ARG 13 -2.285 3.515 12.365 108 HG2 ARG 13 2HG ARG 13 -2.371 3.674 9.423 109 HG3 ARG 13 1HG ARG 13 -3.204 4.958 10.287 110 HD2 ARG 13 2HD ARG 13 -0.883 5.560 9.773 111 HD3 ARG 13 1HD ARG 13 -1.169 5.491 11.503 112 HE ARG 13 HE ARG 13 -0.149 3.040 10.842 113 HH11 ARG 13 1HH1 ARG 13 0.964 6.380 10.328 114 HH12 ARG 13 2HH1 ARG 13 2.593 6.003 10.560 115 HH21 ARG 13 1HH2 ARG 13 2.150 2.554 11.144 116 HH22 ARG 13 2HH2 ARG 13 3.285 3.811 11.044 117 H GLN 14 H GLN 14 -4.608 0.752 11.882 118 HA GLN 14 HA GLN 14 -4.015 -0.001 14.537 119 HB2 GLN 14 2HB GLN 14 -6.137 -1.073 12.685 120 HB3 GLN 14 1HB GLN 14 -6.052 -1.425 14.405 121 HG2 GLN 14 2HG GLN 14 -6.348 0.974 14.878 122 HG3 GLN 14 1HG GLN 14 -6.477 1.280 13.148 123 HE21 GLN 14 1HE2 GLN 14 -7.975 -1.221 12.708 124 HE22 GLN 14 2HE2 GLN 14 -9.565 -0.940 13.296 125 H PHE 15 H PHE 15 -3.878 -1.874 11.499 126 HA PHE 15 HA PHE 15 -3.254 -4.290 12.846 127 HB2 PHE 15 2HB PHE 15 -3.123 -3.501 9.945 128 HB3 PHE 15 1HB PHE 15 -2.683 -5.097 10.528 129 HD1 PHE 15 1HD PHE 15 -4.637 -5.970 12.308 130 HD2 PHE 15 2HD PHE 15 -5.169 -3.438 8.933 131 HE1 PHE 15 1HE PHE 15 -6.985 -6.676 12.157 132 HE2 PHE 15 2HE PHE 15 -7.522 -4.134 8.776 133 HZ PHE 15 HZ PHE 15 -8.435 -5.755 10.391 134 H LYS 16 H LYS 16 -1.476 -1.580 12.045 135 HA LYS 16 HA LYS 16 0.677 -0.955 12.409 136 HB2 LYS 16 2HB LYS 16 1.162 -3.748 13.483 137 HB3 LYS 16 1HB LYS 16 2.200 -2.358 13.723 138 HG2 LYS 16 2HG LYS 16 -0.610 -2.644 14.796 139 HG3 LYS 16 1HG LYS 16 0.859 -2.950 15.709 140 HD2 LYS 16 2HD LYS 16 0.079 -0.298 14.490 141 HD3 LYS 16 1HD LYS 16 -0.145 -0.737 16.179 142 HE2 LYS 16 2HE LYS 16 2.359 -1.111 16.290 143 HE3 LYS 16 1HE LYS 16 2.453 -0.384 14.688 144 HZ1 LYS 16 3HZ LYS 16 2.853 1.299 16.361 145 HZ2 LYS 16 1HZ LYS 16 1.401 0.900 17.134 146 HZ3 LYS 16 2HZ LYS 16 1.368 1.594 15.616 147 H GLY 17 H GLY 17 -0.263 -3.059 10.213 148 HA2 GLY 17 2HA GLY 17 0.720 -3.289 8.080 149 HA3 GLY 17 1HA GLY 17 2.300 -3.007 8.809 150 H LYS 18 H LYS 18 3.171 -4.686 10.184 151 HA LYS 18 HA LYS 18 3.945 -6.772 10.590 152 HB2 LYS 18 2HB LYS 18 1.076 -7.457 10.065 153 HB3 LYS 18 1HB LYS 18 2.259 -8.616 10.646 154 HG2 LYS 18 2HG LYS 18 2.474 -7.527 12.710 155 HG3 LYS 18 1HG LYS 18 1.739 -6.041 12.096 156 HD2 LYS 18 2HD LYS 18 0.172 -7.248 13.512 157 HD3 LYS 18 1HD LYS 18 -0.336 -7.160 11.816 158 HE2 LYS 18 2HE LYS 18 0.525 -9.467 11.485 159 HE3 LYS 18 1HE LYS 18 0.917 -9.539 13.199 160 HZ1 LYS 18 3HZ LYS 18 -1.168 -10.611 12.729 161 HZ2 LYS 18 1HZ LYS 18 -1.793 -9.207 12.046 162 HZ3 LYS 18 2HZ LYS 18 -1.438 -9.232 13.682 163 H VAL 19 H VAL 19 3.510 -5.773 7.735 164 HA VAL 19 HA VAL 19 3.683 -8.296 6.269 165 HB VAL 19 HB VAL 19 3.313 -6.950 4.232 166 HG11 VAL 19 1HG1 VAL 19 1.371 -7.848 5.400 167 HG12 VAL 19 2HG1 VAL 19 0.993 -6.281 4.682 168 HG13 VAL 19 3HG1 VAL 19 1.304 -6.406 6.413 169 HG21 VAL 19 3HG2 VAL 19 2.627 -4.587 4.494 170 HG22 VAL 19 1HG2 VAL 19 4.337 -4.889 4.859 171 HG23 VAL 19 2HG2 VAL 19 3.168 -4.669 6.174 172 H ASN 20 H ASN 20 5.172 -8.189 4.347 173 HA ASN 20 HA ASN 20 7.851 -7.688 5.249 174 HB2 ASN 20 2HB ASN 20 6.979 -9.586 3.596 175 HB3 ASN 20 1HB ASN 20 7.038 -8.214 2.472 176 HD21 ASN 20 1HD2 ASN 20 8.564 -10.755 2.673 177 HD22 ASN 20 2HD2 ASN 20 10.207 -10.259 2.527 178 H PHE 21 H PHE 21 8.606 -5.690 5.199 179 HA PHE 21 HA PHE 21 7.519 -3.509 3.839 180 HB2 PHE 21 2HB PHE 21 8.913 -3.115 5.728 181 HB3 PHE 21 1HB PHE 21 10.247 -4.005 5.023 182 HD1 PHE 21 1HD PHE 21 8.141 -1.015 4.313 183 HD2 PHE 21 2HD PHE 21 11.960 -2.849 4.030 184 HE1 PHE 21 1HE PHE 21 9.071 1.067 3.360 185 HE2 PHE 21 2HE PHE 21 12.896 -0.785 3.080 186 HZ PHE 21 HZ PHE 21 11.449 1.174 2.737 187 H ASN 22 H ASN 22 9.803 -5.893 2.923 188 HA ASN 22 HA ASN 22 10.966 -4.321 0.788 189 HB2 ASN 22 2HB ASN 22 11.263 -7.269 1.401 190 HB3 ASN 22 1HB ASN 22 12.163 -6.409 0.160 191 HD21 ASN 22 1HD2 ASN 22 11.808 -7.040 3.544 192 HD22 ASN 22 2HD2 ASN 22 13.251 -6.255 4.045 193 H LEU 23 H LEU 23 8.573 -6.803 1.154 194 HA LEU 23 HA LEU 23 8.376 -7.128 -1.667 195 HB2 LEU 23 2HB LEU 23 7.985 -9.011 -0.095 196 HB3 LEU 23 1HB LEU 23 6.547 -8.191 0.461 197 HG LEU 23 HG LEU 23 5.417 -8.547 -1.621 198 HD11 LEU 23 1HD1 LEU 23 8.047 -9.650 -2.648 199 HD12 LEU 23 2HD1 LEU 23 7.285 -8.144 -3.170 200 HD13 LEU 23 3HD1 LEU 23 6.510 -9.688 -3.508 201 HD21 LEU 23 3HD2 LEU 23 6.964 -11.018 -0.901 202 HD22 LEU 23 1HD2 LEU 23 5.393 -10.952 -1.700 203 HD23 LEU 23 2HD2 LEU 23 5.567 -10.404 -0.022 204 H VAL 24 H VAL 24 6.517 -5.464 0.849 205 HA VAL 24 HA VAL 24 4.414 -4.678 -0.870 206 HB VAL 24 HB VAL 24 5.415 -3.348 1.670 207 HG11 VAL 24 1HG1 VAL 24 2.794 -2.963 0.212 208 HG12 VAL 24 2HG1 VAL 24 4.103 -1.784 0.309 209 HG13 VAL 24 3HG1 VAL 24 3.233 -2.251 1.768 210 HG21 VAL 24 3HG2 VAL 24 3.524 -4.501 2.701 211 HG22 VAL 24 1HG2 VAL 24 4.672 -5.636 1.993 212 HG23 VAL 24 2HG2 VAL 24 3.162 -5.274 1.157 213 H MET 25 H MET 25 7.479 -3.222 0.001 214 HA MET 25 HA MET 25 7.263 -0.807 -1.370 215 HB2 MET 25 2HB MET 25 9.082 -1.350 0.184 216 HB3 MET 25 1HB MET 25 9.688 -2.559 -0.926 217 HG2 MET 25 2HG MET 25 10.263 -0.847 -2.523 218 HG3 MET 25 1HG MET 25 9.582 0.398 -1.467 219 HE1 MET 25 3HE MET 25 13.329 -2.117 -0.450 220 HE2 MET 25 1HE MET 25 12.464 -2.221 -1.982 221 HE3 MET 25 2HE MET 25 11.705 -2.789 -0.493 222 H GLN 26 H GLN 26 8.077 -4.025 -2.496 223 HA GLN 26 HA GLN 26 8.613 -3.165 -5.159 224 HB2 GLN 26 2HB GLN 26 9.707 -5.126 -4.368 225 HB3 GLN 26 1HB GLN 26 8.172 -5.917 -4.012 226 HG2 GLN 26 2HG GLN 26 7.677 -6.042 -6.377 227 HG3 GLN 26 1HG GLN 26 9.139 -5.132 -6.753 228 HE21 GLN 26 1HE2 GLN 26 9.893 -6.791 -8.027 229 HE22 GLN 26 2HE2 GLN 26 10.561 -8.228 -7.377 230 H ILE 27 H ILE 27 5.824 -4.592 -3.512 231 HA ILE 27 HA ILE 27 4.106 -4.969 -5.704 232 HB ILE 27 HB ILE 27 3.340 -4.017 -2.921 233 HG12 ILE 27 2HG1 ILE 27 4.552 -6.164 -2.852 234 HG13 ILE 27 1HG1 ILE 27 2.879 -6.359 -2.361 235 HG21 ILE 27 1HG2 ILE 27 1.102 -4.940 -3.371 236 HG22 ILE 27 2HG2 ILE 27 1.596 -5.283 -5.027 237 HG23 ILE 27 3HG2 ILE 27 1.524 -3.617 -4.460 238 HD11 ILE 27 3HD1 ILE 27 2.369 -7.268 -4.588 239 HD12 ILE 27 1HD1 ILE 27 3.579 -8.204 -3.714 240 HD13 ILE 27 2HD1 ILE 27 4.079 -7.123 -5.015 241 H LEU 28 H LEU 28 4.466 -2.159 -3.595 242 HA LEU 28 HA LEU 28 2.706 -0.421 -4.910 243 HB2 LEU 28 2HB LEU 28 5.169 0.188 -3.284 244 HB3 LEU 28 1HB LEU 28 3.920 1.344 -3.697 245 HG LEU 28 HG LEU 28 3.506 -1.095 -1.965 246 HD11 LEU 28 1HD1 LEU 28 4.959 0.515 -0.905 247 HD12 LEU 28 2HD1 LEU 28 3.376 0.498 -0.128 248 HD13 LEU 28 3HD1 LEU 28 3.805 1.805 -1.235 249 HD21 LEU 28 3HD2 LEU 28 1.468 -0.390 -3.124 250 HD22 LEU 28 1HD2 LEU 28 1.727 1.259 -2.554 251 HD23 LEU 28 2HD2 LEU 28 1.374 -0.026 -1.399 252 H ASP 29 H ASP 29 6.143 -0.987 -5.246 253 HA ASP 29 HA ASP 29 6.812 1.012 -7.125 254 HB2 ASP 29 2HB ASP 29 8.366 -0.504 -5.769 255 HB3 ASP 29 1HB ASP 29 7.956 -1.738 -6.909 256 H GLU 30 H GLU 30 5.827 -2.293 -7.449 257 HA GLU 30 HA GLU 30 6.162 -2.576 -10.223 258 HB2 GLU 30 2HB GLU 30 5.802 -4.335 -8.297 259 HB3 GLU 30 1HB GLU 30 4.110 -4.155 -8.726 260 HG2 GLU 30 2HG GLU 30 4.575 -4.868 -10.991 261 HG3 GLU 30 1HG GLU 30 6.294 -4.965 -10.618 262 H ILE 31 H ILE 31 3.226 -1.791 -8.319 263 HA ILE 31 HA ILE 31 1.627 -1.481 -10.676 264 HB ILE 31 HB ILE 31 -0.056 -0.353 -9.276 265 HG12 ILE 31 2HG1 ILE 31 1.941 -0.554 -7.017 266 HG13 ILE 31 1HG1 ILE 31 1.542 0.927 -7.872 267 HG21 ILE 31 1HG2 ILE 31 -0.065 -2.760 -9.241 268 HG22 ILE 31 2HG2 ILE 31 -0.489 -2.147 -7.638 269 HG23 ILE 31 3HG2 ILE 31 1.126 -2.772 -7.942 270 HD11 ILE 31 3HD1 ILE 31 -0.327 -0.731 -6.215 271 HD12 ILE 31 1HD1 ILE 31 -0.755 0.749 -7.079 272 HD13 ILE 31 2HD1 ILE 31 0.420 0.805 -5.761 273 H GLU 32 H GLU 32 3.607 0.675 -8.747 274 HA GLU 32 HA GLU 32 2.768 3.102 -9.819 275 HB2 GLU 32 2HB GLU 32 4.088 2.917 -7.774 276 HB3 GLU 32 1HB GLU 32 5.459 2.341 -8.704 277 HG2 GLU 32 2HG GLU 32 5.618 4.418 -9.846 278 HG3 GLU 32 1HG GLU 32 4.197 5.056 -9.003 279 H LEU 33 H LEU 33 5.566 1.093 -10.690 280 HA LEU 33 HA LEU 33 6.396 2.780 -12.744 281 HB2 LEU 33 2HB LEU 33 7.825 0.949 -13.548 282 HB3 LEU 33 1HB LEU 33 7.970 1.229 -11.839 283 HG LEU 33 HG LEU 33 6.409 -0.797 -11.542 284 HD11 LEU 33 1HD1 LEU 33 5.622 -1.015 -13.816 285 HD12 LEU 33 2HD1 LEU 33 6.477 -2.471 -13.303 286 HD13 LEU 33 3HD1 LEU 33 7.268 -1.316 -14.378 287 HD21 LEU 33 3HD2 LEU 33 9.179 -1.181 -12.645 288 HD22 LEU 33 1HD2 LEU 33 8.271 -2.361 -11.704 289 HD23 LEU 33 2HD2 LEU 33 8.754 -0.834 -10.966 290 H ASP 34 H ASP 34 4.036 0.233 -12.801 291 HA ASP 34 HA ASP 34 3.749 0.222 -15.638 292 HB2 ASP 34 2HB ASP 34 2.927 -1.674 -14.318 293 HB3 ASP 34 1HB ASP 34 1.764 -0.629 -13.506 294 H LEU 35 H LEU 35 2.008 1.766 -12.994 295 HA LEU 35 HA LEU 35 0.149 3.162 -14.575 296 HB2 LEU 35 2HB LEU 35 -0.192 2.722 -12.210 297 HB3 LEU 35 1HB LEU 35 1.168 3.745 -11.802 298 HG LEU 35 HG LEU 35 -0.067 5.702 -12.660 299 HD11 LEU 35 1HD1 LEU 35 -2.463 5.511 -13.116 300 HD12 LEU 35 2HD1 LEU 35 -2.337 3.752 -13.020 301 HD13 LEU 35 3HD1 LEU 35 -1.491 4.631 -14.291 302 HD21 LEU 35 3HD2 LEU 35 -1.464 4.061 -10.567 303 HD22 LEU 35 1HD2 LEU 35 -1.724 5.787 -10.838 304 HD23 LEU 35 2HD2 LEU 35 -0.147 5.203 -10.319 305 H ARG 36 H ARG 36 3.436 3.900 -13.769 306 HA ARG 36 HA ARG 36 3.251 6.633 -14.428 307 HB2 ARG 36 2HB ARG 36 5.684 4.842 -14.406 308 HB3 ARG 36 1HB ARG 36 5.748 6.585 -14.620 309 HG2 ARG 36 2HG ARG 36 4.634 6.813 -12.391 310 HG3 ARG 36 1HG ARG 36 4.808 5.075 -12.194 311 HD2 ARG 36 2HD ARG 36 7.024 7.094 -12.503 312 HD3 ARG 36 1HD ARG 36 6.605 6.216 -11.033 313 HE ARG 36 HE ARG 36 7.574 4.889 -13.466 314 HH11 ARG 36 1HH1 ARG 36 7.747 5.194 -9.869 315 HH12 ARG 36 2HH1 ARG 36 9.079 4.180 -9.792 316 HH21 ARG 36 1HH2 ARG 36 9.476 3.469 -13.175 317 HH22 ARG 36 2HH2 ARG 36 10.051 3.224 -11.599 318 H GLY 37 H GLY 37 3.775 3.766 -16.290 319 HA2 GLY 37 2HA GLY 37 4.251 5.307 -18.728 320 HA3 GLY 37 1HA GLY 37 4.265 3.552 -18.590 321 H SER 38 H SER 38 1.805 3.306 -17.246 322 HA SER 38 HA SER 38 0.012 3.587 -19.507 323 HB2 SER 38 2HB SER 38 -0.366 2.105 -16.911 324 HB3 SER 38 1HB SER 38 -1.257 1.883 -18.421 325 HG SER 38 HG SER 38 1.292 1.086 -17.691 326 H ASP 39 H ASP 39 -2.473 3.691 -18.307 327 HA ASP 39 HA ASP 39 -2.366 6.113 -16.610 328 HB2 ASP 39 2HB ASP 39 -4.207 7.119 -17.766 329 HB3 ASP 39 1HB ASP 39 -3.042 6.621 -18.982 330 H ASN 40 H ASN 40 -3.412 2.925 -16.666 331 HA ASN 40 HA ASN 40 -5.808 3.568 -15.104 332 HB2 ASN 40 2HB ASN 40 -6.132 2.393 -17.320 333 HB3 ASN 40 1HB ASN 40 -5.238 1.050 -16.654 334 HD21 ASN 40 1HD2 ASN 40 -8.038 1.330 -17.600 335 HD22 ASN 40 2HD2 ASN 40 -8.981 0.700 -16.308 336 H ILE 41 H ILE 41 -5.287 3.372 -13.037 337 HA ILE 41 HA ILE 41 -3.121 1.685 -12.226 338 HB ILE 41 HB ILE 41 -3.440 3.820 -11.078 339 HG12 ILE 41 2HG1 ILE 41 -3.933 1.483 -9.204 340 HG13 ILE 41 1HG1 ILE 41 -2.369 1.941 -9.856 341 HG21 ILE 41 1HG2 ILE 41 -5.341 4.092 -9.479 342 HG22 ILE 41 2HG2 ILE 41 -6.111 2.707 -10.288 343 HG23 ILE 41 3HG2 ILE 41 -5.737 4.168 -11.187 344 HD11 ILE 41 3HD1 ILE 41 -2.598 2.689 -7.578 345 HD12 ILE 41 1HD1 ILE 41 -4.075 3.556 -7.985 346 HD13 ILE 41 2HD1 ILE 41 -2.535 4.082 -8.659 347 H LYS 42 H LYS 42 -6.546 1.452 -12.316 348 HA LYS 42 HA LYS 42 -6.995 -0.704 -10.548 349 HB2 LYS 42 2HB LYS 42 -8.349 -0.403 -13.222 350 HB3 LYS 42 1HB LYS 42 -8.988 -1.185 -11.788 351 HG2 LYS 42 2HG LYS 42 -9.037 1.015 -10.683 352 HG3 LYS 42 1HG LYS 42 -8.546 1.758 -12.196 353 HD2 LYS 42 2HD LYS 42 -11.069 0.128 -11.802 354 HD3 LYS 42 1HD LYS 42 -10.998 1.886 -11.922 355 HE2 LYS 42 2HE LYS 42 -10.133 1.715 -14.194 356 HE3 LYS 42 1HE LYS 42 -10.100 -0.039 -14.057 357 HZ1 LYS 42 3HZ LYS 42 -12.004 0.690 -15.280 358 HZ2 LYS 42 1HZ LYS 42 -12.543 1.642 -14.002 359 HZ3 LYS 42 2HZ LYS 42 -12.490 -0.042 -13.863 360 H THR 43 H THR 43 -6.315 -0.630 -13.974 361 HA THR 43 HA THR 43 -5.990 -3.399 -14.310 362 HB THR 43 HB THR 43 -4.736 -1.210 -16.001 363 HG1 THR 43 1HG THR 43 -6.723 -1.507 -17.218 364 HG21 THR 43 3HG2 THR 43 -3.909 -3.491 -16.480 365 HG22 THR 43 1HG2 THR 43 -4.894 -2.868 -17.804 366 HG23 THR 43 2HG2 THR 43 -5.575 -4.041 -16.678 367 H SER 44 H SER 44 -3.626 -0.834 -13.538 368 HA SER 44 HA SER 44 -1.322 -2.386 -13.575 369 HB2 SER 44 2HB SER 44 -1.956 -0.142 -11.642 370 HB3 SER 44 1HB SER 44 -0.353 -0.725 -12.100 371 HG SER 44 HG SER 44 -0.753 -0.028 -14.224 372 H ILE 45 H ILE 45 -3.716 -1.912 -10.993 373 HA ILE 45 HA ILE 45 -2.531 -3.407 -8.948 374 HB ILE 45 HB ILE 45 -5.473 -3.009 -9.603 375 HG12 ILE 45 2HG1 ILE 45 -4.344 -0.914 -9.065 376 HG13 ILE 45 1HG1 ILE 45 -5.475 -1.342 -7.792 377 HG21 ILE 45 1HG2 ILE 45 -4.333 -4.127 -7.054 378 HG22 ILE 45 2HG2 ILE 45 -5.308 -4.988 -8.245 379 HG23 ILE 45 3HG2 ILE 45 -6.018 -3.670 -7.310 380 HD11 ILE 45 3HD1 ILE 45 -3.439 -0.454 -6.850 381 HD12 ILE 45 1HD1 ILE 45 -2.481 -1.657 -7.717 382 HD13 ILE 45 2HD1 ILE 45 -3.584 -2.163 -6.438 383 H ILE 46 H ILE 46 -4.693 -4.371 -11.563 384 HA ILE 46 HA ILE 46 -5.190 -6.996 -10.898 385 HB ILE 46 HB ILE 46 -4.897 -5.846 -13.688 386 HG12 ILE 46 2HG1 ILE 46 -7.346 -6.276 -11.955 387 HG13 ILE 46 1HG1 ILE 46 -6.596 -4.727 -12.313 388 HG21 ILE 46 1HG2 ILE 46 -6.213 -8.421 -12.807 389 HG22 ILE 46 2HG2 ILE 46 -4.739 -8.284 -13.765 390 HG23 ILE 46 3HG2 ILE 46 -6.280 -7.747 -14.436 391 HD11 ILE 46 3HD1 ILE 46 -7.168 -5.026 -14.691 392 HD12 ILE 46 1HD1 ILE 46 -8.589 -5.059 -13.645 393 HD13 ILE 46 2HD1 ILE 46 -7.931 -6.561 -14.289 394 H TYR 47 H TYR 47 -2.440 -5.789 -12.855 395 HA TYR 47 HA TYR 47 -1.414 -8.323 -13.548 396 HB2 TYR 47 2HB TYR 47 0.279 -5.885 -13.034 397 HB3 TYR 47 1HB TYR 47 0.687 -7.269 -14.023 398 HD1 TYR 47 2HD TYR 47 -1.213 -7.661 -15.961 399 HD2 TYR 47 1HD TYR 47 -0.173 -3.999 -14.102 400 HE1 TYR 47 2HE TYR 47 -2.021 -6.435 -17.929 401 HE2 TYR 47 1HE TYR 47 -0.964 -2.762 -16.032 402 HH TYR 47 HH TYR 47 -1.323 -3.138 -18.360 403 H VAL 48 H VAL 48 -0.513 -6.103 -10.998 404 HA VAL 48 HA VAL 48 1.593 -7.656 -9.983 405 HB VAL 48 HB VAL 48 0.089 -5.378 -8.697 406 HG11 VAL 48 1HG1 VAL 48 2.843 -6.471 -8.099 407 HG12 VAL 48 2HG1 VAL 48 1.425 -6.628 -7.066 408 HG13 VAL 48 3HG1 VAL 48 2.122 -5.034 -7.371 409 HG21 VAL 48 3HG2 VAL 48 0.960 -4.763 -10.867 410 HG22 VAL 48 1HG2 VAL 48 2.543 -5.409 -10.440 411 HG23 VAL 48 2HG2 VAL 48 1.916 -3.990 -9.604 412 H TYR 49 H TYR 49 -1.759 -7.222 -8.942 413 HA TYR 49 HA TYR 49 -1.397 -8.781 -6.641 414 HB2 TYR 49 2HB TYR 49 -3.853 -7.721 -8.023 415 HB3 TYR 49 1HB TYR 49 -3.976 -8.784 -6.624 416 HD1 TYR 49 2HD TYR 49 -1.529 -6.018 -7.256 417 HD2 TYR 49 1HD TYR 49 -4.803 -7.392 -4.914 418 HE1 TYR 49 2HE TYR 49 -1.243 -4.106 -5.761 419 HE2 TYR 49 1HE TYR 49 -4.521 -5.476 -3.402 420 HH TYR 49 HH TYR 49 -2.521 -2.815 -4.180 421 H SER 50 H SER 50 -2.516 -9.513 -9.912 422 HA SER 50 HA SER 50 -3.242 -12.186 -9.281 423 HB2 SER 50 2HB SER 50 -4.177 -10.991 -11.242 424 HB3 SER 50 1HB SER 50 -2.574 -10.921 -11.963 425 HG SER 50 HG SER 50 -2.612 -13.050 -12.316 426 H SER 51 H SER 51 -0.305 -10.582 -10.269 427 HA SER 51 HA SER 51 1.118 -12.950 -10.872 428 HB2 SER 51 2HB SER 51 1.704 -10.644 -11.712 429 HB3 SER 51 1HB SER 51 2.224 -10.241 -10.084 430 HG SER 51 HG SER 51 3.927 -10.847 -11.428 431 H HIS 52 H HIS 52 0.807 -10.908 -8.013 432 HA HIS 52 HA HIS 52 2.541 -12.729 -6.485 433 HB2 HIS 52 2HB HIS 52 1.605 -9.914 -5.888 434 HB3 HIS 52 1HB HIS 52 2.550 -10.889 -4.779 435 HD1 HIS 52 1HD HIS 52 5.053 -10.888 -5.102 436 HD2 HIS 52 2HD HIS 52 3.026 -9.036 -8.215 437 HE1 HIS 52 1HE HIS 52 6.822 -9.679 -6.450 438 HE2 HIS 52 2HE HIS 52 5.493 -8.336 -8.136 439 H LEU 53 H LEU 53 -0.110 -13.558 -7.126 440 HA LEU 53 HA LEU 53 -2.192 -13.012 -5.423 441 HB2 LEU 53 2HB LEU 53 -1.397 -15.643 -6.624 442 HB3 LEU 53 1HB LEU 53 -2.867 -15.430 -5.697 443 HG LEU 53 HG LEU 53 -2.220 -13.912 -8.213 444 HD11 LEU 53 1HD1 LEU 53 -3.978 -16.329 -7.803 445 HD12 LEU 53 2HD1 LEU 53 -2.444 -16.290 -8.678 446 HD13 LEU 53 3HD1 LEU 53 -3.831 -15.397 -9.296 447 HD21 LEU 53 3HD2 LEU 53 -4.631 -13.399 -8.170 448 HD22 LEU 53 1HD2 LEU 53 -3.791 -12.747 -6.764 449 HD23 LEU 53 2HD2 LEU 53 -4.760 -14.210 -6.610 450 H ASP 54 H ASP 54 0.458 -15.206 -4.807 451 HA ASP 54 HA ASP 54 -0.519 -16.365 -2.465 452 HB2 ASP 54 2HB ASP 54 1.411 -17.341 -3.506 453 HB3 ASP 54 1HB ASP 54 2.355 -15.875 -3.241 454 H GLU 55 H GLU 55 1.461 -13.442 -2.794 455 HA GLU 55 HA GLU 55 1.413 -13.093 0.029 456 HB2 GLU 55 2HB GLU 55 3.234 -12.216 -1.518 457 HB3 GLU 55 1HB GLU 55 2.115 -10.909 -1.904 458 HG2 GLU 55 2HG GLU 55 3.562 -10.149 -0.184 459 HG3 GLU 55 1HG GLU 55 1.969 -10.385 0.512 460 H ILE 56 H ILE 56 -0.481 -11.954 -2.637 461 HA ILE 56 HA ILE 56 -1.848 -9.868 -1.329 462 HB ILE 56 HB ILE 56 -2.937 -11.667 -3.515 463 HG12 ILE 56 2HG1 ILE 56 -0.856 -10.677 -4.260 464 HG13 ILE 56 1HG1 ILE 56 -2.202 -9.897 -5.076 465 HG21 ILE 56 1HG2 ILE 56 -4.706 -10.382 -2.443 466 HG22 ILE 56 2HG2 ILE 56 -4.403 -9.776 -4.081 467 HG23 ILE 56 3HG2 ILE 56 -3.788 -8.894 -2.687 468 HD11 ILE 56 3HD1 ILE 56 -0.502 -8.286 -4.450 469 HD12 ILE 56 1HD1 ILE 56 -0.633 -8.771 -2.759 470 HD13 ILE 56 2HD1 ILE 56 -1.992 -7.982 -3.558 471 H ARG 57 H ARG 57 -2.626 -13.290 -1.649 472 HA ARG 57 HA ARG 57 -5.006 -13.133 -0.081 473 HB2 ARG 57 2HB ARG 57 -4.987 -15.578 -0.100 474 HB3 ARG 57 1HB ARG 57 -4.615 -14.962 -1.703 475 HG2 ARG 57 2HG ARG 57 -2.222 -15.327 -1.247 476 HG3 ARG 57 1HG ARG 57 -2.655 -16.031 0.305 477 HD2 ARG 57 2HD ARG 57 -3.903 -17.796 -0.853 478 HD3 ARG 57 1HD ARG 57 -3.474 -17.056 -2.402 479 HE ARG 57 HE ARG 57 -1.167 -17.567 -0.863 480 HH11 ARG 57 1HH1 ARG 57 -3.527 -19.253 -2.887 481 HH12 ARG 57 2HH1 ARG 57 -2.466 -20.488 -3.351 482 HH21 ARG 57 1HH2 ARG 57 0.301 -19.173 -1.520 483 HH22 ARG 57 2HH2 ARG 57 -0.212 -20.463 -2.532 484 H LYS 58 H LYS 58 -1.670 -13.331 0.698 485 HA LYS 58 HA LYS 58 -1.794 -14.573 3.267 486 HB2 LYS 58 2HB LYS 58 0.253 -14.081 1.728 487 HB3 LYS 58 1HB LYS 58 0.219 -12.488 2.453 488 HG2 LYS 58 2HG LYS 58 1.787 -13.594 3.742 489 HG3 LYS 58 1HG LYS 58 0.316 -13.778 4.702 490 HD2 LYS 58 2HD LYS 58 1.193 -15.932 4.715 491 HD3 LYS 58 1HD LYS 58 0.029 -16.000 3.397 492 HE2 LYS 58 2HE LYS 58 3.044 -15.734 3.170 493 HE3 LYS 58 1HE LYS 58 2.070 -17.117 2.703 494 HZ1 LYS 58 3HZ LYS 58 2.626 -15.960 0.696 495 HZ2 LYS 58 1HZ LYS 58 2.240 -14.462 1.377 496 HZ3 LYS 58 2HZ LYS 58 1.034 -15.566 0.989 497 H ASN 59 H ASN 59 -1.561 -11.253 2.147 498 HA ASN 59 HA ASN 59 -2.347 -10.227 4.805 499 HB2 ASN 59 2HB ASN 59 -0.903 -8.779 2.567 500 HB3 ASN 59 1HB ASN 59 -1.181 -8.202 4.184 501 HD21 ASN 59 1HD2 ASN 59 -0.452 -10.156 5.679 502 HD22 ASN 59 2HD2 ASN 59 1.228 -10.563 5.585 503 H LYS 60 H LYS 60 -4.427 -11.082 3.377 504 HA LYS 60 HA LYS 60 -5.221 -9.506 1.207 505 HB2 LYS 60 2HB LYS 60 -7.381 -10.518 1.290 506 HB3 LYS 60 1HB LYS 60 -6.162 -11.750 1.586 507 HG2 LYS 60 2HG LYS 60 -6.702 -11.688 3.954 508 HG3 LYS 60 1HG LYS 60 -7.900 -10.421 3.659 509 HD2 LYS 60 2HD LYS 60 -9.027 -12.023 2.058 510 HD3 LYS 60 1HD LYS 60 -7.934 -13.266 2.653 511 HE2 LYS 60 2HE LYS 60 -10.031 -13.476 3.811 512 HE3 LYS 60 1HE LYS 60 -8.823 -12.856 4.937 513 HZ1 LYS 60 3HZ LYS 60 -9.759 -10.683 4.783 514 HZ2 LYS 60 1HZ LYS 60 -11.020 -11.749 5.056 515 HZ3 LYS 60 2HZ LYS 60 -10.776 -11.120 3.516 516 H GLU 61 H GLU 61 -5.758 -8.951 4.629 517 HA GLU 61 HA GLU 61 -7.778 -7.018 4.348 518 HB2 GLU 61 2HB GLU 61 -5.642 -7.198 6.477 519 HB3 GLU 61 1HB GLU 61 -7.142 -6.301 6.537 520 HG2 GLU 61 2HG GLU 61 -6.873 -9.284 6.438 521 HG3 GLU 61 1HG GLU 61 -7.337 -8.310 7.836 522 H PHE 62 H PHE 62 -4.302 -6.891 4.611 523 HA PHE 62 HA PHE 62 -3.975 -4.129 4.479 524 HB2 PHE 62 2HB PHE 62 -2.246 -5.612 5.326 525 HB3 PHE 62 1HB PHE 62 -2.111 -6.386 3.754 526 HD1 PHE 62 1HD PHE 62 -1.650 -3.174 5.503 527 HD2 PHE 62 2HD PHE 62 -0.618 -5.586 2.167 528 HE1 PHE 62 1HE PHE 62 0.085 -1.559 4.879 529 HE2 PHE 62 2HE PHE 62 1.119 -3.978 1.535 530 HZ PHE 62 HZ PHE 62 1.471 -1.957 2.894 531 H TYR 63 H TYR 63 -3.718 -6.630 1.953 532 HA TYR 63 HA TYR 63 -3.151 -4.718 -0.042 533 HB2 TYR 63 2HB TYR 63 -3.793 -7.650 -0.284 534 HB3 TYR 63 1HB TYR 63 -3.466 -6.627 -1.681 535 HD1 TYR 63 1HD TYR 63 -1.234 -5.344 -1.705 536 HD2 TYR 63 2HD TYR 63 -2.006 -8.600 0.894 537 HE1 TYR 63 1HE TYR 63 1.193 -5.626 -1.355 538 HE2 TYR 63 2HE TYR 63 0.420 -8.898 1.267 539 HH TYR 63 HH TYR 63 2.506 -8.377 0.220 540 H ASP 64 H ASP 64 -6.190 -5.956 1.110 541 HA ASP 64 HA ASP 64 -7.656 -4.990 -1.139 542 HB2 ASP 64 2HB ASP 64 -8.770 -6.571 0.331 543 HB3 ASP 64 1HB ASP 64 -8.569 -5.484 1.705 544 H MET 65 H MET 65 -6.959 -3.676 2.044 545 HA MET 65 HA MET 65 -8.353 -1.278 1.596 546 HB2 MET 65 2HB MET 65 -6.286 -1.975 3.661 547 HB3 MET 65 1HB MET 65 -7.139 -0.435 3.637 548 HG2 MET 65 2HG MET 65 -9.274 -1.683 3.774 549 HG3 MET 65 1HG MET 65 -8.338 -3.165 3.905 550 HE1 MET 65 3HE MET 65 -6.563 -2.697 7.371 551 HE2 MET 65 1HE MET 65 -5.946 -2.348 5.757 552 HE3 MET 65 2HE MET 65 -6.877 -3.820 6.046 553 H ILE 66 H ILE 66 -4.886 -2.051 1.264 554 HA ILE 66 HA ILE 66 -4.304 0.636 0.672 555 HB ILE 66 HB ILE 66 -2.139 -0.042 -0.256 556 HG12 ILE 66 2HG1 ILE 66 -2.904 -2.872 0.350 557 HG13 ILE 66 1HG1 ILE 66 -3.002 -2.223 -1.286 558 HG21 ILE 66 1HG2 ILE 66 -2.835 -1.445 2.307 559 HG22 ILE 66 2HG2 ILE 66 -2.344 0.236 2.129 560 HG23 ILE 66 3HG2 ILE 66 -1.203 -1.060 1.761 561 HD11 ILE 66 3HD1 ILE 66 -0.591 -1.748 -1.188 562 HD12 ILE 66 1HD1 ILE 66 -0.944 -3.464 -0.987 563 HD13 ILE 66 2HD1 ILE 66 -0.527 -2.478 0.417 564 H ALA 67 H ALA 67 -5.156 -2.079 -1.434 565 HA ALA 67 HA ALA 67 -4.701 -0.833 -3.920 566 HB1 ALA 67 1HB ALA 67 -6.309 -2.392 -4.842 567 HB2 ALA 67 2HB ALA 67 -6.927 -2.744 -3.227 568 HB3 ALA 67 3HB ALA 67 -5.285 -3.218 -3.666 569 H GLU 68 H GLU 68 -7.457 -0.618 -1.761 570 HA GLU 68 HA GLU 68 -9.066 0.952 -3.461 571 HB2 GLU 68 2HB GLU 68 -9.856 -0.180 -1.382 572 HB3 GLU 68 1HB GLU 68 -8.923 0.967 -0.436 573 HG2 GLU 68 2HG GLU 68 -11.178 1.693 -0.408 574 HG3 GLU 68 1HG GLU 68 -10.269 2.781 -1.458 575 H ILE 69 H ILE 69 -6.968 1.828 -0.752 576 HA ILE 69 HA ILE 69 -7.137 4.602 -0.883 577 HB ILE 69 HB ILE 69 -4.903 2.853 0.164 578 HG12 ILE 69 2HG1 ILE 69 -7.136 4.282 1.613 579 HG13 ILE 69 1HG1 ILE 69 -7.137 2.573 1.192 580 HG21 ILE 69 1HG2 ILE 69 -4.162 4.793 1.478 581 HG22 ILE 69 2HG2 ILE 69 -5.359 5.800 0.664 582 HG23 ILE 69 3HG2 ILE 69 -4.028 5.100 -0.255 583 HD11 ILE 69 3HD1 ILE 69 -6.535 2.898 3.514 584 HD12 ILE 69 1HD1 ILE 69 -5.186 3.934 3.035 585 HD13 ILE 69 2HD1 ILE 69 -5.194 2.225 2.598 586 H LEU 70 H LEU 70 -4.766 2.474 -2.408 587 HA LEU 70 HA LEU 70 -3.010 4.346 -3.449 588 HB2 LEU 70 2HB LEU 70 -3.855 1.690 -4.590 589 HB3 LEU 70 1HB LEU 70 -2.475 2.613 -5.148 590 HG LEU 70 HG LEU 70 -2.765 1.603 -2.321 591 HD11 LEU 70 1HD1 LEU 70 -1.270 0.394 -4.628 592 HD12 LEU 70 2HD1 LEU 70 -2.662 -0.296 -3.794 593 HD13 LEU 70 3HD1 LEU 70 -1.128 -0.109 -2.945 594 HD21 LEU 70 3HD2 LEU 70 -0.405 2.702 -3.841 595 HD22 LEU 70 1HD2 LEU 70 -0.365 2.049 -2.206 596 HD23 LEU 70 2HD2 LEU 70 -1.283 3.514 -2.547 597 H GLN 71 H GLN 71 -5.874 3.010 -5.004 598 HA GLN 71 HA GLN 71 -5.604 4.579 -7.392 599 HB2 GLN 71 2HB GLN 71 -8.002 3.159 -6.212 600 HB3 GLN 71 1HB GLN 71 -7.887 3.756 -7.861 601 HG2 GLN 71 2HG GLN 71 -6.159 2.140 -8.382 602 HG3 GLN 71 1HG GLN 71 -6.035 1.634 -6.739 603 HE21 GLN 71 1HE2 GLN 71 -7.599 0.330 -5.862 604 HE22 GLN 71 2HE2 GLN 71 -8.740 -0.534 -6.859 605 H ARG 72 H ARG 72 -7.498 4.780 -4.517 606 HA ARG 72 HA ARG 72 -9.235 6.893 -4.949 607 HB2 ARG 72 2HB ARG 72 -9.116 5.079 -3.215 608 HB3 ARG 72 1HB ARG 72 -7.891 6.021 -2.424 609 HG2 ARG 72 2HG ARG 72 -9.461 7.667 -1.771 610 HG3 ARG 72 1HG ARG 72 -10.710 6.987 -2.839 611 HD2 ARG 72 2HD ARG 72 -10.564 4.851 -1.612 612 HD3 ARG 72 1HD ARG 72 -9.404 5.575 -0.514 613 HE ARG 72 HE ARG 72 -11.134 6.603 0.581 614 HH11 ARG 72 1HH1 ARG 72 -12.450 5.370 -2.466 615 HH12 ARG 72 2HH1 ARG 72 -14.035 5.275 -1.871 616 HH21 ARG 72 1HH2 ARG 72 -13.169 6.390 1.369 617 HH22 ARG 72 2HH2 ARG 72 -14.493 5.885 0.373 618 H TYR 73 H TYR 73 -5.988 6.872 -3.493 619 HA TYR 73 HA TYR 73 -6.110 9.753 -3.281 620 HB2 TYR 73 2HB TYR 73 -4.279 7.733 -2.054 621 HB3 TYR 73 1HB TYR 73 -3.893 9.446 -2.052 622 HD1 TYR 73 1HD TYR 73 -6.553 7.044 -1.003 623 HD2 TYR 73 2HD TYR 73 -4.742 10.842 -0.413 624 HE1 TYR 73 1HE TYR 73 -7.919 7.379 1.016 625 HE2 TYR 73 2HE TYR 73 -6.101 11.184 1.599 626 HH TYR 73 HH TYR 73 -7.860 8.674 3.034 627 H TYR 74 H TYR 74 -4.719 7.453 -5.448 628 HA TYR 74 HA TYR 74 -2.511 9.055 -6.157 629 HB2 TYR 74 2HB TYR 74 -1.971 7.274 -7.430 630 HB3 TYR 74 1HB TYR 74 -3.510 6.539 -7.032 631 HD1 TYR 74 1HD TYR 74 -1.694 8.553 -9.572 632 HD2 TYR 74 2HD TYR 74 -5.247 6.401 -8.654 633 HE1 TYR 74 1HE TYR 74 -2.371 8.659 -11.943 634 HE2 TYR 74 2HE TYR 74 -5.912 6.495 -10.995 635 HH TYR 74 HH TYR 74 -3.844 7.458 -13.503 636 H LYS 75 H LYS 75 -5.841 9.084 -7.118 637 HA LYS 75 HA LYS 75 -5.539 10.971 -9.221 638 HB2 LYS 75 2HB LYS 75 -7.926 10.346 -7.474 639 HB3 LYS 75 1HB LYS 75 -7.982 11.437 -8.845 640 HG2 LYS 75 2HG LYS 75 -7.283 8.506 -8.991 641 HG3 LYS 75 1HG LYS 75 -8.869 9.184 -9.350 642 HD2 LYS 75 2HD LYS 75 -7.771 10.585 -11.118 643 HD3 LYS 75 1HD LYS 75 -6.279 9.685 -10.826 644 HE2 LYS 75 2HE LYS 75 -7.531 7.586 -11.370 645 HE3 LYS 75 1HE LYS 75 -8.916 8.582 -11.788 646 HZ1 LYS 75 3HZ LYS 75 -7.595 9.651 -13.506 647 HZ2 LYS 75 1HZ LYS 75 -7.668 7.990 -13.747 648 HZ3 LYS 75 2HZ LYS 75 -6.262 8.665 -13.136 649 H LYS 76 H LYS 76 -5.518 11.311 -5.804 650 HA LYS 76 HA LYS 76 -6.066 14.182 -5.989 651 HB2 LYS 76 2HB LYS 76 -7.471 13.033 -4.397 652 HB3 LYS 76 1HB LYS 76 -6.070 12.343 -3.601 653 HG2 LYS 76 2HG LYS 76 -5.424 14.496 -2.732 654 HG3 LYS 76 1HG LYS 76 -6.669 15.300 -3.682 655 HD2 LYS 76 2HD LYS 76 -7.275 15.025 -1.271 656 HD3 LYS 76 1HD LYS 76 -8.419 14.270 -2.376 657 HE2 LYS 76 2HE LYS 76 -7.427 12.103 -1.959 658 HE3 LYS 76 1HE LYS 76 -6.199 12.816 -0.937 659 HZ1 LYS 76 3HZ LYS 76 -8.203 11.736 0.161 660 HZ2 LYS 76 1HZ LYS 76 -9.095 13.048 -0.311 661 HZ3 LYS 76 2HZ LYS 76 -7.798 13.232 0.774 662 H ILE 77 H ILE 77 -3.571 12.033 -4.568 663 HA ILE 77 HA ILE 77 -1.882 14.441 -4.421 664 HB ILE 77 HB ILE 77 -0.576 13.373 -2.602 665 HG12 ILE 77 2HG1 ILE 77 -2.811 11.328 -2.573 666 HG13 ILE 77 1HG1 ILE 77 -1.164 11.017 -3.102 667 HG21 ILE 77 1HG2 ILE 77 -2.296 15.003 -2.068 668 HG22 ILE 77 2HG2 ILE 77 -2.227 13.760 -0.823 669 HG23 ILE 77 3HG2 ILE 77 -3.516 13.729 -2.026 670 HD11 ILE 77 3HD1 ILE 77 -1.550 10.176 -0.852 671 HD12 ILE 77 1HD1 ILE 77 -2.007 11.794 -0.318 672 HD13 ILE 77 2HD1 ILE 77 -0.354 11.473 -0.844 673 H GLY 78 H GLY 78 -2.074 11.266 -5.671 674 HA2 GLY 78 2HA GLY 78 -0.725 10.881 -7.695 675 HA3 GLY 78 1HA GLY 78 0.611 11.665 -6.856 676 H ILE 79 H ILE 79 0.303 8.909 -8.043 677 HA ILE 79 HA ILE 79 -0.058 7.096 -5.932 678 HB ILE 79 HB ILE 79 -0.333 6.388 -8.309 679 HG12 ILE 79 2HG1 ILE 79 0.794 4.185 -8.151 680 HG13 ILE 79 1HG1 ILE 79 1.749 4.809 -6.811 681 HG21 ILE 79 1HG2 ILE 79 1.475 7.537 -9.376 682 HG22 ILE 79 2HG2 ILE 79 1.672 5.802 -9.658 683 HG23 ILE 79 3HG2 ILE 79 2.652 6.621 -8.450 684 HD11 ILE 79 3HD1 ILE 79 -0.113 3.407 -6.069 685 HD12 ILE 79 1HD1 ILE 79 -1.248 4.527 -6.816 686 HD13 ILE 79 2HD1 ILE 79 -0.245 5.054 -5.460 687 H GLU 80 H GLU 80 2.831 8.626 -7.214 688 HA GLU 80 HA GLU 80 4.865 7.257 -5.942 689 HB2 GLU 80 2HB GLU 80 4.765 10.276 -6.054 690 HB3 GLU 80 1HB GLU 80 6.192 9.268 -6.010 691 HG2 GLU 80 2HG GLU 80 6.117 9.999 -8.205 692 HG3 GLU 80 1HG GLU 80 5.348 8.416 -8.309 693 H ASN 81 H ASN 81 2.934 9.875 -4.793 694 HA ASN 81 HA ASN 81 4.067 10.120 -2.211 695 HB2 ASN 81 2HB ASN 81 1.591 11.207 -3.494 696 HB3 ASN 81 1HB ASN 81 1.885 11.499 -1.794 697 HD21 ASN 81 1HD2 ASN 81 1.782 13.376 -4.067 698 HD22 ASN 81 2HD2 ASN 81 3.312 14.164 -4.083 699 H VAL 82 H VAL 82 1.166 8.473 -3.395 700 HA VAL 82 HA VAL 82 0.224 7.791 -0.809 701 HB VAL 82 HB VAL 82 -0.317 6.147 -3.290 702 HG11 VAL 82 1HG1 VAL 82 -2.454 5.663 -2.136 703 HG12 VAL 82 2HG1 VAL 82 -1.884 6.596 -0.756 704 HG13 VAL 82 3HG1 VAL 82 -1.042 5.122 -1.223 705 HG21 VAL 82 3HG2 VAL 82 -0.798 8.479 -3.799 706 HG22 VAL 82 1HG2 VAL 82 -1.778 8.602 -2.339 707 HG23 VAL 82 2HG2 VAL 82 -2.291 7.549 -3.657 708 H ASN 83 H ASN 83 2.179 6.025 -3.163 709 HA ASN 83 HA ASN 83 2.466 3.613 -1.798 710 HB2 ASN 83 2HB ASN 83 4.347 5.025 -3.695 711 HB3 ASN 83 1HB ASN 83 4.676 3.422 -3.054 712 HD21 ASN 83 1HD2 ASN 83 4.250 4.280 -5.855 713 HD22 ASN 83 2HD2 ASN 83 2.908 3.327 -6.358 714 H GLN 84 H GLN 84 4.327 6.536 -1.587 715 HA GLN 84 HA GLN 84 6.322 5.625 0.199 716 HB2 GLN 84 2HB GLN 84 6.180 7.789 -1.245 717 HB3 GLN 84 1HB GLN 84 5.279 8.451 0.099 718 HG2 GLN 84 2HG GLN 84 8.128 7.463 0.180 719 HG3 GLN 84 1HG GLN 84 7.622 9.146 0.150 720 HE21 GLN 84 1HE2 GLN 84 8.170 6.352 2.056 721 HE22 GLN 84 2HE2 GLN 84 7.777 7.042 3.587 722 H LEU 85 H LEU 85 3.210 7.276 0.699 723 HA LEU 85 HA LEU 85 3.397 7.418 3.501 724 HB2 LEU 85 2HB LEU 85 0.939 7.397 1.759 725 HB3 LEU 85 1HB LEU 85 0.944 7.783 3.468 726 HG LEU 85 HG LEU 85 2.333 9.363 1.301 727 HD11 LEU 85 1HD1 LEU 85 0.668 11.064 1.781 728 HD12 LEU 85 2HD1 LEU 85 -0.078 9.990 2.962 729 HD13 LEU 85 3HD1 LEU 85 -0.096 9.562 1.248 730 HD21 LEU 85 3HD2 LEU 85 2.089 9.891 4.266 731 HD22 LEU 85 1HD2 LEU 85 2.748 11.015 3.077 732 HD23 LEU 85 2HD2 LEU 85 3.572 9.495 3.395 733 H ILE 86 H ILE 86 2.155 4.891 1.393 734 HA ILE 86 HA ILE 86 1.019 3.310 3.438 735 HB ILE 86 HB ILE 86 2.174 2.431 0.767 736 HG12 ILE 86 2HG1 ILE 86 0.320 3.980 0.470 737 HG13 ILE 86 1HG1 ILE 86 -0.179 2.358 0.004 738 HG21 ILE 86 1HG2 ILE 86 0.384 0.877 2.633 739 HG22 ILE 86 2HG2 ILE 86 2.071 0.524 2.265 740 HG23 ILE 86 3HG2 ILE 86 0.845 0.377 1.005 741 HD11 ILE 86 3HD1 ILE 86 -1.340 2.125 2.164 742 HD12 ILE 86 1HD1 ILE 86 -1.947 3.480 1.209 743 HD13 ILE 86 2HD1 ILE 86 -0.876 3.778 2.572 744 H LEU 87 H LEU 87 4.258 3.419 2.038 745 HA LEU 87 HA LEU 87 5.391 1.329 3.540 746 HB2 LEU 87 2HB LEU 87 6.670 3.816 2.419 747 HB3 LEU 87 1HB LEU 87 7.572 2.484 3.108 748 HG LEU 87 HG LEU 87 5.822 2.359 0.657 749 HD11 LEU 87 1HD1 LEU 87 7.917 1.990 -0.528 750 HD12 LEU 87 2HD1 LEU 87 8.810 2.212 0.978 751 HD13 LEU 87 3HD1 LEU 87 7.911 3.563 0.277 752 HD21 LEU 87 3HD2 LEU 87 7.519 0.266 1.987 753 HD22 LEU 87 1HD2 LEU 87 6.762 0.102 0.399 754 HD23 LEU 87 2HD2 LEU 87 5.755 0.266 1.836 755 H THR 88 H THR 88 4.985 4.703 4.208 756 HA THR 88 HA THR 88 6.362 4.831 6.647 757 HB THR 88 HB THR 88 4.004 6.487 5.695 758 HG1 THR 88 1HG THR 88 5.592 6.646 4.129 759 HG21 THR 88 3HG2 THR 88 4.568 6.859 8.069 760 HG22 THR 88 1HG2 THR 88 4.989 8.263 7.091 761 HG23 THR 88 2HG2 THR 88 6.250 7.151 7.626 762 H THR 89 H THR 89 3.130 3.826 5.800 763 HA THR 89 HA THR 89 1.981 3.829 8.402 764 HB THR 89 HB THR 89 1.116 2.317 5.923 765 HG1 THR 89 1HG THR 89 1.349 4.640 5.617 766 HG21 THR 89 3HG2 THR 89 -0.064 1.594 7.984 767 HG22 THR 89 1HG2 THR 89 -1.149 2.481 6.916 768 HG23 THR 89 2HG2 THR 89 -0.470 3.272 8.331 769 H ILE 90 H ILE 90 3.762 1.462 6.504 770 HA ILE 90 HA ILE 90 3.125 -0.624 8.434 771 HB ILE 90 HB ILE 90 4.342 -2.176 6.975 772 HG12 ILE 90 2HG1 ILE 90 4.769 0.225 5.182 773 HG13 ILE 90 1HG1 ILE 90 6.030 -0.566 6.114 774 HG21 ILE 90 1HG2 ILE 90 2.358 -0.433 5.538 775 HG22 ILE 90 2HG2 ILE 90 1.981 -1.785 6.605 776 HG23 ILE 90 3HG2 ILE 90 2.802 -2.072 5.071 777 HD11 ILE 90 3HD1 ILE 90 6.108 -1.219 3.786 778 HD12 ILE 90 1HD1 ILE 90 4.442 -1.797 3.876 779 HD13 ILE 90 2HD1 ILE 90 5.705 -2.600 4.813 780 H LYS 91 H LYS 91 5.413 1.736 8.101 781 HA LYS 91 HA LYS 91 7.424 0.113 9.398 782 HB2 LYS 91 2HB LYS 91 7.644 2.787 8.080 783 HB3 LYS 91 1HB LYS 91 8.885 2.147 9.147 784 HG2 LYS 91 2HG LYS 91 9.059 0.162 7.644 785 HG3 LYS 91 1HG LYS 91 7.938 0.960 6.543 786 HD2 LYS 91 2HD LYS 91 10.294 1.276 5.877 787 HD3 LYS 91 1HD LYS 91 9.497 2.807 6.242 788 HE2 LYS 91 2HE LYS 91 10.548 2.907 8.411 789 HE3 LYS 91 1HE LYS 91 11.213 1.287 8.215 790 HZ1 LYS 91 3HZ LYS 91 12.673 2.107 6.535 791 HZ2 LYS 91 1HZ LYS 91 12.797 3.077 7.895 792 HZ3 LYS 91 2HZ LYS 91 11.960 3.646 6.551 793 H LEU 92 H LEU 92 7.759 0.162 11.418 794 HA LEU 92 HA LEU 92 6.734 2.261 13.094 795 HB2 LEU 92 2HB LEU 92 8.577 -0.086 13.634 796 HB3 LEU 92 1HB LEU 92 8.238 1.118 14.852 797 HG LEU 92 HG LEU 92 5.826 0.467 14.764 798 HD11 LEU 92 1HD1 LEU 92 5.159 -1.615 13.728 799 HD12 LEU 92 2HD1 LEU 92 6.771 -1.816 13.049 800 HD13 LEU 92 3HD1 LEU 92 5.748 -0.483 12.509 801 HD21 LEU 92 3HD2 LEU 92 7.776 -1.729 15.398 802 HD22 LEU 92 1HD2 LEU 92 6.113 -1.630 15.976 803 HD23 LEU 92 2HD2 LEU 92 7.291 -0.413 16.468 804 H GLU 93 H GLU 93 8.021 3.814 14.114 805 HA GLU 93 HA GLU 93 9.610 5.156 12.379 806 HB2 GLU 93 2HB GLU 93 8.432 6.379 13.990 807 HB3 GLU 93 1HB GLU 93 9.094 5.482 15.323 808 HG2 GLU 93 2HG GLU 93 10.880 7.246 13.711 809 HG3 GLU 93 1HG GLU 93 9.755 7.965 14.865 810 H HIS 94 H HIS 94 11.313 4.202 15.404 811 HA HIS 94 HA HIS 94 13.377 3.026 13.679 812 HB2 HIS 94 2HB HIS 94 14.000 5.247 15.645 813 HB3 HIS 94 1HB HIS 94 15.225 4.206 14.945 814 HD1 HIS 94 1HD HIS 94 13.348 7.242 14.394 815 HD2 HIS 94 2HD HIS 94 15.466 4.573 12.026 816 HE1 HIS 94 1HE HIS 94 13.783 8.459 12.213 817 HE2 HIS 94 2HE HIS 94 14.910 6.760 10.749 818 H HIS 95 H HIS 95 11.464 2.584 16.212 819 HA HIS 95 HA HIS 95 13.443 1.132 17.785 820 HB2 HIS 95 2HB HIS 95 10.511 1.636 18.417 821 HB3 HIS 95 1HB HIS 95 11.669 0.847 19.473 822 HD1 HIS 95 1HD HIS 95 10.099 3.984 19.018 823 HD2 HIS 95 2HD HIS 95 13.936 2.795 20.050 824 HE1 HIS 95 1HE HIS 95 11.127 5.954 20.167 825 HE2 HIS 95 2HE HIS 95 13.482 5.274 20.646 826 H HIS 96 H HIS 96 13.835 -0.630 16.619 827 HA HIS 96 HA HIS 96 11.558 -2.423 16.092 828 HB2 HIS 96 2HB HIS 96 14.044 -2.049 14.396 829 HB3 HIS 96 1HB HIS 96 12.938 -3.393 14.221 830 HD1 HIS 96 1HD HIS 96 11.216 -3.076 12.528 831 HD2 HIS 96 2HD HIS 96 12.640 0.555 13.929 832 HE1 HIS 96 1HE HIS 96 10.139 -1.318 11.076 833 HE2 HIS 96 2HE HIS 96 10.836 0.865 12.103 834 H HIS 97 H HIS 97 15.112 -2.518 16.191 835 HA HIS 97 HA HIS 97 15.079 -5.126 17.281 836 HB2 HIS 97 2HB HIS 97 17.534 -4.915 17.615 837 HB3 HIS 97 1HB HIS 97 17.042 -4.477 15.994 838 HD1 HIS 97 1HD HIS 97 17.792 -2.217 15.168 839 HD2 HIS 97 2HD HIS 97 18.310 -2.656 19.264 840 HE1 HIS 97 1HE HIS 97 19.206 -0.273 15.883 841 HE2 HIS 97 2HE HIS 97 19.378 -0.482 18.383 842 H HIS 98 H HIS 98 15.058 -1.984 18.736 843 HA HIS 98 HA HIS 98 14.713 -3.449 21.223 844 HB2 HIS 98 2HB HIS 98 16.807 -1.999 21.228 845 HB3 HIS 98 1HB HIS 98 15.740 -0.603 21.077 846 HD1 HIS 98 1HD HIS 98 16.904 -3.176 23.508 847 HD2 HIS 98 2HD HIS 98 14.266 0.028 23.406 848 HE1 HIS 98 1HE HIS 98 16.288 -2.742 25.886 849 HE2 HIS 98 2HE HIS 98 14.341 -1.206 25.661 850 H HIS 99 H HIS 99 12.643 -3.689 20.909 851 HA HIS 99 HA HIS 99 10.957 -1.368 21.295 852 HB2 HIS 99 2HB HIS 99 11.030 -1.814 18.822 853 HB3 HIS 99 1HB HIS 99 10.482 -3.452 19.130 854 HD1 HIS 99 1HD HIS 99 8.011 -3.787 19.048 855 HD2 HIS 99 2HD HIS 99 9.031 0.196 19.628 856 HE1 HIS 99 1HE HIS 99 5.855 -2.523 18.966 857 HE2 HIS 99 2HE HIS 99 6.489 -0.152 19.543 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -3.868 16.687 2.834 2 H2 MET 1 2HT MET 1 -2.462 16.351 1.978 3 H3 MET 1 3HT MET 1 -3.030 17.920 2.033 4 HA MET 1 HA MET 1 -1.125 17.591 3.465 5 HB2 MET 1 2HB MET 1 -2.769 19.273 4.165 6 HB3 MET 1 1HB MET 1 -3.712 18.040 4.984 7 HG2 MET 1 2HG MET 1 -1.815 17.624 6.489 8 HG3 MET 1 1HG MET 1 -0.937 18.949 5.726 9 HE1 MET 1 2HE MET 1 -1.859 20.416 9.227 10 HE2 MET 1 3HE MET 1 -0.565 20.035 8.092 11 HE3 MET 1 1HE MET 1 -1.458 18.733 8.875 12 H SER 2 H SER 2 -3.903 15.827 4.861 13 HA SER 2 HA SER 2 -1.957 13.976 5.990 14 HB2 SER 2 2HB SER 2 -4.777 14.541 6.910 15 HB3 SER 2 1HB SER 2 -3.533 13.647 7.775 16 HG SER 2 HG SER 2 -2.308 15.698 7.737 17 H ILE 3 H ILE 3 -2.266 11.829 5.527 18 HA ILE 3 HA ILE 3 -4.330 11.178 3.578 19 HB ILE 3 HB ILE 3 -2.037 10.471 3.055 20 HG12 ILE 3 2HG1 ILE 3 -3.677 8.011 3.706 21 HG13 ILE 3 1HG1 ILE 3 -3.969 9.033 2.310 22 HG21 ILE 3 1HG2 ILE 3 -0.887 8.736 4.385 23 HG22 ILE 3 2HG2 ILE 3 -2.158 8.867 5.595 24 HG23 ILE 3 3HG2 ILE 3 -1.119 10.252 5.255 25 HD11 ILE 3 3HD1 ILE 3 -2.729 7.035 1.702 26 HD12 ILE 3 1HD1 ILE 3 -1.475 7.432 2.878 27 HD13 ILE 3 2HD1 ILE 3 -1.724 8.467 1.471 28 H LEU 4 H LEU 4 -4.037 11.315 6.770 29 HA LEU 4 HA LEU 4 -5.279 8.922 7.676 30 HB2 LEU 4 2HB LEU 4 -4.856 11.604 8.970 31 HB3 LEU 4 1HB LEU 4 -5.664 10.294 9.797 32 HG LEU 4 HG LEU 4 -2.822 10.155 8.774 33 HD11 LEU 4 1HD1 LEU 4 -2.176 10.411 11.120 34 HD12 LEU 4 2HD1 LEU 4 -3.868 10.649 11.561 35 HD13 LEU 4 3HD1 LEU 4 -3.046 11.830 10.540 36 HD21 LEU 4 3HD2 LEU 4 -2.682 8.183 10.213 37 HD22 LEU 4 1HD2 LEU 4 -3.927 7.977 8.983 38 HD23 LEU 4 2HD2 LEU 4 -4.382 8.368 10.639 39 H GLU 5 H GLU 5 -6.625 10.984 5.681 40 HA GLU 5 HA GLU 5 -9.124 11.581 6.955 41 HB2 GLU 5 2HB GLU 5 -8.489 11.516 4.008 42 HB3 GLU 5 1HB GLU 5 -9.868 12.280 4.760 43 HG2 GLU 5 2HG GLU 5 -8.253 13.820 5.901 44 HG3 GLU 5 1HG GLU 5 -7.001 13.133 4.860 45 H ASP 6 H ASP 6 -7.721 8.891 5.408 46 HA ASP 6 HA ASP 6 -10.219 7.866 4.401 47 HB2 ASP 6 2HB ASP 6 -8.057 7.662 3.136 48 HB3 ASP 6 1HB ASP 6 -7.537 6.509 4.357 49 HA PRO 7 HA PRO 7 -11.032 5.381 8.059 50 HB2 PRO 7 2HB PRO 7 -12.784 3.762 6.368 51 HB3 PRO 7 1HB PRO 7 -13.203 4.789 7.735 52 HG2 PRO 7 2HG PRO 7 -13.868 5.432 5.203 53 HG3 PRO 7 1HG PRO 7 -13.473 6.658 6.417 54 HD2 PRO 7 2HD PRO 7 -11.791 5.579 4.200 55 HD3 PRO 7 1HD PRO 7 -11.974 7.245 4.804 56 H GLU 8 H GLU 8 -10.196 3.893 4.950 57 HA GLU 8 HA GLU 8 -9.801 1.325 6.158 58 HB2 GLU 8 2HB GLU 8 -8.945 2.286 3.416 59 HB3 GLU 8 1HB GLU 8 -9.065 0.612 3.956 60 HG2 GLU 8 2HG GLU 8 -11.317 2.560 3.523 61 HG3 GLU 8 1HG GLU 8 -10.931 1.148 2.548 62 H PHE 9 H PHE 9 -7.946 4.058 5.164 63 HA PHE 9 HA PHE 9 -5.356 3.030 5.508 64 HB2 PHE 9 2HB PHE 9 -5.838 5.195 4.398 65 HB3 PHE 9 1HB PHE 9 -6.246 5.882 5.967 66 HD1 PHE 9 2HD PHE 9 -3.514 4.467 3.944 67 HD2 PHE 9 1HD PHE 9 -4.573 6.646 7.435 68 HE1 PHE 9 2HE PHE 9 -1.156 5.047 4.290 69 HE2 PHE 9 1HE PHE 9 -2.214 7.228 7.793 70 HZ PHE 9 HZ PHE 9 -0.503 6.426 6.218 71 H VAL 10 H VAL 10 -7.455 4.603 7.845 72 HA VAL 10 HA VAL 10 -5.566 4.446 9.927 73 HB VAL 10 HB VAL 10 -7.588 5.958 10.030 74 HG11 VAL 10 1HG1 VAL 10 -9.322 4.461 9.337 75 HG12 VAL 10 2HG1 VAL 10 -9.691 5.131 10.928 76 HG13 VAL 10 3HG1 VAL 10 -9.091 3.479 10.783 77 HG21 VAL 10 3HG2 VAL 10 -6.225 5.631 11.996 78 HG22 VAL 10 1HG2 VAL 10 -7.146 4.190 12.430 79 HG23 VAL 10 2HG2 VAL 10 -7.922 5.774 12.459 80 H LYS 11 H LYS 11 -7.944 2.154 8.757 81 HA LYS 11 HA LYS 11 -7.622 0.217 10.791 82 HB2 LYS 11 2HB LYS 11 -8.240 -0.213 7.862 83 HB3 LYS 11 1HB LYS 11 -8.392 -1.438 9.110 84 HG2 LYS 11 2HG LYS 11 -10.092 -0.076 10.216 85 HG3 LYS 11 1HG LYS 11 -9.954 1.124 8.926 86 HD2 LYS 11 2HD LYS 11 -10.610 -0.613 7.297 87 HD3 LYS 11 1HD LYS 11 -10.820 -1.754 8.626 88 HE2 LYS 11 2HE LYS 11 -12.964 -0.848 8.014 89 HE3 LYS 11 1HE LYS 11 -12.510 -0.240 9.604 90 HZ1 LYS 11 3HZ LYS 11 -11.734 1.826 8.469 91 HZ2 LYS 11 1HZ LYS 11 -13.396 1.529 8.306 92 HZ3 LYS 11 2HZ LYS 11 -12.369 1.203 7.020 93 H LEU 12 H LEU 12 -5.787 0.921 7.878 94 HA LEU 12 HA LEU 12 -4.052 -1.291 7.946 95 HB2 LEU 12 2HB LEU 12 -3.450 1.491 6.916 96 HB3 LEU 12 1HB LEU 12 -2.521 0.052 6.599 97 HG LEU 12 HG LEU 12 -5.366 0.456 5.711 98 HD11 LEU 12 1HD1 LEU 12 -3.832 1.987 4.597 99 HD12 LEU 12 2HD1 LEU 12 -4.383 0.702 3.513 100 HD13 LEU 12 3HD1 LEU 12 -2.768 0.631 4.216 101 HD21 LEU 12 3HD2 LEU 12 -4.951 -1.501 4.339 102 HD22 LEU 12 1HD2 LEU 12 -4.735 -1.889 6.046 103 HD23 LEU 12 2HD2 LEU 12 -3.327 -1.647 5.011 104 H ARG 13 H ARG 13 -3.916 1.822 9.550 105 HA ARG 13 HA ARG 13 -1.273 1.512 10.534 106 HB2 ARG 13 2HB ARG 13 -2.562 3.697 10.424 107 HB3 ARG 13 1HB ARG 13 -3.468 3.154 11.828 108 HG2 ARG 13 2HG ARG 13 -1.755 4.634 12.578 109 HG3 ARG 13 1HG ARG 13 -1.308 3.000 13.077 110 HD2 ARG 13 2HD ARG 13 0.128 2.871 11.013 111 HD3 ARG 13 1HD ARG 13 -0.214 4.580 10.755 112 HE ARG 13 HE ARG 13 0.754 4.206 13.345 113 HH11 ARG 13 1HH1 ARG 13 1.831 4.573 10.035 114 HH12 ARG 13 2HH1 ARG 13 3.502 4.521 10.372 115 HH21 ARG 13 1HH2 ARG 13 3.047 4.233 13.881 116 HH22 ARG 13 2HH2 ARG 13 4.205 4.339 12.608 117 H GLN 14 H GLN 14 -4.407 0.598 11.719 118 HA GLN 14 HA GLN 14 -3.566 -0.323 14.290 119 HB2 GLN 14 2HB GLN 14 -6.057 -0.930 12.682 120 HB3 GLN 14 1HB GLN 14 -5.836 -1.344 14.375 121 HG2 GLN 14 2HG GLN 14 -5.739 0.974 14.996 122 HG3 GLN 14 1HG GLN 14 -5.741 1.468 13.307 123 HE21 GLN 14 1HE2 GLN 14 -7.624 1.438 12.188 124 HE22 GLN 14 2HE2 GLN 14 -9.188 1.270 12.899 125 H PHE 15 H PHE 15 -3.888 -1.706 11.135 126 HA PHE 15 HA PHE 15 -3.482 -4.483 11.811 127 HB2 PHE 15 2HB PHE 15 -4.608 -3.581 9.735 128 HB3 PHE 15 1HB PHE 15 -3.044 -3.006 9.201 129 HD1 PHE 15 2HD PHE 15 -5.147 -5.940 9.755 130 HD2 PHE 15 1HD PHE 15 -1.407 -4.536 8.288 131 HE1 PHE 15 2HE PHE 15 -4.786 -8.093 8.627 132 HE2 PHE 15 1HE PHE 15 -1.045 -6.687 7.154 133 HZ PHE 15 HZ PHE 15 -2.736 -8.467 7.330 134 H LYS 16 H LYS 16 -1.538 -1.757 10.919 135 HA LYS 16 HA LYS 16 0.559 -1.161 11.134 136 HB2 LYS 16 2HB LYS 16 0.608 -2.333 13.325 137 HB3 LYS 16 1HB LYS 16 1.122 -3.800 12.504 138 HG2 LYS 16 2HG LYS 16 3.164 -2.710 11.778 139 HG3 LYS 16 1HG LYS 16 2.647 -1.210 12.542 140 HD2 LYS 16 2HD LYS 16 2.628 -2.402 14.728 141 HD3 LYS 16 1HD LYS 16 3.298 -3.818 13.918 142 HE2 LYS 16 2HE LYS 16 5.255 -2.550 13.241 143 HE3 LYS 16 1HE LYS 16 4.585 -1.088 13.945 144 HZ1 LYS 16 3HZ LYS 16 4.712 -2.208 16.137 145 HZ2 LYS 16 1HZ LYS 16 6.201 -1.993 15.373 146 HZ3 LYS 16 2HZ LYS 16 5.502 -3.519 15.399 147 H GLY 17 H GLY 17 0.804 -4.627 10.497 148 HA2 GLY 17 2HA GLY 17 1.245 -4.680 7.867 149 HA3 GLY 17 1HA GLY 17 2.787 -4.061 8.459 150 H LYS 18 H LYS 18 0.889 -6.747 7.891 151 HA LYS 18 HA LYS 18 2.718 -8.496 9.366 152 HB2 LYS 18 2HB LYS 18 -0.095 -8.960 8.349 153 HB3 LYS 18 1HB LYS 18 0.880 -10.168 9.180 154 HG2 LYS 18 2HG LYS 18 0.893 -8.922 11.184 155 HG3 LYS 18 1HG LYS 18 0.233 -7.506 10.378 156 HD2 LYS 18 2HD LYS 18 -1.474 -8.622 11.733 157 HD3 LYS 18 1HD LYS 18 -1.889 -8.713 10.033 158 HE2 LYS 18 2HE LYS 18 -2.282 -10.860 11.179 159 HE3 LYS 18 1HE LYS 18 -1.028 -11.018 9.951 160 HZ1 LYS 18 3HZ LYS 18 0.641 -10.940 11.644 161 HZ2 LYS 18 1HZ LYS 18 -0.458 -12.129 12.044 162 HZ3 LYS 18 2HZ LYS 18 -0.474 -10.641 12.859 163 H VAL 19 H VAL 19 2.954 -7.114 6.855 164 HA VAL 19 HA VAL 19 3.016 -9.190 4.773 165 HB VAL 19 HB VAL 19 3.052 -7.246 3.197 166 HG11 VAL 19 1HG1 VAL 19 0.742 -7.229 5.128 167 HG12 VAL 19 2HG1 VAL 19 0.927 -8.313 3.751 168 HG13 VAL 19 3HG1 VAL 19 0.720 -6.580 3.489 169 HG21 VAL 19 3HG2 VAL 19 2.445 -5.019 4.074 170 HG22 VAL 19 1HG2 VAL 19 4.027 -5.576 4.632 171 HG23 VAL 19 2HG2 VAL 19 2.630 -5.642 5.714 172 H ASN 20 H ASN 20 4.885 -8.974 3.289 173 HA ASN 20 HA ASN 20 7.296 -8.320 4.698 174 HB2 ASN 20 2HB ASN 20 6.752 -9.476 1.975 175 HB3 ASN 20 1HB ASN 20 8.363 -8.922 2.405 176 HD21 ASN 20 1HD2 ASN 20 5.918 -11.297 2.964 177 HD22 ASN 20 2HD2 ASN 20 6.903 -12.381 3.886 178 H PHE 21 H PHE 21 8.189 -6.420 4.750 179 HA PHE 21 HA PHE 21 7.202 -4.121 3.555 180 HB2 PHE 21 2HB PHE 21 8.623 -3.944 5.499 181 HB3 PHE 21 1HB PHE 21 9.979 -4.669 4.637 182 HD1 PHE 21 2HD PHE 21 7.795 -1.685 4.754 183 HD2 PHE 21 1HD PHE 21 11.466 -3.333 3.388 184 HE1 PHE 21 2HE PHE 21 8.525 0.546 4.039 185 HE2 PHE 21 1HE PHE 21 12.205 -1.101 2.666 186 HZ PHE 21 HZ PHE 21 10.730 0.843 2.988 187 H ASN 22 H ASN 22 9.958 -6.085 2.538 188 HA ASN 22 HA ASN 22 10.750 -4.528 0.357 189 HB2 ASN 22 2HB ASN 22 11.082 -7.458 0.937 190 HB3 ASN 22 1HB ASN 22 11.699 -6.736 -0.546 191 HD21 ASN 22 1HD2 ASN 22 13.109 -7.994 1.646 192 HD22 ASN 22 2HD2 ASN 22 14.220 -6.826 2.244 193 H LEU 23 H LEU 23 8.257 -6.951 0.655 194 HA LEU 23 HA LEU 23 7.955 -7.005 -2.166 195 HB2 LEU 23 2HB LEU 23 7.463 -9.033 -0.926 196 HB3 LEU 23 1HB LEU 23 6.177 -8.213 -0.061 197 HG LEU 23 HG LEU 23 4.836 -8.043 -2.064 198 HD11 LEU 23 1HD1 LEU 23 6.573 -7.608 -3.694 199 HD12 LEU 23 2HD1 LEU 23 5.627 -9.012 -4.201 200 HD13 LEU 23 3HD1 LEU 23 7.220 -9.228 -3.474 201 HD21 LEU 23 3HD2 LEU 23 4.477 -10.367 -2.567 202 HD22 LEU 23 1HD2 LEU 23 4.788 -10.164 -0.845 203 HD23 LEU 23 2HD2 LEU 23 6.059 -10.777 -1.908 204 H VAL 24 H VAL 24 6.180 -5.512 0.518 205 HA VAL 24 HA VAL 24 4.140 -4.384 -1.043 206 HB VAL 24 HB VAL 24 5.435 -3.172 1.421 207 HG11 VAL 24 1HG1 VAL 24 2.735 -2.619 0.180 208 HG12 VAL 24 2HG1 VAL 24 4.109 -1.517 0.189 209 HG13 VAL 24 3HG1 VAL 24 3.318 -1.958 1.705 210 HG21 VAL 24 3HG2 VAL 24 4.588 -5.400 1.810 211 HG22 VAL 24 1HG2 VAL 24 3.026 -4.939 1.130 212 HG23 VAL 24 2HG2 VAL 24 3.597 -4.186 2.620 213 H MET 25 H MET 25 7.335 -3.150 -0.225 214 HA MET 25 HA MET 25 7.203 -0.703 -1.563 215 HB2 MET 25 2HB MET 25 8.988 -1.285 0.020 216 HB3 MET 25 1HB MET 25 9.570 -2.518 -1.082 217 HG2 MET 25 2HG MET 25 10.252 -0.845 -2.669 218 HG3 MET 25 1HG MET 25 9.540 0.429 -1.678 219 HE1 MET 25 3HE MET 25 12.321 -2.351 -1.842 220 HE2 MET 25 1HE MET 25 11.543 -2.693 -0.298 221 HE3 MET 25 2HE MET 25 13.195 -2.078 -0.332 222 H GLN 26 H GLN 26 8.005 -3.926 -2.703 223 HA GLN 26 HA GLN 26 8.631 -3.132 -5.356 224 HB2 GLN 26 2HB GLN 26 9.526 -5.195 -4.484 225 HB3 GLN 26 1HB GLN 26 7.913 -5.814 -4.178 226 HG2 GLN 26 2HG GLN 26 7.469 -5.880 -6.570 227 HG3 GLN 26 1HG GLN 26 9.068 -5.222 -6.893 228 HE21 GLN 26 1HE2 GLN 26 9.607 -7.028 -8.104 229 HE22 GLN 26 2HE2 GLN 26 9.967 -8.531 -7.367 230 H ILE 27 H ILE 27 5.693 -4.297 -3.768 231 HA ILE 27 HA ILE 27 4.009 -4.610 -5.983 232 HB ILE 27 HB ILE 27 3.298 -3.574 -3.216 233 HG12 ILE 27 2HG1 ILE 27 4.246 -5.834 -3.135 234 HG13 ILE 27 1HG1 ILE 27 2.547 -5.855 -2.697 235 HG21 ILE 27 1HG2 ILE 27 0.977 -4.229 -3.664 236 HG22 ILE 27 2HG2 ILE 27 1.423 -4.609 -5.327 237 HG23 ILE 27 3HG2 ILE 27 1.544 -2.952 -4.743 238 HD11 ILE 27 3HD1 ILE 27 3.723 -6.699 -5.339 239 HD12 ILE 27 1HD1 ILE 27 2.005 -6.696 -4.928 240 HD13 ILE 27 2HD1 ILE 27 3.114 -7.753 -4.061 241 H LEU 28 H LEU 28 4.616 -1.811 -3.976 242 HA LEU 28 HA LEU 28 2.954 0.033 -5.289 243 HB2 LEU 28 2HB LEU 28 5.475 0.539 -3.719 244 HB3 LEU 28 1HB LEU 28 4.202 1.698 -4.039 245 HG LEU 28 HG LEU 28 3.892 -0.803 -2.376 246 HD11 LEU 28 1HD1 LEU 28 5.320 0.786 -1.281 247 HD12 LEU 28 2HD1 LEU 28 3.756 0.694 -0.471 248 HD13 LEU 28 3HD1 LEU 28 4.126 2.060 -1.521 249 HD21 LEU 28 3HD2 LEU 28 1.790 -0.164 -3.433 250 HD22 LEU 28 1HD2 LEU 28 1.991 1.488 -2.842 251 HD23 LEU 28 2HD2 LEU 28 1.740 0.167 -1.701 252 H ASP 29 H ASP 29 6.246 -0.935 -5.749 253 HA ASP 29 HA ASP 29 7.114 1.034 -7.671 254 HB2 ASP 29 2HB ASP 29 8.538 -0.448 -6.182 255 HB3 ASP 29 1HB ASP 29 8.046 -1.774 -7.179 256 H GLU 30 H GLU 30 5.948 -2.230 -7.817 257 HA GLU 30 HA GLU 30 6.173 -2.519 -10.622 258 HB2 GLU 30 2HB GLU 30 6.049 -4.347 -8.752 259 HB3 GLU 30 1HB GLU 30 4.310 -4.203 -8.969 260 HG2 GLU 30 2HG GLU 30 4.587 -4.776 -11.361 261 HG3 GLU 30 1HG GLU 30 6.315 -4.962 -11.072 262 H ILE 31 H ILE 31 3.402 -1.668 -8.514 263 HA ILE 31 HA ILE 31 1.570 -1.488 -10.715 264 HB ILE 31 HB ILE 31 0.065 -0.178 -9.273 265 HG12 ILE 31 2HG1 ILE 31 2.277 -0.215 -7.214 266 HG13 ILE 31 1HG1 ILE 31 1.789 1.194 -8.141 267 HG21 ILE 31 1HG2 ILE 31 -0.052 -2.547 -8.994 268 HG22 ILE 31 2HG2 ILE 31 -0.228 -1.789 -7.405 269 HG23 ILE 31 3HG2 ILE 31 1.302 -2.521 -7.868 270 HD11 ILE 31 3HD1 ILE 31 0.091 -0.302 -6.166 271 HD12 ILE 31 1HD1 ILE 31 -0.411 1.115 -7.090 272 HD13 ILE 31 2HD1 ILE 31 0.882 1.256 -5.895 273 H GLU 32 H GLU 32 3.768 0.795 -9.177 274 HA GLU 32 HA GLU 32 3.028 3.090 -10.485 275 HB2 GLU 32 2HB GLU 32 4.586 3.249 -8.692 276 HB3 GLU 32 1HB GLU 32 5.720 2.166 -9.485 277 HG2 GLU 32 2HG GLU 32 6.126 3.774 -11.188 278 HG3 GLU 32 1HG GLU 32 4.989 4.927 -10.467 279 H LEU 33 H LEU 33 5.324 0.552 -11.500 280 HA LEU 33 HA LEU 33 6.149 1.930 -13.811 281 HB2 LEU 33 2HB LEU 33 7.243 -0.121 -14.556 282 HB3 LEU 33 1HB LEU 33 7.572 0.196 -12.876 283 HG LEU 33 HG LEU 33 5.666 -1.547 -12.459 284 HD11 LEU 33 1HD1 LEU 33 4.904 -1.793 -14.730 285 HD12 LEU 33 2HD1 LEU 33 5.550 -3.318 -14.124 286 HD13 LEU 33 3HD1 LEU 33 6.506 -2.335 -15.235 287 HD21 LEU 33 3HD2 LEU 33 8.417 -2.312 -13.406 288 HD22 LEU 33 1HD2 LEU 33 7.328 -3.372 -12.510 289 HD23 LEU 33 2HD2 LEU 33 7.932 -1.898 -11.762 290 H ASP 34 H ASP 34 3.470 -0.210 -13.275 291 HA ASP 34 HA ASP 34 2.834 -0.385 -16.067 292 HB2 ASP 34 2HB ASP 34 2.071 -2.113 -14.451 293 HB3 ASP 34 1HB ASP 34 1.007 -0.907 -13.723 294 H LEU 35 H LEU 35 1.559 1.398 -13.310 295 HA LEU 35 HA LEU 35 -0.454 2.837 -14.554 296 HB2 LEU 35 2HB LEU 35 -0.237 2.719 -12.159 297 HB3 LEU 35 1HB LEU 35 1.312 3.523 -12.213 298 HG LEU 35 HG LEU 35 0.228 5.605 -12.890 299 HD11 LEU 35 1HD1 LEU 35 -1.648 4.786 -14.115 300 HD12 LEU 35 2HD1 LEU 35 -2.244 5.769 -12.772 301 HD13 LEU 35 3HD1 LEU 35 -2.308 4.007 -12.685 302 HD21 LEU 35 3HD2 LEU 35 -0.988 4.337 -10.447 303 HD22 LEU 35 1HD2 LEU 35 -0.926 6.067 -10.786 304 HD23 LEU 35 2HD2 LEU 35 0.569 5.161 -10.536 305 H ARG 36 H ARG 36 2.953 3.531 -14.234 306 HA ARG 36 HA ARG 36 3.003 6.056 -15.450 307 HB2 ARG 36 2HB ARG 36 4.845 5.080 -14.123 308 HB3 ARG 36 1HB ARG 36 5.085 3.855 -15.349 309 HG2 ARG 36 2HG ARG 36 5.851 5.537 -16.913 310 HG3 ARG 36 1HG ARG 36 5.522 6.811 -15.731 311 HD2 ARG 36 2HD ARG 36 7.900 6.229 -15.727 312 HD3 ARG 36 1HD ARG 36 7.143 5.815 -14.192 313 HE ARG 36 HE ARG 36 7.309 3.696 -16.152 314 HH11 ARG 36 1HH1 ARG 36 8.867 5.189 -13.323 315 HH12 ARG 36 2HH1 ARG 36 9.779 3.806 -12.924 316 HH21 ARG 36 1HH2 ARG 36 8.631 1.818 -15.605 317 HH22 ARG 36 2HH2 ARG 36 9.654 1.869 -14.245 318 H GLY 37 H GLY 37 1.864 6.191 -17.301 319 HA2 GLY 37 2HA GLY 37 2.479 5.912 -19.769 320 HA3 GLY 37 1HA GLY 37 2.281 4.199 -19.414 321 H SER 38 H SER 38 0.073 5.023 -17.431 322 HA SER 38 HA SER 38 -2.027 5.956 -19.217 323 HB2 SER 38 2HB SER 38 -3.448 4.007 -18.621 324 HB3 SER 38 1HB SER 38 -1.994 3.484 -19.472 325 HG SER 38 HG SER 38 -1.455 2.380 -17.778 326 H ASP 39 H ASP 39 -4.135 5.383 -17.345 327 HA ASP 39 HA ASP 39 -3.124 6.438 -14.796 328 HB2 ASP 39 2HB ASP 39 -4.883 8.008 -14.543 329 HB3 ASP 39 1HB ASP 39 -4.342 8.231 -16.198 330 H ASN 40 H ASN 40 -4.022 3.841 -16.050 331 HA ASN 40 HA ASN 40 -6.453 3.222 -14.588 332 HB2 ASN 40 2HB ASN 40 -4.875 1.615 -16.608 333 HB3 ASN 40 1HB ASN 40 -6.417 1.127 -15.907 334 HD21 ASN 40 1HD2 ASN 40 -8.292 2.119 -16.617 335 HD22 ASN 40 2HD2 ASN 40 -8.340 3.151 -17.985 336 H ILE 41 H ILE 41 -4.950 3.619 -12.714 337 HA ILE 41 HA ILE 41 -2.963 1.780 -11.961 338 HB ILE 41 HB ILE 41 -3.108 3.933 -10.842 339 HG12 ILE 41 2HG1 ILE 41 -3.634 1.678 -8.886 340 HG13 ILE 41 1HG1 ILE 41 -2.070 2.088 -9.572 341 HG21 ILE 41 1HG2 ILE 41 -5.440 4.317 -10.902 342 HG22 ILE 41 2HG2 ILE 41 -4.898 4.430 -9.225 343 HG23 ILE 41 3HG2 ILE 41 -5.751 2.987 -9.792 344 HD11 ILE 41 3HD1 ILE 41 -2.250 2.900 -7.319 345 HD12 ILE 41 1HD1 ILE 41 -3.721 3.790 -7.723 346 HD13 ILE 41 2HD1 ILE 41 -2.185 4.262 -8.446 347 H LYS 42 H LYS 42 -6.408 1.669 -11.647 348 HA LYS 42 HA LYS 42 -6.554 -0.384 -9.733 349 HB2 LYS 42 2HB LYS 42 -8.852 -0.768 -10.550 350 HB3 LYS 42 1HB LYS 42 -8.513 0.916 -10.187 351 HG2 LYS 42 2HG LYS 42 -8.304 1.394 -12.566 352 HG3 LYS 42 1HG LYS 42 -8.578 -0.314 -12.937 353 HD2 LYS 42 2HD LYS 42 -10.768 -0.176 -11.833 354 HD3 LYS 42 1HD LYS 42 -10.488 1.534 -11.532 355 HE2 LYS 42 2HE LYS 42 -10.463 2.001 -13.897 356 HE3 LYS 42 1HE LYS 42 -10.565 0.275 -14.264 357 HZ1 LYS 42 3HZ LYS 42 -12.722 1.429 -14.440 358 HZ2 LYS 42 1HZ LYS 42 -12.655 1.788 -12.797 359 HZ3 LYS 42 2HZ LYS 42 -12.736 0.191 -13.304 360 H THR 43 H THR 43 -6.122 -0.447 -13.215 361 HA THR 43 HA THR 43 -6.470 -3.255 -13.381 362 HB THR 43 HB THR 43 -5.105 -1.494 -15.410 363 HG1 THR 43 1HG THR 43 -7.521 -1.357 -16.078 364 HG21 THR 43 3HG2 THR 43 -7.002 -3.849 -15.586 365 HG22 THR 43 1HG2 THR 43 -5.261 -3.909 -15.857 366 HG23 THR 43 2HG2 THR 43 -6.300 -2.999 -16.958 367 H SER 44 H SER 44 -3.821 -0.925 -13.040 368 HA SER 44 HA SER 44 -1.632 -2.579 -13.421 369 HB2 SER 44 2HB SER 44 -1.898 -0.306 -11.442 370 HB3 SER 44 1HB SER 44 -0.406 -0.893 -12.185 371 HG SER 44 HG SER 44 -1.296 -0.262 -14.228 372 H ILE 45 H ILE 45 -3.584 -1.900 -10.571 373 HA ILE 45 HA ILE 45 -2.311 -3.350 -8.576 374 HB ILE 45 HB ILE 45 -5.280 -3.010 -9.066 375 HG12 ILE 45 2HG1 ILE 45 -4.142 -0.872 -8.757 376 HG13 ILE 45 1HG1 ILE 45 -5.189 -1.216 -7.390 377 HG21 ILE 45 1HG2 ILE 45 -3.939 -3.923 -6.533 378 HG22 ILE 45 2HG2 ILE 45 -4.973 -4.885 -7.589 379 HG23 ILE 45 3HG2 ILE 45 -5.648 -3.517 -6.700 380 HD11 ILE 45 3HD1 ILE 45 -3.209 -1.917 -6.098 381 HD12 ILE 45 1HD1 ILE 45 -3.111 -0.242 -6.651 382 HD13 ILE 45 2HD1 ILE 45 -2.200 -1.496 -7.483 383 H ILE 46 H ILE 46 -4.725 -4.426 -10.908 384 HA ILE 46 HA ILE 46 -5.115 -7.014 -10.043 385 HB ILE 46 HB ILE 46 -5.242 -5.993 -12.893 386 HG12 ILE 46 2HG1 ILE 46 -7.407 -6.283 -10.792 387 HG13 ILE 46 1HG1 ILE 46 -6.674 -4.768 -11.297 388 HG21 ILE 46 1HG2 ILE 46 -6.459 -8.487 -11.682 389 HG22 ILE 46 2HG2 ILE 46 -5.140 -8.438 -12.851 390 HG23 ILE 46 3HG2 ILE 46 -6.751 -7.894 -13.319 391 HD11 ILE 46 3HD1 ILE 46 -8.852 -5.068 -12.318 392 HD12 ILE 46 1HD1 ILE 46 -8.332 -6.598 -13.021 393 HD13 ILE 46 2HD1 ILE 46 -7.589 -5.089 -13.548 394 H TYR 47 H TYR 47 -2.703 -5.895 -12.433 395 HA TYR 47 HA TYR 47 -1.759 -8.471 -13.110 396 HB2 TYR 47 2HB TYR 47 0.013 -6.047 -13.081 397 HB3 TYR 47 1HB TYR 47 0.116 -7.451 -14.122 398 HD1 TYR 47 1HD TYR 47 -2.225 -7.755 -15.564 399 HD2 TYR 47 2HD TYR 47 -0.578 -4.176 -14.022 400 HE1 TYR 47 1HE TYR 47 -3.400 -6.461 -17.307 401 HE2 TYR 47 2HE TYR 47 -1.718 -2.882 -15.698 402 HH TYR 47 HH TYR 47 -2.632 -3.193 -17.886 403 H VAL 48 H VAL 48 -0.504 -6.026 -10.913 404 HA VAL 48 HA VAL 48 1.797 -7.380 -10.083 405 HB VAL 48 HB VAL 48 0.224 -5.239 -8.633 406 HG11 VAL 48 1HG1 VAL 48 1.801 -6.356 -7.139 407 HG12 VAL 48 2HG1 VAL 48 2.334 -4.714 -7.510 408 HG13 VAL 48 3HG1 VAL 48 3.100 -6.091 -8.303 409 HG21 VAL 48 3HG2 VAL 48 0.864 -4.572 -10.877 410 HG22 VAL 48 1HG2 VAL 48 2.532 -5.042 -10.549 411 HG23 VAL 48 2HG2 VAL 48 1.814 -3.695 -9.673 412 H TYR 49 H TYR 49 -1.400 -7.155 -8.597 413 HA TYR 49 HA TYR 49 -0.714 -8.672 -6.356 414 HB2 TYR 49 2HB TYR 49 -3.369 -7.956 -7.579 415 HB3 TYR 49 1HB TYR 49 -3.258 -8.960 -6.141 416 HD1 TYR 49 1HD TYR 49 -1.032 -6.075 -6.866 417 HD2 TYR 49 2HD TYR 49 -4.345 -7.485 -4.631 418 HE1 TYR 49 1HE TYR 49 -0.950 -4.045 -5.500 419 HE2 TYR 49 2HE TYR 49 -4.282 -5.445 -3.251 420 HH TYR 49 HH TYR 49 -2.397 -2.724 -4.094 421 H SER 50 H SER 50 -1.968 -9.562 -9.517 422 HA SER 50 HA SER 50 -2.437 -12.276 -8.811 423 HB2 SER 50 2HB SER 50 -2.049 -11.057 -11.553 424 HB3 SER 50 1HB SER 50 -2.765 -12.632 -11.202 425 HG SER 50 HG SER 50 -3.735 -10.059 -10.687 426 H SER 51 H SER 51 0.354 -10.484 -9.698 427 HA SER 51 HA SER 51 1.863 -12.822 -10.485 428 HB2 SER 51 2HB SER 51 2.139 -10.642 -11.676 429 HB3 SER 51 1HB SER 51 2.758 -9.933 -10.190 430 HG SER 51 HG SER 51 4.411 -11.724 -10.358 431 H HIS 52 H HIS 52 1.050 -11.320 -7.576 432 HA HIS 52 HA HIS 52 3.266 -12.678 -6.182 433 HB2 HIS 52 2HB HIS 52 2.359 -9.830 -5.590 434 HB3 HIS 52 1HB HIS 52 3.507 -10.737 -4.625 435 HD1 HIS 52 1HD HIS 52 5.981 -10.939 -5.606 436 HD2 HIS 52 2HD HIS 52 3.373 -8.673 -7.940 437 HE1 HIS 52 1HE HIS 52 7.419 -9.672 -7.210 438 HE2 HIS 52 2HE HIS 52 5.823 -8.290 -8.610 439 H LEU 53 H LEU 53 0.654 -13.539 -6.585 440 HA LEU 53 HA LEU 53 -1.432 -12.856 -4.951 441 HB2 LEU 53 2HB LEU 53 -0.656 -15.526 -6.031 442 HB3 LEU 53 1HB LEU 53 -2.150 -15.264 -5.163 443 HG LEU 53 HG LEU 53 -1.387 -13.773 -7.648 444 HD11 LEU 53 1HD1 LEU 53 -3.133 -16.216 -7.304 445 HD12 LEU 53 2HD1 LEU 53 -1.575 -16.161 -8.136 446 HD13 LEU 53 3HD1 LEU 53 -2.957 -15.292 -8.795 447 HD21 LEU 53 3HD2 LEU 53 -3.043 -12.609 -6.325 448 HD22 LEU 53 1HD2 LEU 53 -3.985 -14.093 -6.141 449 HD23 LEU 53 2HD2 LEU 53 -3.842 -13.339 -7.720 450 H ASP 54 H ASP 54 1.177 -14.971 -4.097 451 HA ASP 54 HA ASP 54 0.110 -16.271 -1.886 452 HB2 ASP 54 2HB ASP 54 2.235 -16.891 -2.949 453 HB3 ASP 54 1HB ASP 54 2.991 -15.447 -2.291 454 H GLU 55 H GLU 55 1.973 -13.236 -1.829 455 HA GLU 55 HA GLU 55 1.586 -12.802 0.993 456 HB2 GLU 55 2HB GLU 55 3.464 -11.853 -0.323 457 HB3 GLU 55 1HB GLU 55 2.320 -10.844 -1.181 458 HG2 GLU 55 2HG GLU 55 3.350 -9.450 0.420 459 HG3 GLU 55 1HG GLU 55 1.748 -9.788 1.046 460 H ILE 56 H ILE 56 -0.014 -11.870 -1.962 461 HA ILE 56 HA ILE 56 -1.606 -9.755 -1.017 462 HB ILE 56 HB ILE 56 -2.261 -11.661 -3.276 463 HG12 ILE 56 2HG1 ILE 56 -0.149 -10.629 -3.838 464 HG13 ILE 56 1HG1 ILE 56 -1.420 -9.835 -4.753 465 HG21 ILE 56 1HG2 ILE 56 -4.223 -10.437 -2.574 466 HG22 ILE 56 2HG2 ILE 56 -3.691 -9.879 -4.160 467 HG23 ILE 56 3HG2 ILE 56 -3.354 -8.909 -2.725 468 HD11 ILE 56 3HD1 ILE 56 0.209 -8.247 -3.934 469 HD12 ILE 56 1HD1 ILE 56 -0.135 -8.733 -2.274 470 HD13 ILE 56 2HD1 ILE 56 -1.385 -7.954 -3.243 471 H ARG 57 H ARG 57 -2.400 -13.188 -1.361 472 HA ARG 57 HA ARG 57 -4.969 -12.741 -0.157 473 HB2 ARG 57 2HB ARG 57 -5.280 -15.173 -0.300 474 HB3 ARG 57 1HB ARG 57 -4.790 -14.469 -1.832 475 HG2 ARG 57 2HG ARG 57 -2.463 -15.187 -1.321 476 HG3 ARG 57 1HG ARG 57 -3.102 -16.046 0.080 477 HD2 ARG 57 2HD ARG 57 -4.482 -17.414 -1.333 478 HD3 ARG 57 1HD ARG 57 -4.002 -16.479 -2.754 479 HE ARG 57 HE ARG 57 -2.153 -18.064 -1.140 480 HH11 ARG 57 1HH1 ARG 57 -3.386 -17.093 -4.309 481 HH12 ARG 57 2HH1 ARG 57 -2.124 -17.835 -5.174 482 HH21 ARG 57 1HH2 ARG 57 -0.443 -19.081 -2.340 483 HH22 ARG 57 2HH2 ARG 57 -0.396 -18.982 -4.033 484 H LYS 58 H LYS 58 -1.836 -13.570 0.982 485 HA LYS 58 HA LYS 58 -2.388 -14.736 3.461 486 HB2 LYS 58 2HB LYS 58 -0.164 -14.655 2.512 487 HB3 LYS 58 1HB LYS 58 -0.199 -12.906 2.507 488 HG2 LYS 58 2HG LYS 58 -0.297 -13.026 5.033 489 HG3 LYS 58 1HG LYS 58 0.078 -14.750 4.855 490 HD2 LYS 58 2HD LYS 58 2.122 -14.312 3.802 491 HD3 LYS 58 1HD LYS 58 1.709 -12.629 3.509 492 HE2 LYS 58 2HE LYS 58 1.666 -12.390 6.061 493 HE3 LYS 58 1HE LYS 58 2.515 -13.940 6.083 494 HZ1 LYS 58 3HZ LYS 58 4.264 -13.023 4.786 495 HZ2 LYS 58 1HZ LYS 58 4.003 -11.966 6.076 496 HZ3 LYS 58 2HZ LYS 58 3.405 -11.606 4.516 497 H ASN 59 H ASN 59 -2.096 -11.379 2.444 498 HA ASN 59 HA ASN 59 -3.507 -10.547 4.890 499 HB2 ASN 59 2HB ASN 59 -1.298 -9.049 3.458 500 HB3 ASN 59 1HB ASN 59 -2.283 -8.382 4.747 501 HD21 ASN 59 1HD2 ASN 59 0.379 -10.442 3.946 502 HD22 ASN 59 2HD2 ASN 59 0.838 -10.726 5.578 503 H LYS 60 H LYS 60 -5.057 -11.191 3.043 504 HA LYS 60 HA LYS 60 -5.393 -9.512 0.823 505 HB2 LYS 60 2HB LYS 60 -7.529 -10.501 0.456 506 HB3 LYS 60 1HB LYS 60 -6.465 -11.765 1.052 507 HG2 LYS 60 2HG LYS 60 -7.478 -11.474 3.292 508 HG3 LYS 60 1HG LYS 60 -8.585 -10.296 2.594 509 HD2 LYS 60 2HD LYS 60 -9.349 -12.082 1.004 510 HD3 LYS 60 1HD LYS 60 -8.314 -13.186 1.924 511 HE2 LYS 60 2HE LYS 60 -10.611 -11.619 3.080 512 HE3 LYS 60 1HE LYS 60 -10.668 -13.322 2.637 513 HZ1 LYS 60 3HZ LYS 60 -10.274 -13.090 4.987 514 HZ2 LYS 60 1HZ LYS 60 -8.957 -12.084 4.719 515 HZ3 LYS 60 2HZ LYS 60 -8.878 -13.714 4.270 516 H GLU 61 H GLU 61 -6.422 -9.167 4.079 517 HA GLU 61 HA GLU 61 -8.411 -7.206 3.827 518 HB2 GLU 61 2HB GLU 61 -6.454 -6.914 6.044 519 HB3 GLU 61 1HB GLU 61 -8.206 -6.854 6.027 520 HG2 GLU 61 2HG GLU 61 -6.520 -9.356 5.923 521 HG3 GLU 61 1HG GLU 61 -7.331 -8.747 7.362 522 H PHE 62 H PHE 62 -4.951 -6.974 4.405 523 HA PHE 62 HA PHE 62 -4.627 -4.192 4.393 524 HB2 PHE 62 2HB PHE 62 -2.959 -5.710 5.327 525 HB3 PHE 62 1HB PHE 62 -2.684 -6.421 3.747 526 HD1 PHE 62 1HD PHE 62 -2.190 -3.390 5.796 527 HD2 PHE 62 2HD PHE 62 -1.163 -5.426 2.201 528 HE1 PHE 62 1HE PHE 62 -0.361 -1.799 5.414 529 HE2 PHE 62 2HE PHE 62 0.668 -3.834 1.817 530 HZ PHE 62 HZ PHE 62 1.069 -2.020 3.417 531 H TYR 63 H TYR 63 -4.145 -6.606 1.868 532 HA TYR 63 HA TYR 63 -3.403 -4.681 -0.030 533 HB2 TYR 63 2HB TYR 63 -3.982 -7.602 -0.262 534 HB3 TYR 63 1HB TYR 63 -3.624 -6.621 -1.683 535 HD1 TYR 63 1HD TYR 63 -1.474 -5.287 -1.702 536 HD2 TYR 63 2HD TYR 63 -2.221 -8.389 1.103 537 HE1 TYR 63 1HE TYR 63 0.944 -5.431 -1.231 538 HE2 TYR 63 2HE TYR 63 0.181 -8.546 1.574 539 HH TYR 63 HH TYR 63 2.294 -8.008 0.464 540 H ASP 64 H ASP 64 -6.550 -5.985 0.772 541 HA ASP 64 HA ASP 64 -7.709 -5.000 -1.666 542 HB2 ASP 64 2HB ASP 64 -8.737 -6.807 -0.228 543 HB3 ASP 64 1HB ASP 64 -9.152 -5.560 0.938 544 H MET 65 H MET 65 -7.275 -3.826 1.602 545 HA MET 65 HA MET 65 -8.710 -1.440 1.203 546 HB2 MET 65 2HB MET 65 -6.709 -2.220 3.302 547 HB3 MET 65 1HB MET 65 -7.539 -0.666 3.306 548 HG2 MET 65 2HG MET 65 -9.700 -1.930 3.306 549 HG3 MET 65 1HG MET 65 -8.753 -3.393 3.484 550 HE1 MET 65 3HE MET 65 -7.540 -4.153 5.682 551 HE2 MET 65 1HE MET 65 -7.207 -3.078 7.039 552 HE3 MET 65 2HE MET 65 -6.482 -2.764 5.460 553 H ILE 66 H ILE 66 -5.179 -2.105 1.074 554 HA ILE 66 HA ILE 66 -4.644 0.591 0.496 555 HB ILE 66 HB ILE 66 -2.422 -0.028 -0.361 556 HG12 ILE 66 2HG1 ILE 66 -3.113 -2.858 0.294 557 HG13 ILE 66 1HG1 ILE 66 -3.149 -2.254 -1.363 558 HG21 ILE 66 1HG2 ILE 66 -2.682 0.318 1.989 559 HG22 ILE 66 2HG2 ILE 66 -1.516 -0.979 1.704 560 HG23 ILE 66 3HG2 ILE 66 -3.157 -1.365 2.221 561 HD11 ILE 66 3HD1 ILE 66 -1.061 -3.410 -0.929 562 HD12 ILE 66 1HD1 ILE 66 -0.762 -2.378 0.474 563 HD13 ILE 66 2HD1 ILE 66 -0.763 -1.685 -1.149 564 H ALA 67 H ALA 67 -5.356 -2.115 -1.655 565 HA ALA 67 HA ALA 67 -4.775 -0.932 -4.093 566 HB1 ALA 67 1HB ALA 67 -7.127 -2.719 -3.462 567 HB2 ALA 67 2HB ALA 67 -5.502 -3.266 -3.873 568 HB3 ALA 67 3HB ALA 67 -6.472 -2.402 -5.065 569 H GLU 68 H GLU 68 -7.588 -0.556 -2.071 570 HA GLU 68 HA GLU 68 -9.159 1.054 -3.799 571 HB2 GLU 68 2HB GLU 68 -9.977 -0.233 -1.843 572 HB3 GLU 68 1HB GLU 68 -9.102 0.855 -0.782 573 HG2 GLU 68 2HG GLU 68 -11.357 1.505 -0.735 574 HG3 GLU 68 1HG GLU 68 -10.499 2.705 -1.698 575 H ILE 69 H ILE 69 -7.192 1.800 -0.945 576 HA ILE 69 HA ILE 69 -7.379 4.583 -0.951 577 HB ILE 69 HB ILE 69 -5.133 2.847 0.098 578 HG12 ILE 69 2HG1 ILE 69 -7.521 3.998 1.540 579 HG13 ILE 69 1HG1 ILE 69 -7.418 2.344 0.949 580 HG21 ILE 69 1HG2 ILE 69 -5.854 5.704 0.802 581 HG22 ILE 69 2HG2 ILE 69 -4.416 5.189 -0.077 582 HG23 ILE 69 3HG2 ILE 69 -4.629 4.726 1.612 583 HD11 ILE 69 3HD1 ILE 69 -5.535 1.936 2.381 584 HD12 ILE 69 1HD1 ILE 69 -6.915 2.496 3.321 585 HD13 ILE 69 2HD1 ILE 69 -5.585 3.600 2.959 586 H LEU 70 H LEU 70 -4.965 2.483 -2.475 587 HA LEU 70 HA LEU 70 -3.195 4.424 -3.356 588 HB2 LEU 70 2HB LEU 70 -3.927 1.794 -4.641 589 HB3 LEU 70 1HB LEU 70 -2.584 2.794 -5.152 590 HG LEU 70 HG LEU 70 -2.829 1.593 -2.391 591 HD11 LEU 70 1HD1 LEU 70 -2.612 -0.171 -4.038 592 HD12 LEU 70 2HD1 LEU 70 -1.117 0.010 -3.119 593 HD13 LEU 70 3HD1 LEU 70 -1.230 0.654 -4.758 594 HD21 LEU 70 3HD2 LEU 70 -0.445 2.156 -2.235 595 HD22 LEU 70 1HD2 LEU 70 -1.447 3.590 -2.459 596 HD23 LEU 70 2HD2 LEU 70 -0.531 2.933 -3.814 597 H GLN 71 H GLN 71 -6.063 3.154 -5.009 598 HA GLN 71 HA GLN 71 -5.741 4.711 -7.365 599 HB2 GLN 71 2HB GLN 71 -8.328 3.724 -6.161 600 HB3 GLN 71 1HB GLN 71 -8.048 4.162 -7.839 601 HG2 GLN 71 2HG GLN 71 -6.518 2.280 -8.079 602 HG3 GLN 71 1HG GLN 71 -6.775 1.861 -6.390 603 HE21 GLN 71 1HE2 GLN 71 -7.594 -0.098 -6.802 604 HE22 GLN 71 2HE2 GLN 71 -9.133 -0.391 -7.534 605 H ARG 72 H ARG 72 -7.698 5.116 -4.456 606 HA ARG 72 HA ARG 72 -9.034 7.415 -5.013 607 HB2 ARG 72 2HB ARG 72 -9.522 5.760 -3.326 608 HB3 ARG 72 1HB ARG 72 -8.051 6.174 -2.477 609 HG2 ARG 72 2HG ARG 72 -8.939 8.335 -1.938 610 HG3 ARG 72 1HG ARG 72 -10.394 7.983 -2.883 611 HD2 ARG 72 2HD ARG 72 -9.449 6.373 -0.519 612 HD3 ARG 72 1HD ARG 72 -10.695 7.618 -0.491 613 HE ARG 72 HE ARG 72 -11.454 5.879 -2.454 614 HH11 ARG 72 1HH1 ARG 72 -10.757 5.423 1.023 615 HH12 ARG 72 2HH1 ARG 72 -11.986 4.274 1.225 616 HH21 ARG 72 1HH2 ARG 72 -13.111 4.316 -2.139 617 HH22 ARG 72 2HH2 ARG 72 -13.354 3.619 -0.600 618 H TYR 73 H TYR 73 -5.992 6.996 -3.175 619 HA TYR 73 HA TYR 73 -5.813 9.833 -2.951 620 HB2 TYR 73 2HB TYR 73 -4.272 7.637 -1.650 621 HB3 TYR 73 1HB TYR 73 -3.661 9.287 -1.634 622 HD1 TYR 73 2HD TYR 73 -6.744 7.347 -0.846 623 HD2 TYR 73 1HD TYR 73 -4.380 10.779 -0.033 624 HE1 TYR 73 2HE TYR 73 -8.274 7.967 0.963 625 HE2 TYR 73 1HE TYR 73 -5.915 11.416 1.772 626 HH TYR 73 HH TYR 73 -8.460 9.327 2.839 627 H TYR 74 H TYR 74 -4.435 7.540 -5.099 628 HA TYR 74 HA TYR 74 -2.237 9.185 -5.744 629 HB2 TYR 74 2HB TYR 74 -1.663 7.387 -6.982 630 HB3 TYR 74 1HB TYR 74 -3.225 6.669 -6.652 631 HD1 TYR 74 2HD TYR 74 -1.297 8.686 -9.070 632 HD2 TYR 74 1HD TYR 74 -4.908 6.596 -8.294 633 HE1 TYR 74 2HE TYR 74 -1.909 8.874 -11.432 634 HE2 TYR 74 1HE TYR 74 -5.526 6.781 -10.646 635 HH TYR 74 HH TYR 74 -3.344 7.938 -13.020 636 H LYS 75 H LYS 75 -5.563 9.145 -6.796 637 HA LYS 75 HA LYS 75 -5.017 11.346 -8.524 638 HB2 LYS 75 2HB LYS 75 -7.544 9.850 -7.938 639 HB3 LYS 75 1HB LYS 75 -7.639 11.425 -8.719 640 HG2 LYS 75 2HG LYS 75 -6.163 10.603 -10.536 641 HG3 LYS 75 1HG LYS 75 -6.123 9.015 -9.775 642 HD2 LYS 75 2HD LYS 75 -8.451 8.680 -10.188 643 HD3 LYS 75 1HD LYS 75 -8.680 10.361 -10.645 644 HE2 LYS 75 2HE LYS 75 -8.711 9.005 -12.653 645 HE3 LYS 75 1HE LYS 75 -7.254 9.972 -12.651 646 HZ1 LYS 75 3HZ LYS 75 -5.942 8.042 -12.171 647 HZ2 LYS 75 1HZ LYS 75 -6.986 7.650 -13.408 648 HZ3 LYS 75 2HZ LYS 75 -7.307 7.084 -11.862 649 H LYS 76 H LYS 76 -5.625 11.076 -5.261 650 HA LYS 76 HA LYS 76 -6.597 13.811 -5.034 651 HB2 LYS 76 2HB LYS 76 -7.474 12.232 -3.379 652 HB3 LYS 76 1HB LYS 76 -5.839 11.852 -2.848 653 HG2 LYS 76 2HG LYS 76 -5.551 14.176 -2.076 654 HG3 LYS 76 1HG LYS 76 -7.200 14.521 -2.563 655 HD2 LYS 76 2HD LYS 76 -6.547 12.367 -0.562 656 HD3 LYS 76 1HD LYS 76 -6.765 14.041 -0.078 657 HE2 LYS 76 2HE LYS 76 -9.045 13.982 -1.052 658 HE3 LYS 76 1HE LYS 76 -8.800 12.285 -1.457 659 HZ1 LYS 76 3HZ LYS 76 -10.042 12.697 0.622 660 HZ2 LYS 76 1HZ LYS 76 -8.666 13.339 1.343 661 HZ3 LYS 76 2HZ LYS 76 -8.723 11.713 0.856 662 H ILE 77 H ILE 77 -3.593 12.090 -4.082 663 HA ILE 77 HA ILE 77 -2.314 14.741 -4.017 664 HB ILE 77 HB ILE 77 -0.708 13.871 -2.310 665 HG12 ILE 77 2HG1 ILE 77 -2.669 11.564 -2.083 666 HG13 ILE 77 1HG1 ILE 77 -1.042 11.455 -2.733 667 HG21 ILE 77 1HG2 ILE 77 -2.554 15.304 -1.652 668 HG22 ILE 77 2HG2 ILE 77 -2.210 14.115 -0.398 669 HG23 ILE 77 3HG2 ILE 77 -3.599 13.894 -1.461 670 HD11 ILE 77 3HD1 ILE 77 -1.121 10.594 -0.478 671 HD12 ILE 77 1HD1 ILE 77 -1.781 12.121 0.111 672 HD13 ILE 77 2HD1 ILE 77 -0.140 12.055 -0.534 673 H GLY 78 H GLY 78 -1.949 11.385 -4.983 674 HA2 GLY 78 2HA GLY 78 -0.702 11.319 -7.189 675 HA3 GLY 78 1HA GLY 78 0.587 12.135 -6.305 676 H ILE 79 H ILE 79 0.336 9.422 -7.635 677 HA ILE 79 HA ILE 79 0.115 7.416 -5.695 678 HB ILE 79 HB ILE 79 -0.104 6.888 -8.117 679 HG12 ILE 79 2HG1 ILE 79 1.243 4.800 -8.196 680 HG13 ILE 79 1HG1 ILE 79 2.105 5.358 -6.765 681 HG21 ILE 79 1HG2 ILE 79 2.851 7.328 -8.281 682 HG22 ILE 79 2HG2 ILE 79 1.597 8.282 -9.075 683 HG23 ILE 79 3HG2 ILE 79 1.860 6.599 -9.534 684 HD11 ILE 79 3HD1 ILE 79 0.392 3.703 -6.287 685 HD12 ILE 79 1HD1 ILE 79 -0.839 4.799 -6.907 686 HD13 ILE 79 2HD1 ILE 79 0.081 5.235 -5.458 687 H GLU 80 H GLU 80 2.954 9.173 -6.799 688 HA GLU 80 HA GLU 80 4.952 7.667 -5.588 689 HB2 GLU 80 2HB GLU 80 4.925 10.669 -5.783 690 HB3 GLU 80 1HB GLU 80 6.336 9.650 -5.648 691 HG2 GLU 80 2HG GLU 80 6.401 10.057 -7.900 692 HG3 GLU 80 1HG GLU 80 5.320 8.666 -7.921 693 H ASN 81 H ASN 81 3.065 10.265 -4.352 694 HA ASN 81 HA ASN 81 4.243 10.382 -1.763 695 HB2 ASN 81 2HB ASN 81 1.655 11.463 -2.841 696 HB3 ASN 81 1HB ASN 81 2.004 11.577 -1.128 697 HD21 ASN 81 1HD2 ASN 81 2.727 12.799 -4.304 698 HD22 ASN 81 2HD2 ASN 81 3.761 14.059 -3.789 699 H VAL 82 H VAL 82 1.332 8.793 -2.971 700 HA VAL 82 HA VAL 82 0.404 7.875 -0.470 701 HB VAL 82 HB VAL 82 -0.072 6.501 -3.125 702 HG11 VAL 82 1HG1 VAL 82 -0.774 5.196 -1.190 703 HG12 VAL 82 2HG1 VAL 82 -2.181 5.773 -2.090 704 HG13 VAL 82 3HG1 VAL 82 -1.707 6.568 -0.590 705 HG21 VAL 82 3HG2 VAL 82 -0.605 8.851 -3.327 706 HG22 VAL 82 1HG2 VAL 82 -1.571 8.773 -1.856 707 HG23 VAL 82 2HG2 VAL 82 -2.084 7.887 -3.290 708 H ASN 83 H ASN 83 2.358 6.276 -2.936 709 HA ASN 83 HA ASN 83 2.604 3.784 -1.714 710 HB2 ASN 83 2HB ASN 83 4.522 5.223 -3.546 711 HB3 ASN 83 1HB ASN 83 4.794 3.578 -2.999 712 HD21 ASN 83 1HD2 ASN 83 4.500 4.415 -5.679 713 HD22 ASN 83 2HD2 ASN 83 3.085 3.640 -6.299 714 H GLN 84 H GLN 84 4.530 6.651 -1.328 715 HA GLN 84 HA GLN 84 6.493 5.550 0.379 716 HB2 GLN 84 2HB GLN 84 6.527 7.793 -0.883 717 HB3 GLN 84 1HB GLN 84 5.507 8.416 0.394 718 HG2 GLN 84 2HG GLN 84 8.316 7.352 0.758 719 HG3 GLN 84 1HG GLN 84 7.885 9.051 0.640 720 HE21 GLN 84 1HE2 GLN 84 8.016 6.274 2.619 721 HE22 GLN 84 2HE2 GLN 84 7.465 6.976 4.087 722 H LEU 85 H LEU 85 3.446 7.244 0.985 723 HA LEU 85 HA LEU 85 3.609 7.217 3.791 724 HB2 LEU 85 2HB LEU 85 1.189 7.410 2.013 725 HB3 LEU 85 1HB LEU 85 1.195 7.746 3.737 726 HG LEU 85 HG LEU 85 2.806 9.260 1.683 727 HD11 LEU 85 1HD1 LEU 85 1.245 11.072 2.026 728 HD12 LEU 85 2HD1 LEU 85 0.285 10.058 3.103 729 HD13 LEU 85 3HD1 LEU 85 0.429 9.643 1.393 730 HD21 LEU 85 3HD2 LEU 85 3.168 10.865 3.512 731 HD22 LEU 85 1HD2 LEU 85 3.859 9.286 3.879 732 HD23 LEU 85 2HD2 LEU 85 2.339 9.775 4.622 733 H ILE 86 H ILE 86 2.425 4.807 1.560 734 HA ILE 86 HA ILE 86 1.178 3.121 3.462 735 HB ILE 86 HB ILE 86 2.595 2.332 0.886 736 HG12 ILE 86 2HG1 ILE 86 0.758 3.876 0.435 737 HG13 ILE 86 1HG1 ILE 86 0.341 2.264 -0.121 738 HG21 ILE 86 1HG2 ILE 86 2.352 0.402 2.338 739 HG22 ILE 86 2HG2 ILE 86 1.267 0.267 0.953 740 HG23 ILE 86 3HG2 ILE 86 0.632 0.738 2.528 741 HD11 ILE 86 3HD1 ILE 86 -0.654 3.597 2.394 742 HD12 ILE 86 1HD1 ILE 86 -1.041 1.951 1.886 743 HD13 ILE 86 2HD1 ILE 86 -1.564 3.323 0.911 744 H LEU 87 H LEU 87 4.488 3.382 2.297 745 HA LEU 87 HA LEU 87 5.592 1.256 3.782 746 HB2 LEU 87 2HB LEU 87 6.909 3.792 2.811 747 HB3 LEU 87 1HB LEU 87 7.769 2.377 3.369 748 HG LEU 87 HG LEU 87 6.038 2.567 0.900 749 HD11 LEU 87 1HD1 LEU 87 8.125 2.218 -0.306 750 HD12 LEU 87 2HD1 LEU 87 9.012 2.259 1.216 751 HD13 LEU 87 3HD1 LEU 87 8.163 3.703 0.648 752 HD21 LEU 87 3HD2 LEU 87 6.848 0.297 0.409 753 HD22 LEU 87 1HD2 LEU 87 5.863 0.353 1.874 754 HD23 LEU 87 2HD2 LEU 87 7.620 0.252 1.996 755 H THR 88 H THR 88 5.144 4.668 4.459 756 HA THR 88 HA THR 88 6.353 4.803 6.954 757 HB THR 88 HB THR 88 4.000 6.361 5.850 758 HG1 THR 88 1HG THR 88 6.029 7.872 5.734 759 HG21 THR 88 3HG2 THR 88 5.869 7.056 8.135 760 HG22 THR 88 1HG2 THR 88 4.164 6.643 8.294 761 HG23 THR 88 2HG2 THR 88 4.641 8.126 7.462 762 H THR 89 H THR 89 3.185 3.610 6.028 763 HA THR 89 HA THR 89 2.124 3.577 8.669 764 HB THR 89 HB THR 89 1.097 2.078 6.221 765 HG1 THR 89 1HG THR 89 1.249 4.286 5.727 766 HG21 THR 89 3HG2 THR 89 0.049 1.417 8.387 767 HG22 THR 89 1HG2 THR 89 -1.086 2.281 7.349 768 HG23 THR 89 2HG2 THR 89 -0.332 3.113 8.695 769 H ILE 90 H ILE 90 3.675 1.187 6.601 770 HA ILE 90 HA ILE 90 3.224 -0.880 8.561 771 HB ILE 90 HB ILE 90 4.450 -2.394 7.016 772 HG12 ILE 90 2HG1 ILE 90 4.546 0.001 5.162 773 HG13 ILE 90 1HG1 ILE 90 5.938 -0.646 6.017 774 HG21 ILE 90 1HG2 ILE 90 2.753 -2.391 5.252 775 HG22 ILE 90 2HG2 ILE 90 2.234 -0.785 5.761 776 HG23 ILE 90 3HG2 ILE 90 2.045 -2.162 6.851 777 HD11 ILE 90 3HD1 ILE 90 5.915 -1.370 3.719 778 HD12 ILE 90 1HD1 ILE 90 4.309 -2.089 3.929 779 HD13 ILE 90 2HD1 ILE 90 5.702 -2.740 4.802 780 H LYS 91 H LYS 91 6.002 0.979 7.439 781 HA LYS 91 HA LYS 91 7.761 -0.628 9.153 782 HB2 LYS 91 2HB LYS 91 8.374 -0.357 6.816 783 HB3 LYS 91 1HB LYS 91 8.403 1.386 7.024 784 HG2 LYS 91 2HG LYS 91 10.211 1.132 8.667 785 HG3 LYS 91 1HG LYS 91 10.198 -0.607 8.381 786 HD2 LYS 91 2HD LYS 91 10.722 -0.237 6.047 787 HD3 LYS 91 1HD LYS 91 10.712 1.503 6.302 788 HE2 LYS 91 2HE LYS 91 12.507 1.238 7.976 789 HE3 LYS 91 1HE LYS 91 12.554 -0.482 7.602 790 HZ1 LYS 91 3HZ LYS 91 13.111 1.696 5.648 791 HZ2 LYS 91 1HZ LYS 91 13.230 0.032 5.350 792 HZ3 LYS 91 2HZ LYS 91 14.281 0.774 6.426 793 H LEU 92 H LEU 92 6.681 2.708 8.723 794 HA LEU 92 HA LEU 92 8.690 3.522 10.599 795 HB2 LEU 92 2HB LEU 92 8.276 4.872 8.570 796 HB3 LEU 92 1HB LEU 92 6.673 5.237 9.158 797 HG LEU 92 HG LEU 92 9.110 6.059 10.747 798 HD11 LEU 92 1HD1 LEU 92 7.800 7.604 8.510 799 HD12 LEU 92 2HD1 LEU 92 9.422 6.915 8.489 800 HD13 LEU 92 3HD1 LEU 92 9.033 8.216 9.611 801 HD21 LEU 92 3HD2 LEU 92 7.620 7.828 11.554 802 HD22 LEU 92 1HD2 LEU 92 6.905 6.242 11.837 803 HD23 LEU 92 2HD2 LEU 92 6.333 7.242 10.501 804 H GLU 93 H GLU 93 8.488 3.650 12.538 805 HA GLU 93 HA GLU 93 6.098 4.475 13.909 806 HB2 GLU 93 2HB GLU 93 6.205 2.495 15.454 807 HB3 GLU 93 1HB GLU 93 5.806 2.028 13.815 808 HG2 GLU 93 2HG GLU 93 8.094 1.261 13.474 809 HG3 GLU 93 1HG GLU 93 8.503 1.813 15.102 810 H HIS 94 H HIS 94 7.613 3.497 16.449 811 HA HIS 94 HA HIS 94 9.648 5.608 16.337 812 HB2 HIS 94 2HB HIS 94 8.352 4.200 18.685 813 HB3 HIS 94 1HB HIS 94 9.706 5.308 18.841 814 HD1 HIS 94 1HD HIS 94 6.046 5.182 18.496 815 HD2 HIS 94 2HD HIS 94 9.048 8.032 18.229 816 HE1 HIS 94 1HE HIS 94 4.886 7.395 18.644 817 HE2 HIS 94 2HE HIS 94 6.765 9.048 18.819 818 H HIS 95 H HIS 95 9.854 2.899 15.213 819 HA HIS 95 HA HIS 95 11.474 1.236 16.852 820 HB2 HIS 95 2HB HIS 95 10.164 0.882 14.439 821 HB3 HIS 95 1HB HIS 95 11.862 0.851 13.982 822 HD1 HIS 95 1HD HIS 95 9.280 -1.398 14.895 823 HD2 HIS 95 2HD HIS 95 13.301 -1.045 15.936 824 HE1 HIS 95 1HE HIS 95 9.962 -3.642 15.721 825 HE2 HIS 95 2HE HIS 95 12.374 -3.400 16.411 826 H HIS 96 H HIS 96 12.366 3.249 14.000 827 HA HIS 96 HA HIS 96 15.051 3.155 15.062 828 HB2 HIS 96 2HB HIS 96 15.889 4.117 12.924 829 HB3 HIS 96 1HB HIS 96 14.982 2.656 12.631 830 HD1 HIS 96 1HD HIS 96 12.835 2.895 11.176 831 HD2 HIS 96 2HD HIS 96 14.857 6.466 11.802 832 HE1 HIS 96 1HE HIS 96 11.918 4.494 9.481 833 HE2 HIS 96 2HE HIS 96 13.495 6.411 9.617 834 H HIS 97 H HIS 97 15.275 4.383 16.586 835 HA HIS 97 HA HIS 97 13.600 6.624 17.080 836 HB2 HIS 97 2HB HIS 97 14.563 4.949 18.759 837 HB3 HIS 97 1HB HIS 97 16.070 5.832 18.610 838 HD1 HIS 97 1HD HIS 97 12.938 5.754 20.456 839 HD2 HIS 97 2HD HIS 97 15.825 8.604 19.584 840 HE1 HIS 97 1HE HIS 97 12.612 7.572 22.133 841 HE2 HIS 97 2HE HIS 97 14.483 9.167 21.726 842 H HIS 98 H HIS 98 16.512 6.222 15.419 843 HA HIS 98 HA HIS 98 16.794 9.079 15.143 844 HB2 HIS 98 2HB HIS 98 19.231 9.050 15.494 845 HB3 HIS 98 1HB HIS 98 18.388 8.598 16.971 846 HD1 HIS 98 1HD HIS 98 20.662 7.212 14.273 847 HD2 HIS 98 2HD HIS 98 18.962 5.997 17.877 848 HE1 HIS 98 1HE HIS 98 21.845 5.124 14.908 849 HE2 HIS 98 2HE HIS 98 21.010 4.575 17.199 850 H HIS 99 H HIS 99 18.706 9.379 13.470 851 HA HIS 99 HA HIS 99 18.108 7.644 11.245 852 HB2 HIS 99 2HB HIS 99 19.853 10.119 11.470 853 HB3 HIS 99 1HB HIS 99 19.652 9.199 9.987 854 HD1 HIS 99 1HD HIS 99 18.222 11.962 11.843 855 HD2 HIS 99 2HD HIS 99 16.849 9.166 9.101 856 HE1 HIS 99 1HE HIS 99 16.085 12.888 10.961 857 HE2 HIS 99 2HE HIS 99 15.392 11.287 9.154 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -2.381 19.461 3.582 2 H2 MET 1 2HT MET 1 -1.255 18.305 4.149 3 H3 MET 1 3HT MET 1 -2.552 18.769 5.115 4 HA MET 1 HA MET 1 -4.104 17.811 3.683 5 HB2 MET 1 2HB MET 1 -1.673 17.053 2.038 6 HB3 MET 1 1HB MET 1 -3.261 16.354 1.798 7 HG2 MET 1 2HG MET 1 -2.859 18.042 0.145 8 HG3 MET 1 1HG MET 1 -4.131 18.590 1.235 9 HE1 MET 1 2HE MET 1 -2.418 21.936 0.246 10 HE2 MET 1 3HE MET 1 -3.931 21.041 0.369 11 HE3 MET 1 1HE MET 1 -2.698 20.533 -0.785 12 H SER 2 H SER 2 -4.796 15.911 4.506 13 HA SER 2 HA SER 2 -2.776 14.358 5.943 14 HB2 SER 2 2HB SER 2 -5.703 14.790 6.584 15 HB3 SER 2 1HB SER 2 -4.595 13.782 7.518 16 HG SER 2 HG SER 2 -4.084 16.536 7.023 17 H ILE 3 H ILE 3 -2.999 12.085 5.913 18 HA ILE 3 HA ILE 3 -4.810 11.120 3.849 19 HB ILE 3 HB ILE 3 -2.467 10.770 3.208 20 HG12 ILE 3 2HG1 ILE 3 -3.671 8.102 3.993 21 HG13 ILE 3 1HG1 ILE 3 -4.171 9.038 2.593 22 HG21 ILE 3 1HG2 ILE 3 -0.973 9.290 4.478 23 HG22 ILE 3 2HG2 ILE 3 -2.166 9.241 5.778 24 HG23 ILE 3 3HG2 ILE 3 -1.398 10.767 5.339 25 HD11 ILE 3 3HD1 ILE 3 -1.927 8.788 1.641 26 HD12 ILE 3 1HD1 ILE 3 -2.674 7.224 1.972 27 HD13 ILE 3 2HD1 ILE 3 -1.436 7.855 3.056 28 H LEU 4 H LEU 4 -4.228 11.219 7.127 29 HA LEU 4 HA LEU 4 -5.428 8.787 7.954 30 HB2 LEU 4 2HB LEU 4 -5.102 11.448 9.335 31 HB3 LEU 4 1HB LEU 4 -5.910 10.103 10.107 32 HG LEU 4 HG LEU 4 -3.037 9.999 9.157 33 HD11 LEU 4 1HD1 LEU 4 -4.133 10.488 11.921 34 HD12 LEU 4 2HD1 LEU 4 -3.334 11.696 10.913 35 HD13 LEU 4 3HD1 LEU 4 -2.432 10.298 11.499 36 HD21 LEU 4 3HD2 LEU 4 -2.919 8.050 10.616 37 HD22 LEU 4 1HD2 LEU 4 -4.152 7.820 9.380 38 HD23 LEU 4 2HD2 LEU 4 -4.622 8.235 11.026 39 H GLU 5 H GLU 5 -6.719 11.175 6.206 40 HA GLU 5 HA GLU 5 -9.374 11.331 7.257 41 HB2 GLU 5 2HB GLU 5 -8.280 11.984 4.515 42 HB3 GLU 5 1HB GLU 5 -9.884 12.405 5.089 43 HG2 GLU 5 2HG GLU 5 -8.915 13.836 6.795 44 HG3 GLU 5 1HG GLU 5 -7.297 13.391 6.259 45 H ASP 6 H ASP 6 -7.601 8.985 5.641 46 HA ASP 6 HA ASP 6 -9.825 7.858 4.163 47 HB2 ASP 6 2HB ASP 6 -7.520 7.900 3.187 48 HB3 ASP 6 1HB ASP 6 -7.008 6.833 4.485 49 HA PRO 7 HA PRO 7 -10.863 5.359 7.760 50 HB2 PRO 7 2HB PRO 7 -12.457 3.732 5.930 51 HB3 PRO 7 1HB PRO 7 -12.985 4.738 7.281 52 HG2 PRO 7 2HG PRO 7 -13.468 5.391 4.702 53 HG3 PRO 7 1HG PRO 7 -13.218 6.608 5.966 54 HD2 PRO 7 2HD PRO 7 -11.322 5.650 3.858 55 HD3 PRO 7 1HD PRO 7 -11.591 7.278 4.527 56 H GLU 8 H GLU 8 -9.732 3.940 4.742 57 HA GLU 8 HA GLU 8 -9.455 1.327 5.903 58 HB2 GLU 8 2HB GLU 8 -8.267 2.370 3.333 59 HB3 GLU 8 1HB GLU 8 -8.499 0.684 3.788 60 HG2 GLU 8 2HG GLU 8 -10.588 2.719 3.087 61 HG3 GLU 8 1HG GLU 8 -10.151 1.274 2.187 62 H PHE 9 H PHE 9 -7.551 4.066 5.108 63 HA PHE 9 HA PHE 9 -4.986 3.163 5.660 64 HB2 PHE 9 2HB PHE 9 -5.548 5.291 4.547 65 HB3 PHE 9 1HB PHE 9 -6.119 5.918 6.087 66 HD1 PHE 9 1HD PHE 9 -3.189 4.920 4.144 67 HD2 PHE 9 2HD PHE 9 -4.593 6.690 7.733 68 HE1 PHE 9 1HE PHE 9 -0.930 5.757 4.610 69 HE2 PHE 9 2HE PHE 9 -2.328 7.530 8.215 70 HZ PHE 9 HZ PHE 9 -0.497 7.067 6.648 71 H VAL 10 H VAL 10 -7.378 4.610 7.865 72 HA VAL 10 HA VAL 10 -5.608 4.572 10.068 73 HB VAL 10 HB VAL 10 -7.651 6.018 10.061 74 HG11 VAL 10 1HG1 VAL 10 -9.150 3.478 10.597 75 HG12 VAL 10 2HG1 VAL 10 -9.287 4.510 9.173 76 HG13 VAL 10 3HG1 VAL 10 -9.808 5.106 10.750 77 HG21 VAL 10 3HG2 VAL 10 -6.478 5.649 12.144 78 HG22 VAL 10 1HG2 VAL 10 -7.411 4.181 12.435 79 HG23 VAL 10 2HG2 VAL 10 -8.215 5.750 12.440 80 H LYS 11 H LYS 11 -7.828 2.180 8.823 81 HA LYS 11 HA LYS 11 -7.513 0.365 10.964 82 HB2 LYS 11 2HB LYS 11 -8.279 -0.110 8.083 83 HB3 LYS 11 1HB LYS 11 -8.308 -1.369 9.311 84 HG2 LYS 11 2HG LYS 11 -9.953 -0.092 10.593 85 HG3 LYS 11 1HG LYS 11 -9.905 1.187 9.386 86 HD2 LYS 11 2HD LYS 11 -10.763 -1.660 8.838 87 HD3 LYS 11 1HD LYS 11 -11.867 -0.321 9.152 88 HE2 LYS 11 2HE LYS 11 -10.957 0.855 7.203 89 HE3 LYS 11 1HE LYS 11 -9.912 -0.530 6.871 90 HZ1 LYS 11 3HZ LYS 11 -11.916 -1.875 6.523 91 HZ2 LYS 11 1HZ LYS 11 -11.835 -0.548 5.499 92 HZ3 LYS 11 2HZ LYS 11 -12.884 -0.509 6.803 93 H LEU 12 H LEU 12 -5.666 0.898 8.012 94 HA LEU 12 HA LEU 12 -3.872 -1.269 8.270 95 HB2 LEU 12 2HB LEU 12 -3.369 1.473 7.098 96 HB3 LEU 12 1HB LEU 12 -2.297 0.106 6.933 97 HG LEU 12 HG LEU 12 -5.103 0.221 5.832 98 HD11 LEU 12 1HD1 LEU 12 -4.001 0.380 3.691 99 HD12 LEU 12 2HD1 LEU 12 -2.425 0.462 4.482 100 HD13 LEU 12 3HD1 LEU 12 -3.600 1.766 4.702 101 HD21 LEU 12 3HD2 LEU 12 -4.453 -1.799 4.641 102 HD22 LEU 12 1HD2 LEU 12 -4.346 -2.046 6.386 103 HD23 LEU 12 2HD2 LEU 12 -2.884 -1.771 5.437 104 H ARG 13 H ARG 13 -3.857 1.965 9.570 105 HA ARG 13 HA ARG 13 -1.377 1.999 10.862 106 HB2 ARG 13 2HB ARG 13 -3.993 3.336 11.489 107 HB3 ARG 13 1HB ARG 13 -2.571 3.590 12.486 108 HG2 ARG 13 2HG ARG 13 -2.693 4.157 9.533 109 HG3 ARG 13 1HG ARG 13 -2.959 5.363 10.800 110 HD2 ARG 13 2HD ARG 13 -0.754 4.835 11.717 111 HD3 ARG 13 1HD ARG 13 -0.454 3.733 10.379 112 HE ARG 13 HE ARG 13 -0.984 5.977 9.104 113 HH11 ARG 13 1HH1 ARG 13 1.052 5.317 11.921 114 HH12 ARG 13 2HH1 ARG 13 2.142 6.588 11.623 115 HH21 ARG 13 1HH2 ARG 13 0.513 7.817 8.729 116 HH22 ARG 13 2HH2 ARG 13 1.786 8.055 9.825 117 H GLN 14 H GLN 14 -4.443 0.680 11.876 118 HA GLN 14 HA GLN 14 -3.490 0.015 14.490 119 HB2 GLN 14 2HB GLN 14 -6.044 -0.743 13.079 120 HB3 GLN 14 1HB GLN 14 -5.707 -1.031 14.783 121 HG2 GLN 14 2HG GLN 14 -5.477 1.376 15.144 122 HG3 GLN 14 1HG GLN 14 -5.840 1.663 13.448 123 HE21 GLN 14 1HE2 GLN 14 -7.895 -0.476 13.458 124 HE22 GLN 14 2HE2 GLN 14 -9.244 0.203 14.264 125 H PHE 15 H PHE 15 -3.609 -1.583 11.417 126 HA PHE 15 HA PHE 15 -3.192 -4.207 12.497 127 HB2 PHE 15 2HB PHE 15 -3.099 -3.067 9.715 128 HB3 PHE 15 1HB PHE 15 -2.644 -4.726 10.053 129 HD1 PHE 15 1HD PHE 15 -5.252 -3.784 12.258 130 HD2 PHE 15 2HD PHE 15 -4.518 -4.927 8.225 131 HE1 PHE 15 1HE PHE 15 -7.597 -4.469 12.029 132 HE2 PHE 15 2HE PHE 15 -6.869 -5.604 7.995 133 HZ PHE 15 HZ PHE 15 -8.408 -5.375 9.898 134 H LYS 16 H LYS 16 -1.243 -1.649 11.161 135 HA LYS 16 HA LYS 16 0.896 -1.078 11.361 136 HB2 LYS 16 2HB LYS 16 1.086 -3.324 13.371 137 HB3 LYS 16 1HB LYS 16 2.379 -2.178 13.048 138 HG2 LYS 16 2HG LYS 16 0.923 -0.341 13.746 139 HG3 LYS 16 1HG LYS 16 -0.367 -1.497 14.076 140 HD2 LYS 16 2HD LYS 16 1.040 -2.573 15.763 141 HD3 LYS 16 1HD LYS 16 2.332 -1.423 15.421 142 HE2 LYS 16 2HE LYS 16 0.867 0.417 16.084 143 HE3 LYS 16 1HE LYS 16 -0.417 -0.732 16.458 144 HZ1 LYS 16 3HZ LYS 16 2.229 -0.576 17.790 145 HZ2 LYS 16 1HZ LYS 16 1.041 -1.714 18.120 146 HZ3 LYS 16 2HZ LYS 16 0.739 -0.115 18.471 147 H GLY 17 H GLY 17 -0.002 -3.808 9.876 148 HA2 GLY 17 2HA GLY 17 1.436 -3.878 7.769 149 HA3 GLY 17 1HA GLY 17 2.729 -4.254 8.889 150 H LYS 18 H LYS 18 2.604 -6.289 10.078 151 HA LYS 18 HA LYS 18 2.615 -8.510 10.138 152 HB2 LYS 18 2HB LYS 18 0.107 -8.304 8.524 153 HB3 LYS 18 1HB LYS 18 0.671 -9.822 9.211 154 HG2 LYS 18 2HG LYS 18 -0.696 -9.347 10.939 155 HG3 LYS 18 1HG LYS 18 0.475 -8.129 11.388 156 HD2 LYS 18 2HD LYS 18 -1.784 -7.170 11.307 157 HD3 LYS 18 1HD LYS 18 -0.729 -6.434 10.105 158 HE2 LYS 18 2HE LYS 18 -2.970 -6.873 9.195 159 HE3 LYS 18 1HE LYS 18 -1.769 -7.812 8.332 160 HZ1 LYS 18 3HZ LYS 18 -3.614 -8.816 10.443 161 HZ2 LYS 18 1HZ LYS 18 -2.441 -9.751 9.678 162 HZ3 LYS 18 2HZ LYS 18 -3.734 -9.123 8.806 163 H VAL 19 H VAL 19 3.521 -6.838 7.810 164 HA VAL 19 HA VAL 19 3.925 -8.941 5.792 165 HB VAL 19 HB VAL 19 3.656 -7.208 4.019 166 HG11 VAL 19 1HG1 VAL 19 1.762 -8.645 4.549 167 HG12 VAL 19 2HG1 VAL 19 1.222 -7.028 4.097 168 HG13 VAL 19 3HG1 VAL 19 1.245 -7.510 5.794 169 HG21 VAL 19 3HG2 VAL 19 2.815 -5.467 6.336 170 HG22 VAL 19 1HG2 VAL 19 2.526 -5.081 4.631 171 HG23 VAL 19 2HG2 VAL 19 4.174 -5.234 5.225 172 H ASN 20 H ASN 20 5.688 -8.285 4.242 173 HA ASN 20 HA ASN 20 7.949 -7.184 5.721 174 HB2 ASN 20 2HB ASN 20 8.156 -9.349 4.344 175 HB3 ASN 20 1HB ASN 20 7.947 -8.318 2.932 176 HD21 ASN 20 1HD2 ASN 20 10.169 -10.019 3.808 177 HD22 ASN 20 2HD2 ASN 20 11.556 -9.006 3.752 178 H PHE 21 H PHE 21 8.666 -5.241 5.368 179 HA PHE 21 HA PHE 21 7.452 -3.230 3.958 180 HB2 PHE 21 2HB PHE 21 9.073 -2.856 5.730 181 HB3 PHE 21 1HB PHE 21 10.349 -3.559 4.751 182 HD1 PHE 21 2HD PHE 21 11.329 -2.319 2.932 183 HD2 PHE 21 1HD PHE 21 8.255 -0.644 5.322 184 HE1 PHE 21 2HE PHE 21 11.888 -0.088 2.058 185 HE2 PHE 21 1HE PHE 21 8.799 1.598 4.464 186 HZ PHE 21 HZ PHE 21 10.622 1.867 2.817 187 H ASN 22 H ASN 22 10.017 -5.430 2.900 188 HA ASN 22 HA ASN 22 10.688 -3.982 0.546 189 HB2 ASN 22 2HB ASN 22 11.246 -6.848 1.307 190 HB3 ASN 22 1HB ASN 22 11.866 -6.086 -0.151 191 HD21 ASN 22 1HD2 ASN 22 13.278 -7.224 2.107 192 HD22 ASN 22 2HD2 ASN 22 14.272 -5.955 2.729 193 H LEU 23 H LEU 23 8.451 -6.571 1.239 194 HA LEU 23 HA LEU 23 8.016 -7.061 -1.538 195 HB2 LEU 23 2HB LEU 23 7.860 -8.853 0.201 196 HB3 LEU 23 1HB LEU 23 6.439 -8.034 0.816 197 HG LEU 23 HG LEU 23 5.123 -8.645 -1.075 198 HD11 LEU 23 1HD1 LEU 23 6.055 -9.780 -3.032 199 HD12 LEU 23 2HD1 LEU 23 7.677 -9.648 -2.356 200 HD13 LEU 23 3HD1 LEU 23 6.797 -8.194 -2.832 201 HD21 LEU 23 3HD2 LEU 23 6.929 -10.950 -0.366 202 HD22 LEU 23 1HD2 LEU 23 5.334 -11.070 -1.105 203 HD23 LEU 23 2HD2 LEU 23 5.496 -10.435 0.528 204 H VAL 24 H VAL 24 6.464 -5.268 1.027 205 HA VAL 24 HA VAL 24 4.152 -4.605 -0.507 206 HB VAL 24 HB VAL 24 5.374 -3.145 1.859 207 HG11 VAL 24 1HG1 VAL 24 3.928 -1.648 0.548 208 HG12 VAL 24 2HG1 VAL 24 3.174 -2.054 2.091 209 HG13 VAL 24 3HG1 VAL 24 2.633 -2.842 0.607 210 HG21 VAL 24 3HG2 VAL 24 4.676 -5.409 2.351 211 HG22 VAL 24 1HG2 VAL 24 3.085 -5.081 1.661 212 HG23 VAL 24 2HG2 VAL 24 3.609 -4.231 3.117 213 H MET 25 H MET 25 7.245 -3.026 0.081 214 HA MET 25 HA MET 25 6.772 -0.763 -1.483 215 HB2 MET 25 2HB MET 25 8.649 -0.840 0.042 216 HB3 MET 25 1HB MET 25 9.395 -2.159 -0.817 217 HG2 MET 25 2HG MET 25 9.776 -0.693 -2.735 218 HG3 MET 25 1HG MET 25 8.967 0.626 -1.893 219 HE1 MET 25 3HE MET 25 12.097 -1.770 -1.934 220 HE2 MET 25 1HE MET 25 11.403 -2.078 -0.339 221 HE3 MET 25 2HE MET 25 12.946 -1.250 -0.477 222 H GLN 26 H GLN 26 7.759 -4.009 -2.347 223 HA GLN 26 HA GLN 26 8.292 -3.385 -5.063 224 HB2 GLN 26 2HB GLN 26 9.206 -5.428 -4.095 225 HB3 GLN 26 1HB GLN 26 7.589 -6.024 -3.767 226 HG2 GLN 26 2HG GLN 26 7.123 -6.178 -6.137 227 HG3 GLN 26 1HG GLN 26 8.701 -5.493 -6.507 228 HE21 GLN 26 1HE2 GLN 26 9.208 -7.288 -7.715 229 HE22 GLN 26 2HE2 GLN 26 9.647 -8.787 -6.991 230 H ILE 27 H ILE 27 5.401 -4.603 -3.371 231 HA ILE 27 HA ILE 27 3.707 -4.919 -5.590 232 HB ILE 27 HB ILE 27 2.955 -3.899 -2.823 233 HG12 ILE 27 2HG1 ILE 27 4.022 -6.105 -2.717 234 HG13 ILE 27 1HG1 ILE 27 2.318 -6.215 -2.303 235 HG21 ILE 27 1HG2 ILE 27 1.156 -5.068 -4.942 236 HG22 ILE 27 2HG2 ILE 27 1.182 -3.391 -4.392 237 HG23 ILE 27 3HG2 ILE 27 0.673 -4.674 -3.292 238 HD11 ILE 27 3HD1 ILE 27 2.994 -8.084 -3.671 239 HD12 ILE 27 1HD1 ILE 27 3.567 -6.990 -4.932 240 HD13 ILE 27 2HD1 ILE 27 1.847 -7.074 -4.550 241 H LEU 28 H LEU 28 4.264 -2.117 -3.561 242 HA LEU 28 HA LEU 28 2.630 -0.270 -4.905 243 HB2 LEU 28 2HB LEU 28 5.129 0.190 -3.278 244 HB3 LEU 28 1HB LEU 28 3.948 1.411 -3.701 245 HG LEU 28 HG LEU 28 3.380 -0.990 -1.961 246 HD11 LEU 28 1HD1 LEU 28 3.863 1.883 -1.219 247 HD12 LEU 28 2HD1 LEU 28 4.923 0.519 -0.877 248 HD13 LEU 28 3HD1 LEU 28 3.332 0.613 -0.121 249 HD21 LEU 28 3HD2 LEU 28 1.397 -0.172 -3.125 250 HD22 LEU 28 1HD2 LEU 28 1.753 1.467 -2.570 251 HD23 LEU 28 2HD2 LEU 28 1.322 0.215 -1.404 252 H ASP 29 H ASP 29 6.005 -1.152 -5.279 253 HA ASP 29 HA ASP 29 6.782 0.877 -7.094 254 HB2 ASP 29 2HB ASP 29 8.293 -0.646 -5.730 255 HB3 ASP 29 1HB ASP 29 7.891 -1.888 -6.874 256 H GLU 30 H GLU 30 5.816 -2.439 -7.501 257 HA GLU 30 HA GLU 30 6.168 -2.596 -10.271 258 HB2 GLU 30 2HB GLU 30 5.808 -4.461 -8.471 259 HB3 GLU 30 1HB GLU 30 4.106 -4.252 -8.842 260 HG2 GLU 30 2HG GLU 30 4.583 -4.790 -11.207 261 HG3 GLU 30 1HG GLU 30 6.275 -5.029 -10.769 262 H ILE 31 H ILE 31 3.272 -1.673 -8.370 263 HA ILE 31 HA ILE 31 1.679 -1.314 -10.738 264 HB ILE 31 HB ILE 31 0.002 -0.171 -9.380 265 HG12 ILE 31 2HG1 ILE 31 1.975 -0.272 -7.087 266 HG13 ILE 31 1HG1 ILE 31 1.526 1.170 -7.988 267 HG21 ILE 31 1HG2 ILE 31 -0.054 -2.564 -9.252 268 HG22 ILE 31 2HG2 ILE 31 -0.460 -1.889 -7.667 269 HG23 ILE 31 3HG2 ILE 31 1.138 -2.553 -7.954 270 HD11 ILE 31 3HD1 ILE 31 -0.313 -0.498 -6.316 271 HD12 ILE 31 1HD1 ILE 31 -0.757 0.967 -7.192 272 HD13 ILE 31 2HD1 ILE 31 0.394 1.052 -5.855 273 H GLU 32 H GLU 32 3.695 0.746 -8.765 274 HA GLU 32 HA GLU 32 3.083 3.264 -9.753 275 HB2 GLU 32 2HB GLU 32 4.481 2.802 -7.783 276 HB3 GLU 32 1HB GLU 32 5.734 2.175 -8.834 277 HG2 GLU 32 2HG GLU 32 5.984 4.355 -9.844 278 HG3 GLU 32 1HG GLU 32 4.748 5.012 -8.759 279 H LEU 33 H LEU 33 5.652 1.055 -10.758 280 HA LEU 33 HA LEU 33 6.556 2.666 -12.860 281 HB2 LEU 33 2HB LEU 33 7.889 0.761 -13.594 282 HB3 LEU 33 1HB LEU 33 8.014 1.021 -11.882 283 HG LEU 33 HG LEU 33 6.271 -0.895 -11.677 284 HD11 LEU 33 1HD1 LEU 33 5.665 -1.093 -14.013 285 HD12 LEU 33 2HD1 LEU 33 6.380 -2.591 -13.423 286 HD13 LEU 33 3HD1 LEU 33 7.332 -1.495 -14.427 287 HD21 LEU 33 3HD2 LEU 33 8.062 -2.563 -11.680 288 HD22 LEU 33 1HD2 LEU 33 8.547 -1.060 -10.896 289 HD23 LEU 33 2HD2 LEU 33 9.106 -1.421 -12.529 290 H ASP 34 H ASP 34 4.017 0.300 -12.776 291 HA ASP 34 HA ASP 34 3.727 0.230 -15.634 292 HB2 ASP 34 2HB ASP 34 2.858 -1.610 -14.270 293 HB3 ASP 34 1HB ASP 34 1.715 -0.516 -13.497 294 H LEU 35 H LEU 35 2.045 1.845 -13.012 295 HA LEU 35 HA LEU 35 0.124 3.131 -14.619 296 HB2 LEU 35 2HB LEU 35 -0.198 2.698 -12.241 297 HB3 LEU 35 1HB LEU 35 1.091 3.814 -11.854 298 HG LEU 35 HG LEU 35 -0.271 5.648 -12.864 299 HD11 LEU 35 1HD1 LEU 35 -1.669 4.313 -14.324 300 HD12 LEU 35 2HD1 LEU 35 -2.651 5.271 -13.217 301 HD13 LEU 35 3HD1 LEU 35 -2.423 3.549 -12.928 302 HD21 LEU 35 3HD2 LEU 35 -1.814 5.830 -10.980 303 HD22 LEU 35 1HD2 LEU 35 -0.220 5.287 -10.460 304 HD23 LEU 35 2HD2 LEU 35 -1.543 4.131 -10.597 305 H ARG 36 H ARG 36 2.985 4.455 -12.970 306 HA ARG 36 HA ARG 36 4.181 6.336 -13.159 307 HB2 ARG 36 2HB ARG 36 3.259 6.356 -16.054 308 HB3 ARG 36 1HB ARG 36 4.568 7.321 -15.396 309 HG2 ARG 36 2HG ARG 36 4.516 4.312 -15.503 310 HG3 ARG 36 1HG ARG 36 5.350 5.358 -16.652 311 HD2 ARG 36 2HD ARG 36 6.764 6.203 -14.842 312 HD3 ARG 36 1HD ARG 36 5.909 5.176 -13.690 313 HE ARG 36 HE ARG 36 6.716 3.452 -15.571 314 HH11 ARG 36 1HH1 ARG 36 8.465 5.824 -13.625 315 HH12 ARG 36 2HH1 ARG 36 9.938 4.962 -13.612 316 HH21 ARG 36 1HH2 ARG 36 8.725 2.252 -15.532 317 HH22 ARG 36 2HH2 ARG 36 10.082 2.886 -14.730 318 H GLY 37 H GLY 37 1.589 7.179 -15.378 319 HA2 GLY 37 2HA GLY 37 0.325 8.873 -13.440 320 HA3 GLY 37 1HA GLY 37 1.120 9.760 -14.740 321 H SER 38 H SER 38 -0.281 6.612 -15.170 322 HA SER 38 HA SER 38 -1.990 7.649 -17.240 323 HB2 SER 38 2HB SER 38 -0.632 5.588 -17.583 324 HB3 SER 38 1HB SER 38 -1.545 4.782 -16.318 325 HG SER 38 HG SER 38 -2.209 4.388 -18.545 326 H ASP 39 H ASP 39 -4.179 6.092 -17.194 327 HA ASP 39 HA ASP 39 -5.557 7.271 -14.890 328 HB2 ASP 39 2HB ASP 39 -7.581 7.303 -16.170 329 HB3 ASP 39 1HB ASP 39 -6.289 7.987 -17.142 330 H ASN 40 H ASN 40 -4.850 4.109 -16.197 331 HA ASN 40 HA ASN 40 -7.031 3.066 -14.553 332 HB2 ASN 40 2HB ASN 40 -5.507 1.587 -16.710 333 HB3 ASN 40 1HB ASN 40 -6.763 0.894 -15.704 334 HD21 ASN 40 1HD2 ASN 40 -6.031 2.785 -18.436 335 HD22 ASN 40 2HD2 ASN 40 -7.651 3.078 -18.944 336 H ILE 41 H ILE 41 -5.922 3.394 -12.644 337 HA ILE 41 HA ILE 41 -3.474 1.940 -12.203 338 HB ILE 41 HB ILE 41 -3.790 3.993 -10.921 339 HG12 ILE 41 2HG1 ILE 41 -3.913 1.580 -9.083 340 HG13 ILE 41 1HG1 ILE 41 -2.459 2.181 -9.859 341 HG21 ILE 41 1HG2 ILE 41 -6.139 4.140 -10.775 342 HG22 ILE 41 2HG2 ILE 41 -5.522 4.105 -9.119 343 HG23 ILE 41 3HG2 ILE 41 -6.235 2.655 -9.842 344 HD11 ILE 41 3HD1 ILE 41 -2.666 4.262 -8.571 345 HD12 ILE 41 1HD1 ILE 41 -2.530 2.832 -7.549 346 HD13 ILE 41 2HD1 ILE 41 -4.099 3.607 -7.777 347 H LYS 42 H LYS 42 -6.841 1.405 -11.832 348 HA LYS 42 HA LYS 42 -6.779 -0.793 -10.098 349 HB2 LYS 42 2HB LYS 42 -8.997 -1.381 -10.985 350 HB3 LYS 42 1HB LYS 42 -8.882 0.340 -10.668 351 HG2 LYS 42 2HG LYS 42 -8.538 0.734 -13.083 352 HG3 LYS 42 1HG LYS 42 -8.696 -0.997 -13.362 353 HD2 LYS 42 2HD LYS 42 -10.964 -0.941 -12.449 354 HD3 LYS 42 1HD LYS 42 -10.810 0.796 -12.179 355 HE2 LYS 42 2HE LYS 42 -10.472 1.130 -14.586 356 HE3 LYS 42 1HE LYS 42 -10.656 -0.603 -14.844 357 HZ1 LYS 42 3HZ LYS 42 -12.728 1.217 -13.759 358 HZ2 LYS 42 1HZ LYS 42 -12.914 -0.437 -13.971 359 HZ3 LYS 42 2HZ LYS 42 -12.709 0.564 -15.307 360 H THR 43 H THR 43 -6.252 -0.544 -13.570 361 HA THR 43 HA THR 43 -6.229 -3.328 -14.022 362 HB THR 43 HB THR 43 -4.935 -1.211 -15.739 363 HG1 THR 43 1HG THR 43 -7.689 -1.924 -15.925 364 HG21 THR 43 3HG2 THR 43 -6.453 -3.761 -16.372 365 HG22 THR 43 1HG2 THR 43 -4.700 -3.579 -16.432 366 HG23 THR 43 2HG2 THR 43 -5.720 -2.679 -17.555 367 H SER 44 H SER 44 -3.757 -0.852 -13.279 368 HA SER 44 HA SER 44 -1.492 -2.429 -13.618 369 HB2 SER 44 2HB SER 44 -1.957 -0.191 -11.630 370 HB3 SER 44 1HB SER 44 -0.398 -0.729 -12.269 371 HG SER 44 HG SER 44 -0.996 -0.022 -14.299 372 H ILE 45 H ILE 45 -3.672 -1.914 -10.900 373 HA ILE 45 HA ILE 45 -2.455 -3.416 -8.888 374 HB ILE 45 HB ILE 45 -5.403 -3.048 -9.495 375 HG12 ILE 45 2HG1 ILE 45 -4.240 -0.934 -9.029 376 HG13 ILE 45 1HG1 ILE 45 -5.409 -1.315 -7.773 377 HG21 ILE 45 1HG2 ILE 45 -5.884 -3.645 -7.163 378 HG22 ILE 45 2HG2 ILE 45 -4.191 -4.085 -6.945 379 HG23 ILE 45 3HG2 ILE 45 -5.193 -4.981 -8.085 380 HD11 ILE 45 3HD1 ILE 45 -3.576 -2.088 -6.337 381 HD12 ILE 45 1HD1 ILE 45 -3.386 -0.402 -6.825 382 HD13 ILE 45 2HD1 ILE 45 -2.427 -1.655 -7.607 383 H ILE 46 H ILE 46 -4.714 -4.419 -11.432 384 HA ILE 46 HA ILE 46 -5.144 -7.058 -10.723 385 HB ILE 46 HB ILE 46 -5.017 -5.920 -13.534 386 HG12 ILE 46 2HG1 ILE 46 -7.373 -6.380 -11.685 387 HG13 ILE 46 1HG1 ILE 46 -6.662 -4.820 -12.080 388 HG21 ILE 46 1HG2 ILE 46 -6.403 -7.846 -14.203 389 HG22 ILE 46 2HG2 ILE 46 -6.252 -8.511 -12.579 390 HG23 ILE 46 3HG2 ILE 46 -4.822 -8.354 -13.600 391 HD11 ILE 46 3HD1 ILE 46 -7.335 -5.126 -14.422 392 HD12 ILE 46 1HD1 ILE 46 -8.714 -5.182 -13.321 393 HD13 ILE 46 2HD1 ILE 46 -8.059 -6.674 -13.995 394 H TYR 47 H TYR 47 -2.531 -5.773 -12.769 395 HA TYR 47 HA TYR 47 -1.438 -8.260 -13.529 396 HB2 TYR 47 2HB TYR 47 0.207 -5.772 -13.084 397 HB3 TYR 47 1HB TYR 47 0.562 -7.104 -14.161 398 HD1 TYR 47 2HD TYR 47 -1.806 -7.416 -15.797 399 HD2 TYR 47 1HD TYR 47 -0.067 -3.879 -14.221 400 HE1 TYR 47 2HE TYR 47 -2.816 -6.103 -17.622 401 HE2 TYR 47 1HE TYR 47 -1.054 -2.566 -16.011 402 HH TYR 47 HH TYR 47 -1.861 -2.879 -18.226 403 H VAL 48 H VAL 48 -0.568 -6.020 -10.982 404 HA VAL 48 HA VAL 48 1.631 -7.475 -10.018 405 HB VAL 48 HB VAL 48 0.028 -5.303 -8.658 406 HG11 VAL 48 1HG1 VAL 48 1.423 -6.524 -7.057 407 HG12 VAL 48 2HG1 VAL 48 2.055 -4.900 -7.332 408 HG13 VAL 48 3HG1 VAL 48 2.829 -6.288 -8.095 409 HG21 VAL 48 3HG2 VAL 48 1.800 -3.820 -9.532 410 HG22 VAL 48 1HG2 VAL 48 0.873 -4.606 -10.812 411 HG23 VAL 48 2HG2 VAL 48 2.480 -5.194 -10.398 412 H TYR 49 H TYR 49 -1.728 -7.256 -8.907 413 HA TYR 49 HA TYR 49 -1.279 -8.869 -6.657 414 HB2 TYR 49 2HB TYR 49 -3.794 -8.042 -8.087 415 HB3 TYR 49 1HB TYR 49 -3.837 -9.144 -6.715 416 HD1 TYR 49 2HD TYR 49 -1.440 -6.327 -6.918 417 HD2 TYR 49 1HD TYR 49 -5.137 -7.684 -5.311 418 HE1 TYR 49 2HE TYR 49 -1.454 -4.422 -5.371 419 HE2 TYR 49 1HE TYR 49 -5.155 -5.783 -3.753 420 HH TYR 49 HH TYR 49 -3.745 -4.191 -2.790 421 H SER 50 H SER 50 -2.127 -9.607 -9.975 422 HA SER 50 HA SER 50 -2.656 -12.347 -9.396 423 HB2 SER 50 2HB SER 50 -2.061 -11.010 -12.040 424 HB3 SER 50 1HB SER 50 -2.742 -12.627 -11.817 425 HG SER 50 HG SER 50 -3.879 -10.116 -11.402 426 H SER 51 H SER 51 0.163 -10.490 -10.087 427 HA SER 51 HA SER 51 1.793 -12.729 -10.745 428 HB2 SER 51 2HB SER 51 2.332 -10.494 -11.600 429 HB3 SER 51 1HB SER 51 2.502 -9.886 -9.958 430 HG SER 51 HG SER 51 4.054 -12.076 -10.718 431 H HIS 52 H HIS 52 0.815 -11.116 -7.839 432 HA HIS 52 HA HIS 52 2.751 -12.712 -6.279 433 HB2 HIS 52 2HB HIS 52 1.650 -9.960 -5.604 434 HB3 HIS 52 1HB HIS 52 2.720 -10.900 -4.582 435 HD1 HIS 52 1HD HIS 52 5.239 -10.721 -5.075 436 HD2 HIS 52 2HD HIS 52 2.878 -8.826 -7.914 437 HE1 HIS 52 1HE HIS 52 6.815 -9.308 -6.439 438 HE2 HIS 52 2HE HIS 52 5.346 -8.160 -8.154 439 H LEU 53 H LEU 53 0.216 -13.641 -7.057 440 HA LEU 53 HA LEU 53 -2.030 -13.144 -5.581 441 HB2 LEU 53 2HB LEU 53 -1.083 -15.802 -6.602 442 HB3 LEU 53 1HB LEU 53 -2.656 -15.483 -5.888 443 HG LEU 53 HG LEU 53 -1.668 -14.055 -8.360 444 HD11 LEU 53 1HD1 LEU 53 -1.741 -16.443 -8.818 445 HD12 LEU 53 2HD1 LEU 53 -3.043 -15.598 -9.648 446 HD13 LEU 53 3HD1 LEU 53 -3.390 -16.530 -8.188 447 HD21 LEU 53 3HD2 LEU 53 -3.464 -12.920 -7.194 448 HD22 LEU 53 1HD2 LEU 53 -4.404 -14.414 -7.128 449 HD23 LEU 53 2HD2 LEU 53 -4.083 -13.653 -8.676 450 H ASP 54 H ASP 54 0.415 -15.548 -4.727 451 HA ASP 54 HA ASP 54 -0.920 -16.494 -2.450 452 HB2 ASP 54 2HB ASP 54 1.145 -17.534 -1.726 453 HB3 ASP 54 1HB ASP 54 0.957 -17.728 -3.458 454 H GLU 55 H GLU 55 1.181 -13.752 -2.820 455 HA GLU 55 HA GLU 55 1.428 -13.340 -0.010 456 HB2 GLU 55 2HB GLU 55 3.103 -12.489 -1.597 457 HB3 GLU 55 1HB GLU 55 1.899 -11.390 -2.260 458 HG2 GLU 55 2HG GLU 55 3.411 -10.290 -0.673 459 HG3 GLU 55 1HG GLU 55 1.729 -10.242 -0.158 460 H ILE 56 H ILE 56 -0.449 -11.981 -2.585 461 HA ILE 56 HA ILE 56 -1.927 -10.086 -1.186 462 HB ILE 56 HB ILE 56 -2.871 -11.765 -3.538 463 HG12 ILE 56 2HG1 ILE 56 -0.767 -10.692 -4.103 464 HG13 ILE 56 1HG1 ILE 56 -2.085 -9.910 -4.962 465 HG21 ILE 56 1HG2 ILE 56 -3.820 -9.067 -2.584 466 HG22 ILE 56 2HG2 ILE 56 -4.736 -10.578 -2.537 467 HG23 ILE 56 3HG2 ILE 56 -4.306 -9.843 -4.088 468 HD11 ILE 56 3HD1 ILE 56 -2.024 -8.061 -3.362 469 HD12 ILE 56 1HD1 ILE 56 -0.467 -8.291 -4.156 470 HD13 ILE 56 2HD1 ILE 56 -0.701 -8.850 -2.502 471 H ARG 57 H ARG 57 -2.537 -13.528 -1.691 472 HA ARG 57 HA ARG 57 -4.987 -13.683 -0.332 473 HB2 ARG 57 2HB ARG 57 -2.871 -15.796 -0.645 474 HB3 ARG 57 1HB ARG 57 -4.510 -16.094 -0.087 475 HG2 ARG 57 2HG ARG 57 -5.390 -15.360 -2.214 476 HG3 ARG 57 1HG ARG 57 -3.760 -14.981 -2.774 477 HD2 ARG 57 2HD ARG 57 -4.426 -17.123 -3.657 478 HD3 ARG 57 1HD ARG 57 -3.147 -17.337 -2.466 479 HE ARG 57 HE ARG 57 -5.642 -17.576 -1.225 480 HH11 ARG 57 1HH1 ARG 57 -3.482 -19.315 -3.410 481 HH12 ARG 57 2HH1 ARG 57 -4.100 -20.859 -3.050 482 HH21 ARG 57 1HH2 ARG 57 -6.509 -19.732 -0.705 483 HH22 ARG 57 2HH2 ARG 57 -5.869 -21.088 -1.517 484 H LYS 58 H LYS 58 -1.721 -13.855 0.972 485 HA LYS 58 HA LYS 58 -2.420 -14.895 3.529 486 HB2 LYS 58 2HB LYS 58 -0.092 -13.048 2.954 487 HB3 LYS 58 1HB LYS 58 -0.274 -14.082 4.351 488 HG2 LYS 58 2HG LYS 58 -0.139 -16.047 2.837 489 HG3 LYS 58 1HG LYS 58 0.193 -14.932 1.508 490 HD2 LYS 58 2HD LYS 58 2.108 -14.040 2.914 491 HD3 LYS 58 1HD LYS 58 1.861 -15.434 3.966 492 HE2 LYS 58 2HE LYS 58 3.604 -15.990 2.419 493 HE3 LYS 58 1HE LYS 58 2.168 -16.891 1.943 494 HZ1 LYS 58 3HZ LYS 58 3.029 -14.326 0.754 495 HZ2 LYS 58 1HZ LYS 58 1.709 -15.237 0.260 496 HZ3 LYS 58 2HZ LYS 58 3.260 -15.823 -0.001 497 H ASN 59 H ASN 59 -1.985 -11.615 2.377 498 HA ASN 59 HA ASN 59 -3.352 -10.725 4.820 499 HB2 ASN 59 2HB ASN 59 -1.031 -9.279 3.512 500 HB3 ASN 59 1HB ASN 59 -2.004 -8.643 4.829 501 HD21 ASN 59 1HD2 ASN 59 0.535 -10.783 3.928 502 HD22 ASN 59 2HD2 ASN 59 0.977 -11.251 5.520 503 H LYS 60 H LYS 60 -4.793 -11.318 2.819 504 HA LYS 60 HA LYS 60 -5.224 -9.395 0.864 505 HB2 LYS 60 2HB LYS 60 -7.495 -10.420 0.614 506 HB3 LYS 60 1HB LYS 60 -6.163 -11.556 0.564 507 HG2 LYS 60 2HG LYS 60 -6.613 -12.126 2.935 508 HG3 LYS 60 1HG LYS 60 -8.022 -11.067 2.875 509 HD2 LYS 60 2HD LYS 60 -7.588 -13.436 1.050 510 HD3 LYS 60 1HD LYS 60 -8.542 -13.487 2.531 511 HE2 LYS 60 2HE LYS 60 -9.117 -11.682 0.169 512 HE3 LYS 60 1HE LYS 60 -9.904 -13.225 0.468 513 HZ1 LYS 60 3HZ LYS 60 -10.761 -12.341 2.555 514 HZ2 LYS 60 1HZ LYS 60 -11.253 -11.396 1.250 515 HZ3 LYS 60 2HZ LYS 60 -10.034 -10.847 2.258 516 H GLU 61 H GLU 61 -5.993 -9.306 4.147 517 HA GLU 61 HA GLU 61 -8.029 -7.387 4.342 518 HB2 GLU 61 2HB GLU 61 -5.524 -7.432 5.996 519 HB3 GLU 61 1HB GLU 61 -7.146 -6.886 6.403 520 HG2 GLU 61 2HG GLU 61 -7.918 -9.065 6.704 521 HG3 GLU 61 1HG GLU 61 -6.585 -9.771 5.788 522 H PHE 62 H PHE 62 -4.549 -7.114 4.449 523 HA PHE 62 HA PHE 62 -4.299 -4.313 4.471 524 HB2 PHE 62 2HB PHE 62 -2.627 -5.818 5.437 525 HB3 PHE 62 1HB PHE 62 -2.331 -6.530 3.862 526 HD1 PHE 62 2HD PHE 62 -1.802 -3.609 5.988 527 HD2 PHE 62 1HD PHE 62 -0.939 -5.422 2.245 528 HE1 PHE 62 2HE PHE 62 -0.004 -1.977 5.614 529 HE2 PHE 62 1HE PHE 62 0.864 -3.800 1.864 530 HZ PHE 62 HZ PHE 62 1.331 -2.070 3.550 531 H TYR 63 H TYR 63 -3.737 -6.780 2.009 532 HA TYR 63 HA TYR 63 -2.946 -4.927 0.080 533 HB2 TYR 63 2HB TYR 63 -3.704 -7.820 -0.234 534 HB3 TYR 63 1HB TYR 63 -3.076 -6.824 -1.541 535 HD1 TYR 63 2HD TYR 63 -0.830 -5.555 -0.973 536 HD2 TYR 63 1HD TYR 63 -2.171 -9.044 1.032 537 HE1 TYR 63 2HE TYR 63 1.487 -6.008 -0.215 538 HE2 TYR 63 1HE TYR 63 0.120 -9.509 1.792 539 HH TYR 63 HH TYR 63 2.337 -9.019 1.296 540 H ASP 64 H ASP 64 -6.158 -6.014 0.948 541 HA ASP 64 HA ASP 64 -7.156 -5.034 -1.594 542 HB2 ASP 64 2HB ASP 64 -8.328 -6.917 -0.507 543 HB3 ASP 64 1HB ASP 64 -8.722 -5.876 0.856 544 H MET 65 H MET 65 -7.022 -3.992 1.756 545 HA MET 65 HA MET 65 -8.487 -1.636 1.376 546 HB2 MET 65 2HB MET 65 -6.452 -2.370 3.458 547 HB3 MET 65 1HB MET 65 -7.287 -0.827 3.482 548 HG2 MET 65 2HG MET 65 -9.434 -2.101 3.488 549 HG3 MET 65 1HG MET 65 -8.476 -3.563 3.667 550 HE1 MET 65 3HE MET 65 -6.836 -3.064 7.193 551 HE2 MET 65 1HE MET 65 -6.166 -2.638 5.619 552 HE3 MET 65 2HE MET 65 -7.041 -4.155 5.819 553 H ILE 66 H ILE 66 -4.972 -2.235 1.160 554 HA ILE 66 HA ILE 66 -4.427 0.466 0.622 555 HB ILE 66 HB ILE 66 -2.271 -0.214 -0.406 556 HG12 ILE 66 2HG1 ILE 66 -3.025 -3.023 0.276 557 HG13 ILE 66 1HG1 ILE 66 -3.195 -2.420 -1.362 558 HG21 ILE 66 1HG2 ILE 66 -2.381 0.118 1.969 559 HG22 ILE 66 2HG2 ILE 66 -1.280 -1.208 1.597 560 HG23 ILE 66 3HG2 ILE 66 -2.898 -1.551 2.207 561 HD11 ILE 66 3HD1 ILE 66 -1.128 -3.613 -1.196 562 HD12 ILE 66 1HD1 ILE 66 -0.655 -2.693 0.241 563 HD13 ILE 66 2HD1 ILE 66 -0.770 -1.892 -1.328 564 H ALA 67 H ALA 67 -5.323 -2.163 -1.513 565 HA ALA 67 HA ALA 67 -4.902 -0.986 -3.993 566 HB1 ALA 67 1HB ALA 67 -7.251 -2.721 -3.235 567 HB2 ALA 67 2HB ALA 67 -5.650 -3.317 -3.672 568 HB3 ALA 67 3HB ALA 67 -6.623 -2.450 -4.863 569 H GLU 68 H GLU 68 -7.749 -0.579 -1.895 570 HA GLU 68 HA GLU 68 -8.861 1.211 -3.808 571 HB2 GLU 68 2HB GLU 68 -10.620 1.708 -2.090 572 HB3 GLU 68 1HB GLU 68 -10.482 0.023 -2.542 573 HG2 GLU 68 2HG GLU 68 -9.264 -0.421 -0.475 574 HG3 GLU 68 1HG GLU 68 -9.403 1.282 -0.034 575 H ILE 69 H ILE 69 -6.981 1.668 -0.888 576 HA ILE 69 HA ILE 69 -7.255 4.477 -0.681 577 HB ILE 69 HB ILE 69 -4.859 2.774 0.067 578 HG12 ILE 69 2HG1 ILE 69 -7.132 3.742 1.793 579 HG13 ILE 69 1HG1 ILE 69 -6.996 2.111 1.142 580 HG21 ILE 69 1HG2 ILE 69 -5.629 5.558 0.981 581 HG22 ILE 69 2HG2 ILE 69 -4.273 5.149 -0.069 582 HG23 ILE 69 3HG2 ILE 69 -4.283 4.606 1.612 583 HD11 ILE 69 3HD1 ILE 69 -6.249 2.150 3.432 584 HD12 ILE 69 1HD1 ILE 69 -5.098 3.437 3.054 585 HD13 ILE 69 2HD1 ILE 69 -4.895 1.835 2.353 586 H LEU 70 H LEU 70 -4.867 2.459 -2.353 587 HA LEU 70 HA LEU 70 -3.174 4.401 -3.367 588 HB2 LEU 70 2HB LEU 70 -4.013 1.772 -4.589 589 HB3 LEU 70 1HB LEU 70 -2.672 2.743 -5.162 590 HG LEU 70 HG LEU 70 -2.817 1.623 -2.363 591 HD11 LEU 70 1HD1 LEU 70 -2.808 -0.221 -3.935 592 HD12 LEU 70 2HD1 LEU 70 -1.244 -0.086 -3.131 593 HD13 LEU 70 3HD1 LEU 70 -1.442 0.496 -4.784 594 HD21 LEU 70 3HD2 LEU 70 -1.345 3.541 -2.638 595 HD22 LEU 70 1HD2 LEU 70 -0.541 2.741 -3.990 596 HD23 LEU 70 2HD2 LEU 70 -0.419 2.070 -2.364 597 H GLN 71 H GLN 71 -6.122 3.127 -4.761 598 HA GLN 71 HA GLN 71 -6.023 4.652 -7.142 599 HB2 GLN 71 2HB GLN 71 -8.398 3.460 -5.707 600 HB3 GLN 71 1HB GLN 71 -8.402 4.059 -7.358 601 HG2 GLN 71 2HG GLN 71 -6.799 2.314 -8.002 602 HG3 GLN 71 1HG GLN 71 -6.741 1.770 -6.340 603 HE21 GLN 71 1HE2 GLN 71 -8.346 0.615 -5.514 604 HE22 GLN 71 2HE2 GLN 71 -9.661 -0.057 -6.411 605 H ARG 72 H ARG 72 -7.755 5.121 -4.068 606 HA ARG 72 HA ARG 72 -9.167 7.407 -4.660 607 HB2 ARG 72 2HB ARG 72 -9.504 5.760 -2.889 608 HB3 ARG 72 1HB ARG 72 -8.041 6.310 -2.113 609 HG2 ARG 72 2HG ARG 72 -9.079 8.453 -1.678 610 HG3 ARG 72 1HG ARG 72 -10.552 7.900 -2.499 611 HD2 ARG 72 2HD ARG 72 -9.290 6.598 -0.093 612 HD3 ARG 72 1HD ARG 72 -10.738 7.611 -0.096 613 HE ARG 72 HE ARG 72 -11.581 5.820 -1.726 614 HH11 ARG 72 1HH1 ARG 72 -9.518 5.094 1.106 615 HH12 ARG 72 2HH1 ARG 72 -10.121 3.528 1.291 616 HH21 ARG 72 1HH2 ARG 72 -12.380 3.678 -1.444 617 HH22 ARG 72 2HH2 ARG 72 -11.804 2.669 -0.191 618 H TYR 73 H TYR 73 -5.967 6.973 -3.159 619 HA TYR 73 HA TYR 73 -5.743 9.826 -2.964 620 HB2 TYR 73 2HB TYR 73 -4.179 7.648 -1.670 621 HB3 TYR 73 1HB TYR 73 -3.526 9.282 -1.760 622 HD1 TYR 73 1HD TYR 73 -6.602 7.463 -0.718 623 HD2 TYR 73 2HD TYR 73 -4.122 10.871 -0.213 624 HE1 TYR 73 1HE TYR 73 -8.025 8.217 1.121 625 HE2 TYR 73 2HE TYR 73 -5.532 11.628 1.644 626 HH TYR 73 HH TYR 73 -7.867 9.664 3.076 627 H TYR 74 H TYR 74 -4.558 7.477 -5.168 628 HA TYR 74 HA TYR 74 -2.438 9.138 -6.029 629 HB2 TYR 74 2HB TYR 74 -1.995 7.425 -7.462 630 HB3 TYR 74 1HB TYR 74 -3.403 6.602 -6.826 631 HD1 TYR 74 1HD TYR 74 -5.470 6.549 -8.116 632 HD2 TYR 74 2HD TYR 74 -2.026 8.509 -9.641 633 HE1 TYR 74 1HE TYR 74 -6.485 6.591 -10.337 634 HE2 TYR 74 2HE TYR 74 -3.047 8.558 -11.883 635 HH TYR 74 HH TYR 74 -4.720 7.453 -13.143 636 H LYS 75 H LYS 75 -5.841 9.123 -6.504 637 HA LYS 75 HA LYS 75 -5.946 11.103 -8.536 638 HB2 LYS 75 2HB LYS 75 -8.012 10.291 -6.481 639 HB3 LYS 75 1HB LYS 75 -8.299 11.407 -7.800 640 HG2 LYS 75 2HG LYS 75 -7.588 8.497 -8.077 641 HG3 LYS 75 1HG LYS 75 -9.193 9.200 -8.284 642 HD2 LYS 75 2HD LYS 75 -8.169 10.646 -10.095 643 HD3 LYS 75 1HD LYS 75 -6.741 9.617 -9.981 644 HE2 LYS 75 2HE LYS 75 -8.196 7.643 -10.446 645 HE3 LYS 75 1HE LYS 75 -9.539 8.751 -10.693 646 HZ1 LYS 75 3HZ LYS 75 -7.058 8.592 -12.340 647 HZ2 LYS 75 1HZ LYS 75 -8.218 9.806 -12.489 648 HZ3 LYS 75 2HZ LYS 75 -8.635 8.228 -12.796 649 H LYS 76 H LYS 76 -5.673 11.202 -5.049 650 HA LYS 76 HA LYS 76 -6.330 14.035 -4.948 651 HB2 LYS 76 2HB LYS 76 -5.356 12.210 -2.750 652 HB3 LYS 76 1HB LYS 76 -5.799 13.888 -2.532 653 HG2 LYS 76 2HG LYS 76 -8.117 13.289 -3.250 654 HG3 LYS 76 1HG LYS 76 -7.612 11.592 -3.256 655 HD2 LYS 76 2HD LYS 76 -6.970 11.758 -0.903 656 HD3 LYS 76 1HD LYS 76 -7.442 13.452 -0.882 657 HE2 LYS 76 2HE LYS 76 -9.773 12.751 -1.405 658 HE3 LYS 76 1HE LYS 76 -9.252 11.070 -1.282 659 HZ1 LYS 76 3HZ LYS 76 -9.129 13.086 0.902 660 HZ2 LYS 76 1HZ LYS 76 -8.636 11.497 1.078 661 HZ3 LYS 76 2HZ LYS 76 -10.251 11.859 0.808 662 H ILE 77 H ILE 77 -3.437 12.060 -4.265 663 HA ILE 77 HA ILE 77 -1.900 14.565 -4.395 664 HB ILE 77 HB ILE 77 -0.289 13.583 -2.753 665 HG12 ILE 77 2HG1 ILE 77 -2.501 11.546 -2.331 666 HG13 ILE 77 1HG1 ILE 77 -0.924 11.213 -3.026 667 HG21 ILE 77 1HG2 ILE 77 -1.888 15.264 -2.066 668 HG22 ILE 77 2HG2 ILE 77 -1.668 14.081 -0.777 669 HG23 ILE 77 3HG2 ILE 77 -3.113 14.025 -1.788 670 HD11 ILE 77 3HD1 ILE 77 -1.477 12.096 -0.198 671 HD12 ILE 77 1HD1 ILE 77 0.119 11.791 -0.886 672 HD13 ILE 77 2HD1 ILE 77 -1.035 10.473 -0.735 673 H GLY 78 H GLY 78 -1.995 11.206 -5.291 674 HA2 GLY 78 2HA GLY 78 -0.914 10.894 -7.516 675 HA3 GLY 78 1HA GLY 78 0.484 11.706 -6.810 676 H ILE 79 H ILE 79 0.267 9.044 -7.977 677 HA ILE 79 HA ILE 79 -0.006 7.107 -5.967 678 HB ILE 79 HB ILE 79 -0.318 6.494 -8.322 679 HG12 ILE 79 2HG1 ILE 79 0.969 4.368 -8.375 680 HG13 ILE 79 1HG1 ILE 79 1.950 4.967 -7.040 681 HG21 ILE 79 1HG2 ILE 79 1.578 6.169 -9.851 682 HG22 ILE 79 2HG2 ILE 79 2.636 6.922 -8.658 683 HG23 ILE 79 3HG2 ILE 79 1.339 7.857 -9.397 684 HD11 ILE 79 3HD1 ILE 79 0.224 3.397 -6.309 685 HD12 ILE 79 1HD1 ILE 79 -1.018 4.471 -6.944 686 HD13 ILE 79 2HD1 ILE 79 -0.004 4.993 -5.596 687 H GLU 80 H GLU 80 2.883 8.743 -7.203 688 HA GLU 80 HA GLU 80 4.860 7.216 -5.985 689 HB2 GLU 80 2HB GLU 80 4.905 10.230 -6.210 690 HB3 GLU 80 1HB GLU 80 6.296 9.180 -6.074 691 HG2 GLU 80 2HG GLU 80 6.356 9.611 -8.315 692 HG3 GLU 80 1HG GLU 80 5.299 8.203 -8.337 693 H ASN 81 H ASN 81 3.081 9.921 -4.791 694 HA ASN 81 HA ASN 81 4.263 10.164 -2.241 695 HB2 ASN 81 2HB ASN 81 1.603 11.083 -3.306 696 HB3 ASN 81 1HB ASN 81 2.146 11.443 -1.674 697 HD21 ASN 81 1HD2 ASN 81 1.598 13.170 -4.081 698 HD22 ASN 81 2HD2 ASN 81 3.031 14.078 -4.250 699 H VAL 82 H VAL 82 1.381 8.463 -3.353 700 HA VAL 82 HA VAL 82 0.506 7.741 -0.762 701 HB VAL 82 HB VAL 82 -0.128 6.237 -3.312 702 HG11 VAL 82 1HG1 VAL 82 -0.763 5.051 -1.280 703 HG12 VAL 82 2HG1 VAL 82 -2.207 5.642 -2.113 704 HG13 VAL 82 3HG1 VAL 82 -1.604 6.481 -0.689 705 HG21 VAL 82 3HG2 VAL 82 -1.518 8.603 -2.090 706 HG22 VAL 82 1HG2 VAL 82 -2.123 7.656 -3.450 707 HG23 VAL 82 2HG2 VAL 82 -0.628 8.579 -3.612 708 H ASN 83 H ASN 83 2.455 6.068 -3.179 709 HA ASN 83 HA ASN 83 2.739 3.641 -1.843 710 HB2 ASN 83 2HB ASN 83 4.716 5.035 -3.666 711 HB3 ASN 83 1HB ASN 83 4.933 3.391 -3.081 712 HD21 ASN 83 1HD2 ASN 83 4.741 4.185 -5.844 713 HD22 ASN 83 2HD2 ASN 83 3.315 3.415 -6.430 714 H GLN 84 H GLN 84 4.648 6.556 -1.606 715 HA GLN 84 HA GLN 84 6.547 5.614 0.270 716 HB2 GLN 84 2HB GLN 84 6.483 7.785 -1.196 717 HB3 GLN 84 1HB GLN 84 5.597 8.467 0.150 718 HG2 GLN 84 2HG GLN 84 8.425 7.399 0.223 719 HG3 GLN 84 1HG GLN 84 7.959 9.092 0.209 720 HE21 GLN 84 1HE2 GLN 84 8.449 6.256 2.114 721 HE22 GLN 84 2HE2 GLN 84 8.133 6.965 3.638 722 H LEU 85 H LEU 85 3.417 7.261 0.619 723 HA LEU 85 HA LEU 85 3.554 7.446 3.428 724 HB2 LEU 85 2HB LEU 85 1.149 7.560 1.622 725 HB3 LEU 85 1HB LEU 85 1.110 7.913 3.337 726 HG LEU 85 HG LEU 85 2.620 9.459 1.231 727 HD11 LEU 85 1HD1 LEU 85 0.237 9.841 1.160 728 HD12 LEU 85 2HD1 LEU 85 1.082 11.259 1.772 729 HD13 LEU 85 3HD1 LEU 85 0.224 10.196 2.887 730 HD21 LEU 85 3HD2 LEU 85 2.444 9.900 4.214 731 HD22 LEU 85 1HD2 LEU 85 3.117 11.050 3.057 732 HD23 LEU 85 2HD2 LEU 85 3.891 9.489 3.290 733 H ILE 86 H ILE 86 2.203 4.944 1.340 734 HA ILE 86 HA ILE 86 1.073 3.408 3.426 735 HB ILE 86 HB ILE 86 2.205 2.478 0.759 736 HG12 ILE 86 2HG1 ILE 86 0.338 4.022 0.468 737 HG13 ILE 86 1HG1 ILE 86 -0.152 2.399 0.009 738 HG21 ILE 86 1HG2 ILE 86 0.438 0.946 2.670 739 HG22 ILE 86 2HG2 ILE 86 2.122 0.594 2.286 740 HG23 ILE 86 3HG2 ILE 86 0.882 0.425 1.044 741 HD11 ILE 86 3HD1 ILE 86 -1.304 2.165 2.177 742 HD12 ILE 86 1HD1 ILE 86 -1.919 3.515 1.224 743 HD13 ILE 86 2HD1 ILE 86 -0.840 3.819 2.580 744 H LEU 87 H LEU 87 4.289 3.470 1.997 745 HA LEU 87 HA LEU 87 5.432 1.442 3.569 746 HB2 LEU 87 2HB LEU 87 6.694 3.876 2.321 747 HB3 LEU 87 1HB LEU 87 7.605 2.570 3.048 748 HG LEU 87 HG LEU 87 5.802 2.321 0.645 749 HD11 LEU 87 1HD1 LEU 87 7.872 1.974 -0.591 750 HD12 LEU 87 2HD1 LEU 87 8.805 2.274 0.874 751 HD13 LEU 87 3HD1 LEU 87 7.835 3.565 0.167 752 HD21 LEU 87 3HD2 LEU 87 5.832 0.272 1.952 753 HD22 LEU 87 1HD2 LEU 87 7.595 0.313 2.001 754 HD23 LEU 87 2HD2 LEU 87 6.756 0.067 0.469 755 H THR 88 H THR 88 5.063 4.853 4.092 756 HA THR 88 HA THR 88 6.447 5.065 6.529 757 HB THR 88 HB THR 88 4.087 6.711 5.555 758 HG1 THR 88 1HG THR 88 5.798 6.719 4.034 759 HG21 THR 88 3HG2 THR 88 4.620 7.097 7.939 760 HG22 THR 88 1HG2 THR 88 5.035 8.502 6.956 761 HG23 THR 88 2HG2 THR 88 6.302 7.406 7.506 762 H THR 89 H THR 89 3.203 4.036 5.763 763 HA THR 89 HA THR 89 2.108 4.119 8.375 764 HB THR 89 HB THR 89 1.248 2.503 5.963 765 HG1 THR 89 1HG THR 89 1.391 4.770 5.571 766 HG21 THR 89 3HG2 THR 89 -0.975 2.562 6.985 767 HG22 THR 89 1HG2 THR 89 -0.339 3.473 8.354 768 HG23 THR 89 2HG2 THR 89 0.168 1.805 8.093 769 H ILE 90 H ILE 90 3.725 1.606 6.469 770 HA ILE 90 HA ILE 90 3.309 -0.276 8.626 771 HB ILE 90 HB ILE 90 4.521 -1.930 7.245 772 HG12 ILE 90 2HG1 ILE 90 4.601 0.245 5.138 773 HG13 ILE 90 1HG1 ILE 90 5.998 -0.295 6.060 774 HG21 ILE 90 1HG2 ILE 90 2.121 -1.736 7.075 775 HG22 ILE 90 2HG2 ILE 90 2.812 -2.137 5.502 776 HG23 ILE 90 3HG2 ILE 90 2.285 -0.487 5.842 777 HD11 ILE 90 3HD1 ILE 90 4.379 -1.962 4.143 778 HD12 ILE 90 1HD1 ILE 90 5.762 -2.518 5.092 779 HD13 ILE 90 2HD1 ILE 90 5.984 -1.277 3.859 780 H LYS 91 H LYS 91 5.846 1.786 7.446 781 HA LYS 91 HA LYS 91 7.724 0.404 9.121 782 HB2 LYS 91 2HB LYS 91 8.331 1.152 6.783 783 HB3 LYS 91 1HB LYS 91 8.278 2.805 7.373 784 HG2 LYS 91 2HG LYS 91 10.556 1.934 7.281 785 HG3 LYS 91 1HG LYS 91 10.072 2.324 8.937 786 HD2 LYS 91 2HD LYS 91 9.564 -0.021 9.360 787 HD3 LYS 91 1HD LYS 91 9.990 -0.421 7.693 788 HE2 LYS 91 2HE LYS 91 12.244 0.164 8.086 789 HE3 LYS 91 1HE LYS 91 11.868 0.823 9.676 790 HZ1 LYS 91 3HZ LYS 91 11.211 -1.380 10.397 791 HZ2 LYS 91 1HZ LYS 91 12.804 -1.396 9.861 792 HZ3 LYS 91 2HZ LYS 91 11.581 -2.034 8.891 793 H LEU 92 H LEU 92 6.927 0.876 11.076 794 HA LEU 92 HA LEU 92 6.787 3.674 11.931 795 HB2 LEU 92 2HB LEU 92 5.896 1.155 13.328 796 HB3 LEU 92 1HB LEU 92 5.591 2.795 13.857 797 HG LEU 92 HG LEU 92 4.474 1.545 11.347 798 HD11 LEU 92 1HD1 LEU 92 3.533 0.560 13.365 799 HD12 LEU 92 2HD1 LEU 92 2.354 1.551 12.509 800 HD13 LEU 92 3HD1 LEU 92 3.132 2.172 13.964 801 HD21 LEU 92 3HD2 LEU 92 3.976 4.226 12.638 802 HD22 LEU 92 1HD2 LEU 92 3.035 3.550 11.303 803 HD23 LEU 92 2HD2 LEU 92 4.739 3.916 11.077 804 H GLU 93 H GLU 93 7.686 4.099 14.126 805 HA GLU 93 HA GLU 93 10.216 2.715 14.446 806 HB2 GLU 93 2HB GLU 93 9.768 5.337 14.511 807 HB3 GLU 93 1HB GLU 93 9.279 5.007 16.163 808 HG2 GLU 93 2HG GLU 93 11.986 4.368 14.994 809 HG3 GLU 93 1HG GLU 93 11.607 5.782 15.963 810 H HIS 94 H HIS 94 10.028 0.953 15.559 811 HA HIS 94 HA HIS 94 7.688 0.311 17.039 812 HB2 HIS 94 2HB HIS 94 9.201 -1.222 15.615 813 HB3 HIS 94 1HB HIS 94 10.183 -1.349 17.066 814 HD1 HIS 94 1HD HIS 94 7.175 -2.660 15.471 815 HD2 HIS 94 2HD HIS 94 8.773 -2.597 19.300 816 HE1 HIS 94 1HE HIS 94 5.929 -4.408 16.747 817 HE2 HIS 94 2HE HIS 94 7.024 -4.474 18.998 818 H HIS 95 H HIS 95 10.782 1.594 17.953 819 HA HIS 95 HA HIS 95 10.515 0.746 20.714 820 HB2 HIS 95 2HB HIS 95 12.754 1.012 19.602 821 HB3 HIS 95 1HB HIS 95 12.442 2.732 19.464 822 HD1 HIS 95 1HD HIS 95 13.618 0.145 21.806 823 HD2 HIS 95 2HD HIS 95 12.553 4.149 21.961 824 HE1 HIS 95 1HE HIS 95 14.496 1.003 23.999 825 HE2 HIS 95 2HE HIS 95 14.092 3.455 23.910 826 H HIS 96 H HIS 96 9.598 3.280 18.689 827 HA HIS 96 HA HIS 96 8.542 5.207 18.884 828 HB2 HIS 96 2HB HIS 96 7.484 3.883 21.359 829 HB3 HIS 96 1HB HIS 96 7.056 5.548 20.986 830 HD1 HIS 96 1HD HIS 96 5.666 2.391 20.644 831 HD2 HIS 96 2HD HIS 96 6.194 5.550 18.021 832 HE1 HIS 96 1HE HIS 96 3.946 2.065 18.843 833 HE2 HIS 96 2HE HIS 96 4.281 4.014 17.271 834 H HIS 97 H HIS 97 11.057 5.501 19.273 835 HA HIS 97 HA HIS 97 11.568 7.200 21.546 836 HB2 HIS 97 2HB HIS 97 13.331 5.948 20.231 837 HB3 HIS 97 1HB HIS 97 13.028 7.047 18.897 838 HD1 HIS 97 1HD HIS 97 14.154 9.332 18.987 839 HD2 HIS 97 2HD HIS 97 14.663 7.116 22.458 840 HE1 HIS 97 1HE HIS 97 15.885 10.544 20.314 841 HE2 HIS 97 2HE HIS 97 16.393 9.007 22.209 842 H HIS 98 H HIS 98 10.098 7.390 18.521 843 HA HIS 98 HA HIS 98 9.159 10.036 19.065 844 HB2 HIS 98 2HB HIS 98 9.595 10.950 16.855 845 HB3 HIS 98 1HB HIS 98 11.128 10.338 17.434 846 HD1 HIS 98 1HD HIS 98 12.218 8.402 16.030 847 HD2 HIS 98 2HD HIS 98 8.485 9.602 14.627 848 HE1 HIS 98 1HE HIS 98 11.967 7.357 13.778 849 HE2 HIS 98 2HE HIS 98 9.673 8.017 12.979 850 H HIS 99 H HIS 99 7.036 10.228 18.176 851 HA HIS 99 HA HIS 99 6.025 7.657 17.213 852 HB2 HIS 99 2HB HIS 99 4.994 8.585 19.311 853 HB3 HIS 99 1HB HIS 99 4.406 9.946 18.366 854 HD1 HIS 99 1HD HIS 99 2.506 9.388 16.570 855 HD2 HIS 99 2HD HIS 99 3.523 6.262 19.101 856 HE1 HIS 99 1HE HIS 99 0.698 7.668 16.283 857 HE2 HIS 99 2HE HIS 99 1.240 5.895 17.992 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -0.687 18.705 1.361 2 H2 MET 1 2HT MET 1 -0.336 17.553 2.559 3 H3 MET 1 3HT MET 1 -1.506 18.710 2.839 4 HA MET 1 HA MET 1 -2.941 17.784 1.228 5 HB2 MET 1 2HB MET 1 -0.738 15.722 0.851 6 HB3 MET 1 1HB MET 1 -2.350 15.604 0.185 7 HG2 MET 1 2HG MET 1 -0.800 16.276 -1.529 8 HG3 MET 1 1HG MET 1 -1.904 17.600 -1.209 9 HE1 MET 1 2HE MET 1 -0.352 19.312 -2.476 10 HE2 MET 1 3HE MET 1 0.747 17.990 -2.874 11 HE3 MET 1 1HE MET 1 1.378 19.481 -2.175 12 H SER 2 H SER 2 -4.353 15.961 1.847 13 HA SER 2 HA SER 2 -3.598 14.981 4.488 14 HB2 SER 2 2HB SER 2 -6.357 15.673 3.475 15 HB3 SER 2 1HB SER 2 -5.951 15.141 5.105 16 HG SER 2 HG SER 2 -5.995 17.577 4.179 17 H ILE 3 H ILE 3 -3.807 12.834 4.854 18 HA ILE 3 HA ILE 3 -5.273 11.228 2.889 19 HB ILE 3 HB ILE 3 -2.831 10.974 2.450 20 HG12 ILE 3 2HG1 ILE 3 -4.028 8.436 3.612 21 HG13 ILE 3 1HG1 ILE 3 -4.453 9.092 2.042 22 HG21 ILE 3 1HG2 ILE 3 -1.942 11.366 4.659 23 HG22 ILE 3 2HG2 ILE 3 -1.423 9.762 4.119 24 HG23 ILE 3 3HG2 ILE 3 -2.738 9.922 5.274 25 HD11 ILE 3 3HD1 ILE 3 -2.891 7.251 1.852 26 HD12 ILE 3 1HD1 ILE 3 -1.736 8.104 2.876 27 HD13 ILE 3 2HD1 ILE 3 -2.157 8.750 1.287 28 H LEU 4 H LEU 4 -4.769 12.037 6.126 29 HA LEU 4 HA LEU 4 -5.584 9.572 7.316 30 HB2 LEU 4 2HB LEU 4 -5.434 12.363 8.470 31 HB3 LEU 4 1HB LEU 4 -5.759 10.919 9.397 32 HG LEU 4 HG LEU 4 -3.192 11.418 7.883 33 HD11 LEU 4 1HD1 LEU 4 -3.454 13.015 9.698 34 HD12 LEU 4 2HD1 LEU 4 -2.206 11.829 10.081 35 HD13 LEU 4 3HD1 LEU 4 -3.803 11.697 10.817 36 HD21 LEU 4 3HD2 LEU 4 -3.951 9.329 9.926 37 HD22 LEU 4 1HD2 LEU 4 -2.351 9.550 9.219 38 HD23 LEU 4 2HD2 LEU 4 -3.701 9.052 8.202 39 H GLU 5 H GLU 5 -7.259 11.474 5.418 40 HA GLU 5 HA GLU 5 -9.773 11.782 6.754 41 HB2 GLU 5 2HB GLU 5 -9.131 11.617 3.809 42 HB3 GLU 5 1HB GLU 5 -10.661 12.114 4.490 43 HG2 GLU 5 2HG GLU 5 -9.564 14.080 5.471 44 HG3 GLU 5 1HG GLU 5 -8.037 13.569 4.740 45 H ASP 6 H ASP 6 -8.046 9.214 5.303 46 HA ASP 6 HA ASP 6 -10.407 7.741 4.524 47 HB2 ASP 6 2HB ASP 6 -8.308 7.832 3.127 48 HB3 ASP 6 1HB ASP 6 -7.549 6.826 4.357 49 HA PRO 7 HA PRO 7 -10.395 5.744 8.527 50 HB2 PRO 7 2HB PRO 7 -12.368 3.904 7.447 51 HB3 PRO 7 1HB PRO 7 -12.559 5.123 8.708 52 HG2 PRO 7 2HG PRO 7 -13.673 5.319 6.233 53 HG3 PRO 7 1HG PRO 7 -13.246 6.722 7.226 54 HD2 PRO 7 2HD PRO 7 -11.839 5.548 4.876 55 HD3 PRO 7 1HD PRO 7 -12.014 7.240 5.400 56 H GLU 8 H GLU 8 -10.018 3.980 5.463 57 HA GLU 8 HA GLU 8 -9.373 1.547 6.833 58 HB2 GLU 8 2HB GLU 8 -9.006 2.300 3.926 59 HB3 GLU 8 1HB GLU 8 -8.781 0.690 4.592 60 HG2 GLU 8 2HG GLU 8 -11.367 2.235 4.481 61 HG3 GLU 8 1HG GLU 8 -10.916 0.873 3.462 62 H PHE 9 H PHE 9 -7.752 4.266 5.509 63 HA PHE 9 HA PHE 9 -5.100 3.327 5.622 64 HB2 PHE 9 2HB PHE 9 -5.751 5.421 4.465 65 HB3 PHE 9 1HB PHE 9 -6.074 6.167 6.024 66 HD1 PHE 9 1HD PHE 9 -3.403 4.737 3.905 67 HD2 PHE 9 2HD PHE 9 -4.342 7.152 7.275 68 HE1 PHE 9 1HE PHE 9 -1.060 5.488 4.017 69 HE2 PHE 9 2HE PHE 9 -2.000 7.906 7.393 70 HZ PHE 9 HZ PHE 9 -0.362 7.073 5.763 71 H VAL 10 H VAL 10 -7.094 4.854 8.109 72 HA VAL 10 HA VAL 10 -4.942 4.803 9.974 73 HB VAL 10 HB VAL 10 -6.839 6.430 10.232 74 HG11 VAL 10 1HG1 VAL 10 -8.417 4.082 11.213 75 HG12 VAL 10 2HG1 VAL 10 -8.706 5.007 9.744 76 HG13 VAL 10 3HG1 VAL 10 -8.904 5.775 11.321 77 HG21 VAL 10 3HG2 VAL 10 -6.305 4.695 12.628 78 HG22 VAL 10 1HG2 VAL 10 -6.968 6.329 12.682 79 HG23 VAL 10 2HG2 VAL 10 -5.330 6.061 12.080 80 H LYS 11 H LYS 11 -7.535 2.583 9.206 81 HA LYS 11 HA LYS 11 -7.087 0.716 11.237 82 HB2 LYS 11 2HB LYS 11 -8.009 0.372 8.400 83 HB3 LYS 11 1HB LYS 11 -7.959 -0.928 9.588 84 HG2 LYS 11 2HG LYS 11 -9.571 0.165 10.960 85 HG3 LYS 11 1HG LYS 11 -9.504 1.612 9.960 86 HD2 LYS 11 2HD LYS 11 -11.491 0.170 9.512 87 HD3 LYS 11 1HD LYS 11 -10.498 0.487 8.097 88 HE2 LYS 11 2HE LYS 11 -9.393 -1.729 8.475 89 HE3 LYS 11 1HE LYS 11 -10.571 -2.032 9.756 90 HZ1 LYS 11 3HZ LYS 11 -12.314 -1.861 8.127 91 HZ2 LYS 11 1HZ LYS 11 -11.179 -3.002 7.634 92 HZ3 LYS 11 2HZ LYS 11 -11.203 -1.479 6.915 93 H LEU 12 H LEU 12 -5.469 1.224 8.157 94 HA LEU 12 HA LEU 12 -3.808 -1.031 8.178 95 HB2 LEU 12 2HB LEU 12 -3.293 1.721 7.064 96 HB3 LEU 12 1HB LEU 12 -2.272 0.332 6.746 97 HG LEU 12 HG LEU 12 -5.168 0.608 5.945 98 HD11 LEU 12 1HD1 LEU 12 -3.727 2.100 4.685 99 HD12 LEU 12 2HD1 LEU 12 -4.280 0.740 3.698 100 HD13 LEU 12 3HD1 LEU 12 -2.637 0.752 4.340 101 HD21 LEU 12 3HD2 LEU 12 -4.747 -1.408 4.627 102 HD22 LEU 12 1HD2 LEU 12 -4.549 -1.712 6.353 103 HD23 LEU 12 2HD2 LEU 12 -3.132 -1.520 5.322 104 H ARG 13 H ARG 13 -3.480 2.057 9.752 105 HA ARG 13 HA ARG 13 -0.849 1.722 10.755 106 HB2 ARG 13 2HB ARG 13 -3.184 3.339 11.791 107 HB3 ARG 13 1HB ARG 13 -1.560 3.428 12.456 108 HG2 ARG 13 2HG ARG 13 -2.160 3.997 9.569 109 HG3 ARG 13 1HG ARG 13 -2.212 5.241 10.821 110 HD2 ARG 13 2HD ARG 13 0.103 4.847 11.364 111 HD3 ARG 13 1HD ARG 13 0.187 3.499 10.250 112 HE ARG 13 HE ARG 13 -0.017 5.039 8.433 113 HH11 ARG 13 1HH1 ARG 13 0.416 6.637 11.553 114 HH12 ARG 13 2HH1 ARG 13 1.257 7.972 10.916 115 HH21 ARG 13 1HH2 ARG 13 1.113 6.883 7.543 116 HH22 ARG 13 2HH2 ARG 13 1.656 8.127 8.537 117 H GLN 14 H GLN 14 -3.943 0.566 11.769 118 HA GLN 14 HA GLN 14 -3.118 -0.279 14.385 119 HB2 GLN 14 2HB GLN 14 -5.548 -1.115 12.793 120 HB3 GLN 14 1HB GLN 14 -5.304 -1.382 14.515 121 HG2 GLN 14 2HG GLN 14 -5.304 1.048 14.872 122 HG3 GLN 14 1HG GLN 14 -5.575 1.289 13.149 123 HE21 GLN 14 1HE2 GLN 14 -7.428 -1.058 13.057 124 HE22 GLN 14 2HE2 GLN 14 -8.881 -0.500 13.776 125 H PHE 15 H PHE 15 -3.421 -1.810 11.212 126 HA PHE 15 HA PHE 15 -2.755 -4.430 12.171 127 HB2 PHE 15 2HB PHE 15 -2.956 -3.216 9.428 128 HB3 PHE 15 1HB PHE 15 -2.371 -4.847 9.680 129 HD1 PHE 15 2HD PHE 15 -3.923 -6.573 10.555 130 HD2 PHE 15 1HD PHE 15 -5.258 -2.678 9.503 131 HE1 PHE 15 2HE PHE 15 -6.238 -7.399 10.437 132 HE2 PHE 15 1HE PHE 15 -7.570 -3.499 9.379 133 HZ PHE 15 HZ PHE 15 -8.063 -5.862 9.847 134 H LYS 16 H LYS 16 -1.068 -1.707 10.785 135 HA LYS 16 HA LYS 16 0.984 -1.162 10.413 136 HB2 LYS 16 2HB LYS 16 1.570 -3.398 12.288 137 HB3 LYS 16 1HB LYS 16 2.888 -2.877 11.251 138 HG2 LYS 16 2HG LYS 16 1.334 -1.098 13.120 139 HG3 LYS 16 1HG LYS 16 2.929 -1.788 13.455 140 HD2 LYS 16 2HD LYS 16 3.781 -0.618 11.423 141 HD3 LYS 16 1HD LYS 16 2.210 0.155 11.249 142 HE2 LYS 16 2HE LYS 16 2.482 1.127 13.492 143 HE3 LYS 16 1HE LYS 16 4.093 0.420 13.574 144 HZ1 LYS 16 3HZ LYS 16 3.168 2.511 11.669 145 HZ2 LYS 16 1HZ LYS 16 4.648 1.728 11.535 146 HZ3 LYS 16 2HZ LYS 16 4.339 2.660 12.871 147 H GLY 17 H GLY 17 1.511 -4.639 10.130 148 HA2 GLY 17 2HA GLY 17 1.480 -4.215 7.258 149 HA3 GLY 17 1HA GLY 17 3.019 -4.700 7.942 150 H LYS 18 H LYS 18 2.916 -6.690 9.344 151 HA LYS 18 HA LYS 18 2.714 -8.934 9.478 152 HB2 LYS 18 2HB LYS 18 -0.035 -8.357 8.393 153 HB3 LYS 18 1HB LYS 18 0.467 -9.945 8.975 154 HG2 LYS 18 2HG LYS 18 0.553 -9.242 11.188 155 HG3 LYS 18 1HG LYS 18 0.710 -7.540 10.745 156 HD2 LYS 18 2HD LYS 18 -1.511 -8.011 11.642 157 HD3 LYS 18 1HD LYS 18 -1.535 -7.508 9.948 158 HE2 LYS 18 2HE LYS 18 -3.099 -9.339 10.250 159 HE3 LYS 18 1HE LYS 18 -1.733 -9.879 9.283 160 HZ1 LYS 18 3HZ LYS 18 -2.318 -11.539 10.927 161 HZ2 LYS 18 1HZ LYS 18 -2.173 -10.427 12.164 162 HZ3 LYS 18 2HZ LYS 18 -0.808 -10.914 11.325 163 H VAL 19 H VAL 19 3.166 -7.385 6.870 164 HA VAL 19 HA VAL 19 3.328 -9.658 5.013 165 HB VAL 19 HB VAL 19 3.080 -7.950 3.182 166 HG11 VAL 19 1HG1 VAL 19 0.776 -8.049 5.116 167 HG12 VAL 19 2HG1 VAL 19 1.138 -9.246 3.874 168 HG13 VAL 19 3HG1 VAL 19 0.669 -7.609 3.411 169 HG21 VAL 19 3HG2 VAL 19 3.773 -5.972 4.412 170 HG22 VAL 19 1HG2 VAL 19 2.354 -6.103 5.454 171 HG23 VAL 19 2HG2 VAL 19 2.156 -5.743 3.742 172 H ASN 20 H ASN 20 5.101 -9.233 3.398 173 HA ASN 20 HA ASN 20 7.457 -8.300 4.778 174 HB2 ASN 20 2HB ASN 20 7.139 -9.055 1.865 175 HB3 ASN 20 1HB ASN 20 8.683 -8.674 2.606 176 HD21 ASN 20 1HD2 ASN 20 7.941 -11.082 1.287 177 HD22 ASN 20 2HD2 ASN 20 8.019 -12.359 2.435 178 H PHE 21 H PHE 21 8.053 -6.286 4.969 179 HA PHE 21 HA PHE 21 6.929 -4.063 3.737 180 HB2 PHE 21 2HB PHE 21 8.290 -3.793 5.725 181 HB3 PHE 21 1HB PHE 21 9.695 -4.471 4.922 182 HD1 PHE 21 2HD PHE 21 7.511 -1.542 5.155 183 HD2 PHE 21 1HD PHE 21 11.089 -3.135 3.525 184 HE1 PHE 21 2HE PHE 21 8.205 0.711 4.491 185 HE2 PHE 21 1HE PHE 21 11.800 -0.885 2.844 186 HZ PHE 21 HZ PHE 21 10.363 1.040 3.304 187 H ASN 22 H ASN 22 9.672 -6.012 2.916 188 HA ASN 22 HA ASN 22 10.829 -4.701 0.746 189 HB2 ASN 22 2HB ASN 22 11.616 -6.795 1.956 190 HB3 ASN 22 1HB ASN 22 10.370 -7.581 0.968 191 HD21 ASN 22 1HD2 ASN 22 13.311 -5.980 0.933 192 HD22 ASN 22 2HD2 ASN 22 13.879 -6.420 -0.638 193 H LEU 23 H LEU 23 8.153 -6.939 0.923 194 HA LEU 23 HA LEU 23 7.952 -7.163 -1.893 195 HB2 LEU 23 2HB LEU 23 7.423 -9.012 -0.361 196 HB3 LEU 23 1HB LEU 23 6.068 -8.091 0.250 197 HG LEU 23 HG LEU 23 4.893 -8.292 -1.848 198 HD11 LEU 23 1HD1 LEU 23 7.362 -9.730 -2.843 199 HD12 LEU 23 2HD1 LEU 23 6.826 -8.133 -3.368 200 HD13 LEU 23 3HD1 LEU 23 5.844 -9.550 -3.716 201 HD21 LEU 23 3HD2 LEU 23 4.608 -10.672 -1.914 202 HD22 LEU 23 1HD2 LEU 23 4.788 -10.132 -0.248 203 HD23 LEU 23 2HD2 LEU 23 6.140 -10.909 -1.071 204 H VAL 24 H VAL 24 6.116 -5.508 0.654 205 HA VAL 24 HA VAL 24 4.157 -4.459 -1.111 206 HB VAL 24 HB VAL 24 5.124 -3.208 1.484 207 HG11 VAL 24 1HG1 VAL 24 3.873 -1.619 0.114 208 HG12 VAL 24 2HG1 VAL 24 2.925 -2.096 1.527 209 HG13 VAL 24 3HG1 VAL 24 2.555 -2.779 -0.052 210 HG21 VAL 24 3HG2 VAL 24 4.317 -5.499 1.758 211 HG22 VAL 24 1HG2 VAL 24 2.812 -5.040 0.963 212 HG23 VAL 24 2HG2 VAL 24 3.243 -4.315 2.512 213 H MET 25 H MET 25 7.279 -3.267 -0.064 214 HA MET 25 HA MET 25 7.273 -0.785 -1.351 215 HB2 MET 25 2HB MET 25 8.942 -1.425 0.306 216 HB3 MET 25 1HB MET 25 9.575 -2.672 -0.736 217 HG2 MET 25 2HG MET 25 10.322 -0.980 -2.297 218 HG3 MET 25 1HG MET 25 9.682 0.295 -1.249 219 HE1 MET 25 3HE MET 25 11.595 -3.072 -0.326 220 HE2 MET 25 1HE MET 25 13.247 -2.471 -0.227 221 HE3 MET 25 2HE MET 25 12.400 -2.475 -1.774 222 H GLN 26 H GLN 26 7.983 -4.004 -2.542 223 HA GLN 26 HA GLN 26 8.643 -3.133 -5.196 224 HB2 GLN 26 2HB GLN 26 9.511 -5.256 -4.382 225 HB3 GLN 26 1HB GLN 26 7.888 -5.839 -4.066 226 HG2 GLN 26 2HG GLN 26 7.433 -5.807 -6.494 227 HG3 GLN 26 1HG GLN 26 9.097 -5.291 -6.772 228 HE21 GLN 26 1HE2 GLN 26 9.501 -7.161 -7.972 229 HE22 GLN 26 2HE2 GLN 26 9.733 -8.695 -7.249 230 H ILE 27 H ILE 27 5.701 -4.371 -3.633 231 HA ILE 27 HA ILE 27 3.997 -4.624 -5.848 232 HB ILE 27 HB ILE 27 3.270 -3.643 -3.063 233 HG12 ILE 27 2HG1 ILE 27 4.286 -5.872 -2.980 234 HG13 ILE 27 1HG1 ILE 27 2.584 -5.951 -2.562 235 HG21 ILE 27 1HG2 ILE 27 0.973 -4.361 -3.498 236 HG22 ILE 27 2HG2 ILE 27 1.410 -4.737 -5.160 237 HG23 ILE 27 3HG2 ILE 27 1.491 -3.071 -4.587 238 HD11 ILE 27 3HD1 ILE 27 2.088 -6.798 -4.795 239 HD12 ILE 27 1HD1 ILE 27 3.250 -7.817 -3.948 240 HD13 ILE 27 2HD1 ILE 27 3.801 -6.711 -5.206 241 H LEU 28 H LEU 28 4.499 -1.860 -3.742 242 HA LEU 28 HA LEU 28 2.809 -0.044 -5.067 243 HB2 LEU 28 2HB LEU 28 5.221 0.460 -3.350 244 HB3 LEU 28 1HB LEU 28 4.010 1.651 -3.774 245 HG LEU 28 HG LEU 28 3.449 -0.838 -2.166 246 HD11 LEU 28 1HD1 LEU 28 3.868 1.998 -1.256 247 HD12 LEU 28 2HD1 LEU 28 4.961 0.644 -1.007 248 HD13 LEU 28 3HD1 LEU 28 3.368 0.638 -0.241 249 HD21 LEU 28 3HD2 LEU 28 1.800 1.634 -2.688 250 HD22 LEU 28 1HD2 LEU 28 1.359 0.308 -1.613 251 HD23 LEU 28 2HD2 LEU 28 1.496 0.026 -3.347 252 H ASP 29 H ASP 29 6.155 -0.905 -5.477 253 HA ASP 29 HA ASP 29 6.893 1.258 -7.210 254 HB2 ASP 29 2HB ASP 29 8.453 -0.358 -5.844 255 HB3 ASP 29 1HB ASP 29 8.114 -1.459 -7.128 256 H GLU 30 H GLU 30 5.940 -2.052 -7.604 257 HA GLU 30 HA GLU 30 6.318 -2.313 -10.357 258 HB2 GLU 30 2HB GLU 30 6.099 -4.037 -8.438 259 HB3 GLU 30 1HB GLU 30 4.377 -3.907 -8.727 260 HG2 GLU 30 2HG GLU 30 4.683 -4.690 -11.000 261 HG3 GLU 30 1HG GLU 30 6.428 -4.735 -10.754 262 H ILE 31 H ILE 31 3.445 -1.432 -8.421 263 HA ILE 31 HA ILE 31 1.745 -1.283 -10.720 264 HB ILE 31 HB ILE 31 0.124 -0.035 -9.317 265 HG12 ILE 31 2HG1 ILE 31 2.234 -0.176 -7.155 266 HG13 ILE 31 1HG1 ILE 31 1.721 1.282 -7.986 267 HG21 ILE 31 1HG2 ILE 31 -0.305 -1.763 -7.625 268 HG22 ILE 31 2HG2 ILE 31 1.288 -2.433 -7.939 269 HG23 ILE 31 3HG2 ILE 31 0.064 -2.439 -9.215 270 HD11 ILE 31 3HD1 ILE 31 0.011 -0.434 -6.217 271 HD12 ILE 31 1HD1 ILE 31 -0.506 1.043 -7.025 272 HD13 ILE 31 2HD1 ILE 31 0.740 1.110 -5.773 273 H GLU 32 H GLU 32 3.759 0.977 -9.007 274 HA GLU 32 HA GLU 32 2.951 3.380 -10.162 275 HB2 GLU 32 2HB GLU 32 4.278 3.210 -8.137 276 HB3 GLU 32 1HB GLU 32 5.597 2.484 -9.026 277 HG2 GLU 32 2HG GLU 32 5.990 4.537 -10.186 278 HG3 GLU 32 1HG GLU 32 4.608 5.307 -9.388 279 H LEU 33 H LEU 33 5.655 1.236 -11.021 280 HA LEU 33 HA LEU 33 6.484 2.762 -13.224 281 HB2 LEU 33 2HB LEU 33 7.903 0.869 -13.848 282 HB3 LEU 33 1HB LEU 33 8.021 1.244 -12.152 283 HG LEU 33 HG LEU 33 6.365 -0.727 -11.818 284 HD11 LEU 33 1HD1 LEU 33 5.748 -1.095 -14.126 285 HD12 LEU 33 2HD1 LEU 33 6.533 -2.526 -13.458 286 HD13 LEU 33 3HD1 LEU 33 7.425 -1.452 -14.539 287 HD21 LEU 33 3HD2 LEU 33 8.631 -0.792 -11.026 288 HD22 LEU 33 1HD2 LEU 33 9.224 -1.181 -12.643 289 HD23 LEU 33 2HD2 LEU 33 8.224 -2.337 -11.768 290 H ASP 34 H ASP 34 4.065 0.287 -12.974 291 HA ASP 34 HA ASP 34 3.755 -0.061 -15.804 292 HB2 ASP 34 2HB ASP 34 3.026 -1.823 -14.282 293 HB3 ASP 34 1HB ASP 34 1.855 -0.729 -13.546 294 H LEU 35 H LEU 35 2.033 1.710 -13.295 295 HA LEU 35 HA LEU 35 0.037 2.785 -14.914 296 HB2 LEU 35 2HB LEU 35 -0.107 2.668 -12.492 297 HB3 LEU 35 1HB LEU 35 1.191 3.836 -12.344 298 HG LEU 35 HG LEU 35 -0.247 5.518 -13.439 299 HD11 LEU 35 1HD1 LEU 35 -2.646 5.101 -13.618 300 HD12 LEU 35 2HD1 LEU 35 -2.360 3.394 -13.270 301 HD13 LEU 35 3HD1 LEU 35 -1.690 4.125 -14.729 302 HD21 LEU 35 3HD2 LEU 35 -1.732 5.849 -11.506 303 HD22 LEU 35 1HD2 LEU 35 -0.091 5.420 -11.025 304 HD23 LEU 35 2HD2 LEU 35 -1.365 4.207 -10.972 305 H ARG 36 H ARG 36 3.302 3.716 -14.484 306 HA ARG 36 HA ARG 36 3.098 6.335 -15.490 307 HB2 ARG 36 2HB ARG 36 5.429 4.424 -15.476 308 HB3 ARG 36 1HB ARG 36 5.550 6.067 -16.089 309 HG2 ARG 36 2HG ARG 36 4.928 5.217 -13.267 310 HG3 ARG 36 1HG ARG 36 6.414 5.967 -13.852 311 HD2 ARG 36 2HD ARG 36 3.667 7.223 -13.738 312 HD3 ARG 36 1HD ARG 36 5.068 7.634 -12.763 313 HE ARG 36 HE ARG 36 5.874 7.969 -15.360 314 HH11 ARG 36 1HH1 ARG 36 3.430 9.410 -13.246 315 HH12 ARG 36 2HH1 ARG 36 3.291 10.864 -14.095 316 HH21 ARG 36 1HH2 ARG 36 5.719 10.001 -16.574 317 HH22 ARG 36 2HH2 ARG 36 4.636 11.204 -16.060 318 H GLY 37 H GLY 37 2.015 6.572 -17.230 319 HA2 GLY 37 2HA GLY 37 2.715 6.301 -19.733 320 HA3 GLY 37 1HA GLY 37 2.125 4.672 -19.370 321 H SER 38 H SER 38 -0.009 4.327 -18.886 322 HA SER 38 HA SER 38 -2.060 6.080 -18.569 323 HB2 SER 38 2HB SER 38 -2.947 6.486 -20.888 324 HB3 SER 38 1HB SER 38 -1.475 7.376 -20.502 325 HG SER 38 HG SER 38 -0.934 4.946 -21.561 326 H ASP 39 H ASP 39 -3.250 4.464 -17.718 327 HA ASP 39 HA ASP 39 -5.029 3.265 -19.491 328 HB2 ASP 39 2HB ASP 39 -3.279 1.428 -19.624 329 HB3 ASP 39 1HB ASP 39 -3.481 1.177 -17.891 330 H ASN 40 H ASN 40 -4.027 2.083 -16.291 331 HA ASN 40 HA ASN 40 -5.685 3.825 -14.850 332 HB2 ASN 40 2HB ASN 40 -7.337 2.115 -16.093 333 HB3 ASN 40 1HB ASN 40 -6.847 1.100 -14.759 334 HD21 ASN 40 1HD2 ASN 40 -8.666 3.882 -15.626 335 HD22 ASN 40 2HD2 ASN 40 -9.350 4.189 -14.085 336 H ILE 41 H ILE 41 -5.315 3.532 -12.684 337 HA ILE 41 HA ILE 41 -3.114 1.916 -11.998 338 HB ILE 41 HB ILE 41 -3.546 4.005 -10.807 339 HG12 ILE 41 2HG1 ILE 41 -3.786 1.636 -8.931 340 HG13 ILE 41 1HG1 ILE 41 -2.288 2.200 -9.655 341 HG21 ILE 41 1HG2 ILE 41 -6.022 2.666 -9.756 342 HG22 ILE 41 2HG2 ILE 41 -5.942 4.040 -10.857 343 HG23 ILE 41 3HG2 ILE 41 -5.379 4.213 -9.195 344 HD11 ILE 41 3HD1 ILE 41 -4.012 3.734 -7.732 345 HD12 ILE 41 1HD1 ILE 41 -2.512 4.312 -8.460 346 HD13 ILE 41 2HD1 ILE 41 -2.486 2.926 -7.369 347 H LYS 42 H LYS 42 -6.556 1.426 -11.833 348 HA LYS 42 HA LYS 42 -6.834 -0.831 -10.225 349 HB2 LYS 42 2HB LYS 42 -8.121 -0.077 -12.830 350 HB3 LYS 42 1HB LYS 42 -8.634 -1.446 -11.859 351 HG2 LYS 42 2HG LYS 42 -9.234 -0.070 -10.109 352 HG3 LYS 42 1HG LYS 42 -8.561 1.373 -10.864 353 HD2 LYS 42 2HD LYS 42 -11.071 1.213 -11.117 354 HD3 LYS 42 1HD LYS 42 -10.191 1.315 -12.640 355 HE2 LYS 42 2HE LYS 42 -10.358 -1.097 -12.904 356 HE3 LYS 42 1HE LYS 42 -11.248 -1.228 -11.386 357 HZ1 LYS 42 3HZ LYS 42 -13.014 0.096 -12.361 358 HZ2 LYS 42 1HZ LYS 42 -12.701 -1.245 -13.314 359 HZ3 LYS 42 2HZ LYS 42 -12.154 0.262 -13.804 360 H THR 43 H THR 43 -6.218 -0.569 -13.600 361 HA THR 43 HA THR 43 -5.891 -3.230 -14.265 362 HB THR 43 HB THR 43 -4.368 -0.977 -15.568 363 HG1 THR 43 1HG THR 43 -6.221 -0.560 -16.661 364 HG21 THR 43 3HG2 THR 43 -5.704 -3.467 -16.610 365 HG22 THR 43 1HG2 THR 43 -3.964 -3.282 -16.382 366 HG23 THR 43 2HG2 THR 43 -4.810 -2.293 -17.580 367 H SER 44 H SER 44 -3.442 -0.774 -13.392 368 HA SER 44 HA SER 44 -1.199 -2.356 -13.485 369 HB2 SER 44 2HB SER 44 -1.762 -0.039 -11.632 370 HB3 SER 44 1HB SER 44 -0.168 -0.653 -12.093 371 HG SER 44 HG SER 44 -0.706 -0.195 -14.261 372 H ILE 45 H ILE 45 -3.510 -1.865 -10.830 373 HA ILE 45 HA ILE 45 -2.254 -3.287 -8.777 374 HB ILE 45 HB ILE 45 -5.212 -2.992 -9.406 375 HG12 ILE 45 2HG1 ILE 45 -4.133 -0.850 -8.945 376 HG13 ILE 45 1HG1 ILE 45 -5.256 -1.267 -7.659 377 HG21 ILE 45 1HG2 ILE 45 -4.008 -3.995 -6.845 378 HG22 ILE 45 2HG2 ILE 45 -4.975 -4.916 -7.995 379 HG23 ILE 45 3HG2 ILE 45 -5.709 -3.591 -7.087 380 HD11 ILE 45 3HD1 ILE 45 -2.260 -1.514 -7.567 381 HD12 ILE 45 1HD1 ILE 45 -3.361 -1.968 -6.265 382 HD13 ILE 45 2HD1 ILE 45 -3.238 -0.284 -6.771 383 H ILE 46 H ILE 46 -4.300 -4.373 -11.419 384 HA ILE 46 HA ILE 46 -4.743 -6.991 -10.543 385 HB ILE 46 HB ILE 46 -4.692 -6.034 -13.415 386 HG12 ILE 46 2HG1 ILE 46 -7.013 -6.281 -11.484 387 HG13 ILE 46 1HG1 ILE 46 -6.257 -4.768 -11.968 388 HG21 ILE 46 1HG2 ILE 46 -5.995 -8.474 -12.179 389 HG22 ILE 46 2HG2 ILE 46 -4.588 -8.483 -13.240 390 HG23 ILE 46 3HG2 ILE 46 -6.158 -7.969 -13.861 391 HD11 ILE 46 3HD1 ILE 46 -7.751 -6.671 -13.761 392 HD12 ILE 46 1HD1 ILE 46 -6.959 -5.184 -14.285 393 HD13 ILE 46 2HD1 ILE 46 -8.321 -5.109 -13.171 394 H TYR 47 H TYR 47 -2.143 -5.772 -12.695 395 HA TYR 47 HA TYR 47 -1.118 -8.323 -13.375 396 HB2 TYR 47 2HB TYR 47 0.598 -5.855 -13.051 397 HB3 TYR 47 1HB TYR 47 0.937 -7.255 -14.039 398 HD1 TYR 47 2HD TYR 47 -0.545 -7.600 -16.147 399 HD2 TYR 47 1HD TYR 47 -0.434 -4.054 -13.852 400 HE1 TYR 47 2HE TYR 47 -1.453 -6.332 -18.069 401 HE2 TYR 47 1HE TYR 47 -1.329 -2.771 -15.742 402 HH TYR 47 HH TYR 47 -1.462 -2.888 -18.030 403 H VAL 48 H VAL 48 -0.206 -5.987 -10.948 404 HA VAL 48 HA VAL 48 1.964 -7.361 -9.850 405 HB VAL 48 HB VAL 48 0.209 -5.228 -8.620 406 HG11 VAL 48 1HG1 VAL 48 2.150 -4.727 -7.220 407 HG12 VAL 48 2HG1 VAL 48 3.007 -6.107 -7.911 408 HG13 VAL 48 3HG1 VAL 48 1.560 -6.365 -6.934 409 HG21 VAL 48 3HG2 VAL 48 2.750 -5.060 -10.211 410 HG22 VAL 48 1HG2 VAL 48 1.951 -3.697 -9.436 411 HG23 VAL 48 2HG2 VAL 48 1.148 -4.560 -10.748 412 H TYR 49 H TYR 49 -1.411 -7.147 -8.773 413 HA TYR 49 HA TYR 49 -1.018 -8.776 -6.531 414 HB2 TYR 49 2HB TYR 49 -3.483 -7.958 -8.030 415 HB3 TYR 49 1HB TYR 49 -3.579 -9.108 -6.707 416 HD1 TYR 49 2HD TYR 49 -1.207 -6.269 -6.668 417 HD2 TYR 49 1HD TYR 49 -4.971 -7.719 -5.344 418 HE1 TYR 49 2HE TYR 49 -1.345 -4.411 -5.053 419 HE2 TYR 49 1HE TYR 49 -5.123 -5.875 -3.722 420 HH TYR 49 HH TYR 49 -3.800 -4.289 -2.600 421 H SER 50 H SER 50 -1.929 -9.573 -9.855 422 HA SER 50 HA SER 50 -2.499 -12.293 -9.275 423 HB2 SER 50 2HB SER 50 -1.711 -11.043 -11.914 424 HB3 SER 50 1HB SER 50 -2.493 -12.611 -11.697 425 HG SER 50 HG SER 50 -3.494 -10.026 -11.292 426 H SER 51 H SER 51 0.429 -10.564 -9.941 427 HA SER 51 HA SER 51 1.961 -12.923 -10.513 428 HB2 SER 51 2HB SER 51 2.456 -10.672 -11.497 429 HB3 SER 51 1HB SER 51 2.899 -10.107 -9.891 430 HG SER 51 HG SER 51 4.149 -11.971 -11.553 431 H HIS 52 H HIS 52 1.190 -10.973 -7.731 432 HA HIS 52 HA HIS 52 3.112 -12.477 -6.077 433 HB2 HIS 52 2HB HIS 52 2.005 -9.686 -5.666 434 HB3 HIS 52 1HB HIS 52 3.073 -10.512 -4.549 435 HD1 HIS 52 1HD HIS 52 5.573 -10.734 -5.272 436 HD2 HIS 52 2HD HIS 52 3.229 -8.544 -7.898 437 HE1 HIS 52 1HE HIS 52 7.191 -9.474 -6.757 438 HE2 HIS 52 2HE HIS 52 5.718 -8.041 -8.241 439 H LEU 53 H LEU 53 0.545 -13.424 -6.755 440 HA LEU 53 HA LEU 53 -1.646 -12.912 -5.195 441 HB2 LEU 53 2HB LEU 53 -0.676 -15.533 -6.277 442 HB3 LEU 53 1HB LEU 53 -2.211 -15.364 -5.456 443 HG LEU 53 HG LEU 53 -1.443 -13.866 -7.945 444 HD11 LEU 53 1HD1 LEU 53 -3.146 -16.345 -7.601 445 HD12 LEU 53 2HD1 LEU 53 -1.567 -16.266 -8.390 446 HD13 LEU 53 3HD1 LEU 53 -2.951 -15.441 -9.105 447 HD21 LEU 53 3HD2 LEU 53 -3.886 -13.442 -8.083 448 HD22 LEU 53 1HD2 LEU 53 -3.157 -12.730 -6.643 449 HD23 LEU 53 2HD2 LEU 53 -4.081 -14.223 -6.518 450 H ASP 54 H ASP 54 1.085 -14.875 -4.315 451 HA ASP 54 HA ASP 54 0.032 -16.205 -2.101 452 HB2 ASP 54 2HB ASP 54 2.162 -16.894 -2.911 453 HB3 ASP 54 1HB ASP 54 2.869 -15.318 -2.593 454 H GLU 55 H GLU 55 1.733 -13.058 -2.015 455 HA GLU 55 HA GLU 55 1.249 -12.851 0.802 456 HB2 GLU 55 2HB GLU 55 3.155 -11.723 -0.447 457 HB3 GLU 55 1HB GLU 55 1.966 -10.562 -1.022 458 HG2 GLU 55 2HG GLU 55 3.020 -9.559 0.848 459 HG3 GLU 55 1HG GLU 55 1.432 -10.079 1.382 460 H ILE 56 H ILE 56 -0.244 -11.698 -2.119 461 HA ILE 56 HA ILE 56 -2.027 -9.806 -1.125 462 HB ILE 56 HB ILE 56 -2.560 -11.708 -3.421 463 HG12 ILE 56 2HG1 ILE 56 -0.471 -10.576 -3.924 464 HG13 ILE 56 1HG1 ILE 56 -1.752 -9.863 -4.888 465 HG21 ILE 56 1HG2 ILE 56 -3.755 -9.009 -2.831 466 HG22 ILE 56 2HG2 ILE 56 -4.565 -10.571 -2.715 467 HG23 ILE 56 3HG2 ILE 56 -4.048 -9.962 -4.288 468 HD11 ILE 56 3HD1 ILE 56 -0.592 -8.679 -2.388 469 HD12 ILE 56 1HD1 ILE 56 -1.851 -7.967 -3.395 470 HD13 ILE 56 2HD1 ILE 56 -0.225 -8.192 -4.043 471 H ARG 57 H ARG 57 -2.567 -13.271 -1.680 472 HA ARG 57 HA ARG 57 -5.220 -13.218 -0.726 473 HB2 ARG 57 2HB ARG 57 -5.149 -15.667 -0.730 474 HB3 ARG 57 1HB ARG 57 -4.523 -14.985 -2.218 475 HG2 ARG 57 2HG ARG 57 -2.423 -15.757 -1.858 476 HG3 ARG 57 1HG ARG 57 -2.545 -15.584 -0.107 477 HD2 ARG 57 2HD ARG 57 -3.895 -17.713 -1.753 478 HD3 ARG 57 1HD ARG 57 -2.437 -17.950 -0.787 479 HE ARG 57 HE ARG 57 -5.051 -17.165 0.317 480 HH11 ARG 57 1HH1 ARG 57 -2.071 -19.023 0.638 481 HH12 ARG 57 2HH1 ARG 57 -2.448 -19.651 2.175 482 HH21 ARG 57 1HH2 ARG 57 -5.558 -17.946 2.397 483 HH22 ARG 57 2HH2 ARG 57 -4.528 -19.030 3.210 484 H LYS 58 H LYS 58 -2.186 -13.828 0.964 485 HA LYS 58 HA LYS 58 -3.496 -14.971 3.248 486 HB2 LYS 58 2HB LYS 58 -0.731 -13.774 3.137 487 HB3 LYS 58 1HB LYS 58 -1.366 -14.763 4.437 488 HG2 LYS 58 2HG LYS 58 -1.627 -16.613 2.727 489 HG3 LYS 58 1HG LYS 58 -0.701 -15.580 1.633 490 HD2 LYS 58 2HD LYS 58 0.222 -16.699 4.284 491 HD3 LYS 58 1HD LYS 58 0.797 -17.165 2.683 492 HE2 LYS 58 2HE LYS 58 1.118 -14.449 3.954 493 HE3 LYS 58 1HE LYS 58 2.371 -15.675 3.867 494 HZ1 LYS 58 3HZ LYS 58 2.400 -13.835 2.205 495 HZ2 LYS 58 1HZ LYS 58 1.074 -14.517 1.463 496 HZ3 LYS 58 2HZ LYS 58 2.529 -15.368 1.488 497 H ASN 59 H ASN 59 -2.846 -11.784 2.219 498 HA ASN 59 HA ASN 59 -3.942 -10.781 4.744 499 HB2 ASN 59 2HB ASN 59 -1.661 -9.552 3.168 500 HB3 ASN 59 1HB ASN 59 -2.456 -8.802 4.544 501 HD21 ASN 59 1HD2 ASN 59 -0.218 -11.225 3.498 502 HD22 ASN 59 2HD2 ASN 59 0.372 -11.622 5.073 503 H LYS 60 H LYS 60 -5.496 -11.401 2.801 504 HA LYS 60 HA LYS 60 -5.864 -9.599 0.733 505 HB2 LYS 60 2HB LYS 60 -8.098 -10.473 0.404 506 HB3 LYS 60 1HB LYS 60 -6.958 -11.776 0.670 507 HG2 LYS 60 2HG LYS 60 -8.812 -10.692 2.780 508 HG3 LYS 60 1HG LYS 60 -9.222 -12.045 1.730 509 HD2 LYS 60 2HD LYS 60 -7.254 -13.271 2.638 510 HD3 LYS 60 1HD LYS 60 -6.954 -11.909 3.723 511 HE2 LYS 60 2HE LYS 60 -9.118 -12.215 4.749 512 HE3 LYS 60 1HE LYS 60 -9.472 -13.559 3.662 513 HZ1 LYS 60 3HZ LYS 60 -7.506 -14.697 4.654 514 HZ2 LYS 60 1HZ LYS 60 -8.754 -14.407 5.743 515 HZ3 LYS 60 2HZ LYS 60 -7.399 -13.436 5.772 516 H GLU 61 H GLU 61 -6.949 -9.307 4.074 517 HA GLU 61 HA GLU 61 -8.758 -7.215 3.654 518 HB2 GLU 61 2HB GLU 61 -6.968 -7.467 6.074 519 HB3 GLU 61 1HB GLU 61 -8.577 -6.780 5.958 520 HG2 GLU 61 2HG GLU 61 -9.107 -8.733 6.954 521 HG3 GLU 61 1HG GLU 61 -9.186 -9.257 5.278 522 H PHE 62 H PHE 62 -5.334 -7.284 4.439 523 HA PHE 62 HA PHE 62 -4.842 -4.527 4.534 524 HB2 PHE 62 2HB PHE 62 -3.243 -6.085 5.479 525 HB3 PHE 62 1HB PHE 62 -3.018 -6.859 3.918 526 HD1 PHE 62 1HD PHE 62 -2.427 -3.687 5.760 527 HD2 PHE 62 2HD PHE 62 -1.376 -6.109 2.418 528 HE1 PHE 62 1HE PHE 62 -0.545 -2.205 5.261 529 HE2 PHE 62 2HE PHE 62 0.499 -4.626 1.925 530 HZ PHE 62 HZ PHE 62 0.917 -2.673 3.334 531 H TYR 63 H TYR 63 -4.396 -6.855 1.916 532 HA TYR 63 HA TYR 63 -3.544 -4.861 0.131 533 HB2 TYR 63 2HB TYR 63 -4.214 -7.737 -0.304 534 HB3 TYR 63 1HB TYR 63 -3.823 -6.662 -1.651 535 HD1 TYR 63 1HD TYR 63 -1.643 -5.448 -1.637 536 HD2 TYR 63 2HD TYR 63 -2.490 -8.607 1.063 537 HE1 TYR 63 1HE TYR 63 0.768 -5.683 -1.180 538 HE2 TYR 63 2HE TYR 63 -0.108 -8.863 1.522 539 HH TYR 63 HH TYR 63 2.204 -6.559 0.578 540 H ASP 64 H ASP 64 -6.701 -5.999 0.877 541 HA ASP 64 HA ASP 64 -7.870 -4.851 -1.472 542 HB2 ASP 64 2HB ASP 64 -9.044 -6.621 -0.237 543 HB3 ASP 64 1HB ASP 64 -9.147 -5.577 1.172 544 H MET 65 H MET 65 -7.467 -3.842 1.893 545 HA MET 65 HA MET 65 -8.706 -1.349 1.644 546 HB2 MET 65 2HB MET 65 -6.558 -2.275 3.545 547 HB3 MET 65 1HB MET 65 -7.316 -0.693 3.654 548 HG2 MET 65 2HG MET 65 -9.509 -1.818 3.906 549 HG3 MET 65 1HG MET 65 -8.654 -3.353 3.862 550 HE1 MET 65 3HE MET 65 -7.219 -4.338 5.797 551 HE2 MET 65 1HE MET 65 -6.656 -3.407 7.184 552 HE3 MET 65 2HE MET 65 -6.105 -2.995 5.560 553 H ILE 66 H ILE 66 -5.233 -2.176 1.345 554 HA ILE 66 HA ILE 66 -4.592 0.496 0.751 555 HB ILE 66 HB ILE 66 -2.418 -0.219 -0.130 556 HG12 ILE 66 2HG1 ILE 66 -3.218 -3.029 0.503 557 HG13 ILE 66 1HG1 ILE 66 -3.272 -2.403 -1.144 558 HG21 ILE 66 1HG2 ILE 66 -3.189 -1.559 2.443 559 HG22 ILE 66 2HG2 ILE 66 -2.631 0.105 2.231 560 HG23 ILE 66 3HG2 ILE 66 -1.537 -1.242 1.916 561 HD11 ILE 66 3HD1 ILE 66 -0.841 -2.618 0.623 562 HD12 ILE 66 1HD1 ILE 66 -0.873 -1.930 -1.001 563 HD13 ILE 66 2HD1 ILE 66 -1.221 -3.646 -0.765 564 H ALA 67 H ALA 67 -5.501 -2.167 -1.376 565 HA ALA 67 HA ALA 67 -4.836 -0.944 -3.810 566 HB1 ALA 67 1HB ALA 67 -5.515 -3.298 -3.652 567 HB2 ALA 67 2HB ALA 67 -6.464 -2.424 -4.856 568 HB3 ALA 67 3HB ALA 67 -7.159 -2.785 -3.275 569 H GLU 68 H GLU 68 -7.714 -0.742 -1.846 570 HA GLU 68 HA GLU 68 -9.277 0.877 -3.520 571 HB2 GLU 68 2HB GLU 68 -10.070 -0.351 -1.572 572 HB3 GLU 68 1HB GLU 68 -9.170 0.711 -0.494 573 HG2 GLU 68 2HG GLU 68 -11.444 1.405 -0.438 574 HG3 GLU 68 1HG GLU 68 -10.560 2.601 -1.387 575 H ILE 69 H ILE 69 -7.228 1.691 -0.753 576 HA ILE 69 HA ILE 69 -7.393 4.465 -0.875 577 HB ILE 69 HB ILE 69 -5.157 2.733 0.206 578 HG12 ILE 69 2HG1 ILE 69 -7.467 4.069 1.624 579 HG13 ILE 69 1HG1 ILE 69 -7.423 2.372 1.160 580 HG21 ILE 69 1HG2 ILE 69 -4.513 4.678 1.570 581 HG22 ILE 69 2HG2 ILE 69 -5.733 5.656 0.754 582 HG23 ILE 69 3HG2 ILE 69 -4.357 5.031 -0.154 583 HD11 ILE 69 3HD1 ILE 69 -6.885 2.678 3.501 584 HD12 ILE 69 1HD1 ILE 69 -5.535 3.725 3.058 585 HD13 ILE 69 2HD1 ILE 69 -5.517 2.021 2.603 586 H LEU 70 H LEU 70 -5.011 2.301 -2.385 587 HA LEU 70 HA LEU 70 -3.279 4.176 -3.454 588 HB2 LEU 70 2HB LEU 70 -4.152 1.532 -4.612 589 HB3 LEU 70 1HB LEU 70 -2.810 2.471 -5.230 590 HG LEU 70 HG LEU 70 -2.950 1.339 -2.433 591 HD11 LEU 70 1HD1 LEU 70 -1.303 -0.286 -3.203 592 HD12 LEU 70 2HD1 LEU 70 -1.462 0.340 -4.846 593 HD13 LEU 70 3HD1 LEU 70 -2.831 -0.452 -4.067 594 HD21 LEU 70 3HD2 LEU 70 -1.541 3.307 -2.589 595 HD22 LEU 70 1HD2 LEU 70 -0.697 2.613 -3.973 596 HD23 LEU 70 2HD2 LEU 70 -0.557 1.859 -2.387 597 H GLN 71 H GLN 71 -6.239 2.910 -4.891 598 HA GLN 71 HA GLN 71 -6.055 4.428 -7.316 599 HB2 GLN 71 2HB GLN 71 -8.502 3.282 -5.972 600 HB3 GLN 71 1HB GLN 71 -8.356 3.720 -7.666 601 HG2 GLN 71 2HG GLN 71 -6.798 1.928 -8.043 602 HG3 GLN 71 1HG GLN 71 -6.753 1.556 -6.325 603 HE21 GLN 71 1HE2 GLN 71 -7.477 -0.471 -6.474 604 HE22 GLN 71 2HE2 GLN 71 -9.041 -0.940 -7.043 605 H ARG 72 H ARG 72 -7.824 4.735 -4.339 606 HA ARG 72 HA ARG 72 -9.410 6.964 -4.834 607 HB2 ARG 72 2HB ARG 72 -9.394 5.176 -2.975 608 HB3 ARG 72 1HB ARG 72 -8.253 6.228 -2.168 609 HG2 ARG 72 2HG ARG 72 -9.898 7.969 -2.034 610 HG3 ARG 72 1HG ARG 72 -11.051 7.000 -2.968 611 HD2 ARG 72 2HD ARG 72 -10.611 5.218 -1.104 612 HD3 ARG 72 1HD ARG 72 -10.049 6.602 -0.173 613 HE ARG 72 HE ARG 72 -12.519 7.208 -1.301 614 HH11 ARG 72 1HH1 ARG 72 -11.118 5.456 1.451 615 HH12 ARG 72 2HH1 ARG 72 -12.612 5.089 2.161 616 HH21 ARG 72 1HH2 ARG 72 -14.601 6.748 -0.271 617 HH22 ARG 72 2HH2 ARG 72 -14.637 5.856 1.171 618 H TYR 73 H TYR 73 -6.171 6.699 -3.416 619 HA TYR 73 HA TYR 73 -6.090 9.558 -3.212 620 HB2 TYR 73 2HB TYR 73 -4.528 7.429 -1.871 621 HB3 TYR 73 1HB TYR 73 -3.852 9.055 -1.990 622 HD1 TYR 73 2HD TYR 73 -6.770 7.134 -0.758 623 HD2 TYR 73 1HD TYR 73 -4.642 10.801 -0.688 624 HE1 TYR 73 2HE TYR 73 -8.199 7.919 1.067 625 HE2 TYR 73 1HE TYR 73 -6.058 11.603 1.123 626 HH TYR 73 HH TYR 73 -8.192 9.567 2.814 627 H TYR 74 H TYR 74 -4.886 7.261 -5.457 628 HA TYR 74 HA TYR 74 -2.705 8.856 -6.229 629 HB2 TYR 74 2HB TYR 74 -2.340 6.937 -7.361 630 HB3 TYR 74 1HB TYR 74 -3.990 6.415 -7.120 631 HD1 TYR 74 2HD TYR 74 -1.657 8.093 -9.412 632 HD2 TYR 74 1HD TYR 74 -5.618 6.705 -8.820 633 HE1 TYR 74 2HE TYR 74 -2.092 8.332 -11.817 634 HE2 TYR 74 1HE TYR 74 -6.085 6.917 -11.144 635 HH TYR 74 HH TYR 74 -5.177 8.279 -13.090 636 H LYS 75 H LYS 75 -6.094 8.920 -6.791 637 HA LYS 75 HA LYS 75 -5.944 10.952 -8.782 638 HB2 LYS 75 2HB LYS 75 -8.258 9.865 -7.185 639 HB3 LYS 75 1HB LYS 75 -8.417 11.196 -8.321 640 HG2 LYS 75 2HG LYS 75 -7.462 8.432 -9.030 641 HG3 LYS 75 1HG LYS 75 -9.088 9.063 -9.312 642 HD2 LYS 75 2HD LYS 75 -6.547 10.231 -10.446 643 HD3 LYS 75 1HD LYS 75 -7.662 9.191 -11.333 644 HE2 LYS 75 2HE LYS 75 -9.393 10.852 -11.184 645 HE3 LYS 75 1HE LYS 75 -8.417 11.857 -10.116 646 HZ1 LYS 75 3HZ LYS 75 -6.867 12.202 -11.880 647 HZ2 LYS 75 1HZ LYS 75 -8.403 12.671 -12.385 648 HZ3 LYS 75 2HZ LYS 75 -7.725 11.224 -12.933 649 H LYS 76 H LYS 76 -6.030 10.938 -5.326 650 HA LYS 76 HA LYS 76 -6.740 13.754 -5.253 651 HB2 LYS 76 2HB LYS 76 -7.622 12.307 -3.479 652 HB3 LYS 76 1HB LYS 76 -5.986 11.904 -2.975 653 HG2 LYS 76 2HG LYS 76 -5.610 14.304 -2.410 654 HG3 LYS 76 1HG LYS 76 -7.285 14.629 -2.825 655 HD2 LYS 76 2HD LYS 76 -6.396 12.710 -0.670 656 HD3 LYS 76 1HD LYS 76 -6.882 14.377 -0.380 657 HE2 LYS 76 2HE LYS 76 -9.106 13.886 -1.251 658 HE3 LYS 76 1HE LYS 76 -8.620 12.227 -1.595 659 HZ1 LYS 76 3HZ LYS 76 -9.887 12.470 0.461 660 HZ2 LYS 76 1HZ LYS 76 -8.701 13.440 1.139 661 HZ3 LYS 76 2HZ LYS 76 -8.392 11.814 0.784 662 H ILE 77 H ILE 77 -3.887 11.784 -4.379 663 HA ILE 77 HA ILE 77 -2.354 14.290 -4.369 664 HB ILE 77 HB ILE 77 -0.851 13.311 -2.648 665 HG12 ILE 77 2HG1 ILE 77 -2.957 11.138 -2.503 666 HG13 ILE 77 1HG1 ILE 77 -1.304 10.927 -3.064 667 HG21 ILE 77 1HG2 ILE 77 -2.385 13.615 -0.767 668 HG22 ILE 77 2HG2 ILE 77 -3.756 13.474 -1.865 669 HG23 ILE 77 3HG2 ILE 77 -2.646 14.836 -2.016 670 HD11 ILE 77 3HD1 ILE 77 -2.145 11.677 -0.272 671 HD12 ILE 77 1HD1 ILE 77 -0.486 11.463 -0.825 672 HD13 ILE 77 2HD1 ILE 77 -1.592 10.089 -0.802 673 H GLY 78 H GLY 78 -2.393 10.984 -5.416 674 HA2 GLY 78 2HA GLY 78 -1.215 10.656 -7.576 675 HA3 GLY 78 1HA GLY 78 0.132 11.534 -6.861 676 H ILE 79 H ILE 79 0.102 8.830 -7.963 677 HA ILE 79 HA ILE 79 -0.142 6.969 -5.855 678 HB ILE 79 HB ILE 79 -0.442 6.194 -8.153 679 HG12 ILE 79 2HG1 ILE 79 0.964 4.155 -8.135 680 HG13 ILE 79 1HG1 ILE 79 1.970 4.877 -6.885 681 HG21 ILE 79 1HG2 ILE 79 1.445 5.919 -9.700 682 HG22 ILE 79 2HG2 ILE 79 2.470 6.812 -8.577 683 HG23 ILE 79 3HG2 ILE 79 1.090 7.608 -9.333 684 HD11 ILE 79 3HD1 ILE 79 0.382 3.258 -5.985 685 HD12 ILE 79 1HD1 ILE 79 -0.956 4.222 -6.606 686 HD13 ILE 79 2HD1 ILE 79 0.096 4.873 -5.343 687 H GLU 80 H GLU 80 2.611 8.695 -7.157 688 HA GLU 80 HA GLU 80 4.737 7.387 -5.926 689 HB2 GLU 80 2HB GLU 80 4.507 10.379 -6.110 690 HB3 GLU 80 1HB GLU 80 5.975 9.436 -6.077 691 HG2 GLU 80 2HG GLU 80 5.864 9.963 -8.304 692 HG3 GLU 80 1HG GLU 80 4.940 8.463 -8.324 693 H ASN 81 H ASN 81 2.680 9.871 -4.760 694 HA ASN 81 HA ASN 81 3.871 10.238 -2.212 695 HB2 ASN 81 2HB ASN 81 1.166 11.009 -3.277 696 HB3 ASN 81 1HB ASN 81 1.599 11.316 -1.607 697 HD21 ASN 81 1HD2 ASN 81 1.987 12.325 -4.915 698 HD22 ASN 81 2HD2 ASN 81 2.981 13.672 -4.558 699 H VAL 82 H VAL 82 1.001 8.431 -3.222 700 HA VAL 82 HA VAL 82 0.295 7.528 -0.645 701 HB VAL 82 HB VAL 82 -0.243 5.997 -3.205 702 HG11 VAL 82 1HG1 VAL 82 -2.290 5.290 -2.030 703 HG12 VAL 82 2HG1 VAL 82 -1.752 6.168 -0.600 704 HG13 VAL 82 3HG1 VAL 82 -0.821 4.791 -1.189 705 HG21 VAL 82 3HG2 VAL 82 -0.907 8.308 -3.552 706 HG22 VAL 82 1HG2 VAL 82 -1.819 8.282 -2.044 707 HG23 VAL 82 2HG2 VAL 82 -2.327 7.272 -3.396 708 H ASN 83 H ASN 83 2.347 6.193 -3.129 709 HA ASN 83 HA ASN 83 3.016 3.668 -2.257 710 HB2 ASN 83 2HB ASN 83 3.717 4.771 -4.368 711 HB3 ASN 83 1HB ASN 83 4.796 5.802 -3.466 712 HD21 ASN 83 1HD2 ASN 83 5.393 4.111 -5.676 713 HD22 ASN 83 2HD2 ASN 83 6.544 2.951 -5.171 714 H GLN 84 H GLN 84 4.543 6.722 -1.408 715 HA GLN 84 HA GLN 84 6.447 5.639 0.404 716 HB2 GLN 84 2HB GLN 84 6.408 7.869 -0.961 717 HB3 GLN 84 1HB GLN 84 5.486 8.485 0.393 718 HG2 GLN 84 2HG GLN 84 8.315 7.434 0.481 719 HG3 GLN 84 1HG GLN 84 7.832 9.122 0.537 720 HE21 GLN 84 1HE2 GLN 84 8.231 6.208 2.281 721 HE22 GLN 84 2HE2 GLN 84 7.851 6.843 3.842 722 H LEU 85 H LEU 85 3.284 7.182 0.722 723 HA LEU 85 HA LEU 85 3.277 7.385 3.535 724 HB2 LEU 85 2HB LEU 85 0.960 7.304 1.613 725 HB3 LEU 85 1HB LEU 85 0.840 7.758 3.302 726 HG LEU 85 HG LEU 85 2.443 9.236 1.212 727 HD11 LEU 85 1HD1 LEU 85 -0.149 9.955 2.540 728 HD12 LEU 85 2HD1 LEU 85 0.065 9.470 0.859 729 HD13 LEU 85 3HD1 LEU 85 0.771 10.978 1.439 730 HD21 LEU 85 3HD2 LEU 85 3.452 9.457 3.401 731 HD22 LEU 85 1HD2 LEU 85 1.885 9.883 4.099 732 HD23 LEU 85 2HD2 LEU 85 2.653 10.958 2.937 733 H ILE 86 H ILE 86 2.233 4.802 1.400 734 HA ILE 86 HA ILE 86 1.065 3.223 3.449 735 HB ILE 86 HB ILE 86 2.242 2.352 0.786 736 HG12 ILE 86 2HG1 ILE 86 0.346 3.855 0.500 737 HG13 ILE 86 1HG1 ILE 86 -0.101 2.227 0.012 738 HG21 ILE 86 1HG2 ILE 86 2.192 0.451 2.297 739 HG22 ILE 86 2HG2 ILE 86 0.966 0.265 1.041 740 HG23 ILE 86 3HG2 ILE 86 0.494 0.764 2.662 741 HD11 ILE 86 3HD1 ILE 86 -1.911 3.279 1.223 742 HD12 ILE 86 1HD1 ILE 86 -0.849 3.597 2.596 743 HD13 ILE 86 2HD1 ILE 86 -1.265 1.939 2.168 744 H LEU 87 H LEU 87 4.321 3.393 2.083 745 HA LEU 87 HA LEU 87 5.442 1.285 3.566 746 HB2 LEU 87 2HB LEU 87 6.748 3.772 2.471 747 HB3 LEU 87 1HB LEU 87 7.629 2.407 3.126 748 HG LEU 87 HG LEU 87 5.863 2.363 0.677 749 HD11 LEU 87 1HD1 LEU 87 7.951 3.531 0.301 750 HD12 LEU 87 2HD1 LEU 87 7.945 1.976 -0.533 751 HD13 LEU 87 3HD1 LEU 87 8.849 2.168 0.971 752 HD21 LEU 87 3HD2 LEU 87 5.757 0.234 1.819 753 HD22 LEU 87 1HD2 LEU 87 7.518 0.192 1.952 754 HD23 LEU 87 2HD2 LEU 87 6.746 0.092 0.370 755 H THR 88 H THR 88 5.118 4.678 4.264 756 HA THR 88 HA THR 88 6.453 4.738 6.730 757 HB THR 88 HB THR 88 4.165 6.485 5.770 758 HG1 THR 88 1HG THR 88 5.740 6.732 4.269 759 HG21 THR 88 3HG2 THR 88 5.116 8.183 7.268 760 HG22 THR 88 1HG2 THR 88 6.376 7.052 7.763 761 HG23 THR 88 2HG2 THR 88 4.691 6.739 8.181 762 H THR 89 H THR 89 3.217 3.842 5.857 763 HA THR 89 HA THR 89 2.157 3.777 8.485 764 HB THR 89 HB THR 89 1.224 2.695 5.842 765 HG1 THR 89 1HG THR 89 1.039 4.790 5.746 766 HG21 THR 89 3HG2 THR 89 -0.988 2.391 6.864 767 HG22 THR 89 1HG2 THR 89 -0.348 2.877 8.432 768 HG23 THR 89 2HG2 THR 89 0.201 1.379 7.684 769 H ILE 90 H ILE 90 3.315 1.269 6.220 770 HA ILE 90 HA ILE 90 2.701 -0.813 8.057 771 HB ILE 90 HB ILE 90 3.780 -2.362 6.498 772 HG12 ILE 90 2HG1 ILE 90 4.453 0.088 4.869 773 HG13 ILE 90 1HG1 ILE 90 5.629 -0.883 5.751 774 HG21 ILE 90 1HG2 ILE 90 1.989 -0.330 5.181 775 HG22 ILE 90 2HG2 ILE 90 1.492 -1.746 6.115 776 HG23 ILE 90 3HG2 ILE 90 2.326 -1.951 4.573 777 HD11 ILE 90 3HD1 ILE 90 3.902 -1.829 3.475 778 HD12 ILE 90 1HD1 ILE 90 5.085 -2.802 4.336 779 HD13 ILE 90 2HD1 ILE 90 5.620 -1.429 3.364 780 H LYS 91 H LYS 91 5.571 1.003 7.370 781 HA LYS 91 HA LYS 91 7.052 -0.642 9.280 782 HB2 LYS 91 2HB LYS 91 7.860 -0.008 6.847 783 HB3 LYS 91 1HB LYS 91 8.199 1.557 7.558 784 HG2 LYS 91 2HG LYS 91 10.198 0.173 7.450 785 HG3 LYS 91 1HG LYS 91 9.782 0.493 9.132 786 HD2 LYS 91 2HD LYS 91 8.741 -1.708 9.295 787 HD3 LYS 91 1HD LYS 91 9.090 -1.982 7.585 788 HE2 LYS 91 2HE LYS 91 10.702 -3.117 9.095 789 HE3 LYS 91 1HE LYS 91 11.466 -1.956 8.018 790 HZ1 LYS 91 3HZ LYS 91 12.301 -1.855 10.289 791 HZ2 LYS 91 1HZ LYS 91 10.800 -1.424 10.896 792 HZ3 LYS 91 2HZ LYS 91 11.633 -0.394 9.845 793 H LEU 92 H LEU 92 8.823 1.790 9.665 794 HA LEU 92 HA LEU 92 9.127 3.426 11.138 795 HB2 LEU 92 2HB LEU 92 7.576 4.575 9.495 796 HB3 LEU 92 1HB LEU 92 6.256 4.193 10.576 797 HG LEU 92 HG LEU 92 7.509 5.519 12.340 798 HD11 LEU 92 1HD1 LEU 92 9.684 5.544 11.312 799 HD12 LEU 92 2HD1 LEU 92 9.081 7.195 11.487 800 HD13 LEU 92 3HD1 LEU 92 9.040 6.406 9.915 801 HD21 LEU 92 3HD2 LEU 92 6.678 7.657 11.499 802 HD22 LEU 92 1HD2 LEU 92 5.516 6.364 11.205 803 HD23 LEU 92 2HD2 LEU 92 6.520 6.967 9.884 804 H GLU 93 H GLU 93 9.145 1.546 12.659 805 HA GLU 93 HA GLU 93 6.874 1.597 14.449 806 HB2 GLU 93 2HB GLU 93 7.864 -0.401 15.511 807 HB3 GLU 93 1HB GLU 93 7.598 -0.641 13.799 808 HG2 GLU 93 2HG GLU 93 10.281 0.109 14.927 809 HG3 GLU 93 1HG GLU 93 9.744 -1.559 14.794 810 H HIS 94 H HIS 94 6.915 2.667 16.240 811 HA HIS 94 HA HIS 94 9.455 3.254 17.513 812 HB2 HIS 94 2HB HIS 94 7.398 5.332 16.759 813 HB3 HIS 94 1HB HIS 94 8.560 5.591 18.050 814 HD1 HIS 94 1HD HIS 94 8.118 6.252 14.596 815 HD2 HIS 94 2HD HIS 94 11.370 5.194 16.949 816 HE1 HIS 94 1HE HIS 94 10.156 6.912 13.285 817 HE2 HIS 94 2HE HIS 94 12.097 6.133 14.665 818 H HIS 95 H HIS 95 9.113 4.108 19.744 819 HA HIS 95 HA HIS 95 8.379 3.838 21.861 820 HB2 HIS 95 2HB HIS 95 5.647 3.183 20.660 821 HB3 HIS 95 1HB HIS 95 5.949 3.485 22.361 822 HD1 HIS 95 1HD HIS 95 6.101 6.002 23.103 823 HD2 HIS 95 2HD HIS 95 5.640 5.457 19.000 824 HE1 HIS 95 1HE HIS 95 5.528 8.236 22.186 825 HE2 HIS 95 2HE HIS 95 5.044 7.838 19.750 826 H HIS 96 H HIS 96 6.858 1.874 23.101 827 HA HIS 96 HA HIS 96 8.474 -0.416 22.537 828 HB2 HIS 96 2HB HIS 96 7.564 0.074 24.848 829 HB3 HIS 96 1HB HIS 96 5.969 -0.371 24.251 830 HD1 HIS 96 1HD HIS 96 5.361 -2.754 24.799 831 HD2 HIS 96 2HD HIS 96 9.464 -2.245 24.408 832 HE1 HIS 96 1HE HIS 96 6.382 -4.991 25.284 833 HE2 HIS 96 2HE HIS 96 8.847 -4.675 24.947 834 H HIS 97 H HIS 97 4.967 0.026 22.415 835 HA HIS 97 HA HIS 97 3.324 -1.129 21.363 836 HB2 HIS 97 2HB HIS 97 3.864 0.885 20.016 837 HB3 HIS 97 1HB HIS 97 4.923 -0.100 19.025 838 HD1 HIS 97 1HD HIS 97 1.260 0.494 19.733 839 HD2 HIS 97 2HD HIS 97 3.632 -1.555 17.006 840 HE1 HIS 97 1HE HIS 97 -0.274 -0.196 17.890 841 HE2 HIS 97 2HE HIS 97 1.110 -1.701 16.471 842 H HIS 98 H HIS 98 4.338 -3.222 22.150 843 HA HIS 98 HA HIS 98 4.266 -5.079 19.965 844 HB2 HIS 98 2HB HIS 98 6.809 -4.637 21.507 845 HB3 HIS 98 1HB HIS 98 6.411 -6.243 20.933 846 HD1 HIS 98 1HD HIS 98 7.706 -2.951 19.820 847 HD2 HIS 98 2HD HIS 98 6.454 -6.503 18.078 848 HE1 HIS 98 1HE HIS 98 8.655 -2.926 17.488 849 HE2 HIS 98 2HE HIS 98 7.979 -5.147 16.494 850 H HIS 99 H HIS 99 3.468 -6.992 20.586 851 HA HIS 99 HA HIS 99 3.598 -7.820 23.355 852 HB2 HIS 99 2HB HIS 99 1.001 -7.377 21.865 853 HB3 HIS 99 1HB HIS 99 1.125 -8.543 23.172 854 HD1 HIS 99 1HD HIS 99 1.689 -7.519 25.559 855 HD2 HIS 99 2HD HIS 99 0.598 -4.796 22.624 856 HE1 HIS 99 1HE HIS 99 1.087 -5.449 26.777 857 HE2 HIS 99 2HE HIS 99 0.057 -4.009 25.015 Start of MODEL 5 1 H1 MET 1 1HT MET 1 3.690 13.361 11.169 2 H2 MET 1 2HT MET 1 4.264 11.905 10.531 3 H3 MET 1 3HT MET 1 2.771 11.960 11.307 4 HA MET 1 HA MET 1 1.821 13.290 9.662 5 HB2 MET 1 2HB MET 1 3.009 13.905 7.606 6 HB3 MET 1 1HB MET 1 3.803 14.607 8.996 7 HG2 MET 1 2HG MET 1 4.722 12.165 7.477 8 HG3 MET 1 1HG MET 1 5.386 13.787 7.320 9 HE1 MET 1 2HE MET 1 8.264 11.790 9.082 10 HE2 MET 1 3HE MET 1 7.837 12.820 7.719 11 HE3 MET 1 1HE MET 1 7.149 11.201 7.851 12 H SER 2 H SER 2 0.499 12.154 8.460 13 HA SER 2 HA SER 2 1.162 10.017 6.748 14 HB2 SER 2 2HB SER 2 -0.316 9.345 9.340 15 HB3 SER 2 1HB SER 2 -0.183 8.275 7.948 16 HG SER 2 HG SER 2 2.210 9.218 8.893 17 H ILE 3 H ILE 3 -0.756 9.603 5.421 18 HA ILE 3 HA ILE 3 -2.722 11.653 5.660 19 HB ILE 3 HB ILE 3 -3.863 10.423 3.707 20 HG12 ILE 3 2HG1 ILE 3 -1.173 9.019 3.629 21 HG13 ILE 3 1HG1 ILE 3 -2.707 8.256 4.009 22 HG21 ILE 3 1HG2 ILE 3 -2.691 12.473 3.422 23 HG22 ILE 3 2HG2 ILE 3 -2.309 11.394 2.077 24 HG23 ILE 3 3HG2 ILE 3 -1.139 11.637 3.379 25 HD11 ILE 3 3HD1 ILE 3 -2.003 7.774 1.734 26 HD12 ILE 3 1HD1 ILE 3 -1.957 9.500 1.369 27 HD13 ILE 3 2HD1 ILE 3 -3.494 8.719 1.744 28 H LEU 4 H LEU 4 -3.593 11.316 7.576 29 HA LEU 4 HA LEU 4 -4.954 8.834 8.186 30 HB2 LEU 4 2HB LEU 4 -4.628 11.381 9.759 31 HB3 LEU 4 1HB LEU 4 -5.378 9.919 10.369 32 HG LEU 4 HG LEU 4 -2.485 10.142 9.516 33 HD11 LEU 4 1HD1 LEU 4 -3.684 10.063 12.280 34 HD12 LEU 4 2HD1 LEU 4 -2.923 11.460 11.518 35 HD13 LEU 4 3HD1 LEU 4 -1.966 10.029 11.895 36 HD21 LEU 4 3HD2 LEU 4 -2.250 7.965 10.621 37 HD22 LEU 4 1HD2 LEU 4 -3.376 7.889 9.266 38 HD23 LEU 4 2HD2 LEU 4 -3.988 7.934 10.919 39 H GLU 5 H GLU 5 -5.743 11.115 6.218 40 HA GLU 5 HA GLU 5 -8.355 11.960 7.002 41 HB2 GLU 5 2HB GLU 5 -7.225 11.676 4.210 42 HB3 GLU 5 1HB GLU 5 -8.680 12.549 4.637 43 HG2 GLU 5 2HG GLU 5 -7.292 14.135 5.931 44 HG3 GLU 5 1HG GLU 5 -5.856 13.260 5.396 45 H ASP 6 H ASP 6 -7.143 8.955 6.092 46 HA ASP 6 HA ASP 6 -9.719 8.125 4.966 47 HB2 ASP 6 2HB ASP 6 -7.731 7.862 3.486 48 HB3 ASP 6 1HB ASP 6 -7.086 6.705 4.647 49 HA PRO 7 HA PRO 7 -10.189 5.659 8.692 50 HB2 PRO 7 2HB PRO 7 -12.327 4.279 7.228 51 HB3 PRO 7 1HB PRO 7 -12.412 5.231 8.710 52 HG2 PRO 7 2HG PRO 7 -13.415 6.158 6.405 53 HG3 PRO 7 1HG PRO 7 -12.634 7.228 7.580 54 HD2 PRO 7 2HD PRO 7 -11.523 6.091 5.041 55 HD3 PRO 7 1HD PRO 7 -11.412 7.735 5.719 56 H GLU 8 H GLU 8 -9.817 4.178 5.459 57 HA GLU 8 HA GLU 8 -9.565 1.529 6.572 58 HB2 GLU 8 2HB GLU 8 -8.664 2.481 3.835 59 HB3 GLU 8 1HB GLU 8 -8.941 0.819 4.331 60 HG2 GLU 8 2HG GLU 8 -10.999 2.974 3.950 61 HG3 GLU 8 1HG GLU 8 -10.704 1.608 2.887 62 H PHE 9 H PHE 9 -7.603 4.172 5.619 63 HA PHE 9 HA PHE 9 -5.023 3.093 5.775 64 HB2 PHE 9 2HB PHE 9 -5.618 5.325 4.867 65 HB3 PHE 9 1HB PHE 9 -5.926 5.887 6.505 66 HD1 PHE 9 1HD PHE 9 -3.998 6.112 8.079 67 HD2 PHE 9 2HD PHE 9 -3.480 5.242 3.952 68 HE1 PHE 9 1HE PHE 9 -1.661 6.846 8.224 69 HE2 PHE 9 2HE PHE 9 -1.139 5.969 4.090 70 HZ PHE 9 HZ PHE 9 -0.225 6.774 6.225 71 H VAL 10 H VAL 10 -7.026 4.547 8.331 72 HA VAL 10 HA VAL 10 -5.008 4.177 10.282 73 HB VAL 10 HB VAL 10 -6.860 5.843 10.607 74 HG11 VAL 10 1HG1 VAL 10 -9.002 5.165 11.541 75 HG12 VAL 10 2HG1 VAL 10 -8.568 3.476 11.278 76 HG13 VAL 10 3HG1 VAL 10 -8.762 4.558 9.901 77 HG21 VAL 10 3HG2 VAL 10 -5.470 5.255 12.493 78 HG22 VAL 10 1HG2 VAL 10 -6.503 3.872 12.857 79 HG23 VAL 10 2HG2 VAL 10 -7.127 5.513 13.033 80 H LYS 11 H LYS 11 -7.586 2.136 9.143 81 HA LYS 11 HA LYS 11 -7.411 0.086 11.075 82 HB2 LYS 11 2HB LYS 11 -8.050 -0.143 8.137 83 HB3 LYS 11 1HB LYS 11 -8.363 -1.378 9.344 84 HG2 LYS 11 2HG LYS 11 -9.953 0.072 10.444 85 HG3 LYS 11 1HG LYS 11 -9.579 1.367 9.309 86 HD2 LYS 11 2HD LYS 11 -10.327 -0.100 7.455 87 HD3 LYS 11 1HD LYS 11 -10.773 -1.307 8.657 88 HE2 LYS 11 2HE LYS 11 -12.404 0.160 9.622 89 HE3 LYS 11 1HE LYS 11 -11.881 1.478 8.575 90 HZ1 LYS 11 3HZ LYS 11 -12.974 -1.065 7.514 91 HZ2 LYS 11 1HZ LYS 11 -12.648 0.364 6.689 92 HZ3 LYS 11 2HZ LYS 11 -13.924 0.313 7.782 93 H LEU 12 H LEU 12 -5.607 0.737 8.130 94 HA LEU 12 HA LEU 12 -4.039 -1.590 8.033 95 HB2 LEU 12 2HB LEU 12 -3.410 1.212 7.143 96 HB3 LEU 12 1HB LEU 12 -2.424 -0.185 6.752 97 HG LEU 12 HG LEU 12 -5.280 0.246 5.890 98 HD11 LEU 12 1HD1 LEU 12 -3.734 1.816 4.852 99 HD12 LEU 12 2HD1 LEU 12 -4.289 0.596 3.700 100 HD13 LEU 12 3HD1 LEU 12 -2.678 0.476 4.407 101 HD21 LEU 12 3HD2 LEU 12 -3.256 -1.842 5.096 102 HD22 LEU 12 1HD2 LEU 12 -4.871 -1.655 4.423 103 HD23 LEU 12 2HD2 LEU 12 -4.664 -2.125 6.113 104 H ARG 13 H ARG 13 -3.600 1.418 9.774 105 HA ARG 13 HA ARG 13 -0.985 0.718 10.684 106 HB2 ARG 13 2HB ARG 13 -2.773 2.767 12.004 107 HB3 ARG 13 1HB ARG 13 -1.021 2.666 12.087 108 HG2 ARG 13 2HG ARG 13 -1.138 2.967 9.531 109 HG3 ARG 13 1HG ARG 13 -2.749 3.604 9.849 110 HD2 ARG 13 2HD ARG 13 -1.435 5.508 9.900 111 HD3 ARG 13 1HD ARG 13 -1.529 5.068 11.607 112 HE ARG 13 HE ARG 13 0.708 3.835 10.415 113 HH11 ARG 13 1HH1 ARG 13 -0.342 6.912 11.793 114 HH12 ARG 13 2HH1 ARG 13 1.187 7.639 11.769 115 HH21 ARG 13 1HH2 ARG 13 2.859 4.814 10.398 116 HH22 ARG 13 2HH2 ARG 13 3.054 6.412 10.976 117 H GLN 14 H GLN 14 -4.156 0.106 11.777 118 HA GLN 14 HA GLN 14 -3.373 -0.924 14.344 119 HB2 GLN 14 2HB GLN 14 -5.953 -1.114 12.789 120 HB3 GLN 14 1HB GLN 14 -5.736 -1.721 14.429 121 HG2 GLN 14 2HG GLN 14 -5.353 0.479 15.268 122 HG3 GLN 14 1HG GLN 14 -5.294 1.144 13.638 123 HE21 GLN 14 1HE2 GLN 14 -7.163 1.482 12.554 124 HE22 GLN 14 2HE2 GLN 14 -8.728 1.413 13.295 125 H PHE 15 H PHE 15 -3.492 -2.108 11.152 126 HA PHE 15 HA PHE 15 -3.645 -4.936 11.788 127 HB2 PHE 15 2HB PHE 15 -4.582 -3.903 9.690 128 HB3 PHE 15 1HB PHE 15 -2.942 -3.529 9.194 129 HD1 PHE 15 1HD PHE 15 -5.390 -6.193 9.734 130 HD2 PHE 15 2HD PHE 15 -1.527 -5.228 8.246 131 HE1 PHE 15 1HE PHE 15 -5.297 -8.365 8.593 132 HE2 PHE 15 2HE PHE 15 -1.418 -7.400 7.104 133 HZ PHE 15 HZ PHE 15 -3.305 -8.975 7.273 134 H LYS 16 H LYS 16 -1.288 -2.679 10.453 135 HA LYS 16 HA LYS 16 0.880 -2.391 10.619 136 HB2 LYS 16 2HB LYS 16 0.859 -4.479 12.813 137 HB3 LYS 16 1HB LYS 16 2.215 -3.421 12.433 138 HG2 LYS 16 2HG LYS 16 0.762 -1.475 12.888 139 HG3 LYS 16 1HG LYS 16 -0.504 -2.585 13.392 140 HD2 LYS 16 2HD LYS 16 1.002 -3.431 15.159 141 HD3 LYS 16 1HD LYS 16 2.207 -2.237 14.658 142 HE2 LYS 16 2HE LYS 16 0.505 -0.455 15.073 143 HE3 LYS 16 1HE LYS 16 -0.556 -1.693 15.737 144 HZ1 LYS 16 3HZ LYS 16 0.530 -0.744 17.575 145 HZ2 LYS 16 1HZ LYS 16 2.045 -0.758 16.807 146 HZ3 LYS 16 2HZ LYS 16 1.372 -2.198 17.274 147 H GLY 17 H GLY 17 3.080 -4.101 10.929 148 HA2 GLY 17 2HA GLY 17 3.085 -4.957 8.193 149 HA3 GLY 17 1HA GLY 17 4.455 -4.896 9.276 150 H LYS 18 H LYS 18 1.540 -6.705 8.571 151 HA LYS 18 HA LYS 18 2.784 -9.188 9.502 152 HB2 LYS 18 2HB LYS 18 0.023 -8.594 8.418 153 HB3 LYS 18 1HB LYS 18 0.565 -10.187 8.929 154 HG2 LYS 18 2HG LYS 18 0.775 -9.513 11.173 155 HG3 LYS 18 1HG LYS 18 0.617 -7.810 10.738 156 HD2 LYS 18 2HD LYS 18 -1.458 -8.667 11.744 157 HD3 LYS 18 1HD LYS 18 -1.712 -8.216 10.062 158 HE2 LYS 18 2HE LYS 18 -2.826 -10.291 10.444 159 HE3 LYS 18 1HE LYS 18 -1.419 -10.605 9.446 160 HZ1 LYS 18 3HZ LYS 18 -1.630 -11.101 12.367 161 HZ2 LYS 18 1HZ LYS 18 -0.238 -11.373 11.468 162 HZ3 LYS 18 2HZ LYS 18 -1.627 -12.261 11.177 163 H VAL 19 H VAL 19 3.048 -7.356 7.047 164 HA VAL 19 HA VAL 19 3.135 -9.355 4.889 165 HB VAL 19 HB VAL 19 2.958 -7.378 3.360 166 HG11 VAL 19 1HG1 VAL 19 0.927 -8.605 3.960 167 HG12 VAL 19 2HG1 VAL 19 0.602 -6.883 3.733 168 HG13 VAL 19 3HG1 VAL 19 0.722 -7.553 5.362 169 HG21 VAL 19 3HG2 VAL 19 2.495 -5.846 5.920 170 HG22 VAL 19 1HG2 VAL 19 2.239 -5.216 4.286 171 HG23 VAL 19 2HG2 VAL 19 3.859 -5.677 4.807 172 H ASN 20 H ASN 20 5.009 -9.100 3.496 173 HA ASN 20 HA ASN 20 7.372 -8.251 4.881 174 HB2 ASN 20 2HB ASN 20 6.895 -9.293 2.107 175 HB3 ASN 20 1HB ASN 20 8.470 -8.678 2.593 176 HD21 ASN 20 1HD2 ASN 20 6.082 -11.134 3.096 177 HD22 ASN 20 2HD2 ASN 20 7.133 -12.244 3.893 178 H PHE 21 H PHE 21 8.179 -6.301 4.990 179 HA PHE 21 HA PHE 21 6.986 -4.046 3.919 180 HB2 PHE 21 2HB PHE 21 8.497 -3.837 5.818 181 HB3 PHE 21 1HB PHE 21 9.861 -4.360 4.831 182 HD1 PHE 21 2HD PHE 21 7.495 -1.618 5.461 183 HD2 PHE 21 1HD PHE 21 10.969 -2.830 3.329 184 HE1 PHE 21 2HE PHE 21 7.887 0.708 4.772 185 HE2 PHE 21 1HE PHE 21 11.361 -0.511 2.635 186 HZ PHE 21 HZ PHE 21 9.824 1.255 3.337 187 H ASN 22 H ASN 22 9.874 -5.713 2.742 188 HA ASN 22 HA ASN 22 10.343 -3.919 0.629 189 HB2 ASN 22 2HB ASN 22 11.287 -6.768 0.976 190 HB3 ASN 22 1HB ASN 22 11.797 -5.718 -0.337 191 HD21 ASN 22 1HD2 ASN 22 13.362 -6.945 1.839 192 HD22 ASN 22 2HD2 ASN 22 14.108 -5.613 2.646 193 H LEU 23 H LEU 23 8.275 -6.640 0.937 194 HA LEU 23 HA LEU 23 7.966 -6.905 -1.878 195 HB2 LEU 23 2HB LEU 23 7.692 -8.848 -0.406 196 HB3 LEU 23 1HB LEU 23 6.319 -8.071 0.354 197 HG LEU 23 HG LEU 23 4.987 -8.308 -1.649 198 HD11 LEU 23 1HD1 LEU 23 6.726 -7.894 -3.316 199 HD12 LEU 23 2HD1 LEU 23 5.885 -9.408 -3.653 200 HD13 LEU 23 3HD1 LEU 23 7.484 -9.432 -2.912 201 HD21 LEU 23 3HD2 LEU 23 5.160 -10.233 -0.161 202 HD22 LEU 23 1HD2 LEU 23 6.526 -10.826 -1.101 203 HD23 LEU 23 2HD2 LEU 23 4.929 -10.720 -1.841 204 H VAL 24 H VAL 24 6.154 -5.384 0.755 205 HA VAL 24 HA VAL 24 3.999 -4.464 -0.829 206 HB VAL 24 HB VAL 24 5.210 -3.130 1.623 207 HG11 VAL 24 1HG1 VAL 24 2.470 -2.808 0.395 208 HG12 VAL 24 2HG1 VAL 24 3.760 -1.604 0.368 209 HG13 VAL 24 3HG1 VAL 24 3.017 -2.065 1.899 210 HG21 VAL 24 3HG2 VAL 24 2.939 -5.082 1.373 211 HG22 VAL 24 1HG2 VAL 24 3.454 -4.275 2.852 212 HG23 VAL 24 2HG2 VAL 24 4.533 -5.416 2.046 213 H MET 25 H MET 25 7.110 -3.038 -0.009 214 HA MET 25 HA MET 25 6.889 -0.632 -1.412 215 HB2 MET 25 2HB MET 25 8.703 -1.053 0.145 216 HB3 MET 25 1HB MET 25 9.333 -2.346 -0.845 217 HG2 MET 25 2HG MET 25 9.881 -0.712 -2.599 218 HG3 MET 25 1HG MET 25 9.244 0.578 -1.582 219 HE1 MET 25 3HE MET 25 12.066 -2.094 -2.064 220 HE2 MET 25 1HE MET 25 11.399 -2.589 -0.509 221 HE3 MET 25 2HE MET 25 13.021 -1.908 -0.591 222 H GLN 26 H GLN 26 7.849 -3.833 -2.479 223 HA GLN 26 HA GLN 26 8.389 -3.102 -5.145 224 HB2 GLN 26 2HB GLN 26 9.269 -5.177 -4.266 225 HB3 GLN 26 1HB GLN 26 7.652 -5.761 -3.926 226 HG2 GLN 26 2HG GLN 26 7.160 -5.944 -6.274 227 HG3 GLN 26 1HG GLN 26 8.695 -5.193 -6.691 228 HE21 GLN 26 1HE2 GLN 26 9.226 -7.005 -7.937 229 HE22 GLN 26 2HE2 GLN 26 9.769 -8.462 -7.216 230 H ILE 27 H ILE 27 5.456 -4.350 -3.565 231 HA ILE 27 HA ILE 27 3.795 -4.663 -5.809 232 HB ILE 27 HB ILE 27 3.013 -3.724 -3.027 233 HG12 ILE 27 2HG1 ILE 27 4.120 -5.903 -2.964 234 HG13 ILE 27 1HG1 ILE 27 2.421 -6.066 -2.557 235 HG21 ILE 27 1HG2 ILE 27 1.222 -4.856 -5.162 236 HG22 ILE 27 2HG2 ILE 27 1.228 -3.202 -4.555 237 HG23 ILE 27 3HG2 ILE 27 0.748 -4.529 -3.495 238 HD11 ILE 27 3HD1 ILE 27 1.990 -6.892 -4.823 239 HD12 ILE 27 1HD1 ILE 27 3.157 -7.883 -3.950 240 HD13 ILE 27 2HD1 ILE 27 3.713 -6.757 -5.185 241 H LEU 28 H LEU 28 4.359 -1.864 -3.799 242 HA LEU 28 HA LEU 28 2.617 -0.070 -5.121 243 HB2 LEU 28 2HB LEU 28 5.054 0.427 -3.435 244 HB3 LEU 28 1HB LEU 28 3.854 1.632 -3.857 245 HG LEU 28 HG LEU 28 3.247 -0.837 -2.228 246 HD11 LEU 28 1HD1 LEU 28 3.785 1.981 -1.306 247 HD12 LEU 28 2HD1 LEU 28 4.828 0.586 -1.049 248 HD13 LEU 28 3HD1 LEU 28 3.237 0.646 -0.296 249 HD21 LEU 28 3HD2 LEU 28 1.318 0.120 -3.378 250 HD22 LEU 28 1HD2 LEU 28 1.712 1.703 -2.702 251 HD23 LEU 28 2HD2 LEU 28 1.222 0.388 -1.637 252 H ASP 29 H ASP 29 5.956 -0.976 -5.544 253 HA ASP 29 HA ASP 29 6.746 1.126 -7.324 254 HB2 ASP 29 2HB ASP 29 8.228 -0.401 -5.913 255 HB3 ASP 29 1HB ASP 29 7.877 -1.631 -7.073 256 H GLU 30 H GLU 30 5.703 -2.181 -7.683 257 HA GLU 30 HA GLU 30 5.986 -2.666 -10.389 258 HB2 GLU 30 2HB GLU 30 3.614 -3.467 -8.713 259 HB3 GLU 30 1HB GLU 30 4.141 -4.183 -10.213 260 HG2 GLU 30 2HG GLU 30 5.708 -4.288 -7.650 261 HG3 GLU 30 1HG GLU 30 4.524 -5.480 -8.179 262 H ILE 31 H ILE 31 3.155 -1.410 -8.685 263 HA ILE 31 HA ILE 31 1.658 -0.964 -11.072 264 HB ILE 31 HB ILE 31 0.025 0.282 -9.688 265 HG12 ILE 31 2HG1 ILE 31 1.966 -0.220 -7.418 266 HG13 ILE 31 1HG1 ILE 31 1.604 1.350 -8.121 267 HG21 ILE 31 1HG2 ILE 31 -0.093 -2.146 -9.856 268 HG22 ILE 31 2HG2 ILE 31 -0.654 -1.559 -8.291 269 HG23 ILE 31 3HG2 ILE 31 0.945 -2.287 -8.429 270 HD11 ILE 31 3HD1 ILE 31 0.449 1.025 -6.015 271 HD12 ILE 31 1HD1 ILE 31 -0.329 -0.423 -6.655 272 HD13 ILE 31 2HD1 ILE 31 -0.702 1.154 -7.349 273 H GLU 32 H GLU 32 3.743 1.033 -9.160 274 HA GLU 32 HA GLU 32 3.096 3.543 -10.220 275 HB2 GLU 32 2HB GLU 32 4.385 3.212 -8.175 276 HB3 GLU 32 1HB GLU 32 5.680 2.470 -9.099 277 HG2 GLU 32 2HG GLU 32 6.068 4.544 -10.238 278 HG3 GLU 32 1HG GLU 32 4.775 5.326 -9.311 279 H LEU 33 H LEU 33 5.667 1.253 -11.053 280 HA LEU 33 HA LEU 33 6.515 2.765 -13.298 281 HB2 LEU 33 2HB LEU 33 8.003 0.874 -13.813 282 HB3 LEU 33 1HB LEU 33 8.157 1.438 -12.172 283 HG LEU 33 HG LEU 33 6.598 -0.561 -11.594 284 HD11 LEU 33 1HD1 LEU 33 7.662 -1.505 -14.246 285 HD12 LEU 33 2HD1 LEU 33 5.974 -1.175 -13.852 286 HD13 LEU 33 3HD1 LEU 33 6.824 -2.493 -13.047 287 HD21 LEU 33 3HD2 LEU 33 8.500 -2.004 -11.333 288 HD22 LEU 33 1HD2 LEU 33 8.904 -0.344 -10.915 289 HD23 LEU 33 2HD2 LEU 33 9.436 -1.020 -12.463 290 H ASP 34 H ASP 34 4.215 0.219 -12.892 291 HA ASP 34 HA ASP 34 4.078 -0.479 -15.659 292 HB2 ASP 34 2HB ASP 34 3.412 -2.081 -13.938 293 HB3 ASP 34 1HB ASP 34 2.121 -1.008 -13.418 294 H LEU 35 H LEU 35 2.110 1.551 -13.519 295 HA LEU 35 HA LEU 35 0.144 2.138 -15.476 296 HB2 LEU 35 2HB LEU 35 0.094 2.415 -12.886 297 HB3 LEU 35 1HB LEU 35 0.878 3.940 -13.186 298 HG LEU 35 HG LEU 35 -1.933 3.118 -13.906 299 HD11 LEU 35 1HD1 LEU 35 -0.873 5.348 -12.214 300 HD12 LEU 35 2HD1 LEU 35 -1.551 3.822 -11.651 301 HD13 LEU 35 3HD1 LEU 35 -2.574 4.971 -12.520 302 HD21 LEU 35 3HD2 LEU 35 -0.570 5.698 -14.711 303 HD22 LEU 35 1HD2 LEU 35 -2.286 5.335 -14.900 304 HD23 LEU 35 2HD2 LEU 35 -1.082 4.422 -15.813 305 H ARG 36 H ARG 36 2.765 4.131 -14.097 306 HA ARG 36 HA ARG 36 3.622 6.136 -14.683 307 HB2 ARG 36 2HB ARG 36 3.379 5.073 -17.522 308 HB3 ARG 36 1HB ARG 36 4.356 6.444 -17.033 309 HG2 ARG 36 2HG ARG 36 4.758 3.584 -16.206 310 HG3 ARG 36 1HG ARG 36 5.707 4.478 -17.393 311 HD2 ARG 36 2HD ARG 36 6.378 6.052 -15.590 312 HD3 ARG 36 1HD ARG 36 5.489 5.049 -14.443 313 HE ARG 36 HE ARG 36 7.194 3.398 -15.832 314 HH11 ARG 36 1HH1 ARG 36 7.481 6.068 -13.505 315 HH12 ARG 36 2HH1 ARG 36 8.957 5.548 -12.868 316 HH21 ARG 36 1HH2 ARG 36 9.271 2.698 -14.956 317 HH22 ARG 36 2HH2 ARG 36 10.016 3.592 -13.728 318 H GLY 37 H GLY 37 1.779 5.954 -17.668 319 HA2 GLY 37 2HA GLY 37 -0.406 7.507 -16.603 320 HA3 GLY 37 1HA GLY 37 0.584 8.306 -17.825 321 H SER 38 H SER 38 -0.032 4.847 -17.712 322 HA SER 38 HA SER 38 -0.984 5.068 -20.417 323 HB2 SER 38 2HB SER 38 -0.762 2.558 -20.464 324 HB3 SER 38 1HB SER 38 0.733 3.446 -20.159 325 HG SER 38 HG SER 38 0.646 2.865 -18.028 326 H ASP 39 H ASP 39 -2.216 2.610 -18.111 327 HA ASP 39 HA ASP 39 -4.828 3.278 -19.255 328 HB2 ASP 39 2HB ASP 39 -4.086 0.956 -19.621 329 HB3 ASP 39 1HB ASP 39 -4.076 0.698 -17.876 330 H ASN 40 H ASN 40 -3.915 1.831 -16.095 331 HA ASN 40 HA ASN 40 -5.106 3.966 -14.627 332 HB2 ASN 40 2HB ASN 40 -7.082 2.535 -15.651 333 HB3 ASN 40 1HB ASN 40 -6.615 1.419 -14.413 334 HD21 ASN 40 1HD2 ASN 40 -7.985 4.581 -14.917 335 HD22 ASN 40 2HD2 ASN 40 -8.545 4.799 -13.313 336 H ILE 41 H ILE 41 -5.038 3.516 -12.363 337 HA ILE 41 HA ILE 41 -2.824 1.910 -11.677 338 HB ILE 41 HB ILE 41 -3.232 3.950 -10.445 339 HG12 ILE 41 2HG1 ILE 41 -3.623 1.552 -8.645 340 HG13 ILE 41 1HG1 ILE 41 -2.081 2.079 -9.307 341 HG21 ILE 41 1HG2 ILE 41 -5.111 4.167 -8.879 342 HG22 ILE 41 2HG2 ILE 41 -5.803 2.684 -9.557 343 HG23 ILE 41 3HG2 ILE 41 -5.610 4.110 -10.569 344 HD11 ILE 41 3HD1 ILE 41 -3.823 3.583 -7.390 345 HD12 ILE 41 1HD1 ILE 41 -2.312 4.180 -8.093 346 HD13 ILE 41 2HD1 ILE 41 -2.293 2.755 -7.054 347 H LYS 42 H LYS 42 -6.337 1.426 -11.374 348 HA LYS 42 HA LYS 42 -6.108 -0.908 -9.780 349 HB2 LYS 42 2HB LYS 42 -8.418 -1.473 -10.524 350 HB3 LYS 42 1HB LYS 42 -8.266 0.149 -9.868 351 HG2 LYS 42 2HG LYS 42 -8.351 1.104 -12.078 352 HG3 LYS 42 1HG LYS 42 -8.301 -0.500 -12.803 353 HD2 LYS 42 2HD LYS 42 -10.501 0.298 -10.919 354 HD3 LYS 42 1HD LYS 42 -10.572 0.687 -12.636 355 HE2 LYS 42 2HE LYS 42 -10.190 -2.105 -11.548 356 HE3 LYS 42 1HE LYS 42 -11.751 -1.433 -12.013 357 HZ1 LYS 42 3HZ LYS 42 -10.841 -1.111 -14.265 358 HZ2 LYS 42 1HZ LYS 42 -10.855 -2.731 -13.826 359 HZ3 LYS 42 2HZ LYS 42 -9.424 -1.869 -13.840 360 H THR 43 H THR 43 -5.929 -0.337 -13.190 361 HA THR 43 HA THR 43 -6.121 -2.964 -14.068 362 HB THR 43 HB THR 43 -4.507 -0.738 -15.301 363 HG1 THR 43 1HG THR 43 -6.502 -0.203 -16.277 364 HG21 THR 43 3HG2 THR 43 -5.224 -1.810 -17.385 365 HG22 THR 43 1HG2 THR 43 -6.112 -3.017 -16.458 366 HG23 THR 43 2HG2 THR 43 -4.352 -2.958 -16.364 367 H SER 44 H SER 44 -3.389 -0.853 -13.202 368 HA SER 44 HA SER 44 -1.392 -2.752 -13.590 369 HB2 SER 44 2HB SER 44 -1.446 -0.353 -11.745 370 HB3 SER 44 1HB SER 44 0.005 -1.226 -12.254 371 HG SER 44 HG SER 44 -0.376 -0.668 -14.342 372 H ILE 45 H ILE 45 -3.376 -1.965 -10.780 373 HA ILE 45 HA ILE 45 -2.283 -3.602 -8.815 374 HB ILE 45 HB ILE 45 -5.178 -2.866 -9.350 375 HG12 ILE 45 2HG1 ILE 45 -3.650 -1.014 -8.717 376 HG13 ILE 45 1HG1 ILE 45 -4.952 -1.256 -7.561 377 HG21 ILE 45 1HG2 ILE 45 -5.240 -4.922 -8.100 378 HG22 ILE 45 2HG2 ILE 45 -5.767 -3.575 -7.086 379 HG23 ILE 45 3HG2 ILE 45 -4.150 -4.249 -6.887 380 HD11 ILE 45 3HD1 ILE 45 -2.803 -0.774 -6.491 381 HD12 ILE 45 1HD1 ILE 45 -2.119 -2.230 -7.209 382 HD13 ILE 45 2HD1 ILE 45 -3.431 -2.353 -6.038 383 H ILE 46 H ILE 46 -4.592 -4.413 -11.370 384 HA ILE 46 HA ILE 46 -5.207 -7.018 -10.662 385 HB ILE 46 HB ILE 46 -4.968 -5.883 -13.465 386 HG12 ILE 46 2HG1 ILE 46 -7.373 -6.197 -11.658 387 HG13 ILE 46 1HG1 ILE 46 -6.545 -4.683 -11.994 388 HG21 ILE 46 1HG2 ILE 46 -4.943 -8.323 -13.524 389 HG22 ILE 46 2HG2 ILE 46 -6.476 -7.705 -14.144 390 HG23 ILE 46 3HG2 ILE 46 -6.391 -8.375 -12.516 391 HD11 ILE 46 3HD1 ILE 46 -7.169 -4.886 -14.357 392 HD12 ILE 46 1HD1 ILE 46 -8.575 -4.857 -13.295 393 HD13 ILE 46 2HD1 ILE 46 -8.028 -6.380 -13.989 394 H TYR 47 H TYR 47 -2.551 -5.928 -12.769 395 HA TYR 47 HA TYR 47 -1.593 -8.510 -13.389 396 HB2 TYR 47 2HB TYR 47 0.192 -6.090 -13.154 397 HB3 TYR 47 1HB TYR 47 0.421 -7.497 -14.169 398 HD1 TYR 47 2HD TYR 47 -1.834 -7.827 -15.799 399 HD2 TYR 47 1HD TYR 47 -0.244 -4.217 -14.251 400 HE1 TYR 47 2HE TYR 47 -2.880 -6.580 -17.651 401 HE2 TYR 47 1HE TYR 47 -1.262 -2.953 -16.049 402 HH TYR 47 HH TYR 47 -3.614 -4.302 -18.147 403 H VAL 48 H VAL 48 -0.477 -6.152 -11.017 404 HA VAL 48 HA VAL 48 1.633 -7.565 -9.928 405 HB VAL 48 HB VAL 48 -0.110 -5.471 -8.643 406 HG11 VAL 48 1HG1 VAL 48 1.890 -4.963 -7.290 407 HG12 VAL 48 2HG1 VAL 48 2.692 -6.376 -7.986 408 HG13 VAL 48 3HG1 VAL 48 1.260 -6.581 -6.986 409 HG21 VAL 48 3HG2 VAL 48 0.751 -4.736 -10.763 410 HG22 VAL 48 1HG2 VAL 48 2.373 -5.261 -10.315 411 HG23 VAL 48 2HG2 VAL 48 1.613 -3.919 -9.462 412 H TYR 49 H TYR 49 -1.725 -7.405 -8.849 413 HA TYR 49 HA TYR 49 -1.251 -9.004 -6.585 414 HB2 TYR 49 2HB TYR 49 -3.798 -8.074 -7.899 415 HB3 TYR 49 1HB TYR 49 -3.790 -9.166 -6.515 416 HD1 TYR 49 1HD TYR 49 -1.427 -6.326 -7.009 417 HD2 TYR 49 2HD TYR 49 -4.846 -7.749 -4.922 418 HE1 TYR 49 1HE TYR 49 -1.285 -4.410 -5.495 419 HE2 TYR 49 2HE TYR 49 -4.710 -5.821 -3.398 420 HH TYR 49 HH TYR 49 -2.729 -3.134 -4.018 421 H SER 50 H SER 50 -2.044 -9.754 -9.876 422 HA SER 50 HA SER 50 -2.736 -12.485 -9.287 423 HB2 SER 50 2HB SER 50 -2.043 -11.170 -11.927 424 HB3 SER 50 1HB SER 50 -2.820 -12.744 -11.722 425 HG SER 50 HG SER 50 -3.829 -10.176 -11.376 426 H SER 51 H SER 51 0.105 -10.673 -10.000 427 HA SER 51 HA SER 51 1.807 -12.872 -10.619 428 HB2 SER 51 2HB SER 51 2.340 -10.685 -11.479 429 HB3 SER 51 1HB SER 51 2.307 -9.983 -9.867 430 HG SER 51 HG SER 51 4.230 -11.594 -11.100 431 H HIS 52 H HIS 52 1.327 -10.798 -7.791 432 HA HIS 52 HA HIS 52 3.170 -12.479 -6.250 433 HB2 HIS 52 2HB HIS 52 2.059 -9.713 -5.682 434 HB3 HIS 52 1HB HIS 52 3.192 -10.560 -4.644 435 HD1 HIS 52 1HD HIS 52 5.691 -10.657 -5.470 436 HD2 HIS 52 2HD HIS 52 3.161 -8.524 -7.994 437 HE1 HIS 52 1HE HIS 52 7.199 -9.297 -6.967 438 HE2 HIS 52 2HE HIS 52 5.663 -8.003 -8.483 439 H LEU 53 H LEU 53 0.937 -13.760 -6.684 440 HA LEU 53 HA LEU 53 -1.420 -13.383 -5.325 441 HB2 LEU 53 2HB LEU 53 -0.039 -15.964 -5.987 442 HB3 LEU 53 1HB LEU 53 -1.667 -15.882 -5.358 443 HG LEU 53 HG LEU 53 -0.789 -14.641 -7.965 444 HD11 LEU 53 1HD1 LEU 53 -2.250 -17.227 -7.427 445 HD12 LEU 53 2HD1 LEU 53 -0.603 -17.077 -8.039 446 HD13 LEU 53 3HD1 LEU 53 -1.963 -16.512 -9.012 447 HD21 LEU 53 3HD2 LEU 53 -2.747 -13.558 -6.992 448 HD22 LEU 53 1HD2 LEU 53 -3.516 -15.130 -6.766 449 HD23 LEU 53 2HD2 LEU 53 -3.208 -14.525 -8.390 450 H ASP 54 H ASP 54 1.410 -15.114 -4.058 451 HA ASP 54 HA ASP 54 0.197 -16.204 -1.815 452 HB2 ASP 54 2HB ASP 54 2.248 -17.138 -2.229 453 HB3 ASP 54 1HB ASP 54 3.051 -15.591 -2.439 454 H GLU 55 H GLU 55 1.962 -13.093 -1.871 455 HA GLU 55 HA GLU 55 1.456 -12.737 0.918 456 HB2 GLU 55 2HB GLU 55 3.348 -11.681 -0.427 457 HB3 GLU 55 1HB GLU 55 2.152 -10.534 -1.016 458 HG2 GLU 55 2HG GLU 55 3.330 -9.516 0.789 459 HG3 GLU 55 1HG GLU 55 1.708 -9.894 1.365 460 H ILE 56 H ILE 56 -0.153 -11.853 -2.019 461 HA ILE 56 HA ILE 56 -1.917 -9.901 -1.001 462 HB ILE 56 HB ILE 56 -2.430 -11.798 -3.314 463 HG12 ILE 56 2HG1 ILE 56 -0.419 -10.540 -3.865 464 HG13 ILE 56 1HG1 ILE 56 -1.770 -9.898 -4.773 465 HG21 ILE 56 1HG2 ILE 56 -4.479 -10.787 -2.556 466 HG22 ILE 56 2HG2 ILE 56 -4.022 -10.113 -4.120 467 HG23 ILE 56 3HG2 ILE 56 -3.757 -9.179 -2.649 468 HD11 ILE 56 3HD1 ILE 56 -0.337 -8.137 -3.957 469 HD12 ILE 56 1HD1 ILE 56 -0.604 -8.667 -2.297 470 HD13 ILE 56 2HD1 ILE 56 -1.946 -8.026 -3.237 471 H ARG 57 H ARG 57 -2.295 -13.400 -1.472 472 HA ARG 57 HA ARG 57 -4.969 -13.415 -0.512 473 HB2 ARG 57 2HB ARG 57 -4.891 -15.820 -0.639 474 HB3 ARG 57 1HB ARG 57 -4.099 -15.149 -2.051 475 HG2 ARG 57 2HG ARG 57 -1.921 -15.593 -0.991 476 HG3 ARG 57 1HG ARG 57 -2.763 -16.332 0.369 477 HD2 ARG 57 2HD ARG 57 -3.796 -17.935 -1.198 478 HD3 ARG 57 1HD ARG 57 -2.837 -17.227 -2.502 479 HE ARG 57 HE ARG 57 -1.782 -18.640 -0.163 480 HH11 ARG 57 1HH1 ARG 57 -1.458 -17.661 -3.565 481 HH12 ARG 57 2HH1 ARG 57 -0.064 -18.604 -3.827 482 HH21 ARG 57 1HH2 ARG 57 0.140 -19.960 -0.589 483 HH22 ARG 57 2HH2 ARG 57 0.826 -19.933 -2.142 484 H LYS 58 H LYS 58 -1.897 -13.748 1.076 485 HA LYS 58 HA LYS 58 -2.852 -14.916 3.494 486 HB2 LYS 58 2HB LYS 58 -0.356 -13.317 2.916 487 HB3 LYS 58 1HB LYS 58 -0.677 -14.136 4.435 488 HG2 LYS 58 2HG LYS 58 -0.584 -15.564 1.805 489 HG3 LYS 58 1HG LYS 58 0.849 -15.315 2.803 490 HD2 LYS 58 2HD LYS 58 -0.187 -16.547 4.612 491 HD3 LYS 58 1HD LYS 58 -1.667 -16.734 3.673 492 HE2 LYS 58 2HE LYS 58 -0.235 -18.763 3.627 493 HE3 LYS 58 1HE LYS 58 -0.503 -18.073 2.029 494 HZ1 LYS 58 3HZ LYS 58 1.807 -18.804 2.637 495 HZ2 LYS 58 1HZ LYS 58 1.923 -17.471 3.624 496 HZ3 LYS 58 2HZ LYS 58 1.713 -17.305 1.923 497 H ASN 59 H ASN 59 -2.504 -11.656 2.300 498 HA ASN 59 HA ASN 59 -3.754 -10.655 4.768 499 HB2 ASN 59 2HB ASN 59 -1.548 -9.253 3.232 500 HB3 ASN 59 1HB ASN 59 -2.356 -8.656 4.673 501 HD21 ASN 59 1HD2 ASN 59 0.043 -10.799 3.404 502 HD22 ASN 59 2HD2 ASN 59 0.742 -11.225 4.912 503 H LYS 60 H LYS 60 -5.342 -11.274 2.848 504 HA LYS 60 HA LYS 60 -5.557 -9.556 0.658 505 HB2 LYS 60 2HB LYS 60 -7.873 -10.405 0.373 506 HB3 LYS 60 1HB LYS 60 -6.676 -11.674 0.556 507 HG2 LYS 60 2HG LYS 60 -7.343 -11.971 2.879 508 HG3 LYS 60 1HG LYS 60 -8.551 -10.696 2.699 509 HD2 LYS 60 2HD LYS 60 -9.704 -12.006 1.018 510 HD3 LYS 60 1HD LYS 60 -8.473 -13.264 1.113 511 HE2 LYS 60 2HE LYS 60 -9.063 -13.631 3.471 512 HE3 LYS 60 1HE LYS 60 -10.304 -12.389 3.342 513 HZ1 LYS 60 3HZ LYS 60 -10.235 -14.959 1.855 514 HZ2 LYS 60 1HZ LYS 60 -11.397 -13.754 1.648 515 HZ3 LYS 60 2HZ LYS 60 -11.273 -14.547 3.115 516 H GLU 61 H GLU 61 -6.870 -9.229 3.916 517 HA GLU 61 HA GLU 61 -8.591 -7.094 3.368 518 HB2 GLU 61 2HB GLU 61 -7.074 -7.764 5.876 519 HB3 GLU 61 1HB GLU 61 -8.405 -6.628 5.757 520 HG2 GLU 61 2HG GLU 61 -9.852 -8.493 4.994 521 HG3 GLU 61 1HG GLU 61 -8.511 -9.593 5.309 522 H PHE 62 H PHE 62 -5.188 -7.247 4.170 523 HA PHE 62 HA PHE 62 -4.737 -4.463 4.507 524 HB2 PHE 62 2HB PHE 62 -3.161 -6.146 5.376 525 HB3 PHE 62 1HB PHE 62 -2.828 -6.697 3.744 526 HD1 PHE 62 2HD PHE 62 -2.294 -3.975 6.164 527 HD2 PHE 62 1HD PHE 62 -1.277 -5.523 2.327 528 HE1 PHE 62 2HE PHE 62 -0.414 -2.396 6.024 529 HE2 PHE 62 1HE PHE 62 0.604 -3.950 2.188 530 HZ PHE 62 HZ PHE 62 1.038 -2.384 4.034 531 H TYR 63 H TYR 63 -4.241 -6.685 1.810 532 HA TYR 63 HA TYR 63 -3.349 -4.664 0.083 533 HB2 TYR 63 2HB TYR 63 -4.069 -7.524 -0.378 534 HB3 TYR 63 1HB TYR 63 -3.628 -6.452 -1.712 535 HD1 TYR 63 1HD TYR 63 -1.451 -5.273 -1.659 536 HD2 TYR 63 2HD TYR 63 -2.380 -8.407 1.045 537 HE1 TYR 63 1HE TYR 63 0.936 -5.512 -1.141 538 HE2 TYR 63 2HE TYR 63 -0.000 -8.670 1.571 539 HH TYR 63 HH TYR 63 2.171 -8.171 0.507 540 H ASP 64 H ASP 64 -6.513 -6.011 0.623 541 HA ASP 64 HA ASP 64 -7.718 -4.785 -1.620 542 HB2 ASP 64 2HB ASP 64 -8.819 -6.592 -0.371 543 HB3 ASP 64 1HB ASP 64 -8.950 -5.539 1.035 544 H MET 65 H MET 65 -7.348 -3.760 1.764 545 HA MET 65 HA MET 65 -8.658 -1.321 1.370 546 HB2 MET 65 2HB MET 65 -6.761 -2.186 3.537 547 HB3 MET 65 1HB MET 65 -7.523 -0.597 3.525 548 HG2 MET 65 2HG MET 65 -9.729 -1.778 3.429 549 HG3 MET 65 1HG MET 65 -8.846 -3.274 3.660 550 HE1 MET 65 3HE MET 65 -7.678 -4.019 5.920 551 HE2 MET 65 1HE MET 65 -7.412 -2.924 7.278 552 HE3 MET 65 2HE MET 65 -6.619 -2.625 5.727 553 H ILE 66 H ILE 66 -5.169 -2.120 1.209 554 HA ILE 66 HA ILE 66 -4.564 0.591 0.721 555 HB ILE 66 HB ILE 66 -2.365 -0.041 -0.170 556 HG12 ILE 66 2HG1 ILE 66 -3.081 -2.869 0.397 557 HG13 ILE 66 1HG1 ILE 66 -3.157 -2.222 -1.245 558 HG21 ILE 66 1HG2 ILE 66 -2.583 0.211 2.192 559 HG22 ILE 66 2HG2 ILE 66 -1.449 -1.091 1.841 560 HG23 ILE 66 3HG2 ILE 66 -3.094 -1.467 2.363 561 HD11 ILE 66 3HD1 ILE 66 -1.066 -3.405 -0.912 562 HD12 ILE 66 1HD1 ILE 66 -0.721 -2.442 0.528 563 HD13 ILE 66 2HD1 ILE 66 -0.755 -1.677 -1.062 564 H ALA 67 H ALA 67 -5.383 -2.046 -1.490 565 HA ALA 67 HA ALA 67 -4.809 -0.756 -3.886 566 HB1 ALA 67 1HB ALA 67 -7.144 -2.597 -3.349 567 HB2 ALA 67 2HB ALA 67 -5.507 -3.113 -3.748 568 HB3 ALA 67 3HB ALA 67 -6.460 -2.215 -4.931 569 H GLU 68 H GLU 68 -7.632 -0.526 -1.851 570 HA GLU 68 HA GLU 68 -9.189 1.185 -3.465 571 HB2 GLU 68 2HB GLU 68 -10.073 -0.105 -1.606 572 HB3 GLU 68 1HB GLU 68 -9.085 0.796 -0.466 573 HG2 GLU 68 2HG GLU 68 -11.357 1.552 -0.357 574 HG3 GLU 68 1HG GLU 68 -10.354 2.826 -1.046 575 H ILE 69 H ILE 69 -7.097 1.845 -0.672 576 HA ILE 69 HA ILE 69 -7.262 4.628 -0.649 577 HB ILE 69 HB ILE 69 -5.027 2.814 0.295 578 HG12 ILE 69 2HG1 ILE 69 -7.260 4.141 1.836 579 HG13 ILE 69 1HG1 ILE 69 -7.278 2.468 1.291 580 HG21 ILE 69 1HG2 ILE 69 -4.292 4.671 1.725 581 HG22 ILE 69 2HG2 ILE 69 -5.511 5.715 1.000 582 HG23 ILE 69 3HG2 ILE 69 -4.179 5.105 0.016 583 HD11 ILE 69 3HD1 ILE 69 -5.346 1.996 2.651 584 HD12 ILE 69 1HD1 ILE 69 -6.659 2.639 3.628 585 HD13 ILE 69 2HD1 ILE 69 -5.297 3.674 3.195 586 H LEU 70 H LEU 70 -4.985 2.506 -2.302 587 HA LEU 70 HA LEU 70 -3.223 4.386 -3.316 588 HB2 LEU 70 2HB LEU 70 -4.141 1.785 -4.532 589 HB3 LEU 70 1HB LEU 70 -2.803 2.736 -5.140 590 HG LEU 70 HG LEU 70 -2.905 1.508 -2.387 591 HD11 LEU 70 1HD1 LEU 70 -2.803 -0.216 -4.098 592 HD12 LEU 70 2HD1 LEU 70 -1.271 -0.086 -3.240 593 HD13 LEU 70 3HD1 LEU 70 -1.437 0.603 -4.853 594 HD21 LEU 70 3HD2 LEU 70 -0.523 2.042 -2.345 595 HD22 LEU 70 1HD2 LEU 70 -1.514 3.489 -2.495 596 HD23 LEU 70 2HD2 LEU 70 -0.676 2.845 -3.907 597 H GLN 71 H GLN 71 -6.228 3.195 -4.779 598 HA GLN 71 HA GLN 71 -5.935 4.768 -7.144 599 HB2 GLN 71 2HB GLN 71 -8.529 3.708 -6.000 600 HB3 GLN 71 1HB GLN 71 -8.203 4.130 -7.674 601 HG2 GLN 71 2HG GLN 71 -6.547 2.282 -7.760 602 HG3 GLN 71 1HG GLN 71 -7.016 1.843 -6.129 603 HE21 GLN 71 1HE2 GLN 71 -7.770 -0.127 -6.624 604 HE22 GLN 71 2HE2 GLN 71 -9.170 -0.447 -7.566 605 H ARG 72 H ARG 72 -7.771 5.152 -4.144 606 HA ARG 72 HA ARG 72 -9.149 7.435 -4.651 607 HB2 ARG 72 2HB ARG 72 -9.559 5.886 -2.879 608 HB3 ARG 72 1HB ARG 72 -7.984 6.203 -2.191 609 HG2 ARG 72 2HG ARG 72 -8.668 8.411 -1.562 610 HG3 ARG 72 1HG ARG 72 -10.233 8.175 -2.365 611 HD2 ARG 72 2HD ARG 72 -9.178 6.473 -0.116 612 HD3 ARG 72 1HD ARG 72 -10.321 7.807 0.045 613 HE ARG 72 HE ARG 72 -11.437 6.219 -1.827 614 HH11 ARG 72 1HH1 ARG 72 -10.348 5.512 1.519 615 HH12 ARG 72 2HH1 ARG 72 -11.547 4.334 1.739 616 HH21 ARG 72 1HH2 ARG 72 -13.060 4.617 -1.415 617 HH22 ARG 72 2HH2 ARG 72 -13.104 3.840 0.104 618 H TYR 73 H TYR 73 -5.949 7.025 -3.152 619 HA TYR 73 HA TYR 73 -5.724 9.873 -3.021 620 HB2 TYR 73 2HB TYR 73 -4.105 7.700 -1.779 621 HB3 TYR 73 1HB TYR 73 -3.504 9.355 -1.836 622 HD1 TYR 73 2HD TYR 73 -6.166 7.184 -0.506 623 HD2 TYR 73 1HD TYR 73 -4.445 11.064 -0.487 624 HE1 TYR 73 2HE TYR 73 -7.526 7.774 1.447 625 HE2 TYR 73 1HE TYR 73 -5.801 11.667 1.467 626 HH TYR 73 HH TYR 73 -7.373 9.434 3.333 627 H TYR 74 H TYR 74 -4.681 7.518 -5.257 628 HA TYR 74 HA TYR 74 -2.443 8.992 -6.145 629 HB2 TYR 74 2HB TYR 74 -2.186 7.138 -7.417 630 HB3 TYR 74 1HB TYR 74 -3.767 6.579 -6.924 631 HD1 TYR 74 2HD TYR 74 -1.852 8.261 -9.575 632 HD2 TYR 74 1HD TYR 74 -5.649 6.757 -8.419 633 HE1 TYR 74 2HE TYR 74 -2.623 8.419 -11.907 634 HE2 TYR 74 1HE TYR 74 -6.428 6.904 -10.723 635 HH TYR 74 HH TYR 74 -4.304 7.548 -13.366 636 H LYS 75 H LYS 75 -5.848 9.221 -6.690 637 HA LYS 75 HA LYS 75 -5.600 11.283 -8.667 638 HB2 LYS 75 2HB LYS 75 -7.999 10.433 -7.057 639 HB3 LYS 75 1HB LYS 75 -8.035 11.509 -8.439 640 HG2 LYS 75 2HG LYS 75 -7.116 9.613 -9.805 641 HG3 LYS 75 1HG LYS 75 -7.374 8.578 -8.400 642 HD2 LYS 75 2HD LYS 75 -9.321 8.244 -9.621 643 HD3 LYS 75 1HD LYS 75 -9.800 9.501 -8.484 644 HE2 LYS 75 2HE LYS 75 -8.994 9.904 -11.374 645 HE3 LYS 75 1HE LYS 75 -10.625 9.980 -10.732 646 HZ1 LYS 75 3HZ LYS 75 -9.908 11.960 -9.426 647 HZ2 LYS 75 1HZ LYS 75 -9.779 12.172 -11.080 648 HZ3 LYS 75 2HZ LYS 75 -8.407 11.900 -10.192 649 H LYS 76 H LYS 76 -5.439 11.163 -5.293 650 HA LYS 76 HA LYS 76 -6.376 13.911 -4.999 651 HB2 LYS 76 2HB LYS 76 -7.166 12.126 -3.409 652 HB3 LYS 76 1HB LYS 76 -5.523 12.014 -2.805 653 HG2 LYS 76 2HG LYS 76 -5.613 14.275 -1.971 654 HG3 LYS 76 1HG LYS 76 -7.194 14.521 -2.712 655 HD2 LYS 76 2HD LYS 76 -8.087 12.684 -1.276 656 HD3 LYS 76 1HD LYS 76 -6.517 12.606 -0.478 657 HE2 LYS 76 2HE LYS 76 -8.281 15.064 -0.562 658 HE3 LYS 76 1HE LYS 76 -8.208 13.926 0.775 659 HZ1 LYS 76 3HZ LYS 76 -6.102 14.561 1.331 660 HZ2 LYS 76 1HZ LYS 76 -6.838 16.003 0.955 661 HZ3 LYS 76 2HZ LYS 76 -5.744 15.310 -0.140 662 H ILE 77 H ILE 77 -3.462 11.982 -4.323 663 HA ILE 77 HA ILE 77 -1.970 14.511 -4.354 664 HB ILE 77 HB ILE 77 -0.354 13.514 -2.714 665 HG12 ILE 77 2HG1 ILE 77 -2.563 11.482 -2.300 666 HG13 ILE 77 1HG1 ILE 77 -0.995 11.147 -3.013 667 HG21 ILE 77 1HG2 ILE 77 -1.736 13.985 -0.738 668 HG22 ILE 77 2HG2 ILE 77 -3.180 13.936 -1.749 669 HG23 ILE 77 3HG2 ILE 77 -1.964 15.183 -2.013 670 HD11 ILE 77 3HD1 ILE 77 -1.509 12.022 -0.181 671 HD12 ILE 77 1HD1 ILE 77 0.077 11.706 -0.888 672 HD13 ILE 77 2HD1 ILE 77 -1.089 10.395 -0.723 673 H GLY 78 H GLY 78 -1.986 11.105 -5.184 674 HA2 GLY 78 2HA GLY 78 -0.965 10.784 -7.456 675 HA3 GLY 78 1HA GLY 78 0.436 11.619 -6.783 676 H ILE 79 H ILE 79 0.061 8.857 -7.903 677 HA ILE 79 HA ILE 79 0.076 7.031 -5.758 678 HB ILE 79 HB ILE 79 -0.490 6.202 -7.996 679 HG12 ILE 79 2HG1 ILE 79 0.906 4.158 -8.108 680 HG13 ILE 79 1HG1 ILE 79 2.054 4.909 -7.008 681 HG21 ILE 79 1HG2 ILE 79 0.902 7.597 -9.366 682 HG22 ILE 79 2HG2 ILE 79 1.174 5.898 -9.757 683 HG23 ILE 79 3HG2 ILE 79 2.348 6.778 -8.776 684 HD11 ILE 79 3HD1 ILE 79 0.601 3.298 -5.885 685 HD12 ILE 79 1HD1 ILE 79 -0.809 4.247 -6.351 686 HD13 ILE 79 2HD1 ILE 79 0.388 4.925 -5.245 687 H GLU 80 H GLU 80 2.648 8.782 -7.319 688 HA GLU 80 HA GLU 80 4.929 7.541 -6.337 689 HB2 GLU 80 2HB GLU 80 4.568 10.544 -6.276 690 HB3 GLU 80 1HB GLU 80 6.066 9.667 -6.471 691 HG2 GLU 80 2HG GLU 80 5.621 10.560 -8.584 692 HG3 GLU 80 1HG GLU 80 5.064 8.895 -8.721 693 H ASN 81 H ASN 81 2.944 9.988 -4.872 694 HA ASN 81 HA ASN 81 4.326 10.242 -2.413 695 HB2 ASN 81 2HB ASN 81 1.518 11.046 -3.189 696 HB3 ASN 81 1HB ASN 81 2.264 11.494 -1.671 697 HD21 ASN 81 1HD2 ASN 81 2.120 13.705 -2.128 698 HD22 ASN 81 2HD2 ASN 81 3.085 14.452 -3.337 699 H VAL 82 H VAL 82 1.378 8.559 -3.368 700 HA VAL 82 HA VAL 82 0.701 7.666 -0.783 701 HB VAL 82 HB VAL 82 -0.058 6.259 -3.361 702 HG11 VAL 82 1HG1 VAL 82 -0.565 4.986 -1.360 703 HG12 VAL 82 2HG1 VAL 82 -2.060 5.587 -2.092 704 HG13 VAL 82 3HG1 VAL 82 -1.397 6.375 -0.665 705 HG21 VAL 82 3HG2 VAL 82 -1.436 8.538 -1.974 706 HG22 VAL 82 1HG2 VAL 82 -2.068 7.646 -3.355 707 HG23 VAL 82 2HG2 VAL 82 -0.605 8.616 -3.527 708 H ASN 83 H ASN 83 2.650 6.228 -3.325 709 HA ASN 83 HA ASN 83 3.118 3.669 -2.360 710 HB2 ASN 83 2HB ASN 83 3.945 4.516 -4.540 711 HB3 ASN 83 1HB ASN 83 5.065 5.575 -3.711 712 HD21 ASN 83 1HD2 ASN 83 5.554 3.557 -5.731 713 HD22 ASN 83 2HD2 ASN 83 6.664 2.422 -5.052 714 H GLN 84 H GLN 84 4.870 6.619 -1.660 715 HA GLN 84 HA GLN 84 6.633 5.454 0.238 716 HB2 GLN 84 2HB GLN 84 6.796 7.658 -1.171 717 HB3 GLN 84 1HB GLN 84 5.937 8.363 0.182 718 HG2 GLN 84 2HG GLN 84 8.629 6.999 0.358 719 HG3 GLN 84 1HG GLN 84 8.386 8.733 0.255 720 HE21 GLN 84 1HE2 GLN 84 8.365 5.952 2.284 721 HE22 GLN 84 2HE2 GLN 84 8.079 6.753 3.772 722 H LEU 85 H LEU 85 3.564 7.205 0.454 723 HA LEU 85 HA LEU 85 3.613 7.403 3.268 724 HB2 LEU 85 2HB LEU 85 1.305 7.706 1.370 725 HB3 LEU 85 1HB LEU 85 1.197 8.016 3.090 726 HG LEU 85 HG LEU 85 2.942 9.511 1.129 727 HD11 LEU 85 1HD1 LEU 85 0.484 10.350 2.634 728 HD12 LEU 85 2HD1 LEU 85 0.599 10.043 0.903 729 HD13 LEU 85 3HD1 LEU 85 1.483 11.391 1.619 730 HD21 LEU 85 3HD2 LEU 85 4.053 9.407 3.291 731 HD22 LEU 85 1HD2 LEU 85 2.564 9.906 4.101 732 HD23 LEU 85 2HD2 LEU 85 3.401 11.020 3.025 733 H ILE 86 H ILE 86 2.315 4.897 1.176 734 HA ILE 86 HA ILE 86 0.975 3.487 3.247 735 HB ILE 86 HB ILE 86 2.170 2.445 0.648 736 HG12 ILE 86 2HG1 ILE 86 0.366 4.046 0.296 737 HG13 ILE 86 1HG1 ILE 86 -0.146 2.435 -0.183 738 HG21 ILE 86 1HG2 ILE 86 0.779 0.436 0.933 739 HG22 ILE 86 2HG2 ILE 86 0.293 1.009 2.526 740 HG23 ILE 86 3HG2 ILE 86 1.980 0.595 2.217 741 HD11 ILE 86 3HD1 ILE 86 -1.383 2.237 1.942 742 HD12 ILE 86 1HD1 ILE 86 -1.931 3.596 0.959 743 HD13 ILE 86 2HD1 ILE 86 -0.900 3.883 2.357 744 H LEU 87 H LEU 87 4.262 3.467 2.050 745 HA LEU 87 HA LEU 87 5.178 1.393 3.724 746 HB2 LEU 87 2HB LEU 87 6.673 3.736 2.543 747 HB3 LEU 87 1HB LEU 87 7.431 2.323 3.255 748 HG LEU 87 HG LEU 87 5.692 2.317 0.784 749 HD11 LEU 87 1HD1 LEU 87 8.653 1.952 1.087 750 HD12 LEU 87 2HD1 LEU 87 7.846 3.362 0.400 751 HD13 LEU 87 3HD1 LEU 87 7.736 1.799 -0.412 752 HD21 LEU 87 3HD2 LEU 87 6.438 -0.025 0.560 753 HD22 LEU 87 1HD2 LEU 87 5.477 0.234 2.015 754 HD23 LEU 87 2HD2 LEU 87 7.228 0.099 2.131 755 H THR 88 H THR 88 4.913 4.825 4.071 756 HA THR 88 HA THR 88 6.039 5.226 6.608 757 HB THR 88 HB THR 88 3.743 6.648 5.243 758 HG1 THR 88 1HG THR 88 5.675 6.677 4.025 759 HG21 THR 88 3HG2 THR 88 4.316 8.592 6.635 760 HG22 THR 88 1HG2 THR 88 5.557 7.634 7.444 761 HG23 THR 88 2HG2 THR 88 3.854 7.215 7.640 762 H THR 89 H THR 89 2.887 4.071 5.607 763 HA THR 89 HA THR 89 1.342 4.387 7.899 764 HB THR 89 HB THR 89 1.208 2.132 5.877 765 HG1 THR 89 1HG THR 89 1.129 4.597 5.221 766 HG21 THR 89 3HG2 THR 89 -1.183 2.121 6.374 767 HG22 THR 89 1HG2 THR 89 -0.957 3.427 7.537 768 HG23 THR 89 2HG2 THR 89 -0.251 1.833 7.840 769 H ILE 90 H ILE 90 3.285 1.656 6.799 770 HA ILE 90 HA ILE 90 2.776 0.199 9.256 771 HB ILE 90 HB ILE 90 4.060 -1.649 8.166 772 HG12 ILE 90 2HG1 ILE 90 4.049 0.164 5.731 773 HG13 ILE 90 1HG1 ILE 90 5.465 -0.127 6.724 774 HG21 ILE 90 1HG2 ILE 90 2.326 -2.154 6.488 775 HG22 ILE 90 2HG2 ILE 90 1.780 -0.478 6.577 776 HG23 ILE 90 3HG2 ILE 90 1.637 -1.527 7.989 777 HD11 ILE 90 3HD1 ILE 90 5.539 -1.414 4.721 778 HD12 ILE 90 1HD1 ILE 90 3.982 -2.182 5.086 779 HD13 ILE 90 2HD1 ILE 90 5.398 -2.475 6.116 780 H LYS 91 H LYS 91 5.533 1.738 7.650 781 HA LYS 91 HA LYS 91 7.455 0.512 9.365 782 HB2 LYS 91 2HB LYS 91 7.850 1.117 7.016 783 HB3 LYS 91 1HB LYS 91 7.767 2.811 7.462 784 HG2 LYS 91 2HG LYS 91 9.747 2.621 8.780 785 HG3 LYS 91 1HG LYS 91 9.778 0.866 8.557 786 HD2 LYS 91 2HD LYS 91 10.019 1.159 6.179 787 HD3 LYS 91 1HD LYS 91 9.985 2.908 6.364 788 HE2 LYS 91 2HE LYS 91 11.985 2.794 7.793 789 HE3 LYS 91 1HE LYS 91 12.024 1.048 7.557 790 HZ1 LYS 91 3HZ LYS 91 12.294 3.051 5.373 791 HZ2 LYS 91 1HZ LYS 91 12.437 1.385 5.206 792 HZ3 LYS 91 2HZ LYS 91 13.582 2.236 6.086 793 H LEU 92 H LEU 92 5.709 3.548 9.437 794 HA LEU 92 HA LEU 92 7.424 4.451 11.589 795 HB2 LEU 92 2HB LEU 92 5.079 5.811 10.280 796 HB3 LEU 92 1HB LEU 92 5.927 6.471 11.660 797 HG LEU 92 HG LEU 92 6.933 6.131 8.845 798 HD11 LEU 92 1HD1 LEU 92 7.309 8.519 9.003 799 HD12 LEU 92 2HD1 LEU 92 6.786 8.507 10.683 800 HD13 LEU 92 3HD1 LEU 92 5.629 8.150 9.408 801 HD21 LEU 92 3HD2 LEU 92 9.108 6.989 9.677 802 HD22 LEU 92 1HD2 LEU 92 8.734 5.373 10.277 803 HD23 LEU 92 2HD2 LEU 92 8.522 6.773 11.324 804 H GLU 93 H GLU 93 5.908 2.095 12.012 805 HA GLU 93 HA GLU 93 3.841 2.550 13.904 806 HB2 GLU 93 2HB GLU 93 4.608 0.366 12.686 807 HB3 GLU 93 1HB GLU 93 5.872 0.276 13.887 808 HG2 GLU 93 2HG GLU 93 2.912 0.174 14.437 809 HG3 GLU 93 1HG GLU 93 3.995 -1.203 14.338 810 H HIS 94 H HIS 94 7.113 1.356 14.473 811 HA HIS 94 HA HIS 94 8.838 1.823 15.764 812 HB2 HIS 94 2HB HIS 94 8.780 3.896 14.406 813 HB3 HIS 94 1HB HIS 94 7.889 4.684 15.702 814 HD1 HIS 94 1HD HIS 94 11.291 3.336 14.850 815 HD2 HIS 94 2HD HIS 94 9.445 5.516 17.857 816 HE1 HIS 94 1HE HIS 94 13.145 4.225 16.255 817 HE2 HIS 94 2HE HIS 94 12.018 5.776 17.856 818 H HIS 95 H HIS 95 6.303 3.828 17.203 819 HA HIS 95 HA HIS 95 7.309 3.178 19.857 820 HB2 HIS 95 2HB HIS 95 6.489 5.498 19.359 821 HB3 HIS 95 1HB HIS 95 4.889 4.832 19.065 822 HD1 HIS 95 1HD HIS 95 3.415 4.436 21.069 823 HD2 HIS 95 2HD HIS 95 7.291 5.477 22.103 824 HE1 HIS 95 1HE HIS 95 3.362 4.887 23.524 825 HE2 HIS 95 2HE HIS 95 5.655 5.675 24.087 826 H HIS 96 H HIS 96 6.973 1.103 19.981 827 HA HIS 96 HA HIS 96 4.726 -0.213 18.878 828 HB2 HIS 96 2HB HIS 96 7.219 -0.906 19.129 829 HB3 HIS 96 1HB HIS 96 6.705 -1.493 20.702 830 HD1 HIS 96 1HD HIS 96 5.711 -1.835 17.105 831 HD2 HIS 96 2HD HIS 96 5.768 -4.041 20.605 832 HE1 HIS 96 1HE HIS 96 5.166 -4.198 16.415 833 HE2 HIS 96 2HE HIS 96 5.458 -5.536 18.525 834 H HIS 97 H HIS 97 2.898 0.308 19.927 835 HA HIS 97 HA HIS 97 2.672 -0.037 22.809 836 HB2 HIS 97 2HB HIS 97 1.376 1.795 21.764 837 HB3 HIS 97 1HB HIS 97 0.538 0.639 20.742 838 HD1 HIS 97 1HD HIS 97 0.325 2.321 24.006 839 HD2 HIS 97 2HD HIS 97 -1.322 -1.068 22.255 840 HE1 HIS 97 1HE HIS 97 -1.660 1.722 25.414 841 HE2 HIS 97 2HE HIS 97 -2.491 -0.442 24.458 842 H HIS 98 H HIS 98 2.907 -2.099 23.320 843 HA HIS 98 HA HIS 98 2.503 -4.255 23.683 844 HB2 HIS 98 2HB HIS 98 0.126 -3.570 23.979 845 HB3 HIS 98 1HB HIS 98 -0.153 -3.842 22.266 846 HD1 HIS 98 1HD HIS 98 0.284 -5.627 25.507 847 HD2 HIS 98 2HD HIS 98 -0.383 -6.562 21.520 848 HE1 HIS 98 1HE HIS 98 -0.419 -8.034 25.489 849 HE2 HIS 98 2HE HIS 98 -0.571 -8.626 23.044 850 H HIS 99 H HIS 99 1.154 -3.722 20.462 851 HA HIS 99 HA HIS 99 3.214 -5.136 19.172 852 HB2 HIS 99 2HB HIS 99 1.894 -7.101 19.915 853 HB3 HIS 99 1HB HIS 99 0.436 -6.385 19.239 854 HD1 HIS 99 1HD HIS 99 3.735 -7.919 18.121 855 HD2 HIS 99 2HD HIS 99 0.022 -6.888 16.569 856 HE1 HIS 99 1HE HIS 99 3.680 -8.890 15.825 857 HE2 HIS 99 2HE HIS 99 1.551 -7.982 14.825 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -4.302 18.274 9.150 2 H2 MET 1 2HT MET 1 -5.228 18.458 7.730 3 H3 MET 1 3HT MET 1 -3.536 18.414 7.655 4 HA MET 1 HA MET 1 -3.456 16.204 8.329 5 HB2 MET 1 2HB MET 1 -6.470 16.419 8.494 6 HB3 MET 1 1HB MET 1 -5.597 14.898 8.495 7 HG2 MET 1 2HG MET 1 -6.215 15.472 10.744 8 HG3 MET 1 1HG MET 1 -4.467 15.577 10.578 9 HE1 MET 1 2HE MET 1 -6.010 16.779 13.041 10 HE2 MET 1 3HE MET 1 -5.221 18.346 13.214 11 HE3 MET 1 1HE MET 1 -4.266 16.915 12.824 12 H SER 2 H SER 2 -3.195 14.769 6.709 13 HA SER 2 HA SER 2 -4.889 14.956 4.391 14 HB2 SER 2 2HB SER 2 -2.854 16.414 3.979 15 HB3 SER 2 1HB SER 2 -1.849 14.994 4.240 16 HG SER 2 HG SER 2 -2.090 14.972 2.146 17 H ILE 3 H ILE 3 -5.136 12.999 3.503 18 HA ILE 3 HA ILE 3 -5.285 10.856 3.171 19 HB ILE 3 HB ILE 3 -2.767 10.920 2.639 20 HG12 ILE 3 2HG1 ILE 3 -3.739 8.274 3.714 21 HG13 ILE 3 1HG1 ILE 3 -4.343 8.974 2.223 22 HG21 ILE 3 1HG2 ILE 3 -1.271 9.687 4.194 23 HG22 ILE 3 2HG2 ILE 3 -2.572 9.644 5.382 24 HG23 ILE 3 3HG2 ILE 3 -1.869 11.186 4.905 25 HD11 ILE 3 3HD1 ILE 3 -2.643 7.294 1.793 26 HD12 ILE 3 1HD1 ILE 3 -1.495 8.176 2.799 27 HD13 ILE 3 2HD1 ILE 3 -2.070 8.885 1.290 28 H LEU 4 H LEU 4 -4.354 11.662 6.364 29 HA LEU 4 HA LEU 4 -5.369 9.312 7.642 30 HB2 LEU 4 2HB LEU 4 -4.977 12.117 8.707 31 HB3 LEU 4 1HB LEU 4 -5.358 10.729 9.699 32 HG LEU 4 HG LEU 4 -2.808 11.079 8.107 33 HD11 LEU 4 1HD1 LEU 4 -1.756 11.417 10.282 34 HD12 LEU 4 2HD1 LEU 4 -3.327 11.302 11.071 35 HD13 LEU 4 3HD1 LEU 4 -2.986 12.645 9.984 36 HD21 LEU 4 3HD2 LEU 4 -3.600 9.003 10.149 37 HD22 LEU 4 1HD2 LEU 4 -2.032 9.132 9.350 38 HD23 LEU 4 2HD2 LEU 4 -3.474 8.732 8.411 39 H GLU 5 H GLU 5 -6.865 11.374 5.818 40 HA GLU 5 HA GLU 5 -9.329 11.995 7.169 41 HB2 GLU 5 2HB GLU 5 -8.581 12.081 4.247 42 HB3 GLU 5 1HB GLU 5 -9.889 12.958 5.029 43 HG2 GLU 5 2HG GLU 5 -8.408 14.440 6.090 44 HG3 GLU 5 1HG GLU 5 -7.020 13.389 5.805 45 H ASP 6 H ASP 6 -7.916 9.274 5.838 46 HA ASP 6 HA ASP 6 -10.392 8.214 4.736 47 HB2 ASP 6 2HB ASP 6 -8.390 8.132 3.291 48 HB3 ASP 6 1HB ASP 6 -7.590 7.125 4.502 49 HA PRO 7 HA PRO 7 -10.672 5.927 8.563 50 HB2 PRO 7 2HB PRO 7 -12.751 4.310 7.359 51 HB3 PRO 7 1HB PRO 7 -12.884 5.514 8.639 52 HG2 PRO 7 2HG PRO 7 -13.893 5.874 6.133 53 HG3 PRO 7 1HG PRO 7 -13.368 7.204 7.176 54 HD2 PRO 7 2HD PRO 7 -11.949 5.947 4.860 55 HD3 PRO 7 1HD PRO 7 -12.045 7.645 5.387 56 H GLU 8 H GLU 8 -10.258 4.348 5.445 57 HA GLU 8 HA GLU 8 -9.853 1.763 6.619 58 HB2 GLU 8 2HB GLU 8 -9.209 2.754 3.839 59 HB3 GLU 8 1HB GLU 8 -9.287 1.067 4.344 60 HG2 GLU 8 2HG GLU 8 -11.568 3.028 4.244 61 HG3 GLU 8 1HG GLU 8 -11.265 1.712 3.113 62 H PHE 9 H PHE 9 -7.987 4.388 5.343 63 HA PHE 9 HA PHE 9 -5.415 3.335 5.548 64 HB2 PHE 9 2HB PHE 9 -5.971 5.460 4.396 65 HB3 PHE 9 1HB PHE 9 -6.240 6.214 5.960 66 HD1 PHE 9 2HD PHE 9 -3.692 4.725 3.759 67 HD2 PHE 9 1HD PHE 9 -4.435 7.020 7.260 68 HE1 PHE 9 2HE PHE 9 -1.315 5.334 3.862 69 HE2 PHE 9 1HE PHE 9 -2.059 7.627 7.373 70 HZ PHE 9 HZ PHE 9 -0.492 6.783 5.671 71 H VAL 10 H VAL 10 -7.336 5.008 7.963 72 HA VAL 10 HA VAL 10 -5.295 4.976 9.913 73 HB VAL 10 HB VAL 10 -7.308 6.499 10.024 74 HG11 VAL 10 1HG1 VAL 10 -9.345 5.759 11.104 75 HG12 VAL 10 2HG1 VAL 10 -8.742 4.102 11.093 76 HG13 VAL 10 3HG1 VAL 10 -9.067 4.926 9.571 77 HG21 VAL 10 3HG2 VAL 10 -6.686 4.918 12.498 78 HG22 VAL 10 1HG2 VAL 10 -7.504 6.484 12.474 79 HG23 VAL 10 2HG2 VAL 10 -5.845 6.349 11.895 80 H LYS 11 H LYS 11 -7.764 2.642 9.042 81 HA LYS 11 HA LYS 11 -7.357 0.848 11.193 82 HB2 LYS 11 2HB LYS 11 -8.205 0.250 8.359 83 HB3 LYS 11 1HB LYS 11 -8.269 -0.894 9.685 84 HG2 LYS 11 2HG LYS 11 -9.890 0.557 10.822 85 HG3 LYS 11 1HG LYS 11 -9.846 1.651 9.432 86 HD2 LYS 11 2HD LYS 11 -10.581 -0.183 7.977 87 HD3 LYS 11 1HD LYS 11 -10.650 -1.251 9.381 88 HE2 LYS 11 2HE LYS 11 -12.867 -0.461 8.866 89 HE3 LYS 11 1HE LYS 11 -12.327 0.243 10.387 90 HZ1 LYS 11 3HZ LYS 11 -13.407 1.866 9.023 91 HZ2 LYS 11 1HZ LYS 11 -12.344 1.585 7.741 92 HZ3 LYS 11 2HZ LYS 11 -11.784 2.287 9.194 93 H LEU 12 H LEU 12 -5.745 1.356 8.144 94 HA LEU 12 HA LEU 12 -4.192 -0.970 8.063 95 HB2 LEU 12 2HB LEU 12 -3.626 1.747 6.927 96 HB3 LEU 12 1HB LEU 12 -2.659 0.329 6.604 97 HG LEU 12 HG LEU 12 -5.558 0.658 5.852 98 HD11 LEU 12 1HD1 LEU 12 -4.092 2.115 4.566 99 HD12 LEU 12 2HD1 LEU 12 -4.652 0.751 3.586 100 HD13 LEU 12 3HD1 LEU 12 -3.021 0.750 4.245 101 HD21 LEU 12 3HD2 LEU 12 -4.957 -1.675 6.271 102 HD22 LEU 12 1HD2 LEU 12 -3.551 -1.494 5.217 103 HD23 LEU 12 2HD2 LEU 12 -5.176 -1.373 4.546 104 H ARG 13 H ARG 13 -3.471 2.179 9.544 105 HA ARG 13 HA ARG 13 -0.801 1.455 10.228 106 HB2 ARG 13 2HB ARG 13 -2.508 3.502 11.680 107 HB3 ARG 13 1HB ARG 13 -0.758 3.382 11.740 108 HG2 ARG 13 2HG ARG 13 -0.814 3.809 9.227 109 HG3 ARG 13 1HG ARG 13 -2.490 4.322 9.469 110 HD2 ARG 13 2HD ARG 13 0.046 5.477 10.608 111 HD3 ARG 13 1HD ARG 13 -1.088 6.242 9.506 112 HE ARG 13 HE ARG 13 -2.554 5.729 11.751 113 HH11 ARG 13 1HH1 ARG 13 0.355 7.615 10.994 114 HH12 ARG 13 2HH1 ARG 13 0.274 8.554 12.400 115 HH21 ARG 13 1HH2 ARG 13 -2.690 7.066 13.640 116 HH22 ARG 13 2HH2 ARG 13 -1.522 8.267 13.942 117 H GLN 14 H GLN 14 -3.843 0.986 11.726 118 HA GLN 14 HA GLN 14 -2.802 0.010 14.218 119 HB2 GLN 14 2HB GLN 14 -5.531 -0.270 12.966 120 HB3 GLN 14 1HB GLN 14 -5.133 -0.688 14.625 121 HG2 GLN 14 2HG GLN 14 -4.642 1.621 15.132 122 HG3 GLN 14 1HG GLN 14 -4.899 2.069 13.446 123 HE21 GLN 14 1HE2 GLN 14 -6.944 2.184 12.668 124 HE22 GLN 14 2HE2 GLN 14 -8.365 2.161 13.651 125 H PHE 15 H PHE 15 -3.707 -1.336 11.149 126 HA PHE 15 HA PHE 15 -3.847 -4.087 11.954 127 HB2 PHE 15 2HB PHE 15 -5.105 -3.008 10.031 128 HB3 PHE 15 1HB PHE 15 -3.582 -2.945 9.168 129 HD1 PHE 15 1HD PHE 15 -6.023 -5.254 10.708 130 HD2 PHE 15 2HD PHE 15 -2.854 -4.800 7.908 131 HE1 PHE 15 1HE PHE 15 -6.505 -7.489 9.811 132 HE2 PHE 15 2HE PHE 15 -3.325 -7.047 7.013 133 HZ PHE 15 HZ PHE 15 -5.155 -8.389 7.962 134 H LYS 16 H LYS 16 -1.554 -2.127 10.084 135 HA LYS 16 HA LYS 16 0.582 -2.220 9.694 136 HB2 LYS 16 2HB LYS 16 0.604 -4.048 12.062 137 HB3 LYS 16 1HB LYS 16 2.079 -3.723 11.165 138 HG2 LYS 16 2HG LYS 16 1.810 -1.341 11.560 139 HG3 LYS 16 1HG LYS 16 0.319 -1.654 12.447 140 HD2 LYS 16 2HD LYS 16 1.530 -2.869 14.134 141 HD3 LYS 16 1HD LYS 16 3.025 -2.740 13.207 142 HE2 LYS 16 2HE LYS 16 2.934 -1.104 15.039 143 HE3 LYS 16 1HE LYS 16 3.020 -0.336 13.462 144 HZ1 LYS 16 3HZ LYS 16 0.635 0.086 13.569 145 HZ2 LYS 16 1HZ LYS 16 1.397 0.739 14.913 146 HZ3 LYS 16 2HZ LYS 16 0.542 -0.689 15.065 147 H GLY 17 H GLY 17 2.539 -3.922 9.320 148 HA2 GLY 17 2HA GLY 17 1.362 -5.406 7.107 149 HA3 GLY 17 1HA GLY 17 2.963 -4.690 7.113 150 H LYS 18 H LYS 18 1.101 -7.410 7.737 151 HA LYS 18 HA LYS 18 3.300 -8.891 8.956 152 HB2 LYS 18 2HB LYS 18 0.460 -9.740 8.249 153 HB3 LYS 18 1HB LYS 18 1.643 -10.774 9.020 154 HG2 LYS 18 2HG LYS 18 0.304 -10.042 10.815 155 HG3 LYS 18 1HG LYS 18 1.746 -9.022 10.839 156 HD2 LYS 18 2HD LYS 18 -0.220 -7.668 11.273 157 HD3 LYS 18 1HD LYS 18 0.497 -7.234 9.724 158 HE2 LYS 18 2HE LYS 18 -1.944 -7.349 9.605 159 HE3 LYS 18 1HE LYS 18 -1.188 -8.539 8.552 160 HZ1 LYS 18 3HZ LYS 18 -3.062 -9.431 9.801 161 HZ2 LYS 18 1HZ LYS 18 -2.293 -9.086 11.245 162 HZ3 LYS 18 2HZ LYS 18 -1.653 -10.252 10.210 163 H VAL 19 H VAL 19 3.697 -7.805 6.623 164 HA VAL 19 HA VAL 19 3.905 -9.943 4.624 165 HB VAL 19 HB VAL 19 3.680 -8.034 2.913 166 HG11 VAL 19 1HG1 VAL 19 1.279 -8.648 4.626 167 HG12 VAL 19 2HG1 VAL 19 1.854 -9.618 3.268 168 HG13 VAL 19 3HG1 VAL 19 1.231 -7.986 2.995 169 HG21 VAL 19 3HG2 VAL 19 2.559 -6.612 5.322 170 HG22 VAL 19 1HG2 VAL 19 2.459 -6.041 3.656 171 HG23 VAL 19 2HG2 VAL 19 4.028 -6.182 4.449 172 H ASN 20 H ASN 20 5.696 -9.342 3.062 173 HA ASN 20 HA ASN 20 8.026 -8.495 4.549 174 HB2 ASN 20 2HB ASN 20 8.036 -10.247 2.614 175 HB3 ASN 20 1HB ASN 20 7.868 -8.836 1.568 176 HD21 ASN 20 1HD2 ASN 20 9.968 -10.775 1.701 177 HD22 ASN 20 2HD2 ASN 20 11.435 -9.914 1.963 178 H PHE 21 H PHE 21 8.687 -6.496 4.732 179 HA PHE 21 HA PHE 21 7.392 -4.239 3.768 180 HB2 PHE 21 2HB PHE 21 8.851 -4.131 5.697 181 HB3 PHE 21 1HB PHE 21 10.240 -4.581 4.718 182 HD1 PHE 21 1HD PHE 21 7.735 -1.918 5.257 183 HD2 PHE 21 2HD PHE 21 11.514 -2.961 3.616 184 HE1 PHE 21 1HE PHE 21 8.199 0.460 4.823 185 HE2 PHE 21 2HE PHE 21 11.989 -0.593 3.175 186 HZ PHE 21 HZ PHE 21 10.339 1.115 3.766 187 H ASN 22 H ASN 22 9.996 -6.102 2.393 188 HA ASN 22 HA ASN 22 10.748 -4.149 0.412 189 HB2 ASN 22 2HB ASN 22 11.341 -7.104 0.576 190 HB3 ASN 22 1HB ASN 22 12.015 -6.012 -0.627 191 HD21 ASN 22 1HD2 ASN 22 13.271 -7.651 1.384 192 HD22 ASN 22 2HD2 ASN 22 14.250 -6.582 2.326 193 H LEU 23 H LEU 23 8.545 -6.771 0.671 194 HA LEU 23 HA LEU 23 8.156 -6.945 -2.135 195 HB2 LEU 23 2HB LEU 23 7.929 -8.928 -0.685 196 HB3 LEU 23 1HB LEU 23 6.545 -8.178 0.084 197 HG LEU 23 HG LEU 23 5.226 -8.383 -1.929 198 HD11 LEU 23 1HD1 LEU 23 7.725 -9.508 -3.200 199 HD12 LEU 23 2HD1 LEU 23 6.991 -7.944 -3.574 200 HD13 LEU 23 3HD1 LEU 23 6.129 -9.431 -3.946 201 HD21 LEU 23 3HD2 LEU 23 6.766 -10.914 -1.415 202 HD22 LEU 23 1HD2 LEU 23 5.167 -10.788 -2.144 203 HD23 LEU 23 2HD2 LEU 23 5.406 -10.332 -0.456 204 H VAL 24 H VAL 24 6.403 -5.497 0.606 205 HA VAL 24 HA VAL 24 4.253 -4.553 -0.963 206 HB VAL 24 HB VAL 24 5.420 -3.242 1.512 207 HG11 VAL 24 1HG1 VAL 24 3.189 -2.234 1.782 208 HG12 VAL 24 2HG1 VAL 24 2.684 -2.958 0.255 209 HG13 VAL 24 3HG1 VAL 24 3.949 -1.728 0.272 210 HG21 VAL 24 3HG2 VAL 24 3.199 -5.239 1.215 211 HG22 VAL 24 1HG2 VAL 24 3.677 -4.442 2.711 212 HG23 VAL 24 2HG2 VAL 24 4.794 -5.542 1.906 213 H MET 25 H MET 25 7.345 -3.091 -0.084 214 HA MET 25 HA MET 25 6.999 -0.715 -1.504 215 HB2 MET 25 2HB MET 25 8.761 -0.788 0.073 216 HB3 MET 25 1HB MET 25 9.522 -2.185 -0.626 217 HG2 MET 25 2HG MET 25 9.332 0.424 -2.108 218 HG3 MET 25 1HG MET 25 10.607 0.137 -0.925 219 HE1 MET 25 3HE MET 25 12.664 -2.736 -2.555 220 HE2 MET 25 1HE MET 25 11.380 -2.896 -1.355 221 HE3 MET 25 2HE MET 25 12.542 -1.580 -1.231 222 H GLN 26 H GLN 26 7.913 -3.879 -2.581 223 HA GLN 26 HA GLN 26 8.563 -3.062 -5.220 224 HB2 GLN 26 2HB GLN 26 9.394 -5.186 -4.250 225 HB3 GLN 26 1HB GLN 26 7.755 -5.802 -4.239 226 HG2 GLN 26 2HG GLN 26 7.654 -5.681 -6.658 227 HG3 GLN 26 1HG GLN 26 9.269 -4.984 -6.705 228 HE21 GLN 26 1HE2 GLN 26 10.057 -6.608 -7.942 229 HE22 GLN 26 2HE2 GLN 26 10.357 -8.202 -7.370 230 H ILE 27 H ILE 27 5.632 -4.356 -3.664 231 HA ILE 27 HA ILE 27 3.973 -4.667 -5.907 232 HB ILE 27 HB ILE 27 3.203 -3.712 -3.124 233 HG12 ILE 27 2HG1 ILE 27 4.272 -5.906 -3.039 234 HG13 ILE 27 1HG1 ILE 27 2.566 -6.048 -2.654 235 HG21 ILE 27 1HG2 ILE 27 1.390 -4.829 -5.252 236 HG22 ILE 27 2HG2 ILE 27 1.420 -3.172 -4.655 237 HG23 ILE 27 3HG2 ILE 27 0.926 -4.486 -3.586 238 HD11 ILE 27 3HD1 ILE 27 3.860 -6.751 -5.282 239 HD12 ILE 27 1HD1 ILE 27 2.145 -6.890 -4.903 240 HD13 ILE 27 2HD1 ILE 27 3.317 -7.881 -4.041 241 H LEU 28 H LEU 28 4.579 -1.894 -3.886 242 HA LEU 28 HA LEU 28 2.889 -0.034 -5.169 243 HB2 LEU 28 2HB LEU 28 5.396 0.416 -3.573 244 HB3 LEU 28 1HB LEU 28 4.159 1.610 -3.914 245 HG LEU 28 HG LEU 28 3.736 -0.885 -2.273 246 HD11 LEU 28 1HD1 LEU 28 4.116 1.959 -1.409 247 HD12 LEU 28 2HD1 LEU 28 5.255 0.636 -1.200 248 HD13 LEU 28 3HD1 LEU 28 3.701 0.603 -0.355 249 HD21 LEU 28 3HD2 LEU 28 1.681 -0.109 -3.332 250 HD22 LEU 28 1HD2 LEU 28 1.968 1.520 -2.718 251 HD23 LEU 28 2HD2 LEU 28 1.640 0.199 -1.596 252 H ASP 29 H ASP 29 6.142 -1.090 -5.727 253 HA ASP 29 HA ASP 29 7.017 0.970 -7.554 254 HB2 ASP 29 2HB ASP 29 8.468 -0.534 -6.178 255 HB3 ASP 29 1HB ASP 29 7.933 -1.861 -7.159 256 H GLU 30 H GLU 30 5.913 -2.325 -7.879 257 HA GLU 30 HA GLU 30 5.982 -2.743 -10.617 258 HB2 GLU 30 2HB GLU 30 3.766 -3.627 -8.767 259 HB3 GLU 30 1HB GLU 30 4.218 -4.324 -10.304 260 HG2 GLU 30 2HG GLU 30 6.001 -4.366 -7.889 261 HG3 GLU 30 1HG GLU 30 4.784 -5.585 -8.260 262 H ILE 31 H ILE 31 3.279 -1.587 -8.626 263 HA ILE 31 HA ILE 31 1.565 -1.098 -10.841 264 HB ILE 31 HB ILE 31 0.048 0.097 -9.318 265 HG12 ILE 31 2HG1 ILE 31 2.180 -0.294 -7.203 266 HG13 ILE 31 1HG1 ILE 31 1.759 1.241 -7.949 267 HG21 ILE 31 1HG2 ILE 31 -0.099 -2.305 -9.390 268 HG22 ILE 31 2HG2 ILE 31 -0.396 -1.732 -7.740 269 HG23 ILE 31 3HG2 ILE 31 1.157 -2.437 -8.157 270 HD11 ILE 31 3HD1 ILE 31 -0.470 1.098 -6.990 271 HD12 ILE 31 1HD1 ILE 31 0.774 1.014 -5.742 272 HD13 ILE 31 2HD1 ILE 31 -0.058 -0.454 -6.260 273 H GLU 32 H GLU 32 3.749 0.959 -9.032 274 HA GLU 32 HA GLU 32 2.922 3.451 -9.944 275 HB2 GLU 32 2HB GLU 32 4.437 3.125 -8.074 276 HB3 GLU 32 1HB GLU 32 5.659 2.478 -9.155 277 HG2 GLU 32 2HG GLU 32 5.932 4.546 -10.193 278 HG3 GLU 32 1HG GLU 32 4.609 5.296 -9.273 279 H LEU 33 H LEU 33 5.404 1.301 -11.253 280 HA LEU 33 HA LEU 33 5.960 3.075 -13.391 281 HB2 LEU 33 2HB LEU 33 7.415 1.281 -14.299 282 HB3 LEU 33 1HB LEU 33 7.761 1.722 -12.647 283 HG LEU 33 HG LEU 33 6.366 -0.375 -12.037 284 HD11 LEU 33 1HD1 LEU 33 7.066 -1.072 -14.880 285 HD12 LEU 33 2HD1 LEU 33 5.444 -0.840 -14.228 286 HD13 LEU 33 3HD1 LEU 33 6.438 -2.181 -13.661 287 HD21 LEU 33 3HD2 LEU 33 8.730 -0.165 -11.626 288 HD22 LEU 33 1HD2 LEU 33 9.086 -0.594 -13.299 289 HD23 LEU 33 2HD2 LEU 33 8.353 -1.781 -12.220 290 H ASP 34 H ASP 34 3.797 0.369 -13.082 291 HA ASP 34 HA ASP 34 3.229 0.211 -15.897 292 HB2 ASP 34 2HB ASP 34 2.832 -1.709 -14.354 293 HB3 ASP 34 1HB ASP 34 1.553 -0.784 -13.574 294 H LEU 35 H LEU 35 1.827 1.785 -13.129 295 HA LEU 35 HA LEU 35 -0.425 2.898 -14.374 296 HB2 LEU 35 2HB LEU 35 -0.207 2.732 -11.973 297 HB3 LEU 35 1HB LEU 35 1.179 3.791 -11.993 298 HG LEU 35 HG LEU 35 -0.221 5.674 -12.588 299 HD11 LEU 35 1HD1 LEU 35 -1.881 4.565 -13.961 300 HD12 LEU 35 2HD1 LEU 35 -2.686 5.407 -12.634 301 HD13 LEU 35 3HD1 LEU 35 -2.467 3.656 -12.575 302 HD21 LEU 35 3HD2 LEU 35 -1.289 4.044 -10.297 303 HD22 LEU 35 1HD2 LEU 35 -1.524 5.778 -10.523 304 HD23 LEU 35 2HD2 LEU 35 0.095 5.134 -10.255 305 H ARG 36 H ARG 36 2.889 4.076 -13.971 306 HA ARG 36 HA ARG 36 2.337 6.452 -15.383 307 HB2 ARG 36 2HB ARG 36 4.944 5.161 -14.618 308 HB3 ARG 36 1HB ARG 36 4.890 6.613 -15.606 309 HG2 ARG 36 2HG ARG 36 3.601 7.730 -13.798 310 HG3 ARG 36 1HG ARG 36 3.836 6.292 -12.804 311 HD2 ARG 36 2HD ARG 36 6.204 6.591 -12.811 312 HD3 ARG 36 1HD ARG 36 6.082 7.866 -14.024 313 HE ARG 36 HE ARG 36 4.597 8.559 -11.746 314 HH11 ARG 36 1HH1 ARG 36 7.957 8.320 -12.860 315 HH12 ARG 36 2HH1 ARG 36 8.517 9.591 -11.869 316 HH21 ARG 36 1HH2 ARG 36 5.395 10.314 -10.384 317 HH22 ARG 36 2HH2 ARG 36 7.050 10.714 -10.427 318 H GLY 37 H GLY 37 2.837 3.267 -16.356 319 HA2 GLY 37 2HA GLY 37 3.604 3.726 -19.065 320 HA3 GLY 37 1HA GLY 37 2.780 2.289 -18.447 321 H SER 38 H SER 38 0.781 4.027 -17.216 322 HA SER 38 HA SER 38 -1.036 5.197 -17.450 323 HB2 SER 38 2HB SER 38 -0.096 5.897 -20.221 324 HB3 SER 38 1HB SER 38 -1.418 6.685 -19.347 325 HG SER 38 HG SER 38 1.338 6.646 -18.760 326 H ASP 39 H ASP 39 -2.305 3.493 -17.122 327 HA ASP 39 HA ASP 39 -4.145 3.176 -19.330 328 HB2 ASP 39 2HB ASP 39 -2.916 1.002 -19.301 329 HB3 ASP 39 1HB ASP 39 -3.330 0.786 -17.604 330 H ASN 40 H ASN 40 -4.116 1.607 -16.188 331 HA ASN 40 HA ASN 40 -5.730 3.595 -14.928 332 HB2 ASN 40 2HB ASN 40 -6.803 0.784 -15.422 333 HB3 ASN 40 1HB ASN 40 -7.463 1.935 -14.278 334 HD21 ASN 40 1HD2 ASN 40 -7.143 1.091 -17.643 335 HD22 ASN 40 2HD2 ASN 40 -8.414 2.119 -18.198 336 H ILE 41 H ILE 41 -5.287 3.407 -12.720 337 HA ILE 41 HA ILE 41 -3.181 1.700 -11.969 338 HB ILE 41 HB ILE 41 -3.451 3.800 -10.787 339 HG12 ILE 41 2HG1 ILE 41 -3.960 1.487 -8.890 340 HG13 ILE 41 1HG1 ILE 41 -2.397 1.928 -9.554 341 HG21 ILE 41 1HG2 ILE 41 -6.092 2.745 -9.846 342 HG22 ILE 41 2HG2 ILE 41 -5.799 4.125 -10.905 343 HG23 ILE 41 3HG2 ILE 41 -5.304 4.192 -9.214 344 HD11 ILE 41 3HD1 ILE 41 -2.524 4.072 -8.372 345 HD12 ILE 41 1HD1 ILE 41 -2.611 2.682 -7.288 346 HD13 ILE 41 2HD1 ILE 41 -4.075 3.579 -7.688 347 H LYS 42 H LYS 42 -6.634 1.366 -11.734 348 HA LYS 42 HA LYS 42 -6.711 -0.857 -10.029 349 HB2 LYS 42 2HB LYS 42 -8.921 -1.324 -10.972 350 HB3 LYS 42 1HB LYS 42 -8.734 0.387 -10.615 351 HG2 LYS 42 2HG LYS 42 -8.232 0.771 -12.981 352 HG3 LYS 42 1HG LYS 42 -8.557 -0.926 -13.309 353 HD2 LYS 42 2HD LYS 42 -10.848 -0.615 -12.458 354 HD3 LYS 42 1HD LYS 42 -10.502 1.100 -12.207 355 HE2 LYS 42 2HE LYS 42 -11.603 0.931 -14.319 356 HE3 LYS 42 1HE LYS 42 -9.873 1.215 -14.591 357 HZ1 LYS 42 3HZ LYS 42 -9.587 -1.163 -15.040 358 HZ2 LYS 42 1HZ LYS 42 -10.724 -0.492 -16.092 359 HZ3 LYS 42 2HZ LYS 42 -11.202 -1.416 -14.770 360 H THR 43 H THR 43 -6.040 -0.581 -13.471 361 HA THR 43 HA THR 43 -6.199 -3.322 -14.072 362 HB THR 43 HB THR 43 -4.525 -1.252 -15.517 363 HG1 THR 43 1HG THR 43 -6.359 -0.771 -16.667 364 HG21 THR 43 3HG2 THR 43 -6.020 -3.697 -16.489 365 HG22 THR 43 1HG2 THR 43 -4.272 -3.580 -16.273 366 HG23 THR 43 2HG2 THR 43 -5.078 -2.597 -17.494 367 H SER 44 H SER 44 -3.593 -1.018 -13.267 368 HA SER 44 HA SER 44 -1.398 -2.639 -13.483 369 HB2 SER 44 2HB SER 44 -1.848 -0.388 -11.515 370 HB3 SER 44 1HB SER 44 -0.293 -0.982 -12.113 371 HG SER 44 HG SER 44 -0.986 -0.382 -14.224 372 H ILE 45 H ILE 45 -3.580 -2.053 -10.766 373 HA ILE 45 HA ILE 45 -2.403 -3.507 -8.725 374 HB ILE 45 HB ILE 45 -5.346 -3.187 -9.384 375 HG12 ILE 45 2HG1 ILE 45 -4.237 -1.070 -8.892 376 HG13 ILE 45 1HG1 ILE 45 -5.371 -1.483 -7.613 377 HG21 ILE 45 1HG2 ILE 45 -5.156 -5.132 -7.980 378 HG22 ILE 45 2HG2 ILE 45 -5.877 -3.801 -7.077 379 HG23 ILE 45 3HG2 ILE 45 -4.184 -4.229 -6.816 380 HD11 ILE 45 3HD1 ILE 45 -2.380 -1.785 -7.510 381 HD12 ILE 45 1HD1 ILE 45 -3.498 -2.241 -6.223 382 HD13 ILE 45 2HD1 ILE 45 -3.340 -0.549 -6.698 383 H ILE 46 H ILE 46 -4.537 -4.648 -11.284 384 HA ILE 46 HA ILE 46 -4.922 -7.260 -10.428 385 HB ILE 46 HB ILE 46 -4.828 -6.287 -13.293 386 HG12 ILE 46 2HG1 ILE 46 -7.160 -6.554 -11.386 387 HG13 ILE 46 1HG1 ILE 46 -6.406 -5.038 -11.864 388 HG21 ILE 46 1HG2 ILE 46 -6.279 -8.224 -13.769 389 HG22 ILE 46 2HG2 ILE 46 -6.129 -8.738 -12.088 390 HG23 ILE 46 3HG2 ILE 46 -4.710 -8.730 -13.135 391 HD11 ILE 46 3HD1 ILE 46 -7.082 -5.449 -14.181 392 HD12 ILE 46 1HD1 ILE 46 -8.454 -5.396 -13.075 393 HD13 ILE 46 2HD1 ILE 46 -7.867 -6.946 -13.672 394 H TYR 47 H TYR 47 -2.394 -6.052 -12.665 395 HA TYR 47 HA TYR 47 -1.286 -8.556 -13.344 396 HB2 TYR 47 2HB TYR 47 0.344 -6.040 -12.988 397 HB3 TYR 47 1HB TYR 47 0.747 -7.428 -13.974 398 HD1 TYR 47 1HD TYR 47 -1.029 -7.898 -15.927 399 HD2 TYR 47 2HD TYR 47 -0.436 -4.218 -13.937 400 HE1 TYR 47 1HE TYR 47 -1.950 -6.706 -17.872 401 HE2 TYR 47 2HE TYR 47 -1.357 -3.001 -15.843 402 HH TYR 47 HH TYR 47 -1.680 -3.296 -18.172 403 H VAL 48 H VAL 48 -0.316 -6.213 -10.937 404 HA VAL 48 HA VAL 48 1.837 -7.565 -9.862 405 HB VAL 48 HB VAL 48 0.052 -5.522 -8.569 406 HG11 VAL 48 1HG1 VAL 48 2.909 -6.298 -8.059 407 HG12 VAL 48 2HG1 VAL 48 1.539 -6.531 -6.973 408 HG13 VAL 48 3HG1 VAL 48 2.102 -4.900 -7.350 409 HG21 VAL 48 3HG2 VAL 48 2.394 -5.213 -10.426 410 HG22 VAL 48 1HG2 VAL 48 1.686 -3.894 -9.488 411 HG23 VAL 48 2HG2 VAL 48 0.724 -4.720 -10.705 412 H TYR 49 H TYR 49 -1.538 -7.374 -8.785 413 HA TYR 49 HA TYR 49 -1.024 -8.894 -6.479 414 HB2 TYR 49 2HB TYR 49 -3.588 -8.064 -7.817 415 HB3 TYR 49 1HB TYR 49 -3.590 -9.112 -6.406 416 HD1 TYR 49 2HD TYR 49 -1.197 -6.322 -6.892 417 HD2 TYR 49 1HD TYR 49 -4.729 -7.614 -4.934 418 HE1 TYR 49 2HE TYR 49 -1.087 -4.349 -5.436 419 HE2 TYR 49 1HE TYR 49 -4.635 -5.637 -3.461 420 HH TYR 49 HH TYR 49 -2.581 -2.997 -4.075 421 H SER 50 H SER 50 -2.086 -9.771 -9.708 422 HA SER 50 HA SER 50 -2.601 -12.464 -8.932 423 HB2 SER 50 2HB SER 50 -3.746 -11.408 -10.860 424 HB3 SER 50 1HB SER 50 -2.207 -11.337 -11.715 425 HG SER 50 HG SER 50 -2.495 -13.813 -10.874 426 H SER 51 H SER 51 0.235 -10.730 -9.942 427 HA SER 51 HA SER 51 1.678 -13.150 -10.562 428 HB2 SER 51 2HB SER 51 2.127 -11.087 -11.835 429 HB3 SER 51 1HB SER 51 2.628 -10.278 -10.354 430 HG SER 51 HG SER 51 3.856 -12.522 -11.572 431 H HIS 52 H HIS 52 1.019 -11.293 -7.781 432 HA HIS 52 HA HIS 52 3.187 -12.646 -6.314 433 HB2 HIS 52 2HB HIS 52 2.089 -9.844 -5.833 434 HB3 HIS 52 1HB HIS 52 3.263 -10.642 -4.808 435 HD1 HIS 52 1HD HIS 52 5.737 -10.575 -5.600 436 HD2 HIS 52 2HD HIS 52 3.113 -8.817 -8.309 437 HE1 HIS 52 1HE HIS 52 7.175 -9.233 -7.176 438 HE2 HIS 52 2HE HIS 52 5.586 -8.115 -8.760 439 H LEU 53 H LEU 53 0.611 -13.700 -6.743 440 HA LEU 53 HA LEU 53 -1.510 -13.086 -5.119 441 HB2 LEU 53 2HB LEU 53 -0.635 -15.771 -6.119 442 HB3 LEU 53 1HB LEU 53 -2.115 -15.546 -5.226 443 HG LEU 53 HG LEU 53 -1.474 -14.159 -7.804 444 HD11 LEU 53 1HD1 LEU 53 -1.654 -16.570 -8.177 445 HD12 LEU 53 2HD1 LEU 53 -3.087 -15.762 -8.812 446 HD13 LEU 53 3HD1 LEU 53 -3.167 -16.617 -7.273 447 HD21 LEU 53 3HD2 LEU 53 -3.926 -13.745 -7.827 448 HD22 LEU 53 1HD2 LEU 53 -3.100 -12.954 -6.482 449 HD23 LEU 53 2HD2 LEU 53 -4.012 -14.436 -6.211 450 H ASP 54 H ASP 54 1.178 -15.118 -4.229 451 HA ASP 54 HA ASP 54 0.164 -16.281 -1.913 452 HB2 ASP 54 2HB ASP 54 2.288 -17.035 -2.781 453 HB3 ASP 54 1HB ASP 54 3.030 -15.478 -2.419 454 H GLU 55 H GLU 55 1.942 -13.238 -2.078 455 HA GLU 55 HA GLU 55 1.738 -12.770 0.736 456 HB2 GLU 55 2HB GLU 55 3.498 -11.828 -0.816 457 HB3 GLU 55 1HB GLU 55 2.263 -10.742 -1.435 458 HG2 GLU 55 2HG GLU 55 3.462 -9.479 0.124 459 HG3 GLU 55 1HG GLU 55 1.981 -9.941 0.956 460 H ILE 56 H ILE 56 -0.054 -11.888 -2.126 461 HA ILE 56 HA ILE 56 -1.667 -9.852 -1.033 462 HB ILE 56 HB ILE 56 -2.419 -11.694 -3.323 463 HG12 ILE 56 2HG1 ILE 56 -0.299 -10.659 -3.917 464 HG13 ILE 56 1HG1 ILE 56 -1.603 -9.876 -4.801 465 HG21 ILE 56 1HG2 ILE 56 -4.311 -10.448 -2.471 466 HG22 ILE 56 2HG2 ILE 56 -3.855 -9.850 -4.067 467 HG23 ILE 56 3HG2 ILE 56 -3.413 -8.937 -2.623 468 HD11 ILE 56 3HD1 ILE 56 -1.529 -7.986 -3.298 469 HD12 ILE 56 1HD1 ILE 56 0.048 -8.281 -4.031 470 HD13 ILE 56 2HD1 ILE 56 -0.251 -8.762 -2.362 471 H ARG 57 H ARG 57 -2.321 -13.319 -1.521 472 HA ARG 57 HA ARG 57 -4.901 -13.176 -0.302 473 HB2 ARG 57 2HB ARG 57 -4.862 -15.649 -0.303 474 HB3 ARG 57 1HB ARG 57 -4.472 -14.963 -1.870 475 HG2 ARG 57 2HG ARG 57 -2.169 -15.501 -1.628 476 HG3 ARG 57 1HG ARG 57 -2.381 -15.890 0.082 477 HD2 ARG 57 2HD ARG 57 -3.631 -17.398 -2.214 478 HD3 ARG 57 1HD ARG 57 -2.187 -17.904 -1.334 479 HE ARG 57 HE ARG 57 -4.927 -17.891 -0.389 480 HH11 ARG 57 1HH1 ARG 57 -1.511 -18.625 0.283 481 HH12 ARG 57 2HH1 ARG 57 -1.810 -19.379 1.765 482 HH21 ARG 57 1HH2 ARG 57 -5.315 -18.974 1.665 483 HH22 ARG 57 2HH2 ARG 57 -4.013 -19.624 2.563 484 H LYS 58 H LYS 58 -1.738 -13.578 0.922 485 HA LYS 58 HA LYS 58 -2.257 -14.835 3.390 486 HB2 LYS 58 2HB LYS 58 -0.072 -14.727 2.384 487 HB3 LYS 58 1HB LYS 58 -0.107 -12.984 2.418 488 HG2 LYS 58 2HG LYS 58 0.040 -13.042 4.863 489 HG3 LYS 58 1HG LYS 58 0.118 -14.815 4.802 490 HD2 LYS 58 2HD LYS 58 2.099 -14.775 3.519 491 HD3 LYS 58 1HD LYS 58 1.962 -13.051 3.230 492 HE2 LYS 58 2HE LYS 58 2.305 -12.721 5.689 493 HE3 LYS 58 1HE LYS 58 2.680 -14.447 5.789 494 HZ1 LYS 58 3HZ LYS 58 4.041 -12.543 3.989 495 HZ2 LYS 58 1HZ LYS 58 4.484 -14.136 4.235 496 HZ3 LYS 58 2HZ LYS 58 4.685 -13.007 5.481 497 H ASN 59 H ASN 59 -2.057 -11.461 2.388 498 HA ASN 59 HA ASN 59 -3.521 -10.753 4.818 499 HB2 ASN 59 2HB ASN 59 -1.209 -9.212 3.599 500 HB3 ASN 59 1HB ASN 59 -2.335 -8.502 4.747 501 HD21 ASN 59 1HD2 ASN 59 0.214 -10.823 4.315 502 HD22 ASN 59 2HD2 ASN 59 0.577 -11.024 5.983 503 H LYS 60 H LYS 60 -5.017 -11.373 3.013 504 HA LYS 60 HA LYS 60 -5.374 -9.713 0.811 505 HB2 LYS 60 2HB LYS 60 -7.649 -10.707 0.596 506 HB3 LYS 60 1HB LYS 60 -6.343 -11.873 0.704 507 HG2 LYS 60 2HG LYS 60 -6.883 -12.336 3.003 508 HG3 LYS 60 1HG LYS 60 -8.130 -11.088 2.999 509 HD2 LYS 60 2HD LYS 60 -8.145 -13.564 1.258 510 HD3 LYS 60 1HD LYS 60 -9.039 -13.391 2.767 511 HE2 LYS 60 2HE LYS 60 -9.415 -11.654 0.308 512 HE3 LYS 60 1HE LYS 60 -10.437 -13.006 0.768 513 HZ1 LYS 60 3HZ LYS 60 -10.031 -10.685 2.579 514 HZ2 LYS 60 1HZ LYS 60 -11.251 -11.825 2.640 515 HZ3 LYS 60 2HZ LYS 60 -11.208 -10.684 1.398 516 H GLU 61 H GLU 61 -6.619 -9.353 4.056 517 HA GLU 61 HA GLU 61 -8.485 -7.352 3.448 518 HB2 GLU 61 2HB GLU 61 -6.974 -8.069 5.941 519 HB3 GLU 61 1HB GLU 61 -8.042 -6.682 5.873 520 HG2 GLU 61 2HG GLU 61 -9.126 -8.650 6.867 521 HG3 GLU 61 1HG GLU 61 -9.940 -8.116 5.401 522 H PHE 62 H PHE 62 -5.071 -7.285 4.226 523 HA PHE 62 HA PHE 62 -4.773 -4.487 4.416 524 HB2 PHE 62 2HB PHE 62 -3.073 -5.877 5.362 525 HB3 PHE 62 1HB PHE 62 -2.826 -6.714 3.832 526 HD1 PHE 62 2HD PHE 62 -2.556 -3.343 5.367 527 HD2 PHE 62 1HD PHE 62 -1.083 -6.075 2.467 528 HE1 PHE 62 2HE PHE 62 -0.753 -1.771 4.797 529 HE2 PHE 62 1HE PHE 62 0.720 -4.517 1.894 530 HZ PHE 62 HZ PHE 62 0.886 -2.362 3.055 531 H TYR 63 H TYR 63 -4.143 -6.747 1.762 532 HA TYR 63 HA TYR 63 -3.381 -4.691 0.010 533 HB2 TYR 63 2HB TYR 63 -4.006 -7.580 -0.472 534 HB3 TYR 63 1HB TYR 63 -3.608 -6.485 -1.798 535 HD1 TYR 63 1HD TYR 63 -1.442 -5.223 -1.709 536 HD2 TYR 63 2HD TYR 63 -2.281 -8.483 0.879 537 HE1 TYR 63 1HE TYR 63 0.965 -5.435 -1.213 538 HE2 TYR 63 2HE TYR 63 0.116 -8.712 1.369 539 HH TYR 63 HH TYR 63 2.272 -8.120 0.357 540 H ASP 64 H ASP 64 -6.460 -6.162 0.613 541 HA ASP 64 HA ASP 64 -7.792 -5.048 -1.617 542 HB2 ASP 64 2HB ASP 64 -8.788 -6.849 -0.380 543 HB3 ASP 64 1HB ASP 64 -8.817 -5.886 1.092 544 H MET 65 H MET 65 -7.372 -3.924 1.718 545 HA MET 65 HA MET 65 -8.792 -1.536 1.330 546 HB2 MET 65 2HB MET 65 -6.774 -2.296 3.439 547 HB3 MET 65 1HB MET 65 -7.642 -0.766 3.456 548 HG2 MET 65 2HG MET 65 -9.768 -2.051 3.489 549 HG3 MET 65 1HG MET 65 -8.817 -3.518 3.610 550 HE1 MET 65 3HE MET 65 -6.504 -2.903 5.590 551 HE2 MET 65 1HE MET 65 -7.537 -4.316 5.784 552 HE3 MET 65 2HE MET 65 -7.209 -3.268 7.165 553 H ILE 66 H ILE 66 -5.281 -2.220 1.081 554 HA ILE 66 HA ILE 66 -4.779 0.515 0.593 555 HB ILE 66 HB ILE 66 -2.536 -0.031 -0.249 556 HG12 ILE 66 2HG1 ILE 66 -3.169 -2.877 0.375 557 HG13 ILE 66 1HG1 ILE 66 -3.195 -2.259 -1.281 558 HG21 ILE 66 1HG2 ILE 66 -2.838 0.289 2.099 559 HG22 ILE 66 2HG2 ILE 66 -1.634 -0.967 1.822 560 HG23 ILE 66 3HG2 ILE 66 -3.273 -1.405 2.311 561 HD11 ILE 66 3HD1 ILE 66 -0.828 -1.658 -1.046 562 HD12 ILE 66 1HD1 ILE 66 -1.090 -3.387 -0.812 563 HD13 ILE 66 2HD1 ILE 66 -0.825 -2.335 0.585 564 H ALA 67 H ALA 67 -5.394 -2.147 -1.667 565 HA ALA 67 HA ALA 67 -4.803 -0.782 -4.034 566 HB1 ALA 67 1HB ALA 67 -6.335 -2.329 -5.147 567 HB2 ALA 67 2HB ALA 67 -7.026 -2.777 -3.588 568 HB3 ALA 67 3HB ALA 67 -5.351 -3.179 -3.956 569 H GLU 68 H GLU 68 -7.586 -0.664 -2.010 570 HA GLU 68 HA GLU 68 -9.311 0.874 -3.640 571 HB2 GLU 68 2HB GLU 68 -9.946 -0.488 -1.683 572 HB3 GLU 68 1HB GLU 68 -9.104 0.635 -0.632 573 HG2 GLU 68 2HG GLU 68 -11.426 1.086 -0.487 574 HG3 GLU 68 1HG GLU 68 -10.670 2.396 -1.398 575 H ILE 69 H ILE 69 -7.251 1.702 -0.892 576 HA ILE 69 HA ILE 69 -7.562 4.485 -0.936 577 HB ILE 69 HB ILE 69 -5.350 2.780 0.222 578 HG12 ILE 69 2HG1 ILE 69 -7.761 4.035 1.531 579 HG13 ILE 69 1HG1 ILE 69 -7.658 2.355 1.017 580 HG21 ILE 69 1HG2 ILE 69 -4.794 4.679 1.661 581 HG22 ILE 69 2HG2 ILE 69 -6.009 5.664 0.853 582 HG23 ILE 69 3HG2 ILE 69 -4.587 5.114 -0.039 583 HD11 ILE 69 3HD1 ILE 69 -5.828 1.998 2.544 584 HD12 ILE 69 1HD1 ILE 69 -7.255 2.576 3.398 585 HD13 ILE 69 2HD1 ILE 69 -5.917 3.680 3.065 586 H LEU 70 H LEU 70 -5.094 2.426 -2.428 587 HA LEU 70 HA LEU 70 -3.308 4.340 -3.304 588 HB2 LEU 70 2HB LEU 70 -4.115 1.744 -4.615 589 HB3 LEU 70 1HB LEU 70 -2.765 2.721 -5.154 590 HG LEU 70 HG LEU 70 -2.968 1.488 -2.401 591 HD11 LEU 70 1HD1 LEU 70 -1.316 -0.119 -3.187 592 HD12 LEU 70 2HD1 LEU 70 -1.429 0.559 -4.810 593 HD13 LEU 70 3HD1 LEU 70 -2.820 -0.253 -4.096 594 HD21 LEU 70 3HD2 LEU 70 -0.573 1.999 -2.291 595 HD22 LEU 70 1HD2 LEU 70 -1.547 3.458 -2.475 596 HD23 LEU 70 2HD2 LEU 70 -0.676 2.799 -3.858 597 H GLN 71 H GLN 71 -6.173 3.135 -5.027 598 HA GLN 71 HA GLN 71 -5.833 4.799 -7.323 599 HB2 GLN 71 2HB GLN 71 -8.478 3.850 -6.222 600 HB3 GLN 71 1HB GLN 71 -8.097 4.253 -7.886 601 HG2 GLN 71 2HG GLN 71 -6.560 2.308 -7.944 602 HG3 GLN 71 1HG GLN 71 -7.096 1.900 -6.322 603 HE21 GLN 71 1HE2 GLN 71 -8.013 0.003 -6.830 604 HE22 GLN 71 2HE2 GLN 71 -9.429 -0.170 -7.808 605 H ARG 72 H ARG 72 -7.648 5.125 -4.343 606 HA ARG 72 HA ARG 72 -9.119 7.390 -4.775 607 HB2 ARG 72 2HB ARG 72 -9.478 5.724 -3.089 608 HB3 ARG 72 1HB ARG 72 -7.930 6.079 -2.366 609 HG2 ARG 72 2HG ARG 72 -8.741 8.215 -1.629 610 HG3 ARG 72 1HG ARG 72 -10.278 7.928 -2.459 611 HD2 ARG 72 2HD ARG 72 -9.149 6.145 -0.314 612 HD3 ARG 72 1HD ARG 72 -10.340 7.420 -0.054 613 HE ARG 72 HE ARG 72 -11.351 5.855 -2.061 614 HH11 ARG 72 1HH1 ARG 72 -10.533 5.276 1.391 615 HH12 ARG 72 2HH1 ARG 72 -11.699 4.051 1.553 616 HH21 ARG 72 1HH2 ARG 72 -12.948 4.197 -1.755 617 HH22 ARG 72 2HH2 ARG 72 -13.084 3.433 -0.244 618 H TYR 73 H TYR 73 -5.854 7.007 -3.433 619 HA TYR 73 HA TYR 73 -5.737 9.887 -3.217 620 HB2 TYR 73 2HB TYR 73 -4.116 7.763 -1.904 621 HB3 TYR 73 1HB TYR 73 -3.544 9.426 -1.976 622 HD1 TYR 73 1HD TYR 73 -6.121 7.210 -0.606 623 HD2 TYR 73 2HD TYR 73 -4.610 11.171 -0.765 624 HE1 TYR 73 1HE TYR 73 -7.529 7.818 1.316 625 HE2 TYR 73 2HE TYR 73 -5.992 11.796 1.144 626 HH TYR 73 HH TYR 73 -7.484 9.574 3.124 627 H TYR 74 H TYR 74 -4.538 7.529 -5.448 628 HA TYR 74 HA TYR 74 -2.240 8.971 -6.126 629 HB2 TYR 74 2HB TYR 74 -1.983 6.980 -7.163 630 HB3 TYR 74 1HB TYR 74 -3.697 6.637 -7.063 631 HD1 TYR 74 2HD TYR 74 -1.116 8.340 -9.131 632 HD2 TYR 74 1HD TYR 74 -5.056 6.790 -8.903 633 HE1 TYR 74 2HE TYR 74 -1.356 8.631 -11.550 634 HE2 TYR 74 1HE TYR 74 -5.347 7.058 -11.247 635 HH TYR 74 HH TYR 74 -2.711 7.643 -13.377 636 H LYS 75 H LYS 75 -5.586 9.196 -6.971 637 HA LYS 75 HA LYS 75 -5.209 11.097 -9.095 638 HB2 LYS 75 2HB LYS 75 -7.654 10.389 -7.499 639 HB3 LYS 75 1HB LYS 75 -7.653 11.326 -8.979 640 HG2 LYS 75 2HG LYS 75 -6.861 9.389 -10.234 641 HG3 LYS 75 1HG LYS 75 -6.791 8.444 -8.746 642 HD2 LYS 75 2HD LYS 75 -9.289 9.671 -9.919 643 HD3 LYS 75 1HD LYS 75 -8.824 7.978 -10.070 644 HE2 LYS 75 2HE LYS 75 -8.955 7.708 -7.647 645 HE3 LYS 75 1HE LYS 75 -9.358 9.412 -7.457 646 HZ1 LYS 75 3HZ LYS 75 -11.310 8.058 -7.344 647 HZ2 LYS 75 1HZ LYS 75 -11.017 7.391 -8.860 648 HZ3 LYS 75 2HZ LYS 75 -11.377 9.032 -8.719 649 H LYS 76 H LYS 76 -5.217 11.228 -5.714 650 HA LYS 76 HA LYS 76 -6.269 13.958 -5.619 651 HB2 LYS 76 2HB LYS 76 -7.066 11.942 -4.157 652 HB3 LYS 76 1HB LYS 76 -5.629 12.275 -3.217 653 HG2 LYS 76 2HG LYS 76 -7.800 14.305 -3.737 654 HG3 LYS 76 1HG LYS 76 -7.775 13.240 -2.342 655 HD2 LYS 76 2HD LYS 76 -5.642 14.250 -1.649 656 HD3 LYS 76 1HD LYS 76 -5.709 15.334 -3.044 657 HE2 LYS 76 2HE LYS 76 -7.794 16.282 -2.221 658 HE3 LYS 76 1HE LYS 76 -7.782 15.163 -0.857 659 HZ1 LYS 76 3HZ LYS 76 -5.722 16.233 -0.104 660 HZ2 LYS 76 1HZ LYS 76 -7.017 17.305 -0.193 661 HZ3 LYS 76 2HZ LYS 76 -5.839 17.347 -1.378 662 H ILE 77 H ILE 77 -3.463 12.067 -4.362 663 HA ILE 77 HA ILE 77 -2.027 14.634 -4.140 664 HB ILE 77 HB ILE 77 -0.667 13.693 -2.300 665 HG12 ILE 77 2HG1 ILE 77 -2.657 11.408 -2.327 666 HG13 ILE 77 1HG1 ILE 77 -0.991 11.289 -2.869 667 HG21 ILE 77 1HG2 ILE 77 -2.567 15.103 -1.779 668 HG22 ILE 77 2HG2 ILE 77 -2.390 13.846 -0.552 669 HG23 ILE 77 3HG2 ILE 77 -3.634 13.699 -1.791 670 HD11 ILE 77 3HD1 ILE 77 -1.256 10.365 -0.642 671 HD12 ILE 77 1HD1 ILE 77 -1.903 11.903 -0.061 672 HD13 ILE 77 2HD1 ILE 77 -0.225 11.790 -0.604 673 H GLY 78 H GLY 78 -1.906 11.440 -5.374 674 HA2 GLY 78 2HA GLY 78 -0.426 11.237 -7.361 675 HA3 GLY 78 1HA GLY 78 0.824 11.990 -6.371 676 H ILE 79 H ILE 79 0.612 9.292 -7.708 677 HA ILE 79 HA ILE 79 0.107 7.389 -5.693 678 HB ILE 79 HB ILE 79 -0.143 6.784 -8.069 679 HG12 ILE 79 2HG1 ILE 79 1.017 4.581 -8.056 680 HG13 ILE 79 1HG1 ILE 79 1.947 5.119 -6.663 681 HG21 ILE 79 1HG2 ILE 79 2.844 6.993 -8.272 682 HG22 ILE 79 2HG2 ILE 79 1.655 8.031 -9.055 683 HG23 ILE 79 3HG2 ILE 79 1.774 6.332 -9.512 684 HD11 ILE 79 3HD1 ILE 79 -0.080 5.279 -5.342 685 HD12 ILE 79 1HD1 ILE 79 0.092 3.667 -6.027 686 HD13 ILE 79 2HD1 ILE 79 -1.048 4.809 -6.740 687 H GLU 80 H GLU 80 3.073 8.914 -6.806 688 HA GLU 80 HA GLU 80 4.996 7.336 -5.547 689 HB2 GLU 80 2HB GLU 80 5.116 10.343 -5.647 690 HB3 GLU 80 1HB GLU 80 6.461 9.231 -5.611 691 HG2 GLU 80 2HG GLU 80 6.474 9.860 -7.820 692 HG3 GLU 80 1HG GLU 80 5.424 8.447 -7.910 693 H ASN 81 H ASN 81 3.224 10.052 -4.409 694 HA ASN 81 HA ASN 81 4.247 10.285 -1.807 695 HB2 ASN 81 2HB ASN 81 1.696 11.175 -3.098 696 HB3 ASN 81 1HB ASN 81 1.939 11.441 -1.384 697 HD21 ASN 81 1HD2 ASN 81 1.704 13.354 -3.621 698 HD22 ASN 81 2HD2 ASN 81 3.155 14.278 -3.550 699 H VAL 82 H VAL 82 1.395 8.606 -3.021 700 HA VAL 82 HA VAL 82 0.476 7.715 -0.513 701 HB VAL 82 HB VAL 82 0.035 6.275 -3.141 702 HG11 VAL 82 1HG1 VAL 82 -0.684 5.015 -1.200 703 HG12 VAL 82 2HG1 VAL 82 -2.090 5.584 -2.108 704 HG13 VAL 82 3HG1 VAL 82 -1.613 6.397 -0.621 705 HG21 VAL 82 3HG2 VAL 82 -1.990 7.627 -3.392 706 HG22 VAL 82 1HG2 VAL 82 -0.528 8.614 -3.428 707 HG23 VAL 82 2HG2 VAL 82 -1.522 8.566 -1.972 708 H ASN 83 H ASN 83 2.533 6.190 -2.933 709 HA ASN 83 HA ASN 83 2.819 3.692 -1.782 710 HB2 ASN 83 2HB ASN 83 4.779 5.248 -3.480 711 HB3 ASN 83 1HB ASN 83 5.054 3.579 -3.007 712 HD21 ASN 83 1HD2 ASN 83 4.743 4.627 -5.756 713 HD22 ASN 83 2HD2 ASN 83 3.354 3.815 -6.344 714 H GLN 84 H GLN 84 4.786 6.543 -1.222 715 HA GLN 84 HA GLN 84 6.581 5.313 0.613 716 HB2 GLN 84 2HB GLN 84 6.746 7.588 -0.694 717 HB3 GLN 84 1HB GLN 84 5.870 8.243 0.671 718 HG2 GLN 84 2HG GLN 84 8.598 6.928 0.788 719 HG3 GLN 84 1HG GLN 84 8.286 8.655 0.825 720 HE21 GLN 84 1HE2 GLN 84 8.391 5.718 2.636 721 HE22 GLN 84 2HE2 GLN 84 8.044 6.424 4.169 722 H LEU 85 H LEU 85 3.541 7.089 0.952 723 HA LEU 85 HA LEU 85 3.535 7.146 3.768 724 HB2 LEU 85 2HB LEU 85 1.229 7.363 1.833 725 HB3 LEU 85 1HB LEU 85 1.106 7.677 3.555 726 HG LEU 85 HG LEU 85 2.813 9.240 1.606 727 HD11 LEU 85 1HD1 LEU 85 0.260 10.012 2.990 728 HD12 LEU 85 2HD1 LEU 85 0.439 9.653 1.274 729 HD13 LEU 85 3HD1 LEU 85 1.244 11.058 1.969 730 HD21 LEU 85 3HD2 LEU 85 2.289 9.674 4.550 731 HD22 LEU 85 1HD2 LEU 85 3.139 10.798 3.486 732 HD23 LEU 85 2HD2 LEU 85 3.826 9.215 3.813 733 H ILE 86 H ILE 86 2.273 4.764 1.485 734 HA ILE 86 HA ILE 86 0.998 3.105 3.386 735 HB ILE 86 HB ILE 86 2.303 2.337 0.750 736 HG12 ILE 86 2HG1 ILE 86 0.480 3.921 0.435 737 HG13 ILE 86 1HG1 ILE 86 0.008 2.337 -0.160 738 HG21 ILE 86 1HG2 ILE 86 0.955 0.283 0.808 739 HG22 ILE 86 2HG2 ILE 86 0.397 0.705 2.427 740 HG23 ILE 86 3HG2 ILE 86 2.104 0.364 2.147 741 HD11 ILE 86 3HD1 ILE 86 -1.295 1.980 1.901 742 HD12 ILE 86 1HD1 ILE 86 -1.828 3.397 0.996 743 HD13 ILE 86 2HD1 ILE 86 -0.847 3.598 2.445 744 H LEU 87 H LEU 87 4.311 3.221 2.222 745 HA LEU 87 HA LEU 87 5.248 1.011 3.689 746 HB2 LEU 87 2HB LEU 87 6.723 3.438 2.692 747 HB3 LEU 87 1HB LEU 87 7.508 2.019 3.353 748 HG LEU 87 HG LEU 87 5.816 2.088 0.856 749 HD11 LEU 87 1HD1 LEU 87 8.781 1.756 1.231 750 HD12 LEU 87 2HD1 LEU 87 7.964 3.172 0.568 751 HD13 LEU 87 3HD1 LEU 87 7.908 1.634 -0.297 752 HD21 LEU 87 3HD2 LEU 87 5.588 -0.042 1.984 753 HD22 LEU 87 1HD2 LEU 87 7.344 -0.155 2.161 754 HD23 LEU 87 2HD2 LEU 87 6.610 -0.225 0.559 755 H THR 88 H THR 88 4.949 4.375 4.464 756 HA THR 88 HA THR 88 6.199 4.325 6.998 757 HB THR 88 HB THR 88 4.015 6.157 5.953 758 HG1 THR 88 1HG THR 88 5.786 6.272 4.575 759 HG21 THR 88 3HG2 THR 88 4.338 6.339 8.394 760 HG22 THR 88 1HG2 THR 88 4.907 7.790 7.571 761 HG23 THR 88 2HG2 THR 88 6.063 6.590 8.148 762 H THR 89 H THR 89 3.000 3.612 5.871 763 HA THR 89 HA THR 89 1.596 3.518 8.302 764 HB THR 89 HB THR 89 1.144 2.240 5.613 765 HG1 THR 89 1HG THR 89 1.115 4.484 5.573 766 HG21 THR 89 3HG2 THR 89 -0.175 1.036 7.325 767 HG22 THR 89 1HG2 THR 89 -1.201 1.969 6.245 768 HG23 THR 89 2HG2 THR 89 -0.877 2.563 7.858 769 H ILE 90 H ILE 90 3.261 0.997 6.412 770 HA ILE 90 HA ILE 90 2.413 -1.036 8.270 771 HB ILE 90 HB ILE 90 3.691 -2.630 6.901 772 HG12 ILE 90 2HG1 ILE 90 4.277 -0.251 5.117 773 HG13 ILE 90 1HG1 ILE 90 5.465 -1.045 6.141 774 HG21 ILE 90 1HG2 ILE 90 1.375 -2.180 6.423 775 HG22 ILE 90 2HG2 ILE 90 2.259 -2.461 4.923 776 HG23 ILE 90 3HG2 ILE 90 1.823 -0.820 5.396 777 HD11 ILE 90 3HD1 ILE 90 5.190 -3.098 4.855 778 HD12 ILE 90 1HD1 ILE 90 5.674 -1.748 3.829 779 HD13 ILE 90 2HD1 ILE 90 3.997 -2.300 3.831 780 H LYS 91 H LYS 91 5.338 0.774 7.705 781 HA LYS 91 HA LYS 91 6.813 -1.029 9.438 782 HB2 LYS 91 2HB LYS 91 7.772 -0.103 7.287 783 HB3 LYS 91 1HB LYS 91 7.761 1.479 8.048 784 HG2 LYS 91 2HG LYS 91 9.967 0.616 8.218 785 HG3 LYS 91 1HG LYS 91 9.247 0.533 9.827 786 HD2 LYS 91 2HD LYS 91 8.731 -1.847 9.462 787 HD3 LYS 91 1HD LYS 91 9.469 -1.747 7.863 788 HE2 LYS 91 2HE LYS 91 11.583 -1.085 8.931 789 HE3 LYS 91 1HE LYS 91 10.843 -1.321 10.511 790 HZ1 LYS 91 3HZ LYS 91 12.089 -3.275 9.912 791 HZ2 LYS 91 1HZ LYS 91 11.298 -3.374 8.429 792 HZ3 LYS 91 2HZ LYS 91 10.437 -3.684 9.828 793 H LEU 92 H LEU 92 6.791 -0.622 11.572 794 HA LEU 92 HA LEU 92 5.931 1.950 12.511 795 HB2 LEU 92 2HB LEU 92 5.238 -0.117 13.686 796 HB3 LEU 92 1HB LEU 92 6.901 -0.422 14.126 797 HG LEU 92 HG LEU 92 6.898 1.661 15.480 798 HD11 LEU 92 1HD1 LEU 92 5.175 2.902 14.308 799 HD12 LEU 92 2HD1 LEU 92 4.766 2.738 16.014 800 HD13 LEU 92 3HD1 LEU 92 3.962 1.728 14.814 801 HD21 LEU 92 3HD2 LEU 92 4.747 -0.340 16.168 802 HD22 LEU 92 1HD2 LEU 92 5.497 0.789 17.298 803 HD23 LEU 92 2HD2 LEU 92 6.463 -0.475 16.547 804 H GLU 93 H GLU 93 7.671 2.885 11.316 805 HA GLU 93 HA GLU 93 9.716 3.890 13.042 806 HB2 GLU 93 2HB GLU 93 10.462 1.696 11.553 807 HB3 GLU 93 1HB GLU 93 10.680 2.954 10.353 808 HG2 GLU 93 2HG GLU 93 12.039 2.856 13.052 809 HG3 GLU 93 1HG GLU 93 12.758 2.351 11.534 810 H HIS 94 H HIS 94 10.403 5.943 11.950 811 HA HIS 94 HA HIS 94 9.046 6.709 9.539 812 HB2 HIS 94 2HB HIS 94 7.149 6.765 11.162 813 HB3 HIS 94 1HB HIS 94 8.038 7.929 12.121 814 HD1 HIS 94 1HD HIS 94 5.213 8.504 10.981 815 HD2 HIS 94 2HD HIS 94 8.757 9.723 9.192 816 HE1 HIS 94 1HE HIS 94 4.628 10.527 9.594 817 HE2 HIS 94 2HE HIS 94 6.828 11.299 8.629 818 H HIS 95 H HIS 95 9.978 8.400 12.550 819 HA HIS 95 HA HIS 95 11.441 10.234 10.906 820 HB2 HIS 95 2HB HIS 95 10.170 10.979 12.993 821 HB3 HIS 95 1HB HIS 95 11.431 10.182 13.933 822 HD1 HIS 95 1HD HIS 95 10.942 13.030 11.526 823 HD2 HIS 95 2HD HIS 95 13.816 11.582 14.139 824 HE1 HIS 95 1HE HIS 95 12.716 14.783 11.591 825 HE2 HIS 95 2HE HIS 95 14.567 13.734 12.908 826 H HIS 96 H HIS 96 13.083 9.440 10.065 827 HA HIS 96 HA HIS 96 14.545 7.298 11.221 828 HB2 HIS 96 2HB HIS 96 15.306 8.906 8.772 829 HB3 HIS 96 1HB HIS 96 15.872 7.298 9.199 830 HD1 HIS 96 1HD HIS 96 13.353 5.682 9.591 831 HD2 HIS 96 2HD HIS 96 13.624 8.657 6.687 832 HE1 HIS 96 1HE HIS 96 11.618 5.139 7.892 833 HE2 HIS 96 2HE HIS 96 11.704 7.007 6.227 834 H HIS 97 H HIS 97 15.813 7.753 12.912 835 HA HIS 97 HA HIS 97 17.886 9.692 12.483 836 HB2 HIS 97 2HB HIS 97 16.160 11.091 13.501 837 HB3 HIS 97 1HB HIS 97 16.021 9.975 14.851 838 HD1 HIS 97 1HD HIS 97 18.454 12.498 13.378 839 HD2 HIS 97 2HD HIS 97 17.771 10.452 16.927 840 HE1 HIS 97 1HE HIS 97 20.033 13.486 15.038 841 HE2 HIS 97 2HE HIS 97 19.333 12.455 17.222 842 H HIS 98 H HIS 98 18.902 7.582 12.352 843 HA HIS 98 HA HIS 98 19.891 6.778 15.006 844 HB2 HIS 98 2HB HIS 98 19.498 5.006 13.183 845 HB3 HIS 98 1HB HIS 98 20.784 5.781 12.268 846 HD1 HIS 98 1HD HIS 98 23.031 4.746 12.595 847 HD2 HIS 98 2HD HIS 98 20.550 4.117 15.867 848 HE1 HIS 98 1HE HIS 98 24.328 3.290 14.159 849 HE2 HIS 98 2HE HIS 98 22.740 2.788 16.039 850 H HIS 99 H HIS 99 20.411 8.566 12.199 851 HA HIS 99 HA HIS 99 22.599 10.045 13.242 852 HB2 HIS 99 2HB HIS 99 23.697 8.416 11.735 853 HB3 HIS 99 1HB HIS 99 22.470 8.704 10.510 854 HD1 HIS 99 1HD HIS 99 22.651 10.888 9.145 855 HD2 HIS 99 2HD HIS 99 25.745 10.333 11.859 856 HE1 HIS 99 1HE HIS 99 24.394 12.551 8.509 857 HE2 HIS 99 2HE HIS 99 26.344 12.021 9.970 Start of MODEL 7 1 H1 MET 1 1HT MET 1 0.519 16.908 2.728 2 H2 MET 1 2HT MET 1 -0.380 16.351 1.380 3 H3 MET 1 3HT MET 1 0.011 15.309 2.631 4 HA MET 1 HA MET 1 -1.367 16.328 4.162 5 HB2 MET 1 2HB MET 1 -2.798 18.231 3.556 6 HB3 MET 1 1HB MET 1 -1.107 18.665 3.390 7 HG2 MET 1 2HG MET 1 -1.240 18.453 0.983 8 HG3 MET 1 1HG MET 1 -2.891 17.858 1.098 9 HE1 MET 1 2HE MET 1 -1.735 22.188 2.269 10 HE2 MET 1 3HE MET 1 -0.550 21.015 1.703 11 HE3 MET 1 1HE MET 1 -1.348 20.785 3.261 12 H SER 2 H SER 2 -3.722 15.969 4.169 13 HA SER 2 HA SER 2 -5.551 14.850 3.661 14 HB2 SER 2 2HB SER 2 -4.719 15.316 0.792 15 HB3 SER 2 1HB SER 2 -6.318 14.796 1.323 16 HG SER 2 HG SER 2 -6.750 16.793 1.578 17 H ILE 3 H ILE 3 -4.953 13.006 4.600 18 HA ILE 3 HA ILE 3 -4.780 10.736 2.848 19 HB ILE 3 HB ILE 3 -2.384 11.304 3.147 20 HG12 ILE 3 2HG1 ILE 3 -1.589 9.083 3.974 21 HG13 ILE 3 1HG1 ILE 3 -3.223 8.747 4.524 22 HG21 ILE 3 1HG2 ILE 3 -2.436 12.372 5.304 23 HG22 ILE 3 2HG2 ILE 3 -1.277 11.040 5.320 24 HG23 ILE 3 3HG2 ILE 3 -2.857 10.847 6.083 25 HD11 ILE 3 3HD1 ILE 3 -2.734 7.665 2.401 26 HD12 ILE 3 1HD1 ILE 3 -2.401 9.233 1.670 27 HD13 ILE 3 2HD1 ILE 3 -4.029 8.847 2.228 28 H LEU 4 H LEU 4 -5.140 12.118 6.024 29 HA LEU 4 HA LEU 4 -6.065 9.695 7.265 30 HB2 LEU 4 2HB LEU 4 -6.126 12.561 8.217 31 HB3 LEU 4 1HB LEU 4 -6.573 11.174 9.183 32 HG LEU 4 HG LEU 4 -3.808 11.717 8.094 33 HD11 LEU 4 1HD1 LEU 4 -3.233 12.166 10.429 34 HD12 LEU 4 2HD1 LEU 4 -4.926 11.970 10.880 35 HD13 LEU 4 3HD1 LEU 4 -4.441 13.299 9.827 36 HD21 LEU 4 3HD2 LEU 4 -3.128 9.874 9.574 37 HD22 LEU 4 1HD2 LEU 4 -4.253 9.325 8.331 38 HD23 LEU 4 2HD2 LEU 4 -4.819 9.584 9.980 39 H GLU 5 H GLU 5 -7.425 11.162 4.918 40 HA GLU 5 HA GLU 5 -10.103 11.686 5.904 41 HB2 GLU 5 2HB GLU 5 -9.059 11.470 3.079 42 HB3 GLU 5 1HB GLU 5 -10.611 12.117 3.565 43 HG2 GLU 5 2HG GLU 5 -9.482 13.989 4.659 44 HG3 GLU 5 1HG GLU 5 -7.921 13.321 4.177 45 H ASP 6 H ASP 6 -8.502 8.917 5.682 46 HA ASP 6 HA ASP 6 -10.707 7.518 4.366 47 HB2 ASP 6 2HB ASP 6 -8.608 7.623 3.007 48 HB3 ASP 6 1HB ASP 6 -7.846 6.618 4.244 49 HA PRO 7 HA PRO 7 -10.809 5.409 8.302 50 HB2 PRO 7 2HB PRO 7 -12.617 3.460 7.146 51 HB3 PRO 7 1HB PRO 7 -12.957 4.720 8.335 52 HG2 PRO 7 2HG PRO 7 -13.904 4.765 5.780 53 HG3 PRO 7 1HG PRO 7 -13.617 6.216 6.755 54 HD2 PRO 7 2HD PRO 7 -11.965 5.035 4.574 55 HD3 PRO 7 1HD PRO 7 -12.302 6.735 4.971 56 H GLU 8 H GLU 8 -10.171 3.724 5.266 57 HA GLU 8 HA GLU 8 -9.491 1.303 6.618 58 HB2 GLU 8 2HB GLU 8 -8.934 2.152 3.765 59 HB3 GLU 8 1HB GLU 8 -8.720 0.527 4.402 60 HG2 GLU 8 2HG GLU 8 -11.323 2.017 4.080 61 HG3 GLU 8 1HG GLU 8 -10.760 0.651 3.124 62 H PHE 9 H PHE 9 -7.891 4.108 5.355 63 HA PHE 9 HA PHE 9 -5.223 3.281 5.640 64 HB2 PHE 9 2HB PHE 9 -5.838 5.329 4.416 65 HB3 PHE 9 1HB PHE 9 -6.341 6.081 5.922 66 HD1 PHE 9 2HD PHE 9 -3.419 4.763 4.079 67 HD2 PHE 9 1HD PHE 9 -4.765 7.146 7.347 68 HE1 PHE 9 2HE PHE 9 -1.122 5.596 4.429 69 HE2 PHE 9 1HE PHE 9 -2.472 7.972 7.689 70 HZ PHE 9 HZ PHE 9 -0.659 7.193 6.234 71 H VAL 10 H VAL 10 -7.314 4.966 7.978 72 HA VAL 10 HA VAL 10 -5.316 5.083 9.953 73 HB VAL 10 HB VAL 10 -7.360 6.531 10.052 74 HG11 VAL 10 1HG1 VAL 10 -8.792 4.080 10.993 75 HG12 VAL 10 2HG1 VAL 10 -9.053 4.929 9.470 76 HG13 VAL 10 3HG1 VAL 10 -9.431 5.726 11.000 77 HG21 VAL 10 3HG2 VAL 10 -6.834 4.893 12.525 78 HG22 VAL 10 1HG2 VAL 10 -7.644 6.457 12.498 79 HG23 VAL 10 2HG2 VAL 10 -5.955 6.333 12.016 80 H LYS 11 H LYS 11 -7.641 2.591 9.195 81 HA LYS 11 HA LYS 11 -6.968 1.037 11.446 82 HB2 LYS 11 2HB LYS 11 -8.324 0.309 8.880 83 HB3 LYS 11 1HB LYS 11 -8.057 -0.844 10.185 84 HG2 LYS 11 2HG LYS 11 -9.303 0.615 11.711 85 HG3 LYS 11 1HG LYS 11 -9.603 1.721 10.379 86 HD2 LYS 11 2HD LYS 11 -10.464 -1.158 10.404 87 HD3 LYS 11 1HD LYS 11 -11.511 0.187 10.859 88 HE2 LYS 11 2HE LYS 11 -11.135 1.162 8.609 89 HE3 LYS 11 1HE LYS 11 -10.189 -0.262 8.191 90 HZ1 LYS 11 3HZ LYS 11 -12.420 -0.315 7.394 91 HZ2 LYS 11 1HZ LYS 11 -13.048 -0.306 8.964 92 HZ3 LYS 11 2HZ LYS 11 -12.116 -1.625 8.423 93 H LEU 12 H LEU 12 -5.578 1.278 8.240 94 HA LEU 12 HA LEU 12 -3.921 -1.008 8.370 95 HB2 LEU 12 2HB LEU 12 -3.398 1.646 7.023 96 HB3 LEU 12 1HB LEU 12 -2.403 0.227 6.818 97 HG LEU 12 HG LEU 12 -5.296 0.441 6.001 98 HD11 LEU 12 1HD1 LEU 12 -3.849 1.863 4.666 99 HD12 LEU 12 2HD1 LEU 12 -4.375 0.457 3.738 100 HD13 LEU 12 3HD1 LEU 12 -2.748 0.512 4.409 101 HD21 LEU 12 3HD2 LEU 12 -4.846 -1.669 4.824 102 HD22 LEU 12 1HD2 LEU 12 -4.644 -1.850 6.565 103 HD23 LEU 12 2HD2 LEU 12 -3.230 -1.706 5.522 104 H ARG 13 H ARG 13 -3.544 2.211 9.580 105 HA ARG 13 HA ARG 13 -0.886 2.131 10.509 106 HB2 ARG 13 2HB ARG 13 -2.315 4.159 10.303 107 HB3 ARG 13 1HB ARG 13 -3.273 3.600 11.656 108 HG2 ARG 13 2HG ARG 13 -1.808 5.291 12.435 109 HG3 ARG 13 1HG ARG 13 -1.237 3.752 13.075 110 HD2 ARG 13 2HD ARG 13 0.484 3.664 11.343 111 HD3 ARG 13 1HD ARG 13 -0.117 5.181 10.665 112 HE ARG 13 HE ARG 13 0.489 5.438 13.405 113 HH11 ARG 13 1HH1 ARG 13 2.090 5.364 10.227 114 HH12 ARG 13 2HH1 ARG 13 3.427 6.278 10.755 115 HH21 ARG 13 1HH2 ARG 13 2.320 6.710 14.061 116 HH22 ARG 13 2HH2 ARG 13 3.574 7.039 12.968 117 H GLN 14 H GLN 14 -3.920 1.163 11.930 118 HA GLN 14 HA GLN 14 -2.809 0.376 14.460 119 HB2 GLN 14 2HB GLN 14 -5.541 0.044 13.234 120 HB3 GLN 14 1HB GLN 14 -5.146 -0.409 14.886 121 HG2 GLN 14 2HG GLN 14 -4.636 1.871 15.457 122 HG3 GLN 14 1HG GLN 14 -4.800 2.369 13.780 123 HE21 GLN 14 1HE2 GLN 14 -6.800 2.631 12.926 124 HE22 GLN 14 2HE2 GLN 14 -8.251 2.692 13.862 125 H PHE 15 H PHE 15 -3.776 -1.196 11.503 126 HA PHE 15 HA PHE 15 -3.653 -3.906 12.214 127 HB2 PHE 15 2HB PHE 15 -4.566 -2.837 10.093 128 HB3 PHE 15 1HB PHE 15 -2.912 -2.606 9.578 129 HD1 PHE 15 2HD PHE 15 -5.488 -5.138 10.325 130 HD2 PHE 15 1HD PHE 15 -1.738 -4.349 8.483 131 HE1 PHE 15 2HE PHE 15 -5.591 -7.322 9.189 132 HE2 PHE 15 1HE PHE 15 -1.843 -6.523 7.336 133 HZ PHE 15 HZ PHE 15 -3.769 -8.013 7.691 134 H LYS 16 H LYS 16 -1.294 -1.661 10.957 135 HA LYS 16 HA LYS 16 0.896 -1.483 10.919 136 HB2 LYS 16 2HB LYS 16 0.613 -1.463 13.362 137 HB3 LYS 16 1HB LYS 16 0.844 -3.203 13.401 138 HG2 LYS 16 2HG LYS 16 3.133 -2.949 12.631 139 HG3 LYS 16 1HG LYS 16 2.912 -1.205 12.492 140 HD2 LYS 16 2HD LYS 16 2.471 -1.071 14.889 141 HD3 LYS 16 1HD LYS 16 2.715 -2.812 15.036 142 HE2 LYS 16 2HE LYS 16 5.017 -2.581 14.336 143 HE3 LYS 16 1HE LYS 16 4.790 -0.858 14.056 144 HZ1 LYS 16 3HZ LYS 16 4.271 -0.674 16.490 145 HZ2 LYS 16 1HZ LYS 16 5.860 -1.185 16.188 146 HZ3 LYS 16 2HZ LYS 16 4.705 -2.291 16.635 147 H GLY 17 H GLY 17 0.627 -2.727 8.967 148 HA2 GLY 17 2HA GLY 17 1.910 -3.874 7.473 149 HA3 GLY 17 1HA GLY 17 2.929 -4.384 8.801 150 H LYS 18 H LYS 18 2.460 -6.300 9.874 151 HA LYS 18 HA LYS 18 2.192 -8.533 9.875 152 HB2 LYS 18 2HB LYS 18 -0.539 -7.737 8.883 153 HB3 LYS 18 1HB LYS 18 -0.122 -9.367 9.399 154 HG2 LYS 18 2HG LYS 18 0.215 -8.696 11.629 155 HG3 LYS 18 1HG LYS 18 0.256 -6.988 11.194 156 HD2 LYS 18 2HD LYS 18 -1.863 -7.477 12.221 157 HD3 LYS 18 1HD LYS 18 -2.030 -7.130 10.492 158 HE2 LYS 18 2HE LYS 18 -3.482 -9.010 11.103 159 HE3 LYS 18 1HE LYS 18 -2.189 -9.564 10.045 160 HZ1 LYS 18 3HZ LYS 18 -2.577 -11.070 11.904 161 HZ2 LYS 18 1HZ LYS 18 -2.254 -9.842 12.997 162 HZ3 LYS 18 2HZ LYS 18 -1.021 -10.429 12.009 163 H VAL 19 H VAL 19 3.022 -7.134 7.408 164 HA VAL 19 HA VAL 19 2.811 -9.353 5.505 165 HB VAL 19 HB VAL 19 2.848 -7.647 3.663 166 HG11 VAL 19 1HG1 VAL 19 0.510 -6.959 3.818 167 HG12 VAL 19 2HG1 VAL 19 0.496 -7.392 5.526 168 HG13 VAL 19 3HG1 VAL 19 0.717 -8.641 4.301 169 HG21 VAL 19 3HG2 VAL 19 2.415 -5.697 5.924 170 HG22 VAL 19 1HG2 VAL 19 2.204 -5.324 4.209 171 HG23 VAL 19 2HG2 VAL 19 3.793 -5.777 4.821 172 H ASN 20 H ASN 20 4.619 -9.187 3.891 173 HA ASN 20 HA ASN 20 7.122 -8.570 5.199 174 HB2 ASN 20 2HB ASN 20 6.674 -10.498 3.471 175 HB3 ASN 20 1HB ASN 20 6.733 -9.161 2.312 176 HD21 ASN 20 1HD2 ASN 20 8.445 -11.479 2.653 177 HD22 ASN 20 2HD2 ASN 20 10.045 -10.861 2.774 178 H PHE 21 H PHE 21 7.898 -6.551 5.203 179 HA PHE 21 HA PHE 21 6.829 -4.365 3.817 180 HB2 PHE 21 2HB PHE 21 8.131 -4.061 5.841 181 HB3 PHE 21 1HB PHE 21 9.540 -4.763 5.075 182 HD1 PHE 21 1HD PHE 21 7.324 -1.794 5.001 183 HD2 PHE 21 2HD PHE 21 11.051 -3.478 3.841 184 HE1 PHE 21 1HE PHE 21 8.101 0.425 4.273 185 HE2 PHE 21 2HE PHE 21 11.835 -1.270 3.109 186 HZ PHE 21 HZ PHE 21 10.371 0.680 3.313 187 H ASN 22 H ASN 22 9.247 -6.660 2.951 188 HA ASN 22 HA ASN 22 10.608 -5.059 1.002 189 HB2 ASN 22 2HB ASN 22 10.519 -8.081 1.207 190 HB3 ASN 22 1HB ASN 22 11.609 -7.157 0.186 191 HD21 ASN 22 1HD2 ASN 22 12.238 -9.053 2.253 192 HD22 ASN 22 2HD2 ASN 22 13.199 -8.219 3.408 193 H LEU 23 H LEU 23 7.997 -7.376 0.903 194 HA LEU 23 HA LEU 23 7.965 -7.272 -1.936 195 HB2 LEU 23 2HB LEU 23 7.369 -9.339 -0.738 196 HB3 LEU 23 1HB LEU 23 5.947 -8.541 -0.097 197 HG LEU 23 HG LEU 23 4.971 -8.381 -2.322 198 HD11 LEU 23 1HD1 LEU 23 7.016 -8.040 -3.621 199 HD12 LEU 23 2HD1 LEU 23 6.087 -9.394 -4.257 200 HD13 LEU 23 3HD1 LEU 23 7.519 -9.696 -3.276 201 HD21 LEU 23 3HD2 LEU 23 6.096 -11.120 -1.802 202 HD22 LEU 23 1HD2 LEU 23 4.684 -10.742 -2.790 203 HD23 LEU 23 2HD2 LEU 23 4.656 -10.438 -1.051 204 H VAL 24 H VAL 24 6.066 -5.822 0.671 205 HA VAL 24 HA VAL 24 4.034 -4.684 -0.913 206 HB VAL 24 HB VAL 24 5.264 -3.458 1.574 207 HG11 VAL 24 1HG1 VAL 24 3.873 -1.871 0.356 208 HG12 VAL 24 2HG1 VAL 24 3.085 -2.355 1.858 209 HG13 VAL 24 3HG1 VAL 24 2.549 -3.036 0.318 210 HG21 VAL 24 3HG2 VAL 24 2.942 -5.351 1.296 211 HG22 VAL 24 1HG2 VAL 24 3.473 -4.566 2.782 212 HG23 VAL 24 2HG2 VAL 24 4.525 -5.732 1.977 213 H MET 25 H MET 25 7.216 -3.517 -0.031 214 HA MET 25 HA MET 25 7.109 -0.991 -1.209 215 HB2 MET 25 2HB MET 25 8.875 -1.657 0.334 216 HB3 MET 25 1HB MET 25 9.452 -2.865 -0.793 217 HG2 MET 25 2HG MET 25 9.403 0.024 -1.519 218 HG3 MET 25 1HG MET 25 10.730 -0.623 -0.548 219 HE1 MET 25 3HE MET 25 12.319 -3.184 -3.080 220 HE2 MET 25 1HE MET 25 11.029 -3.571 -1.937 221 HE3 MET 25 2HE MET 25 12.347 -2.519 -1.444 222 H GLN 26 H GLN 26 7.919 -4.118 -2.560 223 HA GLN 26 HA GLN 26 8.517 -3.050 -5.107 224 HB2 GLN 26 2HB GLN 26 9.491 -5.170 -4.408 225 HB3 GLN 26 1HB GLN 26 7.893 -5.884 -4.278 226 HG2 GLN 26 2HG GLN 26 7.572 -5.565 -6.694 227 HG3 GLN 26 1HG GLN 26 9.204 -4.923 -6.812 228 HE21 GLN 26 1HE2 GLN 26 9.829 -6.533 -8.202 229 HE22 GLN 26 2HE2 GLN 26 10.072 -8.150 -7.691 230 H ILE 27 H ILE 27 5.630 -4.437 -3.604 231 HA ILE 27 HA ILE 27 3.964 -4.727 -5.846 232 HB ILE 27 HB ILE 27 3.174 -3.834 -3.050 233 HG12 ILE 27 2HG1 ILE 27 4.229 -6.039 -3.012 234 HG13 ILE 27 1HG1 ILE 27 2.518 -6.175 -2.650 235 HG21 ILE 27 1HG2 ILE 27 1.381 -4.882 -5.228 236 HG22 ILE 27 2HG2 ILE 27 1.411 -3.244 -4.578 237 HG23 ILE 27 3HG2 ILE 27 0.895 -4.587 -3.558 238 HD11 ILE 27 3HD1 ILE 27 2.112 -6.947 -4.940 239 HD12 ILE 27 1HD1 ILE 27 3.252 -7.978 -4.073 240 HD13 ILE 27 2HD1 ILE 27 3.841 -6.828 -5.273 241 H LEU 28 H LEU 28 4.502 -1.960 -3.764 242 HA LEU 28 HA LEU 28 2.794 -0.142 -5.067 243 HB2 LEU 28 2HB LEU 28 5.277 0.364 -3.442 244 HB3 LEU 28 1HB LEU 28 4.050 1.551 -3.833 245 HG LEU 28 HG LEU 28 3.578 -0.908 -2.147 246 HD11 LEU 28 1HD1 LEU 28 3.928 1.963 -1.344 247 HD12 LEU 28 2HD1 LEU 28 5.071 0.654 -1.068 248 HD13 LEU 28 3HD1 LEU 28 3.494 0.629 -0.271 249 HD21 LEU 28 3HD2 LEU 28 1.467 0.199 -1.568 250 HD22 LEU 28 1HD2 LEU 28 1.561 -0.148 -3.295 251 HD23 LEU 28 2HD2 LEU 28 1.840 1.492 -2.706 252 H ASP 29 H ASP 29 6.194 -0.905 -5.412 253 HA ASP 29 HA ASP 29 6.960 1.104 -7.264 254 HB2 ASP 29 2HB ASP 29 8.498 -0.357 -5.929 255 HB3 ASP 29 1HB ASP 29 8.007 -1.684 -6.928 256 H GLU 30 H GLU 30 5.976 -2.183 -7.617 257 HA GLU 30 HA GLU 30 6.241 -2.546 -10.371 258 HB2 GLU 30 2HB GLU 30 5.774 -4.232 -8.431 259 HB3 GLU 30 1HB GLU 30 4.087 -3.891 -8.774 260 HG2 GLU 30 2HG GLU 30 4.602 -5.847 -9.941 261 HG3 GLU 30 1HG GLU 30 4.562 -4.569 -11.152 262 H ILE 31 H ILE 31 3.365 -1.549 -8.457 263 HA ILE 31 HA ILE 31 1.759 -1.237 -10.803 264 HB ILE 31 HB ILE 31 0.060 -0.129 -9.420 265 HG12 ILE 31 2HG1 ILE 31 2.079 -0.230 -7.161 266 HG13 ILE 31 1HG1 ILE 31 1.558 1.217 -8.013 267 HG21 ILE 31 1HG2 ILE 31 1.267 -2.519 -8.069 268 HG22 ILE 31 2HG2 ILE 31 0.059 -2.523 -9.359 269 HG23 ILE 31 3HG2 ILE 31 -0.346 -1.899 -7.756 270 HD11 ILE 31 3HD1 ILE 31 -0.192 -0.548 -6.331 271 HD12 ILE 31 1HD1 ILE 31 -0.696 0.922 -7.168 272 HD13 ILE 31 2HD1 ILE 31 0.482 1.012 -5.856 273 H GLU 32 H GLU 32 3.652 0.930 -8.834 274 HA GLU 32 HA GLU 32 2.990 3.414 -9.821 275 HB2 GLU 32 2HB GLU 32 4.445 2.984 -7.903 276 HB3 GLU 32 1HB GLU 32 5.684 2.365 -8.972 277 HG2 GLU 32 2HG GLU 32 5.913 4.556 -9.973 278 HG3 GLU 32 1HG GLU 32 4.668 5.185 -8.888 279 H LEU 33 H LEU 33 5.542 1.251 -10.975 280 HA LEU 33 HA LEU 33 6.290 2.951 -13.102 281 HB2 LEU 33 2HB LEU 33 7.736 1.136 -13.874 282 HB3 LEU 33 1HB LEU 33 7.900 1.440 -12.164 283 HG LEU 33 HG LEU 33 6.304 -0.591 -11.887 284 HD11 LEU 33 1HD1 LEU 33 6.500 -2.288 -13.615 285 HD12 LEU 33 2HD1 LEU 33 7.353 -1.145 -14.653 286 HD13 LEU 33 3HD1 LEU 33 5.669 -0.851 -14.214 287 HD21 LEU 33 3HD2 LEU 33 8.606 -0.559 -11.169 288 HD22 LEU 33 1HD2 LEU 33 9.132 -0.904 -12.818 289 HD23 LEU 33 2HD2 LEU 33 8.207 -2.107 -11.920 290 H ASP 34 H ASP 34 3.924 0.440 -12.893 291 HA ASP 34 HA ASP 34 3.541 0.207 -15.739 292 HB2 ASP 34 2HB ASP 34 2.880 -1.633 -14.275 293 HB3 ASP 34 1HB ASP 34 1.730 -0.593 -13.445 294 H LEU 35 H LEU 35 1.828 1.738 -13.113 295 HA LEU 35 HA LEU 35 -0.261 2.886 -14.550 296 HB2 LEU 35 2HB LEU 35 -0.313 2.612 -12.159 297 HB3 LEU 35 1HB LEU 35 1.044 3.698 -11.967 298 HG LEU 35 HG LEU 35 -0.371 5.545 -12.832 299 HD11 LEU 35 1HD1 LEU 35 -2.784 5.227 -12.915 300 HD12 LEU 35 2HD1 LEU 35 -2.558 3.497 -12.650 301 HD13 LEU 35 3HD1 LEU 35 -1.947 4.251 -14.119 302 HD21 LEU 35 3HD2 LEU 35 -1.419 4.080 -10.418 303 HD22 LEU 35 1HD2 LEU 35 -1.698 5.781 -10.792 304 HD23 LEU 35 2HD2 LEU 35 -0.066 5.209 -10.447 305 H ARG 36 H ARG 36 2.659 4.442 -13.252 306 HA ARG 36 HA ARG 36 3.710 6.367 -13.654 307 HB2 ARG 36 2HB ARG 36 2.796 5.916 -16.501 308 HB3 ARG 36 1HB ARG 36 4.042 7.059 -16.013 309 HG2 ARG 36 2HG ARG 36 4.163 4.072 -15.684 310 HG3 ARG 36 1HG ARG 36 4.954 4.999 -16.958 311 HD2 ARG 36 2HD ARG 36 5.465 5.339 -14.003 312 HD3 ARG 36 1HD ARG 36 6.468 4.395 -15.094 313 HE ARG 36 HE ARG 36 6.129 7.032 -16.053 314 HH11 ARG 36 1HH1 ARG 36 7.855 5.218 -13.584 315 HH12 ARG 36 2HH1 ARG 36 9.206 6.217 -13.529 316 HH21 ARG 36 1HH2 ARG 36 7.942 8.474 -16.012 317 HH22 ARG 36 2HH2 ARG 36 9.259 8.181 -14.978 318 H GLY 37 H GLY 37 1.242 7.003 -16.105 319 HA2 GLY 37 2HA GLY 37 0.018 8.990 -14.325 320 HA3 GLY 37 1HA GLY 37 0.626 9.497 -15.899 321 H SER 38 H SER 38 -0.626 6.346 -15.692 322 HA SER 38 HA SER 38 -2.773 7.000 -17.500 323 HB2 SER 38 2HB SER 38 -2.082 4.348 -16.194 324 HB3 SER 38 1HB SER 38 -3.088 4.588 -17.618 325 HG SER 38 HG SER 38 -0.318 4.874 -17.317 326 H ASP 39 H ASP 39 -5.013 5.844 -16.930 327 HA ASP 39 HA ASP 39 -5.642 6.704 -14.204 328 HB2 ASP 39 2HB ASP 39 -7.904 7.164 -14.867 329 HB3 ASP 39 1HB ASP 39 -6.838 7.913 -16.037 330 H ASN 40 H ASN 40 -5.350 3.960 -16.079 331 HA ASN 40 HA ASN 40 -7.260 2.382 -14.590 332 HB2 ASN 40 2HB ASN 40 -5.325 1.688 -16.787 333 HB3 ASN 40 1HB ASN 40 -6.212 0.457 -15.906 334 HD21 ASN 40 1HD2 ASN 40 -6.306 1.137 -18.675 335 HD22 ASN 40 2HD2 ASN 40 -7.918 1.570 -19.071 336 H ILE 41 H ILE 41 -5.713 3.353 -12.728 337 HA ILE 41 HA ILE 41 -3.420 1.827 -12.041 338 HB ILE 41 HB ILE 41 -3.812 3.928 -10.883 339 HG12 ILE 41 2HG1 ILE 41 -4.020 1.604 -8.934 340 HG13 ILE 41 1HG1 ILE 41 -2.533 2.134 -9.695 341 HG21 ILE 41 1HG2 ILE 41 -6.193 4.026 -10.884 342 HG22 ILE 41 2HG2 ILE 41 -5.665 4.142 -9.206 343 HG23 ILE 41 3HG2 ILE 41 -6.316 2.622 -9.846 344 HD11 ILE 41 3HD1 ILE 41 -2.718 4.271 -8.509 345 HD12 ILE 41 1HD1 ILE 41 -2.656 2.880 -7.427 346 HD13 ILE 41 2HD1 ILE 41 -4.195 3.682 -7.725 347 H LYS 42 H LYS 42 -6.779 1.322 -11.476 348 HA LYS 42 HA LYS 42 -6.554 -0.870 -9.766 349 HB2 LYS 42 2HB LYS 42 -8.916 -1.434 -10.812 350 HB3 LYS 42 1HB LYS 42 -8.698 -0.091 -9.705 351 HG2 LYS 42 2HG LYS 42 -10.098 0.658 -11.490 352 HG3 LYS 42 1HG LYS 42 -8.560 1.440 -11.665 353 HD2 LYS 42 2HD LYS 42 -9.305 0.756 -13.843 354 HD3 LYS 42 1HD LYS 42 -7.910 -0.211 -13.394 355 HE2 LYS 42 2HE LYS 42 -9.533 -1.649 -14.429 356 HE3 LYS 42 1HE LYS 42 -9.454 -2.049 -12.720 357 HZ1 LYS 42 3HZ LYS 42 -11.582 -0.538 -14.139 358 HZ2 LYS 42 1HZ LYS 42 -11.493 -0.609 -12.448 359 HZ3 LYS 42 2HZ LYS 42 -11.693 -2.010 -13.330 360 H THR 43 H THR 43 -6.143 -0.661 -13.187 361 HA THR 43 HA THR 43 -6.278 -3.467 -13.651 362 HB THR 43 HB THR 43 -5.026 -1.324 -15.386 363 HG1 THR 43 1HG THR 43 -7.351 -1.610 -16.300 364 HG21 THR 43 3HG2 THR 43 -4.668 -3.670 -16.062 365 HG22 THR 43 1HG2 THR 43 -5.706 -2.814 -17.203 366 HG23 THR 43 2HG2 THR 43 -6.413 -3.925 -16.031 367 H SER 44 H SER 44 -3.774 -0.977 -13.099 368 HA SER 44 HA SER 44 -1.500 -2.515 -13.436 369 HB2 SER 44 2HB SER 44 -1.940 -0.300 -11.413 370 HB3 SER 44 1HB SER 44 -0.398 -0.815 -12.103 371 HG SER 44 HG SER 44 -1.098 -0.127 -14.110 372 H ILE 45 H ILE 45 -3.605 -1.995 -10.678 373 HA ILE 45 HA ILE 45 -2.344 -3.456 -8.681 374 HB ILE 45 HB ILE 45 -5.312 -3.148 -9.243 375 HG12 ILE 45 2HG1 ILE 45 -4.195 -1.006 -8.845 376 HG13 ILE 45 1HG1 ILE 45 -5.305 -1.393 -7.538 377 HG21 ILE 45 1HG2 ILE 45 -5.029 -5.053 -7.805 378 HG22 ILE 45 2HG2 ILE 45 -5.722 -3.706 -6.895 379 HG23 ILE 45 3HG2 ILE 45 -4.014 -4.106 -6.715 380 HD11 ILE 45 3HD1 ILE 45 -3.395 -2.103 -6.166 381 HD12 ILE 45 1HD1 ILE 45 -3.263 -0.420 -6.684 382 HD13 ILE 45 2HD1 ILE 45 -2.309 -1.666 -7.487 383 H ILE 46 H ILE 46 -4.698 -4.509 -11.117 384 HA ILE 46 HA ILE 46 -4.992 -7.139 -10.366 385 HB ILE 46 HB ILE 46 -5.187 -5.979 -13.163 386 HG12 ILE 46 2HG1 ILE 46 -7.321 -6.593 -11.102 387 HG13 ILE 46 1HG1 ILE 46 -6.702 -4.990 -11.479 388 HG21 ILE 46 1HG2 ILE 46 -6.210 -8.634 -12.129 389 HG22 ILE 46 2HG2 ILE 46 -4.899 -8.411 -13.286 390 HG23 ILE 46 3HG2 ILE 46 -6.546 -7.957 -13.724 391 HD11 ILE 46 3HD1 ILE 46 -8.853 -5.372 -12.532 392 HD12 ILE 46 1HD1 ILE 46 -8.217 -6.796 -13.353 393 HD13 ILE 46 2HD1 ILE 46 -7.596 -5.197 -13.756 394 H TYR 47 H TYR 47 -2.578 -5.841 -12.681 395 HA TYR 47 HA TYR 47 -1.529 -8.332 -13.491 396 HB2 TYR 47 2HB TYR 47 0.192 -5.875 -13.153 397 HB3 TYR 47 1HB TYR 47 0.434 -7.201 -14.264 398 HD1 TYR 47 2HD TYR 47 -1.823 -7.455 -15.900 399 HD2 TYR 47 1HD TYR 47 -0.318 -3.942 -14.080 400 HE1 TYR 47 2HE TYR 47 -2.912 -6.085 -17.644 401 HE2 TYR 47 1HE TYR 47 -1.389 -2.568 -15.797 402 HH TYR 47 HH TYR 47 -2.223 -2.699 -17.923 403 H VAL 48 H VAL 48 -0.437 -6.081 -11.028 404 HA VAL 48 HA VAL 48 1.805 -7.520 -10.170 405 HB VAL 48 HB VAL 48 0.208 -5.416 -8.707 406 HG11 VAL 48 1HG1 VAL 48 3.065 -6.307 -8.312 407 HG12 VAL 48 2HG1 VAL 48 1.727 -6.614 -7.211 408 HG13 VAL 48 3HG1 VAL 48 2.277 -4.961 -7.490 409 HG21 VAL 48 3HG2 VAL 48 2.539 -5.198 -10.600 410 HG22 VAL 48 1HG2 VAL 48 1.885 -3.864 -9.649 411 HG23 VAL 48 2HG2 VAL 48 0.892 -4.644 -10.875 412 H TYR 49 H TYR 49 -1.485 -7.345 -8.896 413 HA TYR 49 HA TYR 49 -0.924 -8.952 -6.650 414 HB2 TYR 49 2HB TYR 49 -3.511 -8.104 -7.942 415 HB3 TYR 49 1HB TYR 49 -3.484 -9.181 -6.554 416 HD1 TYR 49 2HD TYR 49 -1.135 -6.342 -6.996 417 HD2 TYR 49 1HD TYR 49 -4.640 -7.738 -5.054 418 HE1 TYR 49 2HE TYR 49 -1.053 -4.403 -5.496 419 HE2 TYR 49 1HE TYR 49 -4.574 -5.792 -3.536 420 HH TYR 49 HH TYR 49 -2.577 -3.104 -4.103 421 H SER 50 H SER 50 -1.985 -9.669 -9.899 422 HA SER 50 HA SER 50 -2.573 -12.403 -9.330 423 HB2 SER 50 2HB SER 50 -2.052 -11.066 -11.986 424 HB3 SER 50 1HB SER 50 -2.814 -12.643 -11.744 425 HG SER 50 HG SER 50 -3.737 -10.073 -11.201 426 H SER 51 H SER 51 0.267 -10.630 -10.041 427 HA SER 51 HA SER 51 1.775 -12.950 -10.834 428 HB2 SER 51 2HB SER 51 2.273 -10.742 -11.811 429 HB3 SER 51 1HB SER 51 2.682 -10.136 -10.211 430 HG SER 51 HG SER 51 4.353 -10.995 -11.771 431 H HIS 52 H HIS 52 1.412 -10.921 -7.983 432 HA HIS 52 HA HIS 52 3.320 -12.631 -6.515 433 HB2 HIS 52 2HB HIS 52 2.315 -9.846 -5.832 434 HB3 HIS 52 1HB HIS 52 3.496 -10.757 -4.908 435 HD1 HIS 52 1HD HIS 52 5.919 -10.880 -5.902 436 HD2 HIS 52 2HD HIS 52 3.281 -8.598 -8.141 437 HE1 HIS 52 1HE HIS 52 7.348 -9.509 -7.445 438 HE2 HIS 52 2HE HIS 52 5.686 -8.521 -9.025 439 H LEU 53 H LEU 53 0.895 -13.656 -7.007 440 HA LEU 53 HA LEU 53 -1.349 -13.183 -5.540 441 HB2 LEU 53 2HB LEU 53 -0.197 -15.789 -6.437 442 HB3 LEU 53 1HB LEU 53 -1.771 -15.654 -5.691 443 HG LEU 53 HG LEU 53 -0.997 -14.181 -8.178 444 HD11 LEU 53 1HD1 LEU 53 -2.268 -15.916 -9.380 445 HD12 LEU 53 2HD1 LEU 53 -2.485 -16.796 -7.868 446 HD13 LEU 53 3HD1 LEU 53 -0.872 -16.610 -8.560 447 HD21 LEU 53 3HD2 LEU 53 -3.473 -14.047 -8.447 448 HD22 LEU 53 1HD2 LEU 53 -2.877 -13.200 -7.012 449 HD23 LEU 53 2HD2 LEU 53 -3.632 -14.783 -6.855 450 H ASP 54 H ASP 54 1.444 -15.002 -4.417 451 HA ASP 54 HA ASP 54 0.080 -16.250 -2.307 452 HB2 ASP 54 2HB ASP 54 2.240 -17.116 -3.070 453 HB3 ASP 54 1HB ASP 54 3.042 -15.720 -2.353 454 H GLU 55 H GLU 55 2.053 -13.303 -2.075 455 HA GLU 55 HA GLU 55 1.394 -13.023 0.703 456 HB2 GLU 55 2HB GLU 55 3.423 -12.028 -0.260 457 HB3 GLU 55 1HB GLU 55 2.441 -10.960 -1.246 458 HG2 GLU 55 2HG GLU 55 3.345 -9.733 0.608 459 HG3 GLU 55 1HG GLU 55 1.606 -9.881 0.806 460 H ILE 56 H ILE 56 -0.091 -12.053 -2.272 461 HA ILE 56 HA ILE 56 -1.881 -10.104 -1.251 462 HB ILE 56 HB ILE 56 -2.339 -11.950 -3.616 463 HG12 ILE 56 2HG1 ILE 56 -0.296 -10.733 -4.072 464 HG13 ILE 56 1HG1 ILE 56 -1.601 -10.018 -5.008 465 HG21 ILE 56 1HG2 ILE 56 -3.640 -9.314 -2.956 466 HG22 ILE 56 2HG2 ILE 56 -4.397 -10.903 -2.890 467 HG23 ILE 56 3HG2 ILE 56 -3.889 -10.235 -4.440 468 HD11 ILE 56 3HD1 ILE 56 -0.477 -8.898 -2.458 469 HD12 ILE 56 1HD1 ILE 56 -1.763 -8.190 -3.436 470 HD13 ILE 56 2HD1 ILE 56 -0.133 -8.331 -4.092 471 H ARG 57 H ARG 57 -2.171 -13.572 -1.755 472 HA ARG 57 HA ARG 57 -4.795 -13.719 -0.617 473 HB2 ARG 57 2HB ARG 57 -4.456 -16.206 -0.598 474 HB3 ARG 57 1HB ARG 57 -4.228 -15.458 -2.165 475 HG2 ARG 57 2HG ARG 57 -1.967 -15.777 -2.156 476 HG3 ARG 57 1HG ARG 57 -1.880 -15.888 -0.404 477 HD2 ARG 57 2HD ARG 57 -3.189 -17.950 -2.150 478 HD3 ARG 57 1HD ARG 57 -1.498 -18.031 -1.652 479 HE ARG 57 HE ARG 57 -3.810 -18.092 0.165 480 HH11 ARG 57 1HH1 ARG 57 -0.319 -18.787 -0.389 481 HH12 ARG 57 2HH1 ARG 57 -0.244 -19.926 0.850 482 HH21 ARG 57 1HH2 ARG 57 -3.604 -19.653 1.943 483 HH22 ARG 57 2HH2 ARG 57 -2.125 -20.433 2.205 484 H LYS 58 H LYS 58 -1.582 -13.811 0.720 485 HA LYS 58 HA LYS 58 -2.217 -15.015 3.188 486 HB2 LYS 58 2HB LYS 58 -0.096 -12.972 2.515 487 HB3 LYS 58 1HB LYS 58 -0.239 -13.746 4.077 488 HG2 LYS 58 2HG LYS 58 0.190 -15.204 1.507 489 HG3 LYS 58 1HG LYS 58 1.509 -14.696 2.571 490 HD2 LYS 58 2HD LYS 58 0.493 -16.093 4.353 491 HD3 LYS 58 1HD LYS 58 -0.724 -16.640 3.189 492 HE2 LYS 58 2HE LYS 58 1.005 -17.582 1.778 493 HE3 LYS 58 1HE LYS 58 2.255 -16.964 2.853 494 HZ1 LYS 58 3HZ LYS 58 1.909 -19.263 3.272 495 HZ2 LYS 58 1HZ LYS 58 0.260 -19.085 3.556 496 HZ3 LYS 58 2HZ LYS 58 1.395 -18.408 4.594 497 H ASN 59 H ASN 59 -2.012 -11.635 2.172 498 HA ASN 59 HA ASN 59 -3.742 -10.989 4.441 499 HB2 ASN 59 2HB ASN 59 -1.433 -9.347 3.416 500 HB3 ASN 59 1HB ASN 59 -2.632 -8.757 4.563 501 HD21 ASN 59 1HD2 ASN 59 0.168 -10.798 4.097 502 HD22 ASN 59 2HD2 ASN 59 0.386 -11.151 5.749 503 H LYS 60 H LYS 60 -5.236 -11.504 2.632 504 HA LYS 60 HA LYS 60 -5.522 -9.560 0.623 505 HB2 LYS 60 2HB LYS 60 -7.733 -10.419 0.131 506 HB3 LYS 60 1HB LYS 60 -6.531 -11.703 0.155 507 HG2 LYS 60 2HG LYS 60 -8.508 -11.094 2.342 508 HG3 LYS 60 1HG LYS 60 -8.794 -12.280 1.070 509 HD2 LYS 60 2HD LYS 60 -6.672 -13.426 1.902 510 HD3 LYS 60 1HD LYS 60 -6.763 -12.334 3.288 511 HE2 LYS 60 2HE LYS 60 -8.868 -14.332 2.440 512 HE3 LYS 60 1HE LYS 60 -7.793 -14.487 3.824 513 HZ1 LYS 60 3HZ LYS 60 -8.868 -12.446 4.743 514 HZ2 LYS 60 1HZ LYS 60 -9.942 -13.731 4.551 515 HZ3 LYS 60 2HZ LYS 60 -9.963 -12.487 3.457 516 H GLU 61 H GLU 61 -6.385 -9.484 3.861 517 HA GLU 61 HA GLU 61 -8.388 -7.526 3.874 518 HB2 GLU 61 2HB GLU 61 -6.082 -7.968 5.781 519 HB3 GLU 61 1HB GLU 61 -7.460 -6.931 6.067 520 HG2 GLU 61 2HG GLU 61 -7.678 -8.988 7.307 521 HG3 GLU 61 1HG GLU 61 -8.916 -8.897 6.061 522 H PHE 62 H PHE 62 -4.899 -7.325 4.261 523 HA PHE 62 HA PHE 62 -4.619 -4.556 4.349 524 HB2 PHE 62 2HB PHE 62 -2.935 -6.082 5.208 525 HB3 PHE 62 1HB PHE 62 -2.658 -6.730 3.600 526 HD1 PHE 62 2HD PHE 62 -2.297 -3.717 5.700 527 HD2 PHE 62 1HD PHE 62 -1.129 -5.716 2.137 528 HE1 PHE 62 2HE PHE 62 -0.524 -2.053 5.352 529 HE2 PHE 62 1HE PHE 62 0.652 -4.060 1.781 530 HZ PHE 62 HZ PHE 62 0.955 -2.224 3.387 531 H TYR 63 H TYR 63 -4.141 -6.837 1.699 532 HA TYR 63 HA TYR 63 -3.397 -4.825 -0.089 533 HB2 TYR 63 2HB TYR 63 -4.048 -7.713 -0.506 534 HB3 TYR 63 1HB TYR 63 -3.657 -6.641 -1.857 535 HD1 TYR 63 1HD TYR 63 -1.495 -5.387 -1.814 536 HD2 TYR 63 2HD TYR 63 -2.305 -8.592 0.851 537 HE1 TYR 63 1HE TYR 63 0.903 -5.577 -1.333 538 HE2 TYR 63 2HE TYR 63 0.068 -8.796 1.351 539 HH TYR 63 HH TYR 63 2.218 -8.228 0.347 540 H ASP 64 H ASP 64 -6.542 -6.081 0.686 541 HA ASP 64 HA ASP 64 -7.726 -4.958 -1.678 542 HB2 ASP 64 2HB ASP 64 -8.851 -6.777 -0.422 543 HB3 ASP 64 1HB ASP 64 -9.076 -5.679 0.934 544 H MET 65 H MET 65 -7.293 -3.950 1.655 545 HA MET 65 HA MET 65 -8.695 -1.542 1.534 546 HB2 MET 65 2HB MET 65 -6.413 -2.437 3.294 547 HB3 MET 65 1HB MET 65 -7.361 -0.978 3.562 548 HG2 MET 65 2HG MET 65 -9.332 -2.216 3.925 549 HG3 MET 65 1HG MET 65 -8.581 -3.691 3.341 550 HE1 MET 65 3HE MET 65 -8.758 -1.084 6.234 551 HE2 MET 65 1HE MET 65 -7.054 -1.053 5.781 552 HE3 MET 65 2HE MET 65 -7.531 -1.688 7.360 553 H ILE 66 H ILE 66 -5.203 -2.232 1.104 554 HA ILE 66 HA ILE 66 -4.663 0.494 0.627 555 HB ILE 66 HB ILE 66 -2.456 -0.117 -0.274 556 HG12 ILE 66 2HG1 ILE 66 -3.162 -2.966 0.313 557 HG13 ILE 66 1HG1 ILE 66 -3.232 -2.319 -1.326 558 HG21 ILE 66 1HG2 ILE 66 -1.541 -1.117 1.760 559 HG22 ILE 66 2HG2 ILE 66 -3.177 -1.518 2.281 560 HG23 ILE 66 3HG2 ILE 66 -2.700 0.171 2.092 561 HD11 ILE 66 3HD1 ILE 66 -0.837 -1.779 -1.161 562 HD12 ILE 66 1HD1 ILE 66 -1.143 -3.504 -0.962 563 HD13 ILE 66 2HD1 ILE 66 -0.799 -2.499 0.450 564 H ALA 67 H ALA 67 -5.450 -2.139 -1.587 565 HA ALA 67 HA ALA 67 -4.853 -0.873 -3.988 566 HB1 ALA 67 1HB ALA 67 -5.531 -3.225 -3.839 567 HB2 ALA 67 2HB ALA 67 -6.503 -2.346 -5.022 568 HB3 ALA 67 3HB ALA 67 -7.171 -2.719 -3.430 569 H GLU 68 H GLU 68 -7.684 -0.575 -1.959 570 HA GLU 68 HA GLU 68 -9.217 1.066 -3.700 571 HB2 GLU 68 2HB GLU 68 -10.140 -0.207 -1.784 572 HB3 GLU 68 1HB GLU 68 -9.261 0.843 -0.684 573 HG2 GLU 68 2HG GLU 68 -11.482 1.585 -0.702 574 HG3 GLU 68 1HG GLU 68 -10.533 2.749 -1.626 575 H ILE 69 H ILE 69 -7.235 1.759 -0.873 576 HA ILE 69 HA ILE 69 -7.375 4.545 -0.809 577 HB ILE 69 HB ILE 69 -5.131 2.720 0.107 578 HG12 ILE 69 2HG1 ILE 69 -7.371 3.982 1.687 579 HG13 ILE 69 1HG1 ILE 69 -7.404 2.332 1.070 580 HG21 ILE 69 1HG2 ILE 69 -4.311 5.024 -0.099 581 HG22 ILE 69 2HG2 ILE 69 -4.433 4.550 1.592 582 HG23 ILE 69 3HG2 ILE 69 -5.657 5.601 0.885 583 HD11 ILE 69 3HD1 ILE 69 -5.441 3.455 3.049 584 HD12 ILE 69 1HD1 ILE 69 -5.468 1.801 2.443 585 HD13 ILE 69 2HD1 ILE 69 -6.808 2.398 3.414 586 H LEU 70 H LEU 70 -4.990 2.454 -2.405 587 HA LEU 70 HA LEU 70 -3.258 4.373 -3.396 588 HB2 LEU 70 2HB LEU 70 -4.057 1.743 -4.656 589 HB3 LEU 70 1HB LEU 70 -2.709 2.723 -5.167 590 HG LEU 70 HG LEU 70 -2.917 1.553 -2.393 591 HD11 LEU 70 1HD1 LEU 70 -2.823 -0.254 -4.013 592 HD12 LEU 70 2HD1 LEU 70 -1.295 -0.110 -3.146 593 HD13 LEU 70 3HD1 LEU 70 -1.439 0.505 -4.792 594 HD21 LEU 70 3HD2 LEU 70 -0.517 2.031 -2.325 595 HD22 LEU 70 1HD2 LEU 70 -1.466 3.497 -2.568 596 HD23 LEU 70 2HD2 LEU 70 -0.620 2.759 -3.928 597 H GLN 71 H GLN 71 -6.187 3.086 -4.870 598 HA GLN 71 HA GLN 71 -6.030 4.528 -7.292 599 HB2 GLN 71 2HB GLN 71 -8.489 3.600 -5.800 600 HB3 GLN 71 1HB GLN 71 -8.451 4.099 -7.485 601 HG2 GLN 71 2HG GLN 71 -7.018 2.202 -8.018 602 HG3 GLN 71 1HG GLN 71 -6.978 1.751 -6.323 603 HE21 GLN 71 1HE2 GLN 71 -7.855 -0.246 -6.716 604 HE22 GLN 71 2HE2 GLN 71 -9.513 -0.470 -7.145 605 H ARG 72 H ARG 72 -7.776 5.222 -4.290 606 HA ARG 72 HA ARG 72 -9.004 7.577 -5.019 607 HB2 ARG 72 2HB ARG 72 -9.548 6.190 -3.042 608 HB3 ARG 72 1HB ARG 72 -8.033 6.677 -2.321 609 HG2 ARG 72 2HG ARG 72 -8.708 8.876 -2.057 610 HG3 ARG 72 1HG ARG 72 -10.150 8.664 -3.083 611 HD2 ARG 72 2HD ARG 72 -10.863 6.975 -1.388 612 HD3 ARG 72 1HD ARG 72 -9.548 7.546 -0.363 613 HE ARG 72 HE ARG 72 -11.450 9.481 -1.418 614 HH11 ARG 72 1HH1 ARG 72 -10.356 7.682 1.447 615 HH12 ARG 72 2HH1 ARG 72 -10.900 8.854 2.553 616 HH21 ARG 72 1HH2 ARG 72 -12.236 11.066 0.116 617 HH22 ARG 72 2HH2 ARG 72 -12.007 10.838 1.777 618 H TYR 73 H TYR 73 -5.977 7.109 -3.246 619 HA TYR 73 HA TYR 73 -5.626 9.937 -3.241 620 HB2 TYR 73 2HB TYR 73 -4.067 7.739 -1.948 621 HB3 TYR 73 1HB TYR 73 -3.548 9.420 -1.917 622 HD1 TYR 73 2HD TYR 73 -6.122 7.062 -0.796 623 HD2 TYR 73 1HD TYR 73 -4.663 11.036 -0.568 624 HE1 TYR 73 2HE TYR 73 -7.576 7.472 1.121 625 HE2 TYR 73 1HE TYR 73 -6.104 11.463 1.364 626 HH TYR 73 HH TYR 73 -7.485 9.038 3.115 627 H TYR 74 H TYR 74 -4.537 7.429 -5.339 628 HA TYR 74 HA TYR 74 -2.160 8.707 -6.166 629 HB2 TYR 74 2HB TYR 74 -2.009 6.917 -7.587 630 HB3 TYR 74 1HB TYR 74 -3.573 6.392 -7.006 631 HD1 TYR 74 2HD TYR 74 -1.848 8.223 -9.736 632 HD2 TYR 74 1HD TYR 74 -5.527 6.561 -8.391 633 HE1 TYR 74 2HE TYR 74 -2.812 8.554 -11.974 634 HE2 TYR 74 1HE TYR 74 -6.490 6.890 -10.612 635 HH TYR 74 HH TYR 74 -4.582 7.762 -13.320 636 H LYS 75 H LYS 75 -5.504 9.087 -7.023 637 HA LYS 75 HA LYS 75 -4.968 11.059 -9.039 638 HB2 LYS 75 2HB LYS 75 -6.890 9.428 -8.874 639 HB3 LYS 75 1HB LYS 75 -7.441 10.526 -7.633 640 HG2 LYS 75 2HG LYS 75 -7.805 12.314 -9.089 641 HG3 LYS 75 1HG LYS 75 -6.901 11.561 -10.393 642 HD2 LYS 75 2HD LYS 75 -9.516 10.565 -9.275 643 HD3 LYS 75 1HD LYS 75 -9.338 11.487 -10.765 644 HE2 LYS 75 2HE LYS 75 -8.145 8.747 -10.224 645 HE3 LYS 75 1HE LYS 75 -9.573 9.073 -11.184 646 HZ1 LYS 75 3HZ LYS 75 -6.819 10.010 -11.847 647 HZ2 LYS 75 1HZ LYS 75 -8.218 10.287 -12.758 648 HZ3 LYS 75 2HZ LYS 75 -7.619 8.714 -12.535 649 H LYS 76 H LYS 76 -5.960 10.954 -5.764 650 HA LYS 76 HA LYS 76 -6.625 13.711 -5.570 651 HB2 LYS 76 2HB LYS 76 -7.430 11.718 -4.107 652 HB3 LYS 76 1HB LYS 76 -5.969 12.010 -3.183 653 HG2 LYS 76 2HG LYS 76 -7.986 14.177 -3.674 654 HG3 LYS 76 1HG LYS 76 -8.154 13.043 -2.349 655 HD2 LYS 76 2HD LYS 76 -6.071 13.800 -1.390 656 HD3 LYS 76 1HD LYS 76 -5.754 14.823 -2.792 657 HE2 LYS 76 2HE LYS 76 -6.614 16.105 -0.873 658 HE3 LYS 76 1HE LYS 76 -7.682 16.189 -2.269 659 HZ1 LYS 76 3HZ LYS 76 -9.107 14.524 -1.216 660 HZ2 LYS 76 1HZ LYS 76 -8.920 15.875 -0.254 661 HZ3 LYS 76 2HZ LYS 76 -8.125 14.480 0.163 662 H ILE 77 H ILE 77 -3.697 11.938 -4.391 663 HA ILE 77 HA ILE 77 -2.440 14.598 -4.235 664 HB ILE 77 HB ILE 77 -0.907 13.742 -2.474 665 HG12 ILE 77 2HG1 ILE 77 -2.783 11.365 -2.393 666 HG13 ILE 77 1HG1 ILE 77 -1.124 11.323 -2.972 667 HG21 ILE 77 1HG2 ILE 77 -3.837 13.641 -1.796 668 HG22 ILE 77 2HG2 ILE 77 -2.820 15.080 -1.855 669 HG23 ILE 77 3HG2 ILE 77 -2.528 13.843 -0.632 670 HD11 ILE 77 3HD1 ILE 77 -0.345 11.899 -0.714 671 HD12 ILE 77 1HD1 ILE 77 -1.277 10.404 -0.752 672 HD13 ILE 77 2HD1 ILE 77 -2.019 11.889 -0.149 673 H GLY 78 H GLY 78 -2.005 11.302 -5.285 674 HA2 GLY 78 2HA GLY 78 -0.621 11.329 -7.431 675 HA3 GLY 78 1HA GLY 78 0.613 12.077 -6.415 676 H ILE 79 H ILE 79 0.332 9.380 -7.875 677 HA ILE 79 HA ILE 79 0.000 7.385 -5.924 678 HB ILE 79 HB ILE 79 -0.242 6.830 -8.326 679 HG12 ILE 79 2HG1 ILE 79 1.052 4.702 -8.385 680 HG13 ILE 79 1HG1 ILE 79 1.953 5.262 -6.980 681 HG21 ILE 79 1HG2 ILE 79 2.715 7.222 -8.546 682 HG22 ILE 79 2HG2 ILE 79 1.456 8.206 -9.290 683 HG23 ILE 79 3HG2 ILE 79 1.676 6.529 -9.789 684 HD11 ILE 79 3HD1 ILE 79 -0.090 5.248 -5.652 685 HD12 ILE 79 1HD1 ILE 79 0.201 3.669 -6.375 686 HD13 ILE 79 2HD1 ILE 79 -1.015 4.740 -7.065 687 H GLU 80 H GLU 80 2.920 9.043 -7.023 688 HA GLU 80 HA GLU 80 4.845 7.486 -5.772 689 HB2 GLU 80 2HB GLU 80 4.897 10.492 -5.877 690 HB3 GLU 80 1HB GLU 80 6.271 9.423 -5.721 691 HG2 GLU 80 2HG GLU 80 6.429 9.984 -7.932 692 HG3 GLU 80 1HG GLU 80 5.392 8.565 -8.070 693 H ASN 81 H ASN 81 2.997 10.153 -4.568 694 HA ASN 81 HA ASN 81 4.101 10.374 -1.984 695 HB2 ASN 81 2HB ASN 81 1.392 11.178 -3.048 696 HB3 ASN 81 1HB ASN 81 1.930 11.570 -1.423 697 HD21 ASN 81 1HD2 ASN 81 1.217 13.319 -3.700 698 HD22 ASN 81 2HD2 ASN 81 2.591 14.291 -3.956 699 H VAL 82 H VAL 82 1.299 8.637 -3.201 700 HA VAL 82 HA VAL 82 0.345 7.764 -0.693 701 HB VAL 82 HB VAL 82 -0.048 6.278 -3.293 702 HG11 VAL 82 1HG1 VAL 82 -2.185 5.618 -2.268 703 HG12 VAL 82 2HG1 VAL 82 -1.743 6.493 -0.806 704 HG13 VAL 82 3HG1 VAL 82 -0.802 5.089 -1.306 705 HG21 VAL 82 3HG2 VAL 82 -1.592 8.610 -2.208 706 HG22 VAL 82 1HG2 VAL 82 -2.057 7.638 -3.603 707 HG23 VAL 82 2HG2 VAL 82 -0.580 8.600 -3.652 708 H ASN 83 H ASN 83 2.361 6.177 -3.111 709 HA ASN 83 HA ASN 83 2.677 3.715 -1.858 710 HB2 ASN 83 2HB ASN 83 4.644 5.205 -3.619 711 HB3 ASN 83 1HB ASN 83 4.870 3.539 -3.105 712 HD21 ASN 83 1HD2 ASN 83 4.630 4.552 -5.846 713 HD22 ASN 83 2HD2 ASN 83 3.236 3.760 -6.470 714 H GLN 84 H GLN 84 4.571 6.628 -1.502 715 HA GLN 84 HA GLN 84 6.486 5.616 0.312 716 HB2 GLN 84 2HB GLN 84 6.325 7.847 -1.111 717 HB3 GLN 84 1HB GLN 84 5.585 8.466 0.354 718 HG2 GLN 84 2HG GLN 84 8.363 7.291 0.161 719 HG3 GLN 84 1HG GLN 84 7.992 9.006 0.175 720 HE21 GLN 84 1HE2 GLN 84 8.326 6.117 2.027 721 HE22 GLN 84 2HE2 GLN 84 8.234 6.828 3.581 722 H LEU 85 H LEU 85 3.390 7.324 0.762 723 HA LEU 85 HA LEU 85 3.519 7.431 3.577 724 HB2 LEU 85 2HB LEU 85 1.110 7.553 1.769 725 HB3 LEU 85 1HB LEU 85 1.071 7.890 3.486 726 HG LEU 85 HG LEU 85 2.578 9.474 1.405 727 HD11 LEU 85 1HD1 LEU 85 0.972 11.240 1.915 728 HD12 LEU 85 2HD1 LEU 85 0.110 10.141 2.990 729 HD13 LEU 85 3HD1 LEU 85 0.190 9.801 1.263 730 HD21 LEU 85 3HD2 LEU 85 3.007 11.068 3.233 731 HD22 LEU 85 1HD2 LEU 85 3.773 9.509 3.532 732 HD23 LEU 85 2HD2 LEU 85 2.287 9.937 4.376 733 H ILE 86 H ILE 86 2.202 4.988 1.411 734 HA ILE 86 HA ILE 86 0.981 3.409 3.408 735 HB ILE 86 HB ILE 86 2.196 2.543 0.758 736 HG12 ILE 86 2HG1 ILE 86 0.340 4.101 0.463 737 HG13 ILE 86 1HG1 ILE 86 -0.132 2.493 -0.065 738 HG21 ILE 86 1HG2 ILE 86 0.863 0.481 0.946 739 HG22 ILE 86 2HG2 ILE 86 0.376 0.960 2.570 740 HG23 ILE 86 3HG2 ILE 86 2.071 0.618 2.226 741 HD11 ILE 86 3HD1 ILE 86 -1.356 2.189 2.056 742 HD12 ILE 86 1HD1 ILE 86 -1.938 3.573 1.129 743 HD13 ILE 86 2HD1 ILE 86 -0.904 3.826 2.530 744 H LEU 87 H LEU 87 4.242 3.394 2.039 745 HA LEU 87 HA LEU 87 5.278 1.290 3.580 746 HB2 LEU 87 2HB LEU 87 6.668 3.716 2.453 747 HB3 LEU 87 1HB LEU 87 7.497 2.333 3.139 748 HG LEU 87 HG LEU 87 5.735 2.277 0.694 749 HD11 LEU 87 1HD1 LEU 87 8.725 2.078 0.991 750 HD12 LEU 87 2HD1 LEU 87 7.839 3.438 0.291 751 HD13 LEU 87 3HD1 LEU 87 7.820 1.859 -0.503 752 HD21 LEU 87 3HD2 LEU 87 5.657 0.179 1.905 753 HD22 LEU 87 1HD2 LEU 87 7.423 0.156 1.992 754 HD23 LEU 87 2HD2 LEU 87 6.610 0.007 0.432 755 H THR 88 H THR 88 5.067 4.697 4.164 756 HA THR 88 HA THR 88 6.468 4.892 6.575 757 HB THR 88 HB THR 88 4.075 6.491 5.638 758 HG1 THR 88 1HG THR 88 5.818 6.501 4.125 759 HG21 THR 88 3HG2 THR 88 6.281 7.256 7.564 760 HG22 THR 88 1HG2 THR 88 4.625 6.838 8.010 761 HG23 THR 88 2HG2 THR 88 4.940 8.275 7.040 762 H THR 89 H THR 89 3.128 4.037 5.921 763 HA THR 89 HA THR 89 2.230 4.171 8.600 764 HB THR 89 HB THR 89 0.973 2.855 6.179 765 HG1 THR 89 1HG THR 89 1.220 5.003 5.741 766 HG21 THR 89 3HG2 THR 89 -1.137 3.168 7.394 767 HG22 THR 89 1HG2 THR 89 -0.257 3.833 8.770 768 HG23 THR 89 2HG2 THR 89 -0.045 2.140 8.321 769 H ILE 90 H ILE 90 3.340 1.492 6.547 770 HA ILE 90 HA ILE 90 2.757 -0.417 8.643 771 HB ILE 90 HB ILE 90 3.745 -2.114 7.156 772 HG12 ILE 90 2HG1 ILE 90 4.227 0.182 5.231 773 HG13 ILE 90 1HG1 ILE 90 5.487 -0.647 6.132 774 HG21 ILE 90 1HG2 ILE 90 1.796 -0.269 5.782 775 HG22 ILE 90 2HG2 ILE 90 1.397 -1.546 6.930 776 HG23 ILE 90 3HG2 ILE 90 2.082 -1.958 5.360 777 HD11 ILE 90 3HD1 ILE 90 4.965 -2.713 4.947 778 HD12 ILE 90 1HD1 ILE 90 5.389 -1.408 3.842 779 HD13 ILE 90 2HD1 ILE 90 3.696 -1.876 4.048 780 H LYS 91 H LYS 91 5.349 1.542 7.689 781 HA LYS 91 HA LYS 91 7.560 0.089 8.662 782 HB2 LYS 91 2HB LYS 91 7.432 2.240 7.203 783 HB3 LYS 91 1HB LYS 91 7.340 3.082 8.738 784 HG2 LYS 91 2HG LYS 91 9.596 3.165 8.118 785 HG3 LYS 91 1HG LYS 91 9.493 1.892 9.339 786 HD2 LYS 91 2HD LYS 91 9.486 0.190 7.631 787 HD3 LYS 91 1HD LYS 91 9.466 1.410 6.367 788 HE2 LYS 91 2HE LYS 91 11.684 0.929 8.362 789 HE3 LYS 91 1HE LYS 91 11.713 0.533 6.647 790 HZ1 LYS 91 3HZ LYS 91 11.676 3.248 7.864 791 HZ2 LYS 91 1HZ LYS 91 11.482 2.971 6.200 792 HZ3 LYS 91 2HZ LYS 91 12.903 2.537 6.996 793 H LEU 92 H LEU 92 5.501 2.606 10.053 794 HA LEU 92 HA LEU 92 5.171 3.453 12.144 795 HB2 LEU 92 2HB LEU 92 4.408 0.877 12.159 796 HB3 LEU 92 1HB LEU 92 5.739 0.740 13.281 797 HG LEU 92 HG LEU 92 3.604 0.881 14.456 798 HD11 LEU 92 1HD1 LEU 92 5.221 3.358 14.897 799 HD12 LEU 92 2HD1 LEU 92 5.483 1.776 15.635 800 HD13 LEU 92 3HD1 LEU 92 4.023 2.694 16.009 801 HD21 LEU 92 3HD2 LEU 92 2.236 2.894 14.410 802 HD22 LEU 92 1HD2 LEU 92 2.326 2.129 12.826 803 HD23 LEU 92 2HD2 LEU 92 3.275 3.578 13.165 804 H GLU 93 H GLU 93 7.417 4.202 11.420 805 HA GLU 93 HA GLU 93 9.526 3.361 13.260 806 HB2 GLU 93 2HB GLU 93 9.991 2.940 10.949 807 HB3 GLU 93 1HB GLU 93 9.591 4.593 10.516 808 HG2 GLU 93 2HG GLU 93 11.539 5.363 11.771 809 HG3 GLU 93 1HG GLU 93 11.913 3.692 12.194 810 H HIS 94 H HIS 94 9.969 4.788 14.778 811 HA HIS 94 HA HIS 94 9.454 7.632 14.225 812 HB2 HIS 94 2HB HIS 94 8.198 6.594 16.150 813 HB3 HIS 94 1HB HIS 94 9.738 6.308 16.932 814 HD1 HIS 94 1HD HIS 94 10.136 7.974 18.682 815 HD2 HIS 94 2HD HIS 94 8.095 9.595 15.457 816 HE1 HIS 94 1HE HIS 94 9.696 10.367 19.293 817 HE2 HIS 94 2HE HIS 94 8.620 11.361 17.261 818 H HIS 95 H HIS 95 11.783 5.255 14.804 819 HA HIS 95 HA HIS 95 13.871 7.303 15.029 820 HB2 HIS 95 2HB HIS 95 13.551 5.865 17.140 821 HB3 HIS 95 1HB HIS 95 14.063 4.493 16.178 822 HD1 HIS 95 1HD HIS 95 16.530 4.021 16.237 823 HD2 HIS 95 2HD HIS 95 15.662 7.946 17.297 824 HE1 HIS 95 1HE HIS 95 18.688 5.011 16.989 825 HE2 HIS 95 2HE HIS 95 18.156 7.380 17.610 826 H HIS 96 H HIS 96 13.828 3.774 14.498 827 HA HIS 96 HA HIS 96 14.041 3.816 11.730 828 HB2 HIS 96 2HB HIS 96 16.638 3.806 13.176 829 HB3 HIS 96 1HB HIS 96 16.439 2.485 12.033 830 HD1 HIS 96 1HD HIS 96 16.381 3.102 9.478 831 HD2 HIS 96 2HD HIS 96 16.958 6.354 12.010 832 HE1 HIS 96 1HE HIS 96 17.017 5.004 8.014 833 HE2 HIS 96 2HE HIS 96 17.708 6.799 9.591 834 H HIS 97 H HIS 97 13.303 1.941 11.032 835 HA HIS 97 HA HIS 97 12.856 -0.031 13.115 836 HB2 HIS 97 2HB HIS 97 10.908 0.770 11.756 837 HB3 HIS 97 1HB HIS 97 11.644 0.036 10.337 838 HD1 HIS 97 1HD HIS 97 10.115 -1.945 9.837 839 HD2 HIS 97 2HD HIS 97 11.089 -1.618 13.857 840 HE1 HIS 97 1HE HIS 97 9.120 -3.949 10.921 841 HE2 HIS 97 2HE HIS 97 9.468 -3.546 13.394 842 H HIS 98 H HIS 98 15.096 -0.574 13.100 843 HA HIS 98 HA HIS 98 16.626 -2.208 12.994 844 HB2 HIS 98 2HB HIS 98 14.612 -3.726 12.706 845 HB3 HIS 98 1HB HIS 98 14.913 -3.671 10.979 846 HD1 HIS 98 1HD HIS 98 16.503 -4.894 14.196 847 HD2 HIS 98 2HD HIS 98 16.844 -5.454 10.086 848 HE1 HIS 98 1HE HIS 98 18.030 -6.828 13.908 849 HE2 HIS 98 2HE HIS 98 18.034 -7.288 11.452 850 H HIS 99 H HIS 99 15.742 -0.495 10.297 851 HA HIS 99 HA HIS 99 18.425 -0.758 9.213 852 HB2 HIS 99 2HB HIS 99 15.884 -1.228 7.775 853 HB3 HIS 99 1HB HIS 99 17.016 -0.156 6.963 854 HD1 HIS 99 1HD HIS 99 16.068 -3.411 6.631 855 HD2 HIS 99 2HD HIS 99 19.781 -1.684 7.296 856 HE1 HIS 99 1HE HIS 99 17.741 -5.046 5.759 857 HE2 HIS 99 2HE HIS 99 19.932 -4.128 6.506 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -2.545 18.271 5.488 2 H2 MET 1 2HT MET 1 -3.906 19.259 5.295 3 H3 MET 1 3HT MET 1 -2.898 18.875 3.975 4 HA MET 1 HA MET 1 -4.360 16.819 5.455 5 HB2 MET 1 2HB MET 1 -5.000 18.104 2.791 6 HB3 MET 1 1HB MET 1 -5.784 16.672 3.427 7 HG2 MET 1 2HG MET 1 -6.686 17.981 5.284 8 HG3 MET 1 1HG MET 1 -5.873 19.413 4.655 9 HE1 MET 1 2HE MET 1 -6.316 19.040 1.477 10 HE2 MET 1 3HE MET 1 -6.464 20.564 2.355 11 HE3 MET 1 1HE MET 1 -7.757 20.025 1.282 12 H SER 2 H SER 2 -3.943 14.792 4.682 13 HA SER 2 HA SER 2 -2.115 14.561 2.447 14 HB2 SER 2 2HB SER 2 -1.499 13.258 5.128 15 HB3 SER 2 1HB SER 2 -0.563 13.126 3.653 16 HG SER 2 HG SER 2 0.101 14.650 5.364 17 H ILE 3 H ILE 3 -3.393 12.543 5.073 18 HA ILE 3 HA ILE 3 -5.179 11.098 3.416 19 HB ILE 3 HB ILE 3 -2.983 10.339 2.466 20 HG12 ILE 3 2HG1 ILE 3 -4.429 8.065 3.823 21 HG13 ILE 3 1HG1 ILE 3 -5.089 8.913 2.431 22 HG21 ILE 3 1HG2 ILE 3 -1.623 8.749 3.783 23 HG22 ILE 3 2HG2 ILE 3 -2.634 9.086 5.182 24 HG23 ILE 3 3HG2 ILE 3 -1.650 10.371 4.483 25 HD11 ILE 3 3HD1 ILE 3 -2.496 7.376 2.521 26 HD12 ILE 3 1HD1 ILE 3 -3.134 8.228 1.115 27 HD13 ILE 3 2HD1 ILE 3 -4.002 6.843 1.770 28 H LEU 4 H LEU 4 -3.719 11.775 6.439 29 HA LEU 4 HA LEU 4 -4.502 9.488 7.897 30 HB2 LEU 4 2HB LEU 4 -3.954 12.296 8.860 31 HB3 LEU 4 1HB LEU 4 -4.041 10.874 9.875 32 HG LEU 4 HG LEU 4 -1.965 11.278 7.714 33 HD11 LEU 4 1HD1 LEU 4 -1.698 12.910 9.511 34 HD12 LEU 4 2HD1 LEU 4 -0.414 11.704 9.527 35 HD13 LEU 4 3HD1 LEU 4 -1.731 11.602 10.695 36 HD21 LEU 4 3HD2 LEU 4 -2.490 8.948 8.252 37 HD22 LEU 4 1HD2 LEU 4 -2.145 9.261 9.949 38 HD23 LEU 4 2HD2 LEU 4 -0.853 9.387 8.752 39 H GLU 5 H GLU 5 -6.229 12.060 6.602 40 HA GLU 5 HA GLU 5 -8.417 12.415 8.238 41 HB2 GLU 5 2HB GLU 5 -8.112 12.371 5.239 42 HB3 GLU 5 1HB GLU 5 -9.532 12.967 6.051 43 HG2 GLU 5 2HG GLU 5 -8.191 14.780 5.305 44 HG3 GLU 5 1HG GLU 5 -8.134 14.748 7.076 45 H ASP 6 H ASP 6 -7.439 9.814 6.155 46 HA ASP 6 HA ASP 6 -10.041 8.783 5.647 47 HB2 ASP 6 2HB ASP 6 -8.171 8.676 4.049 48 HB3 ASP 6 1HB ASP 6 -7.394 7.497 5.100 49 HA PRO 7 HA PRO 7 -10.310 6.035 9.192 50 HB2 PRO 7 2HB PRO 7 -12.443 4.683 7.707 51 HB3 PRO 7 1HB PRO 7 -12.524 5.564 9.234 52 HG2 PRO 7 2HG PRO 7 -13.610 6.530 6.976 53 HG3 PRO 7 1HG PRO 7 -12.891 7.579 8.208 54 HD2 PRO 7 2HD PRO 7 -11.749 6.676 5.598 55 HD3 PRO 7 1HD PRO 7 -11.705 8.271 6.391 56 H GLU 8 H GLU 8 -10.124 4.822 5.853 57 HA GLU 8 HA GLU 8 -9.756 2.103 6.701 58 HB2 GLU 8 2HB GLU 8 -9.252 3.371 3.995 59 HB3 GLU 8 1HB GLU 8 -9.319 1.645 4.321 60 HG2 GLU 8 2HG GLU 8 -11.602 3.594 4.598 61 HG3 GLU 8 1HG GLU 8 -11.374 2.447 3.285 62 H PHE 9 H PHE 9 -7.809 4.755 5.615 63 HA PHE 9 HA PHE 9 -5.306 3.485 5.651 64 HB2 PHE 9 2HB PHE 9 -5.763 5.712 4.629 65 HB3 PHE 9 1HB PHE 9 -5.890 6.389 6.249 66 HD1 PHE 9 2HD PHE 9 -3.593 4.791 3.854 67 HD2 PHE 9 1HD PHE 9 -3.963 7.004 7.463 68 HE1 PHE 9 2HE PHE 9 -1.167 5.203 3.851 69 HE2 PHE 9 1HE PHE 9 -1.542 7.404 7.464 70 HZ PHE 9 HZ PHE 9 -0.147 6.512 5.656 71 H VAL 10 H VAL 10 -7.114 5.057 8.218 72 HA VAL 10 HA VAL 10 -5.029 4.773 10.096 73 HB VAL 10 HB VAL 10 -6.996 6.401 10.370 74 HG11 VAL 10 1HG1 VAL 10 -8.906 5.705 11.688 75 HG12 VAL 10 2HG1 VAL 10 -8.357 4.032 11.596 76 HG13 VAL 10 3HG1 VAL 10 -8.843 4.878 10.129 77 HG21 VAL 10 3HG2 VAL 10 -6.098 4.790 12.747 78 HG22 VAL 10 1HG2 VAL 10 -6.861 6.383 12.827 79 HG23 VAL 10 2HG2 VAL 10 -5.293 6.193 12.039 80 H LYS 11 H LYS 11 -7.650 2.635 9.149 81 HA LYS 11 HA LYS 11 -7.305 0.639 11.054 82 HB2 LYS 11 2HB LYS 11 -7.981 0.457 8.123 83 HB3 LYS 11 1HB LYS 11 -8.039 -0.919 9.212 84 HG2 LYS 11 2HG LYS 11 -9.558 1.601 9.665 85 HG3 LYS 11 1HG LYS 11 -10.230 0.234 8.766 86 HD2 LYS 11 2HD LYS 11 -9.847 -1.179 10.780 87 HD3 LYS 11 1HD LYS 11 -9.263 0.247 11.634 88 HE2 LYS 11 2HE LYS 11 -11.427 1.313 11.367 89 HE3 LYS 11 1HE LYS 11 -12.004 -0.080 10.453 90 HZ1 LYS 11 3HZ LYS 11 -11.718 -1.447 12.403 91 HZ2 LYS 11 1HZ LYS 11 -12.705 -0.132 12.780 92 HZ3 LYS 11 2HZ LYS 11 -11.095 -0.146 13.269 93 H LEU 12 H LEU 12 -5.597 1.259 8.033 94 HA LEU 12 HA LEU 12 -3.811 -0.898 8.073 95 HB2 LEU 12 2HB LEU 12 -3.405 1.878 6.956 96 HB3 LEU 12 1HB LEU 12 -2.359 0.512 6.641 97 HG LEU 12 HG LEU 12 -5.266 0.641 5.842 98 HD11 LEU 12 1HD1 LEU 12 -4.404 0.969 3.594 99 HD12 LEU 12 2HD1 LEU 12 -2.759 1.048 4.225 100 HD13 LEU 12 3HD1 LEU 12 -3.926 2.304 4.644 101 HD21 LEU 12 3HD2 LEU 12 -4.689 -1.281 4.466 102 HD22 LEU 12 1HD2 LEU 12 -4.401 -1.624 6.171 103 HD23 LEU 12 2HD2 LEU 12 -3.046 -1.256 5.102 104 H ARG 13 H ARG 13 -3.615 2.267 9.572 105 HA ARG 13 HA ARG 13 -0.943 2.189 10.510 106 HB2 ARG 13 2HB ARG 13 -3.269 3.461 11.974 107 HB3 ARG 13 1HB ARG 13 -1.575 3.908 12.093 108 HG2 ARG 13 2HG ARG 13 -3.235 4.190 9.600 109 HG3 ARG 13 1HG ARG 13 -2.974 5.492 10.766 110 HD2 ARG 13 2HD ARG 13 -0.795 4.051 9.275 111 HD3 ARG 13 1HD ARG 13 -1.551 5.528 8.706 112 HE ARG 13 HE ARG 13 -0.592 5.835 11.337 113 HH11 ARG 13 1HH1 ARG 13 0.629 5.541 8.017 114 HH12 ARG 13 2HH1 ARG 13 1.889 6.659 8.243 115 HH21 ARG 13 1HH2 ARG 13 1.140 7.268 11.657 116 HH22 ARG 13 2HH2 ARG 13 2.241 7.655 10.412 117 H GLN 14 H GLN 14 -3.939 1.060 11.919 118 HA GLN 14 HA GLN 14 -2.795 0.086 14.348 119 HB2 GLN 14 2HB GLN 14 -5.443 -0.517 13.024 120 HB3 GLN 14 1HB GLN 14 -4.999 -1.002 14.652 121 HG2 GLN 14 2HG GLN 14 -4.874 1.291 15.360 122 HG3 GLN 14 1HG GLN 14 -5.127 1.850 13.706 123 HE21 GLN 14 1HE2 GLN 14 -7.156 1.751 12.824 124 HE22 GLN 14 2HE2 GLN 14 -8.574 1.481 13.782 125 H PHE 15 H PHE 15 -3.660 -1.361 11.268 126 HA PHE 15 HA PHE 15 -3.139 -4.074 11.851 127 HB2 PHE 15 2HB PHE 15 -4.344 -3.256 9.831 128 HB3 PHE 15 1HB PHE 15 -2.846 -2.560 9.240 129 HD1 PHE 15 2HD PHE 15 -4.717 -5.654 9.810 130 HD2 PHE 15 1HD PHE 15 -1.150 -3.958 8.217 131 HE1 PHE 15 2HE PHE 15 -4.249 -7.755 8.623 132 HE2 PHE 15 1HE PHE 15 -0.680 -6.053 7.025 133 HZ PHE 15 HZ PHE 15 -2.228 -7.958 7.228 134 H LYS 16 H LYS 16 -1.136 -1.473 10.631 135 HA LYS 16 HA LYS 16 0.995 -1.012 10.663 136 HB2 LYS 16 2HB LYS 16 1.158 -1.644 12.976 137 HB3 LYS 16 1HB LYS 16 1.212 -3.344 12.570 138 HG2 LYS 16 2HG LYS 16 3.393 -2.508 13.283 139 HG3 LYS 16 1HG LYS 16 3.423 -3.093 11.630 140 HD2 LYS 16 2HD LYS 16 4.735 -1.082 11.762 141 HD3 LYS 16 1HD LYS 16 3.282 -0.736 10.846 142 HE2 LYS 16 2HE LYS 16 3.450 -0.135 13.788 143 HE3 LYS 16 1HE LYS 16 4.113 0.966 12.589 144 HZ1 LYS 16 3HZ LYS 16 1.883 1.168 11.624 145 HZ2 LYS 16 1HZ LYS 16 1.928 1.620 13.228 146 HZ3 LYS 16 2HZ LYS 16 1.237 0.167 12.847 147 H GLY 17 H GLY 17 1.527 -4.535 10.712 148 HA2 GLY 17 2HA GLY 17 1.871 -4.677 7.924 149 HA3 GLY 17 1HA GLY 17 3.413 -4.343 8.686 150 H LYS 18 H LYS 18 0.975 -6.659 8.137 151 HA LYS 18 HA LYS 18 2.490 -8.696 9.594 152 HB2 LYS 18 2HB LYS 18 -0.334 -8.687 8.494 153 HB3 LYS 18 1HB LYS 18 0.416 -10.093 9.240 154 HG2 LYS 18 2HG LYS 18 0.605 -8.994 11.330 155 HG3 LYS 18 1HG LYS 18 0.145 -7.452 10.623 156 HD2 LYS 18 2HD LYS 18 -1.708 -8.425 11.908 157 HD3 LYS 18 1HD LYS 18 -2.117 -8.340 10.200 158 HE2 LYS 18 2HE LYS 18 -1.676 -10.710 9.937 159 HE3 LYS 18 1HE LYS 18 -1.086 -10.817 11.596 160 HZ1 LYS 18 3HZ LYS 18 -3.888 -10.166 10.799 161 HZ2 LYS 18 1HZ LYS 18 -3.291 -10.243 12.373 162 HZ3 LYS 18 2HZ LYS 18 -3.346 -11.625 11.423 163 H VAL 19 H VAL 19 3.246 -7.458 7.156 164 HA VAL 19 HA VAL 19 3.172 -9.605 5.148 165 HB VAL 19 HB VAL 19 3.200 -7.728 3.425 166 HG11 VAL 19 1HG1 VAL 19 1.165 -9.014 3.855 167 HG12 VAL 19 2HG1 VAL 19 0.793 -7.325 3.499 168 HG13 VAL 19 3HG1 VAL 19 0.749 -7.910 5.164 169 HG21 VAL 19 3HG2 VAL 19 2.279 -5.554 4.151 170 HG22 VAL 19 1HG2 VAL 19 3.858 -5.903 4.858 171 HG23 VAL 19 2HG2 VAL 19 2.395 -6.092 5.826 172 H ASN 20 H ASN 20 4.979 -9.311 3.570 173 HA ASN 20 HA ASN 20 7.490 -8.689 4.839 174 HB2 ASN 20 2HB ASN 20 7.144 -10.421 2.922 175 HB3 ASN 20 1HB ASN 20 6.974 -8.974 1.911 176 HD21 ASN 20 1HD2 ASN 20 8.910 -11.072 1.698 177 HD22 ASN 20 2HD2 ASN 20 10.453 -10.313 1.782 178 H PHE 21 H PHE 21 8.217 -6.697 5.014 179 HA PHE 21 HA PHE 21 7.113 -4.355 4.010 180 HB2 PHE 21 2HB PHE 21 8.630 -4.190 5.835 181 HB3 PHE 21 1HB PHE 21 9.918 -4.977 4.936 182 HD1 PHE 21 1HD PHE 21 7.853 -1.889 4.976 183 HD2 PHE 21 2HD PHE 21 11.488 -3.725 3.753 184 HE1 PHE 21 1HE PHE 21 8.698 0.292 4.206 185 HE2 PHE 21 2HE PHE 21 12.339 -1.554 2.983 186 HZ PHE 21 HZ PHE 21 10.942 0.454 3.203 187 H ASN 22 H ASN 22 9.474 -6.467 2.611 188 HA ASN 22 HA ASN 22 10.407 -4.530 0.686 189 HB2 ASN 22 2HB ASN 22 10.951 -7.500 0.873 190 HB3 ASN 22 1HB ASN 22 11.726 -6.410 -0.271 191 HD21 ASN 22 1HD2 ASN 22 11.565 -7.489 3.001 192 HD22 ASN 22 2HD2 ASN 22 12.967 -6.662 3.567 193 H LEU 23 H LEU 23 8.143 -7.112 0.840 194 HA LEU 23 HA LEU 23 7.885 -7.242 -1.982 195 HB2 LEU 23 2HB LEU 23 7.519 -9.209 -0.513 196 HB3 LEU 23 1HB LEU 23 6.083 -8.425 0.115 197 HG LEU 23 HG LEU 23 4.987 -8.585 -2.040 198 HD11 LEU 23 1HD1 LEU 23 6.060 -9.760 -3.904 199 HD12 LEU 23 2HD1 LEU 23 7.565 -9.850 -2.987 200 HD13 LEU 23 3HD1 LEU 23 6.927 -8.286 -3.491 201 HD21 LEU 23 3HD2 LEU 23 6.311 -11.175 -1.278 202 HD22 LEU 23 1HD2 LEU 23 4.813 -10.996 -2.189 203 HD23 LEU 23 2HD2 LEU 23 4.888 -10.486 -0.498 204 H VAL 24 H VAL 24 6.148 -5.690 0.670 205 HA VAL 24 HA VAL 24 3.986 -4.723 -0.906 206 HB VAL 24 HB VAL 24 5.216 -3.371 1.514 207 HG11 VAL 24 1HG1 VAL 24 3.004 -2.335 1.805 208 HG12 VAL 24 2HG1 VAL 24 2.465 -3.084 0.300 209 HG13 VAL 24 3HG1 VAL 24 3.754 -1.880 0.274 210 HG21 VAL 24 3HG2 VAL 24 3.542 -4.496 2.831 211 HG22 VAL 24 1HG2 VAL 24 4.551 -5.670 1.993 212 HG23 VAL 24 2HG2 VAL 24 2.923 -5.313 1.400 213 H MET 25 H MET 25 7.136 -3.435 -0.064 214 HA MET 25 HA MET 25 6.966 -0.975 -1.365 215 HB2 MET 25 2HB MET 25 8.780 -1.617 0.204 216 HB3 MET 25 1HB MET 25 9.383 -2.749 -0.990 217 HG2 MET 25 2HG MET 25 9.942 -0.923 -2.486 218 HG3 MET 25 1HG MET 25 9.250 0.240 -1.357 219 HE1 MET 25 3HE MET 25 11.414 -2.958 -0.473 220 HE2 MET 25 1HE MET 25 13.039 -2.278 -0.485 221 HE3 MET 25 2HE MET 25 12.110 -2.374 -1.982 222 H GLN 26 H GLN 26 7.901 -4.150 -2.529 223 HA GLN 26 HA GLN 26 8.458 -3.313 -5.164 224 HB2 GLN 26 2HB GLN 26 9.347 -5.417 -4.284 225 HB3 GLN 26 1HB GLN 26 7.713 -6.059 -4.146 226 HG2 GLN 26 2HG GLN 26 7.435 -5.956 -6.541 227 HG3 GLN 26 1HG GLN 26 9.021 -5.219 -6.708 228 HE21 GLN 26 1HE2 GLN 26 9.713 -6.785 -8.033 229 HE22 GLN 26 2HE2 GLN 26 10.084 -8.387 -7.557 230 H ILE 27 H ILE 27 5.503 -4.574 -3.645 231 HA ILE 27 HA ILE 27 3.852 -4.774 -5.905 232 HB ILE 27 HB ILE 27 3.073 -3.854 -3.112 233 HG12 ILE 27 2HG1 ILE 27 4.044 -6.105 -3.103 234 HG13 ILE 27 1HG1 ILE 27 2.336 -6.163 -2.708 235 HG21 ILE 27 1HG2 ILE 27 1.268 -4.827 -5.316 236 HG22 ILE 27 2HG2 ILE 27 1.356 -3.190 -4.671 237 HG23 ILE 27 3HG2 ILE 27 0.768 -4.505 -3.654 238 HD11 ILE 27 3HD1 ILE 27 3.585 -6.865 -5.354 239 HD12 ILE 27 1HD1 ILE 27 1.858 -6.894 -4.996 240 HD13 ILE 27 2HD1 ILE 27 2.953 -7.986 -4.150 241 H LEU 28 H LEU 28 4.373 -2.051 -3.737 242 HA LEU 28 HA LEU 28 2.753 -0.163 -5.040 243 HB2 LEU 28 2HB LEU 28 5.199 0.256 -3.338 244 HB3 LEU 28 1HB LEU 28 4.009 1.479 -3.732 245 HG LEU 28 HG LEU 28 3.464 -1.004 -2.100 246 HD11 LEU 28 1HD1 LEU 28 4.942 0.515 -0.961 247 HD12 LEU 28 2HD1 LEU 28 3.347 0.519 -0.208 248 HD13 LEU 28 3HD1 LEU 28 3.837 1.854 -1.258 249 HD21 LEU 28 3HD2 LEU 28 1.353 0.112 -1.544 250 HD22 LEU 28 1HD2 LEU 28 1.475 -0.201 -3.278 251 HD23 LEU 28 2HD2 LEU 28 1.763 1.423 -2.650 252 H ASP 29 H ASP 29 6.112 -1.024 -5.368 253 HA ASP 29 HA ASP 29 7.015 1.013 -7.149 254 HB2 ASP 29 2HB ASP 29 8.406 -0.572 -5.772 255 HB3 ASP 29 1HB ASP 29 7.905 -1.842 -6.852 256 H GLU 30 H GLU 30 5.909 -2.244 -7.619 257 HA GLU 30 HA GLU 30 6.266 -2.374 -10.399 258 HB2 GLU 30 2HB GLU 30 5.964 -4.221 -8.601 259 HB3 GLU 30 1HB GLU 30 4.255 -4.019 -8.918 260 HG2 GLU 30 2HG GLU 30 4.541 -4.702 -11.211 261 HG3 GLU 30 1HG GLU 30 6.292 -4.698 -11.014 262 H ILE 31 H ILE 31 3.366 -1.594 -8.455 263 HA ILE 31 HA ILE 31 1.733 -1.203 -10.802 264 HB ILE 31 HB ILE 31 0.066 -0.141 -9.353 265 HG12 ILE 31 2HG1 ILE 31 2.097 -0.353 -7.114 266 HG13 ILE 31 1HG1 ILE 31 1.610 1.139 -7.916 267 HG21 ILE 31 1HG2 ILE 31 1.268 -2.588 -8.098 268 HG22 ILE 31 2HG2 ILE 31 0.042 -2.540 -9.372 269 HG23 ILE 31 3HG2 ILE 31 -0.337 -1.967 -7.747 270 HD11 ILE 31 3HD1 ILE 31 -0.158 -0.652 -6.279 271 HD12 ILE 31 1HD1 ILE 31 -0.653 0.844 -7.070 272 HD13 ILE 31 2HD1 ILE 31 0.532 0.888 -5.762 273 H GLU 32 H GLU 32 3.799 0.838 -8.826 274 HA GLU 32 HA GLU 32 3.009 3.353 -9.762 275 HB2 GLU 32 2HB GLU 32 4.437 3.038 -7.780 276 HB3 GLU 32 1HB GLU 32 5.728 2.432 -8.799 277 HG2 GLU 32 2HG GLU 32 5.955 4.543 -9.850 278 HG3 GLU 32 1HG GLU 32 4.620 5.240 -8.909 279 H LEU 33 H LEU 33 5.703 1.297 -10.805 280 HA LEU 33 HA LEU 33 6.484 2.990 -12.889 281 HB2 LEU 33 2HB LEU 33 7.882 1.158 -13.697 282 HB3 LEU 33 1HB LEU 33 8.033 1.382 -11.976 283 HG LEU 33 HG LEU 33 6.377 -0.629 -11.816 284 HD11 LEU 33 1HD1 LEU 33 7.453 -1.074 -14.595 285 HD12 LEU 33 2HD1 LEU 33 5.767 -0.783 -14.160 286 HD13 LEU 33 3HD1 LEU 33 6.575 -2.255 -13.623 287 HD21 LEU 33 3HD2 LEU 33 8.256 -2.192 -11.919 288 HD22 LEU 33 1HD2 LEU 33 8.643 -0.706 -11.050 289 HD23 LEU 33 2HD2 LEU 33 9.225 -0.941 -12.698 290 H ASP 34 H ASP 34 4.124 0.434 -12.808 291 HA ASP 34 HA ASP 34 3.850 0.317 -15.654 292 HB2 ASP 34 2HB ASP 34 3.269 -1.632 -14.258 293 HB3 ASP 34 1HB ASP 34 1.943 -0.716 -13.547 294 H LEU 35 H LEU 35 1.919 1.713 -13.041 295 HA LEU 35 HA LEU 35 -0.171 2.750 -14.514 296 HB2 LEU 35 2HB LEU 35 -0.268 2.672 -12.137 297 HB3 LEU 35 1HB LEU 35 1.110 3.737 -11.983 298 HG LEU 35 HG LEU 35 -0.231 5.594 -12.891 299 HD11 LEU 35 1HD1 LEU 35 -1.796 4.384 -14.269 300 HD12 LEU 35 2HD1 LEU 35 -2.669 5.352 -13.082 301 HD13 LEU 35 3HD1 LEU 35 -2.500 3.612 -12.852 302 HD21 LEU 35 3HD2 LEU 35 -1.437 4.174 -10.531 303 HD22 LEU 35 1HD2 LEU 35 -1.665 5.877 -10.928 304 HD23 LEU 35 2HD2 LEU 35 -0.061 5.277 -10.504 305 H ARG 36 H ARG 36 3.023 4.075 -14.009 306 HA ARG 36 HA ARG 36 2.428 6.652 -14.969 307 HB2 ARG 36 2HB ARG 36 5.103 5.248 -14.879 308 HB3 ARG 36 1HB ARG 36 4.877 6.970 -15.160 309 HG2 ARG 36 2HG ARG 36 3.852 7.196 -12.956 310 HG3 ARG 36 1HG ARG 36 4.087 5.475 -12.675 311 HD2 ARG 36 2HD ARG 36 5.851 6.611 -11.561 312 HD3 ARG 36 1HD ARG 36 6.552 5.870 -12.996 313 HE ARG 36 HE ARG 36 5.943 8.324 -13.864 314 HH11 ARG 36 1HH1 ARG 36 7.786 7.190 -11.050 315 HH12 ARG 36 2HH1 ARG 36 8.661 8.629 -10.874 316 HH21 ARG 36 1HH2 ARG 36 7.179 10.308 -13.620 317 HH22 ARG 36 2HH2 ARG 36 8.301 10.431 -12.345 318 H GLY 37 H GLY 37 2.649 3.729 -16.619 319 HA2 GLY 37 2HA GLY 37 2.674 5.180 -19.171 320 HA3 GLY 37 1HA GLY 37 3.574 3.679 -18.981 321 H SER 38 H SER 38 0.562 4.083 -17.322 322 HA SER 38 HA SER 38 -0.783 2.386 -19.290 323 HB2 SER 38 2HB SER 38 0.060 1.072 -17.262 324 HB3 SER 38 1HB SER 38 -1.014 2.054 -16.278 325 HG SER 38 HG SER 38 -1.612 -0.142 -17.329 326 H ASP 39 H ASP 39 -3.240 2.431 -18.685 327 HA ASP 39 HA ASP 39 -3.877 5.264 -18.327 328 HB2 ASP 39 2HB ASP 39 -4.837 4.303 -20.317 329 HB3 ASP 39 1HB ASP 39 -5.578 3.008 -19.383 330 H ASN 40 H ASN 40 -4.657 2.146 -16.885 331 HA ASN 40 HA ASN 40 -6.231 3.624 -14.907 332 HB2 ASN 40 2HB ASN 40 -7.065 1.630 -16.710 333 HB3 ASN 40 1HB ASN 40 -7.086 0.909 -15.106 334 HD21 ASN 40 1HD2 ASN 40 -8.410 3.407 -17.162 335 HD22 ASN 40 2HD2 ASN 40 -9.762 3.746 -16.151 336 H ILE 41 H ILE 41 -5.588 3.365 -12.872 337 HA ILE 41 HA ILE 41 -3.320 1.755 -12.308 338 HB ILE 41 HB ILE 41 -3.594 3.830 -11.067 339 HG12 ILE 41 2HG1 ILE 41 -3.809 1.431 -9.217 340 HG13 ILE 41 1HG1 ILE 41 -2.326 2.040 -9.935 341 HG21 ILE 41 1HG2 ILE 41 -5.314 4.069 -9.335 342 HG22 ILE 41 2HG2 ILE 41 -6.104 2.617 -9.968 343 HG23 ILE 41 3HG2 ILE 41 -5.931 4.052 -10.976 344 HD11 ILE 41 3HD1 ILE 41 -2.499 2.678 -7.611 345 HD12 ILE 41 1HD1 ILE 41 -4.049 3.456 -7.915 346 HD13 ILE 41 2HD1 ILE 41 -2.580 4.115 -8.635 347 H LYS 42 H LYS 42 -6.764 1.254 -11.862 348 HA LYS 42 HA LYS 42 -6.494 -0.970 -10.150 349 HB2 LYS 42 2HB LYS 42 -8.736 -1.685 -10.841 350 HB3 LYS 42 1HB LYS 42 -8.681 0.012 -10.399 351 HG2 LYS 42 2HG LYS 42 -8.863 0.676 -12.678 352 HG3 LYS 42 1HG LYS 42 -8.608 -0.983 -13.232 353 HD2 LYS 42 2HD LYS 42 -10.682 -1.675 -12.168 354 HD3 LYS 42 1HD LYS 42 -10.934 -0.038 -11.566 355 HE2 LYS 42 2HE LYS 42 -10.603 -0.647 -14.455 356 HE3 LYS 42 1HE LYS 42 -12.186 -0.751 -13.677 357 HZ1 LYS 42 3HZ LYS 42 -10.457 1.677 -13.932 358 HZ2 LYS 42 1HZ LYS 42 -11.896 1.624 -13.045 359 HZ3 LYS 42 2HZ LYS 42 -11.927 1.384 -14.697 360 H THR 43 H THR 43 -6.224 -0.666 -13.586 361 HA THR 43 HA THR 43 -6.170 -3.395 -14.197 362 HB THR 43 HB THR 43 -4.839 -1.117 -15.678 363 HG1 THR 43 1HG THR 43 -7.015 -1.134 -16.750 364 HG21 THR 43 3HG2 THR 43 -6.121 -3.692 -16.602 365 HG22 THR 43 1HG2 THR 43 -4.388 -3.384 -16.526 366 HG23 THR 43 2HG2 THR 43 -5.397 -2.471 -17.650 367 H SER 44 H SER 44 -3.633 -0.947 -13.496 368 HA SER 44 HA SER 44 -1.418 -2.574 -13.752 369 HB2 SER 44 2HB SER 44 -1.829 -0.232 -11.876 370 HB3 SER 44 1HB SER 44 -0.273 -0.872 -12.418 371 HG SER 44 HG SER 44 -0.777 -0.289 -14.512 372 H ILE 45 H ILE 45 -3.580 -2.015 -11.030 373 HA ILE 45 HA ILE 45 -2.324 -3.427 -8.980 374 HB ILE 45 HB ILE 45 -5.283 -3.158 -9.596 375 HG12 ILE 45 2HG1 ILE 45 -4.190 -1.011 -9.136 376 HG13 ILE 45 1HG1 ILE 45 -5.330 -1.424 -7.868 377 HG21 ILE 45 1HG2 ILE 45 -4.051 -4.164 -7.046 378 HG22 ILE 45 2HG2 ILE 45 -5.038 -5.079 -8.183 379 HG23 ILE 45 3HG2 ILE 45 -5.751 -3.749 -7.264 380 HD11 ILE 45 3HD1 ILE 45 -2.333 -1.672 -7.731 381 HD12 ILE 45 1HD1 ILE 45 -3.455 -2.136 -6.448 382 HD13 ILE 45 2HD1 ILE 45 -3.328 -0.450 -6.940 383 H ILE 46 H ILE 46 -4.583 -4.588 -11.445 384 HA ILE 46 HA ILE 46 -4.924 -7.203 -10.644 385 HB ILE 46 HB ILE 46 -4.845 -6.176 -13.496 386 HG12 ILE 46 2HG1 ILE 46 -7.195 -6.574 -11.628 387 HG13 ILE 46 1HG1 ILE 46 -6.467 -5.020 -12.014 388 HG21 ILE 46 1HG2 ILE 46 -6.250 -8.131 -14.038 389 HG22 ILE 46 2HG2 ILE 46 -6.067 -8.711 -12.384 390 HG23 ILE 46 3HG2 ILE 46 -4.659 -8.609 -13.443 391 HD11 ILE 46 3HD1 ILE 46 -8.502 -5.367 -13.283 392 HD12 ILE 46 1HD1 ILE 46 -7.844 -6.863 -13.949 393 HD13 ILE 46 2HD1 ILE 46 -7.105 -5.317 -14.359 394 H TYR 47 H TYR 47 -2.387 -5.937 -12.799 395 HA TYR 47 HA TYR 47 -1.267 -8.423 -13.518 396 HB2 TYR 47 2HB TYR 47 0.350 -5.909 -13.167 397 HB3 TYR 47 1HB TYR 47 0.696 -7.270 -14.214 398 HD1 TYR 47 2HD TYR 47 -1.445 -7.687 -15.927 399 HD2 TYR 47 1HD TYR 47 -0.198 -4.046 -14.181 400 HE1 TYR 47 2HE TYR 47 -2.507 -6.458 -17.769 401 HE2 TYR 47 1HE TYR 47 -1.227 -2.784 -15.961 402 HH TYR 47 HH TYR 47 -1.931 -3.133 -18.283 403 H VAL 48 H VAL 48 -0.335 -6.098 -11.077 404 HA VAL 48 HA VAL 48 1.921 -7.472 -10.126 405 HB VAL 48 HB VAL 48 0.281 -5.318 -8.787 406 HG11 VAL 48 1HG1 VAL 48 3.134 -6.167 -8.303 407 HG12 VAL 48 2HG1 VAL 48 1.777 -6.442 -7.214 408 HG13 VAL 48 3HG1 VAL 48 2.319 -4.795 -7.551 409 HG21 VAL 48 3HG2 VAL 48 1.983 -3.799 -9.752 410 HG22 VAL 48 1HG2 VAL 48 1.011 -4.627 -10.972 411 HG23 VAL 48 2HG2 VAL 48 2.646 -5.177 -10.632 412 H TYR 49 H TYR 49 -1.393 -7.250 -8.931 413 HA TYR 49 HA TYR 49 -0.906 -8.764 -6.623 414 HB2 TYR 49 2HB TYR 49 -3.439 -7.988 -8.047 415 HB3 TYR 49 1HB TYR 49 -3.478 -9.038 -6.638 416 HD1 TYR 49 2HD TYR 49 -1.225 -6.109 -7.156 417 HD2 TYR 49 1HD TYR 49 -4.584 -7.664 -5.079 418 HE1 TYR 49 2HE TYR 49 -1.198 -4.148 -5.679 419 HE2 TYR 49 1HE TYR 49 -4.572 -5.697 -3.588 420 HH TYR 49 HH TYR 49 -2.740 -2.913 -4.236 421 H SER 50 H SER 50 -1.831 -9.656 -9.874 422 HA SER 50 HA SER 50 -2.316 -12.380 -9.159 423 HB2 SER 50 2HB SER 50 -1.870 -11.137 -11.877 424 HB3 SER 50 1HB SER 50 -2.514 -12.756 -11.575 425 HG SER 50 HG SER 50 -3.662 -10.248 -11.179 426 H SER 51 H SER 51 0.452 -10.533 -9.940 427 HA SER 51 HA SER 51 2.126 -12.730 -10.654 428 HB2 SER 51 2HB SER 51 2.589 -10.432 -11.442 429 HB3 SER 51 1HB SER 51 2.794 -9.899 -9.780 430 HG SER 51 HG SER 51 4.382 -11.967 -10.874 431 H HIS 52 H HIS 52 1.621 -10.744 -7.762 432 HA HIS 52 HA HIS 52 3.358 -12.591 -6.264 433 HB2 HIS 52 2HB HIS 52 2.442 -9.804 -5.501 434 HB3 HIS 52 1HB HIS 52 3.596 -10.786 -4.613 435 HD1 HIS 52 1HD HIS 52 6.031 -10.997 -5.673 436 HD2 HIS 52 2HD HIS 52 3.444 -8.454 -7.706 437 HE1 HIS 52 1HE HIS 52 7.476 -9.623 -7.208 438 HE2 HIS 52 2HE HIS 52 5.879 -8.030 -8.367 439 H LEU 53 H LEU 53 0.949 -13.569 -6.850 440 HA LEU 53 HA LEU 53 -1.359 -13.047 -5.481 441 HB2 LEU 53 2HB LEU 53 -0.227 -15.707 -6.241 442 HB3 LEU 53 1HB LEU 53 -1.815 -15.496 -5.532 443 HG LEU 53 HG LEU 53 -0.961 -14.235 -8.128 444 HD11 LEU 53 1HD1 LEU 53 -2.584 -16.741 -7.628 445 HD12 LEU 53 2HD1 LEU 53 -0.948 -16.689 -8.284 446 HD13 LEU 53 3HD1 LEU 53 -2.287 -15.998 -9.201 447 HD21 LEU 53 3HD2 LEU 53 -3.405 -13.990 -8.422 448 HD22 LEU 53 1HD2 LEU 53 -2.791 -13.079 -7.039 449 HD23 LEU 53 2HD2 LEU 53 -3.632 -14.607 -6.789 450 H ASP 54 H ASP 54 1.302 -14.984 -4.286 451 HA ASP 54 HA ASP 54 0.038 -16.173 -2.102 452 HB2 ASP 54 2HB ASP 54 2.141 -17.027 -2.680 453 HB3 ASP 54 1HB ASP 54 2.904 -15.448 -2.598 454 H GLU 55 H GLU 55 1.859 -13.090 -1.994 455 HA GLU 55 HA GLU 55 1.183 -12.829 0.779 456 HB2 GLU 55 2HB GLU 55 3.235 -11.842 -0.357 457 HB3 GLU 55 1HB GLU 55 2.163 -10.582 -0.957 458 HG2 GLU 55 2HG GLU 55 3.346 -9.874 1.072 459 HG3 GLU 55 1HG GLU 55 1.601 -9.946 1.320 460 H ILE 56 H ILE 56 -0.138 -11.720 -2.209 461 HA ILE 56 HA ILE 56 -1.981 -9.799 -1.254 462 HB ILE 56 HB ILE 56 -2.357 -11.694 -3.598 463 HG12 ILE 56 2HG1 ILE 56 -0.261 -10.544 -4.018 464 HG13 ILE 56 1HG1 ILE 56 -1.523 -9.850 -5.023 465 HG21 ILE 56 1HG2 ILE 56 -3.610 -9.014 -3.078 466 HG22 ILE 56 2HG2 ILE 56 -4.390 -10.594 -2.990 467 HG23 ILE 56 3HG2 ILE 56 -3.818 -9.981 -4.543 468 HD11 ILE 56 3HD1 ILE 56 -0.046 -8.154 -4.132 469 HD12 ILE 56 1HD1 ILE 56 -0.472 -8.639 -2.491 470 HD13 ILE 56 2HD1 ILE 56 -1.699 -7.950 -3.551 471 H ARG 57 H ARG 57 -2.006 -13.235 -1.566 472 HA ARG 57 HA ARG 57 -4.721 -13.655 -0.833 473 HB2 ARG 57 2HB ARG 57 -3.253 -15.071 -2.312 474 HB3 ARG 57 1HB ARG 57 -2.455 -15.622 -0.850 475 HG2 ARG 57 2HG ARG 57 -4.404 -16.610 -0.065 476 HG3 ARG 57 1HG ARG 57 -5.386 -15.902 -1.366 477 HD2 ARG 57 2HD ARG 57 -3.763 -17.141 -2.936 478 HD3 ARG 57 1HD ARG 57 -3.328 -18.077 -1.502 479 HE ARG 57 HE ARG 57 -5.817 -18.436 -1.340 480 HH11 ARG 57 1HH1 ARG 57 -3.949 -18.367 -4.353 481 HH12 ARG 57 2HH1 ARG 57 -5.131 -19.129 -5.301 482 HH21 ARG 57 1HH2 ARG 57 -7.467 -19.528 -2.656 483 HH22 ARG 57 2HH2 ARG 57 -7.181 -19.790 -4.311 484 H LYS 58 H LYS 58 -1.611 -13.977 0.805 485 HA LYS 58 HA LYS 58 -2.491 -15.008 3.270 486 HB2 LYS 58 2HB LYS 58 -0.148 -13.229 2.627 487 HB3 LYS 58 1HB LYS 58 -0.412 -13.989 4.187 488 HG2 LYS 58 2HG LYS 58 -0.068 -16.135 3.313 489 HG3 LYS 58 1HG LYS 58 -0.202 -15.560 1.646 490 HD2 LYS 58 2HD LYS 58 2.124 -15.961 2.174 491 HD3 LYS 58 1HD LYS 58 1.858 -14.246 1.958 492 HE2 LYS 58 2HE LYS 58 1.661 -14.056 4.450 493 HE3 LYS 58 1HE LYS 58 2.200 -15.729 4.545 494 HZ1 LYS 58 3HZ LYS 58 3.681 -13.517 3.261 495 HZ2 LYS 58 1HZ LYS 58 4.259 -15.105 3.420 496 HZ3 LYS 58 2HZ LYS 58 4.007 -14.102 4.783 497 H ASN 59 H ASN 59 -2.000 -11.685 2.190 498 HA ASN 59 HA ASN 59 -3.543 -10.871 4.520 499 HB2 ASN 59 2HB ASN 59 -1.100 -9.542 3.383 500 HB3 ASN 59 1HB ASN 59 -2.229 -8.702 4.441 501 HD21 ASN 59 1HD2 ASN 59 0.246 -11.177 4.248 502 HD22 ASN 59 2HD2 ASN 59 0.380 -11.393 5.940 503 H LYS 60 H LYS 60 -5.092 -11.358 2.731 504 HA LYS 60 HA LYS 60 -5.328 -9.447 0.687 505 HB2 LYS 60 2HB LYS 60 -7.602 -10.368 0.257 506 HB3 LYS 60 1HB LYS 60 -6.321 -11.555 0.234 507 HG2 LYS 60 2HG LYS 60 -8.144 -12.582 1.286 508 HG3 LYS 60 1HG LYS 60 -6.997 -12.127 2.559 509 HD2 LYS 60 2HD LYS 60 -9.371 -11.728 3.181 510 HD3 LYS 60 1HD LYS 60 -8.378 -10.276 3.223 511 HE2 LYS 60 2HE LYS 60 -9.281 -9.576 1.072 512 HE3 LYS 60 1HE LYS 60 -10.227 -11.061 0.959 513 HZ1 LYS 60 3HZ LYS 60 -11.369 -8.960 1.773 514 HZ2 LYS 60 1HZ LYS 60 -10.532 -9.159 3.207 515 HZ3 LYS 60 2HZ LYS 60 -11.631 -10.337 2.694 516 H GLU 61 H GLU 61 -6.300 -9.426 3.948 517 HA GLU 61 HA GLU 61 -8.226 -7.400 3.873 518 HB2 GLU 61 2HB GLU 61 -6.139 -8.071 5.940 519 HB3 GLU 61 1HB GLU 61 -7.461 -6.943 6.180 520 HG2 GLU 61 2HG GLU 61 -7.772 -9.861 5.551 521 HG3 GLU 61 1HG GLU 61 -7.914 -9.140 7.158 522 H PHE 62 H PHE 62 -4.724 -7.306 4.238 523 HA PHE 62 HA PHE 62 -4.441 -4.512 4.423 524 HB2 PHE 62 2HB PHE 62 -2.674 -6.012 5.180 525 HB3 PHE 62 1HB PHE 62 -2.476 -6.647 3.555 526 HD1 PHE 62 1HD PHE 62 -2.184 -3.508 5.531 527 HD2 PHE 62 2HD PHE 62 -0.891 -5.706 2.123 528 HE1 PHE 62 1HE PHE 62 -0.466 -1.814 5.087 529 HE2 PHE 62 2HE PHE 62 0.819 -4.017 1.677 530 HZ PHE 62 HZ PHE 62 1.039 -2.066 3.156 531 H TYR 63 H TYR 63 -4.070 -6.764 1.732 532 HA TYR 63 HA TYR 63 -3.508 -4.709 -0.075 533 HB2 TYR 63 2HB TYR 63 -4.111 -7.610 -0.498 534 HB3 TYR 63 1HB TYR 63 -3.806 -6.508 -1.845 535 HD1 TYR 63 2HD TYR 63 -1.638 -5.222 -1.888 536 HD2 TYR 63 1HD TYR 63 -2.284 -8.478 0.761 537 HE1 TYR 63 2HE TYR 63 0.802 -5.409 -1.531 538 HE2 TYR 63 1HE TYR 63 0.127 -8.676 1.122 539 HH TYR 63 HH TYR 63 2.340 -6.281 0.074 540 H ASP 64 H ASP 64 -6.570 -6.239 0.786 541 HA ASP 64 HA ASP 64 -8.124 -5.071 -1.267 542 HB2 ASP 64 2HB ASP 64 -8.993 -6.761 0.373 543 HB3 ASP 64 1HB ASP 64 -8.969 -5.517 1.608 544 H MET 65 H MET 65 -7.337 -3.899 1.986 545 HA MET 65 HA MET 65 -8.691 -1.466 1.779 546 HB2 MET 65 2HB MET 65 -6.399 -2.275 3.556 547 HB3 MET 65 1HB MET 65 -7.211 -0.720 3.688 548 HG2 MET 65 2HG MET 65 -9.337 -1.908 4.086 549 HG3 MET 65 1HG MET 65 -8.452 -3.423 4.005 550 HE1 MET 65 3HE MET 65 -6.925 -4.377 5.919 551 HE2 MET 65 1HE MET 65 -6.296 -3.400 7.244 552 HE3 MET 65 2HE MET 65 -5.827 -3.041 5.580 553 H ILE 66 H ILE 66 -5.243 -2.170 1.164 554 HA ILE 66 HA ILE 66 -4.777 0.548 0.599 555 HB ILE 66 HB ILE 66 -2.592 -0.043 -0.350 556 HG12 ILE 66 2HG1 ILE 66 -3.246 -2.877 0.345 557 HG13 ILE 66 1HG1 ILE 66 -3.343 -2.286 -1.313 558 HG21 ILE 66 1HG2 ILE 66 -3.206 -1.401 2.263 559 HG22 ILE 66 2HG2 ILE 66 -2.814 0.299 2.030 560 HG23 ILE 66 3HG2 ILE 66 -1.601 -0.940 1.695 561 HD11 ILE 66 3HD1 ILE 66 -0.946 -1.723 -1.195 562 HD12 ILE 66 1HD1 ILE 66 -1.238 -3.442 -0.928 563 HD13 ILE 66 2HD1 ILE 66 -0.892 -2.379 0.439 564 H ALA 67 H ALA 67 -5.591 -2.154 -1.555 565 HA ALA 67 HA ALA 67 -5.016 -0.927 -3.981 566 HB1 ALA 67 1HB ALA 67 -5.670 -3.277 -3.795 567 HB2 ALA 67 2HB ALA 67 -6.656 -2.434 -4.993 568 HB3 ALA 67 3HB ALA 67 -7.316 -2.791 -3.395 569 H GLU 68 H GLU 68 -7.869 -0.619 -2.007 570 HA GLU 68 HA GLU 68 -9.437 1.038 -3.667 571 HB2 GLU 68 2HB GLU 68 -10.300 -0.068 -1.733 572 HB3 GLU 68 1HB GLU 68 -9.223 0.818 -0.660 573 HG2 GLU 68 2HG GLU 68 -11.356 1.808 -0.411 574 HG3 GLU 68 1HG GLU 68 -10.429 2.914 -1.419 575 H ILE 69 H ILE 69 -7.289 1.804 -0.974 576 HA ILE 69 HA ILE 69 -7.508 4.588 -1.076 577 HB ILE 69 HB ILE 69 -5.329 2.839 0.095 578 HG12 ILE 69 2HG1 ILE 69 -7.708 4.172 1.407 579 HG13 ILE 69 1HG1 ILE 69 -7.633 2.475 0.949 580 HG21 ILE 69 1HG2 ILE 69 -4.500 5.122 -0.220 581 HG22 ILE 69 2HG2 ILE 69 -4.735 4.764 1.491 582 HG23 ILE 69 3HG2 ILE 69 -5.911 5.759 0.630 583 HD11 ILE 69 3HD1 ILE 69 -5.805 2.137 2.512 584 HD12 ILE 69 1HD1 ILE 69 -7.231 2.778 3.322 585 HD13 ILE 69 2HD1 ILE 69 -5.865 3.841 2.967 586 H LEU 70 H LEU 70 -5.163 2.401 -2.549 587 HA LEU 70 HA LEU 70 -3.315 4.241 -3.501 588 HB2 LEU 70 2HB LEU 70 -4.198 1.647 -4.773 589 HB3 LEU 70 1HB LEU 70 -2.790 2.562 -5.254 590 HG LEU 70 HG LEU 70 -3.150 1.365 -2.505 591 HD11 LEU 70 1HD1 LEU 70 -1.530 -0.315 -3.211 592 HD12 LEU 70 2HD1 LEU 70 -1.562 0.347 -4.845 593 HD13 LEU 70 3HD1 LEU 70 -3.007 -0.398 -4.170 594 HD21 LEU 70 3HD2 LEU 70 -0.749 2.565 -3.878 595 HD22 LEU 70 1HD2 LEU 70 -0.749 1.795 -2.293 596 HD23 LEU 70 2HD2 LEU 70 -1.655 3.283 -2.546 597 H GLN 71 H GLN 71 -6.228 3.056 -5.142 598 HA GLN 71 HA GLN 71 -5.745 4.604 -7.514 599 HB2 GLN 71 2HB GLN 71 -8.439 3.612 -6.599 600 HB3 GLN 71 1HB GLN 71 -7.885 3.873 -8.247 601 HG2 GLN 71 2HG GLN 71 -6.308 2.005 -7.986 602 HG3 GLN 71 1HG GLN 71 -6.934 1.728 -6.369 603 HE21 GLN 71 1HE2 GLN 71 -7.767 -0.220 -6.661 604 HE22 GLN 71 2HE2 GLN 71 -9.066 -0.595 -7.735 605 H ARG 72 H ARG 72 -7.787 4.913 -4.760 606 HA ARG 72 HA ARG 72 -9.271 7.170 -5.410 607 HB2 ARG 72 2HB ARG 72 -9.685 5.402 -3.708 608 HB3 ARG 72 1HB ARG 72 -8.417 6.101 -2.750 609 HG2 ARG 72 2HG ARG 72 -9.705 8.074 -2.362 610 HG3 ARG 72 1HG ARG 72 -10.967 7.514 -3.478 611 HD2 ARG 72 2HD ARG 72 -11.386 5.577 -2.118 612 HD3 ARG 72 1HD ARG 72 -10.042 5.989 -1.064 613 HE ARG 72 HE ARG 72 -12.420 7.700 -1.287 614 HH11 ARG 72 1HH1 ARG 72 -10.182 5.760 0.668 615 HH12 ARG 72 2HH1 ARG 72 -10.711 6.422 2.141 616 HH21 ARG 72 1HH2 ARG 72 -13.245 8.435 0.741 617 HH22 ARG 72 2HH2 ARG 72 -12.546 7.929 2.205 618 H TYR 73 H TYR 73 -6.224 6.859 -3.581 619 HA TYR 73 HA TYR 73 -6.178 9.726 -3.354 620 HB2 TYR 73 2HB TYR 73 -4.603 7.607 -1.934 621 HB3 TYR 73 1HB TYR 73 -4.114 9.294 -1.885 622 HD1 TYR 73 2HD TYR 73 -7.091 7.124 -1.237 623 HD2 TYR 73 1HD TYR 73 -5.023 10.718 -0.283 624 HE1 TYR 73 2HE TYR 73 -8.722 7.586 0.543 625 HE2 TYR 73 1HE TYR 73 -6.648 11.189 1.500 626 HH TYR 73 HH TYR 73 -8.967 8.848 2.518 627 H TYR 74 H TYR 74 -4.763 7.407 -5.438 628 HA TYR 74 HA TYR 74 -2.483 8.959 -6.067 629 HB2 TYR 74 2HB TYR 74 -2.001 7.160 -7.364 630 HB3 TYR 74 1HB TYR 74 -3.579 6.500 -6.999 631 HD1 TYR 74 2HD TYR 74 -1.618 8.433 -9.476 632 HD2 TYR 74 1HD TYR 74 -5.307 6.480 -8.658 633 HE1 TYR 74 2HE TYR 74 -2.223 8.577 -11.859 634 HE2 TYR 74 1HE TYR 74 -5.913 6.615 -11.026 635 HH TYR 74 HH TYR 74 -3.687 7.473 -13.459 636 H LYS 75 H LYS 75 -5.795 9.111 -6.968 637 HA LYS 75 HA LYS 75 -5.388 11.130 -8.968 638 HB2 LYS 75 2HB LYS 75 -7.922 10.263 -7.576 639 HB3 LYS 75 1HB LYS 75 -7.850 11.361 -8.951 640 HG2 LYS 75 2HG LYS 75 -6.788 9.524 -10.255 641 HG3 LYS 75 1HG LYS 75 -7.078 8.456 -8.895 642 HD2 LYS 75 2HD LYS 75 -9.256 9.925 -10.408 643 HD3 LYS 75 1HD LYS 75 -8.757 8.279 -10.747 644 HE2 LYS 75 2HE LYS 75 -10.705 8.089 -9.448 645 HE3 LYS 75 1HE LYS 75 -9.387 7.739 -8.341 646 HZ1 LYS 75 3HZ LYS 75 -9.662 9.998 -7.405 647 HZ2 LYS 75 1HZ LYS 75 -11.105 9.139 -7.379 648 HZ3 LYS 75 2HZ LYS 75 -10.860 10.324 -8.532 649 H LYS 76 H LYS 76 -5.480 11.128 -5.596 650 HA LYS 76 HA LYS 76 -6.440 13.890 -5.479 651 HB2 LYS 76 2HB LYS 76 -7.368 12.158 -3.896 652 HB3 LYS 76 1HB LYS 76 -5.779 12.089 -3.146 653 HG2 LYS 76 2HG LYS 76 -5.948 14.487 -2.609 654 HG3 LYS 76 1HG LYS 76 -7.564 14.505 -3.311 655 HD2 LYS 76 2HD LYS 76 -8.200 12.737 -1.641 656 HD3 LYS 76 1HD LYS 76 -6.636 13.001 -0.870 657 HE2 LYS 76 2HE LYS 76 -8.791 15.086 -1.266 658 HE3 LYS 76 1HE LYS 76 -8.414 14.263 0.242 659 HZ1 LYS 76 3HZ LYS 76 -6.520 16.034 -1.221 660 HZ2 LYS 76 1HZ LYS 76 -6.296 15.348 0.310 661 HZ3 LYS 76 2HZ LYS 76 -7.489 16.519 0.049 662 H ILE 77 H ILE 77 -3.685 11.933 -4.344 663 HA ILE 77 HA ILE 77 -2.178 14.441 -4.169 664 HB ILE 77 HB ILE 77 -0.768 13.383 -2.398 665 HG12 ILE 77 2HG1 ILE 77 -2.975 11.305 -2.350 666 HG13 ILE 77 1HG1 ILE 77 -1.318 11.020 -2.860 667 HG21 ILE 77 1HG2 ILE 77 -2.387 13.745 -0.583 668 HG22 ILE 77 2HG2 ILE 77 -3.695 13.729 -1.765 669 HG23 ILE 77 3HG2 ILE 77 -2.469 14.998 -1.822 670 HD11 ILE 77 3HD1 ILE 77 -0.547 11.502 -0.594 671 HD12 ILE 77 1HD1 ILE 77 -1.716 10.183 -0.614 672 HD13 ILE 77 2HD1 ILE 77 -2.211 11.793 -0.087 673 H GLY 78 H GLY 78 -2.156 11.189 -5.343 674 HA2 GLY 78 2HA GLY 78 -0.802 10.980 -7.402 675 HA3 GLY 78 1HA GLY 78 0.510 11.738 -6.498 676 H ILE 79 H ILE 79 0.286 9.080 -7.822 677 HA ILE 79 HA ILE 79 -0.111 7.101 -5.896 678 HB ILE 79 HB ILE 79 -0.228 6.554 -8.290 679 HG12 ILE 79 2HG1 ILE 79 1.042 4.417 -8.271 680 HG13 ILE 79 1HG1 ILE 79 1.913 4.988 -6.849 681 HG21 ILE 79 1HG2 ILE 79 1.790 6.268 -9.658 682 HG22 ILE 79 2HG2 ILE 79 2.756 6.938 -8.345 683 HG23 ILE 79 3HG2 ILE 79 1.559 7.944 -9.156 684 HD11 ILE 79 3HD1 ILE 79 0.131 3.416 -6.285 685 HD12 ILE 79 1HD1 ILE 79 -1.057 4.501 -7.002 686 HD13 ILE 79 2HD1 ILE 79 -0.156 5.000 -5.570 687 H GLU 80 H GLU 80 2.902 8.716 -6.872 688 HA GLU 80 HA GLU 80 4.694 7.118 -5.424 689 HB2 GLU 80 2HB GLU 80 4.822 10.074 -6.016 690 HB3 GLU 80 1HB GLU 80 6.144 9.144 -5.341 691 HG2 GLU 80 2HG GLU 80 6.180 7.773 -7.389 692 HG3 GLU 80 1HG GLU 80 4.912 8.801 -8.062 693 H ASN 81 H ASN 81 2.817 9.890 -4.512 694 HA ASN 81 HA ASN 81 3.838 10.296 -1.926 695 HB2 ASN 81 2HB ASN 81 1.095 10.989 -3.034 696 HB3 ASN 81 1HB ASN 81 1.735 11.581 -1.511 697 HD21 ASN 81 1HD2 ASN 81 1.566 13.742 -2.179 698 HD22 ASN 81 2HD2 ASN 81 2.615 14.413 -3.359 699 H VAL 82 H VAL 82 1.006 8.529 -3.100 700 HA VAL 82 HA VAL 82 0.086 7.664 -0.585 701 HB VAL 82 HB VAL 82 -0.300 6.193 -3.214 702 HG11 VAL 82 1HG1 VAL 82 -0.939 4.890 -1.257 703 HG12 VAL 82 2HG1 VAL 82 -2.380 5.393 -2.155 704 HG13 VAL 82 3HG1 VAL 82 -1.929 6.226 -0.675 705 HG21 VAL 82 3HG2 VAL 82 -0.977 8.516 -3.453 706 HG22 VAL 82 1HG2 VAL 82 -1.960 8.392 -1.996 707 HG23 VAL 82 2HG2 VAL 82 -2.386 7.458 -3.431 708 H ASN 83 H ASN 83 2.172 6.082 -2.965 709 HA ASN 83 HA ASN 83 2.549 3.630 -1.723 710 HB2 ASN 83 2HB ASN 83 4.497 5.219 -3.413 711 HB3 ASN 83 1HB ASN 83 4.808 3.575 -2.883 712 HD21 ASN 83 1HD2 ASN 83 4.584 4.574 -5.648 713 HD22 ASN 83 2HD2 ASN 83 3.262 3.682 -6.296 714 H GLN 84 H GLN 84 4.363 6.587 -1.278 715 HA GLN 84 HA GLN 84 6.268 5.592 0.561 716 HB2 GLN 84 2HB GLN 84 6.153 7.824 -0.823 717 HB3 GLN 84 1HB GLN 84 5.274 8.429 0.563 718 HG2 GLN 84 2HG GLN 84 8.113 7.406 0.544 719 HG3 GLN 84 1HG GLN 84 7.623 9.087 0.638 720 HE21 GLN 84 1HE2 GLN 84 8.130 6.160 2.307 721 HE22 GLN 84 2HE2 GLN 84 7.835 6.747 3.898 722 H LEU 85 H LEU 85 3.108 7.139 0.956 723 HA LEU 85 HA LEU 85 3.176 7.281 3.776 724 HB2 LEU 85 2HB LEU 85 0.791 7.253 1.920 725 HB3 LEU 85 1HB LEU 85 0.743 7.698 3.617 726 HG LEU 85 HG LEU 85 2.283 9.169 1.480 727 HD11 LEU 85 1HD1 LEU 85 -0.268 9.955 2.872 728 HD12 LEU 85 2HD1 LEU 85 -0.123 9.432 1.203 729 HD13 LEU 85 3HD1 LEU 85 0.636 10.933 1.723 730 HD21 LEU 85 3HD2 LEU 85 2.601 10.888 3.207 731 HD22 LEU 85 1HD2 LEU 85 3.362 9.361 3.643 732 HD23 LEU 85 2HD2 LEU 85 1.837 9.829 4.393 733 H ILE 86 H ILE 86 2.062 4.789 1.569 734 HA ILE 86 HA ILE 86 0.928 3.079 3.525 735 HB ILE 86 HB ILE 86 2.203 2.353 0.863 736 HG12 ILE 86 2HG1 ILE 86 0.321 3.870 0.543 737 HG13 ILE 86 1HG1 ILE 86 -0.107 2.259 -0.015 738 HG21 ILE 86 1HG2 ILE 86 0.912 0.259 0.976 739 HG22 ILE 86 2HG2 ILE 86 0.371 0.692 2.596 740 HG23 ILE 86 3HG2 ILE 86 2.081 0.396 2.291 741 HD11 ILE 86 3HD1 ILE 86 -1.359 1.899 2.071 742 HD12 ILE 86 1HD1 ILE 86 -1.962 3.280 1.150 743 HD13 ILE 86 2HD1 ILE 86 -0.960 3.543 2.573 744 H LEU 87 H LEU 87 4.157 3.279 2.088 745 HA LEU 87 HA LEU 87 5.341 1.182 3.499 746 HB2 LEU 87 2HB LEU 87 6.576 3.700 2.418 747 HB3 LEU 87 1HB LEU 87 7.505 2.356 3.055 748 HG LEU 87 HG LEU 87 5.666 2.222 0.667 749 HD11 LEU 87 1HD1 LEU 87 7.685 3.518 0.203 750 HD12 LEU 87 2HD1 LEU 87 7.712 1.955 -0.622 751 HD13 LEU 87 3HD1 LEU 87 8.670 2.195 0.837 752 HD21 LEU 87 3HD2 LEU 87 5.741 0.099 1.808 753 HD22 LEU 87 1HD2 LEU 87 7.507 0.180 1.900 754 HD23 LEU 87 2HD2 LEU 87 6.706 0.014 0.339 755 H THR 88 H THR 88 5.059 4.566 4.336 756 HA THR 88 HA THR 88 6.496 4.439 6.745 757 HB THR 88 HB THR 88 4.257 6.345 5.995 758 HG1 THR 88 1HG THR 88 5.794 6.590 4.463 759 HG21 THR 88 3HG2 THR 88 4.852 6.438 8.397 760 HG22 THR 88 1HG2 THR 88 5.384 7.896 7.556 761 HG23 THR 88 2HG2 THR 88 6.549 6.636 7.963 762 H THR 89 H THR 89 3.176 3.694 5.991 763 HA THR 89 HA THR 89 2.214 3.534 8.636 764 HB THR 89 HB THR 89 1.219 2.401 6.020 765 HG1 THR 89 1HG THR 89 1.030 4.505 5.884 766 HG21 THR 89 3HG2 THR 89 0.127 1.075 7.644 767 HG22 THR 89 1HG2 THR 89 -1.023 2.346 7.264 768 HG23 THR 89 2HG2 THR 89 -0.062 2.412 8.755 769 H ILE 90 H ILE 90 3.698 1.176 6.450 770 HA ILE 90 HA ILE 90 3.211 -0.971 8.319 771 HB ILE 90 HB ILE 90 4.377 -2.440 6.730 772 HG12 ILE 90 2HG1 ILE 90 4.709 0.049 5.060 773 HG13 ILE 90 1HG1 ILE 90 6.007 -0.776 5.908 774 HG21 ILE 90 1HG2 ILE 90 2.776 -2.250 4.873 775 HG22 ILE 90 2HG2 ILE 90 2.293 -0.660 5.470 776 HG23 ILE 90 3HG2 ILE 90 2.010 -2.100 6.452 777 HD11 ILE 90 3HD1 ILE 90 6.022 -1.300 3.575 778 HD12 ILE 90 1HD1 ILE 90 4.356 -1.901 3.662 779 HD13 ILE 90 2HD1 ILE 90 5.647 -2.738 4.535 780 H LYS 91 H LYS 91 5.473 1.402 8.101 781 HA LYS 91 HA LYS 91 7.882 0.101 8.788 782 HB2 LYS 91 2HB LYS 91 6.941 2.878 9.522 783 HB3 LYS 91 1HB LYS 91 8.542 2.270 9.886 784 HG2 LYS 91 2HG LYS 91 7.400 2.557 7.121 785 HG3 LYS 91 1HG LYS 91 8.443 3.740 7.906 786 HD2 LYS 91 2HD LYS 91 10.189 1.936 8.086 787 HD3 LYS 91 1HD LYS 91 9.114 0.911 7.117 788 HE2 LYS 91 2HE LYS 91 9.204 2.442 5.275 789 HE3 LYS 91 1HE LYS 91 10.113 3.606 6.235 790 HZ1 LYS 91 3HZ LYS 91 11.108 0.908 5.503 791 HZ2 LYS 91 1HZ LYS 91 11.968 2.110 6.288 792 HZ3 LYS 91 2HZ LYS 91 11.516 2.319 4.680 793 H LEU 92 H LEU 92 7.832 -1.386 10.329 794 HA LEU 92 HA LEU 92 6.588 -0.907 12.883 795 HB2 LEU 92 2HB LEU 92 6.785 -3.181 11.722 796 HB3 LEU 92 1HB LEU 92 8.498 -3.116 12.035 797 HG LEU 92 HG LEU 92 6.405 -3.167 14.233 798 HD11 LEU 92 1HD1 LEU 92 7.977 -5.446 13.045 799 HD12 LEU 92 2HD1 LEU 92 6.240 -5.187 12.891 800 HD13 LEU 92 3HD1 LEU 92 6.944 -5.540 14.470 801 HD21 LEU 92 3HD2 LEU 92 9.370 -3.771 14.281 802 HD22 LEU 92 1HD2 LEU 92 8.268 -3.888 15.651 803 HD23 LEU 92 2HD2 LEU 92 8.614 -2.316 14.932 804 H GLU 93 H GLU 93 7.568 0.200 14.436 805 HA GLU 93 HA GLU 93 10.098 1.349 13.950 806 HB2 GLU 93 2HB GLU 93 8.349 2.560 15.178 807 HB3 GLU 93 1HB GLU 93 8.431 1.380 16.476 808 HG2 GLU 93 2HG GLU 93 9.617 3.487 16.982 809 HG3 GLU 93 1HG GLU 93 10.657 2.065 17.041 810 H HIS 94 H HIS 94 11.940 0.527 14.238 811 HA HIS 94 HA HIS 94 12.227 -1.909 15.773 812 HB2 HIS 94 2HB HIS 94 14.156 -0.508 13.928 813 HB3 HIS 94 1HB HIS 94 14.560 -1.964 14.829 814 HD1 HIS 94 1HD HIS 94 14.048 -1.351 11.590 815 HD2 HIS 94 2HD HIS 94 11.889 -3.732 14.206 816 HE1 HIS 94 1HE HIS 94 12.900 -3.016 10.157 817 HE2 HIS 94 2HE HIS 94 12.014 -4.666 11.812 818 H HIS 95 H HIS 95 12.766 1.410 16.147 819 HA HIS 95 HA HIS 95 14.680 1.137 18.269 820 HB2 HIS 95 2HB HIS 95 12.748 3.373 17.571 821 HB3 HIS 95 1HB HIS 95 13.886 3.467 18.902 822 HD1 HIS 95 1HD HIS 95 13.544 4.729 15.697 823 HD2 HIS 95 2HD HIS 95 16.673 2.860 17.665 824 HE1 HIS 95 1HE HIS 95 15.618 5.439 14.482 825 HE2 HIS 95 2HE HIS 95 17.402 4.004 15.474 826 H HIS 96 H HIS 96 14.104 1.296 20.543 827 HA HIS 96 HA HIS 96 11.758 -0.282 21.017 828 HB2 HIS 96 2HB HIS 96 13.844 -0.678 22.282 829 HB3 HIS 96 1HB HIS 96 13.671 0.892 23.056 830 HD1 HIS 96 1HD HIS 96 12.675 0.728 25.332 831 HD2 HIS 96 2HD HIS 96 11.429 -2.385 22.883 832 HE1 HIS 96 1HE HIS 96 11.279 -0.742 26.782 833 HE2 HIS 96 2HE HIS 96 10.330 -2.461 25.209 834 H HIS 97 H HIS 97 10.311 1.198 20.183 835 HA HIS 97 HA HIS 97 9.089 2.841 22.233 836 HB2 HIS 97 2HB HIS 97 10.127 3.922 19.649 837 HB3 HIS 97 1HB HIS 97 8.568 4.495 20.207 838 HD1 HIS 97 1HD HIS 97 8.574 6.303 21.941 839 HD2 HIS 97 2HD HIS 97 12.312 4.563 21.430 840 HE1 HIS 97 1HE HIS 97 10.175 7.754 23.203 841 HE2 HIS 97 2HE HIS 97 12.427 6.864 22.580 842 H HIS 98 H HIS 98 7.218 1.837 22.359 843 HA HIS 98 HA HIS 98 5.775 0.904 20.014 844 HB2 HIS 98 2HB HIS 98 4.709 1.499 22.808 845 HB3 HIS 98 1HB HIS 98 3.843 0.637 21.548 846 HD1 HIS 98 1HD HIS 98 5.502 -0.020 24.548 847 HD2 HIS 98 2HD HIS 98 5.582 -1.807 20.804 848 HE1 HIS 98 1HE HIS 98 6.401 -2.319 24.921 849 HE2 HIS 98 2HE HIS 98 6.673 -3.269 22.622 850 H HIS 99 H HIS 99 5.907 3.538 22.189 851 HA HIS 99 HA HIS 99 5.305 5.504 20.300 852 HB2 HIS 99 2HB HIS 99 2.946 4.873 20.938 853 HB3 HIS 99 1HB HIS 99 3.362 5.160 22.625 854 HD1 HIS 99 1HD HIS 99 2.357 7.310 23.360 855 HD2 HIS 99 2HD HIS 99 3.705 7.529 19.436 856 HE1 HIS 99 1HE HIS 99 1.884 9.648 22.612 857 HE2 HIS 99 2HE HIS 99 3.077 9.823 20.434 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -0.734 16.792 4.309 2 H2 MET 1 2HT MET 1 0.575 16.708 3.263 3 H3 MET 1 3HT MET 1 0.087 15.361 4.165 4 HA MET 1 HA MET 1 -1.598 16.610 2.109 5 HB2 MET 1 2HB MET 1 -0.002 14.040 2.022 6 HB3 MET 1 1HB MET 1 -1.194 14.523 0.826 7 HG2 MET 1 2HG MET 1 1.403 15.911 1.441 8 HG3 MET 1 1HG MET 1 1.033 14.937 0.021 9 HE1 MET 1 2HE MET 1 1.882 16.928 -1.528 10 HE2 MET 1 3HE MET 1 2.227 17.899 -0.095 11 HE3 MET 1 1HE MET 1 1.271 18.578 -1.415 12 H SER 2 H SER 2 -3.491 15.306 1.665 13 HA SER 2 HA SER 2 -4.727 14.351 3.994 14 HB2 SER 2 2HB SER 2 -5.488 14.157 1.091 15 HB3 SER 2 1HB SER 2 -6.549 13.767 2.449 16 HG SER 2 HG SER 2 -6.779 15.728 2.903 17 H ILE 3 H ILE 3 -4.579 12.455 4.852 18 HA ILE 3 HA ILE 3 -4.765 10.072 3.339 19 HB ILE 3 HB ILE 3 -2.338 10.466 3.107 20 HG12 ILE 3 2HG1 ILE 3 -1.511 8.273 3.986 21 HG13 ILE 3 1HG1 ILE 3 -3.021 8.115 4.871 22 HG21 ILE 3 1HG2 ILE 3 -1.869 11.726 5.109 23 HG22 ILE 3 2HG2 ILE 3 -0.810 10.318 5.018 24 HG23 ILE 3 3HG2 ILE 3 -2.200 10.308 6.107 25 HD11 ILE 3 3HD1 ILE 3 -4.267 8.075 2.783 26 HD12 ILE 3 1HD1 ILE 3 -3.025 6.828 2.802 27 HD13 ILE 3 2HD1 ILE 3 -2.773 8.308 1.873 28 H LEU 4 H LEU 4 -4.245 11.712 6.403 29 HA LEU 4 HA LEU 4 -5.163 9.533 8.016 30 HB2 LEU 4 2HB LEU 4 -4.696 12.450 8.622 31 HB3 LEU 4 1HB LEU 4 -5.102 11.240 9.822 32 HG LEU 4 HG LEU 4 -2.609 11.137 8.118 33 HD11 LEU 4 1HD1 LEU 4 -2.984 12.091 10.942 34 HD12 LEU 4 2HD1 LEU 4 -2.562 13.097 9.550 35 HD13 LEU 4 3HD1 LEU 4 -1.434 11.870 10.132 36 HD21 LEU 4 3HD2 LEU 4 -3.357 8.965 8.972 37 HD22 LEU 4 1HD2 LEU 4 -3.431 9.631 10.602 38 HD23 LEU 4 2HD2 LEU 4 -1.880 9.489 9.777 39 H GLU 5 H GLU 5 -6.755 11.275 5.895 40 HA GLU 5 HA GLU 5 -9.165 11.798 7.420 41 HB2 GLU 5 2HB GLU 5 -8.566 12.070 4.479 42 HB3 GLU 5 1HB GLU 5 -10.066 12.538 5.245 43 HG2 GLU 5 2HG GLU 5 -8.699 14.132 6.639 44 HG3 GLU 5 1HG GLU 5 -7.357 13.767 5.564 45 H ASP 6 H ASP 6 -7.745 9.093 6.158 46 HA ASP 6 HA ASP 6 -10.243 8.133 4.994 47 HB2 ASP 6 2HB ASP 6 -8.015 8.099 3.686 48 HB3 ASP 6 1HB ASP 6 -7.633 6.724 4.711 49 HA PRO 7 HA PRO 7 -10.701 5.561 8.657 50 HB2 PRO 7 2HB PRO 7 -12.645 4.037 7.070 51 HB3 PRO 7 1HB PRO 7 -12.904 4.970 8.542 52 HG2 PRO 7 2HG PRO 7 -13.827 5.776 6.144 53 HG3 PRO 7 1HG PRO 7 -13.314 6.919 7.389 54 HD2 PRO 7 2HD PRO 7 -11.888 6.036 4.919 55 HD3 PRO 7 1HD PRO 7 -11.965 7.633 5.702 56 H GLU 8 H GLU 8 -10.113 4.297 5.412 57 HA GLU 8 HA GLU 8 -9.772 1.612 6.317 58 HB2 GLU 8 2HB GLU 8 -8.854 2.850 3.709 59 HB3 GLU 8 1HB GLU 8 -9.132 1.137 4.020 60 HG2 GLU 8 2HG GLU 8 -11.231 3.307 3.949 61 HG3 GLU 8 1HG GLU 8 -10.888 2.170 2.655 62 H PHE 9 H PHE 9 -7.904 4.441 6.003 63 HA PHE 9 HA PHE 9 -5.316 3.276 6.010 64 HB2 PHE 9 2HB PHE 9 -5.705 5.569 5.209 65 HB3 PHE 9 1HB PHE 9 -6.149 6.063 6.837 66 HD1 PHE 9 1HD PHE 9 -3.380 4.891 4.717 67 HD2 PHE 9 2HD PHE 9 -4.489 6.610 8.441 68 HE1 PHE 9 1HE PHE 9 -1.027 5.411 5.174 69 HE2 PHE 9 2HE PHE 9 -2.136 7.131 8.908 70 HZ PHE 9 HZ PHE 9 -0.399 6.537 7.272 71 H VAL 10 H VAL 10 -7.425 4.464 8.605 72 HA VAL 10 HA VAL 10 -5.476 3.986 10.604 73 HB VAL 10 HB VAL 10 -7.436 5.524 10.980 74 HG11 VAL 10 1HG1 VAL 10 -9.559 4.626 11.777 75 HG12 VAL 10 2HG1 VAL 10 -9.024 3.008 11.321 76 HG13 VAL 10 3HG1 VAL 10 -9.240 4.247 10.084 77 HG21 VAL 10 3HG2 VAL 10 -6.078 4.842 12.852 78 HG22 VAL 10 1HG2 VAL 10 -7.046 3.382 13.062 79 HG23 VAL 10 2HG2 VAL 10 -7.766 4.969 13.350 80 H LYS 11 H LYS 11 -7.959 2.027 9.160 81 HA LYS 11 HA LYS 11 -7.697 -0.258 10.801 82 HB2 LYS 11 2HB LYS 11 -8.316 -0.068 7.851 83 HB3 LYS 11 1HB LYS 11 -8.513 -1.513 8.822 84 HG2 LYS 11 2HG LYS 11 -10.236 -0.439 10.131 85 HG3 LYS 11 1HG LYS 11 -9.984 1.076 9.257 86 HD2 LYS 11 2HD LYS 11 -10.612 -0.058 7.158 87 HD3 LYS 11 1HD LYS 11 -10.900 -1.535 8.072 88 HE2 LYS 11 2HE LYS 11 -12.704 -0.508 9.276 89 HE3 LYS 11 1HE LYS 11 -12.322 1.061 8.565 90 HZ1 LYS 11 3HZ LYS 11 -12.930 0.318 6.459 91 HZ2 LYS 11 1HZ LYS 11 -14.222 -0.066 7.460 92 HZ3 LYS 11 2HZ LYS 11 -13.160 -1.282 6.927 93 H LEU 12 H LEU 12 -6.006 0.822 7.900 94 HA LEU 12 HA LEU 12 -4.265 -1.306 7.634 95 HB2 LEU 12 2HB LEU 12 -3.767 1.589 6.934 96 HB3 LEU 12 1HB LEU 12 -2.679 0.282 6.605 97 HG LEU 12 HG LEU 12 -5.457 0.396 5.458 98 HD11 LEU 12 1HD1 LEU 12 -4.072 2.223 4.619 99 HD12 LEU 12 2HD1 LEU 12 -4.269 0.970 3.386 100 HD13 LEU 12 3HD1 LEU 12 -2.765 1.086 4.290 101 HD21 LEU 12 3HD2 LEU 12 -4.492 -1.874 5.689 102 HD22 LEU 12 1HD2 LEU 12 -3.055 -1.327 4.835 103 HD23 LEU 12 2HD2 LEU 12 -4.599 -1.372 4.000 104 H ARG 13 H ARG 13 -3.844 1.595 9.658 105 HA ARG 13 HA ARG 13 -1.230 0.899 10.427 106 HB2 ARG 13 2HB ARG 13 -3.233 2.658 11.817 107 HB3 ARG 13 1HB ARG 13 -1.690 2.276 12.577 108 HG2 ARG 13 2HG ARG 13 -0.597 3.078 10.454 109 HG3 ARG 13 1HG ARG 13 -2.170 3.709 9.988 110 HD2 ARG 13 2HD ARG 13 -0.787 4.435 12.557 111 HD3 ARG 13 1HD ARG 13 -0.540 5.277 11.029 112 HE ARG 13 HE ARG 13 -3.012 5.709 11.095 113 HH11 ARG 13 1HH1 ARG 13 -1.513 5.027 14.281 114 HH12 ARG 13 2HH1 ARG 13 -2.395 6.252 15.070 115 HH21 ARG 13 1HH2 ARG 13 -4.224 7.381 12.289 116 HH22 ARG 13 2HH2 ARG 13 -3.919 7.584 13.951 117 H GLN 14 H GLN 14 -4.213 -0.238 11.615 118 HA GLN 14 HA GLN 14 -3.114 -1.631 13.858 119 HB2 GLN 14 2HB GLN 14 -5.730 -1.956 12.377 120 HB3 GLN 14 1HB GLN 14 -5.344 -2.704 13.921 121 HG2 GLN 14 2HG GLN 14 -5.246 -0.594 15.017 122 HG3 GLN 14 1HG GLN 14 -5.331 0.271 13.485 123 HE21 GLN 14 1HE2 GLN 14 -7.274 0.499 12.491 124 HE22 GLN 14 2HE2 GLN 14 -8.794 0.172 13.235 125 H PHE 15 H PHE 15 -3.701 -2.331 10.488 126 HA PHE 15 HA PHE 15 -3.054 -5.144 10.871 127 HB2 PHE 15 2HB PHE 15 -5.040 -4.233 9.454 128 HB3 PHE 15 1HB PHE 15 -3.815 -3.865 8.264 129 HD1 PHE 15 1HD PHE 15 -5.068 -6.713 10.300 130 HD2 PHE 15 2HD PHE 15 -3.175 -5.437 6.734 131 HE1 PHE 15 1HE PHE 15 -5.138 -9.018 9.458 132 HE2 PHE 15 2HE PHE 15 -3.233 -7.755 5.872 133 HZ PHE 15 HZ PHE 15 -4.216 -9.539 7.236 134 H LYS 16 H LYS 16 -1.161 -2.522 10.520 135 HA LYS 16 HA LYS 16 0.584 -3.591 8.462 136 HB2 LYS 16 2HB LYS 16 1.152 -1.351 10.416 137 HB3 LYS 16 1HB LYS 16 2.213 -1.846 9.116 138 HG2 LYS 16 2HG LYS 16 -0.393 -0.364 8.994 139 HG3 LYS 16 1HG LYS 16 1.165 0.073 8.296 140 HD2 LYS 16 2HD LYS 16 0.848 -1.933 6.746 141 HD3 LYS 16 1HD LYS 16 -0.802 -2.002 7.347 142 HE2 LYS 16 2HE LYS 16 -1.103 -0.684 5.461 143 HE3 LYS 16 1HE LYS 16 -0.825 0.528 6.717 144 HZ1 LYS 16 3HZ LYS 16 1.105 -0.381 4.657 145 HZ2 LYS 16 1HZ LYS 16 1.556 0.538 5.997 146 HZ3 LYS 16 2HZ LYS 16 0.474 1.157 4.885 147 H GLY 17 H GLY 17 2.995 -3.880 9.019 148 HA2 GLY 17 2HA GLY 17 4.650 -4.623 10.558 149 HA3 GLY 17 1HA GLY 17 3.329 -5.008 11.663 150 H LYS 18 H LYS 18 1.759 -6.435 9.887 151 HA LYS 18 HA LYS 18 2.959 -9.001 10.112 152 HB2 LYS 18 2HB LYS 18 0.303 -7.975 9.171 153 HB3 LYS 18 1HB LYS 18 0.696 -9.686 9.289 154 HG2 LYS 18 2HG LYS 18 0.962 -9.583 11.628 155 HG3 LYS 18 1HG LYS 18 1.011 -7.824 11.615 156 HD2 LYS 18 2HD LYS 18 -1.443 -9.313 10.722 157 HD3 LYS 18 1HD LYS 18 -1.090 -8.998 12.423 158 HE2 LYS 18 2HE LYS 18 -1.251 -6.844 10.346 159 HE3 LYS 18 1HE LYS 18 -2.597 -7.332 11.370 160 HZ1 LYS 18 3HZ LYS 18 -1.576 -5.457 12.444 161 HZ2 LYS 18 1HZ LYS 18 -0.018 -6.101 12.288 162 HZ3 LYS 18 2HZ LYS 18 -1.119 -6.800 13.316 163 H VAL 19 H VAL 19 3.732 -6.894 7.929 164 HA VAL 19 HA VAL 19 3.810 -8.782 5.693 165 HB VAL 19 HB VAL 19 3.221 -7.095 4.053 166 HG11 VAL 19 1HG1 VAL 19 1.310 -6.905 6.354 167 HG12 VAL 19 2HG1 VAL 19 1.305 -8.157 5.111 168 HG13 VAL 19 3HG1 VAL 19 0.921 -6.482 4.686 169 HG21 VAL 19 3HG2 VAL 19 4.316 -5.161 5.086 170 HG22 VAL 19 1HG2 VAL 19 3.077 -5.120 6.344 171 HG23 VAL 19 2HG2 VAL 19 2.642 -4.780 4.668 172 H ASN 20 H ASN 20 5.531 -7.935 4.046 173 HA ASN 20 HA ASN 20 7.867 -7.123 5.620 174 HB2 ASN 20 2HB ASN 20 7.888 -9.138 3.957 175 HB3 ASN 20 1HB ASN 20 7.870 -7.883 2.724 176 HD21 ASN 20 1HD2 ASN 20 9.732 -9.319 5.218 177 HD22 ASN 20 2HD2 ASN 20 11.258 -8.644 4.767 178 H PHE 21 H PHE 21 8.958 -5.253 5.242 179 HA PHE 21 HA PHE 21 7.659 -3.070 4.057 180 HB2 PHE 21 2HB PHE 21 9.255 -2.659 5.805 181 HB3 PHE 21 1HB PHE 21 10.533 -3.456 4.893 182 HD1 PHE 21 2HD PHE 21 8.369 -0.468 4.972 183 HD2 PHE 21 1HD PHE 21 11.834 -2.279 3.329 184 HE1 PHE 21 2HE PHE 21 9.019 1.686 3.974 185 HE2 PHE 21 1HE PHE 21 12.492 -0.139 2.321 186 HZ PHE 21 HZ PHE 21 11.083 1.846 2.633 187 H ASN 22 H ASN 22 10.179 -5.186 2.844 188 HA ASN 22 HA ASN 22 10.777 -3.515 0.580 189 HB2 ASN 22 2HB ASN 22 11.468 -6.443 0.941 190 HB3 ASN 22 1HB ASN 22 12.205 -5.324 -0.197 191 HD21 ASN 22 1HD2 ASN 22 12.103 -6.456 3.033 192 HD22 ASN 22 2HD2 ASN 22 13.441 -5.551 3.633 193 H LEU 23 H LEU 23 8.726 -6.129 1.317 194 HA LEU 23 HA LEU 23 8.045 -6.832 -1.326 195 HB2 LEU 23 2HB LEU 23 7.759 -8.358 0.564 196 HB3 LEU 23 1HB LEU 23 6.562 -7.268 1.242 197 HG LEU 23 HG LEU 23 5.023 -7.741 -0.543 198 HD11 LEU 23 1HD1 LEU 23 7.253 -9.394 -1.704 199 HD12 LEU 23 2HD1 LEU 23 6.558 -7.921 -2.389 200 HD13 LEU 23 3HD1 LEU 23 5.588 -9.386 -2.278 201 HD21 LEU 23 3HD2 LEU 23 5.041 -9.290 1.345 202 HD22 LEU 23 1HD2 LEU 23 6.279 -10.266 0.544 203 HD23 LEU 23 2HD2 LEU 23 4.670 -10.127 -0.158 204 H VAL 24 H VAL 24 6.459 -4.823 1.143 205 HA VAL 24 HA VAL 24 4.278 -4.112 -0.491 206 HB VAL 24 HB VAL 24 5.509 -2.582 1.797 207 HG11 VAL 24 1HG1 VAL 24 2.757 -2.292 0.580 208 HG12 VAL 24 2HG1 VAL 24 4.085 -1.150 0.396 209 HG13 VAL 24 3HG1 VAL 24 3.373 -1.416 1.988 210 HG21 VAL 24 3HG2 VAL 24 4.804 -4.797 2.425 211 HG22 VAL 24 1HG2 VAL 24 3.217 -4.512 1.719 212 HG23 VAL 24 2HG2 VAL 24 3.730 -3.586 3.128 213 H MET 25 H MET 25 7.409 -2.593 0.081 214 HA MET 25 HA MET 25 7.100 -0.350 -1.551 215 HB2 MET 25 2HB MET 25 9.019 -0.610 -0.064 216 HB3 MET 25 1HB MET 25 9.582 -1.994 -0.975 217 HG2 MET 25 2HG MET 25 9.346 0.722 -2.230 218 HG3 MET 25 1HG MET 25 10.781 0.277 -1.302 219 HE1 MET 25 3HE MET 25 12.300 -1.827 -1.998 220 HE2 MET 25 1HE MET 25 12.140 -2.711 -3.520 221 HE3 MET 25 2HE MET 25 10.930 -2.906 -2.258 222 H GLN 26 H GLN 26 8.119 -3.610 -2.331 223 HA GLN 26 HA GLN 26 8.595 -3.168 -5.033 224 HB2 GLN 26 2HB GLN 26 9.499 -5.093 -3.926 225 HB3 GLN 26 1HB GLN 26 7.898 -5.674 -3.502 226 HG2 GLN 26 2HG GLN 26 7.445 -6.039 -5.905 227 HG3 GLN 26 1HG GLN 26 9.103 -5.545 -6.259 228 HE21 GLN 26 1HE2 GLN 26 9.610 -7.529 -7.116 229 HE22 GLN 26 2HE2 GLN 26 9.822 -8.938 -6.153 230 H ILE 27 H ILE 27 5.680 -4.306 -3.316 231 HA ILE 27 HA ILE 27 4.011 -4.759 -5.533 232 HB ILE 27 HB ILE 27 3.253 -3.701 -2.790 233 HG12 ILE 27 2HG1 ILE 27 4.358 -5.874 -2.700 234 HG13 ILE 27 1HG1 ILE 27 2.665 -6.030 -2.271 235 HG21 ILE 27 1HG2 ILE 27 1.461 -3.226 -4.363 236 HG22 ILE 27 2HG2 ILE 27 0.966 -4.495 -3.246 237 HG23 ILE 27 3HG2 ILE 27 1.450 -4.909 -4.893 238 HD11 ILE 27 3HD1 ILE 27 2.190 -6.868 -4.517 239 HD12 ILE 27 1HD1 ILE 27 3.358 -7.847 -3.631 240 HD13 ILE 27 2HD1 ILE 27 3.914 -6.757 -4.903 241 H LEU 28 H LEU 28 4.444 -1.875 -3.584 242 HA LEU 28 HA LEU 28 2.756 -0.139 -4.994 243 HB2 LEU 28 2HB LEU 28 5.251 0.475 -3.426 244 HB3 LEU 28 1HB LEU 28 4.027 1.639 -3.883 245 HG LEU 28 HG LEU 28 3.578 -0.696 -2.026 246 HD11 LEU 28 1HD1 LEU 28 5.079 0.909 -1.053 247 HD12 LEU 28 2HD1 LEU 28 3.503 0.992 -0.262 248 HD13 LEU 28 3HD1 LEU 28 3.971 2.221 -1.439 249 HD21 LEU 28 3HD2 LEU 28 1.825 1.660 -2.708 250 HD22 LEU 28 1HD2 LEU 28 1.473 0.439 -1.485 251 HD23 LEU 28 2HD2 LEU 28 1.538 -0.016 -3.186 252 H ASP 29 H ASP 29 6.107 -1.018 -5.404 253 HA ASP 29 HA ASP 29 6.767 0.938 -7.361 254 HB2 ASP 29 2HB ASP 29 8.381 -0.491 -5.913 255 HB3 ASP 29 1HB ASP 29 8.029 -1.751 -7.051 256 H GLU 30 H GLU 30 5.926 -2.461 -7.474 257 HA GLU 30 HA GLU 30 6.176 -2.922 -10.204 258 HB2 GLU 30 2HB GLU 30 5.717 -4.484 -8.060 259 HB3 GLU 30 1HB GLU 30 4.077 -4.400 -8.672 260 HG2 GLU 30 2HG GLU 30 4.881 -5.283 -10.849 261 HG3 GLU 30 1HG GLU 30 6.496 -5.407 -10.157 262 H ILE 31 H ILE 31 3.338 -1.848 -8.324 263 HA ILE 31 HA ILE 31 1.641 -1.700 -10.644 264 HB ILE 31 HB ILE 31 0.027 -0.448 -9.271 265 HG12 ILE 31 2HG1 ILE 31 2.097 -0.511 -7.066 266 HG13 ILE 31 1HG1 ILE 31 1.685 0.912 -8.009 267 HG21 ILE 31 1HG2 ILE 31 -0.353 -2.112 -7.481 268 HG22 ILE 31 2HG2 ILE 31 1.237 -2.783 -7.817 269 HG23 ILE 31 3HG2 ILE 31 -0.022 -2.835 -9.054 270 HD11 ILE 31 3HD1 ILE 31 0.626 0.948 -5.842 271 HD12 ILE 31 1HD1 ILE 31 -0.157 -0.599 -6.181 272 HD13 ILE 31 2HD1 ILE 31 -0.581 0.831 -7.125 273 H GLU 32 H GLU 32 3.653 0.602 -8.889 274 HA GLU 32 HA GLU 32 2.869 2.945 -10.154 275 HB2 GLU 32 2HB GLU 32 4.181 2.950 -8.117 276 HB3 GLU 32 1HB GLU 32 5.523 2.179 -8.948 277 HG2 GLU 32 2HG GLU 32 5.836 4.135 -10.306 278 HG3 GLU 32 1HG GLU 32 4.454 4.921 -9.537 279 H LEU 33 H LEU 33 5.508 0.722 -10.894 280 HA LEU 33 HA LEU 33 6.424 2.182 -13.094 281 HB2 LEU 33 2HB LEU 33 7.772 0.240 -13.708 282 HB3 LEU 33 1HB LEU 33 7.921 0.645 -12.024 283 HG LEU 33 HG LEU 33 6.236 -1.280 -11.622 284 HD11 LEU 33 1HD1 LEU 33 5.545 -1.647 -13.909 285 HD12 LEU 33 2HD1 LEU 33 6.304 -3.091 -13.239 286 HD13 LEU 33 3HD1 LEU 33 7.201 -2.064 -14.358 287 HD21 LEU 33 3HD2 LEU 33 8.553 -1.361 -10.926 288 HD22 LEU 33 1HD2 LEU 33 9.045 -1.846 -12.550 289 HD23 LEU 33 2HD2 LEU 33 8.054 -2.925 -11.569 290 H ASP 34 H ASP 34 3.878 -0.212 -12.911 291 HA ASP 34 HA ASP 34 3.634 -0.324 -15.772 292 HB2 ASP 34 2HB ASP 34 2.635 -2.150 -14.485 293 HB3 ASP 34 1HB ASP 34 1.554 -1.019 -13.672 294 H LEU 35 H LEU 35 1.878 1.368 -13.222 295 HA LEU 35 HA LEU 35 0.036 2.744 -14.807 296 HB2 LEU 35 2HB LEU 35 -0.211 2.501 -12.416 297 HB3 LEU 35 1HB LEU 35 1.232 3.449 -12.134 298 HG LEU 35 HG LEU 35 0.076 5.427 -13.075 299 HD11 LEU 35 1HD1 LEU 35 -2.347 5.381 -13.349 300 HD12 LEU 35 2HD1 LEU 35 -2.343 3.637 -13.092 301 HD13 LEU 35 3HD1 LEU 35 -1.535 4.325 -14.501 302 HD21 LEU 35 3HD2 LEU 35 -1.296 4.072 -10.764 303 HD22 LEU 35 1HD2 LEU 35 -1.376 5.796 -11.139 304 HD23 LEU 35 2HD2 LEU 35 0.160 5.055 -10.683 305 H ARG 36 H ARG 36 3.311 3.419 -14.031 306 HA ARG 36 HA ARG 36 3.606 6.126 -14.614 307 HB2 ARG 36 2HB ARG 36 5.233 4.103 -13.828 308 HB3 ARG 36 1HB ARG 36 5.748 4.284 -15.491 309 HG2 ARG 36 2HG ARG 36 7.197 5.562 -14.100 310 HG3 ARG 36 1HG ARG 36 6.198 6.693 -15.016 311 HD2 ARG 36 2HD ARG 36 4.806 7.120 -13.123 312 HD3 ARG 36 1HD ARG 36 5.522 5.792 -12.219 313 HE ARG 36 HE ARG 36 7.391 7.829 -12.996 314 HH11 ARG 36 1HH1 ARG 36 5.006 6.965 -10.538 315 HH12 ARG 36 2HH1 ARG 36 5.805 7.734 -9.241 316 HH21 ARG 36 1HH2 ARG 36 8.460 8.995 -11.215 317 HH22 ARG 36 2HH2 ARG 36 7.822 8.934 -9.634 318 H GLY 37 H GLY 37 3.235 3.334 -16.710 319 HA2 GLY 37 2HA GLY 37 3.433 5.118 -19.028 320 HA3 GLY 37 1HA GLY 37 4.183 3.533 -19.028 321 H SER 38 H SER 38 1.119 3.761 -17.400 322 HA SER 38 HA SER 38 -0.083 2.755 -19.838 323 HB2 SER 38 2HB SER 38 -1.566 1.260 -18.477 324 HB3 SER 38 1HB SER 38 0.141 0.838 -18.381 325 HG SER 38 HG SER 38 -0.422 0.815 -16.315 326 H ASP 39 H ASP 39 -2.025 3.136 -17.010 327 HA ASP 39 HA ASP 39 -2.957 5.741 -17.332 328 HB2 ASP 39 2HB ASP 39 -3.678 5.177 -19.586 329 HB3 ASP 39 1HB ASP 39 -4.553 3.774 -18.996 330 H ASN 40 H ASN 40 -4.305 2.434 -16.839 331 HA ASN 40 HA ASN 40 -5.955 3.631 -14.752 332 HB2 ASN 40 2HB ASN 40 -6.936 2.197 -16.648 333 HB3 ASN 40 1HB ASN 40 -6.254 0.843 -15.780 334 HD21 ASN 40 1HD2 ASN 40 -9.036 1.560 -16.273 335 HD22 ASN 40 2HD2 ASN 40 -9.806 1.639 -14.731 336 H ILE 41 H ILE 41 -5.168 3.523 -12.838 337 HA ILE 41 HA ILE 41 -3.058 1.848 -12.061 338 HB ILE 41 HB ILE 41 -3.378 3.988 -10.950 339 HG12 ILE 41 2HG1 ILE 41 -3.735 1.677 -9.021 340 HG13 ILE 41 1HG1 ILE 41 -2.210 2.219 -9.700 341 HG21 ILE 41 1HG2 ILE 41 -5.200 4.329 -9.319 342 HG22 ILE 41 2HG2 ILE 41 -5.956 2.837 -9.913 343 HG23 ILE 41 3HG2 ILE 41 -5.739 4.212 -10.991 344 HD11 ILE 41 3HD1 ILE 41 -3.980 3.770 -7.828 345 HD12 ILE 41 1HD1 ILE 41 -2.465 4.349 -8.528 346 HD13 ILE 41 2HD1 ILE 41 -2.460 2.967 -7.430 347 H LYS 42 H LYS 42 -6.544 1.375 -11.869 348 HA LYS 42 HA LYS 42 -6.249 -0.676 -9.884 349 HB2 LYS 42 2HB LYS 42 -8.578 -1.217 -10.144 350 HB3 LYS 42 1HB LYS 42 -8.396 0.529 -10.092 351 HG2 LYS 42 2HG LYS 42 -8.728 0.617 -12.512 352 HG3 LYS 42 1HG LYS 42 -8.887 -1.142 -12.549 353 HD2 LYS 42 2HD LYS 42 -10.804 -0.962 -11.000 354 HD3 LYS 42 1HD LYS 42 -10.680 0.793 -11.079 355 HE2 LYS 42 2HE LYS 42 -11.132 0.740 -13.471 356 HE3 LYS 42 1HE LYS 42 -11.173 -1.021 -13.435 357 HZ1 LYS 42 3HZ LYS 42 -13.079 0.790 -12.051 358 HZ2 LYS 42 1HZ LYS 42 -13.083 -0.899 -11.962 359 HZ3 LYS 42 2HZ LYS 42 -13.381 -0.146 -13.423 360 H THR 43 H THR 43 -6.179 -0.538 -13.264 361 HA THR 43 HA THR 43 -6.267 -3.338 -13.705 362 HB THR 43 HB THR 43 -5.050 -1.196 -15.465 363 HG1 THR 43 1HG THR 43 -7.721 -2.045 -14.990 364 HG21 THR 43 3HG2 THR 43 -6.354 -3.857 -16.093 365 HG22 THR 43 1HG2 THR 43 -4.619 -3.544 -16.129 366 HG23 THR 43 2HG2 THR 43 -5.682 -2.729 -17.274 367 H SER 44 H SER 44 -3.673 -0.879 -13.338 368 HA SER 44 HA SER 44 -1.471 -2.522 -13.561 369 HB2 SER 44 2HB SER 44 -1.815 -0.206 -11.638 370 HB3 SER 44 1HB SER 44 -0.290 -0.830 -12.268 371 HG SER 44 HG SER 44 -1.003 -0.223 -14.373 372 H ILE 45 H ILE 45 -3.530 -1.872 -10.765 373 HA ILE 45 HA ILE 45 -2.302 -3.319 -8.731 374 HB ILE 45 HB ILE 45 -5.259 -2.966 -9.314 375 HG12 ILE 45 2HG1 ILE 45 -4.097 -0.849 -8.907 376 HG13 ILE 45 1HG1 ILE 45 -5.233 -1.201 -7.612 377 HG21 ILE 45 1HG2 ILE 45 -5.043 -4.872 -7.875 378 HG22 ILE 45 2HG2 ILE 45 -5.732 -3.517 -6.981 379 HG23 ILE 45 3HG2 ILE 45 -4.039 -3.952 -6.754 380 HD11 ILE 45 3HD1 ILE 45 -3.187 -0.272 -6.734 381 HD12 ILE 45 1HD1 ILE 45 -2.250 -1.540 -7.523 382 HD13 ILE 45 2HD1 ILE 45 -3.358 -1.950 -6.213 383 H ILE 46 H ILE 46 -4.595 -4.410 -11.182 384 HA ILE 46 HA ILE 46 -5.026 -6.999 -10.367 385 HB ILE 46 HB ILE 46 -4.990 -5.887 -13.173 386 HG12 ILE 46 2HG1 ILE 46 -7.259 -6.442 -11.242 387 HG13 ILE 46 1HG1 ILE 46 -6.635 -4.863 -11.705 388 HG21 ILE 46 1HG2 ILE 46 -6.315 -7.847 -13.837 389 HG22 ILE 46 2HG2 ILE 46 -6.038 -8.557 -12.243 390 HG23 ILE 46 3HG2 ILE 46 -4.682 -8.280 -13.333 391 HD11 ILE 46 3HD1 ILE 46 -8.004 -6.824 -13.526 392 HD12 ILE 46 1HD1 ILE 46 -7.398 -5.237 -13.995 393 HD13 ILE 46 2HD1 ILE 46 -8.725 -5.370 -12.838 394 H TYR 47 H TYR 47 -2.489 -5.866 -12.607 395 HA TYR 47 HA TYR 47 -1.507 -8.394 -13.331 396 HB2 TYR 47 2HB TYR 47 0.245 -5.959 -13.007 397 HB3 TYR 47 1HB TYR 47 0.520 -7.342 -14.048 398 HD1 TYR 47 2HD TYR 47 -1.600 -7.726 -15.723 399 HD2 TYR 47 1HD TYR 47 -0.340 -4.075 -14.010 400 HE1 TYR 47 2HE TYR 47 -2.712 -6.502 -17.539 401 HE2 TYR 47 1HE TYR 47 -1.424 -2.830 -15.782 402 HH TYR 47 HH TYR 47 -2.243 -3.085 -17.939 403 H VAL 48 H VAL 48 -0.511 -6.198 -10.834 404 HA VAL 48 HA VAL 48 1.665 -7.709 -9.900 405 HB VAL 48 HB VAL 48 0.113 -5.493 -8.559 406 HG11 VAL 48 1HG1 VAL 48 1.473 -6.739 -6.941 407 HG12 VAL 48 2HG1 VAL 48 2.144 -5.135 -7.223 408 HG13 VAL 48 3HG1 VAL 48 2.887 -6.548 -7.975 409 HG21 VAL 48 3HG2 VAL 48 2.575 -5.453 -10.296 410 HG22 VAL 48 1HG2 VAL 48 1.908 -4.054 -9.458 411 HG23 VAL 48 2HG2 VAL 48 0.980 -4.848 -10.727 412 H TYR 49 H TYR 49 -1.649 -7.307 -8.647 413 HA TYR 49 HA TYR 49 -1.216 -8.973 -6.429 414 HB2 TYR 49 2HB TYR 49 -3.742 -8.042 -7.787 415 HB3 TYR 49 1HB TYR 49 -3.772 -9.086 -6.374 416 HD1 TYR 49 2HD TYR 49 -1.242 -6.420 -6.731 417 HD2 TYR 49 1HD TYR 49 -4.986 -7.489 -5.045 418 HE1 TYR 49 2HE TYR 49 -1.139 -4.435 -5.291 419 HE2 TYR 49 1HE TYR 49 -4.897 -5.499 -3.590 420 HH TYR 49 HH TYR 49 -3.385 -3.918 -2.716 421 H SER 50 H SER 50 -2.407 -9.591 -9.668 422 HA SER 50 HA SER 50 -3.072 -12.291 -9.228 423 HB2 SER 50 2HB SER 50 -3.886 -10.848 -11.124 424 HB3 SER 50 1HB SER 50 -2.277 -10.947 -11.822 425 HG SER 50 HG SER 50 -2.647 -13.320 -11.780 426 H SER 51 H SER 51 -0.052 -10.663 -9.679 427 HA SER 51 HA SER 51 1.342 -13.123 -10.407 428 HB2 SER 51 2HB SER 51 1.751 -10.902 -11.605 429 HB3 SER 51 1HB SER 51 2.487 -10.322 -10.118 430 HG SER 51 HG SER 51 4.210 -11.541 -10.472 431 H HIS 52 H HIS 52 0.303 -11.670 -7.642 432 HA HIS 52 HA HIS 52 2.452 -12.866 -6.002 433 HB2 HIS 52 2HB HIS 52 1.142 -10.154 -5.651 434 HB3 HIS 52 1HB HIS 52 1.944 -10.972 -4.329 435 HD1 HIS 52 1HD HIS 52 4.274 -10.266 -3.989 436 HD2 HIS 52 2HD HIS 52 3.048 -9.633 -7.910 437 HE1 HIS 52 1HE HIS 52 6.193 -9.092 -5.136 438 HE2 HIS 52 2HE HIS 52 5.265 -8.459 -7.398 439 H LEU 53 H LEU 53 -0.053 -13.969 -6.832 440 HA LEU 53 HA LEU 53 -2.299 -13.471 -5.346 441 HB2 LEU 53 2HB LEU 53 -1.420 -16.127 -6.416 442 HB3 LEU 53 1HB LEU 53 -2.979 -15.794 -5.675 443 HG LEU 53 HG LEU 53 -1.948 -14.406 -8.142 444 HD11 LEU 53 1HD1 LEU 53 -3.533 -15.822 -9.376 445 HD12 LEU 53 2HD1 LEU 53 -3.914 -16.685 -7.885 446 HD13 LEU 53 3HD1 LEU 53 -2.292 -16.786 -8.575 447 HD21 LEU 53 3HD2 LEU 53 -4.669 -14.476 -6.829 448 HD22 LEU 53 1HD2 LEU 53 -4.324 -13.747 -8.396 449 HD23 LEU 53 2HD2 LEU 53 -3.589 -13.085 -6.940 450 H ASP 54 H ASP 54 0.162 -15.848 -4.397 451 HA ASP 54 HA ASP 54 -1.360 -16.771 -2.208 452 HB2 ASP 54 2HB ASP 54 0.476 -18.127 -3.108 453 HB3 ASP 54 1HB ASP 54 1.646 -16.941 -2.535 454 H GLU 55 H GLU 55 1.181 -14.418 -2.424 455 HA GLU 55 HA GLU 55 1.415 -13.575 0.230 456 HB2 GLU 55 2HB GLU 55 2.993 -13.001 -1.395 457 HB3 GLU 55 1HB GLU 55 1.768 -12.349 -2.463 458 HG2 GLU 55 2HG GLU 55 1.426 -10.553 -0.824 459 HG3 GLU 55 1HG GLU 55 2.861 -11.038 0.057 460 H ILE 56 H ILE 56 -0.464 -12.275 -2.456 461 HA ILE 56 HA ILE 56 -1.912 -10.311 -1.121 462 HB ILE 56 HB ILE 56 -2.957 -11.977 -3.441 463 HG12 ILE 56 2HG1 ILE 56 -0.874 -10.959 -4.137 464 HG13 ILE 56 1HG1 ILE 56 -2.213 -10.083 -4.869 465 HG21 ILE 56 1HG2 ILE 56 -4.377 -10.051 -3.973 466 HG22 ILE 56 2HG2 ILE 56 -3.833 -9.252 -2.500 467 HG23 ILE 56 3HG2 ILE 56 -4.764 -10.751 -2.398 468 HD11 ILE 56 3HD1 ILE 56 -1.957 -8.304 -3.225 469 HD12 ILE 56 1HD1 ILE 56 -0.469 -8.579 -4.135 470 HD13 ILE 56 2HD1 ILE 56 -0.620 -9.185 -2.487 471 H ARG 57 H ARG 57 -2.740 -13.738 -1.541 472 HA ARG 57 HA ARG 57 -5.172 -13.612 -0.114 473 HB2 ARG 57 2HB ARG 57 -3.318 -15.976 -0.378 474 HB3 ARG 57 1HB ARG 57 -4.978 -16.045 0.189 475 HG2 ARG 57 2HG ARG 57 -5.746 -15.247 -2.004 476 HG3 ARG 57 1HG ARG 57 -4.072 -15.226 -2.559 477 HD2 ARG 57 2HD ARG 57 -5.658 -17.629 -1.664 478 HD3 ARG 57 1HD ARG 57 -5.135 -17.259 -3.308 479 HE ARG 57 HE ARG 57 -2.957 -17.433 -1.489 480 HH11 ARG 57 1HH1 ARG 57 -5.145 -19.409 -3.464 481 HH12 ARG 57 2HH1 ARG 57 -4.103 -20.757 -3.471 482 HH21 ARG 57 1HH2 ARG 57 -1.523 -19.357 -1.530 483 HH22 ARG 57 2HH2 ARG 57 -2.067 -20.714 -2.392 484 H LYS 58 H LYS 58 -1.881 -14.004 1.044 485 HA LYS 58 HA LYS 58 -2.482 -14.678 3.712 486 HB2 LYS 58 2HB LYS 58 -0.117 -13.631 2.312 487 HB3 LYS 58 1HB LYS 58 -0.214 -13.178 4.002 488 HG2 LYS 58 2HG LYS 58 1.121 -15.152 3.791 489 HG3 LYS 58 1HG LYS 58 -0.387 -15.571 4.592 490 HD2 LYS 58 2HD LYS 58 -1.243 -16.501 2.500 491 HD3 LYS 58 1HD LYS 58 0.249 -16.034 1.678 492 HE2 LYS 58 2HE LYS 58 1.516 -17.437 3.262 493 HE3 LYS 58 1HE LYS 58 -0.002 -17.950 3.982 494 HZ1 LYS 58 3HZ LYS 58 0.899 -19.542 2.395 495 HZ2 LYS 58 1HZ LYS 58 0.783 -18.415 1.153 496 HZ3 LYS 58 2HZ LYS 58 -0.612 -18.999 1.898 497 H ASN 59 H ASN 59 -1.928 -11.523 2.230 498 HA ASN 59 HA ASN 59 -3.269 -10.372 4.575 499 HB2 ASN 59 2HB ASN 59 -0.919 -9.163 3.090 500 HB3 ASN 59 1HB ASN 59 -1.882 -8.313 4.293 501 HD21 ASN 59 1HD2 ASN 59 0.536 -10.727 3.757 502 HD22 ASN 59 2HD2 ASN 59 0.920 -10.947 5.427 503 H LYS 60 H LYS 60 -4.954 -10.973 2.957 504 HA LYS 60 HA LYS 60 -5.305 -9.444 0.619 505 HB2 LYS 60 2HB LYS 60 -7.435 -10.455 0.416 506 HB3 LYS 60 1HB LYS 60 -6.457 -11.656 1.234 507 HG2 LYS 60 2HG LYS 60 -7.483 -10.592 3.400 508 HG3 LYS 60 1HG LYS 60 -8.706 -9.994 2.288 509 HD2 LYS 60 2HD LYS 60 -9.517 -12.033 3.174 510 HD3 LYS 60 1HD LYS 60 -8.990 -12.380 1.525 511 HE2 LYS 60 2HE LYS 60 -8.253 -14.123 3.031 512 HE3 LYS 60 1HE LYS 60 -6.858 -13.252 2.405 513 HZ1 LYS 60 3HZ LYS 60 -6.585 -13.603 4.752 514 HZ2 LYS 60 1HZ LYS 60 -8.105 -12.978 5.075 515 HZ3 LYS 60 2HZ LYS 60 -6.894 -11.945 4.563 516 H GLU 61 H GLU 61 -6.210 -9.021 3.947 517 HA GLU 61 HA GLU 61 -7.946 -6.900 3.633 518 HB2 GLU 61 2HB GLU 61 -6.121 -7.389 5.982 519 HB3 GLU 61 1HB GLU 61 -7.619 -6.463 5.908 520 HG2 GLU 61 2HG GLU 61 -8.364 -8.416 6.896 521 HG3 GLU 61 1HG GLU 61 -8.682 -8.742 5.201 522 H PHE 62 H PHE 62 -4.470 -7.005 4.166 523 HA PHE 62 HA PHE 62 -3.973 -4.232 4.312 524 HB2 PHE 62 2HB PHE 62 -2.281 -5.841 5.066 525 HB3 PHE 62 1HB PHE 62 -2.232 -6.545 3.462 526 HD1 PHE 62 2HD PHE 62 -1.320 -3.508 5.402 527 HD2 PHE 62 1HD PHE 62 -0.820 -5.705 1.794 528 HE1 PHE 62 2HE PHE 62 0.508 -2.050 4.741 529 HE2 PHE 62 1HE PHE 62 1.010 -4.235 1.162 530 HZ PHE 62 HZ PHE 62 1.671 -2.399 2.641 531 H TYR 63 H TYR 63 -3.680 -6.552 1.648 532 HA TYR 63 HA TYR 63 -2.884 -4.576 -0.157 533 HB2 TYR 63 2HB TYR 63 -3.683 -7.432 -0.576 534 HB3 TYR 63 1HB TYR 63 -3.230 -6.372 -1.908 535 HD1 TYR 63 1HD TYR 63 -0.991 -4.972 -1.337 536 HD2 TYR 63 2HD TYR 63 -1.972 -8.790 0.220 537 HE1 TYR 63 1HE TYR 63 1.409 -5.402 -0.930 538 HE2 TYR 63 2HE TYR 63 0.408 -9.250 0.616 539 HH TYR 63 HH TYR 63 2.622 -8.288 -0.615 540 H ASP 64 H ASP 64 -6.055 -5.881 0.582 541 HA ASP 64 HA ASP 64 -7.226 -4.700 -1.724 542 HB2 ASP 64 2HB ASP 64 -8.427 -6.506 -0.776 543 HB3 ASP 64 1HB ASP 64 -8.400 -5.784 0.823 544 H MET 65 H MET 65 -6.906 -3.652 1.663 545 HA MET 65 HA MET 65 -8.381 -1.291 1.206 546 HB2 MET 65 2HB MET 65 -6.499 -1.999 3.451 547 HB3 MET 65 1HB MET 65 -7.396 -0.483 3.386 548 HG2 MET 65 2HG MET 65 -9.482 -1.833 3.232 549 HG3 MET 65 1HG MET 65 -8.484 -3.250 3.474 550 HE1 MET 65 3HE MET 65 -7.209 -2.855 7.147 551 HE2 MET 65 1HE MET 65 -6.393 -2.460 5.635 552 HE3 MET 65 2HE MET 65 -7.340 -3.943 5.762 553 H ILE 66 H ILE 66 -4.899 -1.973 1.035 554 HA ILE 66 HA ILE 66 -4.394 0.758 0.576 555 HB ILE 66 HB ILE 66 -2.176 0.209 -0.320 556 HG12 ILE 66 2HG1 ILE 66 -2.776 -2.675 0.196 557 HG13 ILE 66 1HG1 ILE 66 -2.922 -2.007 -1.419 558 HG21 ILE 66 1HG2 ILE 66 -1.223 -0.825 1.677 559 HG22 ILE 66 2HG2 ILE 66 -2.844 -1.299 2.184 560 HG23 ILE 66 3HG2 ILE 66 -2.426 0.411 2.058 561 HD11 ILE 66 3HD1 ILE 66 -0.769 -3.052 -1.225 562 HD12 ILE 66 1HD1 ILE 66 -0.432 -2.180 0.277 563 HD13 ILE 66 2HD1 ILE 66 -0.541 -1.311 -1.251 564 H ALA 67 H ALA 67 -5.084 -1.910 -1.638 565 HA ALA 67 HA ALA 67 -4.606 -0.611 -4.057 566 HB1 ALA 67 1HB ALA 67 -5.153 -2.998 -3.899 567 HB2 ALA 67 2HB ALA 67 -6.200 -2.177 -5.057 568 HB3 ALA 67 3HB ALA 67 -6.805 -2.583 -3.453 569 H GLU 68 H GLU 68 -7.348 -0.467 -1.947 570 HA GLU 68 HA GLU 68 -9.068 1.071 -3.589 571 HB2 GLU 68 2HB GLU 68 -9.854 -0.280 -1.734 572 HB3 GLU 68 1HB GLU 68 -8.895 0.651 -0.602 573 HG2 GLU 68 2HG GLU 68 -11.215 1.236 -0.427 574 HG3 GLU 68 1HG GLU 68 -10.293 2.600 -1.049 575 H ILE 69 H ILE 69 -7.025 1.923 -0.803 576 HA ILE 69 HA ILE 69 -7.409 4.702 -0.881 577 HB ILE 69 HB ILE 69 -5.115 3.094 0.272 578 HG12 ILE 69 2HG1 ILE 69 -7.560 4.279 1.599 579 HG13 ILE 69 1HG1 ILE 69 -7.374 2.587 1.153 580 HG21 ILE 69 1HG2 ILE 69 -4.434 5.439 -0.045 581 HG22 ILE 69 2HG2 ILE 69 -4.608 5.036 1.663 582 HG23 ILE 69 3HG2 ILE 69 -5.864 5.968 0.850 583 HD11 ILE 69 3HD1 ILE 69 -6.930 2.839 3.504 584 HD12 ILE 69 1HD1 ILE 69 -5.732 4.099 3.171 585 HD13 ILE 69 2HD1 ILE 69 -5.456 2.438 2.650 586 H LEU 70 H LEU 70 -4.944 2.676 -2.397 587 HA LEU 70 HA LEU 70 -3.224 4.634 -3.354 588 HB2 LEU 70 2HB LEU 70 -3.951 1.962 -4.540 589 HB3 LEU 70 1HB LEU 70 -2.645 2.964 -5.141 590 HG LEU 70 HG LEU 70 -2.766 1.854 -2.333 591 HD11 LEU 70 1HD1 LEU 70 -1.069 0.264 -3.080 592 HD12 LEU 70 2HD1 LEU 70 -1.262 0.848 -4.734 593 HD13 LEU 70 3HD1 LEU 70 -2.600 0.037 -3.923 594 HD21 LEU 70 3HD2 LEU 70 -0.530 3.142 -3.894 595 HD22 LEU 70 1HD2 LEU 70 -0.398 2.455 -2.275 596 HD23 LEU 70 2HD2 LEU 70 -1.416 3.868 -2.554 597 H GLN 71 H GLN 71 -6.097 3.269 -4.925 598 HA GLN 71 HA GLN 71 -5.840 4.822 -7.302 599 HB2 GLN 71 2HB GLN 71 -8.389 3.745 -6.080 600 HB3 GLN 71 1HB GLN 71 -8.154 4.229 -7.748 601 HG2 GLN 71 2HG GLN 71 -6.588 2.374 -8.055 602 HG3 GLN 71 1HG GLN 71 -6.832 1.890 -6.384 603 HE21 GLN 71 1HE2 GLN 71 -7.703 -0.051 -6.799 604 HE22 GLN 71 2HE2 GLN 71 -9.251 -0.296 -7.534 605 H ARG 72 H ARG 72 -7.664 5.187 -4.313 606 HA ARG 72 HA ARG 72 -9.223 7.348 -4.788 607 HB2 ARG 72 2HB ARG 72 -9.315 5.690 -2.975 608 HB3 ARG 72 1HB ARG 72 -7.855 6.373 -2.320 609 HG2 ARG 72 2HG ARG 72 -8.963 8.395 -1.771 610 HG3 ARG 72 1HG ARG 72 -10.440 7.840 -2.579 611 HD2 ARG 72 2HD ARG 72 -9.122 6.391 -0.301 612 HD3 ARG 72 1HD ARG 72 -10.416 7.561 -0.109 613 HE ARG 72 HE ARG 72 -11.303 5.711 -1.953 614 HH11 ARG 72 1HH1 ARG 72 -10.346 5.605 1.494 615 HH12 ARG 72 2HH1 ARG 72 -11.363 4.324 1.878 616 HH21 ARG 72 1HH2 ARG 72 -12.806 4.019 -1.339 617 HH22 ARG 72 2HH2 ARG 72 -12.828 3.414 0.242 618 H TYR 73 H TYR 73 -5.977 7.283 -3.263 619 HA TYR 73 HA TYR 73 -6.054 10.160 -3.280 620 HB2 TYR 73 2HB TYR 73 -4.233 8.274 -1.829 621 HB3 TYR 73 1HB TYR 73 -3.930 10.004 -1.903 622 HD1 TYR 73 1HD TYR 73 -6.240 7.439 -0.631 623 HD2 TYR 73 2HD TYR 73 -5.294 11.570 -0.737 624 HE1 TYR 73 1HE TYR 73 -7.857 7.851 1.184 625 HE2 TYR 73 2HE TYR 73 -6.896 12.002 1.067 626 HH TYR 73 HH TYR 73 -8.333 9.493 2.877 627 H TYR 74 H TYR 74 -4.685 7.791 -5.296 628 HA TYR 74 HA TYR 74 -2.533 9.386 -6.179 629 HB2 TYR 74 2HB TYR 74 -2.071 7.420 -7.203 630 HB3 TYR 74 1HB TYR 74 -3.689 6.832 -6.878 631 HD1 TYR 74 1HD TYR 74 -5.396 6.948 -8.542 632 HD2 TYR 74 2HD TYR 74 -1.490 8.393 -9.370 633 HE1 TYR 74 1HE TYR 74 -5.940 6.999 -10.891 634 HE2 TYR 74 2HE TYR 74 -2.022 8.452 -11.768 635 HH TYR 74 HH TYR 74 -3.574 7.504 -13.344 636 H LYS 75 H LYS 75 -5.918 9.352 -6.791 637 HA LYS 75 HA LYS 75 -5.937 11.092 -9.051 638 HB2 LYS 75 2HB LYS 75 -8.062 10.505 -6.979 639 HB3 LYS 75 1HB LYS 75 -8.339 11.352 -8.492 640 HG2 LYS 75 2HG LYS 75 -7.289 8.531 -8.360 641 HG3 LYS 75 1HG LYS 75 -9.000 8.921 -8.417 642 HD2 LYS 75 2HD LYS 75 -7.039 9.880 -10.493 643 HD3 LYS 75 1HD LYS 75 -7.899 8.347 -10.627 644 HE2 LYS 75 2HE LYS 75 -9.206 11.062 -10.372 645 HE3 LYS 75 1HE LYS 75 -9.008 10.161 -11.872 646 HZ1 LYS 75 3HZ LYS 75 -10.579 9.207 -9.517 647 HZ2 LYS 75 1HZ LYS 75 -10.404 8.413 -10.982 648 HZ3 LYS 75 2HZ LYS 75 -11.228 9.868 -10.908 649 H LYS 76 H LYS 76 -5.506 11.529 -5.684 650 HA LYS 76 HA LYS 76 -6.301 14.330 -5.800 651 HB2 LYS 76 2HB LYS 76 -7.209 13.046 -3.966 652 HB3 LYS 76 1HB LYS 76 -5.600 12.575 -3.450 653 HG2 LYS 76 2HG LYS 76 -5.091 14.895 -2.863 654 HG3 LYS 76 1HG LYS 76 -6.684 15.394 -3.425 655 HD2 LYS 76 2HD LYS 76 -6.243 13.387 -1.212 656 HD3 LYS 76 1HD LYS 76 -6.470 15.108 -0.931 657 HE2 LYS 76 2HE LYS 76 -8.452 13.344 -2.378 658 HE3 LYS 76 1HE LYS 76 -8.545 13.736 -0.665 659 HZ1 LYS 76 3HZ LYS 76 -9.962 15.153 -2.011 660 HZ2 LYS 76 1HZ LYS 76 -8.631 15.711 -2.886 661 HZ3 LYS 76 2HZ LYS 76 -8.747 16.065 -1.253 662 H ILE 77 H ILE 77 -3.435 12.415 -4.777 663 HA ILE 77 HA ILE 77 -1.901 14.912 -5.147 664 HB ILE 77 HB ILE 77 -0.268 14.046 -3.452 665 HG12 ILE 77 2HG1 ILE 77 -2.480 12.056 -2.842 666 HG13 ILE 77 1HG1 ILE 77 -0.911 11.665 -3.528 667 HG21 ILE 77 1HG2 ILE 77 -1.867 15.782 -2.884 668 HG22 ILE 77 2HG2 ILE 77 -1.592 14.713 -1.508 669 HG23 ILE 77 3HG2 ILE 77 -3.067 14.555 -2.462 670 HD11 ILE 77 3HD1 ILE 77 -0.980 11.101 -1.179 671 HD12 ILE 77 1HD1 ILE 77 -1.431 12.759 -0.767 672 HD13 ILE 77 2HD1 ILE 77 0.157 12.417 -1.450 673 H GLY 78 H GLY 78 -1.930 11.452 -5.715 674 HA2 GLY 78 2HA GLY 78 -0.746 11.072 -7.973 675 HA3 GLY 78 1HA GLY 78 0.661 11.663 -7.081 676 H ILE 79 H ILE 79 1.057 9.194 -7.958 677 HA ILE 79 HA ILE 79 -0.078 7.347 -6.000 678 HB ILE 79 HB ILE 79 -0.298 6.583 -8.302 679 HG12 ILE 79 2HG1 ILE 79 0.826 4.374 -8.178 680 HG13 ILE 79 1HG1 ILE 79 1.826 4.979 -6.863 681 HG21 ILE 79 1HG2 ILE 79 1.660 6.049 -9.716 682 HG22 ILE 79 2HG2 ILE 79 2.692 6.850 -8.532 683 HG23 ILE 79 3HG2 ILE 79 1.464 7.770 -9.395 684 HD11 ILE 79 3HD1 ILE 79 -0.005 3.573 -6.104 685 HD12 ILE 79 1HD1 ILE 79 -1.168 4.707 -6.786 686 HD13 ILE 79 2HD1 ILE 79 -0.118 5.208 -5.453 687 H GLU 80 H GLU 80 3.041 8.572 -7.141 688 HA GLU 80 HA GLU 80 4.727 6.961 -5.739 689 HB2 GLU 80 2HB GLU 80 5.260 8.464 -7.586 690 HB3 GLU 80 1HB GLU 80 4.891 9.846 -6.569 691 HG2 GLU 80 2HG GLU 80 6.597 9.273 -5.111 692 HG3 GLU 80 1HG GLU 80 6.946 7.819 -6.084 693 H ASN 81 H ASN 81 2.902 9.767 -4.892 694 HA ASN 81 HA ASN 81 4.132 10.419 -2.426 695 HB2 ASN 81 2HB ASN 81 1.312 11.002 -3.344 696 HB3 ASN 81 1HB ASN 81 2.193 11.849 -2.081 697 HD21 ASN 81 1HD2 ASN 81 3.825 13.283 -2.686 698 HD22 ASN 81 2HD2 ASN 81 3.955 13.889 -4.304 699 H VAL 82 H VAL 82 1.210 8.634 -3.338 700 HA VAL 82 HA VAL 82 0.435 8.029 -0.692 701 HB VAL 82 HB VAL 82 -0.352 6.585 -3.253 702 HG11 VAL 82 1HG1 VAL 82 -2.340 5.881 -1.973 703 HG12 VAL 82 2HG1 VAL 82 -1.730 6.730 -0.556 704 HG13 VAL 82 3HG1 VAL 82 -0.867 5.321 -1.169 705 HG21 VAL 82 3HG2 VAL 82 -1.683 8.863 -1.804 706 HG22 VAL 82 1HG2 VAL 82 -2.333 8.014 -3.203 707 HG23 VAL 82 2HG2 VAL 82 -0.852 8.956 -3.357 708 H ASN 83 H ASN 83 2.322 6.328 -3.106 709 HA ASN 83 HA ASN 83 2.658 3.886 -1.807 710 HB2 ASN 83 2HB ASN 83 4.602 5.369 -3.606 711 HB3 ASN 83 1HB ASN 83 4.890 3.738 -3.024 712 HD21 ASN 83 1HD2 ASN 83 4.637 4.597 -5.827 713 HD22 ASN 83 2HD2 ASN 83 3.280 3.719 -6.399 714 H GLN 84 H GLN 84 4.518 6.834 -1.505 715 HA GLN 84 HA GLN 84 6.429 5.943 0.381 716 HB2 GLN 84 2HB GLN 84 6.285 8.135 -1.051 717 HB3 GLN 84 1HB GLN 84 5.326 8.745 0.276 718 HG2 GLN 84 2HG GLN 84 8.208 7.851 0.408 719 HG3 GLN 84 1HG GLN 84 7.640 9.512 0.418 720 HE21 GLN 84 1HE2 GLN 84 8.207 6.698 2.212 721 HE22 GLN 84 2HE2 GLN 84 7.793 7.299 3.785 722 H LEU 85 H LEU 85 3.266 7.515 0.721 723 HA LEU 85 HA LEU 85 3.213 7.729 3.510 724 HB2 LEU 85 2HB LEU 85 0.876 7.386 1.626 725 HB3 LEU 85 1HB LEU 85 0.762 7.924 3.290 726 HG LEU 85 HG LEU 85 2.112 9.405 1.030 727 HD11 LEU 85 1HD1 LEU 85 -0.308 9.448 0.859 728 HD12 LEU 85 2HD1 LEU 85 0.312 11.032 1.317 729 HD13 LEU 85 3HD1 LEU 85 -0.425 9.991 2.531 730 HD21 LEU 85 3HD2 LEU 85 2.355 11.244 2.652 731 HD22 LEU 85 1HD2 LEU 85 3.279 9.818 3.122 732 HD23 LEU 85 2HD2 LEU 85 1.754 10.184 3.928 733 H ILE 86 H ILE 86 2.144 5.090 1.419 734 HA ILE 86 HA ILE 86 1.048 3.469 3.461 735 HB ILE 86 HB ILE 86 2.199 2.644 0.775 736 HG12 ILE 86 2HG1 ILE 86 0.316 4.156 0.505 737 HG13 ILE 86 1HG1 ILE 86 -0.165 2.535 0.035 738 HG21 ILE 86 1HG2 ILE 86 0.450 1.034 2.633 739 HG22 ILE 86 2HG2 ILE 86 2.142 0.717 2.251 740 HG23 ILE 86 3HG2 ILE 86 0.909 0.564 0.996 741 HD11 ILE 86 3HD1 ILE 86 -1.289 2.268 2.219 742 HD12 ILE 86 1HD1 ILE 86 -1.937 3.611 1.274 743 HD13 ILE 86 2HD1 ILE 86 -0.846 3.927 2.619 744 H LEU 87 H LEU 87 4.291 3.693 2.126 745 HA LEU 87 HA LEU 87 5.449 1.587 3.592 746 HB2 LEU 87 2HB LEU 87 6.648 4.120 2.505 747 HB3 LEU 87 1HB LEU 87 7.598 2.819 3.185 748 HG LEU 87 HG LEU 87 5.874 2.655 0.717 749 HD11 LEU 87 1HD1 LEU 87 7.890 3.953 0.370 750 HD12 LEU 87 2HD1 LEU 87 8.023 2.391 -0.443 751 HD13 LEU 87 3HD1 LEU 87 8.864 2.669 1.082 752 HD21 LEU 87 3HD2 LEU 87 5.896 0.532 1.881 753 HD22 LEU 87 1HD2 LEU 87 7.656 0.616 2.023 754 HD23 LEU 87 2HD2 LEU 87 6.908 0.445 0.437 755 H THR 88 H THR 88 5.019 4.965 4.238 756 HA THR 88 HA THR 88 6.365 5.114 6.665 757 HB THR 88 HB THR 88 4.010 6.768 5.707 758 HG1 THR 88 1HG THR 88 5.620 6.964 4.187 759 HG21 THR 88 3HG2 THR 88 6.217 7.426 7.683 760 HG22 THR 88 1HG2 THR 88 4.536 7.099 8.113 761 HG23 THR 88 2HG2 THR 88 4.943 8.527 7.158 762 H THR 89 H THR 89 3.112 3.996 5.919 763 HA THR 89 HA THR 89 2.025 4.034 8.573 764 HB THR 89 HB THR 89 1.246 2.028 6.499 765 HG1 THR 89 1HG THR 89 1.296 4.770 6.109 766 HG21 THR 89 3HG2 THR 89 0.007 2.133 8.587 767 HG22 THR 89 1HG2 THR 89 -1.017 2.625 7.240 768 HG23 THR 89 2HG2 THR 89 -0.332 3.843 8.309 769 H ILE 90 H ILE 90 4.002 1.698 6.679 770 HA ILE 90 HA ILE 90 3.562 -0.430 8.652 771 HB ILE 90 HB ILE 90 5.101 -1.833 7.243 772 HG12 ILE 90 2HG1 ILE 90 4.815 0.400 5.245 773 HG13 ILE 90 1HG1 ILE 90 6.293 -0.003 6.110 774 HG21 ILE 90 1HG2 ILE 90 3.496 -2.271 5.473 775 HG22 ILE 90 2HG2 ILE 90 2.646 -0.795 5.932 776 HG23 ILE 90 3HG2 ILE 90 2.773 -2.141 7.078 777 HD11 ILE 90 3HD1 ILE 90 6.261 -2.199 5.065 778 HD12 ILE 90 1HD1 ILE 90 6.390 -0.882 3.896 779 HD13 ILE 90 2HD1 ILE 90 4.837 -1.728 4.127 780 H LYS 91 H LYS 91 6.157 1.650 7.607 781 HA LYS 91 HA LYS 91 7.999 0.188 9.303 782 HB2 LYS 91 2HB LYS 91 8.553 0.776 6.949 783 HB3 LYS 91 1HB LYS 91 8.489 2.468 7.417 784 HG2 LYS 91 2HG LYS 91 10.322 2.107 8.979 785 HG3 LYS 91 1HG LYS 91 10.376 0.406 8.511 786 HD2 LYS 91 2HD LYS 91 12.086 1.553 7.267 787 HD3 LYS 91 1HD LYS 91 10.743 1.123 6.190 788 HE2 LYS 91 2HE LYS 91 9.897 3.350 6.196 789 HE3 LYS 91 1HE LYS 91 11.016 3.837 7.468 790 HZ1 LYS 91 3HZ LYS 91 12.819 3.618 5.977 791 HZ2 LYS 91 1HZ LYS 91 11.648 4.568 5.240 792 HZ3 LYS 91 2HZ LYS 91 11.875 2.956 4.762 793 H LEU 92 H LEU 92 8.216 0.833 11.287 794 HA LEU 92 HA LEU 92 8.238 2.004 13.180 795 HB2 LEU 92 2HB LEU 92 8.694 4.439 11.437 796 HB3 LEU 92 1HB LEU 92 8.914 4.376 13.172 797 HG LEU 92 HG LEU 92 10.548 2.873 11.129 798 HD11 LEU 92 1HD1 LEU 92 11.232 5.237 12.857 799 HD12 LEU 92 2HD1 LEU 92 10.998 5.249 11.108 800 HD13 LEU 92 3HD1 LEU 92 12.351 4.364 11.814 801 HD21 LEU 92 3HD2 LEU 92 10.372 1.612 13.206 802 HD22 LEU 92 1HD2 LEU 92 10.838 3.044 14.128 803 HD23 LEU 92 2HD2 LEU 92 11.988 2.289 13.026 804 H GLU 93 H GLU 93 6.178 1.494 13.606 805 HA GLU 93 HA GLU 93 3.890 2.662 12.626 806 HB2 GLU 93 2HB GLU 93 4.056 0.540 13.940 807 HB3 GLU 93 1HB GLU 93 4.274 1.503 15.392 808 HG2 GLU 93 2HG GLU 93 2.042 2.500 15.013 809 HG3 GLU 93 1HG GLU 93 1.834 1.435 13.623 810 H HIS 94 H HIS 94 2.524 4.249 13.391 811 HA HIS 94 HA HIS 94 3.797 6.536 14.643 812 HB2 HIS 94 2HB HIS 94 2.336 6.749 12.624 813 HB3 HIS 94 1HB HIS 94 0.978 6.155 13.555 814 HD1 HIS 94 1HD HIS 94 3.304 9.212 13.477 815 HD2 HIS 94 2HD HIS 94 -0.527 8.128 14.670 816 HE1 HIS 94 1HE HIS 94 2.177 11.325 14.106 817 HE2 HIS 94 2HE HIS 94 -0.220 10.635 14.355 818 H HIS 95 H HIS 95 3.107 4.020 16.100 819 HA HIS 95 HA HIS 95 2.257 5.179 18.561 820 HB2 HIS 95 2HB HIS 95 0.053 4.554 17.587 821 HB3 HIS 95 1HB HIS 95 0.674 2.952 17.223 822 HD1 HIS 95 1HD HIS 95 0.522 1.207 19.038 823 HD2 HIS 95 2HD HIS 95 -0.324 5.033 20.413 824 HE1 HIS 95 1HE HIS 95 -0.281 0.909 21.391 825 HE2 HIS 95 2HE HIS 95 -0.496 3.252 22.269 826 H HIS 96 H HIS 96 3.227 3.956 20.188 827 HA HIS 96 HA HIS 96 3.794 1.193 19.627 828 HB2 HIS 96 2HB HIS 96 5.890 2.472 18.885 829 HB3 HIS 96 1HB HIS 96 6.143 2.861 20.583 830 HD1 HIS 96 1HD HIS 96 7.632 1.217 21.777 831 HD2 HIS 96 2HD HIS 96 5.700 -0.483 18.516 832 HE1 HIS 96 1HE HIS 96 8.505 -1.123 21.612 833 HE2 HIS 96 2HE HIS 96 7.277 -2.157 19.689 834 H HIS 97 H HIS 97 5.361 3.070 22.186 835 HA HIS 97 HA HIS 97 3.153 2.640 23.962 836 HB2 HIS 97 2HB HIS 97 4.458 0.455 23.985 837 HB3 HIS 97 1HB HIS 97 5.816 1.355 24.651 838 HD1 HIS 97 1HD HIS 97 5.945 0.918 27.095 839 HD2 HIS 97 2HD HIS 97 2.013 1.165 25.793 840 HE1 HIS 97 1HE HIS 97 4.538 0.677 29.152 841 HE2 HIS 97 2HE HIS 97 2.181 0.984 28.364 842 H HIS 98 H HIS 98 4.713 4.707 22.744 843 HA HIS 98 HA HIS 98 5.461 6.211 25.124 844 HB2 HIS 98 2HB HIS 98 7.587 5.306 24.249 845 HB3 HIS 98 1HB HIS 98 7.223 5.961 22.665 846 HD1 HIS 98 1HD HIS 98 8.223 8.191 22.188 847 HD2 HIS 98 2HD HIS 98 7.976 7.449 26.269 848 HE1 HIS 98 1HE HIS 98 9.452 10.055 23.287 849 HE2 HIS 98 2HE HIS 98 9.552 9.415 25.686 850 H HIS 99 H HIS 99 4.943 6.188 21.587 851 HA HIS 99 HA HIS 99 3.096 8.359 21.883 852 HB2 HIS 99 2HB HIS 99 5.577 9.204 21.475 853 HB3 HIS 99 1HB HIS 99 5.307 8.603 19.854 854 HD1 HIS 99 1HD HIS 99 5.760 11.280 19.419 855 HD2 HIS 99 2HD HIS 99 2.110 10.221 21.081 856 HE1 HIS 99 1HE HIS 99 4.285 13.284 19.145 857 HE2 HIS 99 2HE HIS 99 2.245 12.709 20.473 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -6.894 17.823 3.509 2 H2 MET 1 2HT MET 1 -7.766 17.786 4.953 3 H3 MET 1 3HT MET 1 -7.782 16.448 3.879 4 HA MET 1 HA MET 1 -5.350 17.466 5.205 5 HB2 MET 1 2HB MET 1 -6.840 14.869 5.741 6 HB3 MET 1 1HB MET 1 -5.419 15.426 6.572 7 HG2 MET 1 2HG MET 1 -7.192 15.699 8.068 8 HG3 MET 1 1HG MET 1 -6.839 17.316 7.465 9 HE1 MET 1 2HE MET 1 -9.515 16.393 8.991 10 HE2 MET 1 3HE MET 1 -10.745 17.252 8.063 11 HE3 MET 1 1HE MET 1 -9.234 18.054 8.482 12 H SER 2 H SER 2 -4.073 15.017 5.145 13 HA SER 2 HA SER 2 -4.455 14.012 2.457 14 HB2 SER 2 2HB SER 2 -1.795 14.845 3.644 15 HB3 SER 2 1HB SER 2 -2.014 14.042 2.085 16 HG SER 2 HG SER 2 -3.584 15.934 1.816 17 H ILE 3 H ILE 3 -4.943 12.015 2.711 18 HA ILE 3 HA ILE 3 -4.853 9.858 3.025 19 HB ILE 3 HB ILE 3 -2.233 10.240 3.014 20 HG12 ILE 3 2HG1 ILE 3 -1.872 7.801 3.451 21 HG13 ILE 3 1HG1 ILE 3 -3.536 7.712 4.010 22 HG21 ILE 3 1HG2 ILE 3 -1.087 9.378 5.018 23 HG22 ILE 3 2HG2 ILE 3 -2.634 9.289 5.857 24 HG23 ILE 3 3HG2 ILE 3 -1.984 10.854 5.378 25 HD11 ILE 3 3HD1 ILE 3 -3.276 6.934 1.718 26 HD12 ILE 3 1HD1 ILE 3 -2.655 8.510 1.246 27 HD13 ILE 3 2HD1 ILE 3 -4.326 8.345 1.791 28 H LEU 4 H LEU 4 -4.483 11.786 5.853 29 HA LEU 4 HA LEU 4 -5.483 9.801 7.687 30 HB2 LEU 4 2HB LEU 4 -5.153 12.780 7.994 31 HB3 LEU 4 1HB LEU 4 -5.592 11.692 9.291 32 HG LEU 4 HG LEU 4 -2.977 11.650 7.781 33 HD11 LEU 4 1HD1 LEU 4 -2.026 12.468 9.877 34 HD12 LEU 4 2HD1 LEU 4 -3.643 12.565 10.572 35 HD13 LEU 4 3HD1 LEU 4 -3.201 13.600 9.211 36 HD21 LEU 4 3HD2 LEU 4 -3.893 10.071 10.187 37 HD22 LEU 4 1HD2 LEU 4 -2.270 10.052 9.496 38 HD23 LEU 4 2HD2 LEU 4 -3.631 9.431 8.564 39 H GLU 5 H GLU 5 -7.079 10.899 5.299 40 HA GLU 5 HA GLU 5 -9.550 11.773 6.648 41 HB2 GLU 5 2HB GLU 5 -8.990 11.542 3.702 42 HB3 GLU 5 1HB GLU 5 -10.226 12.508 4.498 43 HG2 GLU 5 2HG GLU 5 -8.649 14.043 5.292 44 HG3 GLU 5 1HG GLU 5 -7.302 12.986 4.865 45 H ASP 6 H ASP 6 -7.929 9.077 5.567 46 HA ASP 6 HA ASP 6 -10.236 7.798 4.362 47 HB2 ASP 6 2HB ASP 6 -8.068 7.914 3.153 48 HB3 ASP 6 1HB ASP 6 -7.378 6.887 4.406 49 HA PRO 7 HA PRO 7 -10.702 5.452 8.184 50 HB2 PRO 7 2HB PRO 7 -12.584 3.763 6.762 51 HB3 PRO 7 1HB PRO 7 -12.896 4.910 8.064 52 HG2 PRO 7 2HG PRO 7 -13.700 5.278 5.481 53 HG3 PRO 7 1HG PRO 7 -13.393 6.601 6.618 54 HD2 PRO 7 2HD PRO 7 -11.704 5.584 4.375 55 HD3 PRO 7 1HD PRO 7 -11.939 7.234 4.999 56 H GLU 8 H GLU 8 -9.944 4.052 5.051 57 HA GLU 8 HA GLU 8 -9.524 1.436 6.117 58 HB2 GLU 8 2HB GLU 8 -8.686 2.631 3.464 59 HB3 GLU 8 1HB GLU 8 -8.641 0.916 3.872 60 HG2 GLU 8 2HG GLU 8 -11.070 2.668 3.598 61 HG3 GLU 8 1HG GLU 8 -10.539 1.414 2.477 62 H PHE 9 H PHE 9 -7.691 4.250 5.270 63 HA PHE 9 HA PHE 9 -5.098 3.303 5.672 64 HB2 PHE 9 2HB PHE 9 -5.542 5.479 4.653 65 HB3 PHE 9 1HB PHE 9 -6.154 6.087 6.187 66 HD1 PHE 9 2HD PHE 9 -3.136 4.830 4.485 67 HD2 PHE 9 1HD PHE 9 -4.691 6.966 7.817 68 HE1 PHE 9 2HE PHE 9 -0.867 5.510 5.106 69 HE2 PHE 9 1HE PHE 9 -2.411 7.648 8.447 70 HZ PHE 9 HZ PHE 9 -0.498 6.920 7.089 71 H VAL 10 H VAL 10 -7.302 4.700 8.026 72 HA VAL 10 HA VAL 10 -5.424 4.572 10.133 73 HB VAL 10 HB VAL 10 -7.411 6.071 10.250 74 HG11 VAL 10 1HG1 VAL 10 -9.584 5.253 10.960 75 HG12 VAL 10 2HG1 VAL 10 -9.005 3.595 10.799 76 HG13 VAL 10 3HG1 VAL 10 -9.122 4.628 9.376 77 HG21 VAL 10 3HG2 VAL 10 -7.932 5.748 12.636 78 HG22 VAL 10 1HG2 VAL 10 -6.207 5.635 12.278 79 HG23 VAL 10 2HG2 VAL 10 -7.142 4.169 12.561 80 H LYS 11 H LYS 11 -7.820 2.281 8.975 81 HA LYS 11 HA LYS 11 -7.293 0.403 11.031 82 HB2 LYS 11 2HB LYS 11 -8.648 0.066 8.350 83 HB3 LYS 11 1HB LYS 11 -8.486 -1.250 9.510 84 HG2 LYS 11 2HG LYS 11 -9.674 0.159 11.182 85 HG3 LYS 11 1HG LYS 11 -9.937 1.353 9.927 86 HD2 LYS 11 2HD LYS 11 -10.945 -1.493 9.732 87 HD3 LYS 11 1HD LYS 11 -11.883 -0.196 10.445 88 HE2 LYS 11 2HE LYS 11 -12.681 -0.352 8.252 89 HE3 LYS 11 1HE LYS 11 -11.589 1.021 8.222 90 HZ1 LYS 11 3HZ LYS 11 -11.277 -0.258 6.314 91 HZ2 LYS 11 1HZ LYS 11 -11.084 -1.707 7.148 92 HZ3 LYS 11 2HZ LYS 11 -9.888 -0.531 7.232 93 H LEU 12 H LEU 12 -5.801 1.067 7.961 94 HA LEU 12 HA LEU 12 -4.202 -1.221 7.744 95 HB2 LEU 12 2HB LEU 12 -3.686 1.615 6.905 96 HB3 LEU 12 1HB LEU 12 -2.537 0.330 6.611 97 HG LEU 12 HG LEU 12 -5.346 0.415 5.506 98 HD11 LEU 12 1HD1 LEU 12 -2.658 0.970 4.257 99 HD12 LEU 12 2HD1 LEU 12 -3.918 2.168 4.559 100 HD13 LEU 12 3HD1 LEU 12 -4.187 0.868 3.397 101 HD21 LEU 12 3HD2 LEU 12 -4.385 -1.850 5.840 102 HD22 LEU 12 1HD2 LEU 12 -3.004 -1.366 4.866 103 HD23 LEU 12 2HD2 LEU 12 -4.603 -1.439 4.134 104 H ARG 13 H ARG 13 -3.734 1.712 9.613 105 HA ARG 13 HA ARG 13 -1.096 0.951 10.423 106 HB2 ARG 13 2HB ARG 13 -2.948 2.968 11.682 107 HB3 ARG 13 1HB ARG 13 -1.260 2.745 12.125 108 HG2 ARG 13 2HG ARG 13 -0.662 3.277 9.788 109 HG3 ARG 13 1HG ARG 13 -2.356 3.715 9.496 110 HD2 ARG 13 2HD ARG 13 -0.420 4.940 11.437 111 HD3 ARG 13 1HD ARG 13 -1.051 5.680 9.969 112 HE ARG 13 HE ARG 13 -3.105 4.930 11.836 113 HH11 ARG 13 1HH1 ARG 13 -0.816 7.531 11.045 114 HH12 ARG 13 2HH1 ARG 13 -1.672 8.713 11.902 115 HH21 ARG 13 1HH2 ARG 13 -4.257 6.550 12.986 116 HH22 ARG 13 2HH2 ARG 13 -3.694 8.158 13.014 117 H GLN 14 H GLN 14 -4.248 0.308 11.603 118 HA GLN 14 HA GLN 14 -3.349 -0.762 14.125 119 HB2 GLN 14 2HB GLN 14 -5.980 -1.166 12.687 120 HB3 GLN 14 1HB GLN 14 -5.640 -1.698 14.324 121 HG2 GLN 14 2HG GLN 14 -5.256 0.676 14.942 122 HG3 GLN 14 1HG GLN 14 -5.809 1.133 13.329 123 HE21 GLN 14 1HE2 GLN 14 -7.802 -1.063 13.311 124 HE22 GLN 14 2HE2 GLN 14 -9.070 -0.559 14.333 125 H PHE 15 H PHE 15 -3.710 -1.866 10.936 126 HA PHE 15 HA PHE 15 -3.514 -4.675 11.561 127 HB2 PHE 15 2HB PHE 15 -4.744 -3.667 9.566 128 HB3 PHE 15 1HB PHE 15 -3.170 -3.298 8.884 129 HD1 PHE 15 2HD PHE 15 -1.747 -5.098 8.023 130 HD2 PHE 15 1HD PHE 15 -5.584 -5.889 9.649 131 HE1 PHE 15 2HE PHE 15 -1.719 -7.333 7.002 132 HE2 PHE 15 1HE PHE 15 -5.564 -8.124 8.633 133 HZ PHE 15 HZ PHE 15 -3.628 -8.846 7.302 134 H LYS 16 H LYS 16 -1.503 -2.046 10.406 135 HA LYS 16 HA LYS 16 0.640 -1.546 10.483 136 HB2 LYS 16 2HB LYS 16 0.911 -2.601 12.650 137 HB3 LYS 16 1HB LYS 16 1.072 -4.183 11.906 138 HG2 LYS 16 2HG LYS 16 3.163 -3.437 10.811 139 HG3 LYS 16 1HG LYS 16 3.005 -1.881 11.617 140 HD2 LYS 16 2HD LYS 16 3.173 -4.505 13.073 141 HD3 LYS 16 1HD LYS 16 4.580 -3.500 12.724 142 HE2 LYS 16 2HE LYS 16 3.681 -1.712 13.994 143 HE3 LYS 16 1HE LYS 16 2.157 -2.566 14.253 144 HZ1 LYS 16 3HZ LYS 16 4.811 -3.101 15.452 145 HZ2 LYS 16 1HZ LYS 16 3.602 -4.295 15.394 146 HZ3 LYS 16 2HZ LYS 16 3.292 -2.866 16.172 147 H GLY 17 H GLY 17 -0.157 -4.667 9.280 148 HA2 GLY 17 2HA GLY 17 0.333 -4.502 6.741 149 HA3 GLY 17 1HA GLY 17 1.984 -4.372 7.317 150 H LYS 18 H LYS 18 2.290 -6.081 9.243 151 HA LYS 18 HA LYS 18 2.893 -8.192 9.663 152 HB2 LYS 18 2HB LYS 18 0.145 -8.719 8.534 153 HB3 LYS 18 1HB LYS 18 1.070 -9.862 9.509 154 HG2 LYS 18 2HG LYS 18 0.978 -8.483 11.411 155 HG3 LYS 18 1HG LYS 18 0.403 -7.109 10.473 156 HD2 LYS 18 2HD LYS 18 -1.465 -7.995 11.672 157 HD3 LYS 18 1HD LYS 18 -1.607 -8.404 9.957 158 HE2 LYS 18 2HE LYS 18 -0.778 -10.659 10.417 159 HE3 LYS 18 1HE LYS 18 -0.576 -10.255 12.118 160 HZ1 LYS 18 3HZ LYS 18 -3.016 -9.892 12.217 161 HZ2 LYS 18 1HZ LYS 18 -2.583 -11.474 11.799 162 HZ3 LYS 18 2HZ LYS 18 -3.120 -10.417 10.615 163 H VAL 19 H VAL 19 3.576 -7.073 7.160 164 HA VAL 19 HA VAL 19 4.009 -9.416 5.461 165 HB VAL 19 HB VAL 19 3.845 -7.826 3.477 166 HG11 VAL 19 1HG1 VAL 19 2.060 -9.415 3.967 167 HG12 VAL 19 2HG1 VAL 19 1.403 -7.889 3.366 168 HG13 VAL 19 3HG1 VAL 19 1.336 -8.262 5.088 169 HG21 VAL 19 3HG2 VAL 19 4.028 -5.734 4.703 170 HG22 VAL 19 1HG2 VAL 19 2.507 -6.068 5.529 171 HG23 VAL 19 2HG2 VAL 19 2.520 -5.787 3.788 172 H ASN 20 H ASN 20 5.774 -8.975 3.893 173 HA ASN 20 HA ASN 20 8.111 -7.917 5.180 174 HB2 ASN 20 2HB ASN 20 7.996 -9.903 3.493 175 HB3 ASN 20 1HB ASN 20 7.811 -8.630 2.289 176 HD21 ASN 20 1HD2 ASN 20 9.897 -10.602 2.574 177 HD22 ASN 20 2HD2 ASN 20 11.386 -9.746 2.679 178 H PHE 21 H PHE 21 8.667 -5.857 5.111 179 HA PHE 21 HA PHE 21 7.402 -3.754 3.843 180 HB2 PHE 21 2HB PHE 21 8.933 -3.371 5.690 181 HB3 PHE 21 1HB PHE 21 10.280 -4.012 4.764 182 HD1 PHE 21 1HD PHE 21 11.354 -2.677 3.043 183 HD2 PHE 21 2HD PHE 21 8.087 -1.139 5.282 184 HE1 PHE 21 1HE PHE 21 11.862 -0.431 2.226 185 HE2 PHE 21 2HE PHE 21 8.593 1.121 4.468 186 HZ PHE 21 HZ PHE 21 10.485 1.471 2.920 187 H ASN 22 H ASN 22 9.971 -5.814 2.705 188 HA ASN 22 HA ASN 22 10.796 -4.124 0.545 189 HB2 ASN 22 2HB ASN 22 11.362 -7.051 1.048 190 HB3 ASN 22 1HB ASN 22 12.142 -6.072 -0.188 191 HD21 ASN 22 1HD2 ASN 22 11.900 -6.748 3.203 192 HD22 ASN 22 2HD2 ASN 22 13.285 -5.863 3.697 193 H LEU 23 H LEU 23 8.534 -6.667 0.973 194 HA LEU 23 HA LEU 23 8.169 -7.090 -1.816 195 HB2 LEU 23 2HB LEU 23 7.789 -8.883 -0.170 196 HB3 LEU 23 1HB LEU 23 6.478 -7.940 0.514 197 HG LEU 23 HG LEU 23 5.130 -8.244 -1.465 198 HD11 LEU 23 1HD1 LEU 23 6.923 -8.170 -3.140 199 HD12 LEU 23 2HD1 LEU 23 5.907 -9.590 -3.343 200 HD13 LEU 23 3HD1 LEU 23 7.496 -9.745 -2.590 201 HD21 LEU 23 3HD2 LEU 23 6.417 -10.841 -0.677 202 HD22 LEU 23 1HD2 LEU 23 4.810 -10.632 -1.367 203 HD23 LEU 23 2HD2 LEU 23 5.174 -10.013 0.252 204 H VAL 24 H VAL 24 6.477 -5.353 0.761 205 HA VAL 24 HA VAL 24 4.327 -4.427 -0.823 206 HB VAL 24 HB VAL 24 5.580 -3.015 1.553 207 HG11 VAL 24 1HG1 VAL 24 2.823 -2.733 0.351 208 HG12 VAL 24 2HG1 VAL 24 4.116 -1.539 0.265 209 HG13 VAL 24 3HG1 VAL 24 3.390 -1.939 1.821 210 HG21 VAL 24 3HG2 VAL 24 3.841 -4.105 2.864 211 HG22 VAL 24 1HG2 VAL 24 4.917 -5.274 2.102 212 HG23 VAL 24 2HG2 VAL 24 3.314 -4.978 1.425 213 H MET 25 H MET 25 7.477 -3.018 -0.095 214 HA MET 25 HA MET 25 7.242 -0.625 -1.519 215 HB2 MET 25 2HB MET 25 9.094 -1.078 0.015 216 HB3 MET 25 1HB MET 25 9.717 -2.328 -1.032 217 HG2 MET 25 2HG MET 25 10.189 -0.625 -2.747 218 HG3 MET 25 1HG MET 25 9.573 0.616 -1.659 219 HE1 MET 25 3HE MET 25 11.805 -2.562 -0.770 220 HE2 MET 25 1HE MET 25 13.415 -1.856 -0.890 221 HE3 MET 25 2HE MET 25 12.413 -2.016 -2.333 222 H GLN 26 H GLN 26 7.994 -3.851 -2.601 223 HA GLN 26 HA GLN 26 8.584 -3.140 -5.300 224 HB2 GLN 26 2HB GLN 26 9.505 -5.170 -4.397 225 HB3 GLN 26 1HB GLN 26 7.905 -5.768 -3.985 226 HG2 GLN 26 2HG GLN 26 7.352 -5.895 -6.372 227 HG3 GLN 26 1HG GLN 26 8.981 -5.352 -6.764 228 HE21 GLN 26 1HE2 GLN 26 9.342 -7.266 -7.899 229 HE22 GLN 26 2HE2 GLN 26 9.620 -8.762 -7.103 230 H ILE 27 H ILE 27 5.694 -4.382 -3.616 231 HA ILE 27 HA ILE 27 3.980 -4.715 -5.814 232 HB ILE 27 HB ILE 27 3.258 -3.701 -3.038 233 HG12 ILE 27 2HG1 ILE 27 4.338 -5.889 -2.916 234 HG13 ILE 27 1HG1 ILE 27 2.636 -6.030 -2.512 235 HG21 ILE 27 1HG2 ILE 27 0.973 -4.487 -3.460 236 HG22 ILE 27 2HG2 ILE 27 1.429 -4.898 -5.111 237 HG23 ILE 27 3HG2 ILE 27 1.455 -3.214 -4.585 238 HD11 ILE 27 3HD1 ILE 27 3.357 -7.886 -3.875 239 HD12 ILE 27 1HD1 ILE 27 3.912 -6.780 -5.132 240 HD13 ILE 27 2HD1 ILE 27 2.194 -6.895 -4.756 241 H LEU 28 H LEU 28 4.501 -1.918 -3.769 242 HA LEU 28 HA LEU 28 2.827 -0.084 -5.063 243 HB2 LEU 28 2HB LEU 28 5.374 0.412 -3.542 244 HB3 LEU 28 1HB LEU 28 4.143 1.606 -3.889 245 HG LEU 28 HG LEU 28 3.751 -0.829 -2.151 246 HD11 LEU 28 1HD1 LEU 28 3.749 0.749 -0.299 247 HD12 LEU 28 2HD1 LEU 28 4.143 2.056 -1.421 248 HD13 LEU 28 3HD1 LEU 28 5.284 0.740 -1.166 249 HD21 LEU 28 3HD2 LEU 28 1.665 -0.105 -3.206 250 HD22 LEU 28 1HD2 LEU 28 1.956 1.549 -2.659 251 HD23 LEU 28 2HD2 LEU 28 1.661 0.271 -1.484 252 H ASP 29 H ASP 29 6.201 -0.898 -5.507 253 HA ASP 29 HA ASP 29 6.953 1.066 -7.400 254 HB2 ASP 29 2HB ASP 29 8.514 -0.441 -6.134 255 HB3 ASP 29 1HB ASP 29 7.919 -1.746 -7.095 256 H GLU 30 H GLU 30 5.849 -2.182 -7.688 257 HA GLU 30 HA GLU 30 6.098 -2.509 -10.457 258 HB2 GLU 30 2HB GLU 30 5.753 -4.190 -8.486 259 HB3 GLU 30 1HB GLU 30 4.052 -3.995 -8.863 260 HG2 GLU 30 2HG GLU 30 4.447 -4.805 -11.129 261 HG3 GLU 30 1HG GLU 30 6.176 -4.909 -10.774 262 H ILE 31 H ILE 31 3.229 -1.568 -8.492 263 HA ILE 31 HA ILE 31 1.620 -1.214 -10.814 264 HB ILE 31 HB ILE 31 0.011 0.006 -9.374 265 HG12 ILE 31 2HG1 ILE 31 2.062 -0.363 -7.181 266 HG13 ILE 31 1HG1 ILE 31 1.621 1.169 -7.920 267 HG21 ILE 31 1HG2 ILE 31 1.060 -2.510 -8.118 268 HG22 ILE 31 2HG2 ILE 31 -0.107 -2.406 -9.445 269 HG23 ILE 31 3HG2 ILE 31 -0.525 -1.806 -7.838 270 HD11 ILE 31 3HD1 ILE 31 -0.643 0.929 -7.036 271 HD12 ILE 31 1HD1 ILE 31 0.571 0.895 -5.754 272 HD13 ILE 31 2HD1 ILE 31 -0.182 -0.604 -6.300 273 H GLU 32 H GLU 32 3.682 0.909 -8.930 274 HA GLU 32 HA GLU 32 2.968 3.399 -9.948 275 HB2 GLU 32 2HB GLU 32 4.369 3.082 -7.983 276 HB3 GLU 32 1HB GLU 32 5.628 2.368 -8.967 277 HG2 GLU 32 2HG GLU 32 5.964 4.497 -10.080 278 HG3 GLU 32 1HG GLU 32 4.695 5.225 -9.090 279 H LEU 33 H LEU 33 5.541 1.210 -10.999 280 HA LEU 33 HA LEU 33 6.337 2.831 -13.145 281 HB2 LEU 33 2HB LEU 33 7.692 0.935 -13.935 282 HB3 LEU 33 1HB LEU 33 7.928 1.278 -12.249 283 HG LEU 33 HG LEU 33 6.322 -0.703 -11.816 284 HD11 LEU 33 1HD1 LEU 33 5.479 -1.002 -14.067 285 HD12 LEU 33 2HD1 LEU 33 6.321 -2.450 -13.515 286 HD13 LEU 33 3HD1 LEU 33 7.109 -1.348 -14.644 287 HD21 LEU 33 3HD2 LEU 33 8.179 -2.301 -11.960 288 HD22 LEU 33 1HD2 LEU 33 8.682 -0.751 -11.283 289 HD23 LEU 33 2HD2 LEU 33 9.072 -1.154 -12.956 290 H ASP 34 H ASP 34 3.911 0.355 -12.981 291 HA ASP 34 HA ASP 34 3.528 0.255 -15.824 292 HB2 ASP 34 2HB ASP 34 2.828 -1.662 -14.527 293 HB3 ASP 34 1HB ASP 34 1.748 -0.664 -13.557 294 H LEU 35 H LEU 35 1.817 1.765 -13.171 295 HA LEU 35 HA LEU 35 -0.242 3.003 -14.604 296 HB2 LEU 35 2HB LEU 35 -0.387 2.685 -12.253 297 HB3 LEU 35 1HB LEU 35 1.054 3.634 -11.974 298 HG LEU 35 HG LEU 35 -0.193 5.645 -12.764 299 HD11 LEU 35 1HD1 LEU 35 -2.608 5.583 -12.857 300 HD12 LEU 35 2HD1 LEU 35 -2.566 3.825 -12.731 301 HD13 LEU 35 3HD1 LEU 35 -1.858 4.627 -14.132 302 HD21 LEU 35 3HD2 LEU 35 -1.584 5.812 -10.697 303 HD22 LEU 35 1HD2 LEU 35 0.082 5.285 -10.435 304 HD23 LEU 35 2HD2 LEU 35 -1.207 4.107 -10.401 305 H ARG 36 H ARG 36 2.901 4.261 -13.533 306 HA ARG 36 HA ARG 36 4.125 6.070 -14.050 307 HB2 ARG 36 2HB ARG 36 2.563 5.923 -16.628 308 HB3 ARG 36 1HB ARG 36 3.887 7.050 -16.370 309 HG2 ARG 36 2HG ARG 36 4.046 4.042 -16.351 310 HG3 ARG 36 1HG ARG 36 4.688 5.128 -17.588 311 HD2 ARG 36 2HD ARG 36 5.613 4.830 -14.725 312 HD3 ARG 36 1HD ARG 36 6.521 4.475 -16.186 313 HE ARG 36 HE ARG 36 5.942 7.061 -16.494 314 HH11 ARG 36 1HH1 ARG 36 7.560 5.252 -13.856 315 HH12 ARG 36 2HH1 ARG 36 8.344 6.617 -13.256 316 HH21 ARG 36 1HH2 ARG 36 7.051 8.922 -15.590 317 HH22 ARG 36 2HH2 ARG 36 8.067 8.728 -14.249 318 H GLY 37 H GLY 37 1.317 6.278 -13.033 319 HA2 GLY 37 2HA GLY 37 0.105 7.956 -12.005 320 HA3 GLY 37 1HA GLY 37 1.279 9.112 -12.623 321 H SER 38 H SER 38 -0.036 7.086 -15.083 322 HA SER 38 HA SER 38 -1.842 9.273 -15.770 323 HB2 SER 38 2HB SER 38 -1.113 8.875 -18.146 324 HB3 SER 38 1HB SER 38 0.078 9.600 -17.061 325 HG SER 38 HG SER 38 0.766 7.814 -18.446 326 H ASP 39 H ASP 39 -1.254 5.755 -16.404 327 HA ASP 39 HA ASP 39 -3.694 5.758 -17.919 328 HB2 ASP 39 2HB ASP 39 -1.793 4.383 -18.708 329 HB3 ASP 39 1HB ASP 39 -2.021 3.308 -17.332 330 H ASN 40 H ASN 40 -3.318 2.880 -15.962 331 HA ASN 40 HA ASN 40 -5.671 3.667 -14.424 332 HB2 ASN 40 2HB ASN 40 -5.540 1.215 -16.188 333 HB3 ASN 40 1HB ASN 40 -6.709 1.406 -14.897 334 HD21 ASN 40 1HD2 ASN 40 -5.718 2.436 -18.020 335 HD22 ASN 40 2HD2 ASN 40 -7.179 3.234 -18.472 336 H ILE 41 H ILE 41 -4.963 3.418 -12.449 337 HA ILE 41 HA ILE 41 -2.872 1.596 -11.785 338 HB ILE 41 HB ILE 41 -3.103 3.707 -10.560 339 HG12 ILE 41 2HG1 ILE 41 -3.516 1.305 -8.766 340 HG13 ILE 41 1HG1 ILE 41 -1.981 1.824 -9.446 341 HG21 ILE 41 1HG2 ILE 41 -5.711 2.586 -9.640 342 HG22 ILE 41 2HG2 ILE 41 -5.409 4.094 -10.520 343 HG23 ILE 41 3HG2 ILE 41 -4.879 3.922 -8.847 344 HD11 ILE 41 3HD1 ILE 41 -2.146 2.482 -7.153 345 HD12 ILE 41 1HD1 ILE 41 -3.665 3.330 -7.472 346 HD13 ILE 41 2HD1 ILE 41 -2.162 3.911 -8.193 347 H LYS 42 H LYS 42 -6.307 1.544 -11.677 348 HA LYS 42 HA LYS 42 -6.750 -0.693 -10.041 349 HB2 LYS 42 2HB LYS 42 -8.839 -1.005 -11.424 350 HB3 LYS 42 1HB LYS 42 -8.653 0.593 -10.719 351 HG2 LYS 42 2HG LYS 42 -7.986 1.532 -12.828 352 HG3 LYS 42 1HG LYS 42 -7.860 -0.070 -13.547 353 HD2 LYS 42 2HD LYS 42 -10.444 1.043 -12.485 354 HD3 LYS 42 1HD LYS 42 -9.919 1.282 -14.154 355 HE2 LYS 42 2HE LYS 42 -10.314 -1.398 -12.813 356 HE3 LYS 42 1HE LYS 42 -11.458 -0.632 -13.905 357 HZ1 LYS 42 3HZ LYS 42 -8.670 -1.417 -14.700 358 HZ2 LYS 42 1HZ LYS 42 -9.865 -0.769 -15.681 359 HZ3 LYS 42 2HZ LYS 42 -10.064 -2.286 -15.035 360 H THR 43 H THR 43 -5.797 -0.423 -13.388 361 HA THR 43 HA THR 43 -6.076 -3.197 -13.901 362 HB THR 43 HB THR 43 -4.698 -1.044 -15.524 363 HG1 THR 43 1HG THR 43 -6.965 -1.261 -16.543 364 HG21 THR 43 3HG2 THR 43 -5.298 -2.498 -17.425 365 HG22 THR 43 1HG2 THR 43 -6.045 -3.649 -16.318 366 HG23 THR 43 2HG2 THR 43 -4.301 -3.386 -16.274 367 H SER 44 H SER 44 -3.472 -0.897 -13.103 368 HA SER 44 HA SER 44 -1.270 -2.545 -13.344 369 HB2 SER 44 2HB SER 44 -1.761 -0.463 -11.207 370 HB3 SER 44 1HB SER 44 -0.200 -0.992 -11.836 371 HG SER 44 HG SER 44 -0.856 -0.200 -13.876 372 H ILE 45 H ILE 45 -3.530 -2.040 -10.653 373 HA ILE 45 HA ILE 45 -2.444 -3.663 -8.702 374 HB ILE 45 HB ILE 45 -5.332 -3.002 -9.349 375 HG12 ILE 45 2HG1 ILE 45 -3.936 -1.098 -8.657 376 HG13 ILE 45 1HG1 ILE 45 -5.215 -1.423 -7.498 377 HG21 ILE 45 1HG2 ILE 45 -5.416 -5.063 -8.118 378 HG22 ILE 45 2HG2 ILE 45 -5.994 -3.733 -7.111 379 HG23 ILE 45 3HG2 ILE 45 -4.375 -4.387 -6.862 380 HD11 ILE 45 3HD1 ILE 45 -3.106 -0.850 -6.416 381 HD12 ILE 45 1HD1 ILE 45 -2.326 -2.227 -7.188 382 HD13 ILE 45 2HD1 ILE 45 -3.611 -2.490 -6.012 383 H ILE 46 H ILE 46 -4.554 -4.476 -11.411 384 HA ILE 46 HA ILE 46 -5.163 -7.101 -10.738 385 HB ILE 46 HB ILE 46 -4.894 -5.923 -13.520 386 HG12 ILE 46 2HG1 ILE 46 -7.327 -6.286 -11.749 387 HG13 ILE 46 1HG1 ILE 46 -6.512 -4.759 -12.070 388 HG21 ILE 46 1HG2 ILE 46 -6.359 -7.770 -14.243 389 HG22 ILE 46 2HG2 ILE 46 -6.298 -8.451 -12.618 390 HG23 ILE 46 3HG2 ILE 46 -4.832 -8.371 -13.594 391 HD11 ILE 46 3HD1 ILE 46 -8.534 -4.964 -13.389 392 HD12 ILE 46 1HD1 ILE 46 -7.943 -6.470 -14.095 393 HD13 ILE 46 2HD1 ILE 46 -7.116 -4.953 -14.438 394 H TYR 47 H TYR 47 -2.460 -5.916 -12.754 395 HA TYR 47 HA TYR 47 -1.459 -8.475 -13.412 396 HB2 TYR 47 2HB TYR 47 0.269 -6.023 -13.066 397 HB3 TYR 47 1HB TYR 47 0.583 -7.414 -14.081 398 HD1 TYR 47 1HD TYR 47 -1.374 -7.793 -15.934 399 HD2 TYR 47 2HD TYR 47 -0.356 -4.136 -14.055 400 HE1 TYR 47 1HE TYR 47 -2.335 -6.559 -17.837 401 HE2 TYR 47 2HE TYR 47 -1.305 -2.877 -15.899 402 HH TYR 47 HH TYR 47 -1.818 -3.212 -18.254 403 H VAL 48 H VAL 48 -0.510 -6.168 -10.953 404 HA VAL 48 HA VAL 48 1.638 -7.606 -9.891 405 HB VAL 48 HB VAL 48 -0.034 -5.455 -8.577 406 HG11 VAL 48 1HG1 VAL 48 1.336 -6.647 -6.947 407 HG12 VAL 48 2HG1 VAL 48 1.965 -5.018 -7.222 408 HG13 VAL 48 3HG1 VAL 48 2.764 -6.406 -7.955 409 HG21 VAL 48 3HG2 VAL 48 0.849 -4.725 -10.705 410 HG22 VAL 48 1HG2 VAL 48 2.455 -5.293 -10.260 411 HG23 VAL 48 2HG2 VAL 48 1.732 -3.942 -9.396 412 H TYR 49 H TYR 49 -1.729 -7.364 -8.768 413 HA TYR 49 HA TYR 49 -1.277 -8.966 -6.506 414 HB2 TYR 49 2HB TYR 49 -3.808 -8.163 -7.918 415 HB3 TYR 49 1HB TYR 49 -3.834 -9.254 -6.541 416 HD1 TYR 49 2HD TYR 49 -1.391 -6.497 -6.636 417 HD2 TYR 49 1HD TYR 49 -5.235 -7.711 -5.286 418 HE1 TYR 49 2HE TYR 49 -1.459 -4.565 -5.119 419 HE2 TYR 49 1HE TYR 49 -5.311 -5.781 -3.759 420 HH TYR 49 HH TYR 49 -3.927 -4.200 -2.710 421 H SER 50 H SER 50 -2.193 -9.748 -9.800 422 HA SER 50 HA SER 50 -2.901 -12.440 -9.205 423 HB2 SER 50 2HB SER 50 -2.096 -11.245 -11.856 424 HB3 SER 50 1HB SER 50 -3.002 -12.741 -11.604 425 HG SER 50 HG SER 50 -3.763 -10.103 -11.428 426 H SER 51 H SER 51 0.083 -10.817 -9.893 427 HA SER 51 HA SER 51 1.508 -13.252 -10.435 428 HB2 SER 51 2HB SER 51 2.214 -11.190 -11.523 429 HB3 SER 51 1HB SER 51 2.471 -10.424 -9.955 430 HG SER 51 HG SER 51 4.328 -11.296 -11.091 431 H HIS 52 H HIS 52 1.046 -11.068 -7.729 432 HA HIS 52 HA HIS 52 2.890 -12.675 -6.078 433 HB2 HIS 52 2HB HIS 52 1.737 -9.910 -5.588 434 HB3 HIS 52 1HB HIS 52 2.833 -10.747 -4.508 435 HD1 HIS 52 1HD HIS 52 5.345 -10.522 -5.012 436 HD2 HIS 52 2HD HIS 52 2.945 -8.979 -8.033 437 HE1 HIS 52 1HE HIS 52 6.865 -9.170 -6.462 438 HE2 HIS 52 2HE HIS 52 5.360 -8.099 -8.167 439 H LEU 53 H LEU 53 0.307 -13.659 -6.726 440 HA LEU 53 HA LEU 53 -1.870 -13.145 -5.152 441 HB2 LEU 53 2HB LEU 53 -0.901 -15.761 -6.202 442 HB3 LEU 53 1HB LEU 53 -2.424 -15.600 -5.362 443 HG LEU 53 HG LEU 53 -1.696 -14.153 -7.890 444 HD11 LEU 53 1HD1 LEU 53 -3.235 -15.746 -8.958 445 HD12 LEU 53 2HD1 LEU 53 -3.444 -16.563 -7.408 446 HD13 LEU 53 3HD1 LEU 53 -1.874 -16.585 -8.208 447 HD21 LEU 53 3HD2 LEU 53 -4.135 -13.718 -7.981 448 HD22 LEU 53 1HD2 LEU 53 -3.360 -12.953 -6.592 449 HD23 LEU 53 2HD2 LEU 53 -4.288 -14.434 -6.379 450 H ASP 54 H ASP 54 0.792 -15.225 -4.253 451 HA ASP 54 HA ASP 54 -0.355 -16.487 -2.032 452 HB2 ASP 54 2HB ASP 54 1.784 -17.199 -3.008 453 HB3 ASP 54 1HB ASP 54 2.543 -15.729 -2.426 454 H GLU 55 H GLU 55 1.565 -13.481 -1.992 455 HA GLU 55 HA GLU 55 1.094 -13.157 0.814 456 HB2 GLU 55 2HB GLU 55 3.112 -12.266 -0.412 457 HB3 GLU 55 1HB GLU 55 2.063 -11.024 -1.082 458 HG2 GLU 55 2HG GLU 55 3.259 -10.139 0.825 459 HG3 GLU 55 1HG GLU 55 1.540 -10.261 1.181 460 H ILE 56 H ILE 56 -0.416 -11.997 -2.108 461 HA ILE 56 HA ILE 56 -2.032 -9.959 -1.000 462 HB ILE 56 HB ILE 56 -2.710 -11.775 -3.344 463 HG12 ILE 56 2HG1 ILE 56 -0.609 -10.670 -3.868 464 HG13 ILE 56 1HG1 ILE 56 -1.903 -9.917 -4.786 465 HG21 ILE 56 1HG2 ILE 56 -4.677 -10.618 -2.552 466 HG22 ILE 56 2HG2 ILE 56 -4.187 -9.975 -4.120 467 HG23 ILE 56 3HG2 ILE 56 -3.837 -9.069 -2.650 468 HD11 ILE 56 3HD1 ILE 56 -0.655 -8.796 -2.292 469 HD12 ILE 56 1HD1 ILE 56 -1.941 -8.049 -3.242 470 HD13 ILE 56 2HD1 ILE 56 -0.341 -8.274 -3.946 471 H ARG 57 H ARG 57 -2.412 -13.389 -1.318 472 HA ARG 57 HA ARG 57 -5.036 -13.520 -0.268 473 HB2 ARG 57 2HB ARG 57 -4.304 -15.222 -1.763 474 HB3 ARG 57 1HB ARG 57 -2.895 -15.563 -0.784 475 HG2 ARG 57 2HG ARG 57 -4.149 -16.650 0.839 476 HG3 ARG 57 1HG ARG 57 -5.693 -16.051 0.196 477 HD2 ARG 57 2HD ARG 57 -3.782 -17.890 -1.242 478 HD3 ARG 57 1HD ARG 57 -5.237 -18.425 -0.394 479 HE ARG 57 HE ARG 57 -6.320 -16.707 -2.007 480 HH11 ARG 57 1HH1 ARG 57 -3.664 -18.869 -2.856 481 HH12 ARG 57 2HH1 ARG 57 -4.178 -19.109 -4.458 482 HH21 ARG 57 1HH2 ARG 57 -7.033 -17.051 -4.199 483 HH22 ARG 57 2HH2 ARG 57 -6.132 -18.073 -5.237 484 H LYS 58 H LYS 58 -1.844 -14.019 1.112 485 HA LYS 58 HA LYS 58 -2.560 -14.910 3.670 486 HB2 LYS 58 2HB LYS 58 -0.230 -13.229 2.786 487 HB3 LYS 58 1HB LYS 58 -0.418 -13.866 4.409 488 HG2 LYS 58 2HG LYS 58 -0.201 -16.100 3.649 489 HG3 LYS 58 1HG LYS 58 -0.339 -15.598 1.959 490 HD2 LYS 58 2HD LYS 58 1.989 -16.084 2.588 491 HD3 LYS 58 1HD LYS 58 1.780 -14.410 2.111 492 HE2 LYS 58 2HE LYS 58 1.616 -13.801 4.515 493 HE3 LYS 58 1HE LYS 58 1.999 -15.475 4.922 494 HZ1 LYS 58 3HZ LYS 58 4.099 -15.198 3.713 495 HZ2 LYS 58 1HZ LYS 58 3.973 -14.038 4.949 496 HZ3 LYS 58 2HZ LYS 58 3.668 -13.607 3.356 497 H ASN 59 H ASN 59 -2.006 -11.620 2.523 498 HA ASN 59 HA ASN 59 -3.349 -10.692 4.954 499 HB2 ASN 59 2HB ASN 59 -0.923 -9.470 3.625 500 HB3 ASN 59 1HB ASN 59 -1.907 -8.600 4.797 501 HD21 ASN 59 1HD2 ASN 59 0.447 -11.158 4.344 502 HD22 ASN 59 2HD2 ASN 59 0.686 -11.419 6.030 503 H LYS 60 H LYS 60 -4.882 -11.250 3.139 504 HA LYS 60 HA LYS 60 -5.396 -9.603 1.006 505 HB2 LYS 60 2HB LYS 60 -7.752 -10.385 1.153 506 HB3 LYS 60 1HB LYS 60 -6.556 -11.667 1.201 507 HG2 LYS 60 2HG LYS 60 -6.843 -11.881 3.603 508 HG3 LYS 60 1HG LYS 60 -7.984 -10.534 3.598 509 HD2 LYS 60 2HD LYS 60 -9.477 -11.800 2.144 510 HD3 LYS 60 1HD LYS 60 -8.335 -13.142 2.133 511 HE2 LYS 60 2HE LYS 60 -8.623 -13.437 4.526 512 HE3 LYS 60 1HE LYS 60 -9.709 -12.051 4.584 513 HZ1 LYS 60 3HZ LYS 60 -10.894 -14.191 4.517 514 HZ2 LYS 60 1HZ LYS 60 -10.206 -14.522 3.021 515 HZ3 LYS 60 2HZ LYS 60 -11.258 -13.231 3.188 516 H GLU 61 H GLU 61 -6.321 -9.090 4.355 517 HA GLU 61 HA GLU 61 -8.120 -6.999 3.997 518 HB2 GLU 61 2HB GLU 61 -6.184 -7.421 6.260 519 HB3 GLU 61 1HB GLU 61 -7.663 -6.467 6.281 520 HG2 GLU 61 2HG GLU 61 -7.490 -9.449 5.910 521 HG3 GLU 61 1HG GLU 61 -7.984 -8.610 7.380 522 H PHE 62 H PHE 62 -4.630 -6.996 4.503 523 HA PHE 62 HA PHE 62 -4.263 -4.207 4.527 524 HB2 PHE 62 2HB PHE 62 -2.557 -5.694 5.420 525 HB3 PHE 62 1HB PHE 62 -2.352 -6.461 3.853 526 HD1 PHE 62 2HD PHE 62 -1.923 -3.237 5.649 527 HD2 PHE 62 1HD PHE 62 -0.765 -5.635 2.325 528 HE1 PHE 62 2HE PHE 62 -0.159 -1.628 5.097 529 HE2 PHE 62 1HE PHE 62 0.996 -4.031 1.775 530 HZ PHE 62 HZ PHE 62 1.305 -2.023 3.157 531 H TYR 63 H TYR 63 -3.901 -6.625 1.974 532 HA TYR 63 HA TYR 63 -3.149 -4.689 0.080 533 HB2 TYR 63 2HB TYR 63 -3.817 -7.594 -0.237 534 HB3 TYR 63 1HB TYR 63 -3.358 -6.564 -1.594 535 HD1 TYR 63 1HD TYR 63 -1.139 -5.348 -1.475 536 HD2 TYR 63 2HD TYR 63 -2.152 -8.523 1.156 537 HE1 TYR 63 1HE TYR 63 1.249 -5.643 -0.926 538 HE2 TYR 63 2HE TYR 63 0.214 -8.831 1.707 539 HH TYR 63 HH TYR 63 2.383 -8.368 0.770 540 H ASP 64 H ASP 64 -6.267 -5.953 0.956 541 HA ASP 64 HA ASP 64 -7.523 -4.952 -1.413 542 HB2 ASP 64 2HB ASP 64 -8.590 -6.754 -0.160 543 HB3 ASP 64 1HB ASP 64 -8.707 -5.721 1.259 544 H MET 65 H MET 65 -7.161 -3.788 1.923 545 HA MET 65 HA MET 65 -8.583 -1.426 1.531 546 HB2 MET 65 2HB MET 65 -6.480 -2.162 3.536 547 HB3 MET 65 1HB MET 65 -7.235 -0.572 3.538 548 HG2 MET 65 2HG MET 65 -9.438 -1.759 3.693 549 HG3 MET 65 1HG MET 65 -8.535 -3.243 3.922 550 HE1 MET 65 3HE MET 65 -7.285 -3.926 6.139 551 HE2 MET 65 1HE MET 65 -6.786 -2.756 7.357 552 HE3 MET 65 2HE MET 65 -6.165 -2.646 5.700 553 H ILE 66 H ILE 66 -5.084 -2.055 1.186 554 HA ILE 66 HA ILE 66 -4.576 0.647 0.578 555 HB ILE 66 HB ILE 66 -2.413 -0.018 -0.421 556 HG12 ILE 66 2HG1 ILE 66 -3.124 -2.819 0.322 557 HG13 ILE 66 1HG1 ILE 66 -3.253 -2.249 -1.339 558 HG21 ILE 66 1HG2 ILE 66 -1.396 -0.932 1.603 559 HG22 ILE 66 2HG2 ILE 66 -3.003 -1.318 2.216 560 HG23 ILE 66 3HG2 ILE 66 -2.544 0.363 1.948 561 HD11 ILE 66 3HD1 ILE 66 -0.755 -2.409 0.349 562 HD12 ILE 66 1HD1 ILE 66 -0.841 -1.718 -1.273 563 HD13 ILE 66 2HD1 ILE 66 -1.174 -3.431 -1.035 564 H ALA 67 H ALA 67 -5.541 -2.040 -1.435 565 HA ALA 67 HA ALA 67 -4.949 -1.048 -3.950 566 HB1 ALA 67 1HB ALA 67 -7.389 -2.653 -3.197 567 HB2 ALA 67 2HB ALA 67 -5.794 -3.317 -3.542 568 HB3 ALA 67 3HB ALA 67 -6.699 -2.496 -4.813 569 H GLU 68 H GLU 68 -7.875 -0.453 -2.034 570 HA GLU 68 HA GLU 68 -8.899 1.223 -4.104 571 HB2 GLU 68 2HB GLU 68 -10.753 1.754 -2.558 572 HB3 GLU 68 1HB GLU 68 -10.521 0.038 -2.806 573 HG2 GLU 68 2HG GLU 68 -9.434 -0.150 -0.642 574 HG3 GLU 68 1HG GLU 68 -9.605 1.589 -0.396 575 H ILE 69 H ILE 69 -7.187 1.795 -1.101 576 HA ILE 69 HA ILE 69 -7.483 4.611 -1.008 577 HB ILE 69 HB ILE 69 -5.171 2.914 -0.021 578 HG12 ILE 69 2HG1 ILE 69 -7.526 4.055 1.488 579 HG13 ILE 69 1HG1 ILE 69 -7.349 2.371 1.002 580 HG21 ILE 69 1HG2 ILE 69 -5.861 5.772 0.668 581 HG22 ILE 69 2HG2 ILE 69 -4.475 5.237 -0.280 582 HG23 ILE 69 3HG2 ILE 69 -4.590 4.812 1.428 583 HD11 ILE 69 3HD1 ILE 69 -6.743 2.646 3.333 584 HD12 ILE 69 1HD1 ILE 69 -5.555 3.872 2.886 585 HD13 ILE 69 2HD1 ILE 69 -5.344 2.204 2.364 586 H LEU 70 H LEU 70 -5.013 2.529 -2.454 587 HA LEU 70 HA LEU 70 -3.256 4.401 -3.441 588 HB2 LEU 70 2HB LEU 70 -4.107 1.757 -4.612 589 HB3 LEU 70 1HB LEU 70 -2.753 2.685 -5.213 590 HG LEU 70 HG LEU 70 -2.923 1.628 -2.389 591 HD11 LEU 70 1HD1 LEU 70 -2.901 -0.228 -3.948 592 HD12 LEU 70 2HD1 LEU 70 -1.351 -0.098 -3.119 593 HD13 LEU 70 3HD1 LEU 70 -1.516 0.471 -4.782 594 HD21 LEU 70 3HD2 LEU 70 -0.617 2.711 -4.002 595 HD22 LEU 70 1HD2 LEU 70 -0.517 2.059 -2.369 596 HD23 LEU 70 2HD2 LEU 70 -1.427 3.539 -2.676 597 H GLN 71 H GLN 71 -6.176 3.160 -4.969 598 HA GLN 71 HA GLN 71 -5.914 4.638 -7.384 599 HB2 GLN 71 2HB GLN 71 -8.461 3.654 -6.091 600 HB3 GLN 71 1HB GLN 71 -8.233 4.046 -7.791 601 HG2 GLN 71 2HG GLN 71 -6.626 2.193 -7.981 602 HG3 GLN 71 1HG GLN 71 -6.903 1.803 -6.292 603 HE21 GLN 71 1HE2 GLN 71 -7.665 -0.198 -6.689 604 HE22 GLN 71 2HE2 GLN 71 -9.180 -0.528 -7.452 605 H ARG 72 H ARG 72 -7.734 5.205 -4.426 606 HA ARG 72 HA ARG 72 -9.138 7.486 -5.044 607 HB2 ARG 72 2HB ARG 72 -9.433 5.866 -3.223 608 HB3 ARG 72 1HB ARG 72 -7.977 6.470 -2.484 609 HG2 ARG 72 2HG ARG 72 -9.029 8.556 -2.004 610 HG3 ARG 72 1HG ARG 72 -10.477 8.071 -2.911 611 HD2 ARG 72 2HD ARG 72 -9.360 6.681 -0.480 612 HD3 ARG 72 1HD ARG 72 -10.812 7.694 -0.547 613 HE ARG 72 HE ARG 72 -11.418 5.921 -2.371 614 HH11 ARG 72 1HH1 ARG 72 -10.009 5.217 0.879 615 HH12 ARG 72 2HH1 ARG 72 -10.722 3.692 0.943 616 HH21 ARG 72 1HH2 ARG 72 -12.320 3.800 -2.189 617 HH22 ARG 72 2HH2 ARG 72 -12.030 2.872 -0.776 618 H TYR 73 H TYR 73 -6.019 7.098 -3.381 619 HA TYR 73 HA TYR 73 -5.774 9.942 -3.312 620 HB2 TYR 73 2HB TYR 73 -4.322 7.774 -1.908 621 HB3 TYR 73 1HB TYR 73 -3.599 9.375 -2.033 622 HD1 TYR 73 1HD TYR 73 -6.487 7.491 -0.716 623 HD2 TYR 73 2HD TYR 73 -4.437 11.209 -0.822 624 HE1 TYR 73 1HE TYR 73 -7.847 8.292 1.166 625 HE2 TYR 73 2HE TYR 73 -5.780 12.020 1.047 626 HH TYR 73 HH TYR 73 -7.817 11.614 2.151 627 H TYR 74 H TYR 74 -4.601 7.524 -5.417 628 HA TYR 74 HA TYR 74 -2.337 9.023 -6.186 629 HB2 TYR 74 2HB TYR 74 -1.922 7.204 -7.438 630 HB3 TYR 74 1HB TYR 74 -3.482 6.555 -6.992 631 HD1 TYR 74 2HD TYR 74 -1.661 8.478 -9.595 632 HD2 TYR 74 1HD TYR 74 -5.228 6.413 -8.568 633 HE1 TYR 74 2HE TYR 74 -2.364 8.525 -11.954 634 HE2 TYR 74 1HE TYR 74 -5.933 6.450 -10.902 635 HH TYR 74 HH TYR 74 -3.863 7.302 -13.468 636 H LYS 75 H LYS 75 -5.689 9.140 -7.047 637 HA LYS 75 HA LYS 75 -5.358 11.172 -9.023 638 HB2 LYS 75 2HB LYS 75 -7.799 10.337 -7.433 639 HB3 LYS 75 1HB LYS 75 -7.805 11.513 -8.732 640 HG2 LYS 75 2HG LYS 75 -7.066 8.615 -9.042 641 HG3 LYS 75 1HG LYS 75 -8.635 9.318 -9.435 642 HD2 LYS 75 2HD LYS 75 -7.429 10.856 -11.020 643 HD3 LYS 75 1HD LYS 75 -5.973 9.899 -10.732 644 HE2 LYS 75 2HE LYS 75 -7.255 7.883 -11.479 645 HE3 LYS 75 1HE LYS 75 -8.579 8.956 -11.907 646 HZ1 LYS 75 3HZ LYS 75 -7.014 10.103 -13.443 647 HZ2 LYS 75 1HZ LYS 75 -7.263 8.470 -13.834 648 HZ3 LYS 75 2HZ LYS 75 -5.860 8.941 -13.067 649 H LYS 76 H LYS 76 -6.008 11.096 -5.581 650 HA LYS 76 HA LYS 76 -6.609 13.876 -5.416 651 HB2 LYS 76 2HB LYS 76 -7.561 12.107 -3.908 652 HB3 LYS 76 1HB LYS 76 -5.996 12.013 -3.123 653 HG2 LYS 76 2HG LYS 76 -6.209 14.181 -2.209 654 HG3 LYS 76 1HG LYS 76 -7.572 14.574 -3.261 655 HD2 LYS 76 2HD LYS 76 -8.868 12.743 -2.136 656 HD3 LYS 76 1HD LYS 76 -7.532 12.565 -1.001 657 HE2 LYS 76 2HE LYS 76 -9.021 15.158 -1.421 658 HE3 LYS 76 1HE LYS 76 -9.484 13.968 -0.213 659 HZ1 LYS 76 3HZ LYS 76 -8.099 15.815 0.593 660 HZ2 LYS 76 1HZ LYS 76 -6.799 15.250 -0.302 661 HZ3 LYS 76 2HZ LYS 76 -7.490 14.320 0.963 662 H ILE 77 H ILE 77 -3.696 12.000 -4.469 663 HA ILE 77 HA ILE 77 -2.321 14.600 -4.340 664 HB ILE 77 HB ILE 77 -0.761 13.664 -2.622 665 HG12 ILE 77 2HG1 ILE 77 -2.779 11.405 -2.484 666 HG13 ILE 77 1HG1 ILE 77 -1.121 11.269 -3.036 667 HG21 ILE 77 1HG2 ILE 77 -3.664 13.780 -1.839 668 HG22 ILE 77 2HG2 ILE 77 -2.540 15.136 -1.942 669 HG23 ILE 77 3HG2 ILE 77 -2.305 13.886 -0.722 670 HD11 ILE 77 3HD1 ILE 77 -1.364 10.398 -0.789 671 HD12 ILE 77 1HD1 ILE 77 -2.012 11.943 -0.238 672 HD13 ILE 77 2HD1 ILE 77 -0.338 11.835 -0.778 673 H GLY 78 H GLY 78 -2.091 11.255 -5.306 674 HA2 GLY 78 2HA GLY 78 -0.846 11.046 -7.497 675 HA3 GLY 78 1HA GLY 78 0.463 11.883 -6.663 676 H ILE 79 H ILE 79 0.306 9.136 -7.849 677 HA ILE 79 HA ILE 79 -0.037 7.239 -5.791 678 HB ILE 79 HB ILE 79 -0.238 6.545 -8.155 679 HG12 ILE 79 2HG1 ILE 79 1.044 4.441 -8.081 680 HG13 ILE 79 1HG1 ILE 79 2.012 5.100 -6.764 681 HG21 ILE 79 1HG2 ILE 79 1.766 6.173 -9.544 682 HG22 ILE 79 2HG2 ILE 79 2.705 7.087 -8.360 683 HG23 ILE 79 3HG2 ILE 79 1.387 7.863 -9.242 684 HD11 ILE 79 3HD1 ILE 79 0.085 5.144 -5.321 685 HD12 ILE 79 1HD1 ILE 79 0.287 3.534 -5.998 686 HD13 ILE 79 2HD1 ILE 79 -0.960 4.610 -6.637 687 H GLU 80 H GLU 80 2.813 8.904 -6.948 688 HA GLU 80 HA GLU 80 4.876 7.544 -5.672 689 HB2 GLU 80 2HB GLU 80 4.528 10.518 -6.003 690 HB3 GLU 80 1HB GLU 80 6.038 9.729 -5.595 691 HG2 GLU 80 2HG GLU 80 6.070 8.617 -7.736 692 HG3 GLU 80 1HG GLU 80 4.496 9.302 -8.141 693 H ASN 81 H ASN 81 2.800 10.059 -4.478 694 HA ASN 81 HA ASN 81 3.950 10.408 -1.919 695 HB2 ASN 81 2HB ASN 81 1.165 11.027 -2.912 696 HB3 ASN 81 1HB ASN 81 1.797 11.586 -1.379 697 HD21 ASN 81 1HD2 ASN 81 1.734 12.034 -4.788 698 HD22 ASN 81 2HD2 ASN 81 2.652 13.484 -4.825 699 H VAL 82 H VAL 82 1.215 8.538 -3.118 700 HA VAL 82 HA VAL 82 0.316 7.669 -0.584 701 HB VAL 82 HB VAL 82 -0.103 6.164 -3.171 702 HG11 VAL 82 1HG1 VAL 82 -0.818 4.986 -1.177 703 HG12 VAL 82 2HG1 VAL 82 -2.233 5.510 -2.099 704 HG13 VAL 82 3HG1 VAL 82 -1.745 6.389 -0.655 705 HG21 VAL 82 3HG2 VAL 82 -1.663 8.505 -2.107 706 HG22 VAL 82 1HG2 VAL 82 -2.138 7.506 -3.481 707 HG23 VAL 82 2HG2 VAL 82 -0.673 8.481 -3.565 708 H ASN 83 H ASN 83 2.357 6.167 -3.041 709 HA ASN 83 HA ASN 83 2.818 3.723 -1.809 710 HB2 ASN 83 2HB ASN 83 4.663 5.350 -3.574 711 HB3 ASN 83 1HB ASN 83 5.030 3.713 -3.051 712 HD21 ASN 83 1HD2 ASN 83 4.707 4.661 -5.823 713 HD22 ASN 83 2HD2 ASN 83 3.373 3.749 -6.409 714 H GLN 84 H GLN 84 4.502 6.762 -1.401 715 HA GLN 84 HA GLN 84 6.506 5.852 0.384 716 HB2 GLN 84 2HB GLN 84 6.230 8.103 -0.966 717 HB3 GLN 84 1HB GLN 84 5.348 8.622 0.455 718 HG2 GLN 84 2HG GLN 84 8.233 7.743 0.379 719 HG3 GLN 84 1HG GLN 84 7.670 9.406 0.487 720 HE21 GLN 84 1HE2 GLN 84 8.290 6.472 2.137 721 HE22 GLN 84 2HE2 GLN 84 7.981 7.032 3.733 722 H LEU 85 H LEU 85 3.313 7.330 0.854 723 HA LEU 85 HA LEU 85 3.399 7.395 3.653 724 HB2 LEU 85 2HB LEU 85 1.011 7.315 1.815 725 HB3 LEU 85 1HB LEU 85 0.929 7.651 3.533 726 HG LEU 85 HG LEU 85 2.373 9.347 1.492 727 HD11 LEU 85 1HD1 LEU 85 0.611 10.976 1.905 728 HD12 LEU 85 2HD1 LEU 85 -0.199 9.820 2.963 729 HD13 LEU 85 3HD1 LEU 85 -0.034 9.475 1.240 730 HD21 LEU 85 3HD2 LEU 85 2.572 10.970 3.340 731 HD22 LEU 85 1HD2 LEU 85 3.458 9.479 3.658 732 HD23 LEU 85 2HD2 LEU 85 1.907 9.767 4.445 733 H ILE 86 H ILE 86 2.236 4.888 1.452 734 HA ILE 86 HA ILE 86 1.187 3.192 3.440 735 HB ILE 86 HB ILE 86 2.379 2.431 0.747 736 HG12 ILE 86 2HG1 ILE 86 0.485 3.934 0.483 737 HG13 ILE 86 1HG1 ILE 86 0.026 2.317 -0.028 738 HG21 ILE 86 1HG2 ILE 86 1.104 0.332 0.920 739 HG22 ILE 86 2HG2 ILE 86 0.618 0.777 2.555 740 HG23 ILE 86 3HG2 ILE 86 2.318 0.479 2.194 741 HD11 ILE 86 3HD1 ILE 86 -0.710 3.655 2.577 742 HD12 ILE 86 1HD1 ILE 86 -1.126 1.998 2.129 743 HD13 ILE 86 2HD1 ILE 86 -1.770 3.352 1.202 744 H LEU 87 H LEU 87 4.447 3.467 2.090 745 HA LEU 87 HA LEU 87 5.610 1.352 3.538 746 HB2 LEU 87 2HB LEU 87 6.854 3.915 2.539 747 HB3 LEU 87 1HB LEU 87 7.767 2.550 3.137 748 HG LEU 87 HG LEU 87 6.005 2.540 0.688 749 HD11 LEU 87 1HD1 LEU 87 9.005 2.491 0.950 750 HD12 LEU 87 2HD1 LEU 87 8.036 3.848 0.370 751 HD13 LEU 87 3HD1 LEU 87 8.092 2.341 -0.549 752 HD21 LEU 87 3HD2 LEU 87 6.039 0.358 1.740 753 HD22 LEU 87 1HD2 LEU 87 7.802 0.417 1.846 754 HD23 LEU 87 2HD2 LEU 87 7.014 0.341 0.272 755 H THR 88 H THR 88 5.092 4.705 4.293 756 HA THR 88 HA THR 88 6.439 4.765 6.768 757 HB THR 88 HB THR 88 4.130 6.487 5.799 758 HG1 THR 88 1HG THR 88 5.762 6.653 4.290 759 HG21 THR 88 3HG2 THR 88 4.642 6.767 8.212 760 HG22 THR 88 1HG2 THR 88 5.081 8.205 7.289 761 HG23 THR 88 2HG2 THR 88 6.332 7.074 7.806 762 H THR 89 H THR 89 3.205 3.863 5.793 763 HA THR 89 HA THR 89 1.873 3.744 8.283 764 HB THR 89 HB THR 89 1.371 2.139 5.756 765 HG1 THR 89 1HG THR 89 1.391 4.472 5.484 766 HG21 THR 89 3HG2 THR 89 0.115 1.365 7.824 767 HG22 THR 89 1HG2 THR 89 -0.920 1.950 6.512 768 HG23 THR 89 2HG2 THR 89 -0.603 2.983 7.878 769 H ILE 90 H ILE 90 3.588 1.269 6.362 770 HA ILE 90 HA ILE 90 3.031 -0.760 8.292 771 HB ILE 90 HB ILE 90 4.510 -2.237 6.949 772 HG12 ILE 90 2HG1 ILE 90 4.826 0.216 5.207 773 HG13 ILE 90 1HG1 ILE 90 6.102 -0.569 6.126 774 HG21 ILE 90 1HG2 ILE 90 2.151 -2.123 6.454 775 HG22 ILE 90 2HG2 ILE 90 3.066 -2.279 4.956 776 HG23 ILE 90 3HG2 ILE 90 2.406 -0.713 5.427 777 HD11 ILE 90 3HD1 ILE 90 4.580 -1.774 3.828 778 HD12 ILE 90 1HD1 ILE 90 5.860 -2.567 4.748 779 HD13 ILE 90 2HD1 ILE 90 6.233 -1.145 3.772 780 H LYS 91 H LYS 91 5.363 1.615 8.140 781 HA LYS 91 HA LYS 91 7.093 0.186 10.029 782 HB2 LYS 91 2HB LYS 91 7.439 2.837 8.625 783 HB3 LYS 91 1HB LYS 91 8.586 2.142 9.768 784 HG2 LYS 91 2HG LYS 91 8.943 0.262 8.247 785 HG3 LYS 91 1HG LYS 91 7.779 0.955 7.120 786 HD2 LYS 91 2HD LYS 91 10.035 1.471 6.401 787 HD3 LYS 91 1HD LYS 91 9.206 2.946 6.886 788 HE2 LYS 91 2HE LYS 91 10.321 2.819 9.091 789 HE3 LYS 91 1HE LYS 91 11.208 1.392 8.546 790 HZ1 LYS 91 3HZ LYS 91 11.352 4.117 7.402 791 HZ2 LYS 91 1HZ LYS 91 12.218 2.798 6.814 792 HZ3 LYS 91 2HZ LYS 91 12.522 3.408 8.359 793 H LEU 92 H LEU 92 4.314 1.283 10.540 794 HA LEU 92 HA LEU 92 4.956 2.749 12.956 795 HB2 LEU 92 2HB LEU 92 4.543 4.368 11.064 796 HB3 LEU 92 1HB LEU 92 2.949 3.677 10.894 797 HG LEU 92 HG LEU 92 2.385 4.476 13.160 798 HD11 LEU 92 1HD1 LEU 92 5.124 5.726 13.021 799 HD12 LEU 92 2HD1 LEU 92 4.565 4.520 14.191 800 HD13 LEU 92 3HD1 LEU 92 3.883 6.148 14.194 801 HD21 LEU 92 3HD2 LEU 92 1.820 5.823 11.212 802 HD22 LEU 92 1HD2 LEU 92 3.411 6.586 11.261 803 HD23 LEU 92 2HD2 LEU 92 2.266 6.859 12.570 804 H GLU 93 H GLU 93 2.892 2.842 14.311 805 HA GLU 93 HA GLU 93 0.836 0.939 13.549 806 HB2 GLU 93 2HB GLU 93 2.488 -0.388 14.858 807 HB3 GLU 93 1HB GLU 93 2.326 0.736 16.188 808 HG2 GLU 93 2HG GLU 93 -0.107 0.131 16.297 809 HG3 GLU 93 1HG GLU 93 0.221 -1.133 15.116 810 H HIS 94 H HIS 94 1.825 2.481 16.548 811 HA HIS 94 HA HIS 94 -0.405 4.302 16.508 812 HB2 HIS 94 2HB HIS 94 -1.348 2.147 17.350 813 HB3 HIS 94 1HB HIS 94 -0.122 2.131 18.603 814 HD1 HIS 94 1HD HIS 94 -3.479 3.381 17.816 815 HD2 HIS 94 2HD HIS 94 -0.552 4.095 20.658 816 HE1 HIS 94 1HE HIS 94 -4.638 4.515 19.681 817 HE2 HIS 94 2HE HIS 94 -2.978 4.481 21.488 818 H HIS 95 H HIS 95 1.375 5.697 16.462 819 HA HIS 95 HA HIS 95 3.300 5.615 18.605 820 HB2 HIS 95 2HB HIS 95 3.886 6.188 16.215 821 HB3 HIS 95 1HB HIS 95 3.019 7.701 16.414 822 HD1 HIS 95 1HD HIS 95 4.718 9.529 16.618 823 HD2 HIS 95 2HD HIS 95 5.968 6.059 18.526 824 HE1 HIS 95 1HE HIS 95 6.994 10.036 17.501 825 HE2 HIS 95 2HE HIS 95 7.601 8.030 18.870 826 H HIS 96 H HIS 96 1.585 5.810 20.141 827 HA HIS 96 HA HIS 96 0.049 8.207 20.447 828 HB2 HIS 96 2HB HIS 96 -0.654 6.020 21.414 829 HB3 HIS 96 1HB HIS 96 0.695 6.104 22.541 830 HD1 HIS 96 1HD HIS 96 0.234 7.292 24.724 831 HD2 HIS 96 2HD HIS 96 -2.657 8.092 21.850 832 HE1 HIS 96 1HE HIS 96 -1.565 8.537 25.914 833 HE2 HIS 96 2HE HIS 96 -3.185 9.199 24.124 834 H HIS 97 H HIS 97 3.094 7.036 21.609 835 HA HIS 97 HA HIS 97 3.581 9.289 23.342 836 HB2 HIS 97 2HB HIS 97 5.508 7.230 22.201 837 HB3 HIS 97 1HB HIS 97 5.929 8.449 23.390 838 HD1 HIS 97 1HD HIS 97 4.420 5.084 23.014 839 HD2 HIS 97 2HD HIS 97 4.910 7.930 26.002 840 HE1 HIS 97 1HE HIS 97 3.958 3.894 25.143 841 HE2 HIS 97 2HE HIS 97 4.204 5.617 26.944 842 H HIS 98 H HIS 98 3.408 11.115 22.142 843 HA HIS 98 HA HIS 98 5.470 11.483 20.167 844 HB2 HIS 98 2HB HIS 98 3.867 12.670 18.598 845 HB3 HIS 98 1HB HIS 98 3.724 10.927 18.666 846 HD1 HIS 98 1HD HIS 98 1.401 10.107 18.787 847 HD2 HIS 98 2HD HIS 98 1.726 13.960 20.309 848 HE1 HIS 98 1HE HIS 98 -0.936 10.829 19.310 849 HE2 HIS 98 2HE HIS 98 -0.716 13.119 20.293 850 H HIS 99 H HIS 99 6.212 13.487 19.906 851 HA HIS 99 HA HIS 99 5.346 15.378 21.934 852 HB2 HIS 99 2HB HIS 99 7.838 15.937 22.240 853 HB3 HIS 99 1HB HIS 99 7.267 14.430 22.942 854 HD1 HIS 99 1HD HIS 99 9.327 15.724 20.087 855 HD2 HIS 99 2HD HIS 99 8.482 12.149 21.986 856 HE1 HIS 99 1HE HIS 99 10.961 14.047 19.129 857 HE2 HIS 99 2HE HIS 99 10.298 11.848 20.195 Start of MODEL 11 1 H1 MET 1 1HT MET 1 2.029 14.742 0.946 2 H2 MET 1 2HT MET 1 1.200 13.283 1.146 3 H3 MET 1 3HT MET 1 2.123 13.891 2.385 4 HA MET 1 HA MET 1 0.745 15.724 2.742 5 HB2 MET 1 2HB MET 1 -0.824 14.594 0.435 6 HB3 MET 1 1HB MET 1 -1.530 15.735 1.571 7 HG2 MET 1 2HG MET 1 0.255 17.352 0.962 8 HG3 MET 1 1HG MET 1 0.811 16.203 -0.255 9 HE1 MET 1 2HE MET 1 -0.878 19.037 -2.368 10 HE2 MET 1 3HE MET 1 0.604 18.132 -2.063 11 HE3 MET 1 1HE MET 1 -0.006 19.256 -0.850 12 H SER 2 H SER 2 -1.809 15.393 3.501 13 HA SER 2 HA SER 2 -1.520 13.237 5.338 14 HB2 SER 2 2HB SER 2 -2.459 15.425 6.052 15 HB3 SER 2 1HB SER 2 -3.831 15.168 4.971 16 HG SER 2 HG SER 2 -4.194 14.588 7.197 17 H ILE 3 H ILE 3 -2.988 11.599 5.612 18 HA ILE 3 HA ILE 3 -4.782 10.933 3.424 19 HB ILE 3 HB ILE 3 -2.621 9.962 2.812 20 HG12 ILE 3 2HG1 ILE 3 -4.335 7.710 3.863 21 HG13 ILE 3 1HG1 ILE 3 -4.712 8.598 2.399 22 HG21 ILE 3 1HG2 ILE 3 -1.477 8.305 4.209 23 HG22 ILE 3 2HG2 ILE 3 -2.618 8.654 5.509 24 HG23 ILE 3 3HG2 ILE 3 -1.536 9.917 4.925 25 HD11 ILE 3 3HD1 ILE 3 -3.621 6.487 1.883 26 HD12 ILE 3 1HD1 ILE 3 -2.255 6.919 2.911 27 HD13 ILE 3 2HD1 ILE 3 -2.570 7.830 1.434 28 H LEU 4 H LEU 4 -4.779 11.803 6.268 29 HA LEU 4 HA LEU 4 -5.610 9.505 7.802 30 HB2 LEU 4 2HB LEU 4 -5.639 12.432 8.537 31 HB3 LEU 4 1HB LEU 4 -5.895 11.100 9.646 32 HG LEU 4 HG LEU 4 -3.323 11.733 8.193 33 HD11 LEU 4 1HD1 LEU 4 -2.478 12.291 10.412 34 HD12 LEU 4 2HD1 LEU 4 -4.077 12.008 11.095 35 HD13 LEU 4 3HD1 LEU 4 -3.829 13.325 9.949 36 HD21 LEU 4 3HD2 LEU 4 -3.910 9.613 10.262 37 HD22 LEU 4 1HD2 LEU 4 -2.329 9.984 9.573 38 HD23 LEU 4 2HD2 LEU 4 -3.606 9.325 8.548 39 H GLU 5 H GLU 5 -7.089 11.102 5.506 40 HA GLU 5 HA GLU 5 -9.643 11.781 6.668 41 HB2 GLU 5 2HB GLU 5 -9.054 11.262 3.768 42 HB3 GLU 5 1HB GLU 5 -10.275 12.311 4.452 43 HG2 GLU 5 2HG GLU 5 -8.648 13.947 5.050 44 HG3 GLU 5 1HG GLU 5 -7.324 12.844 4.662 45 H ASP 6 H ASP 6 -8.027 9.039 5.368 46 HA ASP 6 HA ASP 6 -10.394 7.746 4.400 47 HB2 ASP 6 2HB ASP 6 -8.084 7.716 3.317 48 HB3 ASP 6 1HB ASP 6 -7.676 6.514 4.538 49 HA PRO 7 HA PRO 7 -11.014 5.436 8.226 50 HB2 PRO 7 2HB PRO 7 -12.880 3.773 6.754 51 HB3 PRO 7 1HB PRO 7 -13.235 4.972 8.002 52 HG2 PRO 7 2HG PRO 7 -13.909 5.238 5.369 53 HG3 PRO 7 1HG PRO 7 -13.638 6.608 6.455 54 HD2 PRO 7 2HD PRO 7 -11.864 5.457 4.363 55 HD3 PRO 7 1HD PRO 7 -12.113 7.143 4.881 56 H GLU 8 H GLU 8 -10.273 3.878 5.148 57 HA GLU 8 HA GLU 8 -9.808 1.363 6.435 58 HB2 GLU 8 2HB GLU 8 -9.119 2.345 3.664 59 HB3 GLU 8 1HB GLU 8 -8.989 0.673 4.208 60 HG2 GLU 8 2HG GLU 8 -11.546 2.261 4.119 61 HG3 GLU 8 1HG GLU 8 -10.995 1.172 2.850 62 H PHE 9 H PHE 9 -8.068 4.185 5.568 63 HA PHE 9 HA PHE 9 -5.450 3.199 5.840 64 HB2 PHE 9 2HB PHE 9 -5.875 5.363 4.781 65 HB3 PHE 9 1HB PHE 9 -6.416 6.031 6.323 66 HD1 PHE 9 2HD PHE 9 -3.506 4.554 4.587 67 HD2 PHE 9 1HD PHE 9 -4.871 6.953 7.822 68 HE1 PHE 9 2HE PHE 9 -1.186 5.146 5.121 69 HE2 PHE 9 1HE PHE 9 -2.556 7.546 8.366 70 HZ PHE 9 HZ PHE 9 -0.707 6.647 7.015 71 H VAL 10 H VAL 10 -7.596 4.620 8.221 72 HA VAL 10 HA VAL 10 -5.738 4.478 10.330 73 HB VAL 10 HB VAL 10 -7.817 5.876 10.504 74 HG11 VAL 10 1HG1 VAL 10 -9.900 4.915 11.308 75 HG12 VAL 10 2HG1 VAL 10 -9.230 3.299 11.086 76 HG13 VAL 10 3HG1 VAL 10 -9.478 4.349 9.690 77 HG21 VAL 10 3HG2 VAL 10 -8.202 5.522 12.910 78 HG22 VAL 10 1HG2 VAL 10 -6.494 5.504 12.472 79 HG23 VAL 10 2HG2 VAL 10 -7.335 3.988 12.801 80 H LYS 11 H LYS 11 -8.019 2.089 9.122 81 HA LYS 11 HA LYS 11 -7.471 0.081 11.015 82 HB2 LYS 11 2HB LYS 11 -8.004 -0.159 8.066 83 HB3 LYS 11 1HB LYS 11 -7.838 -1.547 9.126 84 HG2 LYS 11 2HG LYS 11 -9.764 -0.805 10.401 85 HG3 LYS 11 1HG LYS 11 -9.906 0.612 9.359 86 HD2 LYS 11 2HD LYS 11 -10.288 -0.748 7.428 87 HD3 LYS 11 1HD LYS 11 -9.962 -2.212 8.356 88 HE2 LYS 11 2HE LYS 11 -11.946 -2.033 9.545 89 HE3 LYS 11 1HE LYS 11 -12.213 -0.357 9.074 90 HZ1 LYS 11 3HZ LYS 11 -12.289 -2.718 7.267 91 HZ2 LYS 11 1HZ LYS 11 -12.489 -1.108 6.798 92 HZ3 LYS 11 2HZ LYS 11 -13.631 -1.836 7.814 93 H LEU 12 H LEU 12 -5.721 0.963 8.076 94 HA LEU 12 HA LEU 12 -3.686 -0.975 8.194 95 HB2 LEU 12 2HB LEU 12 -3.522 1.831 7.102 96 HB3 LEU 12 1HB LEU 12 -2.369 0.557 6.779 97 HG LEU 12 HG LEU 12 -5.261 0.573 5.909 98 HD11 LEU 12 1HD1 LEU 12 -3.922 2.202 4.714 99 HD12 LEU 12 2HD1 LEU 12 -4.321 0.826 3.677 100 HD13 LEU 12 3HD1 LEU 12 -2.708 0.969 4.372 101 HD21 LEU 12 3HD2 LEU 12 -4.443 -1.692 6.310 102 HD22 LEU 12 1HD2 LEU 12 -3.029 -1.358 5.310 103 HD23 LEU 12 2HD2 LEU 12 -4.633 -1.381 4.585 104 H ARG 13 H ARG 13 -3.986 2.152 9.694 105 HA ARG 13 HA ARG 13 -1.400 2.455 10.767 106 HB2 ARG 13 2HB ARG 13 -4.080 3.435 11.761 107 HB3 ARG 13 1HB ARG 13 -2.546 3.937 12.460 108 HG2 ARG 13 2HG ARG 13 -3.143 4.288 9.543 109 HG3 ARG 13 1HG ARG 13 -3.627 5.480 10.746 110 HD2 ARG 13 2HD ARG 13 -0.798 4.488 10.465 111 HD3 ARG 13 1HD ARG 13 -1.413 5.902 9.605 112 HE ARG 13 HE ARG 13 -1.998 6.767 11.856 113 HH11 ARG 13 1HH1 ARG 13 0.682 4.479 11.534 114 HH12 ARG 13 2HH1 ARG 13 1.560 5.154 12.845 115 HH21 ARG 13 1HH2 ARG 13 -0.736 7.674 13.610 116 HH22 ARG 13 2HH2 ARG 13 0.768 6.974 14.015 117 H GLN 14 H GLN 14 -4.203 0.761 11.928 118 HA GLN 14 HA GLN 14 -3.041 0.021 14.462 119 HB2 GLN 14 2HB GLN 14 -5.472 -1.018 13.024 120 HB3 GLN 14 1HB GLN 14 -5.072 -1.332 14.711 121 HG2 GLN 14 2HG GLN 14 -5.318 1.011 15.247 122 HG3 GLN 14 1HG GLN 14 -5.602 1.394 13.554 123 HE21 GLN 14 1HE2 GLN 14 -7.278 -0.998 13.151 124 HE22 GLN 14 2HE2 GLN 14 -8.770 -0.638 13.908 125 H PHE 15 H PHE 15 -3.608 -1.439 11.352 126 HA PHE 15 HA PHE 15 -2.800 -4.077 11.794 127 HB2 PHE 15 2HB PHE 15 -3.950 -3.181 9.766 128 HB3 PHE 15 1HB PHE 15 -2.472 -2.346 9.330 129 HD1 PHE 15 2HD PHE 15 -0.524 -3.629 8.526 130 HD2 PHE 15 1HD PHE 15 -4.260 -5.489 9.343 131 HE1 PHE 15 2HE PHE 15 0.164 -5.577 7.208 132 HE2 PHE 15 1HE PHE 15 -3.587 -7.439 8.021 133 HZ PHE 15 HZ PHE 15 -1.367 -7.490 6.947 134 H LYS 16 H LYS 16 -1.029 -1.261 10.664 135 HA LYS 16 HA LYS 16 1.027 -0.590 10.617 136 HB2 LYS 16 2HB LYS 16 0.970 -0.905 13.076 137 HB3 LYS 16 1HB LYS 16 1.561 -2.545 12.876 138 HG2 LYS 16 2HG LYS 16 3.665 -1.702 11.994 139 HG3 LYS 16 1HG LYS 16 3.072 -0.045 12.111 140 HD2 LYS 16 2HD LYS 16 2.843 -0.312 14.543 141 HD3 LYS 16 1HD LYS 16 3.463 -1.954 14.422 142 HE2 LYS 16 2HE LYS 16 5.597 -1.154 13.644 143 HE3 LYS 16 1HE LYS 16 5.010 0.504 13.573 144 HZ1 LYS 16 3HZ LYS 16 5.359 -1.131 16.041 145 HZ2 LYS 16 1HZ LYS 16 4.727 0.433 16.008 146 HZ3 LYS 16 2HZ LYS 16 6.317 0.134 15.559 147 H GLY 17 H GLY 17 2.199 -3.803 11.471 148 HA2 GLY 17 2HA GLY 17 2.903 -4.142 8.660 149 HA3 GLY 17 1HA GLY 17 4.216 -4.035 9.819 150 H LYS 18 H LYS 18 2.060 -6.019 8.298 151 HA LYS 18 HA LYS 18 2.894 -8.317 9.917 152 HB2 LYS 18 2HB LYS 18 0.093 -7.768 8.883 153 HB3 LYS 18 1HB LYS 18 0.606 -9.283 9.616 154 HG2 LYS 18 2HG LYS 18 0.920 -8.298 11.707 155 HG3 LYS 18 1HG LYS 18 0.860 -6.668 11.043 156 HD2 LYS 18 2HD LYS 18 -1.200 -7.137 12.231 157 HD3 LYS 18 1HD LYS 18 -1.551 -7.076 10.509 158 HE2 LYS 18 2HE LYS 18 -1.505 -9.516 10.420 159 HE3 LYS 18 1HE LYS 18 -1.156 -9.576 12.148 160 HZ1 LYS 18 3HZ LYS 18 -3.630 -8.506 10.889 161 HZ2 LYS 18 1HZ LYS 18 -3.272 -8.410 12.535 162 HZ3 LYS 18 2HZ LYS 18 -3.511 -9.897 11.798 163 H VAL 19 H VAL 19 3.626 -6.978 7.363 164 HA VAL 19 HA VAL 19 3.105 -9.097 5.393 165 HB VAL 19 HB VAL 19 3.058 -7.293 3.654 166 HG11 VAL 19 1HG1 VAL 19 0.959 -6.983 5.791 167 HG12 VAL 19 2HG1 VAL 19 0.941 -8.170 4.486 168 HG13 VAL 19 3HG1 VAL 19 0.804 -6.450 4.120 169 HG21 VAL 19 3HG2 VAL 19 2.646 -4.964 4.400 170 HG22 VAL 19 1HG2 VAL 19 4.262 -5.562 4.799 171 HG23 VAL 19 2HG2 VAL 19 3.019 -5.466 6.050 172 H ASN 20 H ASN 20 4.822 -8.979 3.637 173 HA ASN 20 HA ASN 20 7.362 -8.325 4.834 174 HB2 ASN 20 2HB ASN 20 6.620 -9.679 2.248 175 HB3 ASN 20 1HB ASN 20 8.256 -9.095 2.533 176 HD21 ASN 20 1HD2 ASN 20 7.273 -11.822 2.167 177 HD22 ASN 20 2HD2 ASN 20 7.811 -12.685 3.548 178 H PHE 21 H PHE 21 8.038 -6.391 4.840 179 HA PHE 21 HA PHE 21 7.020 -4.191 3.571 180 HB2 PHE 21 2HB PHE 21 8.407 -3.826 5.449 181 HB3 PHE 21 1HB PHE 21 9.759 -4.689 4.723 182 HD1 PHE 21 2HD PHE 21 7.655 -1.666 4.262 183 HD2 PHE 21 1HD PHE 21 11.423 -3.510 3.622 184 HE1 PHE 21 2HE PHE 21 8.529 0.440 3.354 185 HE2 PHE 21 1HE PHE 21 12.300 -1.413 2.706 186 HZ PHE 21 HZ PHE 21 10.846 0.568 2.562 187 H ASN 22 H ASN 22 9.782 -6.105 2.502 188 HA ASN 22 HA ASN 22 10.424 -4.398 0.348 189 HB2 ASN 22 2HB ASN 22 11.226 -7.239 0.920 190 HB3 ASN 22 1HB ASN 22 11.730 -6.409 -0.549 191 HD21 ASN 22 1HD2 ASN 22 12.065 -6.588 2.902 192 HD22 ASN 22 2HD2 ASN 22 13.456 -5.579 3.008 193 H LEU 23 H LEU 23 8.220 -7.062 0.614 194 HA LEU 23 HA LEU 23 7.913 -7.170 -2.210 195 HB2 LEU 23 2HB LEU 23 7.517 -9.168 -0.830 196 HB3 LEU 23 1HB LEU 23 6.157 -8.368 -0.067 197 HG LEU 23 HG LEU 23 4.904 -8.400 -2.153 198 HD11 LEU 23 1HD1 LEU 23 6.751 -8.073 -3.719 199 HD12 LEU 23 2HD1 LEU 23 5.809 -9.497 -4.146 200 HD13 LEU 23 3HD1 LEU 23 7.366 -9.681 -3.340 201 HD21 LEU 23 3HD2 LEU 23 4.655 -10.786 -2.433 202 HD22 LEU 23 1HD2 LEU 23 4.851 -10.387 -0.728 203 HD23 LEU 23 2HD2 LEU 23 6.207 -11.060 -1.636 204 H VAL 24 H VAL 24 6.160 -5.700 0.475 205 HA VAL 24 HA VAL 24 3.989 -4.640 -0.995 206 HB VAL 24 HB VAL 24 5.354 -3.335 1.384 207 HG11 VAL 24 1HG1 VAL 24 3.164 -2.291 1.792 208 HG12 VAL 24 2HG1 VAL 24 2.547 -3.021 0.309 209 HG13 VAL 24 3HG1 VAL 24 3.833 -1.820 0.231 210 HG21 VAL 24 3HG2 VAL 24 3.079 -5.302 1.313 211 HG22 VAL 24 1HG2 VAL 24 3.693 -4.469 2.740 212 HG23 VAL 24 2HG2 VAL 24 4.721 -5.619 1.885 213 H MET 25 H MET 25 7.173 -3.375 -0.281 214 HA MET 25 HA MET 25 6.994 -0.912 -1.571 215 HB2 MET 25 2HB MET 25 8.879 -1.553 -0.112 216 HB3 MET 25 1HB MET 25 9.400 -2.735 -1.291 217 HG2 MET 25 2HG MET 25 9.231 0.175 -1.959 218 HG3 MET 25 1HG MET 25 10.663 -0.493 -1.163 219 HE1 MET 25 3HE MET 25 10.791 -3.388 -2.712 220 HE2 MET 25 1HE MET 25 12.195 -2.375 -2.359 221 HE3 MET 25 2HE MET 25 11.915 -2.957 -3.997 222 H GLN 26 H GLN 26 7.862 -4.082 -2.818 223 HA GLN 26 HA GLN 26 8.311 -3.153 -5.410 224 HB2 GLN 26 2HB GLN 26 9.263 -5.273 -4.752 225 HB3 GLN 26 1HB GLN 26 7.673 -5.939 -4.417 226 HG2 GLN 26 2HG GLN 26 7.114 -5.767 -6.804 227 HG3 GLN 26 1HG GLN 26 8.729 -5.158 -7.124 228 HE21 GLN 26 1HE2 GLN 26 9.160 -6.845 -8.499 229 HE22 GLN 26 2HE2 GLN 26 9.482 -8.436 -7.948 230 H ILE 27 H ILE 27 5.441 -4.428 -3.779 231 HA ILE 27 HA ILE 27 3.675 -4.703 -5.938 232 HB ILE 27 HB ILE 27 2.999 -3.683 -3.152 233 HG12 ILE 27 2HG1 ILE 27 4.080 -5.887 -3.044 234 HG13 ILE 27 1HG1 ILE 27 2.399 -5.989 -2.558 235 HG21 ILE 27 1HG2 ILE 27 1.149 -4.876 -5.204 236 HG22 ILE 27 2HG2 ILE 27 1.190 -3.201 -4.669 237 HG23 ILE 27 3HG2 ILE 27 0.714 -4.472 -3.542 238 HD11 ILE 27 3HD1 ILE 27 3.575 -6.865 -5.187 239 HD12 ILE 27 1HD1 ILE 27 1.861 -6.917 -4.767 240 HD13 ILE 27 2HD1 ILE 27 3.013 -7.891 -3.862 241 H LEU 28 H LEU 28 4.250 -1.936 -3.853 242 HA LEU 28 HA LEU 28 2.594 -0.067 -5.152 243 HB2 LEU 28 2HB LEU 28 5.061 0.352 -3.475 244 HB3 LEU 28 1HB LEU 28 3.899 1.597 -3.890 245 HG LEU 28 HG LEU 28 3.237 -0.851 -2.247 246 HD11 LEU 28 1HD1 LEU 28 4.832 0.557 -1.078 247 HD12 LEU 28 2HD1 LEU 28 3.238 0.656 -0.336 248 HD13 LEU 28 3HD1 LEU 28 3.819 1.972 -1.358 249 HD21 LEU 28 3HD2 LEU 28 1.321 0.115 -3.408 250 HD22 LEU 28 1HD2 LEU 28 1.733 1.705 -2.765 251 HD23 LEU 28 2HD2 LEU 28 1.227 0.415 -1.674 252 H ASP 29 H ASP 29 5.987 -0.862 -5.473 253 HA ASP 29 HA ASP 29 6.768 1.176 -7.268 254 HB2 ASP 29 2HB ASP 29 8.277 -0.372 -5.924 255 HB3 ASP 29 1HB ASP 29 7.828 -1.600 -7.049 256 H GLU 30 H GLU 30 5.792 -2.122 -7.739 257 HA GLU 30 HA GLU 30 6.185 -2.281 -10.514 258 HB2 GLU 30 2HB GLU 30 5.823 -4.159 -8.746 259 HB3 GLU 30 1HB GLU 30 4.119 -3.934 -9.082 260 HG2 GLU 30 2HG GLU 30 4.522 -4.452 -11.437 261 HG3 GLU 30 1HG GLU 30 6.227 -4.691 -11.088 262 H ILE 31 H ILE 31 3.276 -1.419 -8.641 263 HA ILE 31 HA ILE 31 1.737 -1.033 -11.034 264 HB ILE 31 HB ILE 31 0.039 0.119 -9.655 265 HG12 ILE 31 2HG1 ILE 31 1.970 -0.259 -7.354 266 HG13 ILE 31 1HG1 ILE 31 1.526 1.277 -8.077 267 HG21 ILE 31 1HG2 ILE 31 0.034 -2.317 -9.786 268 HG22 ILE 31 2HG2 ILE 31 -0.604 -1.716 -8.256 269 HG23 ILE 31 3HG2 ILE 31 1.022 -2.382 -8.319 270 HD11 ILE 31 3HD1 ILE 31 0.372 0.916 -5.982 271 HD12 ILE 31 1HD1 ILE 31 -0.310 -0.587 -6.601 272 HD13 ILE 31 2HD1 ILE 31 -0.777 0.951 -7.326 273 H GLU 32 H GLU 32 3.670 1.075 -8.962 274 HA GLU 32 HA GLU 32 3.004 3.552 -9.989 275 HB2 GLU 32 2HB GLU 32 4.346 3.189 -7.983 276 HB3 GLU 32 1HB GLU 32 5.641 2.527 -8.954 277 HG2 GLU 32 2HG GLU 32 5.988 4.688 -9.990 278 HG3 GLU 32 1HG GLU 32 4.661 5.369 -9.039 279 H LEU 33 H LEU 33 5.670 1.425 -10.995 280 HA LEU 33 HA LEU 33 6.439 3.121 -13.108 281 HB2 LEU 33 2HB LEU 33 7.909 1.288 -13.870 282 HB3 LEU 33 1HB LEU 33 8.086 1.662 -12.178 283 HG LEU 33 HG LEU 33 6.526 -0.381 -11.803 284 HD11 LEU 33 1HD1 LEU 33 7.517 -1.017 -14.571 285 HD12 LEU 33 2HD1 LEU 33 5.841 -0.752 -14.088 286 HD13 LEU 33 3HD1 LEU 33 6.729 -2.143 -13.469 287 HD21 LEU 33 3HD2 LEU 33 9.371 -0.669 -12.736 288 HD22 LEU 33 1HD2 LEU 33 8.468 -1.887 -11.834 289 HD23 LEU 33 2HD2 LEU 33 8.818 -0.328 -11.094 290 H ASP 34 H ASP 34 4.091 0.590 -12.991 291 HA ASP 34 HA ASP 34 3.779 0.418 -15.852 292 HB2 ASP 34 2HB ASP 34 3.085 -1.427 -14.337 293 HB3 ASP 34 1HB ASP 34 1.823 -0.390 -13.684 294 H LEU 35 H LEU 35 1.976 1.929 -13.230 295 HA LEU 35 HA LEU 35 -0.013 3.169 -14.753 296 HB2 LEU 35 2HB LEU 35 -0.168 2.791 -12.353 297 HB3 LEU 35 1HB LEU 35 1.147 3.911 -12.078 298 HG LEU 35 HG LEU 35 -0.274 5.738 -12.940 299 HD11 LEU 35 1HD1 LEU 35 -2.429 3.633 -12.992 300 HD12 LEU 35 2HD1 LEU 35 -1.753 4.465 -14.381 301 HD13 LEU 35 3HD1 LEU 35 -2.678 5.366 -13.181 302 HD21 LEU 35 3HD2 LEU 35 -0.106 5.365 -10.572 303 HD22 LEU 35 1HD2 LEU 35 -1.361 4.133 -10.640 304 HD23 LEU 35 2HD2 LEU 35 -1.760 5.817 -10.976 305 H ARG 36 H ARG 36 3.239 4.017 -14.091 306 HA ARG 36 HA ARG 36 3.467 6.714 -14.408 307 HB2 ARG 36 2HB ARG 36 5.337 5.144 -13.980 308 HB3 ARG 36 1HB ARG 36 5.280 4.634 -15.658 309 HG2 ARG 36 2HG ARG 36 7.081 6.164 -15.432 310 HG3 ARG 36 1HG ARG 36 5.790 7.007 -16.290 311 HD2 ARG 36 2HD ARG 36 6.706 8.487 -14.643 312 HD3 ARG 36 1HD ARG 36 5.091 8.018 -14.119 313 HE ARG 36 HE ARG 36 7.141 6.335 -13.039 314 HH11 ARG 36 1HH1 ARG 36 5.362 9.358 -12.485 315 HH12 ARG 36 2HH1 ARG 36 5.873 9.499 -10.864 316 HH21 ARG 36 1HH2 ARG 36 7.833 6.558 -10.854 317 HH22 ARG 36 2HH2 ARG 36 7.347 7.895 -9.919 318 H GLY 37 H GLY 37 2.978 4.316 -16.976 319 HA2 GLY 37 2HA GLY 37 1.803 6.242 -18.681 320 HA3 GLY 37 1HA GLY 37 3.455 5.912 -19.183 321 H SER 38 H SER 38 0.675 3.983 -18.072 322 HA SER 38 HA SER 38 0.757 2.610 -20.592 323 HB2 SER 38 2HB SER 38 1.163 1.086 -18.012 324 HB3 SER 38 1HB SER 38 0.841 0.347 -19.581 325 HG SER 38 HG SER 38 2.809 2.075 -19.889 326 H ASP 39 H ASP 39 -0.814 1.703 -17.469 327 HA ASP 39 HA ASP 39 -3.342 1.984 -18.962 328 HB2 ASP 39 2HB ASP 39 -2.289 -0.417 -18.593 329 HB3 ASP 39 1HB ASP 39 -2.950 -0.235 -16.978 330 H ASN 40 H ASN 40 -4.909 1.060 -16.835 331 HA ASN 40 HA ASN 40 -5.156 3.425 -15.195 332 HB2 ASN 40 2HB ASN 40 -7.053 1.942 -16.299 333 HB3 ASN 40 1HB ASN 40 -6.680 0.854 -15.023 334 HD21 ASN 40 1HD2 ASN 40 -9.096 2.437 -15.618 335 HD22 ASN 40 2HD2 ASN 40 -9.501 3.235 -14.149 336 H ILE 41 H ILE 41 -4.910 3.349 -12.927 337 HA ILE 41 HA ILE 41 -2.901 1.706 -11.908 338 HB ILE 41 HB ILE 41 -3.342 3.857 -10.860 339 HG12 ILE 41 2HG1 ILE 41 -3.852 1.566 -8.942 340 HG13 ILE 41 1HG1 ILE 41 -2.275 2.083 -9.513 341 HG21 ILE 41 1HG2 ILE 41 -5.729 4.015 -11.130 342 HG22 ILE 41 2HG2 ILE 41 -5.321 4.228 -9.426 343 HG23 ILE 41 3HG2 ILE 41 -5.978 2.691 -9.998 344 HD11 ILE 41 3HD1 ILE 41 -4.162 3.648 -7.791 345 HD12 ILE 41 1HD1 ILE 41 -2.603 4.229 -8.395 346 HD13 ILE 41 2HD1 ILE 41 -2.669 2.843 -7.297 347 H LYS 42 H LYS 42 -6.388 1.351 -11.753 348 HA LYS 42 HA LYS 42 -6.311 -0.818 -9.940 349 HB2 LYS 42 2HB LYS 42 -8.617 -1.318 -10.669 350 HB3 LYS 42 1HB LYS 42 -8.395 0.348 -10.154 351 HG2 LYS 42 2HG LYS 42 -8.308 1.027 -12.524 352 HG3 LYS 42 1HG LYS 42 -8.593 -0.651 -12.989 353 HD2 LYS 42 2HD LYS 42 -10.471 1.038 -11.315 354 HD3 LYS 42 1HD LYS 42 -10.664 0.709 -13.035 355 HE2 LYS 42 2HE LYS 42 -10.848 -1.680 -12.570 356 HE3 LYS 42 1HE LYS 42 -10.616 -1.371 -10.850 357 HZ1 LYS 42 3HZ LYS 42 -12.909 -1.737 -11.522 358 HZ2 LYS 42 1HZ LYS 42 -12.877 -0.349 -12.456 359 HZ3 LYS 42 2HZ LYS 42 -12.713 -0.240 -10.771 360 H THR 43 H THR 43 -5.995 -0.600 -13.383 361 HA THR 43 HA THR 43 -6.208 -3.350 -13.868 362 HB THR 43 HB THR 43 -4.683 -1.366 -15.557 363 HG1 THR 43 1HG THR 43 -6.594 -0.854 -16.469 364 HG21 THR 43 3HG2 THR 43 -5.460 -2.806 -17.377 365 HG22 THR 43 1HG2 THR 43 -6.301 -3.831 -16.214 366 HG23 THR 43 2HG2 THR 43 -4.540 -3.734 -16.193 367 H SER 44 H SER 44 -3.523 -1.037 -13.309 368 HA SER 44 HA SER 44 -1.361 -2.723 -13.626 369 HB2 SER 44 2HB SER 44 -1.624 -0.411 -11.686 370 HB3 SER 44 1HB SER 44 -0.130 -1.037 -12.381 371 HG SER 44 HG SER 44 -0.769 -0.289 -14.407 372 H ILE 45 H ILE 45 -3.396 -2.039 -10.830 373 HA ILE 45 HA ILE 45 -2.191 -3.462 -8.786 374 HB ILE 45 HB ILE 45 -5.130 -3.065 -9.422 375 HG12 ILE 45 2HG1 ILE 45 -3.819 -1.031 -8.840 376 HG13 ILE 45 1HG1 ILE 45 -5.131 -1.355 -7.717 377 HG21 ILE 45 1HG2 ILE 45 -5.700 -3.715 -7.142 378 HG22 ILE 45 2HG2 ILE 45 -4.030 -4.212 -6.875 379 HG23 ILE 45 3HG2 ILE 45 -5.017 -5.054 -8.072 380 HD11 ILE 45 3HD1 ILE 45 -3.095 -0.597 -6.598 381 HD12 ILE 45 1HD1 ILE 45 -2.224 -1.995 -7.224 382 HD13 ILE 45 2HD1 ILE 45 -3.554 -2.222 -6.095 383 H ILE 46 H ILE 46 -4.396 -4.648 -11.284 384 HA ILE 46 HA ILE 46 -4.743 -7.243 -10.339 385 HB ILE 46 HB ILE 46 -4.807 -6.340 -13.232 386 HG12 ILE 46 2HG1 ILE 46 -7.026 -6.531 -11.174 387 HG13 ILE 46 1HG1 ILE 46 -6.302 -5.049 -11.787 388 HG21 ILE 46 1HG2 ILE 46 -6.279 -8.287 -13.575 389 HG22 ILE 46 2HG2 ILE 46 -6.013 -8.781 -11.904 390 HG23 ILE 46 3HG2 ILE 46 -4.669 -8.773 -13.046 391 HD11 ILE 46 3HD1 ILE 46 -7.846 -7.038 -13.434 392 HD12 ILE 46 1HD1 ILE 46 -7.171 -5.510 -13.997 393 HD13 ILE 46 2HD1 ILE 46 -8.470 -5.511 -12.806 394 H TYR 47 H TYR 47 -2.332 -6.021 -12.653 395 HA TYR 47 HA TYR 47 -1.184 -8.490 -13.379 396 HB2 TYR 47 2HB TYR 47 0.371 -5.928 -13.081 397 HB3 TYR 47 1HB TYR 47 0.755 -7.294 -14.110 398 HD1 TYR 47 2HD TYR 47 -1.586 -7.827 -15.630 399 HD2 TYR 47 1HD TYR 47 -0.085 -4.110 -14.273 400 HE1 TYR 47 2HE TYR 47 -2.737 -6.713 -17.470 401 HE2 TYR 47 1HE TYR 47 -1.207 -2.949 -16.054 402 HH TYR 47 HH TYR 47 -2.130 -3.511 -18.386 403 H VAL 48 H VAL 48 -0.479 -6.260 -10.831 404 HA VAL 48 HA VAL 48 1.846 -7.570 -9.913 405 HB VAL 48 HB VAL 48 0.098 -5.539 -8.513 406 HG11 VAL 48 1HG1 VAL 48 1.613 -6.692 -6.988 407 HG12 VAL 48 2HG1 VAL 48 2.088 -5.010 -7.227 408 HG13 VAL 48 3HG1 VAL 48 2.977 -6.300 -8.039 409 HG21 VAL 48 3HG2 VAL 48 1.749 -3.906 -9.365 410 HG22 VAL 48 1HG2 VAL 48 0.837 -4.710 -10.644 411 HG23 VAL 48 2HG2 VAL 48 2.487 -5.205 -10.298 412 H TYR 49 H TYR 49 -1.483 -7.367 -8.741 413 HA TYR 49 HA TYR 49 -1.059 -8.988 -6.517 414 HB2 TYR 49 2HB TYR 49 -3.576 -8.217 -7.973 415 HB3 TYR 49 1HB TYR 49 -3.605 -9.315 -6.600 416 HD1 TYR 49 2HD TYR 49 -1.158 -6.577 -6.575 417 HD2 TYR 49 1HD TYR 49 -5.081 -7.749 -5.422 418 HE1 TYR 49 2HE TYR 49 -1.265 -4.675 -5.025 419 HE2 TYR 49 1HE TYR 49 -5.192 -5.847 -3.861 420 HH TYR 49 HH TYR 49 -3.826 -4.328 -2.723 421 H SER 50 H SER 50 -2.074 -9.789 -9.789 422 HA SER 50 HA SER 50 -2.664 -12.494 -9.296 423 HB2 SER 50 2HB SER 50 -3.492 -11.312 -11.266 424 HB3 SER 50 1HB SER 50 -1.847 -11.087 -11.849 425 HG SER 50 HG SER 50 -3.421 -13.407 -11.731 426 H SER 51 H SER 51 0.360 -10.844 -9.940 427 HA SER 51 HA SER 51 1.760 -13.313 -10.483 428 HB2 SER 51 2HB SER 51 2.377 -11.230 -11.649 429 HB3 SER 51 1HB SER 51 2.817 -10.495 -10.113 430 HG SER 51 HG SER 51 4.446 -11.554 -11.589 431 H HIS 52 H HIS 52 1.091 -11.304 -7.751 432 HA HIS 52 HA HIS 52 3.103 -12.767 -6.148 433 HB2 HIS 52 2HB HIS 52 2.031 -9.963 -5.649 434 HB3 HIS 52 1HB HIS 52 3.250 -10.781 -4.690 435 HD1 HIS 52 1HD HIS 52 5.681 -10.959 -5.812 436 HD2 HIS 52 2HD HIS 52 2.944 -8.674 -7.937 437 HE1 HIS 52 1HE HIS 52 7.034 -9.598 -7.437 438 HE2 HIS 52 2HE HIS 52 5.371 -8.130 -8.625 439 H LEU 53 H LEU 53 0.506 -13.710 -6.686 440 HA LEU 53 HA LEU 53 -1.655 -13.083 -5.127 441 HB2 LEU 53 2HB LEU 53 -0.775 -15.767 -6.092 442 HB3 LEU 53 1HB LEU 53 -2.294 -15.516 -5.267 443 HG LEU 53 HG LEU 53 -1.487 -14.202 -7.835 444 HD11 LEU 53 1HD1 LEU 53 -3.140 -15.774 -8.846 445 HD12 LEU 53 2HD1 LEU 53 -3.310 -16.557 -7.273 446 HD13 LEU 53 3HD1 LEU 53 -1.768 -16.611 -8.124 447 HD21 LEU 53 3HD2 LEU 53 -3.913 -13.660 -7.983 448 HD22 LEU 53 1HD2 LEU 53 -3.117 -12.878 -6.613 449 HD23 LEU 53 2HD2 LEU 53 -4.115 -14.306 -6.357 450 H ASP 54 H ASP 54 1.002 -15.109 -4.118 451 HA ASP 54 HA ASP 54 -0.251 -16.322 -1.924 452 HB2 ASP 54 2HB ASP 54 1.885 -17.154 -2.740 453 HB3 ASP 54 1HB ASP 54 2.693 -15.695 -2.173 454 H GLU 55 H GLU 55 1.767 -13.393 -1.880 455 HA GLU 55 HA GLU 55 1.283 -12.947 0.909 456 HB2 GLU 55 2HB GLU 55 3.295 -12.115 -0.298 457 HB3 GLU 55 1HB GLU 55 2.272 -11.013 -1.195 458 HG2 GLU 55 2HG GLU 55 3.401 -9.809 0.563 459 HG3 GLU 55 1HG GLU 55 1.684 -9.866 0.911 460 H ILE 56 H ILE 56 -0.199 -11.998 -2.071 461 HA ILE 56 HA ILE 56 -1.755 -9.846 -1.125 462 HB ILE 56 HB ILE 56 -2.440 -11.712 -3.413 463 HG12 ILE 56 2HG1 ILE 56 -0.284 -10.709 -3.890 464 HG13 ILE 56 1HG1 ILE 56 -1.516 -9.940 -4.873 465 HG21 ILE 56 1HG2 ILE 56 -3.793 -9.848 -4.270 466 HG22 ILE 56 2HG2 ILE 56 -3.466 -8.953 -2.787 467 HG23 ILE 56 3HG2 ILE 56 -4.374 -10.463 -2.722 468 HD11 ILE 56 3HD1 ILE 56 0.082 -8.329 -4.033 469 HD12 ILE 56 1HD1 ILE 56 -0.302 -8.787 -2.374 470 HD13 ILE 56 2HD1 ILE 56 -1.528 -8.021 -3.384 471 H ARG 57 H ARG 57 -2.497 -13.304 -1.421 472 HA ARG 57 HA ARG 57 -5.127 -12.936 -0.326 473 HB2 ARG 57 2HB ARG 57 -5.387 -15.318 -0.435 474 HB3 ARG 57 1HB ARG 57 -4.511 -14.833 -1.876 475 HG2 ARG 57 2HG ARG 57 -2.420 -15.560 -0.864 476 HG3 ARG 57 1HG ARG 57 -3.279 -16.009 0.606 477 HD2 ARG 57 2HD ARG 57 -2.910 -18.000 -0.665 478 HD3 ARG 57 1HD ARG 57 -4.621 -17.602 -0.763 479 HE ARG 57 HE ARG 57 -4.310 -16.889 -2.984 480 HH11 ARG 57 1HH1 ARG 57 -1.385 -18.336 -1.576 481 HH12 ARG 57 2HH1 ARG 57 -0.732 -18.785 -3.076 482 HH21 ARG 57 1HH2 ARG 57 -3.431 -17.505 -5.002 483 HH22 ARG 57 2HH2 ARG 57 -1.919 -18.298 -5.102 484 H LYS 58 H LYS 58 -1.968 -13.536 0.927 485 HA LYS 58 HA LYS 58 -2.713 -14.711 3.378 486 HB2 LYS 58 2HB LYS 58 -0.509 -14.913 2.172 487 HB3 LYS 58 1HB LYS 58 -0.165 -13.266 2.626 488 HG2 LYS 58 2HG LYS 58 -0.666 -15.392 4.679 489 HG3 LYS 58 1HG LYS 58 0.916 -15.165 3.945 490 HD2 LYS 58 2HD LYS 58 0.068 -12.624 4.718 491 HD3 LYS 58 1HD LYS 58 -0.361 -13.693 6.053 492 HE2 LYS 58 2HE LYS 58 1.883 -12.797 6.309 493 HE3 LYS 58 1HE LYS 58 1.900 -14.551 6.112 494 HZ1 LYS 58 3HZ LYS 58 3.612 -13.415 4.809 495 HZ2 LYS 58 1HZ LYS 58 2.444 -12.597 3.919 496 HZ3 LYS 58 2HZ LYS 58 2.574 -14.267 3.803 497 H ASN 59 H ASN 59 -2.205 -11.466 2.243 498 HA ASN 59 HA ASN 59 -3.457 -10.525 4.710 499 HB2 ASN 59 2HB ASN 59 -1.226 -9.150 3.193 500 HB3 ASN 59 1HB ASN 59 -2.230 -8.353 4.400 501 HD21 ASN 59 1HD2 ASN 59 0.413 -10.546 3.864 502 HD22 ASN 59 2HD2 ASN 59 0.783 -10.698 5.528 503 H LYS 60 H LYS 60 -5.099 -11.226 2.933 504 HA LYS 60 HA LYS 60 -5.545 -9.489 0.762 505 HB2 LYS 60 2HB LYS 60 -7.734 -10.486 0.503 506 HB3 LYS 60 1HB LYS 60 -6.543 -11.734 0.821 507 HG2 LYS 60 2HG LYS 60 -7.310 -11.934 3.098 508 HG3 LYS 60 1HG LYS 60 -8.429 -10.586 2.867 509 HD2 LYS 60 2HD LYS 60 -9.566 -11.890 1.101 510 HD3 LYS 60 1HD LYS 60 -8.472 -13.232 1.440 511 HE2 LYS 60 2HE LYS 60 -10.405 -12.004 3.399 512 HE3 LYS 60 1HE LYS 60 -10.655 -13.510 2.526 513 HZ1 LYS 60 3HZ LYS 60 -8.532 -12.994 4.562 514 HZ2 LYS 60 1HZ LYS 60 -8.704 -14.423 3.656 515 HZ3 LYS 60 2HZ LYS 60 -9.905 -13.955 4.711 516 H GLU 61 H GLU 61 -6.372 -9.251 4.063 517 HA GLU 61 HA GLU 61 -8.370 -7.293 3.994 518 HB2 GLU 61 2HB GLU 61 -6.124 -7.553 5.991 519 HB3 GLU 61 1HB GLU 61 -7.699 -6.813 6.224 520 HG2 GLU 61 2HG GLU 61 -7.171 -9.749 5.776 521 HG3 GLU 61 1HG GLU 61 -7.556 -9.001 7.324 522 H PHE 62 H PHE 62 -4.898 -7.061 4.482 523 HA PHE 62 HA PHE 62 -4.575 -4.286 4.422 524 HB2 PHE 62 2HB PHE 62 -2.886 -5.789 5.341 525 HB3 PHE 62 1HB PHE 62 -2.654 -6.515 3.759 526 HD1 PHE 62 1HD PHE 62 -2.219 -3.388 5.675 527 HD2 PHE 62 2HD PHE 62 -1.092 -5.633 2.250 528 HE1 PHE 62 1HE PHE 62 -0.406 -1.793 5.228 529 HE2 PHE 62 2HE PHE 62 0.723 -4.044 1.791 530 HZ PHE 62 HZ PHE 62 1.068 -2.117 3.283 531 H TYR 63 H TYR 63 -4.080 -6.716 1.895 532 HA TYR 63 HA TYR 63 -3.333 -4.793 0.015 533 HB2 TYR 63 2HB TYR 63 -3.937 -7.703 -0.270 534 HB3 TYR 63 1HB TYR 63 -3.565 -6.687 -1.669 535 HD1 TYR 63 1HD TYR 63 -1.411 -5.397 -1.673 536 HD2 TYR 63 2HD TYR 63 -2.186 -8.507 1.107 537 HE1 TYR 63 1HE TYR 63 0.991 -5.558 -1.202 538 HE2 TYR 63 2HE TYR 63 0.209 -8.688 1.588 539 HH TYR 63 HH TYR 63 2.334 -8.160 0.490 540 H ASP 64 H ASP 64 -6.500 -5.942 0.871 541 HA ASP 64 HA ASP 64 -7.621 -4.928 -1.578 542 HB2 ASP 64 2HB ASP 64 -8.849 -6.653 -0.365 543 HB3 ASP 64 1HB ASP 64 -8.962 -5.601 1.042 544 H MET 65 H MET 65 -7.369 -3.832 1.765 545 HA MET 65 HA MET 65 -8.654 -1.394 1.451 546 HB2 MET 65 2HB MET 65 -6.514 -2.235 3.391 547 HB3 MET 65 1HB MET 65 -7.276 -0.655 3.454 548 HG2 MET 65 2HG MET 65 -9.469 -1.787 3.695 549 HG3 MET 65 1HG MET 65 -8.608 -3.318 3.733 550 HE1 MET 65 3HE MET 65 -7.208 -4.208 5.768 551 HE2 MET 65 1HE MET 65 -6.678 -3.190 7.103 552 HE3 MET 65 2HE MET 65 -6.080 -2.884 5.472 553 H ILE 66 H ILE 66 -5.157 -2.110 1.194 554 HA ILE 66 HA ILE 66 -4.572 0.571 0.629 555 HB ILE 66 HB ILE 66 -2.376 -0.094 -0.234 556 HG12 ILE 66 2HG1 ILE 66 -3.129 -2.927 0.369 557 HG13 ILE 66 1HG1 ILE 66 -3.207 -2.286 -1.270 558 HG21 ILE 66 1HG2 ILE 66 -2.663 0.205 2.138 559 HG22 ILE 66 2HG2 ILE 66 -1.510 -1.098 1.828 560 HG23 ILE 66 3HG2 ILE 66 -3.162 -1.478 2.313 561 HD11 ILE 66 3HD1 ILE 66 -0.827 -1.768 -1.147 562 HD12 ILE 66 1HD1 ILE 66 -1.136 -3.490 -0.921 563 HD13 ILE 66 2HD1 ILE 66 -0.762 -2.467 0.473 564 H ALA 67 H ALA 67 -5.323 -2.097 -1.571 565 HA ALA 67 HA ALA 67 -4.667 -0.845 -3.977 566 HB1 ALA 67 1HB ALA 67 -6.961 -2.731 -3.465 567 HB2 ALA 67 2HB ALA 67 -5.302 -3.207 -3.829 568 HB3 ALA 67 3HB ALA 67 -6.264 -2.359 -5.041 569 H GLU 68 H GLU 68 -7.537 -0.649 -2.033 570 HA GLU 68 HA GLU 68 -9.124 0.897 -3.795 571 HB2 GLU 68 2HB GLU 68 -9.956 -0.490 -1.954 572 HB3 GLU 68 1HB GLU 68 -9.185 0.575 -0.791 573 HG2 GLU 68 2HG GLU 68 -11.493 1.068 -0.847 574 HG3 GLU 68 1HG GLU 68 -10.622 2.397 -1.608 575 H ILE 69 H ILE 69 -7.247 1.690 -0.896 576 HA ILE 69 HA ILE 69 -7.592 4.466 -0.897 577 HB ILE 69 HB ILE 69 -5.320 2.811 0.223 578 HG12 ILE 69 2HG1 ILE 69 -7.751 3.973 1.583 579 HG13 ILE 69 1HG1 ILE 69 -7.595 2.291 1.086 580 HG21 ILE 69 1HG2 ILE 69 -4.618 5.142 -0.006 581 HG22 ILE 69 2HG2 ILE 69 -4.848 4.716 1.690 582 HG23 ILE 69 3HG2 ILE 69 -6.069 5.669 0.850 583 HD11 ILE 69 3HD1 ILE 69 -5.865 3.724 3.088 584 HD12 ILE 69 1HD1 ILE 69 -5.700 2.040 2.606 585 HD13 ILE 69 2HD1 ILE 69 -7.144 2.569 3.466 586 H LEU 70 H LEU 70 -5.015 2.488 -2.327 587 HA LEU 70 HA LEU 70 -3.275 4.433 -3.220 588 HB2 LEU 70 2HB LEU 70 -4.033 1.834 -4.549 589 HB3 LEU 70 1HB LEU 70 -2.689 2.833 -5.054 590 HG LEU 70 HG LEU 70 -2.923 1.555 -2.330 591 HD11 LEU 70 1HD1 LEU 70 -1.225 -0.009 -3.121 592 HD12 LEU 70 2HD1 LEU 70 -1.327 0.698 -4.734 593 HD13 LEU 70 3HD1 LEU 70 -2.716 -0.144 -4.051 594 HD21 LEU 70 3HD2 LEU 70 -0.631 2.937 -3.717 595 HD22 LEU 70 1HD2 LEU 70 -0.549 2.113 -2.159 596 HD23 LEU 70 2HD2 LEU 70 -1.550 3.551 -2.343 597 H GLN 71 H GLN 71 -6.141 3.188 -4.858 598 HA GLN 71 HA GLN 71 -5.751 4.781 -7.191 599 HB2 GLN 71 2HB GLN 71 -8.352 3.609 -6.193 600 HB3 GLN 71 1HB GLN 71 -7.971 4.081 -7.845 601 HG2 GLN 71 2HG GLN 71 -6.244 2.334 -7.930 602 HG3 GLN 71 1HG GLN 71 -6.667 1.862 -6.294 603 HE21 GLN 71 1HE2 GLN 71 -7.278 -0.129 -6.763 604 HE22 GLN 71 2HE2 GLN 71 -8.672 -0.567 -7.681 605 H ARG 72 H ARG 72 -7.692 5.218 -4.244 606 HA ARG 72 HA ARG 72 -9.091 7.467 -4.977 607 HB2 ARG 72 2HB ARG 72 -9.623 5.940 -3.181 608 HB3 ARG 72 1HB ARG 72 -8.142 6.368 -2.356 609 HG2 ARG 72 2HG ARG 72 -8.979 8.564 -1.931 610 HG3 ARG 72 1HG ARG 72 -10.434 8.222 -2.882 611 HD2 ARG 72 2HD ARG 72 -9.566 6.695 -0.433 612 HD3 ARG 72 1HD ARG 72 -10.776 7.975 -0.500 613 HE ARG 72 HE ARG 72 -11.815 6.363 -2.264 614 HH11 ARG 72 1HH1 ARG 72 -10.423 5.409 0.924 615 HH12 ARG 72 2HH1 ARG 72 -11.413 4.042 1.023 616 HH21 ARG 72 1HH2 ARG 72 -13.160 4.479 -1.992 617 HH22 ARG 72 2HH2 ARG 72 -12.958 3.517 -0.593 618 H TYR 73 H TYR 73 -6.008 7.100 -3.226 619 HA TYR 73 HA TYR 73 -5.781 9.959 -3.125 620 HB2 TYR 73 2HB TYR 73 -4.195 7.784 -1.839 621 HB3 TYR 73 1HB TYR 73 -3.593 9.443 -1.885 622 HD1 TYR 73 1HD TYR 73 -6.369 7.316 -0.701 623 HD2 TYR 73 2HD TYR 73 -4.469 11.106 -0.492 624 HE1 TYR 73 1HE TYR 73 -7.782 7.913 1.212 625 HE2 TYR 73 2HE TYR 73 -5.870 11.715 1.420 626 HH TYR 73 HH TYR 73 -7.902 11.146 2.354 627 H TYR 74 H TYR 74 -4.689 7.572 -5.270 628 HA TYR 74 HA TYR 74 -2.417 8.976 -6.194 629 HB2 TYR 74 2HB TYR 74 -2.206 7.076 -7.412 630 HB3 TYR 74 1HB TYR 74 -3.806 6.573 -6.914 631 HD1 TYR 74 2HD TYR 74 -1.829 8.098 -9.605 632 HD2 TYR 74 1HD TYR 74 -5.700 6.827 -8.406 633 HE1 TYR 74 2HE TYR 74 -2.602 8.256 -11.929 634 HE2 TYR 74 1HE TYR 74 -6.480 6.981 -10.715 635 HH TYR 74 HH TYR 74 -5.839 8.249 -12.790 636 H LYS 75 H LYS 75 -5.803 9.193 -6.757 637 HA LYS 75 HA LYS 75 -5.719 11.026 -8.925 638 HB2 LYS 75 2HB LYS 75 -7.880 10.406 -6.917 639 HB3 LYS 75 1HB LYS 75 -8.127 11.333 -8.380 640 HG2 LYS 75 2HG LYS 75 -7.558 9.388 -9.724 641 HG3 LYS 75 1HG LYS 75 -7.271 8.462 -8.255 642 HD2 LYS 75 2HD LYS 75 -9.482 7.933 -9.055 643 HD3 LYS 75 1HD LYS 75 -9.595 8.896 -7.577 644 HE2 LYS 75 2HE LYS 75 -11.222 9.595 -9.255 645 HE3 LYS 75 1HE LYS 75 -10.101 10.888 -8.851 646 HZ1 LYS 75 3HZ LYS 75 -8.897 10.425 -10.890 647 HZ2 LYS 75 1HZ LYS 75 -10.510 10.745 -11.218 648 HZ3 LYS 75 2HZ LYS 75 -9.932 9.158 -11.273 649 H LYS 76 H LYS 76 -5.774 11.289 -5.441 650 HA LYS 76 HA LYS 76 -6.325 14.119 -5.534 651 HB2 LYS 76 2HB LYS 76 -7.320 12.761 -3.755 652 HB3 LYS 76 1HB LYS 76 -5.716 12.384 -3.143 653 HG2 LYS 76 2HG LYS 76 -5.336 14.753 -2.644 654 HG3 LYS 76 1HG LYS 76 -6.923 15.144 -3.284 655 HD2 LYS 76 2HD LYS 76 -6.367 13.410 -0.869 656 HD3 LYS 76 1HD LYS 76 -6.929 15.079 -0.835 657 HE2 LYS 76 2HE LYS 76 -8.922 14.286 -2.186 658 HE3 LYS 76 1HE LYS 76 -8.389 12.645 -1.834 659 HZ1 LYS 76 3HZ LYS 76 -9.252 14.707 0.108 660 HZ2 LYS 76 1HZ LYS 76 -8.568 13.245 0.595 661 HZ3 LYS 76 2HZ LYS 76 -10.011 13.262 -0.248 662 H ILE 77 H ILE 77 -3.548 12.138 -4.454 663 HA ILE 77 HA ILE 77 -1.994 14.640 -4.452 664 HB ILE 77 HB ILE 77 -0.611 13.783 -2.631 665 HG12 ILE 77 2HG1 ILE 77 -2.424 11.348 -2.748 666 HG13 ILE 77 1HG1 ILE 77 -0.706 11.413 -3.007 667 HG21 ILE 77 1HG2 ILE 77 -2.279 13.875 -0.825 668 HG22 ILE 77 2HG2 ILE 77 -3.554 13.681 -2.025 669 HG23 ILE 77 3HG2 ILE 77 -2.530 15.122 -2.050 670 HD11 ILE 77 3HD1 ILE 77 -0.330 11.975 -0.675 671 HD12 ILE 77 1HD1 ILE 77 -1.230 10.464 -0.830 672 HD13 ILE 77 2HD1 ILE 77 -2.068 11.947 -0.377 673 H GLY 78 H GLY 78 -2.029 11.285 -5.338 674 HA2 GLY 78 2HA GLY 78 -0.805 10.947 -7.503 675 HA3 GLY 78 1HA GLY 78 0.563 11.681 -6.666 676 H ILE 79 H ILE 79 0.166 8.980 -7.837 677 HA ILE 79 HA ILE 79 -0.215 7.072 -5.785 678 HB ILE 79 HB ILE 79 -0.445 6.410 -8.133 679 HG12 ILE 79 2HG1 ILE 79 0.869 4.309 -8.137 680 HG13 ILE 79 1HG1 ILE 79 1.856 4.933 -6.823 681 HG21 ILE 79 1HG2 ILE 79 1.509 6.134 -9.611 682 HG22 ILE 79 2HG2 ILE 79 2.498 6.947 -8.399 683 HG23 ILE 79 3HG2 ILE 79 1.179 7.813 -9.186 684 HD11 ILE 79 3HD1 ILE 79 -1.099 4.377 -6.687 685 HD12 ILE 79 1HD1 ILE 79 -0.087 4.942 -5.361 686 HD13 ILE 79 2HD1 ILE 79 0.175 3.341 -6.050 687 H GLU 80 H GLU 80 2.629 8.722 -6.927 688 HA GLU 80 HA GLU 80 4.548 7.130 -5.643 689 HB2 GLU 80 2HB GLU 80 4.598 10.003 -6.453 690 HB3 GLU 80 1HB GLU 80 6.001 9.088 -5.931 691 HG2 GLU 80 2HG GLU 80 5.579 7.504 -7.801 692 HG3 GLU 80 1HG GLU 80 4.265 8.544 -8.336 693 H ASN 81 H ASN 81 2.732 9.873 -4.651 694 HA ASN 81 HA ASN 81 4.071 10.377 -2.187 695 HB2 ASN 81 2HB ASN 81 2.070 11.815 -3.463 696 HB3 ASN 81 1HB ASN 81 1.167 10.864 -2.339 697 HD21 ASN 81 1HD2 ASN 81 3.736 13.171 -2.465 698 HD22 ASN 81 2HD2 ASN 81 3.604 13.756 -0.851 699 H VAL 82 H VAL 82 1.229 8.518 -3.081 700 HA VAL 82 HA VAL 82 0.511 7.662 -0.481 701 HB VAL 82 HB VAL 82 -0.137 6.221 -3.063 702 HG11 VAL 82 1HG1 VAL 82 -2.174 5.545 -1.857 703 HG12 VAL 82 2HG1 VAL 82 -1.606 6.412 -0.431 704 HG13 VAL 82 3HG1 VAL 82 -0.714 5.010 -1.018 705 HG21 VAL 82 3HG2 VAL 82 -1.570 8.540 -1.797 706 HG22 VAL 82 1HG2 VAL 82 -2.161 7.595 -3.163 707 HG23 VAL 82 2HG2 VAL 82 -0.692 8.558 -3.326 708 H ASN 83 H ASN 83 2.472 6.257 -3.028 709 HA ASN 83 HA ASN 83 3.038 3.705 -2.152 710 HB2 ASN 83 2HB ASN 83 3.853 4.755 -4.270 711 HB3 ASN 83 1HB ASN 83 4.966 5.740 -3.346 712 HD21 ASN 83 1HD2 ASN 83 5.602 4.006 -5.528 713 HD22 ASN 83 2HD2 ASN 83 6.647 2.783 -4.926 714 H GLN 84 H GLN 84 4.640 6.690 -1.325 715 HA GLN 84 HA GLN 84 6.513 5.632 0.534 716 HB2 GLN 84 2HB GLN 84 6.425 7.899 -0.800 717 HB3 GLN 84 1HB GLN 84 5.520 8.459 0.591 718 HG2 GLN 84 2HG GLN 84 8.357 7.427 0.605 719 HG3 GLN 84 1HG GLN 84 7.867 9.107 0.720 720 HE21 GLN 84 1HE2 GLN 84 8.244 6.136 2.360 721 HE22 GLN 84 2HE2 GLN 84 7.946 6.705 3.960 722 H LEU 85 H LEU 85 3.314 7.131 0.833 723 HA LEU 85 HA LEU 85 3.240 7.334 3.635 724 HB2 LEU 85 2HB LEU 85 0.916 7.004 1.738 725 HB3 LEU 85 1HB LEU 85 0.802 7.530 3.405 726 HG LEU 85 HG LEU 85 2.136 9.013 1.150 727 HD11 LEU 85 1HD1 LEU 85 -0.353 9.627 2.711 728 HD12 LEU 85 2HD1 LEU 85 -0.275 9.081 1.036 729 HD13 LEU 85 3HD1 LEU 85 0.382 10.654 1.484 730 HD21 LEU 85 3HD2 LEU 85 2.434 10.828 2.781 731 HD22 LEU 85 1HD2 LEU 85 3.360 9.385 3.197 732 HD23 LEU 85 2HD2 LEU 85 1.865 9.749 4.060 733 H ILE 86 H ILE 86 2.200 4.722 1.497 734 HA ILE 86 HA ILE 86 1.163 3.074 3.540 735 HB ILE 86 HB ILE 86 2.346 2.262 0.862 736 HG12 ILE 86 2HG1 ILE 86 0.455 3.764 0.566 737 HG13 ILE 86 1HG1 ILE 86 -0.005 2.135 0.089 738 HG21 ILE 86 1HG2 ILE 86 1.065 0.170 1.094 739 HG22 ILE 86 2HG2 ILE 86 0.583 0.656 2.718 740 HG23 ILE 86 3HG2 ILE 86 2.282 0.349 2.361 741 HD11 ILE 86 3HD1 ILE 86 -1.171 1.860 2.238 742 HD12 ILE 86 1HD1 ILE 86 -1.800 3.215 1.298 743 HD13 ILE 86 2HD1 ILE 86 -0.737 3.516 2.668 744 H LEU 87 H LEU 87 4.374 3.288 2.057 745 HA LEU 87 HA LEU 87 5.585 1.219 3.513 746 HB2 LEU 87 2HB LEU 87 6.851 3.731 2.421 747 HB3 LEU 87 1HB LEU 87 7.738 2.329 2.975 748 HG LEU 87 HG LEU 87 5.913 2.480 0.578 749 HD11 LEU 87 1HD1 LEU 87 8.883 2.081 0.808 750 HD12 LEU 87 2HD1 LEU 87 8.060 3.529 0.220 751 HD13 LEU 87 3HD1 LEU 87 7.946 2.014 -0.682 752 HD21 LEU 87 3HD2 LEU 87 5.686 0.302 1.627 753 HD22 LEU 87 1HD2 LEU 87 7.443 0.119 1.670 754 HD23 LEU 87 2HD2 LEU 87 6.602 0.171 0.125 755 H THR 88 H THR 88 5.041 4.548 4.282 756 HA THR 88 HA THR 88 6.578 4.684 6.643 757 HB THR 88 HB THR 88 4.073 6.224 5.920 758 HG1 THR 88 1HG THR 88 5.788 6.443 4.382 759 HG21 THR 88 3HG2 THR 88 4.602 6.424 8.297 760 HG22 THR 88 1HG2 THR 88 4.962 7.939 7.474 761 HG23 THR 88 2HG2 THR 88 6.270 6.841 7.916 762 H THR 89 H THR 89 3.188 3.895 6.025 763 HA THR 89 HA THR 89 2.345 3.743 8.698 764 HB THR 89 HB THR 89 1.113 2.427 6.251 765 HG1 THR 89 1HG THR 89 1.369 4.634 5.838 766 HG21 THR 89 3HG2 THR 89 -1.041 2.796 7.488 767 HG22 THR 89 1HG2 THR 89 -0.130 3.394 8.856 768 HG23 THR 89 2HG2 THR 89 0.019 1.707 8.378 769 H ILE 90 H ILE 90 3.690 1.307 6.514 770 HA ILE 90 HA ILE 90 3.147 -0.809 8.384 771 HB ILE 90 HB ILE 90 4.395 -2.301 6.837 772 HG12 ILE 90 2HG1 ILE 90 4.609 0.186 5.123 773 HG13 ILE 90 1HG1 ILE 90 5.950 -0.666 5.878 774 HG21 ILE 90 1HG2 ILE 90 2.726 -2.218 5.034 775 HG22 ILE 90 2HG2 ILE 90 2.175 -0.655 5.650 776 HG23 ILE 90 3HG2 ILE 90 2.035 -2.107 6.650 777 HD11 ILE 90 3HD1 ILE 90 5.527 -2.607 4.481 778 HD12 ILE 90 1HD1 ILE 90 5.765 -1.167 3.491 779 HD13 ILE 90 2HD1 ILE 90 4.138 -1.800 3.755 780 H LYS 91 H LYS 91 5.718 1.365 7.974 781 HA LYS 91 HA LYS 91 7.453 -0.406 9.552 782 HB2 LYS 91 2HB LYS 91 8.213 2.099 8.049 783 HB3 LYS 91 1HB LYS 91 9.309 1.148 9.032 784 HG2 LYS 91 2HG LYS 91 8.900 -0.782 7.532 785 HG3 LYS 91 1HG LYS 91 7.914 0.274 6.519 786 HD2 LYS 91 2HD LYS 91 10.112 0.139 5.551 787 HD3 LYS 91 1HD LYS 91 9.900 1.753 6.227 788 HE2 LYS 91 2HE LYS 91 11.225 1.138 8.177 789 HE3 LYS 91 1HE LYS 91 11.321 -0.523 7.588 790 HZ1 LYS 91 3HZ LYS 91 13.334 0.780 7.142 791 HZ2 LYS 91 1HZ LYS 91 12.443 1.820 6.174 792 HZ3 LYS 91 2HZ LYS 91 12.629 0.222 5.724 793 H LEU 92 H LEU 92 6.562 3.040 9.437 794 HA LEU 92 HA LEU 92 6.545 4.681 10.952 795 HB2 LEU 92 2HB LEU 92 5.999 2.419 12.884 796 HB3 LEU 92 1HB LEU 92 5.820 4.117 13.275 797 HG LEU 92 HG LEU 92 4.215 2.613 11.203 798 HD11 LEU 92 1HD1 LEU 92 2.341 2.980 12.742 799 HD12 LEU 92 2HD1 LEU 92 3.469 3.629 13.936 800 HD13 LEU 92 3HD1 LEU 92 3.587 1.949 13.434 801 HD21 LEU 92 3HD2 LEU 92 4.026 5.473 12.153 802 HD22 LEU 92 1HD2 LEU 92 2.859 4.665 11.104 803 HD23 LEU 92 2HD2 LEU 92 4.505 4.926 10.543 804 H GLU 93 H GLU 93 8.987 3.187 10.389 805 HA GLU 93 HA GLU 93 10.703 3.195 12.618 806 HB2 GLU 93 2HB GLU 93 11.099 1.919 10.523 807 HB3 GLU 93 1HB GLU 93 11.369 3.420 9.667 808 HG2 GLU 93 2HG GLU 93 13.110 2.597 11.972 809 HG3 GLU 93 1HG GLU 93 13.391 1.984 10.349 810 H HIS 94 H HIS 94 10.461 5.585 9.938 811 HA HIS 94 HA HIS 94 11.061 7.596 11.948 812 HB2 HIS 94 2HB HIS 94 12.586 8.836 10.492 813 HB3 HIS 94 1HB HIS 94 13.189 7.212 10.749 814 HD1 HIS 94 1HD HIS 94 13.620 5.806 8.673 815 HD2 HIS 94 2HD HIS 94 11.637 9.360 7.820 816 HE1 HIS 94 1HE HIS 94 13.711 6.066 6.177 817 HE2 HIS 94 2HE HIS 94 12.360 8.106 5.679 818 H HIS 95 H HIS 95 10.080 9.533 11.663 819 HA HIS 95 HA HIS 95 7.822 9.448 9.867 820 HB2 HIS 95 2HB HIS 95 8.580 11.343 12.086 821 HB3 HIS 95 1HB HIS 95 7.236 11.664 11.002 822 HD1 HIS 95 1HD HIS 95 5.079 10.272 11.350 823 HD2 HIS 95 2HD HIS 95 8.137 9.296 13.985 824 HE1 HIS 95 1HE HIS 95 4.031 8.846 13.105 825 HE2 HIS 95 2HE HIS 95 5.845 8.397 14.757 826 H HIS 96 H HIS 96 7.577 10.585 8.116 827 HA HIS 96 HA HIS 96 9.931 11.745 6.952 828 HB2 HIS 96 2HB HIS 96 8.506 11.931 4.868 829 HB3 HIS 96 1HB HIS 96 8.716 10.306 5.490 830 HD1 HIS 96 1HD HIS 96 6.611 8.983 5.771 831 HD2 HIS 96 2HD HIS 96 5.837 13.058 5.527 832 HE1 HIS 96 1HE HIS 96 4.117 9.204 5.754 833 HE2 HIS 96 2HE HIS 96 3.673 11.662 5.485 834 H HIS 97 H HIS 97 9.614 13.477 8.791 835 HA HIS 97 HA HIS 97 9.003 15.857 7.308 836 HB2 HIS 97 2HB HIS 97 6.790 14.978 8.499 837 HB3 HIS 97 1HB HIS 97 7.510 15.802 9.888 838 HD1 HIS 97 1HD HIS 97 7.695 18.427 9.741 839 HD2 HIS 97 2HD HIS 97 5.873 16.614 6.482 840 HE1 HIS 97 1HE HIS 97 6.622 20.272 8.459 841 HE2 HIS 97 2HE HIS 97 5.262 19.098 6.716 842 H HIS 98 H HIS 98 9.307 14.847 10.722 843 HA HIS 98 HA HIS 98 11.064 17.046 11.197 844 HB2 HIS 98 2HB HIS 98 10.069 14.865 13.019 845 HB3 HIS 98 1HB HIS 98 11.353 15.958 13.516 846 HD1 HIS 98 1HD HIS 98 7.757 15.649 13.600 847 HD2 HIS 98 2HD HIS 98 10.460 18.791 13.285 848 HE1 HIS 98 1HE HIS 98 6.489 17.707 14.236 849 HE2 HIS 98 2HE HIS 98 8.224 19.522 14.286 850 H HIS 99 H HIS 99 12.587 16.720 9.787 851 HA HIS 99 HA HIS 99 14.923 15.483 10.748 852 HB2 HIS 99 2HB HIS 99 13.846 13.512 9.634 853 HB3 HIS 99 1HB HIS 99 13.669 14.455 8.164 854 HD1 HIS 99 1HD HIS 99 15.541 14.325 6.546 855 HD2 HIS 99 2HD HIS 99 16.656 12.990 10.303 856 HE1 HIS 99 1HE HIS 99 17.823 13.333 6.249 857 HE2 HIS 99 2HE HIS 99 18.573 12.837 8.583 Start of MODEL 12 1 H1 MET 1 1HT MET 1 0.933 16.979 4.071 2 H2 MET 1 2HT MET 1 2.358 16.149 4.430 3 H3 MET 1 3HT MET 1 1.226 16.500 5.647 4 HA MET 1 HA MET 1 0.675 14.784 3.319 5 HB2 MET 1 2HB MET 1 1.131 14.029 6.219 6 HB3 MET 1 1HB MET 1 0.568 12.936 4.972 7 HG2 MET 1 2HG MET 1 2.666 13.156 3.790 8 HG3 MET 1 1HG MET 1 3.234 14.324 4.979 9 HE1 MET 1 2HE MET 1 5.435 12.922 5.368 10 HE2 MET 1 3HE MET 1 4.885 11.781 4.141 11 HE3 MET 1 1HE MET 1 5.440 11.192 5.708 12 H SER 2 H SER 2 -1.457 14.228 3.111 13 HA SER 2 HA SER 2 -3.278 14.878 5.280 14 HB2 SER 2 2HB SER 2 -3.229 16.726 3.470 15 HB3 SER 2 1HB SER 2 -3.886 15.518 2.370 16 HG SER 2 HG SER 2 -5.755 15.419 3.595 17 H ILE 3 H ILE 3 -3.158 12.655 5.661 18 HA ILE 3 HA ILE 3 -4.549 11.011 3.670 19 HB ILE 3 HB ILE 3 -2.150 10.610 3.461 20 HG12 ILE 3 2HG1 ILE 3 -2.104 8.127 3.833 21 HG13 ILE 3 1HG1 ILE 3 -3.630 8.278 4.689 22 HG21 ILE 3 1HG2 ILE 3 -2.204 9.794 6.355 23 HG22 ILE 3 2HG2 ILE 3 -1.376 11.186 5.658 24 HG23 ILE 3 3HG2 ILE 3 -0.845 9.552 5.257 25 HD11 ILE 3 3HD1 ILE 3 -4.689 9.103 2.647 26 HD12 ILE 3 1HD1 ILE 3 -3.961 7.515 2.416 27 HD13 ILE 3 2HD1 ILE 3 -3.151 8.953 1.795 28 H LEU 4 H LEU 4 -4.145 11.900 6.980 29 HA LEU 4 HA LEU 4 -5.324 9.528 8.092 30 HB2 LEU 4 2HB LEU 4 -4.752 12.221 9.317 31 HB3 LEU 4 1HB LEU 4 -5.349 10.842 10.211 32 HG LEU 4 HG LEU 4 -2.673 11.000 8.810 33 HD11 LEU 4 1HD1 LEU 4 -3.374 11.073 11.734 34 HD12 LEU 4 2HD1 LEU 4 -2.797 12.433 10.775 35 HD13 LEU 4 3HD1 LEU 4 -1.746 11.045 11.063 36 HD21 LEU 4 3HD2 LEU 4 -2.196 8.901 9.999 37 HD22 LEU 4 1HD2 LEU 4 -3.522 8.719 8.851 38 HD23 LEU 4 2HD2 LEU 4 -3.861 8.863 10.575 39 H GLU 5 H GLU 5 -6.715 11.425 6.148 40 HA GLU 5 HA GLU 5 -9.121 12.219 7.561 41 HB2 GLU 5 2HB GLU 5 -8.520 12.237 4.600 42 HB3 GLU 5 1HB GLU 5 -9.828 13.081 5.411 43 HG2 GLU 5 2HG GLU 5 -8.201 14.479 6.577 44 HG3 GLU 5 1HG GLU 5 -6.894 13.623 5.756 45 H ASP 6 H ASP 6 -7.905 9.392 6.324 46 HA ASP 6 HA ASP 6 -10.549 8.413 5.571 47 HB2 ASP 6 2HB ASP 6 -9.140 8.258 3.684 48 HB3 ASP 6 1HB ASP 6 -7.837 7.558 4.648 49 HA PRO 7 HA PRO 7 -10.281 5.676 9.121 50 HB2 PRO 7 2HB PRO 7 -12.536 4.232 7.990 51 HB3 PRO 7 1HB PRO 7 -12.465 5.210 9.454 52 HG2 PRO 7 2HG PRO 7 -13.818 5.954 7.211 53 HG3 PRO 7 1HG PRO 7 -13.142 7.095 8.382 54 HD2 PRO 7 2HD PRO 7 -12.087 6.320 5.686 55 HD3 PRO 7 1HD PRO 7 -12.067 7.873 6.555 56 H GLU 8 H GLU 8 -10.303 4.535 5.771 57 HA GLU 8 HA GLU 8 -9.961 1.778 6.448 58 HB2 GLU 8 2HB GLU 8 -9.189 3.175 3.864 59 HB3 GLU 8 1HB GLU 8 -9.462 1.454 4.081 60 HG2 GLU 8 2HG GLU 8 -11.566 3.596 4.369 61 HG3 GLU 8 1HG GLU 8 -11.319 2.606 2.938 62 H PHE 9 H PHE 9 -7.894 4.443 5.626 63 HA PHE 9 HA PHE 9 -5.381 3.255 5.717 64 HB2 PHE 9 2HB PHE 9 -5.864 5.558 4.932 65 HB3 PHE 9 1HB PHE 9 -6.142 6.045 6.596 66 HD1 PHE 9 2HD PHE 9 -3.593 4.836 4.220 67 HD2 PHE 9 1HD PHE 9 -4.338 6.610 8.017 68 HE1 PHE 9 2HE PHE 9 -1.209 5.366 4.440 69 HE2 PHE 9 1HE PHE 9 -1.946 7.140 8.242 70 HZ PHE 9 HZ PHE 9 -0.379 6.517 6.452 71 H VAL 10 H VAL 10 -7.359 4.448 8.413 72 HA VAL 10 HA VAL 10 -5.238 3.985 10.248 73 HB VAL 10 HB VAL 10 -7.101 5.606 10.802 74 HG11 VAL 10 1HG1 VAL 10 -9.139 4.822 11.854 75 HG12 VAL 10 2HG1 VAL 10 -8.694 3.158 11.469 76 HG13 VAL 10 3HG1 VAL 10 -9.027 4.304 10.170 77 HG21 VAL 10 3HG2 VAL 10 -5.547 4.934 12.519 78 HG22 VAL 10 1HG2 VAL 10 -6.518 3.507 12.877 79 HG23 VAL 10 2HG2 VAL 10 -7.160 5.116 13.209 80 H LYS 11 H LYS 11 -7.841 2.017 9.064 81 HA LYS 11 HA LYS 11 -7.549 -0.193 10.787 82 HB2 LYS 11 2HB LYS 11 -8.280 -0.143 7.855 83 HB3 LYS 11 1HB LYS 11 -8.476 -1.523 8.921 84 HG2 LYS 11 2HG LYS 11 -10.117 -0.371 10.211 85 HG3 LYS 11 1HG LYS 11 -9.843 1.124 9.306 86 HD2 LYS 11 2HD LYS 11 -10.594 0.008 7.262 87 HD3 LYS 11 1HD LYS 11 -10.845 -1.476 8.168 88 HE2 LYS 11 2HE LYS 11 -12.579 -0.456 9.474 89 HE3 LYS 11 1HE LYS 11 -12.257 1.119 8.742 90 HZ1 LYS 11 3HZ LYS 11 -12.973 0.369 6.682 91 HZ2 LYS 11 1HZ LYS 11 -14.187 -0.075 7.747 92 HZ3 LYS 11 2HZ LYS 11 -13.124 -1.247 7.162 93 H LEU 12 H LEU 12 -5.806 0.786 7.896 94 HA LEU 12 HA LEU 12 -4.134 -1.471 7.612 95 HB2 LEU 12 2HB LEU 12 -3.588 1.419 6.916 96 HB3 LEU 12 1HB LEU 12 -2.604 0.064 6.405 97 HG LEU 12 HG LEU 12 -5.477 0.542 5.618 98 HD11 LEU 12 1HD1 LEU 12 -3.979 2.184 4.639 99 HD12 LEU 12 2HD1 LEU 12 -4.484 1.004 3.421 100 HD13 LEU 12 3HD1 LEU 12 -2.883 0.897 4.145 101 HD21 LEU 12 3HD2 LEU 12 -5.049 -1.248 3.999 102 HD22 LEU 12 1HD2 LEU 12 -4.897 -1.830 5.660 103 HD23 LEU 12 2HD2 LEU 12 -3.456 -1.488 4.705 104 H ARG 13 H ARG 13 -3.763 1.504 9.436 105 HA ARG 13 HA ARG 13 -1.172 0.993 10.458 106 HB2 ARG 13 2HB ARG 13 -3.417 2.696 11.556 107 HB3 ARG 13 1HB ARG 13 -1.804 2.656 12.254 108 HG2 ARG 13 2HG ARG 13 -2.349 3.420 9.393 109 HG3 ARG 13 1HG ARG 13 -2.270 4.584 10.718 110 HD2 ARG 13 2HD ARG 13 -0.032 2.683 9.989 111 HD3 ARG 13 1HD ARG 13 -0.147 4.344 9.421 112 HE ARG 13 HE ARG 13 -0.364 4.496 12.135 113 HH11 ARG 13 1HH1 ARG 13 2.109 3.008 10.074 114 HH12 ARG 13 2HH1 ARG 13 3.418 3.656 10.950 115 HH21 ARG 13 1HH2 ARG 13 1.456 5.272 13.393 116 HH22 ARG 13 2HH2 ARG 13 3.041 4.913 12.881 117 H GLN 14 H GLN 14 -4.325 -0.033 11.464 118 HA GLN 14 HA GLN 14 -3.450 -1.141 13.969 119 HB2 GLN 14 2HB GLN 14 -6.017 -1.477 12.415 120 HB3 GLN 14 1HB GLN 14 -5.737 -2.130 14.023 121 HG2 GLN 14 2HG GLN 14 -5.519 0.071 14.943 122 HG3 GLN 14 1HG GLN 14 -5.600 0.791 13.336 123 HE21 GLN 14 1HE2 GLN 14 -7.538 0.934 12.324 124 HE22 GLN 14 2HE2 GLN 14 -9.057 0.667 13.111 125 H PHE 15 H PHE 15 -3.721 -2.213 10.697 126 HA PHE 15 HA PHE 15 -3.644 -5.009 11.181 127 HB2 PHE 15 2HB PHE 15 -4.319 -3.882 9.003 128 HB3 PHE 15 1HB PHE 15 -2.618 -3.541 8.737 129 HD1 PHE 15 2HD PHE 15 -5.164 -6.156 8.905 130 HD2 PHE 15 1HD PHE 15 -1.095 -5.277 8.047 131 HE1 PHE 15 2HE PHE 15 -4.920 -8.353 7.851 132 HE2 PHE 15 1HE PHE 15 -0.844 -7.481 6.985 133 HZ PHE 15 HZ PHE 15 -2.760 -9.022 6.893 134 H LYS 16 H LYS 16 -1.253 -2.553 10.491 135 HA LYS 16 HA LYS 16 0.888 -2.240 11.118 136 HB2 LYS 16 2HB LYS 16 0.666 -4.844 12.642 137 HB3 LYS 16 1HB LYS 16 1.985 -3.691 12.789 138 HG2 LYS 16 2HG LYS 16 0.471 -2.029 13.712 139 HG3 LYS 16 1HG LYS 16 -0.895 -3.113 13.482 140 HD2 LYS 16 2HD LYS 16 1.459 -3.563 15.324 141 HD3 LYS 16 1HD LYS 16 -0.173 -3.114 15.812 142 HE2 LYS 16 2HE LYS 16 0.660 -5.705 14.482 143 HE3 LYS 16 1HE LYS 16 0.202 -5.487 16.163 144 HZ1 LYS 16 3HZ LYS 16 -1.589 -6.416 14.816 145 HZ2 LYS 16 1HZ LYS 16 -1.623 -5.042 13.853 146 HZ3 LYS 16 2HZ LYS 16 -2.027 -4.942 15.479 147 H GLY 17 H GLY 17 3.103 -3.778 11.225 148 HA2 GLY 17 2HA GLY 17 3.408 -4.365 8.435 149 HA3 GLY 17 1HA GLY 17 4.665 -4.368 9.657 150 H LYS 18 H LYS 18 1.725 -6.210 9.059 151 HA LYS 18 HA LYS 18 3.029 -8.697 9.740 152 HB2 LYS 18 2HB LYS 18 0.284 -8.116 8.647 153 HB3 LYS 18 1HB LYS 18 0.868 -9.743 8.965 154 HG2 LYS 18 2HG LYS 18 1.104 -9.262 11.284 155 HG3 LYS 18 1HG LYS 18 0.706 -7.567 11.009 156 HD2 LYS 18 2HD LYS 18 -1.240 -8.780 11.904 157 HD3 LYS 18 1HD LYS 18 -1.558 -8.268 10.246 158 HE2 LYS 18 2HE LYS 18 -1.004 -10.522 9.449 159 HE3 LYS 18 1HE LYS 18 -0.674 -11.037 11.100 160 HZ1 LYS 18 3HZ LYS 18 -3.306 -10.175 10.000 161 HZ2 LYS 18 1HZ LYS 18 -3.023 -10.525 11.616 162 HZ3 LYS 18 2HZ LYS 18 -2.873 -11.725 10.442 163 H VAL 19 H VAL 19 2.726 -6.757 7.117 164 HA VAL 19 HA VAL 19 2.861 -8.758 5.009 165 HB VAL 19 HB VAL 19 2.768 -6.833 3.505 166 HG11 VAL 19 1HG1 VAL 19 0.602 -5.912 4.156 167 HG12 VAL 19 2HG1 VAL 19 0.819 -6.552 5.783 168 HG13 VAL 19 3HG1 VAL 19 0.662 -7.655 4.415 169 HG21 VAL 19 3HG2 VAL 19 2.948 -5.159 6.016 170 HG22 VAL 19 1HG2 VAL 19 2.578 -4.546 4.399 171 HG23 VAL 19 2HG2 VAL 19 4.147 -5.278 4.722 172 H ASN 20 H ASN 20 4.667 -8.503 3.394 173 HA ASN 20 HA ASN 20 7.167 -8.041 4.837 174 HB2 ASN 20 2HB ASN 20 6.845 -10.006 3.133 175 HB3 ASN 20 1HB ASN 20 6.942 -8.679 1.945 176 HD21 ASN 20 1HD2 ASN 20 8.782 -10.442 4.303 177 HD22 ASN 20 2HD2 ASN 20 10.304 -9.895 3.707 178 H PHE 21 H PHE 21 7.946 -6.058 4.894 179 HA PHE 21 HA PHE 21 7.004 -3.839 3.562 180 HB2 PHE 21 2HB PHE 21 8.438 -3.637 5.521 181 HB3 PHE 21 1HB PHE 21 9.799 -4.305 4.630 182 HD1 PHE 21 1HD PHE 21 10.997 -2.966 2.970 183 HD2 PHE 21 2HD PHE 21 7.721 -1.346 5.133 184 HE1 PHE 21 1HE PHE 21 11.619 -0.729 2.213 185 HE2 PHE 21 2HE PHE 21 8.337 0.901 4.375 186 HZ PHE 21 HZ PHE 21 10.293 1.214 2.904 187 H ASN 22 H ASN 22 9.417 -6.119 2.521 188 HA ASN 22 HA ASN 22 10.558 -4.381 0.535 189 HB2 ASN 22 2HB ASN 22 10.867 -7.368 0.908 190 HB3 ASN 22 1HB ASN 22 11.840 -6.362 -0.158 191 HD21 ASN 22 1HD2 ASN 22 12.439 -8.024 2.227 192 HD22 ASN 22 2HD2 ASN 22 13.356 -7.000 3.258 193 H LEU 23 H LEU 23 8.205 -6.921 0.703 194 HA LEU 23 HA LEU 23 7.979 -7.018 -2.126 195 HB2 LEU 23 2HB LEU 23 7.560 -9.018 -0.769 196 HB3 LEU 23 1HB LEU 23 6.184 -8.234 -0.028 197 HG LEU 23 HG LEU 23 4.947 -8.284 -2.109 198 HD11 LEU 23 1HD1 LEU 23 5.886 -9.296 -4.121 199 HD12 LEU 23 2HD1 LEU 23 7.447 -9.472 -3.319 200 HD13 LEU 23 3HD1 LEU 23 6.797 -7.863 -3.656 201 HD21 LEU 23 3HD2 LEU 23 4.794 -10.665 -2.459 202 HD22 LEU 23 1HD2 LEU 23 4.955 -10.296 -0.742 203 HD23 LEU 23 2HD2 LEU 23 6.344 -10.895 -1.650 204 H VAL 24 H VAL 24 6.147 -5.523 0.539 205 HA VAL 24 HA VAL 24 4.090 -4.386 -0.968 206 HB VAL 24 HB VAL 24 5.538 -3.119 1.388 207 HG11 VAL 24 1HG1 VAL 24 4.181 -1.491 0.167 208 HG12 VAL 24 2HG1 VAL 24 3.469 -1.846 1.741 209 HG13 VAL 24 3HG1 VAL 24 2.782 -2.558 0.281 210 HG21 VAL 24 3HG2 VAL 24 3.740 -4.034 2.731 211 HG22 VAL 24 1HG2 VAL 24 4.661 -5.303 1.928 212 HG23 VAL 24 2HG2 VAL 24 3.078 -4.833 1.304 213 H MET 25 H MET 25 7.313 -3.166 -0.246 214 HA MET 25 HA MET 25 7.165 -0.768 -1.656 215 HB2 MET 25 2HB MET 25 8.948 -1.257 -0.065 216 HB3 MET 25 1HB MET 25 9.561 -2.535 -1.084 217 HG2 MET 25 2HG MET 25 10.209 -0.895 -2.766 218 HG3 MET 25 1HG MET 25 9.532 0.398 -1.778 219 HE1 MET 25 3HE MET 25 12.248 -2.407 -1.986 220 HE2 MET 25 1HE MET 25 11.544 -2.745 -0.406 221 HE3 MET 25 2HE MET 25 13.199 -2.140 -0.522 222 H GLN 26 H GLN 26 8.046 -4.000 -2.741 223 HA GLN 26 HA GLN 26 8.555 -3.241 -5.421 224 HB2 GLN 26 2HB GLN 26 9.479 -5.333 -4.666 225 HB3 GLN 26 1HB GLN 26 7.898 -5.928 -4.191 226 HG2 GLN 26 2HG GLN 26 7.214 -6.049 -6.526 227 HG3 GLN 26 1HG GLN 26 8.763 -5.383 -7.026 228 HE21 GLN 26 1HE2 GLN 26 9.092 -7.215 -8.311 229 HE22 GLN 26 2HE2 GLN 26 9.569 -8.724 -7.630 230 H ILE 27 H ILE 27 5.620 -4.405 -3.791 231 HA ILE 27 HA ILE 27 3.884 -4.649 -5.992 232 HB ILE 27 HB ILE 27 3.202 -3.590 -3.223 233 HG12 ILE 27 2HG1 ILE 27 4.165 -5.832 -3.063 234 HG13 ILE 27 1HG1 ILE 27 2.455 -5.867 -2.661 235 HG21 ILE 27 1HG2 ILE 27 0.889 -4.268 -3.641 236 HG22 ILE 27 2HG2 ILE 27 1.323 -4.701 -5.292 237 HG23 ILE 27 3HG2 ILE 27 1.438 -3.022 -4.765 238 HD11 ILE 27 3HD1 ILE 27 3.093 -7.788 -3.978 239 HD12 ILE 27 1HD1 ILE 27 3.683 -6.736 -5.264 240 HD13 ILE 27 2HD1 ILE 27 1.965 -6.770 -4.871 241 H LEU 28 H LEU 28 4.486 -1.906 -3.894 242 HA LEU 28 HA LEU 28 2.879 -0.008 -5.182 243 HB2 LEU 28 2HB LEU 28 5.378 0.396 -3.551 244 HB3 LEU 28 1HB LEU 28 4.188 1.628 -3.921 245 HG LEU 28 HG LEU 28 3.665 -0.837 -2.257 246 HD11 LEU 28 1HD1 LEU 28 3.580 0.711 -0.378 247 HD12 LEU 28 2HD1 LEU 28 4.084 2.023 -1.445 248 HD13 LEU 28 3HD1 LEU 28 5.169 0.667 -1.141 249 HD21 LEU 28 3HD2 LEU 28 1.963 1.586 -2.818 250 HD22 LEU 28 1HD2 LEU 28 1.571 0.305 -1.668 251 HD23 LEU 28 2HD2 LEU 28 1.660 -0.057 -3.390 252 H ASP 29 H ASP 29 6.214 -0.938 -5.607 253 HA ASP 29 HA ASP 29 7.007 1.120 -7.420 254 HB2 ASP 29 2HB ASP 29 8.485 -0.484 -6.045 255 HB3 ASP 29 1HB ASP 29 8.043 -1.674 -7.217 256 H GLU 30 H GLU 30 5.914 -2.172 -7.773 257 HA GLU 30 HA GLU 30 6.188 -2.446 -10.550 258 HB2 GLU 30 2HB GLU 30 5.762 -4.197 -8.604 259 HB3 GLU 30 1HB GLU 30 4.078 -3.940 -9.025 260 HG2 GLU 30 2HG GLU 30 4.426 -4.749 -11.236 261 HG3 GLU 30 1HG GLU 30 6.169 -4.811 -10.989 262 H ILE 31 H ILE 31 3.377 -1.498 -8.559 263 HA ILE 31 HA ILE 31 1.728 -1.111 -10.847 264 HB ILE 31 HB ILE 31 0.127 0.082 -9.397 265 HG12 ILE 31 2HG1 ILE 31 2.168 -0.286 -7.196 266 HG13 ILE 31 1HG1 ILE 31 1.765 1.248 -7.960 267 HG21 ILE 31 1HG2 ILE 31 1.205 -2.430 -8.157 268 HG22 ILE 31 2HG2 ILE 31 0.019 -2.329 -9.461 269 HG23 ILE 31 3HG2 ILE 31 -0.380 -1.736 -7.846 270 HD11 ILE 31 3HD1 ILE 31 -0.509 1.068 -7.095 271 HD12 ILE 31 1HD1 ILE 31 0.695 1.020 -5.805 272 HD13 ILE 31 2HD1 ILE 31 -0.089 -0.470 -6.338 273 H GLU 32 H GLU 32 3.800 1.002 -8.954 274 HA GLU 32 HA GLU 32 3.039 3.460 -10.004 275 HB2 GLU 32 2HB GLU 32 4.452 3.263 -8.038 276 HB3 GLU 32 1HB GLU 32 5.734 2.544 -8.995 277 HG2 GLU 32 2HG GLU 32 6.040 4.581 -10.192 278 HG3 GLU 32 1HG GLU 32 4.710 5.362 -9.317 279 H LEU 33 H LEU 33 5.688 1.334 -11.051 280 HA LEU 33 HA LEU 33 6.510 2.948 -13.171 281 HB2 LEU 33 2HB LEU 33 7.733 1.009 -14.036 282 HB3 LEU 33 1HB LEU 33 7.962 1.210 -12.323 283 HG LEU 33 HG LEU 33 6.111 -0.643 -12.135 284 HD11 LEU 33 1HD1 LEU 33 7.167 -1.206 -14.897 285 HD12 LEU 33 2HD1 LEU 33 5.515 -0.752 -14.479 286 HD13 LEU 33 3HD1 LEU 33 6.171 -2.292 -13.925 287 HD21 LEU 33 3HD2 LEU 33 8.367 -0.911 -11.341 288 HD22 LEU 33 1HD2 LEU 33 8.935 -1.226 -12.982 289 HD23 LEU 33 2HD2 LEU 33 7.853 -2.369 -12.191 290 H ASP 34 H ASP 34 4.021 0.500 -13.075 291 HA ASP 34 HA ASP 34 3.547 0.554 -15.890 292 HB2 ASP 34 2HB ASP 34 2.894 -1.386 -14.498 293 HB3 ASP 34 1HB ASP 34 1.702 -0.382 -13.678 294 H LEU 35 H LEU 35 2.029 2.028 -13.097 295 HA LEU 35 HA LEU 35 -0.072 3.299 -14.456 296 HB2 LEU 35 2HB LEU 35 -0.123 2.807 -12.079 297 HB3 LEU 35 1HB LEU 35 1.181 3.936 -11.801 298 HG LEU 35 HG LEU 35 -0.275 5.789 -12.482 299 HD11 LEU 35 1HD1 LEU 35 -2.371 3.643 -12.744 300 HD12 LEU 35 2HD1 LEU 35 -1.747 4.684 -14.025 301 HD13 LEU 35 3HD1 LEU 35 -2.697 5.373 -12.712 302 HD21 LEU 35 3HD2 LEU 35 -0.110 5.184 -10.153 303 HD22 LEU 35 1HD2 LEU 35 -1.394 3.995 -10.353 304 HD23 LEU 35 2HD2 LEU 35 -1.749 5.713 -10.532 305 H ARG 36 H ARG 36 3.237 4.247 -14.007 306 HA ARG 36 HA ARG 36 2.755 6.968 -14.538 307 HB2 ARG 36 2HB ARG 36 5.290 5.375 -14.803 308 HB3 ARG 36 1HB ARG 36 5.207 7.106 -15.095 309 HG2 ARG 36 2HG ARG 36 4.366 7.417 -12.790 310 HG3 ARG 36 1HG ARG 36 4.590 5.689 -12.517 311 HD2 ARG 36 2HD ARG 36 6.489 6.849 -11.648 312 HD3 ARG 36 1HD ARG 36 6.953 5.953 -13.099 313 HE ARG 36 HE ARG 36 6.271 8.510 -13.914 314 HH11 ARG 36 1HH1 ARG 36 8.807 7.029 -11.928 315 HH12 ARG 36 2HH1 ARG 36 9.918 8.301 -12.189 316 HH21 ARG 36 1HH2 ARG 36 7.857 10.212 -14.293 317 HH22 ARG 36 2HH2 ARG 36 9.375 10.124 -13.547 318 H GLY 37 H GLY 37 2.437 4.378 -16.535 319 HA2 GLY 37 2HA GLY 37 2.466 6.176 -18.877 320 HA3 GLY 37 1HA GLY 37 2.949 4.486 -18.980 321 H SER 38 H SER 38 0.275 5.398 -16.903 322 HA SER 38 HA SER 38 -1.753 4.691 -18.813 323 HB2 SER 38 2HB SER 38 -0.766 2.490 -18.216 324 HB3 SER 38 1HB SER 38 -1.055 2.823 -16.516 325 HG SER 38 HG SER 38 -2.574 1.478 -17.623 326 H ASP 39 H ASP 39 -3.894 4.557 -17.517 327 HA ASP 39 HA ASP 39 -3.736 6.151 -15.030 328 HB2 ASP 39 2HB ASP 39 -4.816 7.495 -16.817 329 HB3 ASP 39 1HB ASP 39 -5.992 6.211 -17.074 330 H ASN 40 H ASN 40 -4.473 3.254 -16.427 331 HA ASN 40 HA ASN 40 -6.685 2.506 -14.744 332 HB2 ASN 40 2HB ASN 40 -5.042 0.959 -16.753 333 HB3 ASN 40 1HB ASN 40 -6.263 0.202 -15.752 334 HD21 ASN 40 1HD2 ASN 40 -7.405 -0.426 -17.537 335 HD22 ASN 40 2HD2 ASN 40 -8.319 0.649 -18.516 336 H ILE 41 H ILE 41 -5.280 3.164 -12.908 337 HA ILE 41 HA ILE 41 -3.120 1.588 -12.085 338 HB ILE 41 HB ILE 41 -3.433 3.714 -11.015 339 HG12 ILE 41 2HG1 ILE 41 -3.881 1.492 -8.996 340 HG13 ILE 41 1HG1 ILE 41 -2.332 1.949 -9.677 341 HG21 ILE 41 1HG2 ILE 41 -5.298 4.198 -9.495 342 HG22 ILE 41 2HG2 ILE 41 -6.065 2.687 -10.005 343 HG23 ILE 41 3HG2 ILE 41 -5.788 3.974 -11.172 344 HD11 ILE 41 3HD1 ILE 41 -2.523 2.802 -7.464 345 HD12 ILE 41 1HD1 ILE 41 -4.063 3.567 -7.841 346 HD13 ILE 41 2HD1 ILE 41 -2.580 4.161 -8.590 347 H LYS 42 H LYS 42 -6.546 1.042 -11.789 348 HA LYS 42 HA LYS 42 -6.264 -1.003 -9.844 349 HB2 LYS 42 2HB LYS 42 -8.484 -1.716 -10.325 350 HB3 LYS 42 1HB LYS 42 -8.457 0.040 -10.252 351 HG2 LYS 42 2HG LYS 42 -8.667 0.213 -12.617 352 HG3 LYS 42 1HG LYS 42 -8.394 -1.515 -12.831 353 HD2 LYS 42 2HD LYS 42 -10.745 -0.269 -11.412 354 HD3 LYS 42 1HD LYS 42 -10.778 -0.938 -13.048 355 HE2 LYS 42 2HE LYS 42 -10.119 -3.154 -12.086 356 HE3 LYS 42 1HE LYS 42 -10.234 -2.454 -10.480 357 HZ1 LYS 42 3HZ LYS 42 -12.579 -1.988 -10.909 358 HZ2 LYS 42 1HZ LYS 42 -12.214 -3.634 -11.009 359 HZ3 LYS 42 2HZ LYS 42 -12.442 -2.758 -12.412 360 H THR 43 H THR 43 -6.086 -0.972 -13.337 361 HA THR 43 HA THR 43 -6.032 -3.779 -13.604 362 HB THR 43 HB THR 43 -4.846 -1.785 -15.539 363 HG1 THR 43 1HG THR 43 -7.469 -2.427 -15.959 364 HG21 THR 43 3HG2 THR 43 -4.613 -4.200 -16.042 365 HG22 THR 43 1HG2 THR 43 -5.690 -3.411 -17.193 366 HG23 THR 43 2HG2 THR 43 -6.358 -4.390 -15.891 367 H SER 44 H SER 44 -3.610 -1.220 -13.130 368 HA SER 44 HA SER 44 -1.314 -2.779 -13.392 369 HB2 SER 44 2HB SER 44 -1.756 -0.488 -11.450 370 HB3 SER 44 1HB SER 44 -0.217 -1.007 -12.146 371 HG SER 44 HG SER 44 -0.839 -0.253 -14.125 372 H ILE 45 H ILE 45 -3.393 -2.026 -10.621 373 HA ILE 45 HA ILE 45 -2.267 -3.546 -8.607 374 HB ILE 45 HB ILE 45 -5.179 -2.974 -9.237 375 HG12 ILE 45 2HG1 ILE 45 -3.813 -1.004 -8.654 376 HG13 ILE 45 1HG1 ILE 45 -5.080 -1.300 -7.476 377 HG21 ILE 45 1HG2 ILE 45 -5.789 -3.615 -6.956 378 HG22 ILE 45 2HG2 ILE 45 -4.152 -4.220 -6.707 379 HG23 ILE 45 3HG2 ILE 45 -5.195 -4.973 -7.915 380 HD11 ILE 45 3HD1 ILE 45 -2.985 -0.631 -6.425 381 HD12 ILE 45 1HD1 ILE 45 -2.177 -2.027 -7.140 382 HD13 ILE 45 2HD1 ILE 45 -3.452 -2.265 -5.950 383 H ILE 46 H ILE 46 -4.634 -4.535 -11.054 384 HA ILE 46 HA ILE 46 -4.954 -7.173 -10.289 385 HB ILE 46 HB ILE 46 -5.122 -6.041 -13.105 386 HG12 ILE 46 2HG1 ILE 46 -7.281 -6.614 -11.052 387 HG13 ILE 46 1HG1 ILE 46 -6.676 -5.022 -11.493 388 HG21 ILE 46 1HG2 ILE 46 -4.821 -8.461 -13.189 389 HG22 ILE 46 2HG2 ILE 46 -6.464 -8.029 -13.664 390 HG23 ILE 46 3HG2 ILE 46 -6.154 -8.683 -12.056 391 HD11 ILE 46 3HD1 ILE 46 -8.159 -6.918 -13.306 392 HD12 ILE 46 1HD1 ILE 46 -7.554 -5.323 -13.761 393 HD13 ILE 46 2HD1 ILE 46 -8.818 -5.473 -12.541 394 H TYR 47 H TYR 47 -2.557 -5.884 -12.622 395 HA TYR 47 HA TYR 47 -1.411 -8.329 -13.412 396 HB2 TYR 47 2HB TYR 47 0.192 -5.804 -12.987 397 HB3 TYR 47 1HB TYR 47 0.575 -7.128 -14.058 398 HD1 TYR 47 1HD TYR 47 -2.068 -7.401 -15.497 399 HD2 TYR 47 2HD TYR 47 0.178 -3.994 -14.325 400 HE1 TYR 47 1HE TYR 47 -3.037 -6.115 -17.359 401 HE2 TYR 47 2HE TYR 47 -0.773 -2.703 -16.142 402 HH TYR 47 HH TYR 47 -1.755 -3.183 -18.379 403 H VAL 48 H VAL 48 -0.654 -6.186 -10.794 404 HA VAL 48 HA VAL 48 1.673 -7.537 -9.951 405 HB VAL 48 HB VAL 48 0.042 -5.372 -8.608 406 HG11 VAL 48 1HG1 VAL 48 1.463 -6.535 -6.999 407 HG12 VAL 48 2HG1 VAL 48 2.061 -4.905 -7.317 408 HG13 VAL 48 3HG1 VAL 48 2.857 -6.296 -8.051 409 HG21 VAL 48 3HG2 VAL 48 2.484 -5.249 -10.364 410 HG22 VAL 48 1HG2 VAL 48 1.779 -3.872 -9.523 411 HG23 VAL 48 2HG2 VAL 48 0.866 -4.698 -10.782 412 H TYR 49 H TYR 49 -1.602 -7.252 -8.626 413 HA TYR 49 HA TYR 49 -1.109 -8.870 -6.392 414 HB2 TYR 49 2HB TYR 49 -3.663 -8.077 -7.774 415 HB3 TYR 49 1HB TYR 49 -3.668 -9.143 -6.379 416 HD1 TYR 49 2HD TYR 49 -1.224 -6.377 -6.587 417 HD2 TYR 49 1HD TYR 49 -5.027 -7.584 -5.105 418 HE1 TYR 49 2HE TYR 49 -1.255 -4.429 -5.099 419 HE2 TYR 49 1HE TYR 49 -5.059 -5.637 -3.608 420 HH TYR 49 HH TYR 49 -3.661 -4.060 -2.631 421 H SER 50 H SER 50 -2.116 -9.663 -9.649 422 HA SER 50 HA SER 50 -2.757 -12.357 -9.020 423 HB2 SER 50 2HB SER 50 -2.865 -12.636 -11.511 424 HB3 SER 50 1HB SER 50 -3.768 -11.242 -10.898 425 HG SER 50 HG SER 50 -2.433 -9.914 -11.716 426 H SER 51 H SER 51 0.200 -10.721 -9.699 427 HA SER 51 HA SER 51 1.608 -13.178 -10.315 428 HB2 SER 51 2HB SER 51 2.162 -11.072 -11.520 429 HB3 SER 51 1HB SER 51 2.628 -10.335 -9.992 430 HG SER 51 HG SER 51 4.002 -12.034 -11.624 431 H HIS 52 H HIS 52 0.912 -11.166 -7.601 432 HA HIS 52 HA HIS 52 2.935 -12.594 -5.986 433 HB2 HIS 52 2HB HIS 52 1.879 -9.770 -5.561 434 HB3 HIS 52 1HB HIS 52 3.066 -10.577 -4.551 435 HD1 HIS 52 1HD HIS 52 5.530 -10.700 -5.505 436 HD2 HIS 52 2HD HIS 52 2.869 -8.699 -7.983 437 HE1 HIS 52 1HE HIS 52 6.943 -9.429 -7.142 438 HE2 HIS 52 2HE HIS 52 5.319 -8.145 -8.568 439 H LEU 53 H LEU 53 0.370 -13.575 -6.506 440 HA LEU 53 HA LEU 53 -1.796 -12.974 -4.938 441 HB2 LEU 53 2HB LEU 53 -0.869 -15.646 -5.927 442 HB3 LEU 53 1HB LEU 53 -2.405 -15.411 -5.129 443 HG LEU 53 HG LEU 53 -1.607 -13.997 -7.662 444 HD11 LEU 53 1HD1 LEU 53 -3.065 -15.627 -8.789 445 HD12 LEU 53 2HD1 LEU 53 -3.278 -16.481 -7.261 446 HD13 LEU 53 3HD1 LEU 53 -1.689 -16.418 -8.023 447 HD21 LEU 53 3HD2 LEU 53 -4.261 -14.367 -6.263 448 HD22 LEU 53 1HD2 LEU 53 -4.038 -13.603 -7.836 449 HD23 LEU 53 2HD2 LEU 53 -3.353 -12.862 -6.394 450 H ASP 54 H ASP 54 0.840 -15.111 -4.017 451 HA ASP 54 HA ASP 54 -0.317 -16.227 -1.727 452 HB2 ASP 54 2HB ASP 54 1.772 -17.044 -2.787 453 HB3 ASP 54 1HB ASP 54 2.634 -15.680 -2.089 454 H GLU 55 H GLU 55 1.695 -13.337 -1.956 455 HA GLU 55 HA GLU 55 1.641 -12.613 0.782 456 HB2 GLU 55 2HB GLU 55 3.235 -11.741 -0.874 457 HB3 GLU 55 1HB GLU 55 1.927 -10.931 -1.713 458 HG2 GLU 55 2HG GLU 55 3.029 -9.265 -0.486 459 HG3 GLU 55 1HG GLU 55 1.559 -9.618 0.408 460 H ILE 56 H ILE 56 -0.310 -11.755 -2.011 461 HA ILE 56 HA ILE 56 -1.902 -9.753 -0.861 462 HB ILE 56 HB ILE 56 -2.685 -11.608 -3.125 463 HG12 ILE 56 2HG1 ILE 56 -0.588 -10.523 -3.691 464 HG13 ILE 56 1HG1 ILE 56 -1.886 -9.802 -4.628 465 HG21 ILE 56 1HG2 ILE 56 -3.748 -8.879 -2.411 466 HG22 ILE 56 2HG2 ILE 56 -4.605 -10.410 -2.250 467 HG23 ILE 56 3HG2 ILE 56 -4.182 -9.801 -3.850 468 HD11 ILE 56 3HD1 ILE 56 -0.592 -8.610 -2.182 469 HD12 ILE 56 1HD1 ILE 56 -1.906 -7.884 -3.110 470 HD13 ILE 56 2HD1 ILE 56 -0.326 -8.122 -3.855 471 H ARG 57 H ARG 57 -2.521 -13.223 -1.197 472 HA ARG 57 HA ARG 57 -5.094 -13.094 0.049 473 HB2 ARG 57 2HB ARG 57 -5.060 -15.537 0.045 474 HB3 ARG 57 1HB ARG 57 -4.524 -14.917 -1.510 475 HG2 ARG 57 2HG ARG 57 -2.213 -15.346 -0.911 476 HG3 ARG 57 1HG ARG 57 -2.709 -15.904 0.682 477 HD2 ARG 57 2HD ARG 57 -3.949 -17.743 -0.359 478 HD3 ARG 57 1HD ARG 57 -3.443 -17.170 -1.951 479 HE ARG 57 HE ARG 57 -1.135 -17.495 -0.525 480 HH11 ARG 57 1HH1 ARG 57 -3.772 -19.663 -1.501 481 HH12 ARG 57 2HH1 ARG 57 -2.776 -21.034 -1.615 482 HH21 ARG 57 1HH2 ARG 57 0.214 -19.360 -0.682 483 HH22 ARG 57 2HH2 ARG 57 -0.479 -20.883 -1.088 484 H LYS 58 H LYS 58 -1.870 -13.315 1.243 485 HA LYS 58 HA LYS 58 -2.466 -14.558 3.742 486 HB2 LYS 58 2HB LYS 58 -0.206 -14.520 2.615 487 HB3 LYS 58 1HB LYS 58 -0.116 -12.813 3.020 488 HG2 LYS 58 2HG LYS 58 1.137 -14.091 4.639 489 HG3 LYS 58 1HG LYS 58 -0.306 -13.383 5.385 490 HD2 LYS 58 2HD LYS 58 -1.473 -15.462 5.271 491 HD3 LYS 58 1HD LYS 58 -0.152 -16.200 4.358 492 HE2 LYS 58 2HE LYS 58 1.309 -15.943 6.287 493 HE3 LYS 58 1HE LYS 58 0.002 -15.168 7.185 494 HZ1 LYS 58 3HZ LYS 58 -0.002 -17.953 6.162 495 HZ2 LYS 58 1HZ LYS 58 -1.272 -17.225 7.005 496 HZ3 LYS 58 2HZ LYS 58 0.202 -17.490 7.769 497 H ASN 59 H ASN 59 -1.911 -11.284 2.641 498 HA ASN 59 HA ASN 59 -2.979 -10.314 5.211 499 HB2 ASN 59 2HB ASN 59 -1.238 -8.727 3.344 500 HB3 ASN 59 1HB ASN 59 -1.547 -8.451 5.046 501 HD21 ASN 59 1HD2 ASN 59 -0.535 -9.830 6.559 502 HD22 ASN 59 2HD2 ASN 59 0.904 -10.703 6.134 503 H LYS 60 H LYS 60 -4.692 -11.082 3.361 504 HA LYS 60 HA LYS 60 -5.405 -9.562 1.208 505 HB2 LYS 60 2HB LYS 60 -7.518 -10.615 1.176 506 HB3 LYS 60 1HB LYS 60 -6.359 -11.782 1.780 507 HG2 LYS 60 2HG LYS 60 -8.394 -10.252 3.396 508 HG3 LYS 60 1HG LYS 60 -8.506 -11.949 2.944 509 HD2 LYS 60 2HD LYS 60 -6.490 -12.384 4.350 510 HD3 LYS 60 1HD LYS 60 -6.494 -10.687 4.832 511 HE2 LYS 60 2HE LYS 60 -8.874 -11.056 5.640 512 HE3 LYS 60 1HE LYS 60 -8.600 -12.774 5.392 513 HZ1 LYS 60 3HZ LYS 60 -7.205 -10.994 7.338 514 HZ2 LYS 60 1HZ LYS 60 -6.701 -12.580 7.024 515 HZ3 LYS 60 2HZ LYS 60 -8.202 -12.260 7.660 516 H GLU 61 H GLU 61 -6.224 -8.810 4.503 517 HA GLU 61 HA GLU 61 -8.223 -6.891 4.008 518 HB2 GLU 61 2HB GLU 61 -6.310 -7.201 6.312 519 HB3 GLU 61 1HB GLU 61 -7.764 -6.205 6.291 520 HG2 GLU 61 2HG GLU 61 -9.168 -8.110 6.113 521 HG3 GLU 61 1HG GLU 61 -7.792 -9.163 5.806 522 H PHE 62 H PHE 62 -4.765 -6.682 4.628 523 HA PHE 62 HA PHE 62 -4.517 -3.883 4.510 524 HB2 PHE 62 2HB PHE 62 -2.812 -5.249 5.575 525 HB3 PHE 62 1HB PHE 62 -2.502 -6.097 4.069 526 HD1 PHE 62 1HD PHE 62 -2.143 -2.869 5.815 527 HD2 PHE 62 2HD PHE 62 -1.003 -5.212 2.452 528 HE1 PHE 62 1HE PHE 62 -0.375 -1.248 5.280 529 HE2 PHE 62 2HE PHE 62 0.771 -3.599 1.914 530 HZ PHE 62 HZ PHE 62 1.084 -1.612 3.325 531 H TYR 63 H TYR 63 -3.902 -6.447 2.155 532 HA TYR 63 HA TYR 63 -3.098 -4.638 0.199 533 HB2 TYR 63 2HB TYR 63 -3.710 -7.568 0.004 534 HB3 TYR 63 1HB TYR 63 -3.208 -6.609 -1.390 535 HD1 TYR 63 1HD TYR 63 -1.035 -5.336 -1.264 536 HD2 TYR 63 2HD TYR 63 -2.068 -8.345 1.536 537 HE1 TYR 63 1HE TYR 63 1.319 -5.477 -0.576 538 HE2 TYR 63 2HE TYR 63 0.309 -8.503 2.245 539 HH TYR 63 HH TYR 63 2.575 -7.951 1.473 540 H ASP 64 H ASP 64 -6.267 -5.761 0.985 541 HA ASP 64 HA ASP 64 -7.309 -4.803 -1.513 542 HB2 ASP 64 2HB ASP 64 -8.578 -6.494 -0.311 543 HB3 ASP 64 1HB ASP 64 -8.767 -5.400 1.059 544 H MET 65 H MET 65 -7.195 -3.549 1.787 545 HA MET 65 HA MET 65 -8.579 -1.207 1.105 546 HB2 MET 65 2HB MET 65 -6.864 -1.844 3.484 547 HB3 MET 65 1HB MET 65 -7.716 -0.306 3.312 548 HG2 MET 65 2HG MET 65 -9.824 -1.602 3.088 549 HG3 MET 65 1HG MET 65 -8.888 -3.050 3.408 550 HE1 MET 65 3HE MET 65 -7.779 -2.612 7.114 551 HE2 MET 65 1HE MET 65 -6.870 -2.245 5.651 552 HE3 MET 65 2HE MET 65 -7.856 -3.706 5.731 553 H ILE 66 H ILE 66 -5.126 -1.939 1.111 554 HA ILE 66 HA ILE 66 -4.478 0.749 0.556 555 HB ILE 66 HB ILE 66 -2.288 0.021 -0.316 556 HG12 ILE 66 2HG1 ILE 66 -3.091 -2.767 0.354 557 HG13 ILE 66 1HG1 ILE 66 -3.181 -2.184 -1.301 558 HG21 ILE 66 1HG2 ILE 66 -1.415 -0.948 1.735 559 HG22 ILE 66 2HG2 ILE 66 -3.058 -1.324 2.250 560 HG23 ILE 66 3HG2 ILE 66 -2.561 0.356 2.055 561 HD11 ILE 66 3HD1 ILE 66 -0.756 -1.682 -1.182 562 HD12 ILE 66 1HD1 ILE 66 -1.117 -3.396 -0.970 563 HD13 ILE 66 2HD1 ILE 66 -0.721 -2.396 0.431 564 H ALA 67 H ALA 67 -5.378 -1.947 -1.511 565 HA ALA 67 HA ALA 67 -4.756 -0.821 -3.990 566 HB1 ALA 67 1HB ALA 67 -5.464 -3.159 -3.711 567 HB2 ALA 67 2HB ALA 67 -6.443 -2.336 -4.928 568 HB3 ALA 67 3HB ALA 67 -7.094 -2.619 -3.312 569 H GLU 68 H GLU 68 -7.617 -0.533 -1.998 570 HA GLU 68 HA GLU 68 -9.165 1.144 -3.629 571 HB2 GLU 68 2HB GLU 68 -10.066 0.013 -1.711 572 HB3 GLU 68 1HB GLU 68 -8.984 0.867 -0.624 573 HG2 GLU 68 2HG GLU 68 -11.175 1.812 -0.413 574 HG3 GLU 68 1HG GLU 68 -10.147 2.981 -1.230 575 H ILE 69 H ILE 69 -7.032 1.942 -0.912 576 HA ILE 69 HA ILE 69 -7.280 4.723 -1.064 577 HB ILE 69 HB ILE 69 -5.127 3.013 0.200 578 HG12 ILE 69 2HG1 ILE 69 -7.478 4.468 1.423 579 HG13 ILE 69 1HG1 ILE 69 -7.477 2.762 0.997 580 HG21 ILE 69 1HG2 ILE 69 -5.649 5.966 0.610 581 HG22 ILE 69 2HG2 ILE 69 -4.247 5.278 -0.199 582 HG23 ILE 69 3HG2 ILE 69 -4.501 4.987 1.525 583 HD11 ILE 69 3HD1 ILE 69 -5.681 4.077 3.022 584 HD12 ILE 69 1HD1 ILE 69 -5.693 2.368 2.584 585 HD13 ILE 69 2HD1 ILE 69 -7.100 3.076 3.361 586 H LEU 70 H LEU 70 -4.856 2.574 -2.493 587 HA LEU 70 HA LEU 70 -3.044 4.441 -3.436 588 HB2 LEU 70 2HB LEU 70 -3.873 1.786 -4.593 589 HB3 LEU 70 1HB LEU 70 -2.530 2.725 -5.211 590 HG LEU 70 HG LEU 70 -2.688 1.714 -2.370 591 HD11 LEU 70 1HD1 LEU 70 -1.085 0.005 -3.064 592 HD12 LEU 70 2HD1 LEU 70 -1.258 0.531 -4.738 593 HD13 LEU 70 3HD1 LEU 70 -2.633 -0.175 -3.890 594 HD21 LEU 70 3HD2 LEU 70 -0.284 2.181 -2.372 595 HD22 LEU 70 1HD2 LEU 70 -1.227 3.639 -2.672 596 HD23 LEU 70 2HD2 LEU 70 -0.411 2.826 -4.003 597 H GLN 71 H GLN 71 -5.911 3.201 -5.098 598 HA GLN 71 HA GLN 71 -5.506 4.751 -7.500 599 HB2 GLN 71 2HB GLN 71 -8.154 3.726 -6.478 600 HB3 GLN 71 1HB GLN 71 -7.677 4.004 -8.145 601 HG2 GLN 71 2HG GLN 71 -6.120 2.136 -8.025 602 HG3 GLN 71 1HG GLN 71 -6.547 1.878 -6.343 603 HE21 GLN 71 1HE2 GLN 71 -7.347 -0.088 -6.520 604 HE22 GLN 71 2HE2 GLN 71 -8.764 -0.534 -7.377 605 H ARG 72 H ARG 72 -7.556 5.026 -4.755 606 HA ARG 72 HA ARG 72 -9.082 7.246 -5.294 607 HB2 ARG 72 2HB ARG 72 -9.448 5.533 -3.648 608 HB3 ARG 72 1HB ARG 72 -8.024 6.031 -2.780 609 HG2 ARG 72 2HG ARG 72 -9.139 8.081 -2.126 610 HG3 ARG 72 1HG ARG 72 -10.567 7.588 -3.066 611 HD2 ARG 72 2HD ARG 72 -10.818 5.594 -1.772 612 HD3 ARG 72 1HD ARG 72 -9.319 5.913 -0.918 613 HE ARG 72 HE ARG 72 -11.408 7.880 -0.645 614 HH11 ARG 72 1HH1 ARG 72 -9.822 4.964 0.684 615 HH12 ARG 72 2HH1 ARG 72 -10.352 5.321 2.278 616 HH21 ARG 72 1HH2 ARG 72 -12.183 8.183 1.616 617 HH22 ARG 72 2HH2 ARG 72 -11.631 7.028 2.763 618 H TYR 73 H TYR 73 -5.987 7.034 -3.521 619 HA TYR 73 HA TYR 73 -5.976 9.900 -3.336 620 HB2 TYR 73 2HB TYR 73 -4.347 7.802 -1.978 621 HB3 TYR 73 1HB TYR 73 -3.781 9.466 -2.032 622 HD1 TYR 73 1HD TYR 73 -6.676 7.373 -0.955 623 HD2 TYR 73 2HD TYR 73 -4.613 11.076 -0.587 624 HE1 TYR 73 1HE TYR 73 -8.115 7.986 0.954 625 HE2 TYR 73 2HE TYR 73 -6.035 11.697 1.310 626 HH TYR 73 HH TYR 73 -8.041 9.485 2.897 627 H TYR 74 H TYR 74 -4.614 7.600 -5.515 628 HA TYR 74 HA TYR 74 -2.424 9.205 -6.217 629 HB2 TYR 74 2HB TYR 74 -2.010 7.247 -7.256 630 HB3 TYR 74 1HB TYR 74 -3.682 6.748 -7.113 631 HD1 TYR 74 2HD TYR 74 -1.270 8.564 -9.246 632 HD2 TYR 74 1HD TYR 74 -5.121 6.818 -8.935 633 HE1 TYR 74 2HE TYR 74 -1.548 8.753 -11.670 634 HE2 TYR 74 1HE TYR 74 -5.437 6.991 -11.285 635 HH TYR 74 HH TYR 74 -4.554 8.154 -13.315 636 H LYS 75 H LYS 75 -5.781 9.133 -7.008 637 HA LYS 75 HA LYS 75 -5.720 11.030 -9.102 638 HB2 LYS 75 2HB LYS 75 -7.968 10.333 -7.187 639 HB3 LYS 75 1HB LYS 75 -8.113 11.292 -8.650 640 HG2 LYS 75 2HG LYS 75 -7.215 8.430 -8.651 641 HG3 LYS 75 1HG LYS 75 -8.892 8.937 -8.844 642 HD2 LYS 75 2HD LYS 75 -8.203 10.272 -10.830 643 HD3 LYS 75 1HD LYS 75 -6.567 9.630 -10.650 644 HE2 LYS 75 2HE LYS 75 -7.405 7.364 -10.951 645 HE3 LYS 75 1HE LYS 75 -9.046 7.974 -11.056 646 HZ1 LYS 75 3HZ LYS 75 -8.460 9.139 -13.102 647 HZ2 LYS 75 1HZ LYS 75 -8.158 7.515 -13.250 648 HZ3 LYS 75 2HZ LYS 75 -6.892 8.557 -13.079 649 H LYS 76 H LYS 76 -5.619 11.293 -5.637 650 HA LYS 76 HA LYS 76 -6.310 14.131 -5.659 651 HB2 LYS 76 2HB LYS 76 -5.654 12.263 -3.394 652 HB3 LYS 76 1HB LYS 76 -5.931 13.976 -3.171 653 HG2 LYS 76 2HG LYS 76 -8.219 13.666 -4.079 654 HG3 LYS 76 1HG LYS 76 -7.905 11.927 -4.151 655 HD2 LYS 76 2HD LYS 76 -7.561 11.838 -1.758 656 HD3 LYS 76 1HD LYS 76 -7.698 13.592 -1.638 657 HE2 LYS 76 2HE LYS 76 -10.021 13.443 -2.411 658 HE3 LYS 76 1HE LYS 76 -9.888 11.684 -2.469 659 HZ1 LYS 76 3HZ LYS 76 -9.572 11.658 -0.085 660 HZ2 LYS 76 1HZ LYS 76 -10.958 12.508 -0.444 661 HZ3 LYS 76 2HZ LYS 76 -9.565 13.328 0.012 662 H ILE 77 H ILE 77 -3.520 12.145 -4.635 663 HA ILE 77 HA ILE 77 -1.949 14.627 -4.653 664 HB ILE 77 HB ILE 77 -0.535 13.702 -2.842 665 HG12 ILE 77 2HG1 ILE 77 -2.645 11.526 -2.694 666 HG13 ILE 77 1HG1 ILE 77 -0.987 11.296 -3.228 667 HG21 ILE 77 1HG2 ILE 77 -2.158 14.045 -1.032 668 HG22 ILE 77 2HG2 ILE 77 -3.471 13.903 -2.202 669 HG23 ILE 77 3HG2 ILE 77 -2.334 15.242 -2.317 670 HD11 ILE 77 3HD1 ILE 77 -0.186 11.877 -0.998 671 HD12 ILE 77 1HD1 ILE 77 -1.304 10.514 -0.951 672 HD13 ILE 77 2HD1 ILE 77 -1.850 12.119 -0.461 673 H GLY 78 H GLY 78 -1.987 11.282 -5.542 674 HA2 GLY 78 2HA GLY 78 -0.760 10.913 -7.688 675 HA3 GLY 78 1HA GLY 78 0.593 11.730 -6.904 676 H ILE 79 H ILE 79 0.343 8.994 -7.995 677 HA ILE 79 HA ILE 79 -0.025 7.151 -5.901 678 HB ILE 79 HB ILE 79 -0.251 6.450 -8.249 679 HG12 ILE 79 2HG1 ILE 79 1.027 4.311 -8.164 680 HG13 ILE 79 1HG1 ILE 79 1.933 4.953 -6.797 681 HG21 ILE 79 1HG2 ILE 79 1.724 6.034 -9.671 682 HG22 ILE 79 2HG2 ILE 79 2.721 6.847 -8.465 683 HG23 ILE 79 3HG2 ILE 79 1.462 7.740 -9.312 684 HD11 ILE 79 3HD1 ILE 79 -1.039 4.482 -6.854 685 HD12 ILE 79 1HD1 ILE 79 -0.103 5.059 -5.476 686 HD13 ILE 79 2HD1 ILE 79 0.160 3.431 -6.100 687 H GLU 80 H GLU 80 2.827 8.754 -7.114 688 HA GLU 80 HA GLU 80 4.889 7.349 -5.890 689 HB2 GLU 80 2HB GLU 80 4.754 10.350 -6.142 690 HB3 GLU 80 1HB GLU 80 6.200 9.370 -6.112 691 HG2 GLU 80 2HG GLU 80 6.076 9.840 -8.353 692 HG3 GLU 80 1HG GLU 80 5.111 8.369 -8.327 693 H ASN 81 H ASN 81 2.955 9.942 -4.779 694 HA ASN 81 HA ASN 81 4.132 10.332 -2.229 695 HB2 ASN 81 2HB ASN 81 1.424 11.134 -3.291 696 HB3 ASN 81 1HB ASN 81 2.017 11.661 -1.731 697 HD21 ASN 81 1HD2 ASN 81 2.147 12.108 -5.159 698 HD22 ASN 81 2HD2 ASN 81 3.230 13.432 -5.141 699 H VAL 82 H VAL 82 1.302 8.525 -3.320 700 HA VAL 82 HA VAL 82 0.451 7.782 -0.715 701 HB VAL 82 HB VAL 82 -0.177 6.257 -3.255 702 HG11 VAL 82 1HG1 VAL 82 -1.677 6.559 -0.662 703 HG12 VAL 82 2HG1 VAL 82 -0.820 5.120 -1.208 704 HG13 VAL 82 3HG1 VAL 82 -2.257 5.679 -2.071 705 HG21 VAL 82 3HG2 VAL 82 -0.693 8.611 -3.622 706 HG22 VAL 82 1HG2 VAL 82 -1.615 8.648 -2.121 707 HG23 VAL 82 2HG2 VAL 82 -2.172 7.664 -3.474 708 H ASN 83 H ASN 83 2.467 6.230 -3.153 709 HA ASN 83 HA ASN 83 2.826 3.745 -1.962 710 HB2 ASN 83 2HB ASN 83 4.756 5.368 -3.640 711 HB3 ASN 83 1HB ASN 83 5.094 3.720 -3.128 712 HD21 ASN 83 1HD2 ASN 83 4.809 4.771 -5.877 713 HD22 ASN 83 2HD2 ASN 83 3.504 3.854 -6.517 714 H GLN 84 H GLN 84 4.617 6.712 -1.462 715 HA GLN 84 HA GLN 84 6.473 5.708 0.423 716 HB2 GLN 84 2HB GLN 84 6.382 7.962 -0.918 717 HB3 GLN 84 1HB GLN 84 5.422 8.523 0.434 718 HG2 GLN 84 2HG GLN 84 8.279 7.544 0.589 719 HG3 GLN 84 1HG GLN 84 7.774 9.223 0.600 720 HE21 GLN 84 1HE2 GLN 84 8.164 6.324 2.408 721 HE22 GLN 84 2HE2 GLN 84 7.775 6.951 3.947 722 H LEU 85 H LEU 85 3.261 7.192 0.715 723 HA LEU 85 HA LEU 85 3.176 7.312 3.523 724 HB2 LEU 85 2HB LEU 85 0.889 7.081 1.570 725 HB3 LEU 85 1HB LEU 85 0.714 7.468 3.268 726 HG LEU 85 HG LEU 85 2.106 9.154 1.190 727 HD11 LEU 85 1HD1 LEU 85 -0.468 9.558 2.682 728 HD12 LEU 85 2HD1 LEU 85 -0.305 9.174 0.969 729 HD13 LEU 85 3HD1 LEU 85 0.277 10.719 1.586 730 HD21 LEU 85 3HD2 LEU 85 2.281 10.837 2.973 731 HD22 LEU 85 1HD2 LEU 85 3.210 9.384 3.340 732 HD23 LEU 85 2HD2 LEU 85 1.657 9.661 4.130 733 H ILE 86 H ILE 86 2.156 4.771 1.288 734 HA ILE 86 HA ILE 86 1.039 3.077 3.247 735 HB ILE 86 HB ILE 86 2.275 2.305 0.582 736 HG12 ILE 86 2HG1 ILE 86 0.454 3.879 0.258 737 HG13 ILE 86 1HG1 ILE 86 -0.055 2.279 -0.256 738 HG21 ILE 86 1HG2 ILE 86 0.921 0.260 0.719 739 HG22 ILE 86 2HG2 ILE 86 0.386 0.737 2.332 740 HG23 ILE 86 3HG2 ILE 86 2.087 0.365 2.043 741 HD11 ILE 86 3HD1 ILE 86 -1.293 2.018 1.858 742 HD12 ILE 86 1HD1 ILE 86 -1.843 3.408 0.919 743 HD13 ILE 86 2HD1 ILE 86 -0.806 3.649 2.321 744 H LEU 87 H LEU 87 4.322 3.365 1.978 745 HA LEU 87 HA LEU 87 5.440 1.228 3.423 746 HB2 LEU 87 2HB LEU 87 6.702 3.815 2.519 747 HB3 LEU 87 1HB LEU 87 7.605 2.457 3.150 748 HG LEU 87 HG LEU 87 5.985 2.489 0.606 749 HD11 LEU 87 1HD1 LEU 87 8.153 2.226 -0.485 750 HD12 LEU 87 2HD1 LEU 87 8.957 2.353 1.076 751 HD13 LEU 87 3HD1 LEU 87 8.068 3.735 0.426 752 HD21 LEU 87 3HD2 LEU 87 7.637 0.313 1.861 753 HD22 LEU 87 1HD2 LEU 87 6.955 0.256 0.232 754 HD23 LEU 87 2HD2 LEU 87 5.885 0.307 1.633 755 H THR 88 H THR 88 4.881 4.548 4.231 756 HA THR 88 HA THR 88 6.145 4.566 6.764 757 HB THR 88 HB THR 88 3.827 6.282 5.817 758 HG1 THR 88 1HG THR 88 5.574 6.356 4.334 759 HG21 THR 88 3HG2 THR 88 4.330 6.489 8.231 760 HG22 THR 88 1HG2 THR 88 4.763 7.961 7.359 761 HG23 THR 88 2HG2 THR 88 6.019 6.822 7.845 762 H THR 89 H THR 89 2.979 3.647 5.635 763 HA THR 89 HA THR 89 1.516 3.595 8.012 764 HB THR 89 HB THR 89 1.164 1.839 5.565 765 HG1 THR 89 1HG THR 89 1.195 4.234 5.256 766 HG21 THR 89 3HG2 THR 89 -0.814 2.731 7.673 767 HG22 THR 89 1HG2 THR 89 -0.171 1.099 7.494 768 HG23 THR 89 2HG2 THR 89 -1.195 1.789 6.234 769 H ILE 90 H ILE 90 3.475 1.119 6.430 770 HA ILE 90 HA ILE 90 2.847 -0.769 8.525 771 HB ILE 90 HB ILE 90 4.338 -2.332 7.284 772 HG12 ILE 90 2HG1 ILE 90 4.445 -0.069 5.266 773 HG13 ILE 90 1HG1 ILE 90 5.800 -0.661 6.215 774 HG21 ILE 90 1HG2 ILE 90 2.096 -1.033 5.763 775 HG22 ILE 90 2HG2 ILE 90 1.953 -2.331 6.949 776 HG23 ILE 90 3HG2 ILE 90 2.771 -2.621 5.413 777 HD11 ILE 90 3HD1 ILE 90 5.887 -1.472 3.945 778 HD12 ILE 90 1HD1 ILE 90 4.291 -2.209 4.121 779 HD13 ILE 90 2HD1 ILE 90 5.655 -2.808 5.073 780 H LYS 91 H LYS 91 5.213 1.600 8.033 781 HA LYS 91 HA LYS 91 7.094 0.154 9.668 782 HB2 LYS 91 2HB LYS 91 7.389 2.878 8.397 783 HB3 LYS 91 1HB LYS 91 8.599 2.114 9.420 784 HG2 LYS 91 2HG LYS 91 8.739 0.257 7.824 785 HG3 LYS 91 1HG LYS 91 7.571 1.074 6.800 786 HD2 LYS 91 2HD LYS 91 9.725 1.486 5.883 787 HD3 LYS 91 1HD LYS 91 9.188 2.990 6.618 788 HE2 LYS 91 2HE LYS 91 10.934 1.081 8.153 789 HE3 LYS 91 1HE LYS 91 11.639 2.160 6.960 790 HZ1 LYS 91 3HZ LYS 91 11.587 2.871 9.380 791 HZ2 LYS 91 1HZ LYS 91 9.961 3.236 9.180 792 HZ3 LYS 91 2HZ LYS 91 11.139 4.018 8.259 793 H LEU 92 H LEU 92 5.589 0.063 11.426 794 HA LEU 92 HA LEU 92 5.470 2.464 13.030 795 HB2 LEU 92 2HB LEU 92 4.881 -0.435 13.762 796 HB3 LEU 92 1HB LEU 92 4.752 0.888 14.893 797 HG LEU 92 HG LEU 92 2.950 1.851 13.391 798 HD11 LEU 92 1HD1 LEU 92 3.008 -0.884 12.147 799 HD12 LEU 92 2HD1 LEU 92 3.457 0.627 11.353 800 HD13 LEU 92 3HD1 LEU 92 1.793 0.365 11.876 801 HD21 LEU 92 3HD2 LEU 92 2.440 0.724 15.477 802 HD22 LEU 92 1HD2 LEU 92 2.460 -0.836 14.654 803 HD23 LEU 92 2HD2 LEU 92 1.223 0.357 14.258 804 H GLU 93 H GLU 93 7.506 3.115 13.188 805 HA GLU 93 HA GLU 93 9.423 1.333 14.472 806 HB2 GLU 93 2HB GLU 93 9.493 1.246 11.960 807 HB3 GLU 93 1HB GLU 93 9.906 2.944 11.975 808 HG2 GLU 93 2HG GLU 93 11.995 2.462 13.067 809 HG3 GLU 93 1HG GLU 93 11.545 0.763 13.222 810 H HIS 94 H HIS 94 11.270 2.585 15.292 811 HA HIS 94 HA HIS 94 12.219 4.198 16.492 812 HB2 HIS 94 2HB HIS 94 10.682 6.108 14.686 813 HB3 HIS 94 1HB HIS 94 11.831 6.643 15.902 814 HD1 HIS 94 1HD HIS 94 14.286 6.790 15.143 815 HD2 HIS 94 2HD HIS 94 11.892 4.548 12.571 816 HE1 HIS 94 1HE HIS 94 15.715 6.236 13.172 817 HE2 HIS 94 2HE HIS 94 14.183 5.105 11.554 818 H HIS 95 H HIS 95 10.220 2.877 17.563 819 HA HIS 95 HA HIS 95 8.262 4.528 18.850 820 HB2 HIS 95 2HB HIS 95 9.375 1.838 19.722 821 HB3 HIS 95 1HB HIS 95 8.026 2.645 20.503 822 HD1 HIS 95 1HD HIS 95 5.864 3.007 18.873 823 HD2 HIS 95 2HD HIS 95 8.662 0.196 17.671 824 HE1 HIS 95 1HE HIS 95 4.704 1.591 17.194 825 HE2 HIS 95 2HE HIS 95 6.313 -0.303 16.842 826 H HIS 96 H HIS 96 11.461 3.535 19.484 827 HA HIS 96 HA HIS 96 11.758 5.164 21.858 828 HB2 HIS 96 2HB HIS 96 13.104 3.055 21.506 829 HB3 HIS 96 1HB HIS 96 13.743 3.751 20.034 830 HD1 HIS 96 1HD HIS 96 13.994 4.069 23.790 831 HD2 HIS 96 2HD HIS 96 15.950 5.352 20.355 832 HE1 HIS 96 1HE HIS 96 16.123 5.095 24.573 833 HE2 HIS 96 2HE HIS 96 17.418 5.443 22.469 834 H HIS 97 H HIS 97 11.478 7.262 21.338 835 HA HIS 97 HA HIS 97 11.781 8.196 18.688 836 HB2 HIS 97 2HB HIS 97 11.264 9.766 21.207 837 HB3 HIS 97 1HB HIS 97 11.290 10.459 19.592 838 HD1 HIS 97 1HD HIS 97 9.041 9.034 21.990 839 HD2 HIS 97 2HD HIS 97 9.238 9.188 17.850 840 HE1 HIS 97 1HE HIS 97 6.707 8.560 21.179 841 HE2 HIS 97 2HE HIS 97 6.831 8.943 18.697 842 H HIS 98 H HIS 98 13.747 7.748 18.165 843 HA HIS 98 HA HIS 98 15.742 9.702 18.988 844 HB2 HIS 98 2HB HIS 98 16.433 7.537 19.823 845 HB3 HIS 98 1HB HIS 98 16.066 6.787 18.277 846 HD1 HIS 98 1HD HIS 98 18.061 6.390 16.855 847 HD2 HIS 98 2HD HIS 98 18.659 9.520 19.517 848 HE1 HIS 98 1HE HIS 98 20.420 7.129 16.505 849 HE2 HIS 98 2HE HIS 98 20.828 8.768 18.339 850 H HIS 99 H HIS 99 16.057 11.010 17.426 851 HA HIS 99 HA HIS 99 16.538 10.180 14.789 852 HB2 HIS 99 2HB HIS 99 14.861 11.813 13.772 853 HB3 HIS 99 1HB HIS 99 14.153 10.363 14.450 854 HD1 HIS 99 1HD HIS 99 13.789 13.996 14.466 855 HD2 HIS 99 2HD HIS 99 12.939 10.891 17.097 856 HE1 HIS 99 1HE HIS 99 12.059 14.876 16.011 857 HE2 HIS 99 2HE HIS 99 11.344 12.865 17.335 Start of MODEL 13 1 H1 MET 1 1HT MET 1 0.299 14.335 10.345 2 H2 MET 1 2HT MET 1 0.782 14.801 8.828 3 H3 MET 1 3HT MET 1 1.613 13.569 9.608 4 HA MET 1 HA MET 1 0.187 12.693 7.895 5 HB2 MET 1 2HB MET 1 -0.767 12.125 10.707 6 HB3 MET 1 1HB MET 1 -1.257 11.209 9.291 7 HG2 MET 1 2HG MET 1 1.582 11.485 10.217 8 HG3 MET 1 1HG MET 1 0.523 10.130 10.612 9 HE1 MET 1 2HE MET 1 3.352 9.742 9.281 10 HE2 MET 1 3HE MET 1 2.979 8.539 8.046 11 HE3 MET 1 1HE MET 1 2.255 8.413 9.651 12 H SER 2 H SER 2 -1.064 13.897 6.605 13 HA SER 2 HA SER 2 -3.511 15.062 7.670 14 HB2 SER 2 2HB SER 2 -2.301 15.268 4.904 15 HB3 SER 2 1HB SER 2 -3.648 16.222 5.532 16 HG SER 2 HG SER 2 -1.194 16.178 6.888 17 H ILE 3 H ILE 3 -2.390 12.277 6.093 18 HA ILE 3 HA ILE 3 -4.839 11.746 4.662 19 HB ILE 3 HB ILE 3 -2.669 11.185 3.643 20 HG12 ILE 3 2HG1 ILE 3 -4.211 8.637 4.220 21 HG13 ILE 3 1HG1 ILE 3 -4.715 9.837 3.049 22 HG21 ILE 3 1HG2 ILE 3 -1.385 10.671 5.598 23 HG22 ILE 3 2HG2 ILE 3 -1.315 9.309 4.479 24 HG23 ILE 3 3HG2 ILE 3 -2.352 9.230 5.898 25 HD11 ILE 3 3HD1 ILE 3 -2.666 9.399 1.760 26 HD12 ILE 3 1HD1 ILE 3 -3.632 7.940 1.976 27 HD13 ILE 3 2HD1 ILE 3 -2.186 8.193 2.955 28 H LEU 4 H LEU 4 -4.514 11.787 7.743 29 HA LEU 4 HA LEU 4 -5.298 9.131 8.510 30 HB2 LEU 4 2HB LEU 4 -5.451 11.719 10.048 31 HB3 LEU 4 1HB LEU 4 -5.828 10.152 10.729 32 HG LEU 4 HG LEU 4 -3.144 11.050 9.719 33 HD11 LEU 4 1HD1 LEU 4 -3.766 12.139 11.796 34 HD12 LEU 4 2HD1 LEU 4 -2.491 10.954 12.086 35 HD13 LEU 4 3HD1 LEU 4 -4.161 10.578 12.517 36 HD21 LEU 4 3HD2 LEU 4 -2.306 8.949 10.703 37 HD22 LEU 4 1HD2 LEU 4 -3.436 8.656 9.380 38 HD23 LEU 4 2HD2 LEU 4 -3.967 8.467 11.048 39 H GLU 5 H GLU 5 -6.819 11.508 6.921 40 HA GLU 5 HA GLU 5 -9.454 11.316 7.973 41 HB2 GLU 5 2HB GLU 5 -8.342 12.342 5.401 42 HB3 GLU 5 1HB GLU 5 -10.052 12.420 5.756 43 HG2 GLU 5 2HG GLU 5 -9.394 13.694 7.852 44 HG3 GLU 5 1HG GLU 5 -7.774 13.775 7.161 45 H ASP 6 H ASP 6 -7.591 9.150 6.252 46 HA ASP 6 HA ASP 6 -9.873 8.049 4.842 47 HB2 ASP 6 2HB ASP 6 -7.632 8.171 3.678 48 HB3 ASP 6 1HB ASP 6 -7.053 7.002 4.856 49 HA PRO 7 HA PRO 7 -10.653 5.489 8.417 50 HB2 PRO 7 2HB PRO 7 -12.360 3.994 6.540 51 HB3 PRO 7 1HB PRO 7 -12.776 4.789 8.061 52 HG2 PRO 7 2HG PRO 7 -13.522 5.811 5.699 53 HG3 PRO 7 1HG PRO 7 -13.064 6.846 7.060 54 HD2 PRO 7 2HD PRO 7 -11.476 6.106 4.631 55 HD3 PRO 7 1HD PRO 7 -11.612 7.654 5.509 56 H GLU 8 H GLU 8 -9.761 4.208 5.247 57 HA GLU 8 HA GLU 8 -9.361 1.558 6.264 58 HB2 GLU 8 2HB GLU 8 -8.463 2.758 3.636 59 HB3 GLU 8 1HB GLU 8 -8.560 1.040 4.019 60 HG2 GLU 8 2HG GLU 8 -10.867 2.962 3.785 61 HG3 GLU 8 1HG GLU 8 -10.411 1.728 2.614 62 H PHE 9 H PHE 9 -7.450 4.312 5.324 63 HA PHE 9 HA PHE 9 -4.867 3.375 5.741 64 HB2 PHE 9 2HB PHE 9 -5.455 5.574 4.726 65 HB3 PHE 9 1HB PHE 9 -5.899 6.158 6.326 66 HD1 PHE 9 2HD PHE 9 -4.163 6.632 7.998 67 HD2 PHE 9 1HD PHE 9 -3.181 5.350 4.061 68 HE1 PHE 9 2HE PHE 9 -1.841 7.367 8.344 69 HE2 PHE 9 1HE PHE 9 -0.867 6.089 4.396 70 HZ PHE 9 HZ PHE 9 -0.190 7.098 6.542 71 H VAL 10 H VAL 10 -7.079 4.895 8.078 72 HA VAL 10 HA VAL 10 -5.221 4.721 10.181 73 HB VAL 10 HB VAL 10 -7.191 6.269 10.268 74 HG11 VAL 10 1HG1 VAL 10 -8.792 3.827 10.946 75 HG12 VAL 10 2HG1 VAL 10 -8.930 4.805 9.490 76 HG13 VAL 10 3HG1 VAL 10 -9.352 5.498 11.059 77 HG21 VAL 10 3HG2 VAL 10 -6.901 4.446 12.649 78 HG22 VAL 10 1HG2 VAL 10 -7.604 6.065 12.684 79 HG23 VAL 10 2HG2 VAL 10 -5.899 5.848 12.278 80 H LYS 11 H LYS 11 -7.590 2.414 9.001 81 HA LYS 11 HA LYS 11 -7.352 0.550 11.109 82 HB2 LYS 11 2HB LYS 11 -7.853 0.022 8.177 83 HB3 LYS 11 1HB LYS 11 -8.030 -1.171 9.449 84 HG2 LYS 11 2HG LYS 11 -9.816 0.195 10.439 85 HG3 LYS 11 1HG LYS 11 -9.649 1.337 9.100 86 HD2 LYS 11 2HD LYS 11 -10.139 -0.482 7.523 87 HD3 LYS 11 1HD LYS 11 -10.368 -1.575 8.891 88 HE2 LYS 11 2HE LYS 11 -12.525 -0.818 8.104 89 HE3 LYS 11 1HE LYS 11 -12.202 -0.130 9.692 90 HZ1 LYS 11 3HZ LYS 11 -11.522 1.927 8.592 91 HZ2 LYS 11 1HZ LYS 11 -13.123 1.512 8.232 92 HZ3 LYS 11 2HZ LYS 11 -11.933 1.250 7.078 93 H LEU 12 H LEU 12 -5.549 0.993 8.117 94 HA LEU 12 HA LEU 12 -3.843 -1.207 8.292 95 HB2 LEU 12 2HB LEU 12 -3.302 1.505 7.125 96 HB3 LEU 12 1HB LEU 12 -2.300 0.098 6.866 97 HG LEU 12 HG LEU 12 -5.162 0.401 5.955 98 HD11 LEU 12 1HD1 LEU 12 -2.543 0.479 4.466 99 HD12 LEU 12 2HD1 LEU 12 -3.615 1.850 4.757 100 HD13 LEU 12 3HD1 LEU 12 -4.147 0.509 3.740 101 HD21 LEU 12 3HD2 LEU 12 -4.732 -1.643 4.707 102 HD22 LEU 12 1HD2 LEU 12 -4.543 -1.923 6.439 103 HD23 LEU 12 2HD2 LEU 12 -3.120 -1.737 5.408 104 H ARG 13 H ARG 13 -3.458 2.045 9.606 105 HA ARG 13 HA ARG 13 -0.842 1.781 10.614 106 HB2 ARG 13 2HB ARG 13 -3.143 3.464 11.626 107 HB3 ARG 13 1HB ARG 13 -1.507 3.583 12.255 108 HG2 ARG 13 2HG ARG 13 -2.245 4.050 9.379 109 HG3 ARG 13 1HG ARG 13 -2.106 5.324 10.589 110 HD2 ARG 13 2HD ARG 13 0.137 3.422 9.892 111 HD3 ARG 13 1HD ARG 13 -0.088 4.998 9.145 112 HE ARG 13 HE ARG 13 -0.030 5.674 11.708 113 HH11 ARG 13 1HH1 ARG 13 2.104 3.266 10.201 114 HH12 ARG 13 2HH1 ARG 13 3.520 3.882 10.884 115 HH21 ARG 13 1HH2 ARG 13 1.924 6.492 12.670 116 HH22 ARG 13 2HH2 ARG 13 3.433 5.777 12.318 117 H GLN 14 H GLN 14 -3.910 0.864 11.975 118 HA GLN 14 HA GLN 14 -2.861 0.130 14.558 119 HB2 GLN 14 2HB GLN 14 -5.516 -0.473 13.242 120 HB3 GLN 14 1HB GLN 14 -5.137 -0.733 14.936 121 HG2 GLN 14 2HG GLN 14 -4.963 1.605 15.332 122 HG3 GLN 14 1HG GLN 14 -5.061 1.965 13.606 123 HE21 GLN 14 1HE2 GLN 14 -7.020 1.832 12.598 124 HE22 GLN 14 2HE2 GLN 14 -8.526 1.738 13.450 125 H PHE 15 H PHE 15 -3.821 -1.480 11.618 126 HA PHE 15 HA PHE 15 -3.725 -4.161 12.587 127 HB2 PHE 15 2HB PHE 15 -5.190 -3.365 10.739 128 HB3 PHE 15 1HB PHE 15 -3.764 -3.100 9.771 129 HD1 PHE 15 2HD PHE 15 -5.460 -5.837 11.652 130 HD2 PHE 15 1HD PHE 15 -3.105 -4.726 8.285 131 HE1 PHE 15 2HE PHE 15 -5.620 -8.135 10.784 132 HE2 PHE 15 1HE PHE 15 -3.269 -7.017 7.411 133 HZ PHE 15 HZ PHE 15 -4.523 -8.725 8.664 134 H LYS 16 H LYS 16 -1.601 -2.323 10.390 135 HA LYS 16 HA LYS 16 0.404 -2.675 9.491 136 HB2 LYS 16 2HB LYS 16 1.226 -2.748 11.843 137 HB3 LYS 16 1HB LYS 16 0.946 -4.479 11.887 138 HG2 LYS 16 2HG LYS 16 2.639 -4.787 10.133 139 HG3 LYS 16 1HG LYS 16 2.923 -3.045 10.111 140 HD2 LYS 16 2HD LYS 16 3.571 -3.155 12.491 141 HD3 LYS 16 1HD LYS 16 3.352 -4.905 12.448 142 HE2 LYS 16 2HE LYS 16 5.098 -5.057 10.712 143 HE3 LYS 16 1HE LYS 16 5.327 -3.311 10.809 144 HZ1 LYS 16 3HZ LYS 16 6.995 -4.409 12.147 145 HZ2 LYS 16 1HZ LYS 16 5.805 -5.268 12.987 146 HZ3 LYS 16 2HZ LYS 16 5.917 -3.612 13.165 147 H GLY 17 H GLY 17 1.020 -3.815 7.786 148 HA2 GLY 17 2HA GLY 17 -0.831 -5.744 6.942 149 HA3 GLY 17 1HA GLY 17 0.566 -5.212 6.020 150 H LYS 18 H LYS 18 1.892 -6.428 8.734 151 HA LYS 18 HA LYS 18 2.784 -8.414 9.454 152 HB2 LYS 18 2HB LYS 18 0.512 -9.586 7.883 153 HB3 LYS 18 1HB LYS 18 1.440 -10.461 9.110 154 HG2 LYS 18 2HG LYS 18 0.477 -9.248 10.846 155 HG3 LYS 18 1HG LYS 18 0.030 -7.913 9.783 156 HD2 LYS 18 2HD LYS 18 -1.978 -9.033 10.326 157 HD3 LYS 18 1HD LYS 18 -1.543 -9.436 8.678 158 HE2 LYS 18 2HE LYS 18 -0.591 -11.569 9.375 159 HE3 LYS 18 1HE LYS 18 -0.992 -11.218 11.057 160 HZ1 LYS 18 3HZ LYS 18 -2.917 -11.642 8.830 161 HZ2 LYS 18 1HZ LYS 18 -3.367 -11.256 10.411 162 HZ3 LYS 18 2HZ LYS 18 -2.586 -12.697 10.065 163 H VAL 19 H VAL 19 3.006 -7.359 6.524 164 HA VAL 19 HA VAL 19 4.409 -9.637 5.340 165 HB VAL 19 HB VAL 19 4.204 -8.292 3.168 166 HG11 VAL 19 1HG1 VAL 19 1.903 -9.017 2.750 167 HG12 VAL 19 2HG1 VAL 19 1.673 -9.271 4.480 168 HG13 VAL 19 3HG1 VAL 19 2.836 -10.254 3.587 169 HG21 VAL 19 3HG2 VAL 19 3.650 -6.144 4.173 170 HG22 VAL 19 1HG2 VAL 19 2.148 -6.817 4.804 171 HG23 VAL 19 2HG2 VAL 19 2.381 -6.667 3.064 172 H ASN 20 H ASN 20 6.183 -8.943 3.881 173 HA ASN 20 HA ASN 20 8.172 -7.587 5.374 174 HB2 ASN 20 2HB ASN 20 8.499 -9.442 3.611 175 HB3 ASN 20 1HB ASN 20 8.205 -8.174 2.434 176 HD21 ASN 20 1HD2 ASN 20 10.565 -9.837 2.933 177 HD22 ASN 20 2HD2 ASN 20 11.876 -8.749 3.144 178 H PHE 21 H PHE 21 8.747 -5.529 5.321 179 HA PHE 21 HA PHE 21 7.210 -3.479 4.239 180 HB2 PHE 21 2HB PHE 21 8.644 -2.994 6.077 181 HB3 PHE 21 1HB PHE 21 10.055 -3.601 5.222 182 HD1 PHE 21 2HD PHE 21 7.633 -0.847 5.391 183 HD2 PHE 21 1HD PHE 21 11.317 -2.230 3.807 184 HE1 PHE 21 2HE PHE 21 8.127 1.407 4.583 185 HE2 PHE 21 1HE PHE 21 11.825 0.016 2.985 186 HZ PHE 21 HZ PHE 21 10.238 1.830 3.339 187 H ASN 22 H ASN 22 9.997 -5.160 3.011 188 HA ASN 22 HA ASN 22 10.502 -3.336 0.861 189 HB2 ASN 22 2HB ASN 22 11.504 -6.179 1.185 190 HB3 ASN 22 1HB ASN 22 12.143 -4.985 0.064 191 HD21 ASN 22 1HD2 ASN 22 12.030 -6.063 3.345 192 HD22 ASN 22 2HD2 ASN 22 13.277 -5.050 3.949 193 H LEU 23 H LEU 23 8.600 -6.160 1.347 194 HA LEU 23 HA LEU 23 8.125 -6.758 -1.387 195 HB2 LEU 23 2HB LEU 23 7.776 -8.427 0.362 196 HB3 LEU 23 1HB LEU 23 6.522 -7.420 1.067 197 HG LEU 23 HG LEU 23 5.146 -7.730 -0.929 198 HD11 LEU 23 1HD1 LEU 23 5.773 -9.421 -2.589 199 HD12 LEU 23 2HD1 LEU 23 7.370 -9.556 -1.846 200 HD13 LEU 23 3HD1 LEU 23 6.860 -8.038 -2.595 201 HD21 LEU 23 3HD2 LEU 23 6.123 -10.281 0.338 202 HD22 LEU 23 1HD2 LEU 23 4.615 -10.102 -0.550 203 HD23 LEU 23 2HD2 LEU 23 4.845 -9.230 0.956 204 H VAL 24 H VAL 24 6.352 -4.989 1.112 205 HA VAL 24 HA VAL 24 4.201 -4.194 -0.531 206 HB VAL 24 HB VAL 24 5.375 -2.679 1.815 207 HG11 VAL 24 1HG1 VAL 24 3.878 -1.281 0.470 208 HG12 VAL 24 2HG1 VAL 24 3.159 -1.659 2.035 209 HG13 VAL 24 3HG1 VAL 24 2.619 -2.510 0.587 210 HG21 VAL 24 3HG2 VAL 24 3.205 -4.747 1.699 211 HG22 VAL 24 1HG2 VAL 24 3.614 -3.790 3.124 212 HG23 VAL 24 2HG2 VAL 24 4.792 -4.914 2.445 213 H MET 25 H MET 25 7.315 -2.707 0.148 214 HA MET 25 HA MET 25 7.055 -0.441 -1.472 215 HB2 MET 25 2HB MET 25 8.920 -0.511 -0.032 216 HB3 MET 25 1HB MET 25 9.529 -2.021 -0.631 217 HG2 MET 25 2HG MET 25 10.020 -0.861 -2.803 218 HG3 MET 25 1HG MET 25 9.508 0.645 -2.051 219 HE1 MET 25 3HE MET 25 10.670 0.346 0.913 220 HE2 MET 25 1HE MET 25 10.769 1.813 -0.069 221 HE3 MET 25 2HE MET 25 12.216 1.170 0.710 222 H GLN 26 H GLN 26 8.018 -3.710 -2.322 223 HA GLN 26 HA GLN 26 8.493 -3.116 -5.035 224 HB2 GLN 26 2HB GLN 26 9.362 -5.185 -4.042 225 HB3 GLN 26 1HB GLN 26 7.723 -5.765 -3.779 226 HG2 GLN 26 2HG GLN 26 7.349 -5.764 -6.207 227 HG3 GLN 26 1HG GLN 26 9.006 -5.232 -6.447 228 HE21 GLN 26 1HE2 GLN 26 9.528 -6.987 -7.644 229 HE22 GLN 26 2HE2 GLN 26 9.706 -8.568 -6.980 230 H ILE 27 H ILE 27 5.592 -4.262 -3.346 231 HA ILE 27 HA ILE 27 3.917 -4.622 -5.559 232 HB ILE 27 HB ILE 27 3.155 -3.589 -2.805 233 HG12 ILE 27 2HG1 ILE 27 4.225 -5.792 -2.733 234 HG13 ILE 27 1HG1 ILE 27 2.519 -5.907 -2.315 235 HG21 ILE 27 1HG2 ILE 27 1.380 -3.074 -4.388 236 HG22 ILE 27 2HG2 ILE 27 0.865 -4.353 -3.289 237 HG23 ILE 27 3HG2 ILE 27 1.354 -4.752 -4.934 238 HD11 ILE 27 3HD1 ILE 27 2.038 -6.715 -4.573 239 HD12 ILE 27 1HD1 ILE 27 3.184 -7.745 -3.720 240 HD13 ILE 27 2HD1 ILE 27 3.760 -6.634 -4.957 241 H LEU 28 H LEU 28 4.422 -1.775 -3.581 242 HA LEU 28 HA LEU 28 2.758 0.001 -4.987 243 HB2 LEU 28 2HB LEU 28 5.206 0.546 -3.321 244 HB3 LEU 28 1HB LEU 28 4.033 1.752 -3.809 245 HG LEU 28 HG LEU 28 3.372 -0.625 -2.072 246 HD11 LEU 28 1HD1 LEU 28 3.351 0.947 -0.216 247 HD12 LEU 28 2HD1 LEU 28 3.960 2.218 -1.282 248 HD13 LEU 28 3HD1 LEU 28 4.951 0.805 -0.937 249 HD21 LEU 28 3HD2 LEU 28 1.462 0.288 -3.281 250 HD22 LEU 28 1HD2 LEU 28 1.859 1.905 -2.693 251 HD23 LEU 28 2HD2 LEU 28 1.355 0.654 -1.559 252 H ASP 29 H ASP 29 6.171 -0.734 -5.240 253 HA ASP 29 HA ASP 29 6.976 1.163 -7.179 254 HB2 ASP 29 2HB ASP 29 8.429 -0.376 -5.720 255 HB3 ASP 29 1HB ASP 29 7.978 -1.632 -6.816 256 H GLU 30 H GLU 30 5.888 -2.132 -7.423 257 HA GLU 30 HA GLU 30 6.184 -2.510 -10.184 258 HB2 GLU 30 2HB GLU 30 5.793 -4.200 -8.207 259 HB3 GLU 30 1HB GLU 30 4.099 -3.960 -8.605 260 HG2 GLU 30 2HG GLU 30 4.427 -4.801 -10.818 261 HG3 GLU 30 1HG GLU 30 6.164 -4.886 -10.569 262 H ILE 31 H ILE 31 3.265 -1.661 -8.268 263 HA ILE 31 HA ILE 31 1.637 -1.442 -10.582 264 HB ILE 31 HB ILE 31 -0.018 -0.220 -9.206 265 HG12 ILE 31 2HG1 ILE 31 2.034 -0.369 -6.988 266 HG13 ILE 31 1HG1 ILE 31 1.571 1.095 -7.844 267 HG21 ILE 31 1HG2 ILE 31 -0.071 -2.619 -9.116 268 HG22 ILE 31 2HG2 ILE 31 -0.439 -1.963 -7.514 269 HG23 ILE 31 3HG2 ILE 31 1.154 -2.624 -7.846 270 HD11 ILE 31 3HD1 ILE 31 -0.692 0.881 -6.972 271 HD12 ILE 31 1HD1 ILE 31 0.503 0.948 -5.676 272 HD13 ILE 31 2HD1 ILE 31 -0.223 -0.596 -6.132 273 H GLU 32 H GLU 32 3.571 0.892 -8.775 274 HA GLU 32 HA GLU 32 2.780 3.232 -10.010 275 HB2 GLU 32 2HB GLU 32 4.080 3.160 -7.999 276 HB3 GLU 32 1HB GLU 32 5.398 2.363 -8.832 277 HG2 GLU 32 2HG GLU 32 5.716 4.326 -10.188 278 HG3 GLU 32 1HG GLU 32 4.433 5.160 -9.297 279 H LEU 33 H LEU 33 5.383 0.973 -10.854 280 HA LEU 33 HA LEU 33 6.368 2.548 -12.909 281 HB2 LEU 33 2HB LEU 33 7.652 0.601 -13.747 282 HB3 LEU 33 1HB LEU 33 7.862 0.888 -12.047 283 HG LEU 33 HG LEU 33 6.146 -1.031 -11.739 284 HD11 LEU 33 1HD1 LEU 33 5.397 -1.214 -14.040 285 HD12 LEU 33 2HD1 LEU 33 6.152 -2.716 -13.505 286 HD13 LEU 33 3HD1 LEU 33 7.036 -1.610 -14.559 287 HD21 LEU 33 3HD2 LEU 33 8.926 -1.553 -12.774 288 HD22 LEU 33 1HD2 LEU 33 7.945 -2.693 -11.854 289 HD23 LEU 33 2HD2 LEU 33 8.478 -1.188 -11.107 290 H ASP 34 H ASP 34 3.863 0.149 -13.005 291 HA ASP 34 HA ASP 34 3.581 0.294 -15.856 292 HB2 ASP 34 2HB ASP 34 2.762 -1.680 -14.667 293 HB3 ASP 34 1HB ASP 34 1.624 -0.682 -13.768 294 H LEU 35 H LEU 35 1.808 1.583 -13.095 295 HA LEU 35 HA LEU 35 -0.258 2.884 -14.401 296 HB2 LEU 35 2HB LEU 35 -0.357 2.435 -12.078 297 HB3 LEU 35 1HB LEU 35 1.064 3.404 -11.765 298 HG LEU 35 HG LEU 35 -0.211 5.427 -12.367 299 HD11 LEU 35 1HD1 LEU 35 -1.830 4.493 -13.871 300 HD12 LEU 35 2HD1 LEU 35 -2.657 5.294 -12.534 301 HD13 LEU 35 3HD1 LEU 35 -2.534 3.533 -12.575 302 HD21 LEU 35 3HD2 LEU 35 -1.596 5.465 -10.349 303 HD22 LEU 35 1HD2 LEU 35 -0.011 4.749 -10.055 304 HD23 LEU 35 2HD2 LEU 35 -1.430 3.716 -10.216 305 H ARG 36 H ARG 36 2.982 4.023 -13.771 306 HA ARG 36 HA ARG 36 2.328 6.709 -14.330 307 HB2 ARG 36 2HB ARG 36 4.307 5.771 -12.974 308 HB3 ARG 36 1HB ARG 36 5.096 5.591 -14.536 309 HG2 ARG 36 2HG ARG 36 4.980 7.933 -14.942 310 HG3 ARG 36 1HG ARG 36 3.981 8.180 -13.511 311 HD2 ARG 36 2HD ARG 36 5.913 7.193 -12.189 312 HD3 ARG 36 1HD ARG 36 6.872 7.404 -13.657 313 HE ARG 36 HE ARG 36 5.881 9.808 -13.429 314 HH11 ARG 36 1HH1 ARG 36 7.321 7.755 -10.916 315 HH12 ARG 36 2HH1 ARG 36 7.711 9.068 -9.916 316 HH21 ARG 36 1HH2 ARG 36 6.389 11.559 -12.042 317 HH22 ARG 36 2HH2 ARG 36 7.208 11.312 -10.567 318 H GLY 37 H GLY 37 2.738 4.016 -16.269 319 HA2 GLY 37 2HA GLY 37 3.295 5.644 -18.655 320 HA3 GLY 37 1HA GLY 37 3.505 3.897 -18.553 321 H SER 38 H SER 38 1.015 3.423 -17.143 322 HA SER 38 HA SER 38 -0.810 3.614 -19.382 323 HB2 SER 38 2HB SER 38 -2.037 1.892 -18.044 324 HB3 SER 38 1HB SER 38 -0.379 1.422 -18.399 325 HG SER 38 HG SER 38 -0.431 1.055 -16.282 326 H ASP 39 H ASP 39 -3.149 3.337 -17.497 327 HA ASP 39 HA ASP 39 -3.101 5.886 -16.061 328 HB2 ASP 39 2HB ASP 39 -3.999 6.454 -18.299 329 HB3 ASP 39 1HB ASP 39 -5.290 5.276 -18.060 330 H ASN 40 H ASN 40 -4.866 2.932 -16.795 331 HA ASN 40 HA ASN 40 -6.544 3.288 -14.511 332 HB2 ASN 40 2HB ASN 40 -6.334 0.986 -16.460 333 HB3 ASN 40 1HB ASN 40 -7.426 0.994 -15.080 334 HD21 ASN 40 1HD2 ASN 40 -8.071 0.842 -17.891 335 HD22 ASN 40 2HD2 ASN 40 -9.071 2.199 -18.244 336 H ILE 41 H ILE 41 -5.392 3.291 -12.759 337 HA ILE 41 HA ILE 41 -3.254 1.629 -12.082 338 HB ILE 41 HB ILE 41 -3.649 3.661 -10.818 339 HG12 ILE 41 2HG1 ILE 41 -4.020 1.250 -9.009 340 HG13 ILE 41 1HG1 ILE 41 -2.481 1.837 -9.617 341 HG21 ILE 41 1HG2 ILE 41 -5.984 3.877 -10.928 342 HG22 ILE 41 2HG2 ILE 41 -5.547 3.838 -9.216 343 HG23 ILE 41 3HG2 ILE 41 -6.229 2.404 -10.002 344 HD11 ILE 41 3HD1 ILE 41 -4.327 3.281 -7.724 345 HD12 ILE 41 1HD1 ILE 41 -2.806 3.923 -8.348 346 HD13 ILE 41 2HD1 ILE 41 -2.806 2.493 -7.317 347 H LYS 42 H LYS 42 -6.653 1.112 -11.884 348 HA LYS 42 HA LYS 42 -6.603 -1.087 -10.124 349 HB2 LYS 42 2HB LYS 42 -8.830 -1.643 -11.002 350 HB3 LYS 42 1HB LYS 42 -8.684 0.045 -10.532 351 HG2 LYS 42 2HG LYS 42 -8.376 0.620 -12.928 352 HG3 LYS 42 1HG LYS 42 -8.673 -1.070 -13.330 353 HD2 LYS 42 2HD LYS 42 -10.587 0.757 -11.881 354 HD3 LYS 42 1HD LYS 42 -10.696 0.311 -13.581 355 HE2 LYS 42 2HE LYS 42 -11.000 -2.024 -12.956 356 HE3 LYS 42 1HE LYS 42 -10.855 -1.609 -11.252 357 HZ1 LYS 42 3HZ LYS 42 -13.005 -0.732 -13.102 358 HZ2 LYS 42 1HZ LYS 42 -12.835 -0.195 -11.512 359 HZ3 LYS 42 2HZ LYS 42 -13.142 -1.807 -11.809 360 H THR 43 H THR 43 -6.119 -0.869 -13.599 361 HA THR 43 HA THR 43 -6.098 -3.690 -13.933 362 HB THR 43 HB THR 43 -5.040 -1.523 -15.781 363 HG1 THR 43 1HG THR 43 -7.370 -2.658 -16.474 364 HG21 THR 43 3HG2 THR 43 -4.276 -3.799 -16.346 365 HG22 THR 43 1HG2 THR 43 -5.428 -3.191 -17.537 366 HG23 THR 43 2HG2 THR 43 -5.951 -4.355 -16.315 367 H SER 44 H SER 44 -3.709 -1.142 -13.308 368 HA SER 44 HA SER 44 -1.397 -2.656 -13.625 369 HB2 SER 44 2HB SER 44 -1.898 -0.408 -11.659 370 HB3 SER 44 1HB SER 44 -0.343 -0.877 -12.355 371 HG SER 44 HG SER 44 -1.008 -0.158 -14.346 372 H ILE 45 H ILE 45 -3.571 -2.115 -10.892 373 HA ILE 45 HA ILE 45 -2.389 -3.587 -8.855 374 HB ILE 45 HB ILE 45 -5.320 -3.269 -9.570 375 HG12 ILE 45 2HG1 ILE 45 -4.220 -1.154 -9.010 376 HG13 ILE 45 1HG1 ILE 45 -5.421 -1.581 -7.801 377 HG21 ILE 45 1HG2 ILE 45 -4.220 -4.362 -6.999 378 HG22 ILE 45 2HG2 ILE 45 -5.157 -5.234 -8.210 379 HG23 ILE 45 3HG2 ILE 45 -5.907 -3.930 -7.287 380 HD11 ILE 45 3HD1 ILE 45 -2.439 -1.885 -7.543 381 HD12 ILE 45 1HD1 ILE 45 -3.625 -2.355 -6.324 382 HD13 ILE 45 2HD1 ILE 45 -3.446 -0.659 -6.768 383 H ILE 46 H ILE 46 -4.596 -4.638 -11.408 384 HA ILE 46 HA ILE 46 -4.896 -7.288 -10.706 385 HB ILE 46 HB ILE 46 -4.940 -6.096 -13.491 386 HG12 ILE 46 2HG1 ILE 46 -7.166 -6.767 -11.552 387 HG13 ILE 46 1HG1 ILE 46 -6.572 -5.154 -11.926 388 HG21 ILE 46 1HG2 ILE 46 -4.593 -8.515 -13.644 389 HG22 ILE 46 2HG2 ILE 46 -6.223 -8.090 -14.167 390 HG23 ILE 46 3HG2 ILE 46 -5.964 -8.792 -12.569 391 HD11 ILE 46 3HD1 ILE 46 -7.937 -7.028 -13.843 392 HD12 ILE 46 1HD1 ILE 46 -7.344 -5.413 -14.233 393 HD13 ILE 46 2HD1 ILE 46 -8.657 -5.614 -13.072 394 H TYR 47 H TYR 47 -2.384 -5.935 -12.865 395 HA TYR 47 HA TYR 47 -1.232 -8.389 -13.622 396 HB2 TYR 47 2HB TYR 47 0.394 -5.895 -13.132 397 HB3 TYR 47 1HB TYR 47 0.756 -7.208 -14.232 398 HD1 TYR 47 1HD TYR 47 -1.510 -7.514 -15.938 399 HD2 TYR 47 2HD TYR 47 0.040 -3.987 -14.174 400 HE1 TYR 47 1HE TYR 47 -2.481 -6.174 -17.765 401 HE2 TYR 47 2HE TYR 47 -0.916 -2.643 -15.951 402 HH TYR 47 HH TYR 47 -1.646 -2.870 -18.178 403 H VAL 48 H VAL 48 -0.338 -6.144 -11.060 404 HA VAL 48 HA VAL 48 1.801 -7.573 -9.996 405 HB VAL 48 HB VAL 48 0.001 -5.534 -8.679 406 HG11 VAL 48 1HG1 VAL 48 1.360 -6.721 -7.031 407 HG12 VAL 48 2HG1 VAL 48 1.920 -5.059 -7.226 408 HG13 VAL 48 3HG1 VAL 48 2.811 -6.387 -7.973 409 HG21 VAL 48 3HG2 VAL 48 1.757 -3.926 -9.394 410 HG22 VAL 48 1HG2 VAL 48 0.910 -4.687 -10.747 411 HG23 VAL 48 2HG2 VAL 48 2.515 -5.237 -10.296 412 H TYR 49 H TYR 49 -1.590 -7.367 -8.914 413 HA TYR 49 HA TYR 49 -1.182 -9.063 -6.729 414 HB2 TYR 49 2HB TYR 49 -3.685 -8.149 -8.135 415 HB3 TYR 49 1HB TYR 49 -3.751 -9.264 -6.777 416 HD1 TYR 49 1HD TYR 49 -1.281 -6.493 -6.911 417 HD2 TYR 49 2HD TYR 49 -5.056 -7.754 -5.391 418 HE1 TYR 49 1HE TYR 49 -1.296 -4.578 -5.384 419 HE2 TYR 49 2HE TYR 49 -5.074 -5.834 -3.851 420 HH TYR 49 HH TYR 49 -3.656 -4.221 -2.855 421 H SER 50 H SER 50 -2.042 -9.733 -10.061 422 HA SER 50 HA SER 50 -2.689 -12.456 -9.533 423 HB2 SER 50 2HB SER 50 -2.024 -11.100 -12.146 424 HB3 SER 50 1HB SER 50 -2.745 -12.707 -11.977 425 HG SER 50 HG SER 50 -3.803 -10.178 -11.388 426 H SER 51 H SER 51 0.267 -10.772 -10.029 427 HA SER 51 HA SER 51 1.695 -13.234 -10.632 428 HB2 SER 51 2HB SER 51 2.244 -11.101 -11.833 429 HB3 SER 51 1HB SER 51 2.748 -10.407 -10.296 430 HG SER 51 HG SER 51 4.552 -11.118 -11.208 431 H HIS 52 H HIS 52 0.586 -11.595 -7.988 432 HA HIS 52 HA HIS 52 2.607 -12.777 -6.190 433 HB2 HIS 52 2HB HIS 52 1.178 -10.101 -5.927 434 HB3 HIS 52 1HB HIS 52 2.039 -10.860 -4.611 435 HD1 HIS 52 1HD HIS 52 4.352 -10.084 -4.314 436 HD2 HIS 52 2HD HIS 52 3.018 -9.379 -8.186 437 HE1 HIS 52 1HE HIS 52 6.195 -8.759 -5.451 438 HE2 HIS 52 2HE HIS 52 5.199 -8.106 -7.685 439 H LEU 53 H LEU 53 0.131 -13.965 -7.140 440 HA LEU 53 HA LEU 53 -2.196 -13.381 -5.784 441 HB2 LEU 53 2HB LEU 53 -1.328 -16.046 -6.806 442 HB3 LEU 53 1HB LEU 53 -2.896 -15.688 -6.099 443 HG LEU 53 HG LEU 53 -1.816 -14.274 -8.526 444 HD11 LEU 53 1HD1 LEU 53 -3.308 -15.731 -9.810 445 HD12 LEU 53 2HD1 LEU 53 -3.692 -16.619 -8.336 446 HD13 LEU 53 3HD1 LEU 53 -2.052 -16.654 -8.986 447 HD21 LEU 53 3HD2 LEU 53 -4.558 -14.476 -7.292 448 HD22 LEU 53 1HD2 LEU 53 -4.214 -13.712 -8.842 449 HD23 LEU 53 2HD2 LEU 53 -3.541 -13.035 -7.363 450 H ASP 54 H ASP 54 0.017 -15.974 -4.757 451 HA ASP 54 HA ASP 54 -1.631 -16.705 -2.595 452 HB2 ASP 54 2HB ASP 54 0.215 -18.152 -3.521 453 HB3 ASP 54 1HB ASP 54 1.352 -17.117 -2.652 454 H GLU 55 H GLU 55 1.186 -14.611 -2.775 455 HA GLU 55 HA GLU 55 1.520 -13.760 -0.209 456 HB2 GLU 55 2HB GLU 55 2.939 -13.278 -2.069 457 HB3 GLU 55 1HB GLU 55 1.653 -12.397 -2.866 458 HG2 GLU 55 2HG GLU 55 1.750 -10.809 -0.927 459 HG3 GLU 55 1HG GLU 55 3.263 -11.617 -0.488 460 H ILE 56 H ILE 56 -0.479 -12.362 -2.766 461 HA ILE 56 HA ILE 56 -1.773 -10.377 -1.306 462 HB ILE 56 HB ILE 56 -2.876 -11.894 -3.698 463 HG12 ILE 56 2HG1 ILE 56 -0.746 -10.873 -4.264 464 HG13 ILE 56 1HG1 ILE 56 -2.055 -10.006 -5.049 465 HG21 ILE 56 1HG2 ILE 56 -3.699 -9.214 -2.599 466 HG22 ILE 56 2HG2 ILE 56 -4.671 -10.691 -2.604 467 HG23 ILE 56 3HG2 ILE 56 -4.244 -9.896 -4.127 468 HD11 ILE 56 3HD1 ILE 56 -0.366 -8.480 -4.223 469 HD12 ILE 56 1HD1 ILE 56 -0.561 -9.115 -2.589 470 HD13 ILE 56 2HD1 ILE 56 -1.884 -8.240 -3.359 471 H ARG 57 H ARG 57 -2.777 -13.744 -1.905 472 HA ARG 57 HA ARG 57 -5.189 -13.561 -0.449 473 HB2 ARG 57 2HB ARG 57 -3.491 -15.996 -0.959 474 HB3 ARG 57 1HB ARG 57 -5.120 -16.030 -0.305 475 HG2 ARG 57 2HG ARG 57 -5.949 -15.004 -2.371 476 HG3 ARG 57 1HG ARG 57 -4.309 -15.032 -3.021 477 HD2 ARG 57 2HD ARG 57 -5.957 -17.413 -2.194 478 HD3 ARG 57 1HD ARG 57 -5.577 -16.931 -3.843 479 HE ARG 57 HE ARG 57 -3.562 -17.794 -1.877 480 HH11 ARG 57 1HH1 ARG 57 -4.808 -17.798 -5.200 481 HH12 ARG 57 2HH1 ARG 57 -3.614 -18.849 -5.789 482 HH21 ARG 57 1HH2 ARG 57 -1.880 -19.228 -2.724 483 HH22 ARG 57 2HH2 ARG 57 -1.934 -19.680 -4.358 484 H LYS 58 H LYS 58 -1.913 -14.230 0.607 485 HA LYS 58 HA LYS 58 -2.382 -15.209 3.184 486 HB2 LYS 58 2HB LYS 58 -0.170 -13.295 2.401 487 HB3 LYS 58 1HB LYS 58 -0.205 -14.281 3.844 488 HG2 LYS 58 2HG LYS 58 -0.041 -16.298 2.442 489 HG3 LYS 58 1HG LYS 58 0.021 -15.267 1.009 490 HD2 LYS 58 2HD LYS 58 2.016 -14.133 1.964 491 HD3 LYS 58 1HD LYS 58 1.997 -15.292 3.285 492 HE2 LYS 58 2HE LYS 58 2.397 -15.914 0.356 493 HE3 LYS 58 1HE LYS 58 3.634 -15.912 1.606 494 HZ1 LYS 58 3HZ LYS 58 2.085 -17.720 2.678 495 HZ2 LYS 58 1HZ LYS 58 3.087 -18.120 1.355 496 HZ3 LYS 58 2HZ LYS 58 1.493 -17.808 1.074 497 H ASN 59 H ASN 59 -2.108 -11.881 2.037 498 HA ASN 59 HA ASN 59 -3.430 -11.039 4.493 499 HB2 ASN 59 2HB ASN 59 -1.052 -9.650 3.232 500 HB3 ASN 59 1HB ASN 59 -2.044 -8.939 4.500 501 HD21 ASN 59 1HD2 ASN 59 0.289 -11.342 3.722 502 HD22 ASN 59 2HD2 ASN 59 0.748 -11.752 5.330 503 H LYS 60 H LYS 60 -5.127 -11.400 2.937 504 HA LYS 60 HA LYS 60 -5.434 -9.714 0.719 505 HB2 LYS 60 2HB LYS 60 -7.802 -10.473 0.682 506 HB3 LYS 60 1HB LYS 60 -6.615 -11.761 0.649 507 HG2 LYS 60 2HG LYS 60 -7.013 -12.212 3.016 508 HG3 LYS 60 1HG LYS 60 -8.174 -10.884 3.080 509 HD2 LYS 60 2HD LYS 60 -8.458 -13.250 1.225 510 HD3 LYS 60 1HD LYS 60 -9.168 -13.200 2.837 511 HE2 LYS 60 2HE LYS 60 -9.718 -11.140 0.699 512 HE3 LYS 60 1HE LYS 60 -10.714 -12.570 0.942 513 HZ1 LYS 60 3HZ LYS 60 -11.682 -10.698 2.074 514 HZ2 LYS 60 1HZ LYS 60 -10.291 -10.403 2.994 515 HZ3 LYS 60 2HZ LYS 60 -11.162 -11.824 3.180 516 H GLU 61 H GLU 61 -6.394 -9.299 4.080 517 HA GLU 61 HA GLU 61 -8.175 -7.207 3.584 518 HB2 GLU 61 2HB GLU 61 -6.521 -7.800 6.037 519 HB3 GLU 61 1HB GLU 61 -7.824 -6.641 5.934 520 HG2 GLU 61 2HG GLU 61 -8.051 -9.623 5.589 521 HG3 GLU 61 1HG GLU 61 -8.613 -8.676 6.966 522 H PHE 62 H PHE 62 -4.738 -7.283 4.382 523 HA PHE 62 HA PHE 62 -4.350 -4.508 4.416 524 HB2 PHE 62 2HB PHE 62 -2.683 -5.953 5.379 525 HB3 PHE 62 1HB PHE 62 -2.416 -6.757 3.836 526 HD1 PHE 62 1HD PHE 62 -2.125 -3.477 5.519 527 HD2 PHE 62 2HD PHE 62 -0.769 -5.991 2.378 528 HE1 PHE 62 1HE PHE 62 -0.366 -1.845 4.980 529 HE2 PHE 62 2HE PHE 62 0.996 -4.376 1.832 530 HZ PHE 62 HZ PHE 62 1.200 -2.294 3.136 531 H TYR 63 H TYR 63 -3.794 -6.861 1.796 532 HA TYR 63 HA TYR 63 -2.942 -4.886 0.008 533 HB2 TYR 63 2HB TYR 63 -3.746 -7.739 -0.437 534 HB3 TYR 63 1HB TYR 63 -3.253 -6.686 -1.759 535 HD1 TYR 63 2HD TYR 63 -0.982 -5.295 -1.054 536 HD2 TYR 63 1HD TYR 63 -2.075 -9.164 0.309 537 HE1 TYR 63 2HE TYR 63 1.392 -5.795 -0.614 538 HE2 TYR 63 1HE TYR 63 0.286 -9.688 0.739 539 HH TYR 63 HH TYR 63 2.536 -8.783 -0.288 540 H ASP 64 H ASP 64 -6.137 -6.101 0.697 541 HA ASP 64 HA ASP 64 -7.209 -4.875 -1.665 542 HB2 ASP 64 2HB ASP 64 -8.356 -6.814 -0.737 543 HB3 ASP 64 1HB ASP 64 -8.627 -5.955 0.775 544 H MET 65 H MET 65 -6.999 -3.996 1.769 545 HA MET 65 HA MET 65 -8.491 -1.648 1.480 546 HB2 MET 65 2HB MET 65 -6.453 -2.414 3.555 547 HB3 MET 65 1HB MET 65 -7.302 -0.871 3.601 548 HG2 MET 65 2HG MET 65 -9.439 -2.184 3.557 549 HG3 MET 65 1HG MET 65 -8.443 -3.613 3.738 550 HE1 MET 65 3HE MET 65 -7.276 -4.387 5.955 551 HE2 MET 65 1HE MET 65 -6.972 -3.313 7.319 552 HE3 MET 65 2HE MET 65 -6.222 -2.991 5.755 553 H ILE 66 H ILE 66 -5.003 -2.206 1.160 554 HA ILE 66 HA ILE 66 -4.518 0.530 0.733 555 HB ILE 66 HB ILE 66 -2.359 -0.056 -0.322 556 HG12 ILE 66 2HG1 ILE 66 -2.977 -2.913 0.311 557 HG13 ILE 66 1HG1 ILE 66 -3.216 -2.299 -1.315 558 HG21 ILE 66 1HG2 ILE 66 -2.929 -1.486 2.259 559 HG22 ILE 66 2HG2 ILE 66 -2.478 0.209 2.065 560 HG23 ILE 66 3HG2 ILE 66 -1.328 -1.064 1.656 561 HD11 ILE 66 3HD1 ILE 66 -0.638 -2.493 0.238 562 HD12 ILE 66 1HD1 ILE 66 -0.804 -1.642 -1.302 563 HD13 ILE 66 2HD1 ILE 66 -1.100 -3.369 -1.232 564 H ALA 67 H ALA 67 -5.402 -2.035 -1.508 565 HA ALA 67 HA ALA 67 -4.963 -0.685 -3.917 566 HB1 ALA 67 1HB ALA 67 -5.529 -3.071 -3.787 567 HB2 ALA 67 2HB ALA 67 -6.591 -2.215 -4.905 568 HB3 ALA 67 3HB ALA 67 -7.169 -2.650 -3.295 569 H GLU 68 H GLU 68 -7.577 -0.444 -1.668 570 HA GLU 68 HA GLU 68 -9.350 1.117 -3.260 571 HB2 GLU 68 2HB GLU 68 -10.014 -0.173 -1.237 572 HB3 GLU 68 1HB GLU 68 -9.060 0.915 -0.251 573 HG2 GLU 68 2HG GLU 68 -11.385 1.470 -0.064 574 HG3 GLU 68 1HG GLU 68 -10.528 2.761 -0.903 575 H ILE 69 H ILE 69 -7.130 1.899 -0.634 576 HA ILE 69 HA ILE 69 -7.340 4.693 -0.608 577 HB ILE 69 HB ILE 69 -4.961 2.986 0.176 578 HG12 ILE 69 2HG1 ILE 69 -7.228 3.969 1.905 579 HG13 ILE 69 1HG1 ILE 69 -7.171 2.359 1.199 580 HG21 ILE 69 1HG2 ILE 69 -5.753 5.762 1.081 581 HG22 ILE 69 2HG2 ILE 69 -4.396 5.371 0.025 582 HG23 ILE 69 3HG2 ILE 69 -4.395 4.824 1.702 583 HD11 ILE 69 3HD1 ILE 69 -6.437 2.272 3.483 584 HD12 ILE 69 1HD1 ILE 69 -5.217 3.518 3.174 585 HD13 ILE 69 2HD1 ILE 69 -5.096 1.932 2.410 586 H LEU 70 H LEU 70 -5.025 2.576 -2.270 587 HA LEU 70 HA LEU 70 -3.292 4.430 -3.354 588 HB2 LEU 70 2HB LEU 70 -4.228 1.817 -4.538 589 HB3 LEU 70 1HB LEU 70 -2.888 2.753 -5.152 590 HG LEU 70 HG LEU 70 -2.966 1.631 -2.352 591 HD11 LEU 70 1HD1 LEU 70 -1.419 -0.074 -3.174 592 HD12 LEU 70 2HD1 LEU 70 -1.653 0.516 -4.821 593 HD13 LEU 70 3HD1 LEU 70 -2.998 -0.201 -3.941 594 HD21 LEU 70 3HD2 LEU 70 -1.489 3.540 -2.638 595 HD22 LEU 70 1HD2 LEU 70 -0.733 2.763 -4.028 596 HD23 LEU 70 2HD2 LEU 70 -0.561 2.056 -2.424 597 H GLN 71 H GLN 71 -6.237 3.161 -4.842 598 HA GLN 71 HA GLN 71 -6.002 4.702 -7.205 599 HB2 GLN 71 2HB GLN 71 -8.457 3.520 -5.918 600 HB3 GLN 71 1HB GLN 71 -8.360 4.101 -7.578 601 HG2 GLN 71 2HG GLN 71 -6.736 2.382 -8.099 602 HG3 GLN 71 1HG GLN 71 -6.739 1.843 -6.426 603 HE21 GLN 71 1HE2 GLN 71 -8.450 0.717 -5.660 604 HE22 GLN 71 2HE2 GLN 71 -9.662 0.000 -6.661 605 H ARG 72 H ARG 72 -7.728 5.218 -4.153 606 HA ARG 72 HA ARG 72 -9.217 7.427 -4.774 607 HB2 ARG 72 2HB ARG 72 -9.631 5.981 -2.928 608 HB3 ARG 72 1HB ARG 72 -8.035 6.276 -2.283 609 HG2 ARG 72 2HG ARG 72 -8.647 8.537 -1.740 610 HG3 ARG 72 1HG ARG 72 -10.242 8.281 -2.462 611 HD2 ARG 72 2HD ARG 72 -9.137 6.621 -0.214 612 HD3 ARG 72 1HD ARG 72 -10.145 8.048 -0.006 613 HE ARG 72 HE ARG 72 -11.610 6.593 -1.674 614 HH11 ARG 72 1HH1 ARG 72 -10.093 5.675 1.453 615 HH12 ARG 72 2HH1 ARG 72 -11.288 4.535 1.815 616 HH21 ARG 72 1HH2 ARG 72 -13.193 5.016 -1.132 617 HH22 ARG 72 2HH2 ARG 72 -13.086 4.119 0.313 618 H TYR 73 H TYR 73 -5.985 7.171 -3.273 619 HA TYR 73 HA TYR 73 -5.864 10.047 -3.354 620 HB2 TYR 73 2HB TYR 73 -4.159 8.068 -1.877 621 HB3 TYR 73 1HB TYR 73 -3.720 9.770 -1.999 622 HD1 TYR 73 1HD TYR 73 -5.065 11.488 -0.892 623 HD2 TYR 73 2HD TYR 73 -6.059 7.368 -0.523 624 HE1 TYR 73 1HE TYR 73 -6.588 12.020 0.994 625 HE2 TYR 73 2HE TYR 73 -7.568 7.906 1.354 626 HH TYR 73 HH TYR 73 -7.954 9.598 2.962 627 H TYR 74 H TYR 74 -4.677 7.525 -5.333 628 HA TYR 74 HA TYR 74 -2.388 8.902 -6.265 629 HB2 TYR 74 2HB TYR 74 -2.064 7.051 -7.564 630 HB3 TYR 74 1HB TYR 74 -3.531 6.405 -6.859 631 HD1 TYR 74 2HD TYR 74 -5.671 6.555 -8.151 632 HD2 TYR 74 1HD TYR 74 -1.969 7.740 -9.854 633 HE1 TYR 74 2HE TYR 74 -6.679 6.463 -10.385 634 HE2 TYR 74 1HE TYR 74 -2.969 7.658 -12.104 635 HH TYR 74 HH TYR 74 -4.938 6.477 -13.230 636 H LYS 75 H LYS 75 -5.779 9.132 -7.037 637 HA LYS 75 HA LYS 75 -5.437 10.936 -9.231 638 HB2 LYS 75 2HB LYS 75 -7.789 10.388 -7.436 639 HB3 LYS 75 1HB LYS 75 -7.839 11.599 -8.697 640 HG2 LYS 75 2HG LYS 75 -7.387 8.649 -9.087 641 HG3 LYS 75 1HG LYS 75 -8.889 9.524 -9.396 642 HD2 LYS 75 2HD LYS 75 -7.572 10.944 -11.029 643 HD3 LYS 75 1HD LYS 75 -6.259 9.783 -10.833 644 HE2 LYS 75 2HE LYS 75 -7.821 7.981 -11.533 645 HE3 LYS 75 1HE LYS 75 -9.032 9.218 -11.867 646 HZ1 LYS 75 3HZ LYS 75 -7.368 10.213 -13.431 647 HZ2 LYS 75 1HZ LYS 75 -7.936 8.685 -13.888 648 HZ3 LYS 75 2HZ LYS 75 -6.417 8.842 -13.186 649 H LYS 76 H LYS 76 -5.264 11.328 -5.834 650 HA LYS 76 HA LYS 76 -5.895 14.159 -6.106 651 HB2 LYS 76 2HB LYS 76 -5.707 12.469 -3.622 652 HB3 LYS 76 1HB LYS 76 -6.063 14.193 -3.634 653 HG2 LYS 76 2HG LYS 76 -8.041 13.742 -5.042 654 HG3 LYS 76 1HG LYS 76 -7.706 12.020 -4.914 655 HD2 LYS 76 2HD LYS 76 -8.060 12.104 -2.509 656 HD3 LYS 76 1HD LYS 76 -8.284 13.857 -2.590 657 HE2 LYS 76 2HE LYS 76 -10.180 13.498 -4.126 658 HE3 LYS 76 1HE LYS 76 -10.011 11.760 -3.900 659 HZ1 LYS 76 3HZ LYS 76 -11.751 12.861 -2.571 660 HZ2 LYS 76 1HZ LYS 76 -10.588 13.684 -1.707 661 HZ3 LYS 76 2HZ LYS 76 -10.705 11.975 -1.619 662 H ILE 77 H ILE 77 -3.329 12.163 -4.623 663 HA ILE 77 HA ILE 77 -1.758 14.635 -4.644 664 HB ILE 77 HB ILE 77 -0.336 13.626 -2.851 665 HG12 ILE 77 2HG1 ILE 77 -2.563 11.569 -2.722 666 HG13 ILE 77 1HG1 ILE 77 -0.908 11.252 -3.226 667 HG21 ILE 77 1HG2 ILE 77 -1.945 14.064 -1.042 668 HG22 ILE 77 2HG2 ILE 77 -3.258 14.010 -2.219 669 HG23 ILE 77 3HG2 ILE 77 -2.033 15.272 -2.325 670 HD11 ILE 77 3HD1 ILE 77 -1.304 10.495 -0.950 671 HD12 ILE 77 1HD1 ILE 77 -1.795 12.121 -0.480 672 HD13 ILE 77 2HD1 ILE 77 -0.131 11.811 -0.972 673 H GLY 78 H GLY 78 -1.763 11.321 -5.611 674 HA2 GLY 78 2HA GLY 78 -0.486 11.015 -7.740 675 HA3 GLY 78 1HA GLY 78 0.858 11.771 -6.880 676 H ILE 79 H ILE 79 0.657 9.088 -8.062 677 HA ILE 79 HA ILE 79 0.187 7.216 -6.014 678 HB ILE 79 HB ILE 79 0.029 6.523 -8.350 679 HG12 ILE 79 2HG1 ILE 79 1.362 4.406 -8.282 680 HG13 ILE 79 1HG1 ILE 79 2.218 5.038 -6.882 681 HG21 ILE 79 1HG2 ILE 79 1.991 6.186 -9.772 682 HG22 ILE 79 2HG2 ILE 79 2.998 6.949 -8.541 683 HG23 ILE 79 3HG2 ILE 79 1.744 7.883 -9.355 684 HD11 ILE 79 3HD1 ILE 79 -0.740 4.487 -7.024 685 HD12 ILE 79 1HD1 ILE 79 0.139 5.076 -5.613 686 HD13 ILE 79 2HD1 ILE 79 0.466 3.464 -6.248 687 H GLU 80 H GLU 80 3.087 8.894 -7.023 688 HA GLU 80 HA GLU 80 5.061 7.410 -5.689 689 HB2 GLU 80 2HB GLU 80 5.090 10.408 -5.793 690 HB3 GLU 80 1HB GLU 80 6.458 9.327 -5.805 691 HG2 GLU 80 2HG GLU 80 6.408 10.045 -7.993 692 HG3 GLU 80 1HG GLU 80 5.409 8.595 -8.117 693 H ASN 81 H ASN 81 3.138 10.077 -4.678 694 HA ASN 81 HA ASN 81 4.160 10.416 -2.075 695 HB2 ASN 81 2HB ASN 81 1.458 11.158 -3.190 696 HB3 ASN 81 1HB ASN 81 2.053 11.698 -1.629 697 HD21 ASN 81 1HD2 ASN 81 3.780 13.196 -1.581 698 HD22 ASN 81 2HD2 ASN 81 4.155 14.134 -2.986 699 H VAL 82 H VAL 82 1.358 8.628 -3.276 700 HA VAL 82 HA VAL 82 0.520 7.755 -0.712 701 HB VAL 82 HB VAL 82 -0.030 6.328 -3.334 702 HG11 VAL 82 1HG1 VAL 82 -0.643 5.047 -1.365 703 HG12 VAL 82 2HG1 VAL 82 -2.097 5.607 -2.203 704 HG13 VAL 82 3HG1 VAL 82 -1.558 6.416 -0.736 705 HG21 VAL 82 3HG2 VAL 82 -0.631 8.682 -3.548 706 HG22 VAL 82 1HG2 VAL 82 -1.581 8.580 -2.068 707 HG23 VAL 82 2HG2 VAL 82 -2.072 7.668 -3.494 708 H ASN 83 H ASN 83 2.625 6.403 -3.167 709 HA ASN 83 HA ASN 83 3.204 3.873 -2.233 710 HB2 ASN 83 2HB ASN 83 4.008 4.871 -4.372 711 HB3 ASN 83 1HB ASN 83 5.074 5.926 -3.479 712 HD21 ASN 83 1HD2 ASN 83 5.673 4.060 -5.622 713 HD22 ASN 83 2HD2 ASN 83 6.809 2.938 -4.983 714 H GLN 84 H GLN 84 4.768 6.916 -1.413 715 HA GLN 84 HA GLN 84 6.602 5.894 0.499 716 HB2 GLN 84 2HB GLN 84 6.483 8.179 -0.790 717 HB3 GLN 84 1HB GLN 84 5.505 8.676 0.581 718 HG2 GLN 84 2HG GLN 84 8.360 7.715 0.693 719 HG3 GLN 84 1HG GLN 84 7.855 9.398 0.796 720 HE21 GLN 84 1HE2 GLN 84 8.279 6.438 2.416 721 HE22 GLN 84 2HE2 GLN 84 7.854 6.968 4.011 722 H LEU 85 H LEU 85 3.397 7.395 0.763 723 HA LEU 85 HA LEU 85 3.297 7.473 3.559 724 HB2 LEU 85 2HB LEU 85 1.030 7.392 1.579 725 HB3 LEU 85 1HB LEU 85 0.834 7.719 3.289 726 HG LEU 85 HG LEU 85 2.374 9.427 1.329 727 HD11 LEU 85 1HD1 LEU 85 -0.255 9.906 2.711 728 HD12 LEU 85 2HD1 LEU 85 -0.017 9.573 0.997 729 HD13 LEU 85 3HD1 LEU 85 0.610 11.063 1.699 730 HD21 LEU 85 3HD2 LEU 85 1.826 9.834 4.273 731 HD22 LEU 85 1HD2 LEU 85 2.526 11.036 3.190 732 HD23 LEU 85 2HD2 LEU 85 3.399 9.547 3.521 733 H ILE 86 H ILE 86 2.142 4.964 1.326 734 HA ILE 86 HA ILE 86 1.006 3.337 3.332 735 HB ILE 86 HB ILE 86 2.117 2.536 0.621 736 HG12 ILE 86 2HG1 ILE 86 0.267 4.110 0.438 737 HG13 ILE 86 1HG1 ILE 86 -0.239 2.521 -0.111 738 HG21 ILE 86 1HG2 ILE 86 0.780 0.481 0.811 739 HG22 ILE 86 2HG2 ILE 86 0.344 0.927 2.461 740 HG23 ILE 86 3HG2 ILE 86 2.024 0.576 2.059 741 HD11 ILE 86 3HD1 ILE 86 -1.992 3.576 1.180 742 HD12 ILE 86 1HD1 ILE 86 -0.899 3.792 2.548 743 HD13 ILE 86 2HD1 ILE 86 -1.374 2.172 2.052 744 H LEU 87 H LEU 87 4.268 3.525 2.045 745 HA LEU 87 HA LEU 87 5.347 1.329 3.435 746 HB2 LEU 87 2HB LEU 87 6.599 3.910 2.529 747 HB3 LEU 87 1HB LEU 87 7.532 2.583 3.178 748 HG LEU 87 HG LEU 87 5.884 2.537 0.659 749 HD11 LEU 87 1HD1 LEU 87 7.917 3.816 0.455 750 HD12 LEU 87 2HD1 LEU 87 8.046 2.301 -0.442 751 HD13 LEU 87 3HD1 LEU 87 8.856 2.478 1.118 752 HD21 LEU 87 3HD2 LEU 87 6.908 0.322 0.333 753 HD22 LEU 87 1HD2 LEU 87 5.827 0.369 1.728 754 HD23 LEU 87 2HD2 LEU 87 7.575 0.422 1.962 755 H THR 88 H THR 88 5.052 4.694 4.283 756 HA THR 88 HA THR 88 6.257 4.552 6.814 757 HB THR 88 HB THR 88 4.106 6.497 5.917 758 HG1 THR 88 1HG THR 88 5.686 6.589 4.359 759 HG21 THR 88 3HG2 THR 88 4.723 6.632 8.303 760 HG22 THR 88 1HG2 THR 88 5.282 8.054 7.423 761 HG23 THR 88 2HG2 THR 88 6.424 6.779 7.853 762 H THR 89 H THR 89 3.019 3.897 5.673 763 HA THR 89 HA THR 89 1.555 3.909 8.034 764 HB THR 89 HB THR 89 1.152 2.146 5.606 765 HG1 THR 89 1HG THR 89 1.247 4.535 5.282 766 HG21 THR 89 3HG2 THR 89 -1.201 2.162 6.265 767 HG22 THR 89 1HG2 THR 89 -0.800 3.106 7.699 768 HG23 THR 89 2HG2 THR 89 -0.196 1.459 7.534 769 H ILE 90 H ILE 90 3.350 1.261 6.474 770 HA ILE 90 HA ILE 90 2.603 -0.556 8.585 771 HB ILE 90 HB ILE 90 4.010 -2.225 7.421 772 HG12 ILE 90 2HG1 ILE 90 4.423 -0.016 5.387 773 HG13 ILE 90 1HG1 ILE 90 5.661 -0.656 6.459 774 HG21 ILE 90 1HG2 ILE 90 2.000 -0.769 5.722 775 HG22 ILE 90 2HG2 ILE 90 1.654 -2.019 6.916 776 HG23 ILE 90 3HG2 ILE 90 2.551 -2.423 5.449 777 HD11 ILE 90 3HD1 ILE 90 4.222 -2.179 4.308 778 HD12 ILE 90 1HD1 ILE 90 5.473 -2.828 5.368 779 HD13 ILE 90 2HD1 ILE 90 5.868 -1.552 4.213 780 H LYS 91 H LYS 91 4.989 1.716 8.188 781 HA LYS 91 HA LYS 91 6.850 0.419 9.973 782 HB2 LYS 91 2HB LYS 91 6.743 3.256 8.931 783 HB3 LYS 91 1HB LYS 91 8.021 2.631 9.954 784 HG2 LYS 91 2HG LYS 91 7.342 1.633 7.191 785 HG3 LYS 91 1HG LYS 91 8.654 2.739 7.582 786 HD2 LYS 91 2HD LYS 91 8.388 -0.100 8.586 787 HD3 LYS 91 1HD LYS 91 9.441 0.428 7.281 788 HE2 LYS 91 2HE LYS 91 10.582 1.945 8.915 789 HE3 LYS 91 1HE LYS 91 9.602 1.220 10.188 790 HZ1 LYS 91 3HZ LYS 91 11.759 0.175 10.079 791 HZ2 LYS 91 1HZ LYS 91 11.551 -0.183 8.456 792 HZ3 LYS 91 2HZ LYS 91 10.601 -0.952 9.600 793 H LEU 92 H LEU 92 5.929 0.075 11.924 794 HA LEU 92 HA LEU 92 4.415 2.120 13.257 795 HB2 LEU 92 2HB LEU 92 4.135 -0.385 13.657 796 HB3 LEU 92 1HB LEU 92 5.708 -0.391 14.406 797 HG LEU 92 HG LEU 92 3.747 -0.486 15.985 798 HD11 LEU 92 1HD1 LEU 92 4.635 1.094 17.618 799 HD12 LEU 92 2HD1 LEU 92 5.609 1.844 16.352 800 HD13 LEU 92 3HD1 LEU 92 5.915 0.174 16.825 801 HD21 LEU 92 3HD2 LEU 92 3.396 2.388 15.170 802 HD22 LEU 92 1HD2 LEU 92 2.541 1.567 16.472 803 HD23 LEU 92 2HD2 LEU 92 2.290 1.073 14.793 804 H GLU 93 H GLU 93 7.603 0.750 13.327 805 HA GLU 93 HA GLU 93 9.606 1.381 14.059 806 HB2 GLU 93 2HB GLU 93 9.429 2.698 12.068 807 HB3 GLU 93 1HB GLU 93 8.617 3.986 12.938 808 HG2 GLU 93 2HG GLU 93 10.643 4.375 14.250 809 HG3 GLU 93 1HG GLU 93 11.464 3.098 13.359 810 H HIS 94 H HIS 94 9.890 1.149 16.103 811 HA HIS 94 HA HIS 94 8.945 3.027 18.048 812 HB2 HIS 94 2HB HIS 94 10.953 0.770 18.267 813 HB3 HIS 94 1HB HIS 94 10.438 1.765 19.625 814 HD1 HIS 94 1HD HIS 94 9.800 -1.424 18.318 815 HD2 HIS 94 2HD HIS 94 7.365 1.646 19.684 816 HE1 HIS 94 1HE HIS 94 7.626 -2.505 18.910 817 HE2 HIS 94 2HE HIS 94 6.376 -0.666 20.098 818 H HIS 95 H HIS 95 10.438 4.178 19.497 819 HA HIS 95 HA HIS 95 12.110 5.493 20.045 820 HB2 HIS 95 2HB HIS 95 13.750 3.844 19.307 821 HB3 HIS 95 1HB HIS 95 13.611 4.396 17.648 822 HD1 HIS 95 1HD HIS 95 14.662 5.895 21.024 823 HD2 HIS 95 2HD HIS 95 15.637 6.055 16.988 824 HE1 HIS 95 1HE HIS 95 16.694 7.326 20.880 825 HE2 HIS 95 2HE HIS 95 17.133 7.577 18.433 826 H HIS 96 H HIS 96 10.463 5.776 17.110 827 HA HIS 96 HA HIS 96 11.286 8.563 16.963 828 HB2 HIS 96 2HB HIS 96 9.910 8.882 14.988 829 HB3 HIS 96 1HB HIS 96 10.758 7.373 14.763 830 HD1 HIS 96 1HD HIS 96 9.180 6.235 13.188 831 HD2 HIS 96 2HD HIS 96 7.160 7.762 16.477 832 HE1 HIS 96 1HE HIS 96 6.811 5.477 12.949 833 HE2 HIS 96 2HE HIS 96 5.588 6.462 14.892 834 H HIS 97 H HIS 97 9.609 10.246 17.098 835 HA HIS 97 HA HIS 97 8.151 9.672 19.477 836 HB2 HIS 97 2HB HIS 97 8.644 12.200 17.991 837 HB3 HIS 97 1HB HIS 97 7.360 12.125 19.190 838 HD1 HIS 97 1HD HIS 97 8.012 12.153 21.609 839 HD2 HIS 97 2HD HIS 97 11.266 11.887 19.040 840 HE1 HIS 97 1HE HIS 97 10.040 12.530 23.039 841 HE2 HIS 97 2HE HIS 97 11.854 12.829 21.351 842 H HIS 98 H HIS 98 6.534 8.407 19.140 843 HA HIS 98 HA HIS 98 4.443 9.275 17.290 844 HB2 HIS 98 2HB HIS 98 3.132 7.288 18.007 845 HB3 HIS 98 1HB HIS 98 4.740 6.824 17.501 846 HD1 HIS 98 1HD HIS 98 2.386 6.619 20.374 847 HD2 HIS 98 2HD HIS 98 6.419 5.910 19.644 848 HE1 HIS 98 1HE HIS 98 3.194 5.294 22.314 849 HE2 HIS 98 2HE HIS 98 5.527 4.637 21.706 850 H HIS 99 H HIS 99 5.548 9.708 20.309 851 HA HIS 99 HA HIS 99 3.951 11.867 20.926 852 HB2 HIS 99 2HB HIS 99 2.303 10.120 21.678 853 HB3 HIS 99 1HB HIS 99 3.549 9.424 22.712 854 HD1 HIS 99 1HD HIS 99 3.609 10.299 25.048 855 HD2 HIS 99 2HD HIS 99 1.616 12.877 22.477 856 HE1 HIS 99 1HE HIS 99 2.760 12.165 26.485 857 HE2 HIS 99 2HE HIS 99 1.829 13.821 24.863 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -7.801 14.959 1.441 2 H2 MET 1 2HT MET 1 -8.220 16.271 0.512 3 H3 MET 1 3HT MET 1 -7.797 16.504 2.134 4 HA MET 1 HA MET 1 -6.077 15.618 -0.106 5 HB2 MET 1 2HB MET 1 -4.813 17.673 0.263 6 HB3 MET 1 1HB MET 1 -6.485 18.039 -0.106 7 HG2 MET 1 2HG MET 1 -5.284 18.047 2.652 8 HG3 MET 1 1HG MET 1 -5.528 19.478 1.657 9 HE1 MET 1 2HE MET 1 -6.854 20.702 3.481 10 HE2 MET 1 3HE MET 1 -6.628 19.352 4.593 11 HE3 MET 1 1HE MET 1 -8.237 20.029 4.343 12 H SER 2 H SER 2 -6.621 15.339 3.289 13 HA SER 2 HA SER 2 -3.831 14.946 3.874 14 HB2 SER 2 2HB SER 2 -6.315 14.636 5.573 15 HB3 SER 2 1HB SER 2 -4.655 14.777 6.154 16 HG SER 2 HG SER 2 -6.132 16.724 6.080 17 H ILE 3 H ILE 3 -3.415 12.774 5.073 18 HA ILE 3 HA ILE 3 -4.791 10.734 3.506 19 HB ILE 3 HB ILE 3 -2.312 10.892 3.273 20 HG12 ILE 3 2HG1 ILE 3 -1.828 8.457 3.571 21 HG13 ILE 3 1HG1 ILE 3 -3.353 8.308 4.430 22 HG21 ILE 3 1HG2 ILE 3 -2.246 9.996 6.142 23 HG22 ILE 3 2HG2 ILE 3 -1.669 11.533 5.500 24 HG23 ILE 3 3HG2 ILE 3 -0.853 10.032 5.064 25 HD11 ILE 3 3HD1 ILE 3 -3.027 9.157 1.561 26 HD12 ILE 3 1HD1 ILE 3 -4.559 8.968 2.414 27 HD13 ILE 3 2HD1 ILE 3 -3.532 7.566 2.123 28 H LEU 4 H LEU 4 -4.286 11.843 6.732 29 HA LEU 4 HA LEU 4 -5.217 9.431 8.015 30 HB2 LEU 4 2HB LEU 4 -4.679 12.200 9.079 31 HB3 LEU 4 1HB LEU 4 -5.201 10.866 10.079 32 HG LEU 4 HG LEU 4 -2.599 10.965 8.538 33 HD11 LEU 4 1HD1 LEU 4 -3.169 11.291 11.481 34 HD12 LEU 4 2HD1 LEU 4 -2.644 12.565 10.380 35 HD13 LEU 4 3HD1 LEU 4 -1.571 11.215 10.744 36 HD21 LEU 4 3HD2 LEU 4 -3.632 8.984 10.568 37 HD22 LEU 4 1HD2 LEU 4 -2.025 8.976 9.845 38 HD23 LEU 4 2HD2 LEU 4 -3.446 8.681 8.842 39 H GLU 5 H GLU 5 -6.881 11.213 6.112 40 HA GLU 5 HA GLU 5 -9.159 11.694 7.870 41 HB2 GLU 5 2HB GLU 5 -10.144 12.929 5.972 42 HB3 GLU 5 1HB GLU 5 -8.563 13.543 6.436 43 HG2 GLU 5 2HG GLU 5 -7.530 12.473 4.585 44 HG3 GLU 5 1HG GLU 5 -9.049 11.693 4.142 45 H ASP 6 H ASP 6 -7.986 9.147 6.283 46 HA ASP 6 HA ASP 6 -10.608 8.345 5.272 47 HB2 ASP 6 2HB ASP 6 -8.637 8.388 3.682 48 HB3 ASP 6 1HB ASP 6 -8.010 7.007 4.586 49 HA PRO 7 HA PRO 7 -10.758 5.534 8.715 50 HB2 PRO 7 2HB PRO 7 -12.664 3.954 7.135 51 HB3 PRO 7 1HB PRO 7 -12.904 4.779 8.676 52 HG2 PRO 7 2HG PRO 7 -14.004 5.665 6.375 53 HG3 PRO 7 1HG PRO 7 -13.505 6.757 7.673 54 HD2 PRO 7 2HD PRO 7 -12.161 6.146 5.085 55 HD3 PRO 7 1HD PRO 7 -12.276 7.675 5.987 56 H GLU 8 H GLU 8 -10.269 4.347 5.388 57 HA GLU 8 HA GLU 8 -9.704 1.689 6.305 58 HB2 GLU 8 2HB GLU 8 -9.107 2.922 3.605 59 HB3 GLU 8 1HB GLU 8 -9.113 1.207 3.989 60 HG2 GLU 8 2HG GLU 8 -11.495 3.053 3.993 61 HG3 GLU 8 1HG GLU 8 -11.118 1.831 2.781 62 H PHE 9 H PHE 9 -7.956 4.553 5.577 63 HA PHE 9 HA PHE 9 -5.346 3.404 5.525 64 HB2 PHE 9 2HB PHE 9 -5.861 5.598 4.503 65 HB3 PHE 9 1HB PHE 9 -6.160 6.258 6.105 66 HD1 PHE 9 2HD PHE 9 -3.551 4.787 3.940 67 HD2 PHE 9 1HD PHE 9 -4.399 7.061 7.435 68 HE1 PHE 9 2HE PHE 9 -1.172 5.364 4.142 69 HE2 PHE 9 1HE PHE 9 -2.016 7.635 7.641 70 HZ PHE 9 HZ PHE 9 -0.408 6.788 5.996 71 H VAL 10 H VAL 10 -7.253 4.957 8.043 72 HA VAL 10 HA VAL 10 -5.183 4.734 9.939 73 HB VAL 10 HB VAL 10 -7.107 6.329 10.238 74 HG11 VAL 10 1HG1 VAL 10 -8.923 4.926 9.603 75 HG12 VAL 10 2HG1 VAL 10 -9.178 5.609 11.211 76 HG13 VAL 10 3HG1 VAL 10 -8.677 3.924 11.034 77 HG21 VAL 10 3HG2 VAL 10 -5.619 5.837 12.104 78 HG22 VAL 10 1HG2 VAL 10 -6.627 4.465 12.559 79 HG23 VAL 10 2HG2 VAL 10 -7.267 6.106 12.675 80 H LYS 11 H LYS 11 -7.717 2.532 8.960 81 HA LYS 11 HA LYS 11 -7.391 0.587 10.959 82 HB2 LYS 11 2HB LYS 11 -8.112 0.266 8.052 83 HB3 LYS 11 1HB LYS 11 -8.183 -1.034 9.229 84 HG2 LYS 11 2HG LYS 11 -9.878 0.118 10.467 85 HG3 LYS 11 1HG LYS 11 -9.730 1.531 9.415 86 HD2 LYS 11 2HD LYS 11 -10.389 0.125 7.501 87 HD3 LYS 11 1HD LYS 11 -10.606 -1.222 8.622 88 HE2 LYS 11 2HE LYS 11 -12.356 -0.077 9.764 89 HE3 LYS 11 1HE LYS 11 -12.047 1.393 8.835 90 HZ1 LYS 11 3HZ LYS 11 -13.962 0.171 8.016 91 HZ2 LYS 11 1HZ LYS 11 -12.986 -1.156 7.632 92 HZ3 LYS 11 2HZ LYS 11 -12.748 0.339 6.870 93 H LEU 12 H LEU 12 -5.729 1.013 7.854 94 HA LEU 12 HA LEU 12 -4.033 -1.195 7.917 95 HB2 LEU 12 2HB LEU 12 -3.596 1.556 6.773 96 HB3 LEU 12 1HB LEU 12 -2.456 0.247 6.575 97 HG LEU 12 HG LEU 12 -5.309 0.160 5.606 98 HD11 LEU 12 1HD1 LEU 12 -4.291 0.503 3.400 99 HD12 LEU 12 2HD1 LEU 12 -2.723 0.752 4.176 100 HD13 LEU 12 3HD1 LEU 12 -4.041 1.890 4.459 101 HD21 LEU 12 3HD2 LEU 12 -4.291 -2.036 6.044 102 HD22 LEU 12 1HD2 LEU 12 -2.908 -1.582 5.052 103 HD23 LEU 12 2HD2 LEU 12 -4.495 -1.755 4.313 104 H ARG 13 H ARG 13 -3.628 1.954 9.360 105 HA ARG 13 HA ARG 13 -0.959 1.457 10.166 106 HB2 ARG 13 2HB ARG 13 -1.902 3.733 9.791 107 HB3 ARG 13 1HB ARG 13 -2.843 3.542 11.260 108 HG2 ARG 13 2HG ARG 13 -0.965 3.563 12.620 109 HG3 ARG 13 1HG ARG 13 0.127 3.263 11.260 110 HD2 ARG 13 2HD ARG 13 -0.419 5.481 10.370 111 HD3 ARG 13 1HD ARG 13 -1.466 5.769 11.763 112 HE ARG 13 HE ARG 13 0.389 5.887 13.139 113 HH11 ARG 13 1HH1 ARG 13 1.391 5.435 9.749 114 HH12 ARG 13 2HH1 ARG 13 3.030 5.829 10.091 115 HH21 ARG 13 1HH2 ARG 13 2.593 6.400 13.511 116 HH22 ARG 13 2HH2 ARG 13 3.713 6.426 12.227 117 H GLN 14 H GLN 14 -4.026 0.885 11.636 118 HA GLN 14 HA GLN 14 -2.923 0.199 14.214 119 HB2 GLN 14 2HB GLN 14 -5.650 -0.344 13.020 120 HB3 GLN 14 1HB GLN 14 -5.212 -0.603 14.702 121 HG2 GLN 14 2HG GLN 14 -4.898 1.758 15.048 122 HG3 GLN 14 1HG GLN 14 -5.124 2.076 13.329 123 HE21 GLN 14 1HE2 GLN 14 -7.145 1.938 12.464 124 HE22 GLN 14 2HE2 GLN 14 -8.603 1.940 13.381 125 H PHE 15 H PHE 15 -3.907 -1.391 11.295 126 HA PHE 15 HA PHE 15 -3.856 -4.106 11.997 127 HB2 PHE 15 2HB PHE 15 -4.799 -3.032 9.920 128 HB3 PHE 15 1HB PHE 15 -3.160 -2.796 9.361 129 HD1 PHE 15 2HD PHE 15 -1.807 -4.757 8.687 130 HD2 PHE 15 1HD PHE 15 -5.912 -5.096 9.727 131 HE1 PHE 15 2HE PHE 15 -1.908 -6.927 7.546 132 HE2 PHE 15 1HE PHE 15 -6.028 -7.265 8.570 133 HZ PHE 15 HZ PHE 15 -4.021 -8.181 7.485 134 H LYS 16 H LYS 16 -1.367 -1.961 10.732 135 HA LYS 16 HA LYS 16 0.883 -1.918 10.859 136 HB2 LYS 16 2HB LYS 16 0.664 -4.433 12.526 137 HB3 LYS 16 1HB LYS 16 2.192 -3.690 12.097 138 HG2 LYS 16 2HG LYS 16 1.577 -1.699 13.367 139 HG3 LYS 16 1HG LYS 16 0.018 -2.434 13.768 140 HD2 LYS 16 2HD LYS 16 1.171 -4.279 14.896 141 HD3 LYS 16 1HD LYS 16 2.727 -3.570 14.476 142 HE2 LYS 16 2HE LYS 16 0.643 -2.235 16.200 143 HE3 LYS 16 1HE LYS 16 2.009 -3.161 16.818 144 HZ1 LYS 16 3HZ LYS 16 2.184 -0.667 15.195 145 HZ2 LYS 16 1HZ LYS 16 3.508 -1.550 15.792 146 HZ3 LYS 16 2HZ LYS 16 2.442 -0.801 16.844 147 H GLY 17 H GLY 17 2.700 -2.792 9.803 148 HA2 GLY 17 2HA GLY 17 1.890 -4.516 7.635 149 HA3 GLY 17 1HA GLY 17 3.415 -3.630 7.750 150 H LYS 18 H LYS 18 1.669 -6.470 8.677 151 HA LYS 18 HA LYS 18 4.000 -7.618 9.944 152 HB2 LYS 18 2HB LYS 18 1.307 -8.868 9.357 153 HB3 LYS 18 1HB LYS 18 2.619 -9.718 10.147 154 HG2 LYS 18 2HG LYS 18 1.328 -9.029 11.951 155 HG3 LYS 18 1HG LYS 18 2.550 -7.766 11.841 156 HD2 LYS 18 2HD LYS 18 0.469 -6.643 12.173 157 HD3 LYS 18 1HD LYS 18 0.898 -6.443 10.480 158 HE2 LYS 18 2HE LYS 18 -1.454 -6.968 10.702 159 HE3 LYS 18 1HE LYS 18 -0.621 -8.285 9.883 160 HZ1 LYS 18 3HZ LYS 18 -0.595 -9.522 11.939 161 HZ2 LYS 18 1HZ LYS 18 -2.162 -9.100 11.554 162 HZ3 LYS 18 2HZ LYS 18 -1.350 -8.272 12.772 163 H VAL 19 H VAL 19 3.210 -7.104 6.899 164 HA VAL 19 HA VAL 19 4.489 -9.509 5.864 165 HB VAL 19 HB VAL 19 3.872 -8.563 3.584 166 HG11 VAL 19 1HG1 VAL 19 1.592 -8.917 5.516 167 HG12 VAL 19 2HG1 VAL 19 2.433 -10.209 4.655 168 HG13 VAL 19 3HG1 VAL 19 1.479 -9.021 3.764 169 HG21 VAL 19 3HG2 VAL 19 2.253 -6.733 3.490 170 HG22 VAL 19 1HG2 VAL 19 3.760 -6.203 4.237 171 HG23 VAL 19 2HG2 VAL 19 2.352 -6.550 5.239 172 H ASN 20 H ASN 20 6.168 -9.076 4.170 173 HA ASN 20 HA ASN 20 8.294 -7.614 5.298 174 HB2 ASN 20 2HB ASN 20 8.439 -9.621 3.663 175 HB3 ASN 20 1HB ASN 20 8.130 -8.410 2.423 176 HD21 ASN 20 1HD2 ASN 20 10.451 -10.150 2.934 177 HD22 ASN 20 2HD2 ASN 20 11.808 -9.097 2.963 178 H PHE 21 H PHE 21 8.876 -5.568 5.127 179 HA PHE 21 HA PHE 21 7.436 -3.532 3.918 180 HB2 PHE 21 2HB PHE 21 9.008 -3.043 5.695 181 HB3 PHE 21 1HB PHE 21 10.350 -3.652 4.737 182 HD1 PHE 21 1HD PHE 21 7.993 -0.877 5.169 183 HD2 PHE 21 2HD PHE 21 11.376 -2.305 3.033 184 HE1 PHE 21 1HE PHE 21 8.384 1.379 4.276 185 HE2 PHE 21 2HE PHE 21 11.776 -0.057 2.132 186 HZ PHE 21 HZ PHE 21 10.286 1.783 2.736 187 H ASN 22 H ASN 22 10.096 -5.473 2.708 188 HA ASN 22 HA ASN 22 10.596 -3.794 0.434 189 HB2 ASN 22 2HB ASN 22 11.569 -6.584 1.089 190 HB3 ASN 22 1HB ASN 22 11.997 -5.756 -0.398 191 HD21 ASN 22 1HD2 ASN 22 11.725 -4.229 2.767 192 HD22 ASN 22 2HD2 ASN 22 13.392 -3.847 2.927 193 H LEU 23 H LEU 23 8.619 -6.453 1.161 194 HA LEU 23 HA LEU 23 7.966 -7.194 -1.490 195 HB2 LEU 23 2HB LEU 23 7.685 -8.669 0.446 196 HB3 LEU 23 1HB LEU 23 6.505 -7.531 1.088 197 HG LEU 23 HG LEU 23 4.982 -8.058 -0.727 198 HD11 LEU 23 1HD1 LEU 23 5.481 -9.920 -2.269 199 HD12 LEU 23 2HD1 LEU 23 7.106 -10.034 -1.595 200 HD13 LEU 23 3HD1 LEU 23 6.606 -8.585 -2.464 201 HD21 LEU 23 3HD2 LEU 23 6.047 -10.494 0.694 202 HD22 LEU 23 1HD2 LEU 23 4.425 -10.301 0.034 203 HD23 LEU 23 2HD2 LEU 23 4.944 -9.305 1.387 204 H VAL 24 H VAL 24 6.355 -5.244 1.020 205 HA VAL 24 HA VAL 24 4.173 -4.451 -0.592 206 HB VAL 24 HB VAL 24 5.376 -2.874 1.705 207 HG11 VAL 24 1HG1 VAL 24 3.123 -1.915 1.946 208 HG12 VAL 24 2HG1 VAL 24 2.597 -2.811 0.522 209 HG13 VAL 24 3HG1 VAL 24 3.822 -1.553 0.368 210 HG21 VAL 24 3HG2 VAL 24 3.234 -4.987 1.719 211 HG22 VAL 24 1HG2 VAL 24 3.697 -3.995 3.100 212 HG23 VAL 24 2HG2 VAL 24 4.852 -5.130 2.399 213 H MET 25 H MET 25 7.299 -2.965 0.055 214 HA MET 25 HA MET 25 7.015 -0.653 -1.468 215 HB2 MET 25 2HB MET 25 8.894 -1.000 0.035 216 HB3 MET 25 1HB MET 25 9.517 -2.302 -0.943 217 HG2 MET 25 2HG MET 25 9.884 -0.682 -2.783 218 HG3 MET 25 1HG MET 25 9.331 0.604 -1.713 219 HE1 MET 25 3HE MET 25 13.214 -1.837 -1.101 220 HE2 MET 25 1HE MET 25 12.151 -2.008 -2.496 221 HE3 MET 25 2HE MET 25 11.625 -2.568 -0.906 222 H GLN 26 H GLN 26 7.923 -3.904 -2.438 223 HA GLN 26 HA GLN 26 8.401 -3.242 -5.149 224 HB2 GLN 26 2HB GLN 26 9.369 -5.220 -4.271 225 HB3 GLN 26 1HB GLN 26 7.801 -5.870 -3.801 226 HG2 GLN 26 2HG GLN 26 7.183 -6.064 -6.163 227 HG3 GLN 26 1HG GLN 26 8.743 -5.395 -6.624 228 HE21 GLN 26 1HE2 GLN 26 9.210 -7.220 -7.805 229 HE22 GLN 26 2HE2 GLN 26 9.658 -8.715 -7.067 230 H ILE 27 H ILE 27 5.561 -4.471 -3.414 231 HA ILE 27 HA ILE 27 3.855 -4.844 -5.594 232 HB ILE 27 HB ILE 27 3.124 -3.819 -2.827 233 HG12 ILE 27 2HG1 ILE 27 4.248 -5.984 -2.712 234 HG13 ILE 27 1HG1 ILE 27 2.555 -6.153 -2.289 235 HG21 ILE 27 1HG2 ILE 27 1.314 -5.044 -4.900 236 HG22 ILE 27 2HG2 ILE 27 1.307 -3.366 -4.357 237 HG23 ILE 27 3HG2 ILE 27 0.856 -4.654 -3.241 238 HD11 ILE 27 3HD1 ILE 27 3.828 -6.912 -4.908 239 HD12 ILE 27 1HD1 ILE 27 2.107 -7.043 -4.532 240 HD13 ILE 27 2HD1 ILE 27 3.283 -8.006 -3.639 241 H LEU 28 H LEU 28 4.428 -1.985 -3.642 242 HA LEU 28 HA LEU 28 2.732 -0.190 -5.011 243 HB2 LEU 28 2HB LEU 28 5.223 0.355 -3.405 244 HB3 LEU 28 1HB LEU 28 4.003 1.534 -3.835 245 HG LEU 28 HG LEU 28 3.533 -0.852 -2.043 246 HD11 LEU 28 1HD1 LEU 28 5.031 0.733 -1.019 247 HD12 LEU 28 2HD1 LEU 28 3.451 0.774 -0.236 248 HD13 LEU 28 3HD1 LEU 28 3.913 2.050 -1.367 249 HD21 LEU 28 3HD2 LEU 28 1.820 1.536 -2.660 250 HD22 LEU 28 1HD2 LEU 28 1.437 0.273 -1.495 251 HD23 LEU 28 2HD2 LEU 28 1.517 -0.114 -3.216 252 H ASP 29 H ASP 29 6.157 -0.971 -5.297 253 HA ASP 29 HA ASP 29 6.930 1.016 -7.146 254 HB2 ASP 29 2HB ASP 29 8.405 -0.561 -5.729 255 HB3 ASP 29 1HB ASP 29 8.056 -1.740 -6.940 256 H GLU 30 H GLU 30 5.853 -2.255 -7.508 257 HA GLU 30 HA GLU 30 6.253 -2.550 -10.264 258 HB2 GLU 30 2HB GLU 30 5.680 -4.306 -8.369 259 HB3 GLU 30 1HB GLU 30 4.027 -4.018 -8.889 260 HG2 GLU 30 2HG GLU 30 4.503 -4.811 -11.096 261 HG3 GLU 30 1HG GLU 30 6.227 -4.886 -10.741 262 H ILE 31 H ILE 31 3.321 -1.517 -8.497 263 HA ILE 31 HA ILE 31 1.856 -1.115 -10.942 264 HB ILE 31 HB ILE 31 0.137 0.052 -9.639 265 HG12 ILE 31 2HG1 ILE 31 2.010 -0.174 -7.267 266 HG13 ILE 31 1HG1 ILE 31 1.639 1.312 -8.132 267 HG21 ILE 31 1HG2 ILE 31 -0.457 -1.711 -8.046 268 HG22 ILE 31 2HG2 ILE 31 1.159 -2.379 -8.202 269 HG23 ILE 31 3HG2 ILE 31 0.074 -2.358 -9.600 270 HD11 ILE 31 3HD1 ILE 31 -0.687 1.130 -7.434 271 HD12 ILE 31 1HD1 ILE 31 0.419 1.160 -6.059 272 HD13 ILE 31 2HD1 ILE 31 -0.304 -0.366 -6.578 273 H GLU 32 H GLU 32 3.851 0.866 -8.896 274 HA GLU 32 HA GLU 32 3.321 3.405 -9.913 275 HB2 GLU 32 2HB GLU 32 4.591 2.973 -7.865 276 HB3 GLU 32 1HB GLU 32 5.885 2.266 -8.812 277 HG2 GLU 32 2HG GLU 32 6.295 4.399 -9.862 278 HG3 GLU 32 1HG GLU 32 4.982 5.123 -8.928 279 H LEU 33 H LEU 33 5.801 1.071 -10.818 280 HA LEU 33 HA LEU 33 6.798 2.664 -12.920 281 HB2 LEU 33 2HB LEU 33 8.182 0.746 -13.557 282 HB3 LEU 33 1HB LEU 33 8.263 1.076 -11.854 283 HG LEU 33 HG LEU 33 6.573 -0.863 -11.588 284 HD11 LEU 33 1HD1 LEU 33 7.619 -1.551 -14.320 285 HD12 LEU 33 2HD1 LEU 33 5.954 -1.133 -13.918 286 HD13 LEU 33 3HD1 LEU 33 6.671 -2.612 -13.277 287 HD21 LEU 33 3HD2 LEU 33 9.408 -1.387 -12.449 288 HD22 LEU 33 1HD2 LEU 33 8.384 -2.518 -11.566 289 HD23 LEU 33 2HD2 LEU 33 8.855 -0.993 -10.820 290 H ASP 34 H ASP 34 4.259 0.322 -12.802 291 HA ASP 34 HA ASP 34 4.090 0.066 -15.645 292 HB2 ASP 34 2HB ASP 34 3.231 -1.714 -14.189 293 HB3 ASP 34 1HB ASP 34 2.000 -0.614 -13.572 294 H LEU 35 H LEU 35 2.218 1.855 -13.260 295 HA LEU 35 HA LEU 35 0.436 3.002 -15.179 296 HB2 LEU 35 2HB LEU 35 -0.163 2.577 -12.843 297 HB3 LEU 35 1HB LEU 35 1.012 3.765 -12.324 298 HG LEU 35 HG LEU 35 -0.316 5.486 -13.577 299 HD11 LEU 35 1HD1 LEU 35 -1.520 4.034 -15.083 300 HD12 LEU 35 2HD1 LEU 35 -2.648 4.954 -14.091 301 HD13 LEU 35 3HD1 LEU 35 -2.331 3.258 -13.723 302 HD21 LEU 35 3HD2 LEU 35 -1.643 4.007 -11.316 303 HD22 LEU 35 1HD2 LEU 35 -2.040 5.650 -11.826 304 HD23 LEU 35 2HD2 LEU 35 -0.443 5.291 -11.175 305 H ARG 36 H ARG 36 2.964 4.353 -13.144 306 HA ARG 36 HA ARG 36 4.324 6.072 -13.197 307 HB2 ARG 36 2HB ARG 36 3.727 6.306 -16.167 308 HB3 ARG 36 1HB ARG 36 5.002 7.164 -15.323 309 HG2 ARG 36 2HG ARG 36 4.804 4.188 -15.758 310 HG3 ARG 36 1HG ARG 36 5.940 5.299 -16.519 311 HD2 ARG 36 2HD ARG 36 5.801 4.673 -13.567 312 HD3 ARG 36 1HD ARG 36 6.953 3.983 -14.694 313 HE ARG 36 HE ARG 36 7.672 6.368 -15.046 314 HH11 ARG 36 1HH1 ARG 36 6.313 5.275 -11.940 315 HH12 ARG 36 2HH1 ARG 36 7.271 6.322 -11.004 316 HH21 ARG 36 1HH2 ARG 36 9.013 7.792 -13.698 317 HH22 ARG 36 2HH2 ARG 36 8.823 7.773 -12.006 318 H GLY 37 H GLY 37 2.034 7.323 -15.568 319 HA2 GLY 37 2HA GLY 37 1.840 9.689 -13.874 320 HA3 GLY 37 1HA GLY 37 1.286 9.556 -15.535 321 H SER 38 H SER 38 -0.490 7.809 -15.762 322 HA SER 38 HA SER 38 -2.405 7.282 -13.844 323 HB2 SER 38 2HB SER 38 -2.547 9.751 -13.530 324 HB3 SER 38 1HB SER 38 -2.923 9.939 -15.238 325 HG SER 38 HG SER 38 -4.518 8.348 -13.503 326 H ASP 39 H ASP 39 -4.177 6.243 -14.769 327 HA ASP 39 HA ASP 39 -5.241 6.504 -17.288 328 HB2 ASP 39 2HB ASP 39 -3.167 5.623 -18.266 329 HB3 ASP 39 1HB ASP 39 -3.181 4.253 -17.166 330 H ASN 40 H ASN 40 -4.389 3.365 -16.044 331 HA ASN 40 HA ASN 40 -6.867 3.231 -14.554 332 HB2 ASN 40 2HB ASN 40 -5.992 1.241 -16.664 333 HB3 ASN 40 1HB ASN 40 -7.136 0.828 -15.402 334 HD21 ASN 40 1HD2 ASN 40 -6.596 2.639 -18.300 335 HD22 ASN 40 2HD2 ASN 40 -8.262 2.999 -18.605 336 H ILE 41 H ILE 41 -5.849 3.281 -12.703 337 HA ILE 41 HA ILE 41 -3.426 1.842 -12.274 338 HB ILE 41 HB ILE 41 -3.755 3.918 -11.070 339 HG12 ILE 41 2HG1 ILE 41 -3.820 1.605 -9.104 340 HG13 ILE 41 1HG1 ILE 41 -2.390 2.142 -9.968 341 HG21 ILE 41 1HG2 ILE 41 -6.178 2.591 -9.923 342 HG22 ILE 41 2HG2 ILE 41 -6.078 4.079 -10.875 343 HG23 ILE 41 3HG2 ILE 41 -5.446 4.039 -9.232 344 HD11 ILE 41 3HD1 ILE 41 -3.950 3.735 -7.947 345 HD12 ILE 41 1HD1 ILE 41 -2.519 4.296 -8.813 346 HD13 ILE 41 2HD1 ILE 41 -2.396 2.941 -7.691 347 H LYS 42 H LYS 42 -6.802 1.204 -11.801 348 HA LYS 42 HA LYS 42 -6.590 -0.944 -10.024 349 HB2 LYS 42 2HB LYS 42 -8.756 -1.708 -10.850 350 HB3 LYS 42 1HB LYS 42 -8.772 0.022 -10.559 351 HG2 LYS 42 2HG LYS 42 -8.595 0.451 -12.940 352 HG3 LYS 42 1HG LYS 42 -8.470 -1.277 -13.262 353 HD2 LYS 42 2HD LYS 42 -10.822 0.135 -12.019 354 HD3 LYS 42 1HD LYS 42 -10.734 -0.417 -13.695 355 HE2 LYS 42 2HE LYS 42 -10.459 -2.763 -12.821 356 HE3 LYS 42 1HE LYS 42 -10.705 -2.129 -11.200 357 HZ1 LYS 42 3HZ LYS 42 -12.935 -1.352 -11.931 358 HZ2 LYS 42 1HZ LYS 42 -12.749 -3.018 -12.031 359 HZ3 LYS 42 2HZ LYS 42 -12.679 -2.108 -13.417 360 H THR 43 H THR 43 -6.146 -0.766 -13.512 361 HA THR 43 HA THR 43 -6.062 -3.534 -13.951 362 HB THR 43 HB THR 43 -4.715 -1.424 -15.641 363 HG1 THR 43 1HG THR 43 -7.475 -2.109 -15.421 364 HG21 THR 43 3HG2 THR 43 -4.537 -3.809 -16.310 365 HG22 THR 43 1HG2 THR 43 -5.495 -2.868 -17.455 366 HG23 THR 43 2HG2 THR 43 -6.296 -3.923 -16.293 367 H SER 44 H SER 44 -3.627 -1.039 -13.248 368 HA SER 44 HA SER 44 -1.385 -2.702 -13.459 369 HB2 SER 44 2HB SER 44 -1.790 -0.254 -11.724 370 HB3 SER 44 1HB SER 44 -0.232 -0.949 -12.178 371 HG SER 44 HG SER 44 -0.604 -0.432 -14.288 372 H ILE 45 H ILE 45 -3.539 -1.904 -10.767 373 HA ILE 45 HA ILE 45 -2.372 -3.357 -8.695 374 HB ILE 45 HB ILE 45 -5.318 -2.958 -9.325 375 HG12 ILE 45 2HG1 ILE 45 -4.110 -0.847 -8.927 376 HG13 ILE 45 1HG1 ILE 45 -5.301 -1.158 -7.675 377 HG21 ILE 45 1HG2 ILE 45 -5.125 -4.849 -7.852 378 HG22 ILE 45 2HG2 ILE 45 -5.816 -3.479 -6.983 379 HG23 ILE 45 3HG2 ILE 45 -4.127 -3.917 -6.735 380 HD11 ILE 45 3HD1 ILE 45 -2.330 -1.577 -7.441 381 HD12 ILE 45 1HD1 ILE 45 -3.516 -1.905 -6.180 382 HD13 ILE 45 2HD1 ILE 45 -3.260 -0.253 -6.740 383 H ILE 46 H ILE 46 -4.724 -4.365 -11.127 384 HA ILE 46 HA ILE 46 -5.054 -7.004 -10.419 385 HB ILE 46 HB ILE 46 -5.119 -5.831 -13.215 386 HG12 ILE 46 2HG1 ILE 46 -7.348 -6.415 -11.245 387 HG13 ILE 46 1HG1 ILE 46 -6.684 -4.827 -11.627 388 HG21 ILE 46 1HG2 ILE 46 -4.842 -8.245 -13.356 389 HG22 ILE 46 2HG2 ILE 46 -6.488 -7.803 -13.815 390 HG23 ILE 46 3HG2 ILE 46 -6.170 -8.485 -12.221 391 HD11 ILE 46 3HD1 ILE 46 -8.802 -5.210 -12.758 392 HD12 ILE 46 1HD1 ILE 46 -8.123 -6.636 -13.542 393 HD13 ILE 46 2HD1 ILE 46 -7.484 -5.039 -13.918 394 H TYR 47 H TYR 47 -2.603 -5.710 -12.695 395 HA TYR 47 HA TYR 47 -1.507 -8.177 -13.474 396 HB2 TYR 47 2HB TYR 47 0.133 -5.682 -13.060 397 HB3 TYR 47 1HB TYR 47 0.510 -7.039 -14.099 398 HD1 TYR 47 2HD TYR 47 -2.037 -7.379 -15.579 399 HD2 TYR 47 1HD TYR 47 0.049 -3.894 -14.368 400 HE1 TYR 47 2HE TYR 47 -3.039 -6.141 -17.444 401 HE2 TYR 47 1HE TYR 47 -0.903 -2.642 -16.157 402 HH TYR 47 HH TYR 47 -1.877 -3.126 -18.425 403 H VAL 48 H VAL 48 -0.720 -6.099 -10.796 404 HA VAL 48 HA VAL 48 1.538 -7.588 -9.983 405 HB VAL 48 HB VAL 48 -0.009 -5.415 -8.556 406 HG11 VAL 48 1HG1 VAL 48 2.773 -6.468 -8.030 407 HG12 VAL 48 2HG1 VAL 48 1.369 -6.709 -6.993 408 HG13 VAL 48 3HG1 VAL 48 2.023 -5.087 -7.228 409 HG21 VAL 48 3HG2 VAL 48 1.779 -3.942 -9.420 410 HG22 VAL 48 1HG2 VAL 48 0.842 -4.689 -10.714 411 HG23 VAL 48 2HG2 VAL 48 2.436 -5.308 -10.318 412 H TYR 49 H TYR 49 -1.771 -7.250 -8.771 413 HA TYR 49 HA TYR 49 -1.382 -8.988 -6.603 414 HB2 TYR 49 2HB TYR 49 -3.869 -7.857 -7.883 415 HB3 TYR 49 1HB TYR 49 -3.944 -8.951 -6.507 416 HD1 TYR 49 2HD TYR 49 -1.386 -6.286 -7.004 417 HD2 TYR 49 1HD TYR 49 -4.878 -7.464 -4.887 418 HE1 TYR 49 2HE TYR 49 -1.076 -4.406 -5.490 419 HE2 TYR 49 1HE TYR 49 -4.570 -5.568 -3.344 420 HH TYR 49 HH TYR 49 -2.370 -3.030 -3.991 421 H SER 50 H SER 50 -2.245 -9.523 -9.918 422 HA SER 50 HA SER 50 -3.191 -12.181 -9.457 423 HB2 SER 50 2HB SER 50 -3.212 -12.351 -11.946 424 HB3 SER 50 1HB SER 50 -4.063 -10.931 -11.320 425 HG SER 50 HG SER 50 -2.516 -9.653 -11.958 426 H SER 51 H SER 51 -0.075 -10.770 -9.972 427 HA SER 51 HA SER 51 1.038 -13.393 -10.584 428 HB2 SER 51 2HB SER 51 1.825 -11.378 -11.824 429 HB3 SER 51 1HB SER 51 2.453 -10.723 -10.313 430 HG SER 51 HG SER 51 3.790 -12.076 -11.911 431 H HIS 52 H HIS 52 0.929 -11.010 -8.036 432 HA HIS 52 HA HIS 52 2.714 -12.553 -6.313 433 HB2 HIS 52 2HB HIS 52 1.424 -9.824 -6.009 434 HB3 HIS 52 1HB HIS 52 2.347 -10.596 -4.735 435 HD1 HIS 52 1HD HIS 52 4.834 -10.579 -4.925 436 HD2 HIS 52 2HD HIS 52 2.972 -8.921 -8.234 437 HE1 HIS 52 1HE HIS 52 6.673 -9.334 -6.202 438 HE2 HIS 52 2HE HIS 52 5.438 -8.204 -8.124 439 H LEU 53 H LEU 53 0.498 -13.861 -6.949 440 HA LEU 53 HA LEU 53 -1.896 -13.635 -5.643 441 HB2 LEU 53 2HB LEU 53 -0.398 -16.120 -6.375 442 HB3 LEU 53 1HB LEU 53 -2.064 -16.077 -5.842 443 HG LEU 53 HG LEU 53 -1.102 -14.605 -8.286 444 HD11 LEU 53 1HD1 LEU 53 -0.669 -16.972 -8.591 445 HD12 LEU 53 2HD1 LEU 53 -2.060 -16.477 -9.559 446 HD13 LEU 53 3HD1 LEU 53 -2.298 -17.357 -8.047 447 HD21 LEU 53 3HD2 LEU 53 -3.199 -13.830 -7.297 448 HD22 LEU 53 1HD2 LEU 53 -3.833 -15.473 -7.353 449 HD23 LEU 53 2HD2 LEU 53 -3.471 -14.615 -8.850 450 H ASP 54 H ASP 54 0.973 -15.345 -4.404 451 HA ASP 54 HA ASP 54 -0.378 -16.500 -2.228 452 HB2 ASP 54 2HB ASP 54 1.862 -17.272 -3.068 453 HB3 ASP 54 1HB ASP 54 2.569 -15.870 -2.264 454 H GLU 55 H GLU 55 1.607 -13.600 -2.406 455 HA GLU 55 HA GLU 55 1.465 -12.654 0.164 456 HB2 GLU 55 2HB GLU 55 1.317 -11.107 -2.423 457 HB3 GLU 55 1HB GLU 55 1.636 -10.412 -0.849 458 HG2 GLU 55 2HG GLU 55 3.697 -10.541 -1.817 459 HG3 GLU 55 1HG GLU 55 3.611 -11.961 -0.769 460 H ILE 56 H ILE 56 -0.610 -12.057 -2.510 461 HA ILE 56 HA ILE 56 -2.431 -10.323 -1.256 462 HB ILE 56 HB ILE 56 -3.022 -12.076 -3.660 463 HG12 ILE 56 2HG1 ILE 56 -0.998 -10.860 -4.134 464 HG13 ILE 56 1HG1 ILE 56 -2.322 -10.119 -5.018 465 HG21 ILE 56 1HG2 ILE 56 -4.233 -9.454 -2.794 466 HG22 ILE 56 2HG2 ILE 56 -5.035 -11.030 -2.779 467 HG23 ILE 56 3HG2 ILE 56 -4.564 -10.281 -4.311 468 HD11 ILE 56 3HD1 ILE 56 -0.829 -8.446 -4.112 469 HD12 ILE 56 1HD1 ILE 56 -1.082 -9.070 -2.481 470 HD13 ILE 56 2HD1 ILE 56 -2.418 -8.326 -3.358 471 H ARG 57 H ARG 57 -2.682 -13.834 -1.851 472 HA ARG 57 HA ARG 57 -5.249 -13.995 -0.639 473 HB2 ARG 57 2HB ARG 57 -5.015 -16.435 -0.726 474 HB3 ARG 57 1HB ARG 57 -4.578 -15.680 -2.249 475 HG2 ARG 57 2HG ARG 57 -2.212 -15.896 -1.644 476 HG3 ARG 57 1HG ARG 57 -2.679 -16.721 -0.161 477 HD2 ARG 57 2HD ARG 57 -3.317 -17.667 -2.957 478 HD3 ARG 57 1HD ARG 57 -2.001 -18.275 -1.958 479 HE ARG 57 HE ARG 57 -4.266 -18.590 -0.452 480 HH11 ARG 57 1HH1 ARG 57 -3.275 -19.705 -3.657 481 HH12 ARG 57 2HH1 ARG 57 -4.066 -21.200 -3.533 482 HH21 ARG 57 1HH2 ARG 57 -5.374 -20.595 -0.300 483 HH22 ARG 57 2HH2 ARG 57 -5.307 -21.732 -1.567 484 H LYS 58 H LYS 58 -2.065 -14.169 0.739 485 HA LYS 58 HA LYS 58 -2.949 -15.327 3.205 486 HB2 LYS 58 2HB LYS 58 -0.420 -14.173 2.229 487 HB3 LYS 58 1HB LYS 58 -0.700 -13.989 3.951 488 HG2 LYS 58 2HG LYS 58 0.615 -15.962 3.516 489 HG3 LYS 58 1HG LYS 58 -0.958 -16.418 4.155 490 HD2 LYS 58 2HD LYS 58 -1.709 -16.961 1.884 491 HD3 LYS 58 1HD LYS 58 -0.127 -16.496 1.256 492 HE2 LYS 58 2HE LYS 58 0.917 -18.230 2.655 493 HE3 LYS 58 1HE LYS 58 -0.677 -18.697 3.233 494 HZ1 LYS 58 3HZ LYS 58 0.090 -20.142 1.454 495 HZ2 LYS 58 1HZ LYS 58 0.230 -18.828 0.410 496 HZ3 LYS 58 2HZ LYS 58 -1.291 -19.321 1.005 497 H ASN 59 H ASN 59 -2.273 -12.059 2.167 498 HA ASN 59 HA ASN 59 -3.686 -11.155 4.565 499 HB2 ASN 59 2HB ASN 59 -1.236 -9.895 3.307 500 HB3 ASN 59 1HB ASN 59 -2.264 -9.061 4.471 501 HD21 ASN 59 1HD2 ASN 59 0.021 -11.670 4.021 502 HD22 ASN 59 2HD2 ASN 59 0.325 -11.968 5.672 503 H LYS 60 H LYS 60 -5.263 -11.631 2.928 504 HA LYS 60 HA LYS 60 -5.712 -10.206 0.624 505 HB2 LYS 60 2HB LYS 60 -8.049 -10.880 0.859 506 HB3 LYS 60 1HB LYS 60 -6.930 -12.217 1.113 507 HG2 LYS 60 2HG LYS 60 -7.214 -11.929 3.558 508 HG3 LYS 60 1HG LYS 60 -8.402 -10.672 3.247 509 HD2 LYS 60 2HD LYS 60 -8.617 -13.596 2.485 510 HD3 LYS 60 1HD LYS 60 -9.472 -12.719 3.766 511 HE2 LYS 60 2HE LYS 60 -10.654 -11.378 2.159 512 HE3 LYS 60 1HE LYS 60 -9.714 -12.045 0.830 513 HZ1 LYS 60 3HZ LYS 60 -11.634 -13.567 2.520 514 HZ2 LYS 60 1HZ LYS 60 -10.710 -14.189 1.261 515 HZ3 LYS 60 2HZ LYS 60 -11.896 -13.055 0.940 516 H GLU 61 H GLU 61 -6.510 -9.341 3.937 517 HA GLU 61 HA GLU 61 -8.169 -7.217 3.097 518 HB2 GLU 61 2HB GLU 61 -8.287 -6.670 5.503 519 HB3 GLU 61 1HB GLU 61 -8.858 -8.274 5.092 520 HG2 GLU 61 2HG GLU 61 -6.165 -7.649 6.255 521 HG3 GLU 61 1HG GLU 61 -7.600 -8.089 7.196 522 H PHE 62 H PHE 62 -4.876 -7.598 4.042 523 HA PHE 62 HA PHE 62 -4.353 -4.833 4.509 524 HB2 PHE 62 2HB PHE 62 -2.784 -6.542 5.344 525 HB3 PHE 62 1HB PHE 62 -2.444 -7.049 3.694 526 HD1 PHE 62 2HD PHE 62 -2.064 -4.231 6.079 527 HD2 PHE 62 1HD PHE 62 -0.789 -5.940 2.381 528 HE1 PHE 62 2HE PHE 62 -0.254 -2.584 5.931 529 HE2 PHE 62 1HE PHE 62 1.007 -4.296 2.240 530 HZ PHE 62 HZ PHE 62 1.281 -2.613 4.002 531 H TYR 63 H TYR 63 -3.834 -6.985 1.773 532 HA TYR 63 HA TYR 63 -2.956 -4.908 0.108 533 HB2 TYR 63 2HB TYR 63 -3.783 -7.732 -0.528 534 HB3 TYR 63 1HB TYR 63 -3.156 -6.606 -1.735 535 HD1 TYR 63 1HD TYR 63 -0.876 -5.554 -1.298 536 HD2 TYR 63 2HD TYR 63 -2.270 -8.957 0.819 537 HE1 TYR 63 1HE TYR 63 1.434 -6.069 -0.624 538 HE2 TYR 63 2HE TYR 63 0.034 -9.489 1.492 539 HH TYR 63 HH TYR 63 2.330 -9.038 0.704 540 H ASP 64 H ASP 64 -6.131 -6.248 0.733 541 HA ASP 64 HA ASP 64 -7.427 -5.018 -1.435 542 HB2 ASP 64 2HB ASP 64 -8.618 -6.690 -0.170 543 HB3 ASP 64 1HB ASP 64 -8.488 -5.732 1.300 544 H MET 65 H MET 65 -6.963 -3.900 1.900 545 HA MET 65 HA MET 65 -8.280 -1.469 1.451 546 HB2 MET 65 2HB MET 65 -6.399 -2.275 3.656 547 HB3 MET 65 1HB MET 65 -7.236 -0.724 3.624 548 HG2 MET 65 2HG MET 65 -9.384 -1.956 3.540 549 HG3 MET 65 1HG MET 65 -8.474 -3.448 3.685 550 HE1 MET 65 3HE MET 65 -6.205 -2.708 5.781 551 HE2 MET 65 1HE MET 65 -7.152 -4.194 5.881 552 HE3 MET 65 2HE MET 65 -6.966 -3.167 7.306 553 H ILE 66 H ILE 66 -4.813 -2.292 1.238 554 HA ILE 66 HA ILE 66 -4.191 0.424 0.789 555 HB ILE 66 HB ILE 66 -2.014 -0.233 -0.157 556 HG12 ILE 66 2HG1 ILE 66 -2.725 -3.065 0.435 557 HG13 ILE 66 1HG1 ILE 66 -2.892 -2.424 -1.198 558 HG21 ILE 66 1HG2 ILE 66 -2.712 -1.659 2.392 559 HG22 ILE 66 2HG2 ILE 66 -2.196 0.018 2.216 560 HG23 ILE 66 3HG2 ILE 66 -1.079 -1.292 1.840 561 HD11 ILE 66 3HD1 ILE 66 -0.364 -2.610 0.434 562 HD12 ILE 66 1HD1 ILE 66 -0.506 -1.851 -1.154 563 HD13 ILE 66 2HD1 ILE 66 -0.790 -3.584 -0.986 564 H ALA 67 H ALA 67 -4.956 -2.208 -1.475 565 HA ALA 67 HA ALA 67 -4.502 -0.820 -3.854 566 HB1 ALA 67 1HB ALA 67 -5.009 -3.211 -3.790 567 HB2 ALA 67 2HB ALA 67 -6.107 -2.365 -4.884 568 HB3 ALA 67 3HB ALA 67 -6.655 -2.848 -3.277 569 H GLU 68 H GLU 68 -7.301 -0.852 -1.762 570 HA GLU 68 HA GLU 68 -9.063 0.731 -3.245 571 HB2 GLU 68 2HB GLU 68 -9.771 -0.483 -1.280 572 HB3 GLU 68 1HB GLU 68 -8.627 0.376 -0.274 573 HG2 GLU 68 2HG GLU 68 -10.912 1.103 0.128 574 HG3 GLU 68 1HG GLU 68 -9.928 2.413 -0.509 575 H ILE 69 H ILE 69 -6.789 1.663 -0.703 576 HA ILE 69 HA ILE 69 -7.234 4.434 -0.860 577 HB ILE 69 HB ILE 69 -4.974 2.865 0.385 578 HG12 ILE 69 2HG1 ILE 69 -7.393 4.155 1.633 579 HG13 ILE 69 1HG1 ILE 69 -7.325 2.467 1.145 580 HG21 ILE 69 1HG2 ILE 69 -4.502 4.872 1.717 581 HG22 ILE 69 2HG2 ILE 69 -5.726 5.767 0.821 582 HG23 ILE 69 3HG2 ILE 69 -4.269 5.203 0.000 583 HD11 ILE 69 3HD1 ILE 69 -5.550 3.784 3.169 584 HD12 ILE 69 1HD1 ILE 69 -5.520 2.087 2.695 585 HD13 ILE 69 2HD1 ILE 69 -6.934 2.740 3.514 586 H LEU 70 H LEU 70 -4.709 2.396 -2.309 587 HA LEU 70 HA LEU 70 -2.994 4.332 -3.289 588 HB2 LEU 70 2HB LEU 70 -3.805 1.718 -4.559 589 HB3 LEU 70 1HB LEU 70 -2.448 2.690 -5.088 590 HG LEU 70 HG LEU 70 -2.695 1.468 -2.339 591 HD11 LEU 70 1HD1 LEU 70 -0.993 -0.110 -3.081 592 HD12 LEU 70 2HD1 LEU 70 -1.086 0.558 -4.710 593 HD13 LEU 70 3HD1 LEU 70 -2.477 -0.272 -4.017 594 HD21 LEU 70 3HD2 LEU 70 -0.398 2.835 -3.732 595 HD22 LEU 70 1HD2 LEU 70 -0.318 2.031 -2.166 596 HD23 LEU 70 2HD2 LEU 70 -1.324 3.462 -2.368 597 H GLN 71 H GLN 71 -5.884 3.074 -4.806 598 HA GLN 71 HA GLN 71 -5.661 4.671 -7.178 599 HB2 GLN 71 2HB GLN 71 -8.069 3.323 -5.957 600 HB3 GLN 71 1HB GLN 71 -7.918 3.876 -7.621 601 HG2 GLN 71 2HG GLN 71 -6.167 2.225 -8.025 602 HG3 GLN 71 1HG GLN 71 -6.244 1.729 -6.346 603 HE21 GLN 71 1HE2 GLN 71 -7.872 0.465 -5.655 604 HE22 GLN 71 2HE2 GLN 71 -8.986 -0.325 -6.717 605 H ARG 72 H ARG 72 -7.577 4.747 -4.322 606 HA ARG 72 HA ARG 72 -9.340 6.829 -4.596 607 HB2 ARG 72 2HB ARG 72 -9.146 4.968 -2.971 608 HB3 ARG 72 1HB ARG 72 -7.853 5.841 -2.212 609 HG2 ARG 72 2HG ARG 72 -9.362 7.456 -1.352 610 HG3 ARG 72 1HG ARG 72 -10.695 6.803 -2.336 611 HD2 ARG 72 2HD ARG 72 -10.470 4.636 -1.258 612 HD3 ARG 72 1HD ARG 72 -9.122 5.225 -0.316 613 HE ARG 72 HE ARG 72 -10.698 6.639 0.865 614 HH11 ARG 72 1HH1 ARG 72 -12.124 3.967 -1.036 615 HH12 ARG 72 2HH1 ARG 72 -13.335 3.668 0.126 616 HH21 ARG 72 1HH2 ARG 72 -12.261 6.187 2.364 617 HH22 ARG 72 2HH2 ARG 72 -13.450 4.966 2.148 618 H TYR 73 H TYR 73 -6.016 6.895 -3.315 619 HA TYR 73 HA TYR 73 -6.256 9.773 -3.136 620 HB2 TYR 73 2HB TYR 73 -4.433 7.897 -1.692 621 HB3 TYR 73 1HB TYR 73 -4.073 9.617 -1.793 622 HD1 TYR 73 1HD TYR 73 -6.643 7.194 -0.627 623 HD2 TYR 73 2HD TYR 73 -5.180 11.182 -0.444 624 HE1 TYR 73 1HE TYR 73 -8.184 7.671 1.223 625 HE2 TYR 73 2HE TYR 73 -6.712 11.666 1.417 626 HH TYR 73 HH TYR 73 -8.802 10.847 2.307 627 H TYR 74 H TYR 74 -4.801 7.540 -5.253 628 HA TYR 74 HA TYR 74 -2.600 9.189 -5.924 629 HB2 TYR 74 2HB TYR 74 -2.013 7.548 -7.359 630 HB3 TYR 74 1HB TYR 74 -3.366 6.652 -6.711 631 HD1 TYR 74 1HD TYR 74 -5.528 6.619 -8.027 632 HD2 TYR 74 2HD TYR 74 -1.947 8.270 -9.609 633 HE1 TYR 74 1HE TYR 74 -6.440 6.413 -10.290 634 HE2 TYR 74 2HE TYR 74 -2.852 8.066 -11.881 635 HH TYR 74 HH TYR 74 -6.173 7.126 -12.468 636 H LYS 75 H LYS 75 -5.914 9.208 -6.785 637 HA LYS 75 HA LYS 75 -5.712 11.176 -8.853 638 HB2 LYS 75 2HB LYS 75 -7.984 10.200 -7.147 639 HB3 LYS 75 1HB LYS 75 -8.185 11.499 -8.311 640 HG2 LYS 75 2HG LYS 75 -7.216 8.749 -9.013 641 HG3 LYS 75 1HG LYS 75 -8.898 9.277 -9.122 642 HD2 LYS 75 2HD LYS 75 -8.165 11.104 -10.640 643 HD3 LYS 75 1HD LYS 75 -6.538 10.424 -10.613 644 HE2 LYS 75 2HE LYS 75 -7.730 9.707 -12.597 645 HE3 LYS 75 1HE LYS 75 -7.398 8.340 -11.534 646 HZ1 LYS 75 3HZ LYS 75 -9.692 8.442 -10.752 647 HZ2 LYS 75 1HZ LYS 75 -9.649 8.270 -12.423 648 HZ3 LYS 75 2HZ LYS 75 -10.007 9.759 -11.752 649 H LYS 76 H LYS 76 -5.513 11.326 -5.466 650 HA LYS 76 HA LYS 76 -6.423 14.096 -5.395 651 HB2 LYS 76 2HB LYS 76 -5.800 12.219 -3.114 652 HB3 LYS 76 1HB LYS 76 -6.445 13.850 -2.951 653 HG2 LYS 76 2HG LYS 76 -8.457 13.185 -4.162 654 HG3 LYS 76 1HG LYS 76 -7.813 11.556 -4.340 655 HD2 LYS 76 2HD LYS 76 -7.789 11.313 -1.894 656 HD3 LYS 76 1HD LYS 76 -8.470 12.934 -1.733 657 HE2 LYS 76 2HE LYS 76 -9.778 10.594 -3.134 658 HE3 LYS 76 1HE LYS 76 -10.194 11.190 -1.533 659 HZ1 LYS 76 3HZ LYS 76 -10.457 12.746 -4.060 660 HZ2 LYS 76 1HZ LYS 76 -10.885 13.283 -2.526 661 HZ3 LYS 76 2HZ LYS 76 -11.718 12.007 -3.243 662 H ILE 77 H ILE 77 -3.637 12.166 -4.332 663 HA ILE 77 HA ILE 77 -2.112 14.683 -4.367 664 HB ILE 77 HB ILE 77 -0.574 13.652 -2.662 665 HG12 ILE 77 2HG1 ILE 77 -2.830 11.645 -2.393 666 HG13 ILE 77 1HG1 ILE 77 -1.224 11.294 -3.009 667 HG21 ILE 77 1HG2 ILE 77 -3.443 14.097 -1.843 668 HG22 ILE 77 2HG2 ILE 77 -2.204 15.338 -2.038 669 HG23 ILE 77 3HG2 ILE 77 -2.053 14.135 -0.757 670 HD11 ILE 77 3HD1 ILE 77 -1.904 12.167 -0.207 671 HD12 ILE 77 1HD1 ILE 77 -0.283 11.827 -0.814 672 HD13 ILE 77 2HD1 ILE 77 -1.476 10.533 -0.722 673 H GLY 78 H GLY 78 -2.102 11.331 -5.329 674 HA2 GLY 78 2HA GLY 78 -0.866 11.065 -7.510 675 HA3 GLY 78 1HA GLY 78 0.489 11.817 -6.667 676 H ILE 79 H ILE 79 0.281 9.154 -7.896 677 HA ILE 79 HA ILE 79 -0.155 7.236 -5.872 678 HB ILE 79 HB ILE 79 -0.408 6.589 -8.222 679 HG12 ILE 79 2HG1 ILE 79 0.849 4.449 -8.228 680 HG13 ILE 79 1HG1 ILE 79 1.821 5.043 -6.887 681 HG21 ILE 79 1HG2 ILE 79 1.288 7.943 -9.254 682 HG22 ILE 79 2HG2 ILE 79 1.494 6.251 -9.711 683 HG23 ILE 79 3HG2 ILE 79 2.557 6.973 -8.504 684 HD11 ILE 79 3HD1 ILE 79 0.060 3.505 -6.169 685 HD12 ILE 79 1HD1 ILE 79 -1.159 4.600 -6.816 686 HD13 ILE 79 2HD1 ILE 79 -0.141 5.106 -5.463 687 H GLU 80 H GLU 80 2.747 8.828 -7.006 688 HA GLU 80 HA GLU 80 4.734 7.321 -5.722 689 HB2 GLU 80 2HB GLU 80 4.575 10.276 -6.263 690 HB3 GLU 80 1HB GLU 80 6.039 9.423 -5.815 691 HG2 GLU 80 2HG GLU 80 6.091 8.251 -7.858 692 HG3 GLU 80 1HG GLU 80 4.434 8.712 -8.252 693 H ASN 81 H ASN 81 2.734 9.936 -4.675 694 HA ASN 81 HA ASN 81 3.928 10.390 -2.144 695 HB2 ASN 81 2HB ASN 81 1.123 11.070 -3.067 696 HB3 ASN 81 1HB ASN 81 1.901 11.701 -1.627 697 HD21 ASN 81 1HD2 ASN 81 1.753 13.809 -2.245 698 HD22 ASN 81 2HD2 ASN 81 2.663 14.499 -3.536 699 H VAL 82 H VAL 82 1.041 8.636 -3.204 700 HA VAL 82 HA VAL 82 0.227 7.850 -0.630 701 HB VAL 82 HB VAL 82 -0.366 6.338 -3.194 702 HG11 VAL 82 1HG1 VAL 82 -0.968 5.117 -1.177 703 HG12 VAL 82 2HG1 VAL 82 -2.438 5.691 -1.987 704 HG13 VAL 82 3HG1 VAL 82 -1.833 6.522 -0.564 705 HG21 VAL 82 3HG2 VAL 82 -2.395 7.688 -3.347 706 HG22 VAL 82 1HG2 VAL 82 -0.946 8.682 -3.473 707 HG23 VAL 82 2HG2 VAL 82 -1.861 8.646 -1.965 708 H ASN 83 H ASN 83 2.223 6.222 -3.063 709 HA ASN 83 HA ASN 83 2.599 3.798 -1.749 710 HB2 ASN 83 2HB ASN 83 4.538 5.285 -3.547 711 HB3 ASN 83 1HB ASN 83 4.817 3.651 -2.968 712 HD21 ASN 83 1HD2 ASN 83 4.651 4.453 -5.732 713 HD22 ASN 83 2HD2 ASN 83 3.273 3.641 -6.364 714 H GLN 84 H GLN 84 4.387 6.777 -1.450 715 HA GLN 84 HA GLN 84 6.333 5.832 0.389 716 HB2 GLN 84 2HB GLN 84 6.207 8.033 -1.064 717 HB3 GLN 84 1HB GLN 84 5.393 8.686 0.339 718 HG2 GLN 84 2HG GLN 84 8.203 7.569 0.282 719 HG3 GLN 84 1HG GLN 84 7.775 9.269 0.277 720 HE21 GLN 84 1HE2 GLN 84 8.180 6.430 2.159 721 HE22 GLN 84 2HE2 GLN 84 7.965 7.142 3.712 722 H LEU 85 H LEU 85 3.168 7.384 0.769 723 HA LEU 85 HA LEU 85 3.270 7.577 3.577 724 HB2 LEU 85 2HB LEU 85 0.870 7.450 1.756 725 HB3 LEU 85 1HB LEU 85 0.805 7.867 3.457 726 HG LEU 85 HG LEU 85 2.208 9.449 1.303 727 HD11 LEU 85 1HD1 LEU 85 0.496 11.131 1.728 728 HD12 LEU 85 2HD1 LEU 85 -0.294 10.040 2.864 729 HD13 LEU 85 3HD1 LEU 85 -0.207 9.619 1.157 730 HD21 LEU 85 3HD2 LEU 85 1.905 10.009 4.257 731 HD22 LEU 85 1HD2 LEU 85 2.534 11.146 3.063 732 HD23 LEU 85 2HD2 LEU 85 3.407 9.658 3.396 733 H ILE 86 H ILE 86 2.058 5.028 1.449 734 HA ILE 86 HA ILE 86 1.013 3.366 3.477 735 HB ILE 86 HB ILE 86 2.186 2.590 0.780 736 HG12 ILE 86 2HG1 ILE 86 0.255 4.063 0.540 737 HG13 ILE 86 1HG1 ILE 86 -0.157 2.434 0.022 738 HG21 ILE 86 1HG2 ILE 86 2.179 0.649 2.239 739 HG22 ILE 86 2HG2 ILE 86 0.949 0.473 0.987 740 HG23 ILE 86 3HG2 ILE 86 0.479 0.919 2.626 741 HD11 ILE 86 3HD1 ILE 86 -0.923 3.716 2.645 742 HD12 ILE 86 1HD1 ILE 86 -1.311 2.065 2.158 743 HD13 ILE 86 2HD1 ILE 86 -1.977 3.429 1.263 744 H LEU 87 H LEU 87 4.210 3.565 1.993 745 HA LEU 87 HA LEU 87 5.450 1.524 3.447 746 HB2 LEU 87 2HB LEU 87 6.609 4.079 2.347 747 HB3 LEU 87 1HB LEU 87 7.579 2.777 2.992 748 HG LEU 87 HG LEU 87 5.786 2.619 0.577 749 HD11 LEU 87 1HD1 LEU 87 7.806 3.930 0.176 750 HD12 LEU 87 2HD1 LEU 87 7.883 2.381 -0.664 751 HD13 LEU 87 3HD1 LEU 87 8.792 2.620 0.825 752 HD21 LEU 87 3HD2 LEU 87 7.605 0.557 1.823 753 HD22 LEU 87 1HD2 LEU 87 6.827 0.400 0.248 754 HD23 LEU 87 2HD2 LEU 87 5.844 0.479 1.702 755 H THR 88 H THR 88 5.092 4.931 4.184 756 HA THR 88 HA THR 88 6.506 4.954 6.608 757 HB THR 88 HB THR 88 4.184 6.701 5.734 758 HG1 THR 88 1HG THR 88 5.798 6.920 4.265 759 HG21 THR 88 3HG2 THR 88 4.625 6.906 8.151 760 HG22 THR 88 1HG2 THR 88 5.113 8.371 7.300 761 HG23 THR 88 2HG2 THR 88 6.330 7.204 7.819 762 H THR 89 H THR 89 3.214 4.061 5.857 763 HA THR 89 HA THR 89 2.220 4.002 8.502 764 HB THR 89 HB THR 89 1.201 2.681 5.975 765 HG1 THR 89 1HG THR 89 1.264 4.871 5.686 766 HG21 THR 89 3HG2 THR 89 -0.979 2.720 7.101 767 HG22 THR 89 1HG2 THR 89 -0.219 3.379 8.550 768 HG23 THR 89 2HG2 THR 89 0.172 1.743 8.013 769 H ILE 90 H ILE 90 3.829 1.629 6.463 770 HA ILE 90 HA ILE 90 3.351 -0.393 8.496 771 HB ILE 90 HB ILE 90 4.500 -1.972 6.987 772 HG12 ILE 90 2HG1 ILE 90 4.583 0.359 5.067 773 HG13 ILE 90 1HG1 ILE 90 5.981 -0.327 5.882 774 HG21 ILE 90 1HG2 ILE 90 2.082 -1.703 6.885 775 HG22 ILE 90 2HG2 ILE 90 2.745 -2.036 5.287 776 HG23 ILE 90 3HG2 ILE 90 2.262 -0.394 5.715 777 HD11 ILE 90 3HD1 ILE 90 5.627 -2.418 4.741 778 HD12 ILE 90 1HD1 ILE 90 5.796 -1.082 3.595 779 HD13 ILE 90 2HD1 ILE 90 4.191 -1.756 3.955 780 H LYS 91 H LYS 91 5.476 1.986 8.018 781 HA LYS 91 HA LYS 91 7.857 0.724 8.923 782 HB2 LYS 91 2HB LYS 91 7.135 3.622 8.661 783 HB3 LYS 91 1HB LYS 91 8.621 3.148 9.452 784 HG2 LYS 91 2HG LYS 91 7.840 2.488 6.613 785 HG3 LYS 91 1HG LYS 91 8.972 3.745 7.106 786 HD2 LYS 91 2HD LYS 91 9.328 0.773 7.585 787 HD3 LYS 91 1HD LYS 91 10.123 1.722 6.341 788 HE2 LYS 91 2HE LYS 91 11.229 3.074 8.032 789 HE3 LYS 91 1HE LYS 91 10.394 2.205 9.308 790 HZ1 LYS 91 3HZ LYS 91 12.318 1.008 7.395 791 HZ2 LYS 91 1HZ LYS 91 11.531 0.195 8.642 792 HZ3 LYS 91 2HZ LYS 91 12.652 1.411 8.992 793 H LEU 92 H LEU 92 6.677 -0.383 10.526 794 HA LEU 92 HA LEU 92 7.262 0.833 13.114 795 HB2 LEU 92 2HB LEU 92 4.999 -1.074 12.408 796 HB3 LEU 92 1HB LEU 92 5.575 -0.862 14.038 797 HG LEU 92 HG LEU 92 3.552 0.327 13.835 798 HD11 LEU 92 1HD1 LEU 92 5.797 2.300 13.749 799 HD12 LEU 92 2HD1 LEU 92 5.187 1.435 15.159 800 HD13 LEU 92 3HD1 LEU 92 4.164 2.612 14.336 801 HD21 LEU 92 3HD2 LEU 92 3.154 2.112 12.201 802 HD22 LEU 92 1HD2 LEU 92 3.396 0.548 11.423 803 HD23 LEU 92 2HD2 LEU 92 4.696 1.740 11.433 804 H GLU 93 H GLU 93 8.838 -0.290 14.036 805 HA GLU 93 HA GLU 93 9.934 -2.497 12.721 806 HB2 GLU 93 2HB GLU 93 11.349 -1.061 14.072 807 HB3 GLU 93 1HB GLU 93 10.434 -1.457 15.520 808 HG2 GLU 93 2HG GLU 93 11.262 -3.685 15.529 809 HG3 GLU 93 1HG GLU 93 11.946 -3.504 13.925 810 H HIS 94 H HIS 94 9.952 -4.651 13.239 811 HA HIS 94 HA HIS 94 7.532 -5.661 14.452 812 HB2 HIS 94 2HB HIS 94 9.887 -7.048 13.146 813 HB3 HIS 94 1HB HIS 94 8.530 -7.926 13.816 814 HD1 HIS 94 1HD HIS 94 9.450 -7.860 10.755 815 HD2 HIS 94 2HD HIS 94 6.262 -5.778 12.420 816 HE1 HIS 94 1HE HIS 94 7.854 -7.504 8.895 817 HE2 HIS 94 2HE HIS 94 6.050 -6.029 9.854 818 H HIS 95 H HIS 95 9.170 -4.281 16.180 819 HA HIS 95 HA HIS 95 10.794 -5.850 17.929 820 HB2 HIS 95 2HB HIS 95 10.548 -3.230 17.527 821 HB3 HIS 95 1HB HIS 95 9.285 -3.373 18.733 822 HD1 HIS 95 1HD HIS 95 12.852 -3.024 18.269 823 HD2 HIS 95 2HD HIS 95 10.310 -4.181 21.341 824 HE1 HIS 95 1HE HIS 95 14.229 -2.891 20.374 825 HE2 HIS 95 2HE HIS 95 12.576 -3.316 22.221 826 H HIS 96 H HIS 96 9.880 -7.474 19.119 827 HA HIS 96 HA HIS 96 8.337 -8.885 19.981 828 HB2 HIS 96 2HB HIS 96 6.976 -6.293 20.809 829 HB3 HIS 96 1HB HIS 96 6.239 -7.854 21.132 830 HD1 HIS 96 1HD HIS 96 6.728 -8.714 23.400 831 HD2 HIS 96 2HD HIS 96 9.725 -6.183 22.044 832 HE1 HIS 96 1HE HIS 96 8.310 -8.456 25.320 833 HE2 HIS 96 2HE HIS 96 9.869 -6.652 24.565 834 H HIS 97 H HIS 97 7.782 -9.915 18.215 835 HA HIS 97 HA HIS 97 5.798 -8.631 16.487 836 HB2 HIS 97 2HB HIS 97 6.670 -9.995 14.606 837 HB3 HIS 97 1HB HIS 97 7.866 -8.929 15.323 838 HD1 HIS 97 1HD HIS 97 7.373 -12.388 14.265 839 HD2 HIS 97 2HD HIS 97 9.790 -10.407 17.012 840 HE1 HIS 97 1HE HIS 97 9.230 -13.961 14.791 841 HE2 HIS 97 2HE HIS 97 10.844 -12.557 16.048 842 H HIS 98 H HIS 98 3.868 -9.387 16.402 843 HA HIS 98 HA HIS 98 3.188 -11.955 17.524 844 HB2 HIS 98 2HB HIS 98 1.729 -9.867 17.642 845 HB3 HIS 98 1HB HIS 98 1.395 -10.087 15.931 846 HD1 HIS 98 1HD HIS 98 0.492 -11.357 19.314 847 HD2 HIS 98 2HD HIS 98 -0.356 -12.280 15.355 848 HE1 HIS 98 1HE HIS 98 -1.471 -12.889 19.386 849 HE2 HIS 98 2HE HIS 98 -1.872 -13.555 16.994 850 H HIS 99 H HIS 99 4.156 -10.791 14.555 851 HA HIS 99 HA HIS 99 3.875 -13.414 13.345 852 HB2 HIS 99 2HB HIS 99 2.119 -11.920 12.299 853 HB3 HIS 99 1HB HIS 99 3.400 -10.792 11.863 854 HD1 HIS 99 1HD HIS 99 4.344 -11.129 9.494 855 HD2 HIS 99 2HD HIS 99 2.554 -14.570 11.020 856 HE1 HIS 99 1HE HIS 99 4.342 -12.759 7.643 857 HE2 HIS 99 2HE HIS 99 3.513 -14.892 8.657 Start of MODEL 15 1 H1 MET 1 1HT MET 1 1.740 14.879 1.715 2 H2 MET 1 2HT MET 1 0.692 15.628 2.792 3 H3 MET 1 3HT MET 1 0.102 14.483 1.704 4 HA MET 1 HA MET 1 1.418 12.769 2.748 5 HB2 MET 1 2HB MET 1 2.076 14.922 4.770 6 HB3 MET 1 1HB MET 1 2.478 13.224 4.928 7 HG2 MET 1 2HG MET 1 3.557 15.150 2.883 8 HG3 MET 1 1HG MET 1 4.413 14.491 4.268 9 HE1 MET 1 2HE MET 1 6.223 12.773 1.273 10 HE2 MET 1 3HE MET 1 6.413 13.748 2.729 11 HE3 MET 1 1HE MET 1 5.583 14.416 1.325 12 H SER 2 H SER 2 -1.124 14.937 3.360 13 HA SER 2 HA SER 2 -2.072 13.766 5.753 14 HB2 SER 2 2HB SER 2 -3.485 15.458 3.672 15 HB3 SER 2 1HB SER 2 -4.009 15.190 5.335 16 HG SER 2 HG SER 2 -2.843 16.813 5.829 17 H ILE 3 H ILE 3 -2.683 11.709 5.703 18 HA ILE 3 HA ILE 3 -4.546 10.853 3.636 19 HB ILE 3 HB ILE 3 -2.286 10.227 2.848 20 HG12 ILE 3 2HG1 ILE 3 -3.844 7.762 3.660 21 HG13 ILE 3 1HG1 ILE 3 -4.303 8.801 2.320 22 HG21 ILE 3 1HG2 ILE 3 -1.133 9.973 4.925 23 HG22 ILE 3 2HG2 ILE 3 -1.046 8.436 4.053 24 HG23 ILE 3 3HG2 ILE 3 -2.173 8.630 5.388 25 HD11 ILE 3 3HD1 ILE 3 -3.124 6.817 1.549 26 HD12 ILE 3 1HD1 ILE 3 -1.742 7.230 2.563 27 HD13 ILE 3 2HD1 ILE 3 -2.183 8.269 1.206 28 H LEU 4 H LEU 4 -3.520 10.865 6.912 29 HA LEU 4 HA LEU 4 -4.701 8.475 7.817 30 HB2 LEU 4 2HB LEU 4 -3.997 11.054 9.200 31 HB3 LEU 4 1HB LEU 4 -4.828 9.779 10.053 32 HG LEU 4 HG LEU 4 -2.141 9.379 8.731 33 HD11 LEU 4 1HD1 LEU 4 -1.962 11.086 10.474 34 HD12 LEU 4 2HD1 LEU 4 -1.211 9.579 10.992 35 HD13 LEU 4 3HD1 LEU 4 -2.802 10.027 11.607 36 HD21 LEU 4 3HD2 LEU 4 -3.644 7.818 10.825 37 HD22 LEU 4 1HD2 LEU 4 -2.048 7.431 10.193 38 HD23 LEU 4 2HD2 LEU 4 -3.459 7.347 9.139 39 H GLU 5 H GLU 5 -6.092 11.176 6.539 40 HA GLU 5 HA GLU 5 -8.505 11.458 7.927 41 HB2 GLU 5 2HB GLU 5 -8.041 11.860 4.984 42 HB3 GLU 5 1HB GLU 5 -9.189 12.692 6.024 43 HG2 GLU 5 2HG GLU 5 -6.194 12.938 6.098 44 HG3 GLU 5 1HG GLU 5 -7.317 14.136 5.488 45 H ASP 6 H ASP 6 -7.285 9.123 5.670 46 HA ASP 6 HA ASP 6 -9.817 8.319 4.618 47 HB2 ASP 6 2HB ASP 6 -7.641 8.106 3.378 48 HB3 ASP 6 1HB ASP 6 -7.216 6.811 4.484 49 HA PRO 7 HA PRO 7 -10.911 5.717 8.071 50 HB2 PRO 7 2HB PRO 7 -12.687 4.400 6.108 51 HB3 PRO 7 1HB PRO 7 -13.083 5.166 7.650 52 HG2 PRO 7 2HG PRO 7 -13.708 6.354 5.346 53 HG3 PRO 7 1HG PRO 7 -13.140 7.292 6.739 54 HD2 PRO 7 2HD PRO 7 -11.645 6.457 4.289 55 HD3 PRO 7 1HD PRO 7 -11.632 7.997 5.177 56 H GLU 8 H GLU 8 -10.114 4.324 4.874 57 HA GLU 8 HA GLU 8 -9.877 1.690 6.005 58 HB2 GLU 8 2HB GLU 8 -8.888 2.638 3.308 59 HB3 GLU 8 1HB GLU 8 -9.132 0.970 3.813 60 HG2 GLU 8 2HG GLU 8 -11.181 3.071 3.231 61 HG3 GLU 8 1HG GLU 8 -10.929 1.536 2.410 62 H PHE 9 H PHE 9 -7.864 4.335 5.187 63 HA PHE 9 HA PHE 9 -5.350 3.094 5.476 64 HB2 PHE 9 2HB PHE 9 -5.717 5.313 4.404 65 HB3 PHE 9 1HB PHE 9 -6.030 5.989 6.000 66 HD1 PHE 9 1HD PHE 9 -3.492 4.629 3.756 67 HD2 PHE 9 2HD PHE 9 -4.260 6.407 7.522 68 HE1 PHE 9 1HE PHE 9 -1.092 5.071 4.027 69 HE2 PHE 9 2HE PHE 9 -1.868 6.856 7.812 70 HZ PHE 9 HZ PHE 9 -0.278 6.189 6.059 71 H VAL 10 H VAL 10 -7.404 4.753 7.799 72 HA VAL 10 HA VAL 10 -5.560 4.431 9.904 73 HB VAL 10 HB VAL 10 -7.457 6.100 9.967 74 HG11 VAL 10 1HG1 VAL 10 -9.621 5.435 10.858 75 HG12 VAL 10 2HG1 VAL 10 -9.139 3.744 10.734 76 HG13 VAL 10 3HG1 VAL 10 -9.291 4.724 9.278 77 HG21 VAL 10 3HG2 VAL 10 -7.804 5.957 12.401 78 HG22 VAL 10 1HG2 VAL 10 -6.127 5.692 11.924 79 HG23 VAL 10 2HG2 VAL 10 -7.140 4.322 12.376 80 H LYS 11 H LYS 11 -8.079 2.357 8.641 81 HA LYS 11 HA LYS 11 -8.015 0.368 10.635 82 HB2 LYS 11 2HB LYS 11 -8.432 0.016 7.658 83 HB3 LYS 11 1HB LYS 11 -8.781 -1.198 8.876 84 HG2 LYS 11 2HG LYS 11 -10.512 0.203 9.816 85 HG3 LYS 11 1HG LYS 11 -10.113 1.488 8.670 86 HD2 LYS 11 2HD LYS 11 -10.654 -0.087 6.816 87 HD3 LYS 11 1HD LYS 11 -11.191 -1.250 8.022 88 HE2 LYS 11 2HE LYS 11 -12.898 0.281 8.794 89 HE3 LYS 11 1HE LYS 11 -12.318 1.519 7.682 90 HZ1 LYS 11 3HZ LYS 11 -13.523 -1.087 6.898 91 HZ2 LYS 11 1HZ LYS 11 -12.899 0.087 5.837 92 HZ3 LYS 11 2HZ LYS 11 -14.238 0.434 6.800 93 H LEU 12 H LEU 12 -6.049 0.844 7.726 94 HA LEU 12 HA LEU 12 -4.389 -1.400 7.870 95 HB2 LEU 12 2HB LEU 12 -3.683 1.387 6.958 96 HB3 LEU 12 1HB LEU 12 -2.694 -0.024 6.693 97 HG LEU 12 HG LEU 12 -5.478 0.316 5.582 98 HD11 LEU 12 1HD1 LEU 12 -3.906 1.961 4.657 99 HD12 LEU 12 2HD1 LEU 12 -4.330 0.718 3.476 100 HD13 LEU 12 3HD1 LEU 12 -2.775 0.658 4.302 101 HD21 LEU 12 3HD2 LEU 12 -4.875 -1.568 4.193 102 HD22 LEU 12 1HD2 LEU 12 -4.721 -2.017 5.892 103 HD23 LEU 12 2HD2 LEU 12 -3.282 -1.643 4.943 104 H ARG 13 H ARG 13 -4.052 1.720 9.408 105 HA ARG 13 HA ARG 13 -1.565 1.361 10.672 106 HB2 ARG 13 2HB ARG 13 -3.965 3.018 11.429 107 HB3 ARG 13 1HB ARG 13 -2.471 3.051 12.352 108 HG2 ARG 13 2HG ARG 13 -2.646 3.721 9.421 109 HG3 ARG 13 1HG ARG 13 -2.746 4.923 10.714 110 HD2 ARG 13 2HD ARG 13 -0.548 4.160 11.531 111 HD3 ARG 13 1HD ARG 13 -0.429 3.061 10.167 112 HE ARG 13 HE ARG 13 -0.810 5.403 8.953 113 HH11 ARG 13 1HH1 ARG 13 1.364 4.467 11.573 114 HH12 ARG 13 2HH1 ARG 13 2.606 5.539 11.184 115 HH21 ARG 13 1HH2 ARG 13 0.903 6.993 8.389 116 HH22 ARG 13 2HH2 ARG 13 2.317 7.035 9.325 117 H GLN 14 H GLN 14 -4.788 0.475 11.674 118 HA GLN 14 HA GLN 14 -4.006 -0.454 14.284 119 HB2 GLN 14 2HB GLN 14 -6.578 -0.781 12.738 120 HB3 GLN 14 1HB GLN 14 -6.352 -1.193 14.431 121 HG2 GLN 14 2HG GLN 14 -6.041 1.100 15.019 122 HG3 GLN 14 1HG GLN 14 -5.984 1.581 13.325 123 HE21 GLN 14 1HE2 GLN 14 -7.847 1.669 12.168 124 HE22 GLN 14 2HE2 GLN 14 -9.431 1.646 12.872 125 H PHE 15 H PHE 15 -4.498 -1.799 11.138 126 HA PHE 15 HA PHE 15 -4.737 -4.543 11.946 127 HB2 PHE 15 2HB PHE 15 -5.911 -3.656 9.996 128 HB3 PHE 15 1HB PHE 15 -4.380 -3.271 9.230 129 HD1 PHE 15 2HD PHE 15 -6.470 -6.080 10.439 130 HD2 PHE 15 1HD PHE 15 -3.299 -4.855 7.881 131 HE1 PHE 15 2HE PHE 15 -6.500 -8.285 9.345 132 HE2 PHE 15 1HE PHE 15 -3.330 -7.057 6.784 133 HZ PHE 15 HZ PHE 15 -4.928 -8.772 7.517 134 H LYS 16 H LYS 16 -2.224 -2.597 10.372 135 HA LYS 16 HA LYS 16 0.012 -2.863 10.025 136 HB2 LYS 16 2HB LYS 16 0.205 -3.343 12.443 137 HB3 LYS 16 1HB LYS 16 -0.175 -5.031 12.149 138 HG2 LYS 16 2HG LYS 16 1.896 -5.198 10.765 139 HG3 LYS 16 1HG LYS 16 2.291 -3.548 11.231 140 HD2 LYS 16 2HD LYS 16 1.933 -5.866 13.142 141 HD3 LYS 16 1HD LYS 16 3.484 -5.240 12.588 142 HE2 LYS 16 2HE LYS 16 2.944 -3.066 13.606 143 HE3 LYS 16 1HE LYS 16 1.417 -3.720 14.177 144 HZ1 LYS 16 3HZ LYS 16 2.678 -5.356 15.485 145 HZ2 LYS 16 1HZ LYS 16 3.029 -3.784 15.928 146 HZ3 LYS 16 2HZ LYS 16 4.126 -4.647 15.007 147 H GLY 17 H GLY 17 1.168 -3.701 8.529 148 HA2 GLY 17 2HA GLY 17 0.125 -6.098 7.300 149 HA3 GLY 17 1HA GLY 17 1.238 -4.951 6.534 150 H LYS 18 H LYS 18 0.958 -7.933 7.883 151 HA LYS 18 HA LYS 18 3.661 -8.103 8.915 152 HB2 LYS 18 2HB LYS 18 1.396 -10.116 8.722 153 HB3 LYS 18 1HB LYS 18 2.985 -10.511 9.353 154 HG2 LYS 18 2HG LYS 18 1.681 -10.100 11.290 155 HG3 LYS 18 1HG LYS 18 2.627 -8.640 10.988 156 HD2 LYS 18 2HD LYS 18 0.415 -7.930 11.607 157 HD3 LYS 18 1HD LYS 18 0.674 -7.615 9.909 158 HE2 LYS 18 2HE LYS 18 -0.606 -9.554 9.277 159 HE3 LYS 18 1HE LYS 18 -0.790 -10.022 10.968 160 HZ1 LYS 18 3HZ LYS 18 -2.717 -8.883 9.990 161 HZ2 LYS 18 1HZ LYS 18 -1.797 -7.471 9.839 162 HZ3 LYS 18 2HZ LYS 18 -2.117 -8.116 11.375 163 H VAL 19 H VAL 19 3.220 -7.452 6.271 164 HA VAL 19 HA VAL 19 4.002 -9.752 4.668 165 HB VAL 19 HB VAL 19 3.586 -8.149 2.745 166 HG11 VAL 19 1HG1 VAL 19 1.899 -9.774 3.416 167 HG12 VAL 19 2HG1 VAL 19 1.135 -8.234 2.981 168 HG13 VAL 19 3HG1 VAL 19 1.332 -8.673 4.671 169 HG21 VAL 19 3HG2 VAL 19 3.864 -6.080 4.003 170 HG22 VAL 19 1HG2 VAL 19 2.421 -6.449 4.949 171 HG23 VAL 19 2HG2 VAL 19 2.287 -6.144 3.215 172 H ASN 20 H ASN 20 5.794 -9.447 3.160 173 HA ASN 20 HA ASN 20 8.068 -8.353 4.457 174 HB2 ASN 20 2HB ASN 20 8.095 -10.254 2.704 175 HB3 ASN 20 1HB ASN 20 7.901 -8.957 1.524 176 HD21 ASN 20 1HD2 ASN 20 10.094 -10.825 1.831 177 HD22 ASN 20 2HD2 ASN 20 11.512 -9.862 2.008 178 H PHE 21 H PHE 21 8.773 -6.377 4.476 179 HA PHE 21 HA PHE 21 7.540 -4.146 3.399 180 HB2 PHE 21 2HB PHE 21 9.060 -3.952 5.263 181 HB3 PHE 21 1HB PHE 21 10.399 -4.548 4.294 182 HD1 PHE 21 2HD PHE 21 8.078 -1.708 4.734 183 HD2 PHE 21 1HD PHE 21 11.689 -3.085 2.960 184 HE1 PHE 21 2HE PHE 21 8.631 0.586 4.074 185 HE2 PHE 21 1HE PHE 21 12.247 -0.792 2.291 186 HZ PHE 21 HZ PHE 21 10.716 1.047 2.839 187 H ASN 22 H ASN 22 10.069 -6.175 2.074 188 HA ASN 22 HA ASN 22 10.865 -4.374 -0.004 189 HB2 ASN 22 2HB ASN 22 11.236 -7.363 0.196 190 HB3 ASN 22 1HB ASN 22 11.940 -6.361 -1.065 191 HD21 ASN 22 1HD2 ASN 22 13.218 -8.053 0.843 192 HD22 ASN 22 2HD2 ASN 22 14.298 -7.063 1.761 193 H LEU 23 H LEU 23 8.509 -6.905 0.303 194 HA LEU 23 HA LEU 23 8.058 -6.907 -2.499 195 HB2 LEU 23 2HB LEU 23 7.779 -8.972 -1.236 196 HB3 LEU 23 1HB LEU 23 6.484 -8.246 -0.306 197 HG LEU 23 HG LEU 23 5.030 -8.202 -2.241 198 HD11 LEU 23 1HD1 LEU 23 7.401 -9.260 -3.792 199 HD12 LEU 23 2HD1 LEU 23 6.662 -7.667 -3.976 200 HD13 LEU 23 3HD1 LEU 23 5.757 -9.113 -4.408 201 HD21 LEU 23 3HD2 LEU 23 4.854 -10.582 -2.699 202 HD22 LEU 23 1HD2 LEU 23 5.179 -10.290 -0.991 203 HD23 LEU 23 2HD2 LEU 23 6.476 -10.833 -2.056 204 H VAL 24 H VAL 24 6.481 -5.537 0.342 205 HA VAL 24 HA VAL 24 4.230 -4.433 -0.938 206 HB VAL 24 HB VAL 24 5.831 -3.120 1.279 207 HG11 VAL 24 1HG1 VAL 24 4.242 -1.583 0.246 208 HG12 VAL 24 2HG1 VAL 24 3.722 -2.013 1.878 209 HG13 VAL 24 3HG1 VAL 24 2.942 -2.753 0.479 210 HG21 VAL 24 3HG2 VAL 24 3.528 -5.034 1.432 211 HG22 VAL 24 1HG2 VAL 24 4.264 -4.196 2.796 212 HG23 VAL 24 2HG2 VAL 24 5.203 -5.369 1.873 213 H MET 25 H MET 25 7.438 -3.080 -0.425 214 HA MET 25 HA MET 25 7.119 -0.668 -1.786 215 HB2 MET 25 2HB MET 25 9.009 -1.044 -0.368 216 HB3 MET 25 1HB MET 25 9.554 -2.400 -1.326 217 HG2 MET 25 2HG MET 25 10.036 -0.864 -3.182 218 HG3 MET 25 1HG MET 25 9.526 0.494 -2.175 219 HE1 MET 25 3HE MET 25 11.530 -2.678 -0.880 220 HE2 MET 25 1HE MET 25 13.176 -2.182 -1.247 221 HE3 MET 25 2HE MET 25 12.028 -2.477 -2.559 222 H GLN 26 H GLN 26 8.025 -3.860 -2.956 223 HA GLN 26 HA GLN 26 8.471 -3.037 -5.630 224 HB2 GLN 26 2HB GLN 26 9.509 -5.063 -4.767 225 HB3 GLN 26 1HB GLN 26 7.933 -5.780 -4.478 226 HG2 GLN 26 2HG GLN 26 7.505 -5.874 -6.855 227 HG3 GLN 26 1HG GLN 26 9.024 -5.044 -7.184 228 HE21 GLN 26 1HE2 GLN 26 9.772 -6.720 -8.431 229 HE22 GLN 26 2HE2 GLN 26 10.288 -8.215 -7.778 230 H ILE 27 H ILE 27 5.633 -4.280 -3.927 231 HA ILE 27 HA ILE 27 3.896 -4.638 -6.109 232 HB ILE 27 HB ILE 27 3.195 -3.589 -3.340 233 HG12 ILE 27 2HG1 ILE 27 4.234 -5.801 -3.177 234 HG13 ILE 27 1HG1 ILE 27 2.532 -5.894 -2.762 235 HG21 ILE 27 1HG2 ILE 27 1.345 -4.772 -5.398 236 HG22 ILE 27 2HG2 ILE 27 1.404 -3.091 -4.866 237 HG23 ILE 27 3HG2 ILE 27 0.906 -4.356 -3.740 238 HD11 ILE 27 3HD1 ILE 27 3.242 -7.799 -4.075 239 HD12 ILE 27 1HD1 ILE 27 3.768 -6.731 -5.376 240 HD13 ILE 27 2HD1 ILE 27 2.055 -6.838 -4.953 241 H LEU 28 H LEU 28 4.444 -1.836 -4.054 242 HA LEU 28 HA LEU 28 2.767 0.018 -5.315 243 HB2 LEU 28 2HB LEU 28 5.340 0.472 -3.815 244 HB3 LEU 28 1HB LEU 28 4.127 1.692 -4.150 245 HG LEU 28 HG LEU 28 3.652 -0.750 -2.436 246 HD11 LEU 28 1HD1 LEU 28 3.744 0.784 -0.546 247 HD12 LEU 28 2HD1 LEU 28 4.200 2.096 -1.634 248 HD13 LEU 28 3HD1 LEU 28 5.283 0.723 -1.406 249 HD21 LEU 28 3HD2 LEU 28 2.021 1.747 -2.861 250 HD22 LEU 28 1HD2 LEU 28 1.638 0.452 -1.731 251 HD23 LEU 28 2HD2 LEU 28 1.618 0.138 -3.465 252 H ASP 29 H ASP 29 6.083 -0.866 -5.854 253 HA ASP 29 HA ASP 29 6.777 1.157 -7.753 254 HB2 ASP 29 2HB ASP 29 8.317 -0.316 -6.342 255 HB3 ASP 29 1HB ASP 29 7.928 -1.583 -7.454 256 H GLU 30 H GLU 30 5.828 -2.199 -8.013 257 HA GLU 30 HA GLU 30 6.099 -2.429 -10.811 258 HB2 GLU 30 2HB GLU 30 5.828 -4.294 -8.957 259 HB3 GLU 30 1HB GLU 30 4.115 -4.121 -9.322 260 HG2 GLU 30 2HG GLU 30 4.573 -4.657 -11.682 261 HG3 GLU 30 1HG GLU 30 6.277 -4.862 -11.271 262 H ILE 31 H ILE 31 3.250 -1.691 -8.783 263 HA ILE 31 HA ILE 31 1.489 -1.463 -11.018 264 HB ILE 31 HB ILE 31 -0.100 -0.308 -9.520 265 HG12 ILE 31 2HG1 ILE 31 2.108 -0.406 -7.452 266 HG13 ILE 31 1HG1 ILE 31 1.506 1.049 -8.231 267 HG21 ILE 31 1HG2 ILE 31 -0.066 -2.714 -9.447 268 HG22 ILE 31 2HG2 ILE 31 -0.388 -2.070 -7.832 269 HG23 ILE 31 3HG2 ILE 31 1.207 -2.680 -8.228 270 HD11 ILE 31 3HD1 ILE 31 -0.048 -0.765 -6.417 271 HD12 ILE 31 1HD1 ILE 31 -0.669 0.695 -7.185 272 HD13 ILE 31 2HD1 ILE 31 0.631 0.808 -5.989 273 H GLU 32 H GLU 32 3.546 0.802 -9.302 274 HA GLU 32 HA GLU 32 2.675 3.194 -10.417 275 HB2 GLU 32 2HB GLU 32 4.162 3.201 -8.544 276 HB3 GLU 32 1HB GLU 32 5.390 2.326 -9.447 277 HG2 GLU 32 2HG GLU 32 5.658 4.210 -10.922 278 HG3 GLU 32 1HG GLU 32 4.459 5.134 -10.000 279 H LEU 33 H LEU 33 5.316 1.063 -11.478 280 HA LEU 33 HA LEU 33 5.931 2.659 -13.706 281 HB2 LEU 33 2HB LEU 33 7.400 0.818 -14.449 282 HB3 LEU 33 1HB LEU 33 7.646 1.270 -12.783 283 HG LEU 33 HG LEU 33 6.168 -0.783 -12.237 284 HD11 LEU 33 1HD1 LEU 33 5.357 -1.261 -14.466 285 HD12 LEU 33 2HD1 LEU 33 6.294 -2.618 -13.842 286 HD13 LEU 33 3HD1 LEU 33 7.006 -1.527 -15.031 287 HD21 LEU 33 3HD2 LEU 33 8.141 -2.255 -12.305 288 HD22 LEU 33 1HD2 LEU 33 8.510 -0.645 -11.684 289 HD23 LEU 33 2HD2 LEU 33 8.954 -1.075 -13.332 290 H ASP 34 H ASP 34 3.654 0.109 -13.285 291 HA ASP 34 HA ASP 34 3.194 -0.252 -16.091 292 HB2 ASP 34 2HB ASP 34 2.652 -2.013 -14.417 293 HB3 ASP 34 1HB ASP 34 1.366 -0.981 -13.797 294 H LEU 35 H LEU 35 1.550 1.412 -13.482 295 HA LEU 35 HA LEU 35 -0.628 2.485 -14.843 296 HB2 LEU 35 2HB LEU 35 -0.666 2.500 -12.505 297 HB3 LEU 35 1HB LEU 35 0.897 3.268 -12.392 298 HG LEU 35 HG LEU 35 -0.136 5.367 -13.261 299 HD11 LEU 35 1HD1 LEU 35 -2.548 5.634 -13.152 300 HD12 LEU 35 2HD1 LEU 35 -2.724 3.898 -12.887 301 HD13 LEU 35 3HD1 LEU 35 -2.048 4.498 -14.400 302 HD21 LEU 35 3HD2 LEU 35 0.280 5.109 -10.910 303 HD22 LEU 35 1HD2 LEU 35 -1.234 4.231 -10.697 304 HD23 LEU 35 2HD2 LEU 35 -1.259 5.936 -11.140 305 H ARG 36 H ARG 36 2.402 4.116 -13.929 306 HA ARG 36 HA ARG 36 3.437 5.992 -14.572 307 HB2 ARG 36 2HB ARG 36 2.054 5.480 -17.212 308 HB3 ARG 36 1HB ARG 36 3.243 6.749 -16.956 309 HG2 ARG 36 2HG ARG 36 3.747 3.797 -16.614 310 HG3 ARG 36 1HG ARG 36 4.219 4.760 -18.017 311 HD2 ARG 36 2HD ARG 36 5.631 6.151 -16.598 312 HD3 ARG 36 1HD ARG 36 5.146 5.226 -15.181 313 HE ARG 36 HE ARG 36 6.309 3.715 -17.316 314 HH11 ARG 36 1HH1 ARG 36 6.909 5.497 -14.296 315 HH12 ARG 36 2HH1 ARG 36 8.340 4.669 -13.924 316 HH21 ARG 36 1HH2 ARG 36 8.338 2.598 -16.809 317 HH22 ARG 36 2HH2 ARG 36 9.183 3.003 -15.389 318 H GLY 37 H GLY 37 0.137 6.108 -15.670 319 HA2 GLY 37 2HA GLY 37 -1.073 7.891 -14.175 320 HA3 GLY 37 1HA GLY 37 -0.056 8.966 -15.145 321 H SER 38 H SER 38 -0.088 7.082 -17.368 322 HA SER 38 HA SER 38 -2.295 8.092 -18.774 323 HB2 SER 38 2HB SER 38 -1.270 6.499 -20.500 324 HB3 SER 38 1HB SER 38 -0.302 7.875 -19.946 325 HG SER 38 HG SER 38 1.029 6.167 -19.771 326 H ASP 39 H ASP 39 -1.456 4.871 -17.464 327 HA ASP 39 HA ASP 39 -3.906 3.803 -18.646 328 HB2 ASP 39 2HB ASP 39 -1.594 2.613 -18.679 329 HB3 ASP 39 1HB ASP 39 -1.943 2.189 -17.002 330 H ASN 40 H ASN 40 -4.405 1.777 -16.556 331 HA ASN 40 HA ASN 40 -5.649 3.657 -14.651 332 HB2 ASN 40 2HB ASN 40 -7.120 2.032 -16.177 333 HB3 ASN 40 1HB ASN 40 -6.563 0.853 -15.042 334 HD21 ASN 40 1HD2 ASN 40 -9.266 1.917 -15.499 335 HD22 ASN 40 2HD2 ASN 40 -9.799 2.485 -13.968 336 H ILE 41 H ILE 41 -5.072 3.488 -12.620 337 HA ILE 41 HA ILE 41 -2.953 1.812 -11.855 338 HB ILE 41 HB ILE 41 -3.269 3.962 -10.753 339 HG12 ILE 41 2HG1 ILE 41 -3.551 1.640 -8.822 340 HG13 ILE 41 1HG1 ILE 41 -2.052 2.198 -9.545 341 HG21 ILE 41 1HG2 ILE 41 -5.774 2.779 -9.588 342 HG22 ILE 41 2HG2 ILE 41 -5.683 4.094 -10.754 343 HG23 ILE 41 3HG2 ILE 41 -5.061 4.324 -9.117 344 HD11 ILE 41 3HD1 ILE 41 -2.312 4.330 -8.357 345 HD12 ILE 41 1HD1 ILE 41 -2.232 2.929 -7.280 346 HD13 ILE 41 2HD1 ILE 41 -3.786 3.696 -7.611 347 H LYS 42 H LYS 42 -6.436 1.446 -11.478 348 HA LYS 42 HA LYS 42 -6.201 -0.692 -9.601 349 HB2 LYS 42 2HB LYS 42 -8.555 -1.118 -9.920 350 HB3 LYS 42 1HB LYS 42 -8.295 0.619 -9.830 351 HG2 LYS 42 2HG LYS 42 -8.516 0.783 -12.240 352 HG3 LYS 42 1HG LYS 42 -8.708 -0.964 -12.345 353 HD2 LYS 42 2HD LYS 42 -10.747 -0.780 -10.941 354 HD3 LYS 42 1HD LYS 42 -10.570 0.978 -10.969 355 HE2 LYS 42 2HE LYS 42 -10.709 0.930 -13.426 356 HE3 LYS 42 1HE LYS 42 -10.938 -0.811 -13.363 357 HZ1 LYS 42 3HZ LYS 42 -12.758 1.231 -12.233 358 HZ2 LYS 42 1HZ LYS 42 -12.999 -0.443 -12.137 359 HZ3 LYS 42 2HZ LYS 42 -13.004 0.339 -13.633 360 H THR 43 H THR 43 -6.111 -0.440 -13.009 361 HA THR 43 HA THR 43 -6.440 -3.160 -13.579 362 HB THR 43 HB THR 43 -5.010 -1.070 -15.237 363 HG1 THR 43 1HG THR 43 -7.098 -0.806 -16.148 364 HG21 THR 43 3HG2 THR 43 -6.452 -3.624 -15.999 365 HG22 THR 43 1HG2 THR 43 -4.704 -3.401 -15.996 366 HG23 THR 43 2HG2 THR 43 -5.706 -2.487 -17.119 367 H SER 44 H SER 44 -3.635 -0.985 -13.148 368 HA SER 44 HA SER 44 -1.596 -2.798 -13.493 369 HB2 SER 44 2HB SER 44 -1.703 -0.412 -11.637 370 HB3 SER 44 1HB SER 44 -0.242 -1.167 -12.280 371 HG SER 44 HG SER 44 -1.020 -0.646 -14.390 372 H ILE 45 H ILE 45 -3.475 -1.949 -10.626 373 HA ILE 45 HA ILE 45 -2.309 -3.425 -8.593 374 HB ILE 45 HB ILE 45 -5.235 -2.894 -9.178 375 HG12 ILE 45 2HG1 ILE 45 -3.856 -0.900 -8.685 376 HG13 ILE 45 1HG1 ILE 45 -5.119 -1.163 -7.491 377 HG21 ILE 45 1HG2 ILE 45 -5.194 -4.848 -7.782 378 HG22 ILE 45 2HG2 ILE 45 -5.779 -3.457 -6.866 379 HG23 ILE 45 3HG2 ILE 45 -4.129 -4.035 -6.632 380 HD11 ILE 45 3HD1 ILE 45 -3.483 -2.084 -5.959 381 HD12 ILE 45 1HD1 ILE 45 -3.035 -0.454 -6.464 382 HD13 ILE 45 2HD1 ILE 45 -2.213 -1.858 -7.159 383 H ILE 46 H ILE 46 -4.629 -4.485 -11.027 384 HA ILE 46 HA ILE 46 -5.118 -7.032 -10.079 385 HB ILE 46 HB ILE 46 -5.210 -6.071 -12.949 386 HG12 ILE 46 2HG1 ILE 46 -7.392 -6.337 -10.863 387 HG13 ILE 46 1HG1 ILE 46 -6.664 -4.825 -11.393 388 HG21 ILE 46 1HG2 ILE 46 -6.681 -7.972 -13.371 389 HG22 ILE 46 2HG2 ILE 46 -6.469 -8.518 -11.709 390 HG23 ILE 46 3HG2 ILE 46 -5.098 -8.520 -12.817 391 HD11 ILE 46 3HD1 ILE 46 -8.282 -6.708 -13.095 392 HD12 ILE 46 1HD1 ILE 46 -7.558 -5.197 -13.641 393 HD13 ILE 46 2HD1 ILE 46 -8.835 -5.174 -12.425 394 H TYR 47 H TYR 47 -2.685 -6.056 -12.517 395 HA TYR 47 HA TYR 47 -1.802 -8.669 -13.120 396 HB2 TYR 47 2HB TYR 47 0.019 -6.272 -13.138 397 HB3 TYR 47 1HB TYR 47 0.147 -7.726 -14.108 398 HD1 TYR 47 1HD TYR 47 -1.963 -8.140 -15.701 399 HD2 TYR 47 2HD TYR 47 -0.765 -4.441 -14.051 400 HE1 TYR 47 1HE TYR 47 -3.158 -6.968 -17.502 401 HE2 TYR 47 2HE TYR 47 -1.927 -3.235 -15.784 402 HH TYR 47 HH TYR 47 -2.803 -3.554 -17.972 403 H VAL 48 H VAL 48 -0.722 -6.361 -10.764 404 HA VAL 48 HA VAL 48 1.578 -7.784 -9.992 405 HB VAL 48 HB VAL 48 0.109 -5.575 -8.533 406 HG11 VAL 48 1HG1 VAL 48 2.244 -5.141 -7.447 407 HG12 VAL 48 2HG1 VAL 48 2.960 -6.519 -8.278 408 HG13 VAL 48 3HG1 VAL 48 1.679 -6.773 -7.090 409 HG21 VAL 48 3HG2 VAL 48 1.769 -4.100 -9.613 410 HG22 VAL 48 1HG2 VAL 48 0.722 -4.911 -10.782 411 HG23 VAL 48 2HG2 VAL 48 2.367 -5.481 -10.522 412 H TYR 49 H TYR 49 -1.648 -7.436 -8.538 413 HA TYR 49 HA TYR 49 -1.082 -9.092 -6.327 414 HB2 TYR 49 2HB TYR 49 -3.697 -8.247 -7.568 415 HB3 TYR 49 1HB TYR 49 -3.618 -9.274 -6.147 416 HD1 TYR 49 1HD TYR 49 -1.021 -6.763 -6.225 417 HD2 TYR 49 2HD TYR 49 -5.093 -7.436 -5.204 418 HE1 TYR 49 1HE TYR 49 -0.997 -4.747 -4.825 419 HE2 TYR 49 2HE TYR 49 -5.074 -5.423 -3.794 420 HH TYR 49 HH TYR 49 -3.622 -3.956 -2.699 421 H SER 50 H SER 50 -2.373 -9.742 -9.535 422 HA SER 50 HA SER 50 -3.125 -12.415 -8.977 423 HB2 SER 50 2HB SER 50 -3.392 -12.621 -11.459 424 HB3 SER 50 1HB SER 50 -4.162 -11.180 -10.778 425 HG SER 50 HG SER 50 -2.672 -9.934 -11.560 426 H SER 51 H SER 51 -0.144 -10.969 -9.717 427 HA SER 51 HA SER 51 1.100 -13.468 -10.500 428 HB2 SER 51 2HB SER 51 1.695 -11.404 -11.687 429 HB3 SER 51 1HB SER 51 2.243 -10.693 -10.175 430 HG SER 51 HG SER 51 3.975 -11.435 -11.246 431 H HIS 52 H HIS 52 1.294 -11.084 -7.853 432 HA HIS 52 HA HIS 52 3.202 -12.812 -6.437 433 HB2 HIS 52 2HB HIS 52 2.320 -9.967 -5.818 434 HB3 HIS 52 1HB HIS 52 3.579 -10.853 -4.972 435 HD1 HIS 52 1HD HIS 52 5.894 -11.114 -6.239 436 HD2 HIS 52 2HD HIS 52 3.066 -8.848 -8.274 437 HE1 HIS 52 1HE HIS 52 7.156 -9.904 -8.034 438 HE2 HIS 52 2HE HIS 52 5.466 -8.355 -9.073 439 H LEU 53 H LEU 53 0.715 -13.791 -6.642 440 HA LEU 53 HA LEU 53 -1.365 -13.221 -4.966 441 HB2 LEU 53 2HB LEU 53 -0.364 -15.905 -5.844 442 HB3 LEU 53 1HB LEU 53 -1.877 -15.646 -5.005 443 HG LEU 53 HG LEU 53 -1.239 -14.373 -7.663 444 HD11 LEU 53 1HD1 LEU 53 -2.585 -16.158 -8.662 445 HD12 LEU 53 2HD1 LEU 53 -2.739 -16.936 -7.087 446 HD13 LEU 53 3HD1 LEU 53 -1.160 -16.827 -7.867 447 HD21 LEU 53 3HD2 LEU 53 -3.023 -13.295 -6.394 448 HD22 LEU 53 1HD2 LEU 53 -3.820 -14.855 -6.168 449 HD23 LEU 53 2HD2 LEU 53 -3.687 -14.160 -7.778 450 H ASP 54 H ASP 54 1.491 -15.085 -4.140 451 HA ASP 54 HA ASP 54 0.597 -16.428 -1.874 452 HB2 ASP 54 2HB ASP 54 2.723 -16.956 -2.876 453 HB3 ASP 54 1HB ASP 54 3.351 -15.363 -2.496 454 H GLU 55 H GLU 55 2.270 -13.286 -1.930 455 HA GLU 55 HA GLU 55 2.028 -13.024 0.907 456 HB2 GLU 55 2HB GLU 55 3.828 -11.976 -0.543 457 HB3 GLU 55 1HB GLU 55 2.620 -10.793 -1.016 458 HG2 GLU 55 2HG GLU 55 3.890 -9.816 0.724 459 HG3 GLU 55 1HG GLU 55 2.321 -10.247 1.394 460 H ILE 56 H ILE 56 0.248 -11.961 -1.873 461 HA ILE 56 HA ILE 56 -1.371 -9.975 -0.721 462 HB ILE 56 HB ILE 56 -2.166 -11.880 -2.954 463 HG12 ILE 56 2HG1 ILE 56 -0.137 -10.769 -3.738 464 HG13 ILE 56 1HG1 ILE 56 -1.514 -10.026 -4.518 465 HG21 ILE 56 1HG2 ILE 56 -4.084 -10.730 -2.071 466 HG22 ILE 56 2HG2 ILE 56 -3.712 -10.117 -3.683 467 HG23 ILE 56 3HG2 ILE 56 -3.278 -9.171 -2.259 468 HD11 ILE 56 3HD1 ILE 56 -0.043 -8.869 -2.179 469 HD12 ILE 56 1HD1 ILE 56 -1.403 -8.140 -3.031 470 HD13 ILE 56 2HD1 ILE 56 0.128 -8.391 -3.868 471 H ARG 57 H ARG 57 -1.759 -13.458 -0.973 472 HA ARG 57 HA ARG 57 -4.356 -13.423 0.127 473 HB2 ARG 57 2HB ARG 57 -2.514 -15.778 -0.247 474 HB3 ARG 57 1HB ARG 57 -4.229 -15.889 0.143 475 HG2 ARG 57 2HG ARG 57 -4.760 -14.715 -1.958 476 HG3 ARG 57 1HG ARG 57 -3.046 -14.677 -2.349 477 HD2 ARG 57 2HD ARG 57 -3.910 -16.482 -3.562 478 HD3 ARG 57 1HD ARG 57 -3.122 -17.214 -2.166 479 HE ARG 57 HE ARG 57 -5.715 -16.909 -1.387 480 HH11 ARG 57 1HH1 ARG 57 -4.106 -18.539 -4.072 481 HH12 ARG 57 2HH1 ARG 57 -5.330 -19.682 -4.322 482 HH21 ARG 57 1HH2 ARG 57 -7.446 -18.444 -1.749 483 HH22 ARG 57 2HH2 ARG 57 -7.306 -19.599 -2.994 484 H LYS 58 H LYS 58 -1.210 -13.682 1.664 485 HA LYS 58 HA LYS 58 -2.076 -14.599 4.225 486 HB2 LYS 58 2HB LYS 58 0.165 -12.706 3.513 487 HB3 LYS 58 1HB LYS 58 -0.252 -13.000 5.176 488 HG2 LYS 58 2HG LYS 58 1.653 -14.300 4.633 489 HG3 LYS 58 1HG LYS 58 0.296 -15.406 4.806 490 HD2 LYS 58 2HD LYS 58 0.183 -15.797 2.537 491 HD3 LYS 58 1HD LYS 58 1.053 -14.320 2.139 492 HE2 LYS 58 2HE LYS 58 2.219 -16.767 3.460 493 HE3 LYS 58 1HE LYS 58 2.444 -16.293 1.777 494 HZ1 LYS 58 3HZ LYS 58 3.457 -14.145 2.706 495 HZ2 LYS 58 1HZ LYS 58 4.346 -15.572 2.975 496 HZ3 LYS 58 2HZ LYS 58 3.450 -14.926 4.200 497 H ASN 59 H ASN 59 -1.715 -11.313 3.025 498 HA ASN 59 HA ASN 59 -3.411 -10.349 5.235 499 HB2 ASN 59 2HB ASN 59 -1.007 -9.023 3.942 500 HB3 ASN 59 1HB ASN 59 -2.160 -8.144 4.933 501 HD21 ASN 59 1HD2 ASN 59 0.248 -10.671 4.935 502 HD22 ASN 59 2HD2 ASN 59 0.560 -10.679 6.620 503 H LYS 60 H LYS 60 -4.858 -11.126 3.387 504 HA LYS 60 HA LYS 60 -5.175 -9.698 1.035 505 HB2 LYS 60 2HB LYS 60 -7.429 -10.609 0.893 506 HB3 LYS 60 1HB LYS 60 -6.306 -11.836 1.454 507 HG2 LYS 60 2HG LYS 60 -7.106 -11.468 3.764 508 HG3 LYS 60 1HG LYS 60 -8.273 -10.299 3.147 509 HD2 LYS 60 2HD LYS 60 -9.229 -12.083 1.722 510 HD3 LYS 60 1HD LYS 60 -8.124 -13.233 2.471 511 HE2 LYS 60 2HE LYS 60 -10.216 -13.451 3.582 512 HE3 LYS 60 1HE LYS 60 -9.131 -12.605 4.681 513 HZ1 LYS 60 3HZ LYS 60 -11.295 -11.569 4.667 514 HZ2 LYS 60 1HZ LYS 60 -11.249 -11.375 3.006 515 HZ3 LYS 60 2HZ LYS 60 -10.206 -10.485 3.981 516 H GLU 61 H GLU 61 -6.398 -8.951 4.244 517 HA GLU 61 HA GLU 61 -8.165 -6.914 3.516 518 HB2 GLU 61 2HB GLU 61 -6.615 -7.269 6.080 519 HB3 GLU 61 1HB GLU 61 -8.031 -6.257 5.842 520 HG2 GLU 61 2HG GLU 61 -7.938 -9.259 5.639 521 HG3 GLU 61 1HG GLU 61 -8.641 -8.324 6.957 522 H PHE 62 H PHE 62 -4.735 -6.953 4.266 523 HA PHE 62 HA PHE 62 -4.342 -4.156 4.385 524 HB2 PHE 62 2HB PHE 62 -2.689 -5.664 5.341 525 HB3 PHE 62 1HB PHE 62 -2.425 -6.417 3.773 526 HD1 PHE 62 1HD PHE 62 -2.025 -3.239 5.634 527 HD2 PHE 62 2HD PHE 62 -0.788 -5.596 2.317 528 HE1 PHE 62 1HE PHE 62 -0.200 -1.651 5.186 529 HE2 PHE 62 2HE PHE 62 1.038 -4.017 1.864 530 HZ PHE 62 HZ PHE 62 1.334 -2.038 3.300 531 H TYR 63 H TYR 63 -3.837 -6.538 1.822 532 HA TYR 63 HA TYR 63 -3.018 -4.597 -0.028 533 HB2 TYR 63 2HB TYR 63 -3.759 -7.474 -0.374 534 HB3 TYR 63 1HB TYR 63 -3.297 -6.446 -1.730 535 HD1 TYR 63 2HD TYR 63 -1.068 -5.180 -1.516 536 HD2 TYR 63 1HD TYR 63 -2.088 -8.551 0.861 537 HE1 TYR 63 2HE TYR 63 1.314 -5.541 -1.026 538 HE2 TYR 63 1HE TYR 63 0.278 -8.931 1.351 539 HH TYR 63 HH TYR 63 2.468 -8.394 0.347 540 H ASP 64 H ASP 64 -6.145 -5.977 0.671 541 HA ASP 64 HA ASP 64 -7.368 -4.955 -1.671 542 HB2 ASP 64 2HB ASP 64 -8.329 -6.778 -0.244 543 HB3 ASP 64 1HB ASP 64 -8.702 -5.557 0.972 544 H MET 65 H MET 65 -7.110 -3.759 1.673 545 HA MET 65 HA MET 65 -8.555 -1.423 1.126 546 HB2 MET 65 2HB MET 65 -6.714 -2.099 3.405 547 HB3 MET 65 1HB MET 65 -7.576 -0.566 3.303 548 HG2 MET 65 2HG MET 65 -9.691 -1.873 3.163 549 HG3 MET 65 1HG MET 65 -8.747 -3.320 3.464 550 HE1 MET 65 3HE MET 65 -6.641 -2.507 5.601 551 HE2 MET 65 1HE MET 65 -7.640 -3.947 5.776 552 HE3 MET 65 2HE MET 65 -7.479 -2.815 7.122 553 H ILE 66 H ILE 66 -5.028 -2.038 1.077 554 HA ILE 66 HA ILE 66 -4.507 0.694 0.599 555 HB ILE 66 HB ILE 66 -2.283 0.110 -0.296 556 HG12 ILE 66 2HG1 ILE 66 -2.958 -2.738 0.260 557 HG13 ILE 66 1HG1 ILE 66 -3.039 -2.094 -1.374 558 HG21 ILE 66 1HG2 ILE 66 -2.535 0.354 2.075 559 HG22 ILE 66 2HG2 ILE 66 -1.357 -0.911 1.718 560 HG23 ILE 66 3HG2 ILE 66 -2.990 -1.343 2.228 561 HD11 ILE 66 3HD1 ILE 66 -0.933 -3.225 -1.072 562 HD12 ILE 66 1HD1 ILE 66 -0.606 -2.302 0.402 563 HD13 ILE 66 2HD1 ILE 66 -0.641 -1.489 -1.162 564 H ALA 67 H ALA 67 -5.351 -1.913 -1.556 565 HA ALA 67 HA ALA 67 -4.669 -0.788 -4.006 566 HB1 ALA 67 1HB ALA 67 -7.061 -2.519 -3.403 567 HB2 ALA 67 2HB ALA 67 -5.430 -3.100 -3.740 568 HB3 ALA 67 3HB ALA 67 -6.340 -2.251 -4.990 569 H GLU 68 H GLU 68 -7.647 -0.359 -2.133 570 HA GLU 68 HA GLU 68 -8.753 1.346 -4.130 571 HB2 GLU 68 2HB GLU 68 -10.555 1.806 -2.472 572 HB3 GLU 68 1HB GLU 68 -10.300 0.098 -2.771 573 HG2 GLU 68 2HG GLU 68 -9.081 -0.096 -0.673 574 HG3 GLU 68 1HG GLU 68 -9.288 1.630 -0.385 575 H ILE 69 H ILE 69 -6.999 1.888 -1.138 576 HA ILE 69 HA ILE 69 -7.356 4.694 -0.989 577 HB ILE 69 HB ILE 69 -5.076 2.991 0.057 578 HG12 ILE 69 2HG1 ILE 69 -7.499 4.077 1.491 579 HG13 ILE 69 1HG1 ILE 69 -7.340 2.425 0.903 580 HG21 ILE 69 1HG2 ILE 69 -4.607 4.855 1.593 581 HG22 ILE 69 2HG2 ILE 69 -5.852 5.819 0.800 582 HG23 ILE 69 3HG2 ILE 69 -4.406 5.343 -0.091 583 HD11 ILE 69 3HD1 ILE 69 -5.558 3.733 2.929 584 HD12 ILE 69 1HD1 ILE 69 -5.448 2.076 2.357 585 HD13 ILE 69 2HD1 ILE 69 -6.855 2.592 3.286 586 H LEU 70 H LEU 70 -4.855 2.673 -2.472 587 HA LEU 70 HA LEU 70 -3.099 4.620 -3.348 588 HB2 LEU 70 2HB LEU 70 -3.873 2.008 -4.642 589 HB3 LEU 70 1HB LEU 70 -2.528 2.994 -5.175 590 HG LEU 70 HG LEU 70 -2.728 1.818 -2.400 591 HD11 LEU 70 1HD1 LEU 70 -1.242 0.787 -4.807 592 HD12 LEU 70 2HD1 LEU 70 -2.627 0.022 -4.031 593 HD13 LEU 70 3HD1 LEU 70 -1.098 0.167 -3.165 594 HD21 LEU 70 3HD2 LEU 70 -0.434 3.034 -3.933 595 HD22 LEU 70 1HD2 LEU 70 -0.331 2.303 -2.333 596 HD23 LEU 70 2HD2 LEU 70 -1.283 3.767 -2.571 597 H GLN 71 H GLN 71 -5.968 3.367 -4.958 598 HA GLN 71 HA GLN 71 -5.797 4.875 -7.344 599 HB2 GLN 71 2HB GLN 71 -8.317 4.039 -5.908 600 HB3 GLN 71 1HB GLN 71 -8.157 4.410 -7.615 601 HG2 GLN 71 2HG GLN 71 -6.804 2.429 -7.942 602 HG3 GLN 71 1HG GLN 71 -6.833 2.112 -6.214 603 HE21 GLN 71 1HE2 GLN 71 -7.784 0.192 -6.378 604 HE22 GLN 71 2HE2 GLN 71 -9.434 -0.055 -6.824 605 H ARG 72 H ARG 72 -7.573 5.414 -4.345 606 HA ARG 72 HA ARG 72 -8.940 7.704 -4.932 607 HB2 ARG 72 2HB ARG 72 -9.280 6.025 -3.184 608 HB3 ARG 72 1HB ARG 72 -7.870 6.647 -2.359 609 HG2 ARG 72 2HG ARG 72 -8.993 8.743 -1.976 610 HG3 ARG 72 1HG ARG 72 -10.408 8.158 -2.873 611 HD2 ARG 72 2HD ARG 72 -9.226 6.923 -0.408 612 HD3 ARG 72 1HD ARG 72 -10.740 7.842 -0.503 613 HE ARG 72 HE ARG 72 -11.219 5.944 -2.257 614 HH11 ARG 72 1HH1 ARG 72 -9.886 5.613 1.063 615 HH12 ARG 72 2HH1 ARG 72 -10.388 4.012 1.226 616 HH21 ARG 72 1HH2 ARG 72 -11.929 3.767 -1.968 617 HH22 ARG 72 2HH2 ARG 72 -11.596 2.915 -0.537 618 H TYR 73 H TYR 73 -5.868 7.325 -3.145 619 HA TYR 73 HA TYR 73 -5.705 10.181 -2.983 620 HB2 TYR 73 2HB TYR 73 -4.126 8.031 -1.658 621 HB3 TYR 73 1HB TYR 73 -3.521 9.681 -1.705 622 HD1 TYR 73 1HD TYR 73 -6.395 7.627 -0.571 623 HD2 TYR 73 2HD TYR 73 -4.351 11.344 -0.286 624 HE1 TYR 73 1HE TYR 73 -7.818 8.263 1.322 625 HE2 TYR 73 2HE TYR 73 -5.757 11.987 1.616 626 HH TYR 73 HH TYR 73 -7.759 9.792 3.252 627 H TYR 74 H TYR 74 -4.273 7.801 -5.050 628 HA TYR 74 HA TYR 74 -2.112 9.486 -5.735 629 HB2 TYR 74 2HB TYR 74 -1.442 7.682 -6.922 630 HB3 TYR 74 1HB TYR 74 -2.958 6.890 -6.538 631 HD1 TYR 74 1HD TYR 74 -1.178 8.926 -9.075 632 HD2 TYR 74 2HD TYR 74 -4.611 6.591 -8.186 633 HE1 TYR 74 1HE TYR 74 -1.801 8.949 -11.453 634 HE2 TYR 74 2HE TYR 74 -5.234 6.600 -10.537 635 HH TYR 74 HH TYR 74 -3.177 7.656 -13.019 636 H LYS 75 H LYS 75 -5.424 9.375 -6.693 637 HA LYS 75 HA LYS 75 -5.180 11.207 -8.861 638 HB2 LYS 75 2HB LYS 75 -7.561 10.403 -7.188 639 HB3 LYS 75 1HB LYS 75 -7.655 11.465 -8.577 640 HG2 LYS 75 2HG LYS 75 -6.739 8.596 -8.649 641 HG3 LYS 75 1HG LYS 75 -8.350 9.167 -9.079 642 HD2 LYS 75 2HD LYS 75 -7.262 10.616 -10.816 643 HD3 LYS 75 1HD LYS 75 -5.742 9.790 -10.463 644 HE2 LYS 75 2HE LYS 75 -6.838 7.631 -11.024 645 HE3 LYS 75 1HE LYS 75 -8.287 8.515 -11.454 646 HZ1 LYS 75 3HZ LYS 75 -5.644 8.701 -12.824 647 HZ2 LYS 75 1HZ LYS 75 -6.981 9.675 -13.187 648 HZ3 LYS 75 2HZ LYS 75 -7.047 8.020 -13.426 649 H LYS 76 H LYS 76 -5.168 11.555 -5.472 650 HA LYS 76 HA LYS 76 -6.011 14.355 -5.627 651 HB2 LYS 76 2HB LYS 76 -7.129 12.991 -3.927 652 HB3 LYS 76 1HB LYS 76 -5.580 12.616 -3.196 653 HG2 LYS 76 2HG LYS 76 -5.253 14.948 -2.600 654 HG3 LYS 76 1HG LYS 76 -6.765 15.379 -3.392 655 HD2 LYS 76 2HD LYS 76 -6.538 13.496 -1.037 656 HD3 LYS 76 1HD LYS 76 -6.945 15.207 -0.915 657 HE2 LYS 76 2HE LYS 76 -8.915 14.792 -2.367 658 HE3 LYS 76 1HE LYS 76 -8.525 13.078 -2.362 659 HZ1 LYS 76 3HZ LYS 76 -10.247 13.730 -0.745 660 HZ2 LYS 76 1HZ LYS 76 -9.134 14.673 0.060 661 HZ3 LYS 76 2HZ LYS 76 -8.948 12.995 0.027 662 H ILE 77 H ILE 77 -3.336 12.416 -4.275 663 HA ILE 77 HA ILE 77 -1.797 14.912 -4.142 664 HB ILE 77 HB ILE 77 -0.490 13.956 -2.285 665 HG12 ILE 77 2HG1 ILE 77 -2.325 11.555 -2.612 666 HG13 ILE 77 1HG1 ILE 77 -0.594 11.598 -2.785 667 HG21 ILE 77 1HG2 ILE 77 -2.444 15.283 -1.752 668 HG22 ILE 77 2HG2 ILE 77 -2.247 13.986 -0.570 669 HG23 ILE 77 3HG2 ILE 77 -3.466 13.846 -1.835 670 HD11 ILE 77 3HD1 ILE 77 -1.234 10.551 -0.685 671 HD12 ILE 77 1HD1 ILE 77 -2.081 12.020 -0.199 672 HD13 ILE 77 2HD1 ILE 77 -0.330 12.034 -0.404 673 H GLY 78 H GLY 78 -1.751 11.596 -5.153 674 HA2 GLY 78 2HA GLY 78 -0.490 11.340 -7.303 675 HA3 GLY 78 1HA GLY 78 0.849 12.103 -6.445 676 H ILE 79 H ILE 79 0.662 9.440 -7.670 677 HA ILE 79 HA ILE 79 0.246 7.526 -5.646 678 HB ILE 79 HB ILE 79 0.114 6.909 -8.054 679 HG12 ILE 79 2HG1 ILE 79 1.359 4.754 -7.957 680 HG13 ILE 79 1HG1 ILE 79 2.185 5.348 -6.519 681 HG21 ILE 79 1HG2 ILE 79 3.099 7.211 -8.102 682 HG22 ILE 79 2HG2 ILE 79 1.925 8.214 -8.949 683 HG23 ILE 79 3HG2 ILE 79 2.113 6.515 -9.389 684 HD11 ILE 79 3HD1 ILE 79 0.357 3.823 -5.976 685 HD12 ILE 79 1HD1 ILE 79 -0.781 4.912 -6.765 686 HD13 ILE 79 2HD1 ILE 79 0.078 5.434 -5.316 687 H GLU 80 H GLU 80 3.094 9.257 -6.686 688 HA GLU 80 HA GLU 80 5.110 7.879 -5.396 689 HB2 GLU 80 2HB GLU 80 4.916 10.879 -5.482 690 HB3 GLU 80 1HB GLU 80 6.375 9.931 -5.333 691 HG2 GLU 80 2HG GLU 80 6.479 10.523 -7.540 692 HG3 GLU 80 1HG GLU 80 5.582 9.013 -7.683 693 H ASN 81 H ASN 81 3.043 10.393 -4.188 694 HA ASN 81 HA ASN 81 4.162 10.703 -1.606 695 HB2 ASN 81 2HB ASN 81 2.195 12.128 -2.959 696 HB3 ASN 81 1HB ASN 81 1.258 11.083 -1.960 697 HD21 ASN 81 1HD2 ASN 81 3.628 13.644 -1.788 698 HD22 ASN 81 2HD2 ASN 81 3.289 14.089 -0.160 699 H VAL 82 H VAL 82 1.395 8.872 -2.809 700 HA VAL 82 HA VAL 82 0.511 7.858 -0.334 701 HB VAL 82 HB VAL 82 0.078 6.522 -3.012 702 HG11 VAL 82 1HG1 VAL 82 -1.555 6.523 -0.479 703 HG12 VAL 82 2HG1 VAL 82 -0.604 5.181 -1.109 704 HG13 VAL 82 3HG1 VAL 82 -2.020 5.758 -1.995 705 HG21 VAL 82 3HG2 VAL 82 -1.953 7.857 -3.213 706 HG22 VAL 82 1HG2 VAL 82 -0.514 8.876 -3.184 707 HG23 VAL 82 2HG2 VAL 82 -1.523 8.728 -1.742 708 H ASN 83 H ASN 83 2.577 6.404 -2.830 709 HA ASN 83 HA ASN 83 2.891 3.856 -1.764 710 HB2 ASN 83 2HB ASN 83 4.920 5.511 -3.274 711 HB3 ASN 83 1HB ASN 83 5.167 3.821 -2.870 712 HD21 ASN 83 1HD2 ASN 83 5.107 5.031 -5.477 713 HD22 ASN 83 2HD2 ASN 83 3.811 4.277 -6.318 714 H GLN 84 H GLN 84 4.661 6.765 -1.037 715 HA GLN 84 HA GLN 84 6.583 5.583 0.682 716 HB2 GLN 84 2HB GLN 84 6.550 7.884 -0.554 717 HB3 GLN 84 1HB GLN 84 5.641 8.441 0.834 718 HG2 GLN 84 2HG GLN 84 8.450 7.332 0.897 719 HG3 GLN 84 1HG GLN 84 8.022 9.032 0.950 720 HE21 GLN 84 1HE2 GLN 84 8.303 6.100 2.699 721 HE22 GLN 84 2HE2 GLN 84 7.941 6.710 4.253 722 H LEU 85 H LEU 85 3.494 7.229 1.175 723 HA LEU 85 HA LEU 85 3.461 7.199 3.984 724 HB2 LEU 85 2HB LEU 85 1.165 7.236 2.038 725 HB3 LEU 85 1HB LEU 85 1.040 7.606 3.748 726 HG LEU 85 HG LEU 85 2.709 9.179 1.786 727 HD11 LEU 85 1HD1 LEU 85 0.029 9.872 2.969 728 HD12 LEU 85 2HD1 LEU 85 0.319 9.368 1.306 729 HD13 LEU 85 3HD1 LEU 85 1.005 10.879 1.898 730 HD21 LEU 85 3HD2 LEU 85 3.546 9.308 4.060 731 HD22 LEU 85 1HD2 LEU 85 1.934 9.728 4.650 732 HD23 LEU 85 2HD2 LEU 85 2.805 10.834 3.589 733 H ILE 86 H ILE 86 2.292 4.846 1.628 734 HA ILE 86 HA ILE 86 1.055 3.066 3.433 735 HB ILE 86 HB ILE 86 2.462 2.415 0.817 736 HG12 ILE 86 2HG1 ILE 86 0.640 3.999 0.485 737 HG13 ILE 86 1HG1 ILE 86 0.211 2.434 -0.192 738 HG21 ILE 86 1HG2 ILE 86 1.122 0.356 0.760 739 HG22 ILE 86 2HG2 ILE 86 0.497 0.729 2.364 740 HG23 ILE 86 3HG2 ILE 86 2.214 0.397 2.145 741 HD11 ILE 86 3HD1 ILE 86 -0.764 3.576 2.424 742 HD12 ILE 86 1HD1 ILE 86 -1.179 1.988 1.779 743 HD13 ILE 86 2HD1 ILE 86 -1.684 3.446 0.926 744 H LEU 87 H LEU 87 4.382 3.328 2.310 745 HA LEU 87 HA LEU 87 5.392 1.088 3.675 746 HB2 LEU 87 2HB LEU 87 6.775 3.632 2.818 747 HB3 LEU 87 1HB LEU 87 7.617 2.205 3.389 748 HG LEU 87 HG LEU 87 5.927 2.382 0.888 749 HD11 LEU 87 1HD1 LEU 87 8.024 2.082 -0.301 750 HD12 LEU 87 2HD1 LEU 87 8.908 2.152 1.224 751 HD13 LEU 87 3HD1 LEU 87 8.025 3.568 0.647 752 HD21 LEU 87 3HD2 LEU 87 5.793 0.171 1.858 753 HD22 LEU 87 1HD2 LEU 87 7.551 0.120 2.010 754 HD23 LEU 87 2HD2 LEU 87 6.805 0.138 0.409 755 H THR 88 H THR 88 5.087 4.469 4.602 756 HA THR 88 HA THR 88 6.249 4.315 7.133 757 HB THR 88 HB THR 88 3.987 6.105 6.177 758 HG1 THR 88 1HG THR 88 6.779 6.167 6.000 759 HG21 THR 88 3HG2 THR 88 4.222 6.161 8.619 760 HG22 THR 88 1HG2 THR 88 4.778 7.675 7.906 761 HG23 THR 88 2HG2 THR 88 5.952 6.476 8.455 762 H THR 89 H THR 89 3.068 3.384 6.011 763 HA THR 89 HA THR 89 1.693 3.344 8.467 764 HB THR 89 HB THR 89 1.124 1.705 5.971 765 HG1 THR 89 1HG THR 89 1.276 4.028 5.627 766 HG21 THR 89 3HG2 THR 89 -1.193 1.738 6.742 767 HG22 THR 89 1HG2 THR 89 -0.734 2.669 8.163 768 HG23 THR 89 2HG2 THR 89 -0.176 1.007 7.982 769 H ILE 90 H ILE 90 3.560 0.875 6.763 770 HA ILE 90 HA ILE 90 2.971 -1.016 8.894 771 HB ILE 90 HB ILE 90 4.316 -2.644 7.555 772 HG12 ILE 90 2HG1 ILE 90 4.300 -0.408 5.496 773 HG13 ILE 90 1HG1 ILE 90 5.719 -0.959 6.370 774 HG21 ILE 90 1HG2 ILE 90 2.555 -2.944 5.870 775 HG22 ILE 90 2HG2 ILE 90 2.021 -1.287 6.159 776 HG23 ILE 90 3HG2 ILE 90 1.868 -2.488 7.437 777 HD11 ILE 90 3HD1 ILE 90 5.665 -1.819 4.112 778 HD12 ILE 90 1HD1 ILE 90 4.103 -2.582 4.418 779 HD13 ILE 90 2HD1 ILE 90 5.539 -3.132 5.284 780 H LYS 91 H LYS 91 5.189 1.317 8.314 781 HA LYS 91 HA LYS 91 7.278 -0.019 9.833 782 HB2 LYS 91 2HB LYS 91 7.289 2.483 8.178 783 HB3 LYS 91 1HB LYS 91 8.576 2.127 9.323 784 HG2 LYS 91 2HG LYS 91 9.045 0.035 8.156 785 HG3 LYS 91 1HG LYS 91 7.750 0.380 7.012 786 HD2 LYS 91 2HD LYS 91 9.933 0.927 6.073 787 HD3 LYS 91 1HD LYS 91 8.938 2.365 6.247 788 HE2 LYS 91 2HE LYS 91 11.263 2.792 6.924 789 HE3 LYS 91 1HE LYS 91 10.156 2.993 8.268 790 HZ1 LYS 91 3HZ LYS 91 12.191 1.813 8.858 791 HZ2 LYS 91 1HZ LYS 91 11.826 0.564 7.803 792 HZ3 LYS 91 2HZ LYS 91 10.864 0.865 9.173 793 H LEU 92 H LEU 92 4.730 0.939 10.984 794 HA LEU 92 HA LEU 92 5.626 2.983 12.749 795 HB2 LEU 92 2HB LEU 92 3.482 2.319 14.115 796 HB3 LEU 92 1HB LEU 92 3.334 3.199 12.620 797 HG LEU 92 HG LEU 92 2.721 1.065 11.476 798 HD11 LEU 92 1HD1 LEU 92 3.743 -0.551 12.952 799 HD12 LEU 92 2HD1 LEU 92 2.012 -0.855 12.784 800 HD13 LEU 92 3HD1 LEU 92 2.639 -0.094 14.248 801 HD21 LEU 92 3HD2 LEU 92 1.011 1.888 13.805 802 HD22 LEU 92 1HD2 LEU 92 0.466 0.947 12.414 803 HD23 LEU 92 2HD2 LEU 92 1.025 2.605 12.195 804 H GLU 93 H GLU 93 7.528 1.969 13.154 805 HA GLU 93 HA GLU 93 7.655 -0.323 14.868 806 HB2 GLU 93 2HB GLU 93 9.748 1.485 13.668 807 HB3 GLU 93 1HB GLU 93 10.105 0.032 14.598 808 HG2 GLU 93 2HG GLU 93 9.099 -1.370 12.958 809 HG3 GLU 93 1HG GLU 93 8.400 0.012 12.123 810 H HIS 94 H HIS 94 7.644 -0.234 16.962 811 HA HIS 94 HA HIS 94 7.422 2.104 18.466 812 HB2 HIS 94 2HB HIS 94 7.659 0.662 20.495 813 HB3 HIS 94 1HB HIS 94 6.487 0.056 19.355 814 HD1 HIS 94 1HD HIS 94 6.684 -2.368 18.782 815 HD2 HIS 94 2HD HIS 94 10.209 -0.932 20.428 816 HE1 HIS 94 1HE HIS 94 8.118 -4.369 19.140 817 HE2 HIS 94 2HE HIS 94 10.015 -3.508 20.492 818 H HIS 95 H HIS 95 8.832 3.518 19.160 819 HA HIS 95 HA HIS 95 11.619 2.785 18.763 820 HB2 HIS 95 2HB HIS 95 10.801 4.720 17.426 821 HB3 HIS 95 1HB HIS 95 10.457 5.559 18.930 822 HD1 HIS 95 1HD HIS 95 12.282 6.958 19.857 823 HD2 HIS 95 2HD HIS 95 13.687 4.173 17.128 824 HE1 HIS 95 1HE HIS 95 14.704 7.478 19.566 825 HE2 HIS 95 2HE HIS 95 15.558 5.536 18.227 826 H HIS 96 H HIS 96 11.684 1.693 20.721 827 HA HIS 96 HA HIS 96 12.847 3.326 22.762 828 HB2 HIS 96 2HB HIS 96 10.558 1.436 23.457 829 HB3 HIS 96 1HB HIS 96 11.696 2.091 24.608 830 HD1 HIS 96 1HD HIS 96 8.468 2.751 23.091 831 HD2 HIS 96 2HD HIS 96 11.473 4.997 24.876 832 HE1 HIS 96 1HE HIS 96 7.410 4.911 23.699 833 HE2 HIS 96 2HE HIS 96 9.327 6.347 24.381 834 H HIS 97 H HIS 97 14.368 2.126 23.852 835 HA HIS 97 HA HIS 97 14.559 -0.681 23.170 836 HB2 HIS 97 2HB HIS 97 15.891 0.625 21.467 837 HB3 HIS 97 1HB HIS 97 16.861 1.261 22.787 838 HD1 HIS 97 1HD HIS 97 18.930 -0.023 23.291 839 HD2 HIS 97 2HD HIS 97 16.128 -2.331 21.275 840 HE1 HIS 97 1HE HIS 97 20.081 -2.184 22.772 841 HE2 HIS 97 2HE HIS 97 18.440 -3.451 21.349 842 H HIS 98 H HIS 98 13.832 -0.751 25.360 843 HA HIS 98 HA HIS 98 15.952 -1.074 27.219 844 HB2 HIS 98 2HB HIS 98 15.682 1.407 27.365 845 HB3 HIS 98 1HB HIS 98 13.982 1.184 27.747 846 HD1 HIS 98 1HD HIS 98 13.418 0.361 30.173 847 HD2 HIS 98 2HD HIS 98 17.463 0.993 29.481 848 HE1 HIS 98 1HE HIS 98 14.486 0.368 32.419 849 HE2 HIS 98 2HE HIS 98 16.821 1.126 31.975 850 H HIS 99 H HIS 99 15.270 -2.750 28.456 851 HA HIS 99 HA HIS 99 12.381 -3.026 28.702 852 HB2 HIS 99 2HB HIS 99 12.641 -5.426 29.207 853 HB3 HIS 99 1HB HIS 99 13.472 -5.059 27.713 854 HD1 HIS 99 1HD HIS 99 16.188 -4.986 27.946 855 HD2 HIS 99 2HD HIS 99 14.107 -6.734 31.081 856 HE1 HIS 99 1HE HIS 99 17.890 -6.221 29.271 857 HE2 HIS 99 2HE HIS 99 16.559 -7.539 30.910 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -1.212 17.601 7.306 2 H2 MET 1 2HT MET 1 -0.547 18.453 6.023 3 H3 MET 1 3HT MET 1 0.428 17.448 6.975 4 HA MET 1 HA MET 1 -1.810 16.546 5.314 5 HB2 MET 1 2HB MET 1 1.170 16.271 4.858 6 HB3 MET 1 1HB MET 1 -0.054 15.426 3.938 7 HG2 MET 1 2HG MET 1 0.293 18.416 4.048 8 HG3 MET 1 1HG MET 1 0.850 17.352 2.759 9 HE1 MET 1 2HE MET 1 -2.492 16.119 1.165 10 HE2 MET 1 3HE MET 1 -1.526 15.294 2.385 11 HE3 MET 1 1HE MET 1 -0.733 16.123 1.044 12 H SER 2 H SER 2 -2.657 15.325 6.912 13 HA SER 2 HA SER 2 -1.040 13.022 7.629 14 HB2 SER 2 2HB SER 2 -3.261 14.333 9.235 15 HB3 SER 2 1HB SER 2 -2.355 12.895 9.712 16 HG SER 2 HG SER 2 -0.703 14.906 9.042 17 H ILE 3 H ILE 3 -1.816 11.287 6.682 18 HA ILE 3 HA ILE 3 -4.265 11.528 5.160 19 HB ILE 3 HB ILE 3 -2.283 10.754 4.016 20 HG12 ILE 3 2HG1 ILE 3 -4.203 8.419 4.266 21 HG13 ILE 3 1HG1 ILE 3 -4.450 9.810 3.227 22 HG21 ILE 3 1HG2 ILE 3 -2.189 8.534 6.005 23 HG22 ILE 3 2HG2 ILE 3 -1.012 9.827 5.759 24 HG23 ILE 3 3HG2 ILE 3 -1.232 8.580 4.530 25 HD11 ILE 3 3HD1 ILE 3 -3.667 7.872 1.973 26 HD12 ILE 3 1HD1 ILE 3 -2.235 7.775 2.996 27 HD13 ILE 3 2HD1 ILE 3 -2.464 9.161 1.929 28 H LEU 4 H LEU 4 -4.524 11.356 7.925 29 HA LEU 4 HA LEU 4 -5.683 8.748 8.507 30 HB2 LEU 4 2HB LEU 4 -5.573 11.279 10.169 31 HB3 LEU 4 1HB LEU 4 -6.175 9.734 10.734 32 HG LEU 4 HG LEU 4 -3.321 10.316 9.931 33 HD11 LEU 4 1HD1 LEU 4 -2.829 10.081 12.308 34 HD12 LEU 4 2HD1 LEU 4 -4.549 9.899 12.651 35 HD13 LEU 4 3HD1 LEU 4 -3.933 11.421 12.004 36 HD21 LEU 4 3HD2 LEU 4 -3.915 7.992 9.487 37 HD22 LEU 4 1HD2 LEU 4 -4.565 7.830 11.119 38 HD23 LEU 4 2HD2 LEU 4 -2.841 8.099 10.879 39 H GLU 5 H GLU 5 -6.505 10.927 6.580 40 HA GLU 5 HA GLU 5 -9.063 11.962 7.193 41 HB2 GLU 5 2HB GLU 5 -7.905 11.375 4.461 42 HB3 GLU 5 1HB GLU 5 -9.109 12.585 4.868 43 HG2 GLU 5 2HG GLU 5 -7.457 13.891 6.051 44 HG3 GLU 5 1HG GLU 5 -6.247 12.638 5.808 45 H ASP 6 H ASP 6 -7.856 8.930 6.180 46 HA ASP 6 HA ASP 6 -10.459 8.075 5.192 47 HB2 ASP 6 2HB ASP 6 -8.963 7.992 3.416 48 HB3 ASP 6 1HB ASP 6 -7.694 7.254 4.407 49 HA PRO 7 HA PRO 7 -10.729 5.254 8.661 50 HB2 PRO 7 2HB PRO 7 -12.576 3.832 6.843 51 HB3 PRO 7 1HB PRO 7 -12.852 4.426 8.480 52 HG2 PRO 7 2HG PRO 7 -13.912 5.680 6.384 53 HG3 PRO 7 1HG PRO 7 -13.275 6.590 7.764 54 HD2 PRO 7 2HD PRO 7 -12.035 6.147 5.069 55 HD3 PRO 7 1HD PRO 7 -12.068 7.588 6.113 56 H GLU 8 H GLU 8 -10.099 4.147 5.339 57 HA GLU 8 HA GLU 8 -9.637 1.421 6.077 58 HB2 GLU 8 2HB GLU 8 -8.654 2.872 3.609 59 HB3 GLU 8 1HB GLU 8 -8.821 1.134 3.806 60 HG2 GLU 8 2HG GLU 8 -11.065 3.138 3.727 61 HG3 GLU 8 1HG GLU 8 -10.569 2.101 2.394 62 H PHE 9 H PHE 9 -7.655 4.199 5.313 63 HA PHE 9 HA PHE 9 -5.132 3.080 5.712 64 HB2 PHE 9 2HB PHE 9 -5.555 5.284 4.638 65 HB3 PHE 9 1HB PHE 9 -5.942 5.950 6.219 66 HD1 PHE 9 1HD PHE 9 -4.178 6.304 7.890 67 HD2 PHE 9 2HD PHE 9 -3.295 4.824 3.997 68 HE1 PHE 9 1HE PHE 9 -1.799 6.792 8.251 69 HE2 PHE 9 2HE PHE 9 -0.915 5.312 4.351 70 HZ PHE 9 HZ PHE 9 -0.163 6.293 6.480 71 H VAL 10 H VAL 10 -7.242 4.732 8.028 72 HA VAL 10 HA VAL 10 -5.390 4.579 10.140 73 HB VAL 10 HB VAL 10 -7.394 6.120 10.167 74 HG11 VAL 10 1HG1 VAL 10 -9.107 4.542 9.541 75 HG12 VAL 10 2HG1 VAL 10 -9.509 5.371 11.047 76 HG13 VAL 10 3HG1 VAL 10 -8.922 3.706 11.081 77 HG21 VAL 10 3HG2 VAL 10 -6.043 5.864 12.148 78 HG22 VAL 10 1HG2 VAL 10 -6.972 4.447 12.635 79 HG23 VAL 10 2HG2 VAL 10 -7.740 6.033 12.597 80 H LYS 11 H LYS 11 -7.794 2.263 9.039 81 HA LYS 11 HA LYS 11 -7.394 0.443 11.139 82 HB2 LYS 11 2HB LYS 11 -8.284 0.033 8.300 83 HB3 LYS 11 1HB LYS 11 -8.218 -1.271 9.477 84 HG2 LYS 11 2HG LYS 11 -9.798 -0.094 10.897 85 HG3 LYS 11 1HG LYS 11 -9.842 1.240 9.755 86 HD2 LYS 11 2HD LYS 11 -10.623 -1.581 9.056 87 HD3 LYS 11 1HD LYS 11 -11.782 -0.346 9.547 88 HE2 LYS 11 2HE LYS 11 -10.974 1.056 7.662 89 HE3 LYS 11 1HE LYS 11 -9.964 -0.299 7.155 90 HZ1 LYS 11 3HZ LYS 11 -12.098 -0.026 6.009 91 HZ2 LYS 11 1HZ LYS 11 -12.908 -0.455 7.403 92 HZ3 LYS 11 2HZ LYS 11 -11.888 -1.572 6.635 93 H LEU 12 H LEU 12 -5.770 0.842 8.006 94 HA LEU 12 HA LEU 12 -4.031 -1.349 8.125 95 HB2 LEU 12 2HB LEU 12 -3.406 1.389 7.012 96 HB3 LEU 12 1HB LEU 12 -2.500 -0.066 6.724 97 HG LEU 12 HG LEU 12 -5.349 0.321 5.838 98 HD11 LEU 12 1HD1 LEU 12 -2.744 0.532 4.344 99 HD12 LEU 12 2HD1 LEU 12 -3.816 1.877 4.730 100 HD13 LEU 12 3HD1 LEU 12 -4.350 0.601 3.631 101 HD21 LEU 12 3HD2 LEU 12 -3.265 -1.738 5.131 102 HD22 LEU 12 1HD2 LEU 12 -4.895 -1.642 4.473 103 HD23 LEU 12 2HD2 LEU 12 -4.650 -2.021 6.183 104 H ARG 13 H ARG 13 -3.768 1.836 9.499 105 HA ARG 13 HA ARG 13 -1.131 1.782 10.422 106 HB2 ARG 13 2HB ARG 13 -2.616 3.786 10.336 107 HB3 ARG 13 1HB ARG 13 -3.497 3.151 11.714 108 HG2 ARG 13 2HG ARG 13 -1.978 4.866 12.441 109 HG3 ARG 13 1HG ARG 13 -1.432 3.307 13.059 110 HD2 ARG 13 2HD ARG 13 0.224 3.162 11.275 111 HD3 ARG 13 1HD ARG 13 -0.345 4.692 10.604 112 HE ARG 13 HE ARG 13 0.354 5.064 13.281 113 HH11 ARG 13 1HH1 ARG 13 1.953 4.399 10.190 114 HH12 ARG 13 2HH1 ARG 13 3.426 5.116 10.648 115 HH21 ARG 13 1HH2 ARG 13 2.348 6.105 13.881 116 HH22 ARG 13 2HH2 ARG 13 3.650 6.130 12.795 117 H GLN 14 H GLN 14 -4.093 0.643 11.896 118 HA GLN 14 HA GLN 14 -2.863 -0.189 14.377 119 HB2 GLN 14 2HB GLN 14 -5.588 -0.720 13.199 120 HB3 GLN 14 1HB GLN 14 -5.109 -1.092 14.851 121 HG2 GLN 14 2HG GLN 14 -4.870 1.213 15.379 122 HG3 GLN 14 1HG GLN 14 -5.064 1.677 13.688 123 HE21 GLN 14 1HE2 GLN 14 -7.063 1.677 12.793 124 HE22 GLN 14 2HE2 GLN 14 -8.525 1.563 13.704 125 H PHE 15 H PHE 15 -3.795 -1.542 11.355 126 HA PHE 15 HA PHE 15 -3.701 -4.297 11.860 127 HB2 PHE 15 2HB PHE 15 -4.762 -3.169 9.910 128 HB3 PHE 15 1HB PHE 15 -3.165 -2.762 9.321 129 HD1 PHE 15 2HD PHE 15 -5.601 -5.439 9.813 130 HD2 PHE 15 1HD PHE 15 -1.809 -4.388 8.208 131 HE1 PHE 15 2HE PHE 15 -5.577 -7.519 8.506 132 HE2 PHE 15 1HE PHE 15 -1.782 -6.461 6.903 133 HZ PHE 15 HZ PHE 15 -3.655 -8.024 7.048 134 H LYS 16 H LYS 16 -1.219 -1.959 11.228 135 HA LYS 16 HA LYS 16 1.032 -1.967 11.494 136 HB2 LYS 16 2HB LYS 16 0.789 -4.875 12.311 137 HB3 LYS 16 1HB LYS 16 2.248 -3.909 12.419 138 HG2 LYS 16 2HG LYS 16 1.158 -2.467 14.074 139 HG3 LYS 16 1HG LYS 16 -0.306 -3.449 13.954 140 HD2 LYS 16 2HD LYS 16 0.995 -5.426 14.669 141 HD3 LYS 16 1HD LYS 16 2.418 -4.401 14.842 142 HE2 LYS 16 2HE LYS 16 -0.166 -4.125 16.369 143 HE3 LYS 16 1HE LYS 16 1.324 -4.820 16.990 144 HZ1 LYS 16 3HZ LYS 16 1.003 -1.989 16.112 145 HZ2 LYS 16 1HZ LYS 16 2.407 -2.673 16.756 146 HZ3 LYS 16 2HZ LYS 16 1.023 -2.518 17.690 147 H GLY 17 H GLY 17 -0.084 -4.910 9.938 148 HA2 GLY 17 2HA GLY 17 0.400 -4.759 7.439 149 HA3 GLY 17 1HA GLY 17 2.064 -4.574 7.968 150 H LYS 18 H LYS 18 2.831 -6.332 9.509 151 HA LYS 18 HA LYS 18 3.665 -8.382 9.596 152 HB2 LYS 18 2HB LYS 18 0.814 -9.235 9.055 153 HB3 LYS 18 1HB LYS 18 2.079 -10.337 9.643 154 HG2 LYS 18 2HG LYS 18 0.956 -9.873 11.564 155 HG3 LYS 18 1HG LYS 18 2.042 -8.483 11.575 156 HD2 LYS 18 2HD LYS 18 -0.141 -7.610 11.997 157 HD3 LYS 18 1HD LYS 18 0.249 -7.213 10.334 158 HE2 LYS 18 2HE LYS 18 -1.427 -9.571 11.178 159 HE3 LYS 18 1HE LYS 18 -2.099 -8.027 10.636 160 HZ1 LYS 18 3HZ LYS 18 -0.668 -10.116 9.064 161 HZ2 LYS 18 1HZ LYS 18 -0.922 -8.566 8.439 162 HZ3 LYS 18 2HZ LYS 18 -2.202 -9.531 8.860 163 H VAL 19 H VAL 19 3.780 -7.035 7.213 164 HA VAL 19 HA VAL 19 3.805 -9.154 5.174 165 HB VAL 19 HB VAL 19 3.566 -7.320 3.486 166 HG11 VAL 19 1HG1 VAL 19 1.321 -7.425 5.491 167 HG12 VAL 19 2HG1 VAL 19 1.584 -8.561 4.169 168 HG13 VAL 19 3HG1 VAL 19 1.188 -6.878 3.819 169 HG21 VAL 19 3HG2 VAL 19 4.411 -5.458 4.714 170 HG22 VAL 19 1HG2 VAL 19 3.120 -5.597 5.921 171 HG23 VAL 19 2HG2 VAL 19 2.734 -5.127 4.268 172 H ASN 20 H ASN 20 5.520 -8.624 3.481 173 HA ASN 20 HA ASN 20 7.953 -7.894 4.876 174 HB2 ASN 20 2HB ASN 20 7.814 -9.829 3.160 175 HB3 ASN 20 1HB ASN 20 7.715 -8.520 1.963 176 HD21 ASN 20 1HD2 ASN 20 9.761 -10.099 4.225 177 HD22 ASN 20 2HD2 ASN 20 11.227 -9.385 3.661 178 H PHE 21 H PHE 21 8.837 -5.953 4.751 179 HA PHE 21 HA PHE 21 7.613 -3.731 3.639 180 HB2 PHE 21 2HB PHE 21 9.225 -3.531 5.439 181 HB3 PHE 21 1HB PHE 21 10.509 -4.121 4.397 182 HD1 PHE 21 2HD PHE 21 8.208 -1.311 4.980 183 HD2 PHE 21 1HD PHE 21 11.654 -2.673 2.907 184 HE1 PHE 21 2HE PHE 21 8.682 0.990 4.260 185 HE2 PHE 21 1HE PHE 21 12.133 -0.379 2.175 186 HZ PHE 21 HZ PHE 21 10.640 1.457 2.849 187 H ASN 22 H ASN 22 10.064 -5.839 2.256 188 HA ASN 22 HA ASN 22 10.735 -3.991 0.149 189 HB2 ASN 22 2HB ASN 22 11.345 -6.957 0.320 190 HB3 ASN 22 1HB ASN 22 12.011 -5.847 -0.866 191 HD21 ASN 22 1HD2 ASN 22 12.167 -7.058 2.311 192 HD22 ASN 22 2HD2 ASN 22 13.607 -6.258 2.813 193 H LEU 23 H LEU 23 8.606 -6.647 0.647 194 HA LEU 23 HA LEU 23 8.010 -7.010 -2.091 195 HB2 LEU 23 2HB LEU 23 7.784 -8.810 -0.441 196 HB3 LEU 23 1HB LEU 23 6.516 -7.902 0.354 197 HG LEU 23 HG LEU 23 5.031 -8.212 -1.541 198 HD11 LEU 23 1HD1 LEU 23 5.692 -9.605 -3.447 199 HD12 LEU 23 2HD1 LEU 23 7.334 -9.697 -2.811 200 HD13 LEU 23 3HD1 LEU 23 6.681 -8.150 -3.350 201 HD21 LEU 23 3HD2 LEU 23 6.394 -10.772 -0.747 202 HD22 LEU 23 1HD2 LEU 23 4.772 -10.623 -1.419 203 HD23 LEU 23 2HD2 LEU 23 5.140 -9.946 0.173 204 H VAL 24 H VAL 24 6.453 -5.265 0.592 205 HA VAL 24 HA VAL 24 4.214 -4.437 -0.948 206 HB VAL 24 HB VAL 24 5.432 -3.084 1.483 207 HG11 VAL 24 1HG1 VAL 24 3.994 -1.539 0.236 208 HG12 VAL 24 2HG1 VAL 24 3.240 -2.009 1.759 209 HG13 VAL 24 3HG1 VAL 24 2.696 -2.733 0.246 210 HG21 VAL 24 3HG2 VAL 24 3.151 -5.019 1.224 211 HG22 VAL 24 1HG2 VAL 24 3.659 -4.208 2.702 212 HG23 VAL 24 2HG2 VAL 24 4.740 -5.359 1.917 213 H MET 25 H MET 25 7.344 -2.977 -0.290 214 HA MET 25 HA MET 25 6.922 -0.594 -1.698 215 HB2 MET 25 2HB MET 25 8.800 -0.877 -0.174 216 HB3 MET 25 1HB MET 25 9.486 -2.129 -1.189 217 HG2 MET 25 2HG MET 25 9.912 -0.512 -2.938 218 HG3 MET 25 1HG MET 25 9.127 0.747 -1.992 219 HE1 MET 25 3HE MET 25 13.063 -1.284 -0.646 220 HE2 MET 25 1HE MET 25 12.201 -1.762 -2.105 221 HE3 MET 25 2HE MET 25 11.496 -2.071 -0.514 222 H GLN 26 H GLN 26 7.966 -3.767 -2.749 223 HA GLN 26 HA GLN 26 8.411 -3.063 -5.452 224 HB2 GLN 26 2HB GLN 26 9.397 -5.076 -4.584 225 HB3 GLN 26 1HB GLN 26 7.831 -5.706 -4.104 226 HG2 GLN 26 2HG GLN 26 7.207 -5.923 -6.457 227 HG3 GLN 26 1HG GLN 26 8.780 -5.287 -6.930 228 HE21 GLN 26 1HE2 GLN 26 9.258 -7.157 -8.036 229 HE22 GLN 26 2HE2 GLN 26 9.681 -8.631 -7.258 230 H ILE 27 H ILE 27 5.569 -4.305 -3.710 231 HA ILE 27 HA ILE 27 3.805 -4.639 -5.869 232 HB ILE 27 HB ILE 27 3.148 -3.577 -3.093 233 HG12 ILE 27 2HG1 ILE 27 4.184 -5.804 -2.989 234 HG13 ILE 27 1HG1 ILE 27 2.509 -5.865 -2.480 235 HG21 ILE 27 1HG2 ILE 27 1.332 -3.055 -4.577 236 HG22 ILE 27 2HG2 ILE 27 0.840 -4.325 -3.455 237 HG23 ILE 27 3HG2 ILE 27 1.249 -4.732 -5.123 238 HD11 ILE 27 3HD1 ILE 27 3.081 -7.784 -3.808 239 HD12 ILE 27 1HD1 ILE 27 3.600 -6.749 -5.140 240 HD13 ILE 27 2HD1 ILE 27 1.903 -6.787 -4.661 241 H LEU 28 H LEU 28 4.499 -1.829 -3.901 242 HA LEU 28 HA LEU 28 2.827 0.035 -5.147 243 HB2 LEU 28 2HB LEU 28 5.432 0.406 -3.689 244 HB3 LEU 28 1HB LEU 28 4.323 1.697 -4.092 245 HG LEU 28 HG LEU 28 3.666 -0.615 -2.260 246 HD11 LEU 28 1HD1 LEU 28 3.824 1.040 -0.466 247 HD12 LEU 28 2HD1 LEU 28 4.430 2.226 -1.628 248 HD13 LEU 28 3HD1 LEU 28 5.368 0.781 -1.272 249 HD21 LEU 28 3HD2 LEU 28 2.204 1.947 -2.864 250 HD22 LEU 28 1HD2 LEU 28 1.737 0.762 -1.644 251 HD23 LEU 28 2HD2 LEU 28 1.703 0.324 -3.352 252 H ASP 29 H ASP 29 6.206 -0.813 -5.715 253 HA ASP 29 HA ASP 29 6.778 1.167 -7.689 254 HB2 ASP 29 2HB ASP 29 8.456 -0.362 -6.337 255 HB3 ASP 29 1HB ASP 29 8.031 -1.536 -7.519 256 H GLU 30 H GLU 30 5.865 -2.195 -7.852 257 HA GLU 30 HA GLU 30 6.099 -2.549 -10.610 258 HB2 GLU 30 2HB GLU 30 5.927 -4.254 -8.656 259 HB3 GLU 30 1HB GLU 30 4.196 -4.104 -8.888 260 HG2 GLU 30 2HG GLU 30 4.388 -4.949 -11.143 261 HG3 GLU 30 1HG GLU 30 6.144 -4.974 -11.004 262 H ILE 31 H ILE 31 3.245 -1.635 -8.629 263 HA ILE 31 HA ILE 31 1.531 -1.486 -10.926 264 HB ILE 31 HB ILE 31 -0.109 -0.309 -9.522 265 HG12 ILE 31 2HG1 ILE 31 1.958 -0.352 -7.310 266 HG13 ILE 31 1HG1 ILE 31 1.503 1.079 -8.224 267 HG21 ILE 31 1HG2 ILE 31 -0.453 -1.998 -7.771 268 HG22 ILE 31 2HG2 ILE 31 1.148 -2.637 -8.111 269 HG23 ILE 31 3HG2 ILE 31 -0.105 -2.695 -9.354 270 HD11 ILE 31 3HD1 ILE 31 -0.299 -0.542 -6.454 271 HD12 ILE 31 1HD1 ILE 31 -0.765 0.906 -7.346 272 HD13 ILE 31 2HD1 ILE 31 0.433 1.018 -6.055 273 H GLU 32 H GLU 32 3.488 0.857 -9.129 274 HA GLU 32 HA GLU 32 2.578 3.171 -10.371 275 HB2 GLU 32 2HB GLU 32 3.871 3.205 -8.315 276 HB3 GLU 32 1HB GLU 32 5.261 2.527 -9.151 277 HG2 GLU 32 2HG GLU 32 5.422 4.466 -10.508 278 HG3 GLU 32 1HG GLU 32 4.025 5.205 -9.710 279 H LEU 33 H LEU 33 5.368 1.138 -11.157 280 HA LEU 33 HA LEU 33 6.158 2.666 -13.371 281 HB2 LEU 33 2HB LEU 33 7.608 0.812 -14.016 282 HB3 LEU 33 1HB LEU 33 7.724 1.133 -12.311 283 HG LEU 33 HG LEU 33 6.119 -0.888 -12.035 284 HD11 LEU 33 1HD1 LEU 33 7.145 -1.457 -14.802 285 HD12 LEU 33 2HD1 LEU 33 5.465 -1.172 -14.340 286 HD13 LEU 33 3HD1 LEU 33 6.314 -2.603 -13.750 287 HD21 LEU 33 3HD2 LEU 33 8.003 -2.450 -12.054 288 HD22 LEU 33 1HD2 LEU 33 8.423 -0.908 -11.313 289 HD23 LEU 33 2HD2 LEU 33 8.957 -1.274 -12.955 290 H ASP 34 H ASP 34 3.781 0.158 -13.073 291 HA ASP 34 HA ASP 34 3.449 -0.137 -15.894 292 HB2 ASP 34 2HB ASP 34 2.817 -1.963 -14.354 293 HB3 ASP 34 1HB ASP 34 1.572 -0.936 -13.653 294 H LEU 35 H LEU 35 1.768 1.585 -13.333 295 HA LEU 35 HA LEU 35 -0.367 2.692 -14.635 296 HB2 LEU 35 2HB LEU 35 -0.052 2.913 -12.265 297 HB3 LEU 35 1HB LEU 35 1.383 3.883 -12.497 298 HG LEU 35 HG LEU 35 0.002 5.715 -13.389 299 HD11 LEU 35 1HD1 LEU 35 -2.324 3.906 -12.764 300 HD12 LEU 35 2HD1 LEU 35 -1.823 4.480 -14.353 301 HD13 LEU 35 3HD1 LEU 35 -2.441 5.619 -13.159 302 HD21 LEU 35 3HD2 LEU 35 -1.085 6.326 -11.281 303 HD22 LEU 35 1HD2 LEU 35 0.526 5.655 -11.016 304 HD23 LEU 35 2HD2 LEU 35 -0.902 4.667 -10.710 305 H ARG 36 H ARG 36 2.969 3.785 -14.824 306 HA ARG 36 HA ARG 36 2.357 6.189 -16.169 307 HB2 ARG 36 2HB ARG 36 4.937 4.730 -15.770 308 HB3 ARG 36 1HB ARG 36 4.863 6.011 -16.962 309 HG2 ARG 36 2HG ARG 36 5.723 6.952 -14.966 310 HG3 ARG 36 1HG ARG 36 4.082 7.545 -15.146 311 HD2 ARG 36 2HD ARG 36 3.324 5.867 -13.529 312 HD3 ARG 36 1HD ARG 36 4.987 5.318 -13.339 313 HE ARG 36 HE ARG 36 3.890 7.897 -12.477 314 HH11 ARG 36 1HH1 ARG 36 6.678 5.730 -12.560 315 HH12 ARG 36 2HH1 ARG 36 7.371 6.304 -11.122 316 HH21 ARG 36 1HH2 ARG 36 4.854 8.734 -10.532 317 HH22 ARG 36 2HH2 ARG 36 6.317 8.079 -9.937 318 H GLY 37 H GLY 37 2.222 3.039 -17.332 319 HA2 GLY 37 2HA GLY 37 2.172 4.112 -20.084 320 HA3 GLY 37 1HA GLY 37 3.018 2.613 -19.739 321 H SER 38 H SER 38 0.578 2.422 -17.721 322 HA SER 38 HA SER 38 -0.966 0.690 -19.415 323 HB2 SER 38 2HB SER 38 -0.167 0.195 -17.041 324 HB3 SER 38 1HB SER 38 -1.353 1.368 -16.497 325 HG SER 38 HG SER 38 -1.729 -1.038 -16.709 326 H ASP 39 H ASP 39 -3.469 0.886 -18.505 327 HA ASP 39 HA ASP 39 -4.274 3.537 -19.432 328 HB2 ASP 39 2HB ASP 39 -6.424 2.661 -19.940 329 HB3 ASP 39 1HB ASP 39 -5.286 1.431 -20.461 330 H ASN 40 H ASN 40 -4.448 1.451 -16.600 331 HA ASN 40 HA ASN 40 -5.419 3.722 -15.044 332 HB2 ASN 40 2HB ASN 40 -7.329 2.160 -15.965 333 HB3 ASN 40 1HB ASN 40 -6.764 1.097 -14.716 334 HD21 ASN 40 1HD2 ASN 40 -8.396 4.083 -15.297 335 HD22 ASN 40 2HD2 ASN 40 -8.879 4.362 -13.669 336 H ILE 41 H ILE 41 -5.069 3.409 -12.818 337 HA ILE 41 HA ILE 41 -2.886 1.757 -12.128 338 HB ILE 41 HB ILE 41 -3.213 3.847 -10.933 339 HG12 ILE 41 2HG1 ILE 41 -3.633 1.473 -9.091 340 HG13 ILE 41 1HG1 ILE 41 -2.089 2.033 -9.711 341 HG21 ILE 41 1HG2 ILE 41 -5.088 4.162 -9.350 342 HG22 ILE 41 2HG2 ILE 41 -5.832 2.699 -10.021 343 HG23 ILE 41 3HG2 ILE 41 -5.574 4.103 -11.042 344 HD11 ILE 41 3HD1 ILE 41 -2.363 4.120 -8.452 345 HD12 ILE 41 1HD1 ILE 41 -2.404 2.690 -7.416 346 HD13 ILE 41 2HD1 ILE 41 -3.903 3.510 -7.830 347 H LYS 42 H LYS 42 -6.389 1.307 -11.937 348 HA LYS 42 HA LYS 42 -6.266 -0.893 -10.152 349 HB2 LYS 42 2HB LYS 42 -8.546 -1.414 -10.774 350 HB3 LYS 42 1HB LYS 42 -8.396 0.332 -10.641 351 HG2 LYS 42 2HG LYS 42 -8.304 0.523 -13.057 352 HG3 LYS 42 1HG LYS 42 -8.381 -1.232 -13.211 353 HD2 LYS 42 2HD LYS 42 -10.582 -1.185 -12.092 354 HD3 LYS 42 1HD LYS 42 -10.502 0.581 -12.070 355 HE2 LYS 42 2HE LYS 42 -10.340 0.607 -14.494 356 HE3 LYS 42 1HE LYS 42 -10.403 -1.154 -14.527 357 HZ1 LYS 42 3HZ LYS 42 -12.554 -0.277 -15.019 358 HZ2 LYS 42 1HZ LYS 42 -12.546 0.688 -13.636 359 HZ3 LYS 42 2HZ LYS 42 -12.627 -0.959 -13.463 360 H THR 43 H THR 43 -5.969 -0.585 -13.633 361 HA THR 43 HA THR 43 -5.974 -3.287 -14.318 362 HB THR 43 HB THR 43 -4.338 -1.093 -15.616 363 HG1 THR 43 1HG THR 43 -6.301 -0.761 -16.845 364 HG21 THR 43 3HG2 THR 43 -4.840 -2.354 -17.669 365 HG22 THR 43 1HG2 THR 43 -5.756 -3.527 -16.724 366 HG23 THR 43 2HG2 THR 43 -4.015 -3.375 -16.489 367 H SER 44 H SER 44 -3.414 -1.001 -13.463 368 HA SER 44 HA SER 44 -1.219 -2.680 -13.544 369 HB2 SER 44 2HB SER 44 -1.714 -0.431 -11.585 370 HB3 SER 44 1HB SER 44 -0.147 -1.082 -12.084 371 HG SER 44 HG SER 44 -0.814 -0.517 -14.262 372 H ILE 45 H ILE 45 -3.507 -2.088 -10.918 373 HA ILE 45 HA ILE 45 -2.422 -3.625 -8.861 374 HB ILE 45 HB ILE 45 -5.343 -3.154 -9.552 375 HG12 ILE 45 2HG1 ILE 45 -4.108 -1.088 -9.043 376 HG13 ILE 45 1HG1 ILE 45 -5.332 -1.421 -7.829 377 HG21 ILE 45 1HG2 ILE 45 -4.244 -4.236 -6.978 378 HG22 ILE 45 2HG2 ILE 45 -5.255 -5.098 -8.144 379 HG23 ILE 45 3HG2 ILE 45 -5.911 -3.727 -7.241 380 HD11 ILE 45 3HD1 ILE 45 -3.286 -0.590 -6.828 381 HD12 ILE 45 1HD1 ILE 45 -2.380 -1.916 -7.556 382 HD13 ILE 45 2HD1 ILE 45 -3.595 -2.256 -6.326 383 H ILE 46 H ILE 46 -4.561 -4.587 -11.508 384 HA ILE 46 HA ILE 46 -5.160 -7.191 -10.813 385 HB ILE 46 HB ILE 46 -4.676 -6.158 -13.625 386 HG12 ILE 46 2HG1 ILE 46 -7.235 -6.364 -12.028 387 HG13 ILE 46 1HG1 ILE 46 -6.371 -4.871 -12.364 388 HG21 ILE 46 1HG2 ILE 46 -4.680 -8.597 -13.575 389 HG22 ILE 46 2HG2 ILE 46 -6.141 -7.999 -14.358 390 HG23 ILE 46 3HG2 ILE 46 -6.212 -8.593 -12.699 391 HD11 ILE 46 3HD1 ILE 46 -8.282 -5.108 -13.831 392 HD12 ILE 46 1HD1 ILE 46 -7.680 -6.670 -14.390 393 HD13 ILE 46 2HD1 ILE 46 -6.788 -5.199 -14.765 394 H TYR 47 H TYR 47 -2.379 -6.090 -12.745 395 HA TYR 47 HA TYR 47 -1.352 -8.666 -13.295 396 HB2 TYR 47 2HB TYR 47 0.319 -6.171 -13.025 397 HB3 TYR 47 1HB TYR 47 0.701 -7.611 -13.943 398 HD1 TYR 47 2HD TYR 47 -1.058 -8.170 -15.862 399 HD2 TYR 47 1HD TYR 47 -0.464 -4.383 -14.080 400 HE1 TYR 47 2HE TYR 47 -2.026 -7.097 -17.850 401 HE2 TYR 47 1HE TYR 47 -1.405 -3.275 -16.014 402 HH TYR 47 HH TYR 47 -1.812 -3.695 -18.332 403 H VAL 48 H VAL 48 -0.440 -6.260 -10.927 404 HA VAL 48 HA VAL 48 1.706 -7.651 -9.796 405 HB VAL 48 HB VAL 48 0.032 -5.421 -8.625 406 HG11 VAL 48 1HG1 VAL 48 2.828 -6.308 -7.923 407 HG12 VAL 48 2HG1 VAL 48 1.398 -6.548 -6.920 408 HG13 VAL 48 3HG1 VAL 48 1.981 -4.913 -7.254 409 HG21 VAL 48 3HG2 VAL 48 0.936 -4.833 -10.777 410 HG22 VAL 48 1HG2 VAL 48 2.532 -5.403 -10.290 411 HG23 VAL 48 2HG2 VAL 48 1.835 -3.984 -9.519 412 H TYR 49 H TYR 49 -1.694 -7.415 -8.772 413 HA TYR 49 HA TYR 49 -1.253 -8.942 -6.452 414 HB2 TYR 49 2HB TYR 49 -3.749 -8.038 -7.875 415 HB3 TYR 49 1HB TYR 49 -3.817 -9.068 -6.449 416 HD1 TYR 49 2HD TYR 49 -1.446 -6.247 -7.054 417 HD2 TYR 49 1HD TYR 49 -4.825 -7.627 -4.880 418 HE1 TYR 49 2HE TYR 49 -1.296 -4.281 -5.608 419 HE2 TYR 49 1HE TYR 49 -4.684 -5.648 -3.421 420 HH TYR 49 HH TYR 49 -2.701 -2.971 -4.156 421 H SER 50 H SER 50 -2.121 -9.716 -9.752 422 HA SER 50 HA SER 50 -2.831 -12.420 -9.205 423 HB2 SER 50 2HB SER 50 -3.564 -11.189 -11.270 424 HB3 SER 50 1HB SER 50 -1.890 -11.174 -11.808 425 HG SER 50 HG SER 50 -2.021 -13.169 -12.361 426 H SER 51 H SER 51 0.104 -10.698 -9.908 427 HA SER 51 HA SER 51 1.721 -12.971 -10.354 428 HB2 SER 51 2HB SER 51 2.354 -10.776 -11.209 429 HB3 SER 51 1HB SER 51 2.420 -10.131 -9.574 430 HG SER 51 HG SER 51 4.454 -10.762 -10.605 431 H HIS 52 H HIS 52 1.247 -10.840 -7.554 432 HA HIS 52 HA HIS 52 2.920 -12.693 -6.008 433 HB2 HIS 52 2HB HIS 52 2.073 -9.876 -5.254 434 HB3 HIS 52 1HB HIS 52 3.253 -10.872 -4.417 435 HD1 HIS 52 1HD HIS 52 5.651 -11.187 -5.707 436 HD2 HIS 52 2HD HIS 52 3.025 -8.426 -7.398 437 HE1 HIS 52 1HE HIS 52 7.030 -9.777 -7.243 438 HE2 HIS 52 2HE HIS 52 5.399 -8.208 -8.361 439 H LEU 53 H LEU 53 0.410 -13.592 -6.584 440 HA LEU 53 HA LEU 53 -1.770 -13.103 -4.982 441 HB2 LEU 53 2HB LEU 53 -0.756 -15.727 -6.034 442 HB3 LEU 53 1HB LEU 53 -2.284 -15.565 -5.208 443 HG LEU 53 HG LEU 53 -1.600 -14.107 -7.751 444 HD11 LEU 53 1HD1 LEU 53 -1.584 -16.534 -8.107 445 HD12 LEU 53 2HD1 LEU 53 -3.003 -15.800 -8.851 446 HD13 LEU 53 3HD1 LEU 53 -3.157 -16.665 -7.320 447 HD21 LEU 53 3HD2 LEU 53 -3.366 -13.060 -6.435 448 HD22 LEU 53 1HD2 LEU 53 -4.213 -14.605 -6.315 449 HD23 LEU 53 2HD2 LEU 53 -4.034 -13.816 -7.879 450 H ASP 54 H ASP 54 1.013 -15.053 -4.198 451 HA ASP 54 HA ASP 54 0.160 -16.374 -1.940 452 HB2 ASP 54 2HB ASP 54 2.250 -16.934 -2.942 453 HB3 ASP 54 1HB ASP 54 2.896 -15.328 -2.637 454 H GLU 55 H GLU 55 1.763 -13.184 -1.950 455 HA GLU 55 HA GLU 55 1.265 -12.918 0.851 456 HB2 GLU 55 2HB GLU 55 3.216 -11.852 -0.206 457 HB3 GLU 55 1HB GLU 55 2.141 -10.788 -1.101 458 HG2 GLU 55 2HG GLU 55 3.170 -9.706 0.856 459 HG3 GLU 55 1HG GLU 55 1.415 -9.734 0.924 460 H ILE 56 H ILE 56 -0.388 -11.940 -2.057 461 HA ILE 56 HA ILE 56 -2.120 -10.001 -0.958 462 HB ILE 56 HB ILE 56 -2.814 -11.890 -3.235 463 HG12 ILE 56 2HG1 ILE 56 -0.743 -10.758 -3.853 464 HG13 ILE 56 1HG1 ILE 56 -2.083 -10.065 -4.749 465 HG21 ILE 56 1HG2 ILE 56 -3.937 -9.176 -2.546 466 HG22 ILE 56 2HG2 ILE 56 -4.771 -10.713 -2.382 467 HG23 ILE 56 3HG2 ILE 56 -4.333 -10.104 -3.990 468 HD11 ILE 56 3HD1 ILE 56 -0.794 -8.836 -2.328 469 HD12 ILE 56 1HD1 ILE 56 -2.112 -8.146 -3.275 470 HD13 ILE 56 2HD1 ILE 56 -0.526 -8.367 -4.007 471 H ARG 57 H ARG 57 -2.450 -13.494 -1.252 472 HA ARG 57 HA ARG 57 -5.057 -13.579 -0.092 473 HB2 ARG 57 2HB ARG 57 -4.728 -16.033 0.055 474 HB3 ARG 57 1HB ARG 57 -4.327 -15.411 -1.543 475 HG2 ARG 57 2HG ARG 57 -1.973 -15.455 -0.983 476 HG3 ARG 57 1HG ARG 57 -2.353 -16.036 0.629 477 HD2 ARG 57 2HD ARG 57 -3.220 -18.093 -0.302 478 HD3 ARG 57 1HD ARG 57 -2.955 -17.483 -1.939 479 HE ARG 57 HE ARG 57 -0.602 -17.388 -0.356 480 HH11 ARG 57 1HH1 ARG 57 -2.543 -19.592 -2.315 481 HH12 ARG 57 2HH1 ARG 57 -1.240 -20.620 -2.711 482 HH21 ARG 57 1HH2 ARG 57 1.210 -18.743 -0.961 483 HH22 ARG 57 2HH2 ARG 57 0.944 -20.115 -1.935 484 H LYS 58 H LYS 58 -1.845 -13.744 1.180 485 HA LYS 58 HA LYS 58 -2.497 -14.667 3.755 486 HB2 LYS 58 2HB LYS 58 -0.270 -14.923 2.954 487 HB3 LYS 58 1HB LYS 58 -0.149 -13.231 2.532 488 HG2 LYS 58 2HG LYS 58 0.118 -12.613 4.818 489 HG3 LYS 58 1HG LYS 58 -0.290 -14.248 5.364 490 HD2 LYS 58 2HD LYS 58 1.717 -15.153 4.548 491 HD3 LYS 58 1HD LYS 58 2.016 -13.772 3.497 492 HE2 LYS 58 2HE LYS 58 2.041 -13.580 6.504 493 HE3 LYS 58 1HE LYS 58 3.480 -13.949 5.555 494 HZ1 LYS 58 3HZ LYS 58 3.321 -11.566 6.038 495 HZ2 LYS 58 1HZ LYS 58 1.823 -11.507 5.254 496 HZ3 LYS 58 2HZ LYS 58 3.159 -11.860 4.365 497 H ASN 59 H ASN 59 -1.937 -11.431 2.437 498 HA ASN 59 HA ASN 59 -3.369 -10.434 4.776 499 HB2 ASN 59 2HB ASN 59 -1.045 -9.166 3.370 500 HB3 ASN 59 1HB ASN 59 -2.182 -8.200 4.314 501 HD21 ASN 59 1HD2 ASN 59 0.333 -10.527 4.413 502 HD22 ASN 59 2HD2 ASN 59 0.429 -10.556 6.165 503 H LYS 60 H LYS 60 -4.954 -11.167 3.322 504 HA LYS 60 HA LYS 60 -5.690 -9.882 0.998 505 HB2 LYS 60 2HB LYS 60 -7.869 -10.809 1.197 506 HB3 LYS 60 1HB LYS 60 -6.720 -12.012 1.763 507 HG2 LYS 60 2HG LYS 60 -8.462 -10.253 3.477 508 HG3 LYS 60 1HG LYS 60 -8.793 -11.940 3.076 509 HD2 LYS 60 2HD LYS 60 -6.326 -11.034 4.567 510 HD3 LYS 60 1HD LYS 60 -7.808 -11.498 5.404 511 HE2 LYS 60 2HE LYS 60 -7.642 -13.716 4.480 512 HE3 LYS 60 1HE LYS 60 -6.233 -13.265 3.523 513 HZ1 LYS 60 3HZ LYS 60 -5.743 -14.504 5.575 514 HZ2 LYS 60 1HZ LYS 60 -6.287 -13.239 6.516 515 HZ3 LYS 60 2HZ LYS 60 -4.930 -13.048 5.529 516 H GLU 61 H GLU 61 -6.375 -8.897 4.326 517 HA GLU 61 HA GLU 61 -8.266 -6.910 3.666 518 HB2 GLU 61 2HB GLU 61 -6.491 -7.239 6.064 519 HB3 GLU 61 1HB GLU 61 -7.846 -6.133 5.942 520 HG2 GLU 61 2HG GLU 61 -9.394 -7.927 5.784 521 HG3 GLU 61 1HG GLU 61 -8.089 -9.104 5.649 522 H PHE 62 H PHE 62 -4.798 -6.969 4.203 523 HA PHE 62 HA PHE 62 -4.354 -4.184 4.246 524 HB2 PHE 62 2HB PHE 62 -2.709 -5.879 5.058 525 HB3 PHE 62 1HB PHE 62 -2.477 -6.401 3.396 526 HD1 PHE 62 2HD PHE 62 -2.034 -3.511 5.683 527 HD2 PHE 62 1HD PHE 62 -0.890 -5.343 2.011 528 HE1 PHE 62 2HE PHE 62 -0.235 -1.868 5.419 529 HE2 PHE 62 1HE PHE 62 0.904 -3.707 1.752 530 HZ PHE 62 HZ PHE 62 1.239 -1.963 3.449 531 H TYR 63 H TYR 63 -4.050 -6.605 1.695 532 HA TYR 63 HA TYR 63 -3.429 -4.644 -0.243 533 HB2 TYR 63 2HB TYR 63 -3.967 -7.583 -0.504 534 HB3 TYR 63 1HB TYR 63 -3.522 -6.550 -1.868 535 HD1 TYR 63 1HD TYR 63 -1.352 -5.291 -1.778 536 HD2 TYR 63 2HD TYR 63 -2.299 -8.370 0.989 537 HE1 TYR 63 1HE TYR 63 1.030 -5.459 -1.157 538 HE2 TYR 63 2HE TYR 63 0.052 -8.546 1.613 539 HH TYR 63 HH TYR 63 2.220 -8.046 0.706 540 H ASP 64 H ASP 64 -6.417 -6.010 0.792 541 HA ASP 64 HA ASP 64 -7.868 -5.142 -1.501 542 HB2 ASP 64 2HB ASP 64 -8.715 -6.866 0.090 543 HB3 ASP 64 1HB ASP 64 -8.887 -5.620 1.313 544 H MET 65 H MET 65 -7.382 -3.784 1.741 545 HA MET 65 HA MET 65 -8.779 -1.415 1.211 546 HB2 MET 65 2HB MET 65 -6.778 -2.077 3.365 547 HB3 MET 65 1HB MET 65 -7.598 -0.523 3.270 548 HG2 MET 65 2HG MET 65 -9.762 -1.747 3.351 549 HG3 MET 65 1HG MET 65 -8.856 -3.225 3.618 550 HE1 MET 65 3HE MET 65 -6.585 -2.561 5.580 551 HE2 MET 65 1HE MET 65 -7.696 -3.896 5.876 552 HE3 MET 65 2HE MET 65 -7.335 -2.747 7.167 553 H ILE 66 H ILE 66 -5.240 -2.082 1.089 554 HA ILE 66 HA ILE 66 -4.690 0.611 0.485 555 HB ILE 66 HB ILE 66 -2.462 -0.014 -0.315 556 HG12 ILE 66 2HG1 ILE 66 -3.235 -2.852 0.193 557 HG13 ILE 66 1HG1 ILE 66 -3.159 -2.171 -1.433 558 HG21 ILE 66 1HG2 ILE 66 -3.239 -1.453 2.199 559 HG22 ILE 66 2HG2 ILE 66 -2.776 0.241 2.051 560 HG23 ILE 66 3HG2 ILE 66 -1.593 -1.029 1.729 561 HD11 ILE 66 3HD1 ILE 66 -1.139 -3.428 -0.938 562 HD12 ILE 66 1HD1 ILE 66 -0.882 -2.478 0.525 563 HD13 ILE 66 2HD1 ILE 66 -0.754 -1.709 -1.056 564 H ALA 67 H ALA 67 -5.581 -2.064 -1.582 565 HA ALA 67 HA ALA 67 -4.778 -1.010 -4.022 566 HB1 ALA 67 1HB ALA 67 -5.639 -3.287 -3.760 567 HB2 ALA 67 2HB ALA 67 -6.453 -2.417 -5.065 568 HB3 ALA 67 3HB ALA 67 -7.256 -2.631 -3.507 569 H GLU 68 H GLU 68 -7.845 -0.454 -2.286 570 HA GLU 68 HA GLU 68 -8.598 1.353 -4.380 571 HB2 GLU 68 2HB GLU 68 -10.578 1.938 -3.038 572 HB3 GLU 68 1HB GLU 68 -10.404 0.211 -3.275 573 HG2 GLU 68 2HG GLU 68 -9.580 -0.025 -1.008 574 HG3 GLU 68 1HG GLU 68 -9.698 1.722 -0.773 575 H ILE 69 H ILE 69 -7.106 1.730 -1.240 576 HA ILE 69 HA ILE 69 -7.260 4.535 -1.017 577 HB ILE 69 HB ILE 69 -5.046 2.670 -0.085 578 HG12 ILE 69 2HG1 ILE 69 -7.304 3.915 1.479 579 HG13 ILE 69 1HG1 ILE 69 -7.279 2.242 0.911 580 HG21 ILE 69 1HG2 ILE 69 -4.333 4.442 1.449 581 HG22 ILE 69 2HG2 ILE 69 -5.523 5.533 0.749 582 HG23 ILE 69 3HG2 ILE 69 -4.180 4.947 -0.237 583 HD11 ILE 69 3HD1 ILE 69 -5.395 3.514 2.879 584 HD12 ILE 69 1HD1 ILE 69 -5.305 1.853 2.297 585 HD13 ILE 69 2HD1 ILE 69 -6.692 2.375 3.247 586 H LEU 70 H LEU 70 -4.877 2.454 -2.559 587 HA LEU 70 HA LEU 70 -3.036 4.337 -3.422 588 HB2 LEU 70 2HB LEU 70 -3.877 1.748 -4.728 589 HB3 LEU 70 1HB LEU 70 -2.494 2.690 -5.219 590 HG LEU 70 HG LEU 70 -2.786 1.534 -2.449 591 HD11 LEU 70 1HD1 LEU 70 -1.290 0.429 -4.813 592 HD12 LEU 70 2HD1 LEU 70 -2.724 -0.277 -4.068 593 HD13 LEU 70 3HD1 LEU 70 -1.212 -0.189 -3.164 594 HD21 LEU 70 3HD2 LEU 70 -0.421 2.653 -3.945 595 HD22 LEU 70 1HD2 LEU 70 -0.383 1.940 -2.335 596 HD23 LEU 70 2HD2 LEU 70 -1.276 3.431 -2.612 597 H GLN 71 H GLN 71 -5.939 3.189 -5.012 598 HA GLN 71 HA GLN 71 -5.562 4.728 -7.378 599 HB2 GLN 71 2HB GLN 71 -8.147 3.678 -6.240 600 HB3 GLN 71 1HB GLN 71 -7.845 4.152 -7.904 601 HG2 GLN 71 2HG GLN 71 -6.223 2.320 -8.113 602 HG3 GLN 71 1HG GLN 71 -6.570 1.846 -6.461 603 HE21 GLN 71 1HE2 GLN 71 -7.343 -0.127 -6.971 604 HE22 GLN 71 2HE2 GLN 71 -8.835 -0.380 -7.817 605 H ARG 72 H ARG 72 -7.580 5.180 -4.491 606 HA ARG 72 HA ARG 72 -8.855 7.514 -5.204 607 HB2 ARG 72 2HB ARG 72 -9.449 5.848 -3.476 608 HB3 ARG 72 1HB ARG 72 -8.073 6.379 -2.563 609 HG2 ARG 72 2HG ARG 72 -9.024 8.381 -1.991 610 HG3 ARG 72 1HG ARG 72 -10.237 8.290 -3.280 611 HD2 ARG 72 2HD ARG 72 -10.029 6.363 -0.987 612 HD3 ARG 72 1HD ARG 72 -11.124 7.745 -1.055 613 HE ARG 72 HE ARG 72 -11.956 6.669 -3.178 614 HH11 ARG 72 1HH1 ARG 72 -10.768 4.682 -0.484 615 HH12 ARG 72 2HH1 ARG 72 -11.766 3.345 -0.838 616 HH21 ARG 72 1HH2 ARG 72 -13.326 4.815 -3.648 617 HH22 ARG 72 2HH2 ARG 72 -13.246 3.441 -2.648 618 H TYR 73 H TYR 73 -5.925 6.989 -3.249 619 HA TYR 73 HA TYR 73 -5.664 9.805 -2.990 620 HB2 TYR 73 2HB TYR 73 -4.204 7.539 -1.717 621 HB3 TYR 73 1HB TYR 73 -3.560 9.181 -1.643 622 HD1 TYR 73 1HD TYR 73 -6.343 7.004 -0.620 623 HD2 TYR 73 2HD TYR 73 -4.619 10.881 -0.369 624 HE1 TYR 73 1HE TYR 73 -7.884 7.571 1.212 625 HE2 TYR 73 2HE TYR 73 -6.141 11.450 1.462 626 HH TYR 73 HH TYR 73 -7.902 9.233 3.139 627 H TYR 74 H TYR 74 -4.417 7.519 -5.206 628 HA TYR 74 HA TYR 74 -2.193 9.115 -5.902 629 HB2 TYR 74 2HB TYR 74 -1.777 7.329 -7.235 630 HB3 TYR 74 1HB TYR 74 -3.359 6.684 -6.864 631 HD1 TYR 74 2HD TYR 74 -1.414 8.668 -9.304 632 HD2 TYR 74 1HD TYR 74 -5.120 6.767 -8.456 633 HE1 TYR 74 2HE TYR 74 -2.075 8.911 -11.658 634 HE2 TYR 74 1HE TYR 74 -5.786 7.002 -10.788 635 HH TYR 74 HH TYR 74 -3.575 7.999 -13.241 636 H LYS 75 H LYS 75 -5.554 9.248 -6.539 637 HA LYS 75 HA LYS 75 -5.384 11.341 -8.487 638 HB2 LYS 75 2HB LYS 75 -7.727 10.380 -6.832 639 HB3 LYS 75 1HB LYS 75 -7.829 11.483 -8.196 640 HG2 LYS 75 2HG LYS 75 -7.045 9.736 -9.692 641 HG3 LYS 75 1HG LYS 75 -6.869 8.634 -8.331 642 HD2 LYS 75 2HD LYS 75 -9.281 8.767 -7.910 643 HD3 LYS 75 1HD LYS 75 -9.455 9.875 -9.272 644 HE2 LYS 75 2HE LYS 75 -8.597 8.138 -10.777 645 HE3 LYS 75 1HE LYS 75 -8.450 7.033 -9.411 646 HZ1 LYS 75 3HZ LYS 75 -10.876 7.177 -9.126 647 HZ2 LYS 75 1HZ LYS 75 -10.461 6.616 -10.658 648 HZ3 LYS 75 2HZ LYS 75 -10.978 8.195 -10.469 649 H LYS 76 H LYS 76 -6.106 11.089 -5.034 650 HA LYS 76 HA LYS 76 -6.660 13.860 -4.726 651 HB2 LYS 76 2HB LYS 76 -7.659 12.146 -3.253 652 HB3 LYS 76 1HB LYS 76 -6.075 11.815 -2.579 653 HG2 LYS 76 2HG LYS 76 -5.983 14.011 -1.575 654 HG3 LYS 76 1HG LYS 76 -7.486 14.473 -2.380 655 HD2 LYS 76 2HD LYS 76 -8.676 12.709 -1.124 656 HD3 LYS 76 1HD LYS 76 -7.177 12.301 -0.299 657 HE2 LYS 76 2HE LYS 76 -8.504 15.016 -0.172 658 HE3 LYS 76 1HE LYS 76 -8.744 13.752 1.025 659 HZ1 LYS 76 3HZ LYS 76 -6.489 13.888 1.684 660 HZ2 LYS 76 1HZ LYS 76 -7.108 15.424 1.675 661 HZ3 LYS 76 2HZ LYS 76 -6.072 14.979 0.430 662 H ILE 77 H ILE 77 -3.704 11.967 -3.985 663 HA ILE 77 HA ILE 77 -2.381 14.562 -3.581 664 HB ILE 77 HB ILE 77 -0.890 13.560 -1.862 665 HG12 ILE 77 2HG1 ILE 77 -2.869 11.269 -1.926 666 HG13 ILE 77 1HG1 ILE 77 -1.203 11.190 -2.477 667 HG21 ILE 77 1HG2 ILE 77 -2.516 13.651 -0.023 668 HG22 ILE 77 2HG2 ILE 77 -3.829 13.549 -1.194 669 HG23 ILE 77 3HG2 ILE 77 -2.759 14.950 -1.192 670 HD11 ILE 77 3HD1 ILE 77 -0.432 11.605 -0.202 671 HD12 ILE 77 1HD1 ILE 77 -1.456 10.175 -0.300 672 HD13 ILE 77 2HD1 ILE 77 -2.106 11.681 0.349 673 H GLY 78 H GLY 78 -2.081 11.345 -4.886 674 HA2 GLY 78 2HA GLY 78 -0.714 11.387 -6.997 675 HA3 GLY 78 1HA GLY 78 0.529 12.157 -6.016 676 H ILE 79 H ILE 79 0.463 9.535 -7.516 677 HA ILE 79 HA ILE 79 0.102 7.429 -5.685 678 HB ILE 79 HB ILE 79 0.008 7.029 -8.143 679 HG12 ILE 79 2HG1 ILE 79 1.302 4.899 -8.208 680 HG13 ILE 79 1HG1 ILE 79 2.100 5.396 -6.719 681 HG21 ILE 79 1HG2 ILE 79 2.996 7.375 -8.109 682 HG22 ILE 79 2HG2 ILE 79 1.830 8.448 -8.879 683 HG23 ILE 79 3HG2 ILE 79 2.036 6.799 -9.472 684 HD11 ILE 79 3HD1 ILE 79 0.302 3.774 -6.336 685 HD12 ILE 79 1HD1 ILE 79 -0.859 4.908 -7.020 686 HD13 ILE 79 2HD1 ILE 79 -0.007 5.305 -5.525 687 H GLU 80 H GLU 80 2.936 9.295 -6.502 688 HA GLU 80 HA GLU 80 4.965 7.721 -5.371 689 HB2 GLU 80 2HB GLU 80 4.734 10.720 -5.449 690 HB3 GLU 80 1HB GLU 80 6.208 9.797 -5.227 691 HG2 GLU 80 2HG GLU 80 6.124 8.989 -7.454 692 HG3 GLU 80 1HG GLU 80 4.510 9.653 -7.703 693 H ASN 81 H ASN 81 2.916 10.211 -4.114 694 HA ASN 81 HA ASN 81 4.027 10.374 -1.521 695 HB2 ASN 81 2HB ASN 81 1.412 11.312 -2.676 696 HB3 ASN 81 1HB ASN 81 1.853 11.632 -1.009 697 HD21 ASN 81 1HD2 ASN 81 1.384 13.512 -3.233 698 HD22 ASN 81 2HD2 ASN 81 2.851 14.396 -3.373 699 H VAL 82 H VAL 82 1.316 8.637 -2.904 700 HA VAL 82 HA VAL 82 0.359 7.625 -0.440 701 HB VAL 82 HB VAL 82 0.041 6.240 -3.112 702 HG11 VAL 82 1HG1 VAL 82 -1.650 6.249 -0.616 703 HG12 VAL 82 2HG1 VAL 82 -0.667 4.913 -1.210 704 HG13 VAL 82 3HG1 VAL 82 -2.079 5.451 -2.123 705 HG21 VAL 82 3HG2 VAL 82 -0.624 8.545 -3.381 706 HG22 VAL 82 1HG2 VAL 82 -1.621 8.442 -1.929 707 HG23 VAL 82 2HG2 VAL 82 -2.047 7.500 -3.358 708 H ASN 83 H ASN 83 2.621 6.399 -2.848 709 HA ASN 83 HA ASN 83 3.156 3.857 -1.837 710 HB2 ASN 83 2HB ASN 83 4.923 5.841 -3.240 711 HB3 ASN 83 1HB ASN 83 5.620 4.365 -2.604 712 HD21 ASN 83 1HD2 ASN 83 2.407 4.567 -4.095 713 HD22 ASN 83 2HD2 ASN 83 2.881 3.664 -5.498 714 H GLN 84 H GLN 84 4.645 6.917 -0.999 715 HA GLN 84 HA GLN 84 6.466 5.963 0.922 716 HB2 GLN 84 2HB GLN 84 6.189 8.284 -0.337 717 HB3 GLN 84 1HB GLN 84 5.247 8.684 1.085 718 HG2 GLN 84 2HG GLN 84 8.122 7.798 1.108 719 HG3 GLN 84 1HG GLN 84 7.588 9.476 1.218 720 HE21 GLN 84 1HE2 GLN 84 8.085 6.498 2.814 721 HE22 GLN 84 2HE2 GLN 84 7.704 7.013 4.409 722 H LEU 85 H LEU 85 3.180 7.294 1.186 723 HA LEU 85 HA LEU 85 3.104 7.212 3.997 724 HB2 LEU 85 2HB LEU 85 0.845 7.328 2.010 725 HB3 LEU 85 1HB LEU 85 0.664 7.567 3.740 726 HG LEU 85 HG LEU 85 2.340 9.310 1.926 727 HD11 LEU 85 1HD1 LEU 85 -0.018 9.569 1.458 728 HD12 LEU 85 2HD1 LEU 85 0.643 10.998 2.247 729 HD13 LEU 85 3HD1 LEU 85 -0.338 9.858 3.167 730 HD21 LEU 85 3HD2 LEU 85 3.213 9.276 4.191 731 HD22 LEU 85 1HD2 LEU 85 1.604 9.602 4.839 732 HD23 LEU 85 2HD2 LEU 85 2.427 10.819 3.868 733 H ILE 86 H ILE 86 2.130 4.826 1.591 734 HA ILE 86 HA ILE 86 0.955 3.021 3.435 735 HB ILE 86 HB ILE 86 2.331 2.410 0.788 736 HG12 ILE 86 2HG1 ILE 86 0.421 3.887 0.478 737 HG13 ILE 86 1HG1 ILE 86 0.047 2.290 -0.149 738 HG21 ILE 86 1HG2 ILE 86 2.220 0.393 2.144 739 HG22 ILE 86 2HG2 ILE 86 1.099 0.282 0.787 740 HG23 ILE 86 3HG2 ILE 86 0.493 0.641 2.402 741 HD11 ILE 86 3HD1 ILE 86 -0.906 3.452 2.468 742 HD12 ILE 86 1HD1 ILE 86 -1.258 1.824 1.885 743 HD13 ILE 86 2HD1 ILE 86 -1.860 3.226 1.004 744 H LEU 87 H LEU 87 4.249 3.427 2.244 745 HA LEU 87 HA LEU 87 5.404 1.310 3.689 746 HB2 LEU 87 2HB LEU 87 6.622 3.915 2.756 747 HB3 LEU 87 1HB LEU 87 7.548 2.560 3.371 748 HG LEU 87 HG LEU 87 5.859 2.542 0.867 749 HD11 LEU 87 1HD1 LEU 87 7.875 3.853 0.586 750 HD12 LEU 87 2HD1 LEU 87 7.966 2.328 -0.303 751 HD13 LEU 87 3HD1 LEU 87 8.840 2.513 1.218 752 HD21 LEU 87 3HD2 LEU 87 7.620 0.457 2.095 753 HD22 LEU 87 1HD2 LEU 87 6.899 0.352 0.481 754 HD23 LEU 87 2HD2 LEU 87 5.861 0.387 1.911 755 H THR 88 H THR 88 4.837 4.648 4.472 756 HA THR 88 HA THR 88 5.996 4.800 6.994 757 HB THR 88 HB THR 88 3.539 6.200 5.913 758 HG1 THR 88 1HG THR 88 5.396 6.603 4.673 759 HG21 THR 88 3HG2 THR 88 3.646 6.408 8.353 760 HG22 THR 88 1HG2 THR 88 4.029 7.952 7.588 761 HG23 THR 88 2HG2 THR 88 5.322 6.941 8.240 762 H THR 89 H THR 89 2.943 3.430 5.975 763 HA THR 89 HA THR 89 1.764 3.266 8.540 764 HB THR 89 HB THR 89 1.097 1.587 6.100 765 HG1 THR 89 1HG THR 89 1.081 3.936 5.702 766 HG21 THR 89 3HG2 THR 89 0.037 0.888 8.224 767 HG22 THR 89 1HG2 THR 89 -1.132 1.564 7.088 768 HG23 THR 89 2HG2 THR 89 -0.566 2.536 8.433 769 H ILE 90 H ILE 90 3.487 0.884 6.503 770 HA ILE 90 HA ILE 90 3.279 -1.108 8.549 771 HB ILE 90 HB ILE 90 4.778 -2.502 7.132 772 HG12 ILE 90 2HG1 ILE 90 4.657 -0.147 5.230 773 HG13 ILE 90 1HG1 ILE 90 6.091 -0.674 6.099 774 HG21 ILE 90 1HG2 ILE 90 2.378 -2.630 6.880 775 HG22 ILE 90 2HG2 ILE 90 3.161 -2.804 5.310 776 HG23 ILE 90 3HG2 ILE 90 2.403 -1.272 5.751 777 HD11 ILE 90 3HD1 ILE 90 6.037 -2.787 4.882 778 HD12 ILE 90 1HD1 ILE 90 6.146 -1.402 3.797 779 HD13 ILE 90 2HD1 ILE 90 4.603 -2.248 4.003 780 H LYS 91 H LYS 91 5.601 1.325 7.784 781 HA LYS 91 HA LYS 91 7.575 0.182 9.556 782 HB2 LYS 91 2HB LYS 91 7.455 2.926 8.266 783 HB3 LYS 91 1HB LYS 91 8.794 2.358 9.240 784 HG2 LYS 91 2HG LYS 91 7.965 0.877 6.760 785 HG3 LYS 91 1HG LYS 91 8.968 2.313 6.653 786 HD2 LYS 91 2HD LYS 91 10.333 0.333 6.580 787 HD3 LYS 91 1HD LYS 91 10.674 1.190 8.085 788 HE2 LYS 91 2HE LYS 91 9.243 -0.453 9.256 789 HE3 LYS 91 1HE LYS 91 8.988 -1.302 7.712 790 HZ1 LYS 91 3HZ LYS 91 10.675 -2.357 9.033 791 HZ2 LYS 91 1HZ LYS 91 11.512 -0.913 9.217 792 HZ3 LYS 91 2HZ LYS 91 11.440 -1.645 7.713 793 H LEU 92 H LEU 92 4.757 1.695 9.902 794 HA LEU 92 HA LEU 92 3.772 2.972 11.302 795 HB2 LEU 92 2HB LEU 92 3.713 1.876 13.688 796 HB3 LEU 92 1HB LEU 92 2.973 1.137 12.290 797 HG LEU 92 HG LEU 92 5.045 -0.311 12.093 798 HD11 LEU 92 1HD1 LEU 92 6.390 -0.652 14.097 799 HD12 LEU 92 2HD1 LEU 92 5.623 0.753 14.841 800 HD13 LEU 92 3HD1 LEU 92 6.613 0.946 13.391 801 HD21 LEU 92 3HD2 LEU 92 2.964 -1.167 12.967 802 HD22 LEU 92 1HD2 LEU 92 3.366 -0.569 14.575 803 HD23 LEU 92 2HD2 LEU 92 4.326 -1.855 13.848 804 H GLU 93 H GLU 93 5.936 2.507 13.951 805 HA GLU 93 HA GLU 93 5.718 5.309 14.326 806 HB2 GLU 93 2HB GLU 93 7.058 3.215 15.992 807 HB3 GLU 93 1HB GLU 93 6.960 4.908 16.446 808 HG2 GLU 93 2HG GLU 93 4.689 2.963 16.100 809 HG3 GLU 93 1HG GLU 93 5.252 3.702 17.594 810 H HIS 94 H HIS 94 6.813 6.183 12.714 811 HA HIS 94 HA HIS 94 9.547 6.839 13.217 812 HB2 HIS 94 2HB HIS 94 9.759 4.590 12.002 813 HB3 HIS 94 1HB HIS 94 8.988 5.337 10.614 814 HD1 HIS 94 1HD HIS 94 12.228 5.339 12.549 815 HD2 HIS 94 2HD HIS 94 10.688 6.931 9.037 816 HE1 HIS 94 1HE HIS 94 14.191 6.207 11.291 817 HE2 HIS 94 2HE HIS 94 13.114 7.605 9.549 818 H HIS 95 H HIS 95 6.827 7.987 12.860 819 HA HIS 95 HA HIS 95 7.476 9.850 10.723 820 HB2 HIS 95 2HB HIS 95 5.905 8.337 9.718 821 HB3 HIS 95 1HB HIS 95 4.810 8.473 11.086 822 HD1 HIS 95 1HD HIS 95 2.862 9.861 10.531 823 HD2 HIS 95 2HD HIS 95 6.236 11.154 8.487 824 HE1 HIS 95 1HE HIS 95 2.107 11.818 9.142 825 HE2 HIS 95 2HE HIS 95 4.138 12.559 7.892 826 H HIS 96 H HIS 96 7.931 11.554 11.882 827 HA HIS 96 HA HIS 96 5.782 12.727 13.492 828 HB2 HIS 96 2HB HIS 96 8.765 12.790 14.110 829 HB3 HIS 96 1HB HIS 96 7.584 13.814 14.912 830 HD1 HIS 96 1HD HIS 96 6.034 12.677 16.680 831 HD2 HIS 96 2HD HIS 96 8.803 10.110 14.937 832 HE1 HIS 96 1HE HIS 96 5.972 10.581 18.042 833 HE2 HIS 96 2HE HIS 96 7.541 9.003 16.880 834 H HIS 97 H HIS 97 5.588 15.000 13.177 835 HA HIS 97 HA HIS 97 6.940 15.715 10.678 836 HB2 HIS 97 2HB HIS 97 4.442 15.494 10.563 837 HB3 HIS 97 1HB HIS 97 4.320 16.878 11.641 838 HD1 HIS 97 1HD HIS 97 5.162 15.954 8.090 839 HD2 HIS 97 2HD HIS 97 4.849 19.346 10.458 840 HE1 HIS 97 1HE HIS 97 5.215 17.874 6.513 841 HE2 HIS 97 2HE HIS 97 4.664 19.851 7.942 842 H HIS 98 H HIS 98 6.053 17.077 13.848 843 HA HIS 98 HA HIS 98 8.390 18.676 13.636 844 HB2 HIS 98 2HB HIS 98 7.395 20.883 14.088 845 HB3 HIS 98 1HB HIS 98 6.886 20.244 12.538 846 HD1 HIS 98 1HD HIS 98 5.604 21.647 15.683 847 HD2 HIS 98 2HD HIS 98 4.117 19.395 12.524 848 HE1 HIS 98 1HE HIS 98 3.139 21.845 15.830 849 HE2 HIS 98 2HE HIS 98 2.320 20.789 13.710 850 H HIS 99 H HIS 99 9.375 18.133 15.308 851 HA HIS 99 HA HIS 99 8.731 19.086 17.824 852 HB2 HIS 99 2HB HIS 99 7.178 17.047 17.814 853 HB3 HIS 99 1HB HIS 99 8.611 16.043 17.645 854 HD1 HIS 99 1HD HIS 99 9.996 15.616 19.786 855 HD2 HIS 99 2HD HIS 99 6.886 18.310 20.337 856 HE1 HIS 99 1HE HIS 99 9.796 15.917 22.257 857 HE2 HIS 99 2HE HIS 99 8.099 17.724 22.547 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -6.118 15.246 7.126 2 H2 MET 1 2HT MET 1 -6.170 16.889 7.425 3 H3 MET 1 3HT MET 1 -4.695 16.056 7.417 4 HA MET 1 HA MET 1 -6.424 16.368 5.049 5 HB2 MET 1 2HB MET 1 -3.769 17.640 5.738 6 HB3 MET 1 1HB MET 1 -4.543 17.732 4.169 7 HG2 MET 1 2HG MET 1 -6.392 18.968 5.143 8 HG3 MET 1 1HG MET 1 -5.640 18.854 6.731 9 HE1 MET 1 2HE MET 1 -2.493 19.286 5.938 10 HE2 MET 1 3HE MET 1 -3.291 19.997 7.345 11 HE3 MET 1 1HE MET 1 -2.379 21.015 6.228 12 H SER 2 H SER 2 -4.894 15.960 3.092 13 HA SER 2 HA SER 2 -3.609 14.724 1.861 14 HB2 SER 2 2HB SER 2 -1.780 15.443 3.390 15 HB3 SER 2 1HB SER 2 -2.081 14.030 4.391 16 HG SER 2 HG SER 2 -1.026 14.205 1.796 17 H ILE 3 H ILE 3 -3.389 12.515 4.637 18 HA ILE 3 HA ILE 3 -5.139 10.669 3.190 19 HB ILE 3 HB ILE 3 -2.734 10.248 2.554 20 HG12 ILE 3 2HG1 ILE 3 -3.965 7.933 4.058 21 HG13 ILE 3 1HG1 ILE 3 -4.564 8.484 2.499 22 HG21 ILE 3 1HG2 ILE 3 -2.531 9.471 5.459 23 HG22 ILE 3 2HG2 ILE 3 -1.611 10.729 4.629 24 HG23 ILE 3 3HG2 ILE 3 -1.345 9.024 4.244 25 HD11 ILE 3 3HD1 ILE 3 -3.101 6.549 2.263 26 HD12 ILE 3 1HD1 ILE 3 -1.798 7.421 3.073 27 HD13 ILE 3 2HD1 ILE 3 -2.382 7.963 1.497 28 H LEU 4 H LEU 4 -4.196 12.037 6.168 29 HA LEU 4 HA LEU 4 -4.771 9.799 7.860 30 HB2 LEU 4 2HB LEU 4 -4.495 12.738 8.462 31 HB3 LEU 4 1HB LEU 4 -4.763 11.525 9.697 32 HG LEU 4 HG LEU 4 -2.356 11.714 7.894 33 HD11 LEU 4 1HD1 LEU 4 -1.178 12.396 9.931 34 HD12 LEU 4 2HD1 LEU 4 -2.697 12.357 10.824 35 HD13 LEU 4 3HD1 LEU 4 -2.465 13.532 9.527 36 HD21 LEU 4 3HD2 LEU 4 -2.838 9.427 8.542 37 HD22 LEU 4 1HD2 LEU 4 -2.940 9.910 10.237 38 HD23 LEU 4 2HD2 LEU 4 -1.406 10.028 9.380 39 H GLU 5 H GLU 5 -6.679 11.539 6.019 40 HA GLU 5 HA GLU 5 -8.955 12.050 7.712 41 HB2 GLU 5 2HB GLU 5 -8.640 12.078 4.723 42 HB3 GLU 5 1HB GLU 5 -9.985 12.746 5.629 43 HG2 GLU 5 2HG GLU 5 -8.595 14.432 6.571 44 HG3 GLU 5 1HG GLU 5 -7.150 13.675 5.906 45 H ASP 6 H ASP 6 -7.666 9.308 6.185 46 HA ASP 6 HA ASP 6 -10.250 8.372 5.248 47 HB2 ASP 6 2HB ASP 6 -8.021 8.168 3.949 48 HB3 ASP 6 1HB ASP 6 -7.758 6.774 4.986 49 HA PRO 7 HA PRO 7 -10.881 5.759 8.805 50 HB2 PRO 7 2HB PRO 7 -12.687 4.269 7.057 51 HB3 PRO 7 1HB PRO 7 -13.046 5.105 8.571 52 HG2 PRO 7 2HG PRO 7 -13.885 6.034 6.190 53 HG3 PRO 7 1HG PRO 7 -13.429 7.113 7.519 54 HD2 PRO 7 2HD PRO 7 -11.909 6.382 5.059 55 HD3 PRO 7 1HD PRO 7 -12.012 7.932 5.930 56 H GLU 8 H GLU 8 -10.138 4.506 5.538 57 HA GLU 8 HA GLU 8 -9.639 1.871 6.517 58 HB2 GLU 8 2HB GLU 8 -8.859 3.182 3.900 59 HB3 GLU 8 1HB GLU 8 -8.669 1.472 4.258 60 HG2 GLU 8 2HG GLU 8 -11.263 2.994 4.053 61 HG3 GLU 8 1HG GLU 8 -10.615 1.854 2.876 62 H PHE 9 H PHE 9 -7.785 4.722 5.797 63 HA PHE 9 HA PHE 9 -5.221 3.580 6.101 64 HB2 PHE 9 2HB PHE 9 -5.595 5.749 4.971 65 HB3 PHE 9 1HB PHE 9 -6.018 6.471 6.522 66 HD1 PHE 9 1HD PHE 9 -3.294 5.035 4.521 67 HD2 PHE 9 2HD PHE 9 -4.321 7.092 8.099 68 HE1 PHE 9 1HE PHE 9 -0.929 5.532 4.912 69 HE2 PHE 9 2HE PHE 9 -1.945 7.585 8.496 70 HZ PHE 9 HZ PHE 9 -0.247 6.809 6.895 71 H VAL 10 H VAL 10 -7.315 5.283 8.412 72 HA VAL 10 HA VAL 10 -5.459 5.110 10.518 73 HB VAL 10 HB VAL 10 -7.418 6.676 10.585 74 HG11 VAL 10 1HG1 VAL 10 -9.585 5.903 11.378 75 HG12 VAL 10 2HG1 VAL 10 -9.026 4.234 11.262 76 HG13 VAL 10 3HG1 VAL 10 -9.168 5.217 9.807 77 HG21 VAL 10 3HG2 VAL 10 -7.849 6.490 12.991 78 HG22 VAL 10 1HG2 VAL 10 -6.147 6.245 12.597 79 HG23 VAL 10 2HG2 VAL 10 -7.171 4.860 12.975 80 H LYS 11 H LYS 11 -7.892 2.874 9.379 81 HA LYS 11 HA LYS 11 -7.511 1.078 11.508 82 HB2 LYS 11 2HB LYS 11 -8.656 0.636 8.759 83 HB3 LYS 11 1HB LYS 11 -8.528 -0.661 9.944 84 HG2 LYS 11 2HG LYS 11 -9.852 0.772 11.515 85 HG3 LYS 11 1HG LYS 11 -10.119 1.876 10.177 86 HD2 LYS 11 2HD LYS 11 -10.913 -1.039 10.104 87 HD3 LYS 11 1HD LYS 11 -11.987 0.232 10.671 88 HE2 LYS 11 2HE LYS 11 -12.602 -0.172 8.431 89 HE3 LYS 11 1HE LYS 11 -11.667 1.310 8.390 90 HZ1 LYS 11 3HZ LYS 11 -9.742 -0.043 7.571 91 HZ2 LYS 11 1HZ LYS 11 -11.113 -0.080 6.596 92 HZ3 LYS 11 2HZ LYS 11 -10.746 -1.401 7.559 93 H LEU 12 H LEU 12 -5.863 1.466 8.413 94 HA LEU 12 HA LEU 12 -4.292 -0.848 8.532 95 HB2 LEU 12 2HB LEU 12 -3.612 1.858 7.383 96 HB3 LEU 12 1HB LEU 12 -2.595 0.449 7.219 97 HG LEU 12 HG LEU 12 -5.398 0.662 6.126 98 HD11 LEU 12 1HD1 LEU 12 -3.861 2.177 4.988 99 HD12 LEU 12 2HD1 LEU 12 -4.260 0.791 3.966 100 HD13 LEU 12 3HD1 LEU 12 -2.705 0.858 4.787 101 HD21 LEU 12 3HD2 LEU 12 -4.731 -1.628 6.650 102 HD22 LEU 12 1HD2 LEU 12 -3.233 -1.402 5.745 103 HD23 LEU 12 2HD2 LEU 12 -4.786 -1.365 4.911 104 H ARG 13 H ARG 13 -3.783 2.302 9.985 105 HA ARG 13 HA ARG 13 -1.220 1.853 11.066 106 HB2 ARG 13 2HB ARG 13 -3.467 3.669 11.888 107 HB3 ARG 13 1HB ARG 13 -1.995 3.574 12.833 108 HG2 ARG 13 2HG ARG 13 -2.146 4.358 9.925 109 HG3 ARG 13 1HG ARG 13 -1.994 5.477 11.283 110 HD2 ARG 13 2HD ARG 13 0.090 4.202 11.931 111 HD3 ARG 13 1HD ARG 13 -0.022 3.394 10.371 112 HE ARG 13 HE ARG 13 -0.104 6.181 10.016 113 HH11 ARG 13 1HH1 ARG 13 2.149 3.538 10.737 114 HH12 ARG 13 2HH1 ARG 13 3.528 4.456 10.311 115 HH21 ARG 13 1HH2 ARG 13 1.831 7.383 9.412 116 HH22 ARG 13 2HH2 ARG 13 3.355 6.635 9.583 117 H GLN 14 H GLN 14 -4.388 1.184 12.342 118 HA GLN 14 HA GLN 14 -3.416 0.258 14.886 119 HB2 GLN 14 2HB GLN 14 -6.130 0.084 13.580 120 HB3 GLN 14 1HB GLN 14 -5.792 -0.371 15.243 121 HG2 GLN 14 2HG GLN 14 -5.223 1.901 15.799 122 HG3 GLN 14 1HG GLN 14 -5.374 2.387 14.113 123 HE21 GLN 14 1HE2 GLN 14 -7.364 2.637 13.236 124 HE22 GLN 14 2HE2 GLN 14 -8.832 2.690 14.137 125 H PHE 15 H PHE 15 -4.147 -1.106 11.827 126 HA PHE 15 HA PHE 15 -4.417 -3.810 12.736 127 HB2 PHE 15 2HB PHE 15 -5.749 -3.016 10.864 128 HB3 PHE 15 1HB PHE 15 -4.302 -2.608 9.966 129 HD1 PHE 15 1HD PHE 15 -5.790 -5.576 11.664 130 HD2 PHE 15 2HD PHE 15 -3.738 -4.041 8.274 131 HE1 PHE 15 1HE PHE 15 -5.880 -7.788 10.616 132 HE2 PHE 15 2HE PHE 15 -3.821 -6.262 7.216 133 HZ PHE 15 HZ PHE 15 -4.892 -8.135 8.383 134 H LYS 16 H LYS 16 -2.084 -2.136 10.596 135 HA LYS 16 HA LYS 16 0.010 -2.578 9.958 136 HB2 LYS 16 2HB LYS 16 0.093 -4.061 12.581 137 HB3 LYS 16 1HB LYS 16 1.488 -3.996 11.521 138 HG2 LYS 16 2HG LYS 16 1.487 -1.547 11.696 139 HG3 LYS 16 1HG LYS 16 0.086 -1.633 12.764 140 HD2 LYS 16 2HD LYS 16 1.367 -2.860 14.407 141 HD3 LYS 16 1HD LYS 16 2.753 -2.930 13.317 142 HE2 LYS 16 2HE LYS 16 3.000 -0.539 13.412 143 HE3 LYS 16 1HE LYS 16 1.551 -0.376 14.389 144 HZ1 LYS 16 3HZ LYS 16 2.661 -1.622 16.144 145 HZ2 LYS 16 1HZ LYS 16 3.548 -0.244 15.717 146 HZ3 LYS 16 2HZ LYS 16 4.050 -1.762 15.185 147 H GLY 17 H GLY 17 1.444 -4.201 9.028 148 HA2 GLY 17 2HA GLY 17 -0.266 -6.422 8.141 149 HA3 GLY 17 1HA GLY 17 0.845 -5.561 7.084 150 H LYS 18 H LYS 18 0.578 -8.414 7.913 151 HA LYS 18 HA LYS 18 3.176 -8.890 9.123 152 HB2 LYS 18 2HB LYS 18 0.906 -10.733 8.328 153 HB3 LYS 18 1HB LYS 18 2.445 -11.293 8.954 154 HG2 LYS 18 2HG LYS 18 1.104 -11.309 10.855 155 HG3 LYS 18 1HG LYS 18 1.953 -9.765 10.922 156 HD2 LYS 18 2HD LYS 18 -0.344 -9.434 11.564 157 HD3 LYS 18 1HD LYS 18 -0.035 -8.635 10.026 158 HE2 LYS 18 2HE LYS 18 -1.195 -10.313 8.823 159 HE3 LYS 18 1HE LYS 18 -1.219 -11.392 10.217 160 HZ1 LYS 18 3HZ LYS 18 -3.372 -10.335 9.874 161 HZ2 LYS 18 1HZ LYS 18 -2.688 -8.799 10.057 162 HZ3 LYS 18 2HZ LYS 18 -2.697 -9.874 11.330 163 H VAL 19 H VAL 19 2.960 -7.656 6.714 164 HA VAL 19 HA VAL 19 3.483 -9.454 4.498 165 HB VAL 19 HB VAL 19 3.656 -7.316 3.213 166 HG11 VAL 19 1HG1 VAL 19 1.522 -8.473 3.385 167 HG12 VAL 19 2HG1 VAL 19 1.298 -6.726 3.347 168 HG13 VAL 19 3HG1 VAL 19 1.167 -7.601 4.874 169 HG21 VAL 19 3HG2 VAL 19 2.984 -6.051 5.883 170 HG22 VAL 19 1HG2 VAL 19 2.906 -5.232 4.327 171 HG23 VAL 19 2HG2 VAL 19 4.450 -5.824 4.928 172 H ASN 20 H ASN 20 5.358 -9.130 3.181 173 HA ASN 20 HA ASN 20 7.798 -8.460 4.637 174 HB2 ASN 20 2HB ASN 20 7.599 -10.322 2.746 175 HB3 ASN 20 1HB ASN 20 7.570 -8.900 1.696 176 HD21 ASN 20 1HD2 ASN 20 9.494 -11.090 1.947 177 HD22 ASN 20 2HD2 ASN 20 11.015 -10.283 2.108 178 H PHE 21 H PHE 21 8.407 -6.399 4.764 179 HA PHE 21 HA PHE 21 7.176 -4.239 3.543 180 HB2 PHE 21 2HB PHE 21 8.548 -3.955 5.509 181 HB3 PHE 21 1HB PHE 21 9.976 -4.481 4.634 182 HD1 PHE 21 1HD PHE 21 7.462 -1.782 4.841 183 HD2 PHE 21 2HD PHE 21 11.293 -2.963 3.428 184 HE1 PHE 21 1HE PHE 21 7.951 0.546 4.226 185 HE2 PHE 21 2HE PHE 21 11.793 -0.641 2.808 186 HZ PHE 21 HZ PHE 21 10.130 1.113 3.197 187 H ASN 22 H ASN 22 9.818 -6.194 2.415 188 HA ASN 22 HA ASN 22 10.727 -4.394 0.372 189 HB2 ASN 22 2HB ASN 22 11.180 -7.353 0.775 190 HB3 ASN 22 1HB ASN 22 11.920 -6.422 -0.518 191 HD21 ASN 22 1HD2 ASN 22 13.026 -7.887 1.756 192 HD22 ASN 22 2HD2 ASN 22 14.062 -6.771 2.567 193 H LEU 23 H LEU 23 8.461 -6.966 0.614 194 HA LEU 23 HA LEU 23 8.117 -7.200 -2.199 195 HB2 LEU 23 2HB LEU 23 7.867 -9.123 -0.697 196 HB3 LEU 23 1HB LEU 23 6.512 -8.324 0.071 197 HG LEU 23 HG LEU 23 5.127 -8.621 -1.861 198 HD11 LEU 23 1HD1 LEU 23 6.833 -8.229 -3.611 199 HD12 LEU 23 2HD1 LEU 23 5.940 -9.725 -3.885 200 HD13 LEU 23 3HD1 LEU 23 7.568 -9.786 -3.215 201 HD21 LEU 23 3HD2 LEU 23 5.104 -11.013 -2.003 202 HD22 LEU 23 1HD2 LEU 23 5.372 -10.496 -0.342 203 HD23 LEU 23 2HD2 LEU 23 6.724 -11.100 -1.306 204 H VAL 24 H VAL 24 6.291 -5.747 0.499 205 HA VAL 24 HA VAL 24 4.125 -4.795 -1.035 206 HB VAL 24 HB VAL 24 5.382 -3.459 1.382 207 HG11 VAL 24 1HG1 VAL 24 3.184 -2.421 1.726 208 HG12 VAL 24 2HG1 VAL 24 2.604 -3.151 0.230 209 HG13 VAL 24 3HG1 VAL 24 3.889 -1.945 0.182 210 HG21 VAL 24 3HG2 VAL 24 4.758 -5.730 1.860 211 HG22 VAL 24 1HG2 VAL 24 3.145 -5.445 1.197 212 HG23 VAL 24 2HG2 VAL 24 3.667 -4.593 2.652 213 H MET 25 H MET 25 7.244 -3.376 -0.235 214 HA MET 25 HA MET 25 6.878 -0.955 -1.572 215 HB2 MET 25 2HB MET 25 8.677 -1.274 0.037 216 HB3 MET 25 1HB MET 25 9.453 -2.462 -0.983 217 HG2 MET 25 2HG MET 25 9.959 -0.759 -2.624 218 HG3 MET 25 1HG MET 25 9.058 0.440 -1.697 219 HE1 MET 25 3HE MET 25 11.502 -2.382 -0.325 220 HE2 MET 25 1HE MET 25 13.022 -1.492 -0.280 221 HE3 MET 25 2HE MET 25 12.254 -1.847 -1.828 222 H GLN 26 H GLN 26 7.838 -4.097 -2.733 223 HA GLN 26 HA GLN 26 8.446 -3.160 -5.355 224 HB2 GLN 26 2HB GLN 26 9.416 -5.246 -4.534 225 HB3 GLN 26 1HB GLN 26 7.810 -5.939 -4.353 226 HG2 GLN 26 2HG GLN 26 7.486 -5.733 -6.785 227 HG3 GLN 26 1HG GLN 26 9.141 -5.141 -6.927 228 HE21 GLN 26 1HE2 GLN 26 9.735 -6.862 -8.225 229 HE22 GLN 26 2HE2 GLN 26 9.938 -8.455 -7.588 230 H ILE 27 H ILE 27 5.572 -4.509 -3.778 231 HA ILE 27 HA ILE 27 3.936 -4.940 -6.012 232 HB ILE 27 HB ILE 27 3.107 -3.973 -3.254 233 HG12 ILE 27 2HG1 ILE 27 4.269 -6.130 -3.149 234 HG13 ILE 27 1HG1 ILE 27 2.572 -6.320 -2.746 235 HG21 ILE 27 1HG2 ILE 27 1.374 -5.193 -5.388 236 HG22 ILE 27 2HG2 ILE 27 1.325 -3.528 -4.812 237 HG23 ILE 27 3HG2 ILE 27 0.868 -4.846 -3.732 238 HD11 ILE 27 3HD1 ILE 27 3.872 -7.020 -5.368 239 HD12 ILE 27 1HD1 ILE 27 2.160 -7.203 -4.989 240 HD13 ILE 27 2HD1 ILE 27 3.362 -8.145 -4.110 241 H LEU 28 H LEU 28 4.184 -2.070 -3.961 242 HA LEU 28 HA LEU 28 2.477 -0.596 -5.634 243 HB2 LEU 28 2HB LEU 28 3.318 1.324 -4.271 244 HB3 LEU 28 1HB LEU 28 2.306 0.134 -3.449 245 HG LEU 28 HG LEU 28 4.726 -0.742 -2.725 246 HD11 LEU 28 1HD1 LEU 28 6.309 1.053 -2.401 247 HD12 LEU 28 2HD1 LEU 28 5.175 2.172 -3.146 248 HD13 LEU 28 3HD1 LEU 28 5.911 0.895 -4.126 249 HD21 LEU 28 3HD2 LEU 28 2.984 -0.032 -1.194 250 HD22 LEU 28 1HD2 LEU 28 3.373 1.658 -1.513 251 HD23 LEU 28 2HD2 LEU 28 4.547 0.624 -0.703 252 H ASP 29 H ASP 29 5.843 -0.947 -5.471 253 HA ASP 29 HA ASP 29 6.672 1.156 -7.228 254 HB2 ASP 29 2HB ASP 29 8.156 -0.374 -5.768 255 HB3 ASP 29 1HB ASP 29 7.861 -1.566 -6.971 256 H GLU 30 H GLU 30 5.808 -2.180 -7.702 257 HA GLU 30 HA GLU 30 6.394 -2.348 -10.452 258 HB2 GLU 30 2HB GLU 30 6.063 -4.263 -8.769 259 HB3 GLU 30 1HB GLU 30 4.344 -4.064 -9.063 260 HG2 GLU 30 2HG GLU 30 4.646 -4.597 -11.404 261 HG3 GLU 30 1HG GLU 30 6.390 -4.696 -11.177 262 H ILE 31 H ILE 31 3.378 -1.548 -8.739 263 HA ILE 31 HA ILE 31 1.919 -1.340 -11.173 264 HB ILE 31 HB ILE 31 0.142 -0.145 -9.951 265 HG12 ILE 31 2HG1 ILE 31 1.998 -0.177 -7.567 266 HG13 ILE 31 1HG1 ILE 31 1.584 1.247 -8.502 267 HG21 ILE 31 1HG2 ILE 31 0.146 -2.542 -9.775 268 HG22 ILE 31 2HG2 ILE 31 -0.408 -1.826 -8.259 269 HG23 ILE 31 3HG2 ILE 31 1.228 -2.462 -8.380 270 HD11 ILE 31 3HD1 ILE 31 0.338 1.156 -6.424 271 HD12 ILE 31 1HD1 ILE 31 -0.324 -0.415 -6.877 272 HD13 ILE 31 2HD1 ILE 31 -0.750 1.020 -7.810 273 H GLU 32 H GLU 32 3.712 0.920 -9.194 274 HA GLU 32 HA GLU 32 3.087 3.304 -10.451 275 HB2 GLU 32 2HB GLU 32 4.211 3.151 -8.302 276 HB3 GLU 32 1HB GLU 32 5.609 2.414 -9.061 277 HG2 GLU 32 2HG GLU 32 6.020 4.450 -10.286 278 HG3 GLU 32 1HG GLU 32 4.637 5.226 -9.496 279 H LEU 33 H LEU 33 5.916 1.181 -11.020 280 HA LEU 33 HA LEU 33 6.886 2.737 -13.137 281 HB2 LEU 33 2HB LEU 33 8.408 0.862 -13.675 282 HB3 LEU 33 1HB LEU 33 8.452 1.327 -11.999 283 HG LEU 33 HG LEU 33 6.914 -0.713 -11.609 284 HD11 LEU 33 1HD1 LEU 33 7.178 -2.556 -13.186 285 HD12 LEU 33 2HD1 LEU 33 8.027 -1.487 -14.301 286 HD13 LEU 33 3HD1 LEU 33 6.332 -1.191 -13.917 287 HD21 LEU 33 3HD2 LEU 33 9.787 -1.056 -12.431 288 HD22 LEU 33 1HD2 LEU 33 8.848 -2.216 -11.491 289 HD23 LEU 33 2HD2 LEU 33 9.185 -0.615 -10.832 290 H ASP 34 H ASP 34 4.613 0.107 -13.140 291 HA ASP 34 HA ASP 34 4.728 -0.157 -15.989 292 HB2 ASP 34 2HB ASP 34 3.971 -1.958 -14.291 293 HB3 ASP 34 1HB ASP 34 2.415 -1.124 -14.325 294 H LEU 35 H LEU 35 2.626 1.453 -13.687 295 HA LEU 35 HA LEU 35 0.618 2.423 -15.367 296 HB2 LEU 35 2HB LEU 35 0.512 2.433 -12.916 297 HB3 LEU 35 1HB LEU 35 1.768 3.649 -12.864 298 HG LEU 35 HG LEU 35 0.208 5.177 -14.110 299 HD11 LEU 35 1HD1 LEU 35 -1.270 3.545 -15.061 300 HD12 LEU 35 2HD1 LEU 35 -2.168 4.664 -14.036 301 HD13 LEU 35 3HD1 LEU 35 -1.791 3.047 -13.452 302 HD21 LEU 35 3HD2 LEU 35 -1.107 5.740 -12.111 303 HD22 LEU 35 1HD2 LEU 35 0.572 5.386 -11.710 304 HD23 LEU 35 2HD2 LEU 35 -0.679 4.182 -11.401 305 H ARG 36 H ARG 36 3.864 3.484 -14.914 306 HA ARG 36 HA ARG 36 3.855 6.159 -15.708 307 HB2 ARG 36 2HB ARG 36 5.914 4.101 -16.511 308 HB3 ARG 36 1HB ARG 36 6.129 5.836 -16.601 309 HG2 ARG 36 2HG ARG 36 5.759 4.219 -14.097 310 HG3 ARG 36 1HG ARG 36 7.282 4.867 -14.699 311 HD2 ARG 36 2HD ARG 36 6.287 7.154 -14.476 312 HD3 ARG 36 1HD ARG 36 4.886 6.402 -13.704 313 HE ARG 36 HE ARG 36 7.283 5.565 -12.486 314 HH11 ARG 36 1HH1 ARG 36 5.081 8.335 -12.547 315 HH12 ARG 36 2HH1 ARG 36 5.545 8.911 -11.009 316 HH21 ARG 36 1HH2 ARG 36 7.924 6.330 -10.463 317 HH22 ARG 36 2HH2 ARG 36 7.235 7.746 -9.784 318 H GLY 37 H GLY 37 3.266 3.344 -17.611 319 HA2 GLY 37 2HA GLY 37 3.777 4.459 -20.163 320 HA3 GLY 37 1HA GLY 37 2.834 3.012 -19.833 321 H SER 38 H SER 38 0.565 3.280 -19.322 322 HA SER 38 HA SER 38 -0.679 5.830 -19.753 323 HB2 SER 38 2HB SER 38 -0.919 3.785 -21.961 324 HB3 SER 38 1HB SER 38 -1.874 5.257 -21.830 325 HG SER 38 HG SER 38 0.677 5.925 -21.612 326 H ASP 39 H ASP 39 -0.909 2.642 -18.518 327 HA ASP 39 HA ASP 39 -3.741 2.475 -18.968 328 HB2 ASP 39 2HB ASP 39 -3.764 0.303 -17.894 329 HB3 ASP 39 1HB ASP 39 -2.394 0.372 -18.973 330 H ASN 40 H ASN 40 -4.448 1.275 -16.430 331 HA ASN 40 HA ASN 40 -4.971 3.837 -15.061 332 HB2 ASN 40 2HB ASN 40 -6.846 2.485 -16.341 333 HB3 ASN 40 1HB ASN 40 -6.712 1.420 -14.974 334 HD21 ASN 40 1HD2 ASN 40 -8.952 3.060 -15.775 335 HD22 ASN 40 2HD2 ASN 40 -9.338 4.043 -14.418 336 H ILE 41 H ILE 41 -4.839 3.681 -12.768 337 HA ILE 41 HA ILE 41 -2.941 1.852 -11.875 338 HB ILE 41 HB ILE 41 -3.102 3.963 -10.751 339 HG12 ILE 41 2HG1 ILE 41 -3.815 1.693 -8.884 340 HG13 ILE 41 1HG1 ILE 41 -2.207 2.112 -9.451 341 HG21 ILE 41 1HG2 ILE 41 -4.952 4.584 -9.294 342 HG22 ILE 41 2HG2 ILE 41 -5.814 3.123 -9.766 343 HG23 ILE 41 3HG2 ILE 41 -5.483 4.378 -10.965 344 HD11 ILE 41 3HD1 ILE 41 -2.532 2.845 -7.218 345 HD12 ILE 41 1HD1 ILE 41 -3.972 3.754 -7.682 346 HD13 ILE 41 2HD1 ILE 41 -2.392 4.252 -8.291 347 H LYS 42 H LYS 42 -6.470 1.651 -11.584 348 HA LYS 42 HA LYS 42 -6.543 -0.629 -9.956 349 HB2 LYS 42 2HB LYS 42 -8.796 -1.032 -10.875 350 HB3 LYS 42 1HB LYS 42 -8.573 0.649 -10.428 351 HG2 LYS 42 2HG LYS 42 -8.163 1.160 -12.838 352 HG3 LYS 42 1HG LYS 42 -8.543 -0.514 -13.211 353 HD2 LYS 42 2HD LYS 42 -10.777 -0.225 -12.236 354 HD3 LYS 42 1HD LYS 42 -10.395 1.459 -11.869 355 HE2 LYS 42 2HE LYS 42 -9.986 1.798 -14.327 356 HE3 LYS 42 1HE LYS 42 -10.609 0.173 -14.585 357 HZ1 LYS 42 3HZ LYS 42 -12.725 0.881 -13.626 358 HZ2 LYS 42 1HZ LYS 42 -12.300 1.857 -14.924 359 HZ3 LYS 42 2HZ LYS 42 -12.096 2.427 -13.371 360 H THR 43 H THR 43 -5.940 -0.254 -13.363 361 HA THR 43 HA THR 43 -6.178 -2.973 -14.017 362 HB THR 43 HB THR 43 -4.778 -0.747 -15.526 363 HG1 THR 43 1HG THR 43 -7.466 -1.669 -15.484 364 HG21 THR 43 3HG2 THR 43 -4.349 -3.041 -16.377 365 HG22 THR 43 1HG2 THR 43 -5.339 -2.106 -17.499 366 HG23 THR 43 2HG2 THR 43 -6.090 -3.319 -16.462 367 H SER 44 H SER 44 -3.511 -0.688 -13.328 368 HA SER 44 HA SER 44 -1.338 -2.337 -13.615 369 HB2 SER 44 2HB SER 44 -1.695 -0.213 -11.493 370 HB3 SER 44 1HB SER 44 -0.187 -0.757 -12.226 371 HG SER 44 HG SER 44 -1.706 0.063 -14.262 372 H ILE 45 H ILE 45 -3.491 -1.842 -10.852 373 HA ILE 45 HA ILE 45 -2.322 -3.406 -8.876 374 HB ILE 45 HB ILE 45 -5.260 -2.917 -9.461 375 HG12 ILE 45 2HG1 ILE 45 -3.981 -0.904 -8.857 376 HG13 ILE 45 1HG1 ILE 45 -5.187 -1.298 -7.640 377 HG21 ILE 45 1HG2 ILE 45 -5.792 -3.623 -7.185 378 HG22 ILE 45 2HG2 ILE 45 -4.121 -4.148 -6.970 379 HG23 ILE 45 3HG2 ILE 45 -5.148 -4.948 -8.165 380 HD11 ILE 45 3HD1 ILE 45 -3.113 -0.563 -6.628 381 HD12 ILE 45 1HD1 ILE 45 -2.231 -1.851 -7.447 382 HD13 ILE 45 2HD1 ILE 45 -3.436 -2.249 -6.227 383 H ILE 46 H ILE 46 -4.571 -4.365 -11.424 384 HA ILE 46 HA ILE 46 -5.069 -6.998 -10.763 385 HB ILE 46 HB ILE 46 -4.744 -5.863 -13.550 386 HG12 ILE 46 2HG1 ILE 46 -7.233 -6.179 -11.854 387 HG13 ILE 46 1HG1 ILE 46 -6.398 -4.662 -12.173 388 HG21 ILE 46 1HG2 ILE 46 -4.682 -8.296 -13.585 389 HG22 ILE 46 2HG2 ILE 46 -6.201 -7.714 -14.273 390 HG23 ILE 46 3HG2 ILE 46 -6.168 -8.369 -12.637 391 HD11 ILE 46 3HD1 ILE 46 -8.358 -4.885 -13.574 392 HD12 ILE 46 1HD1 ILE 46 -7.741 -6.405 -14.219 393 HD13 ILE 46 2HD1 ILE 46 -6.889 -4.905 -14.555 394 H TYR 47 H TYR 47 -2.459 -5.755 -12.812 395 HA TYR 47 HA TYR 47 -1.382 -8.224 -13.614 396 HB2 TYR 47 2HB TYR 47 0.206 -5.707 -13.155 397 HB3 TYR 47 1HB TYR 47 0.615 -7.032 -14.220 398 HD1 TYR 47 2HD TYR 47 -1.619 -7.477 -15.905 399 HD2 TYR 47 1HD TYR 47 -0.249 -3.831 -14.249 400 HE1 TYR 47 2HE TYR 47 -2.658 -6.252 -17.757 401 HE2 TYR 47 1HE TYR 47 -1.280 -2.585 -16.083 402 HH TYR 47 HH TYR 47 -2.026 -2.879 -18.250 403 H VAL 48 H VAL 48 -0.390 -6.038 -11.066 404 HA VAL 48 HA VAL 48 1.792 -7.574 -10.198 405 HB VAL 48 HB VAL 48 0.320 -5.362 -8.758 406 HG11 VAL 48 1HG1 VAL 48 2.412 -5.022 -7.553 407 HG12 VAL 48 2HG1 VAL 48 3.124 -6.408 -8.379 408 HG13 VAL 48 3HG1 VAL 48 1.777 -6.643 -7.263 409 HG21 VAL 48 3HG2 VAL 48 2.679 -5.285 -10.629 410 HG22 VAL 48 1HG2 VAL 48 2.055 -3.909 -9.722 411 HG23 VAL 48 2HG2 VAL 48 1.062 -4.675 -10.960 412 H TYR 49 H TYR 49 -1.522 -7.253 -8.990 413 HA TYR 49 HA TYR 49 -1.085 -8.886 -6.749 414 HB2 TYR 49 2HB TYR 49 -3.591 -7.915 -8.111 415 HB3 TYR 49 1HB TYR 49 -3.665 -9.038 -6.760 416 HD1 TYR 49 2HD TYR 49 -1.297 -6.177 -7.154 417 HD2 TYR 49 1HD TYR 49 -4.701 -7.700 -5.108 418 HE1 TYR 49 2HE TYR 49 -1.168 -4.310 -5.571 419 HE2 TYR 49 1HE TYR 49 -4.577 -5.832 -3.511 420 HH TYR 49 HH TYR 49 -2.603 -3.102 -4.033 421 H SER 50 H SER 50 -2.212 -9.561 -10.037 422 HA SER 50 HA SER 50 -2.875 -12.270 -9.526 423 HB2 SER 50 2HB SER 50 -3.754 -10.974 -11.467 424 HB3 SER 50 1HB SER 50 -2.136 -10.940 -12.161 425 HG SER 50 HG SER 50 -3.893 -12.691 -12.674 426 H SER 51 H SER 51 0.082 -10.615 -10.219 427 HA SER 51 HA SER 51 1.504 -13.018 -10.856 428 HB2 SER 51 2HB SER 51 2.123 -10.826 -11.846 429 HB3 SER 51 1HB SER 51 2.561 -10.244 -10.245 430 HG SER 51 HG SER 51 4.161 -11.283 -11.854 431 H HIS 52 H HIS 52 1.313 -10.829 -8.072 432 HA HIS 52 HA HIS 52 3.075 -12.631 -6.551 433 HB2 HIS 52 2HB HIS 52 2.214 -9.786 -5.934 434 HB3 HIS 52 1HB HIS 52 3.325 -10.737 -4.968 435 HD1 HIS 52 1HD HIS 52 5.803 -10.850 -5.799 436 HD2 HIS 52 2HD HIS 52 3.270 -8.773 -8.369 437 HE1 HIS 52 1HE HIS 52 7.301 -9.604 -7.381 438 HE2 HIS 52 2HE HIS 52 5.747 -8.194 -8.777 439 H LEU 53 H LEU 53 0.510 -13.514 -7.004 440 HA LEU 53 HA LEU 53 -1.627 -12.965 -5.395 441 HB2 LEU 53 2HB LEU 53 -0.636 -15.630 -6.348 442 HB3 LEU 53 1HB LEU 53 -2.172 -15.416 -5.542 443 HG LEU 53 HG LEU 53 -1.424 -14.076 -8.135 444 HD11 LEU 53 1HD1 LEU 53 -1.513 -16.510 -8.395 445 HD12 LEU 53 2HD1 LEU 53 -2.906 -15.750 -9.170 446 HD13 LEU 53 3HD1 LEU 53 -3.091 -16.542 -7.611 447 HD21 LEU 53 3HD2 LEU 53 -3.150 -12.887 -6.894 448 HD22 LEU 53 1HD2 LEU 53 -4.049 -14.390 -6.678 449 HD23 LEU 53 2HD2 LEU 53 -3.863 -13.709 -8.286 450 H ASP 54 H ASP 54 1.150 -14.917 -4.519 451 HA ASP 54 HA ASP 54 0.171 -16.203 -2.260 452 HB2 ASP 54 2HB ASP 54 2.284 -16.856 -3.174 453 HB3 ASP 54 1HB ASP 54 2.985 -15.284 -2.817 454 H GLU 55 H GLU 55 1.895 -13.096 -2.319 455 HA GLU 55 HA GLU 55 1.615 -12.755 0.506 456 HB2 GLU 55 2HB GLU 55 3.423 -11.707 -0.857 457 HB3 GLU 55 1HB GLU 55 2.218 -10.631 -1.554 458 HG2 GLU 55 2HG GLU 55 3.375 -9.457 0.162 459 HG3 GLU 55 1HG GLU 55 1.742 -9.790 0.733 460 H ILE 56 H ILE 56 -0.128 -11.763 -2.323 461 HA ILE 56 HA ILE 56 -1.812 -9.812 -1.236 462 HB ILE 56 HB ILE 56 -2.497 -11.761 -3.459 463 HG12 ILE 56 2HG1 ILE 56 -0.452 -10.617 -4.107 464 HG13 ILE 56 1HG1 ILE 56 -1.792 -9.950 -5.008 465 HG21 ILE 56 1HG2 ILE 56 -4.470 -10.631 -2.644 466 HG22 ILE 56 2HG2 ILE 56 -4.049 -10.024 -4.249 467 HG23 ILE 56 3HG2 ILE 56 -3.676 -9.066 -2.817 468 HD11 ILE 56 3HD1 ILE 56 -0.509 -8.677 -2.604 469 HD12 ILE 56 1HD1 ILE 56 -1.841 -8.007 -3.549 470 HD13 ILE 56 2HD1 ILE 56 -0.254 -8.221 -4.289 471 H ARG 57 H ARG 57 -2.343 -13.301 -1.656 472 HA ARG 57 HA ARG 57 -4.842 -13.181 -0.260 473 HB2 ARG 57 2HB ARG 57 -4.964 -15.589 -0.552 474 HB3 ARG 57 1HB ARG 57 -4.470 -14.826 -2.051 475 HG2 ARG 57 2HG ARG 57 -2.137 -15.454 -1.583 476 HG3 ARG 57 1HG ARG 57 -2.669 -16.258 -0.108 477 HD2 ARG 57 2HD ARG 57 -3.529 -16.944 -2.912 478 HD3 ARG 57 1HD ARG 57 -2.360 -17.848 -1.953 479 HE ARG 57 HE ARG 57 -4.678 -17.745 -0.456 480 HH11 ARG 57 1HH1 ARG 57 -3.729 -19.049 -3.610 481 HH12 ARG 57 2HH1 ARG 57 -4.860 -20.326 -3.577 482 HH21 ARG 57 1HH2 ARG 57 -6.261 -19.487 -0.439 483 HH22 ARG 57 2HH2 ARG 57 -6.345 -20.557 -1.775 484 H LYS 58 H LYS 58 -1.613 -13.416 0.777 485 HA LYS 58 HA LYS 58 -2.087 -14.938 3.172 486 HB2 LYS 58 2HB LYS 58 0.176 -14.447 1.891 487 HB3 LYS 58 1HB LYS 58 0.171 -12.976 2.829 488 HG2 LYS 58 2HG LYS 58 0.110 -15.737 4.052 489 HG3 LYS 58 1HG LYS 58 1.582 -14.834 3.749 490 HD2 LYS 58 2HD LYS 58 0.688 -13.047 5.287 491 HD3 LYS 58 1HD LYS 58 -0.653 -14.131 5.656 492 HE2 LYS 58 2HE LYS 58 0.849 -15.807 6.509 493 HE3 LYS 58 1HE LYS 58 2.253 -14.876 6.010 494 HZ1 LYS 58 3HZ LYS 58 1.808 -14.723 8.380 495 HZ2 LYS 58 1HZ LYS 58 0.299 -14.040 8.096 496 HZ3 LYS 58 2HZ LYS 58 1.738 -13.228 7.670 497 H ASN 59 H ASN 59 -1.669 -11.556 2.330 498 HA ASN 59 HA ASN 59 -2.894 -10.773 4.889 499 HB2 ASN 59 2HB ASN 59 -0.839 -9.312 3.211 500 HB3 ASN 59 1HB ASN 59 -1.664 -8.607 4.596 501 HD21 ASN 59 1HD2 ASN 59 0.780 -10.865 3.543 502 HD22 ASN 59 2HD2 ASN 59 1.475 -11.145 5.074 503 H LYS 60 H LYS 60 -4.631 -11.436 3.145 504 HA LYS 60 HA LYS 60 -5.210 -9.797 0.987 505 HB2 LYS 60 2HB LYS 60 -7.461 -10.821 0.989 506 HB3 LYS 60 1HB LYS 60 -6.154 -11.987 1.086 507 HG2 LYS 60 2HG LYS 60 -6.560 -12.230 3.485 508 HG3 LYS 60 1HG LYS 60 -7.882 -11.064 3.372 509 HD2 LYS 60 2HD LYS 60 -8.990 -12.554 1.740 510 HD3 LYS 60 1HD LYS 60 -7.701 -13.735 1.987 511 HE2 LYS 60 2HE LYS 60 -8.293 -13.850 4.375 512 HE3 LYS 60 1HE LYS 60 -9.600 -12.702 4.086 513 HZ1 LYS 60 3HZ LYS 60 -10.611 -14.316 2.574 514 HZ2 LYS 60 1HZ LYS 60 -10.429 -14.936 4.128 515 HZ3 LYS 60 2HZ LYS 60 -9.373 -15.420 2.913 516 H GLU 61 H GLU 61 -6.346 -9.471 4.330 517 HA GLU 61 HA GLU 61 -8.230 -7.470 3.851 518 HB2 GLU 61 2HB GLU 61 -6.520 -7.981 6.280 519 HB3 GLU 61 1HB GLU 61 -7.898 -6.894 6.204 520 HG2 GLU 61 2HG GLU 61 -7.973 -9.882 5.808 521 HG3 GLU 61 1HG GLU 61 -8.507 -9.011 7.243 522 H PHE 62 H PHE 62 -4.778 -7.364 4.319 523 HA PHE 62 HA PHE 62 -4.519 -4.547 4.613 524 HB2 PHE 62 2HB PHE 62 -2.781 -6.045 5.449 525 HB3 PHE 62 1HB PHE 62 -2.523 -6.689 3.838 526 HD1 PHE 62 1HD PHE 62 -2.287 -3.547 5.816 527 HD2 PHE 62 2HD PHE 62 -0.868 -5.779 2.481 528 HE1 PHE 62 1HE PHE 62 -0.500 -1.887 5.463 529 HE2 PHE 62 2HE PHE 62 0.919 -4.126 2.124 530 HZ PHE 62 HZ PHE 62 1.101 -2.177 3.611 531 H TYR 63 H TYR 63 -4.050 -6.795 1.922 532 HA TYR 63 HA TYR 63 -3.393 -4.730 0.120 533 HB2 TYR 63 2HB TYR 63 -3.995 -7.630 -0.305 534 HB3 TYR 63 1HB TYR 63 -3.717 -6.538 -1.664 535 HD1 TYR 63 2HD TYR 63 -1.563 -5.327 -1.847 536 HD2 TYR 63 1HD TYR 63 -2.155 -8.395 1.035 537 HE1 TYR 63 2HE TYR 63 0.875 -5.487 -1.528 538 HE2 TYR 63 1HE TYR 63 0.270 -8.553 1.359 539 HH TYR 63 HH TYR 63 2.315 -8.038 0.176 540 H ASP 64 H ASP 64 -6.399 -6.241 0.926 541 HA ASP 64 HA ASP 64 -7.967 -5.231 -1.171 542 HB2 ASP 64 2HB ASP 64 -8.773 -6.913 0.452 543 HB3 ASP 64 1HB ASP 64 -8.737 -5.701 1.721 544 H MET 65 H MET 65 -7.245 -3.870 2.032 545 HA MET 65 HA MET 65 -8.583 -1.445 1.561 546 HB2 MET 65 2HB MET 65 -6.542 -2.203 3.641 547 HB3 MET 65 1HB MET 65 -7.304 -0.618 3.580 548 HG2 MET 65 2HG MET 65 -9.513 -1.771 3.734 549 HG3 MET 65 1HG MET 65 -8.631 -3.266 3.965 550 HE1 MET 65 3HE MET 65 -7.525 -4.054 6.164 551 HE2 MET 65 1HE MET 65 -6.997 -2.961 7.442 552 HE3 MET 65 2HE MET 65 -6.302 -2.833 5.826 553 H ILE 66 H ILE 66 -5.099 -2.279 1.263 554 HA ILE 66 HA ILE 66 -4.534 0.438 0.696 555 HB ILE 66 HB ILE 66 -2.276 -0.158 -0.003 556 HG12 ILE 66 2HG1 ILE 66 -2.942 -2.997 0.628 557 HG13 ILE 66 1HG1 ILE 66 -2.967 -2.407 -1.039 558 HG21 ILE 66 1HG2 ILE 66 -3.155 -1.546 2.517 559 HG22 ILE 66 2HG2 ILE 66 -2.734 0.158 2.346 560 HG23 ILE 66 3HG2 ILE 66 -1.497 -1.081 2.130 561 HD11 ILE 66 3HD1 ILE 66 -0.594 -1.803 -0.796 562 HD12 ILE 66 1HD1 ILE 66 -0.868 -3.527 -0.544 563 HD13 ILE 66 2HD1 ILE 66 -0.604 -2.460 0.840 564 H ALA 67 H ALA 67 -5.203 -2.285 -1.477 565 HA ALA 67 HA ALA 67 -4.541 -1.003 -3.894 566 HB1 ALA 67 1HB ALA 67 -5.177 -3.380 -3.763 567 HB2 ALA 67 2HB ALA 67 -6.146 -2.517 -4.961 568 HB3 ALA 67 3HB ALA 67 -6.833 -2.908 -3.383 569 H GLU 68 H GLU 68 -7.366 -0.864 -1.915 570 HA GLU 68 HA GLU 68 -9.001 0.780 -3.492 571 HB2 GLU 68 2HB GLU 68 -9.894 -0.464 -1.725 572 HB3 GLU 68 1HB GLU 68 -8.769 0.185 -0.549 573 HG2 GLU 68 2HG GLU 68 -10.972 1.070 -0.152 574 HG3 GLU 68 1HG GLU 68 -9.924 2.363 -0.722 575 H ILE 69 H ILE 69 -6.901 1.547 -0.723 576 HA ILE 69 HA ILE 69 -7.179 4.321 -0.834 577 HB ILE 69 HB ILE 69 -4.946 2.658 0.347 578 HG12 ILE 69 2HG1 ILE 69 -7.336 4.005 1.614 579 HG13 ILE 69 1HG1 ILE 69 -7.210 2.288 1.261 580 HG21 ILE 69 1HG2 ILE 69 -5.542 5.595 0.789 581 HG22 ILE 69 2HG2 ILE 69 -4.133 4.941 -0.045 582 HG23 ILE 69 3HG2 ILE 69 -4.353 4.642 1.681 583 HD11 ILE 69 3HD1 ILE 69 -6.797 2.725 3.601 584 HD12 ILE 69 1HD1 ILE 69 -5.492 3.839 3.179 585 HD13 ILE 69 2HD1 ILE 69 -5.347 2.118 2.814 586 H LEU 70 H LEU 70 -4.791 2.258 -2.410 587 HA LEU 70 HA LEU 70 -3.050 4.182 -3.367 588 HB2 LEU 70 2HB LEU 70 -3.915 1.596 -4.664 589 HB3 LEU 70 1HB LEU 70 -2.587 2.581 -5.239 590 HG LEU 70 HG LEU 70 -2.675 1.309 -2.497 591 HD11 LEU 70 1HD1 LEU 70 -1.046 -0.281 -3.373 592 HD12 LEU 70 2HD1 LEU 70 -1.228 0.417 -4.981 593 HD13 LEU 70 3HD1 LEU 70 -2.586 -0.406 -4.218 594 HD21 LEU 70 3HD2 LEU 70 -1.262 3.295 -2.618 595 HD22 LEU 70 1HD2 LEU 70 -0.437 2.632 -4.029 596 HD23 LEU 70 2HD2 LEU 70 -0.285 1.836 -2.462 597 H GLN 71 H GLN 71 -5.989 3.009 -4.973 598 HA GLN 71 HA GLN 71 -5.730 4.754 -7.262 599 HB2 GLN 71 2HB GLN 71 -8.279 3.540 -6.187 600 HB3 GLN 71 1HB GLN 71 -7.931 4.005 -7.843 601 HG2 GLN 71 2HG GLN 71 -6.314 2.185 -8.026 602 HG3 GLN 71 1HG GLN 71 -6.599 1.759 -6.352 603 HE21 GLN 71 1HE2 GLN 71 -7.390 -0.224 -6.667 604 HE22 GLN 71 2HE2 GLN 71 -8.859 -0.579 -7.513 605 H ARG 72 H ARG 72 -7.657 4.703 -4.411 606 HA ARG 72 HA ARG 72 -9.353 6.870 -4.585 607 HB2 ARG 72 2HB ARG 72 -9.428 4.941 -3.132 608 HB3 ARG 72 1HB ARG 72 -7.984 5.470 -2.338 609 HG2 ARG 72 2HG ARG 72 -9.224 7.219 -1.215 610 HG3 ARG 72 1HG ARG 72 -10.689 6.784 -2.135 611 HD2 ARG 72 2HD ARG 72 -10.671 4.557 -1.290 612 HD3 ARG 72 1HD ARG 72 -9.118 4.783 -0.532 613 HE ARG 72 HE ARG 72 -10.339 6.316 1.032 614 HH11 ARG 72 1HH1 ARG 72 -12.130 3.769 -0.727 615 HH12 ARG 72 2HH1 ARG 72 -13.099 3.359 0.596 616 HH21 ARG 72 1HH2 ARG 72 -11.522 5.639 2.839 617 HH22 ARG 72 2HH2 ARG 72 -12.747 4.434 2.738 618 H TYR 73 H TYR 73 -6.039 6.701 -3.318 619 HA TYR 73 HA TYR 73 -6.196 9.536 -2.836 620 HB2 TYR 73 2HB TYR 73 -4.466 7.464 -1.565 621 HB3 TYR 73 1HB TYR 73 -4.004 9.169 -1.514 622 HD1 TYR 73 2HD TYR 73 -6.896 6.939 -0.834 623 HD2 TYR 73 1HD TYR 73 -4.907 10.565 0.075 624 HE1 TYR 73 2HE TYR 73 -8.557 7.407 0.898 625 HE2 TYR 73 1HE TYR 73 -6.563 11.050 1.795 626 HH TYR 73 HH TYR 73 -8.994 8.687 2.655 627 H TYR 74 H TYR 74 -4.873 7.493 -5.166 628 HA TYR 74 HA TYR 74 -2.740 9.178 -5.861 629 HB2 TYR 74 2HB TYR 74 -2.376 7.290 -7.059 630 HB3 TYR 74 1HB TYR 74 -4.042 6.777 -6.882 631 HD1 TYR 74 1HD TYR 74 -1.664 8.628 -9.008 632 HD2 TYR 74 2HD TYR 74 -5.602 7.120 -8.585 633 HE1 TYR 74 1HE TYR 74 -2.074 9.037 -11.394 634 HE2 TYR 74 2HE TYR 74 -6.042 7.503 -10.885 635 HH TYR 74 HH TYR 74 -3.539 8.316 -13.155 636 H LYS 75 H LYS 75 -6.136 9.240 -6.278 637 HA LYS 75 HA LYS 75 -6.188 11.303 -8.252 638 HB2 LYS 75 2HB LYS 75 -8.350 10.236 -6.422 639 HB3 LYS 75 1HB LYS 75 -8.585 11.450 -7.668 640 HG2 LYS 75 2HG LYS 75 -7.608 8.667 -8.220 641 HG3 LYS 75 1HG LYS 75 -9.293 9.177 -8.332 642 HD2 LYS 75 2HD LYS 75 -8.597 10.905 -9.991 643 HD3 LYS 75 1HD LYS 75 -6.967 10.241 -9.936 644 HE2 LYS 75 2HE LYS 75 -8.154 9.354 -11.856 645 HE3 LYS 75 1HE LYS 75 -7.838 8.080 -10.680 646 HZ1 LYS 75 3HZ LYS 75 -10.110 8.205 -9.942 647 HZ2 LYS 75 1HZ LYS 75 -10.075 7.964 -11.601 648 HZ3 LYS 75 2HZ LYS 75 -10.435 9.483 -10.989 649 H LYS 76 H LYS 76 -5.715 11.290 -4.845 650 HA LYS 76 HA LYS 76 -6.535 14.119 -4.632 651 HB2 LYS 76 2HB LYS 76 -5.726 12.150 -2.512 652 HB3 LYS 76 1HB LYS 76 -5.947 13.864 -2.221 653 HG2 LYS 76 2HG LYS 76 -8.315 13.627 -2.882 654 HG3 LYS 76 1HG LYS 76 -8.051 11.896 -3.104 655 HD2 LYS 76 2HD LYS 76 -9.030 12.331 -0.902 656 HD3 LYS 76 1HD LYS 76 -7.398 11.690 -0.740 657 HE2 LYS 76 2HE LYS 76 -6.566 14.035 -0.403 658 HE3 LYS 76 1HE LYS 76 -8.238 14.590 -0.459 659 HZ1 LYS 76 3HZ LYS 76 -7.521 14.338 1.840 660 HZ2 LYS 76 1HZ LYS 76 -7.032 12.764 1.544 661 HZ3 LYS 76 2HZ LYS 76 -8.664 13.190 1.494 662 H ILE 77 H ILE 77 -3.761 12.061 -3.888 663 HA ILE 77 HA ILE 77 -2.127 14.486 -3.819 664 HB ILE 77 HB ILE 77 -0.626 13.277 -2.211 665 HG12 ILE 77 2HG1 ILE 77 -2.961 11.344 -2.084 666 HG13 ILE 77 1HG1 ILE 77 -1.357 10.972 -2.697 667 HG21 ILE 77 1HG2 ILE 77 -2.072 13.682 -0.267 668 HG22 ILE 77 2HG2 ILE 77 -3.473 13.766 -1.335 669 HG23 ILE 77 3HG2 ILE 77 -2.197 14.975 -1.460 670 HD11 ILE 77 3HD1 ILE 77 -0.437 11.321 -0.460 671 HD12 ILE 77 1HD1 ILE 77 -1.688 10.079 -0.464 672 HD13 ILE 77 2HD1 ILE 77 -2.053 11.696 0.138 673 H GLY 78 H GLY 78 -2.409 11.255 -4.999 674 HA2 GLY 78 2HA GLY 78 -1.366 10.942 -7.206 675 HA3 GLY 78 1HA GLY 78 0.061 11.715 -6.521 676 H ILE 79 H ILE 79 -0.211 9.087 -7.726 677 HA ILE 79 HA ILE 79 -0.465 7.076 -5.799 678 HB ILE 79 HB ILE 79 -0.722 6.455 -8.108 679 HG12 ILE 79 2HG1 ILE 79 0.803 4.510 -8.327 680 HG13 ILE 79 1HG1 ILE 79 1.795 5.175 -7.035 681 HG21 ILE 79 1HG2 ILE 79 2.139 7.238 -8.555 682 HG22 ILE 79 2HG2 ILE 79 0.711 8.080 -9.154 683 HG23 ILE 79 3HG2 ILE 79 1.092 6.453 -9.736 684 HD11 ILE 79 3HD1 ILE 79 -1.060 4.300 -6.754 685 HD12 ILE 79 1HD1 ILE 79 -0.008 4.885 -5.465 686 HD13 ILE 79 2HD1 ILE 79 0.363 3.366 -6.292 687 H GLU 80 H GLU 80 2.380 8.795 -6.905 688 HA GLU 80 HA GLU 80 4.253 7.117 -5.661 689 HB2 GLU 80 2HB GLU 80 4.403 9.977 -6.523 690 HB3 GLU 80 1HB GLU 80 5.782 9.040 -5.976 691 HG2 GLU 80 2HG GLU 80 5.453 7.448 -7.773 692 HG3 GLU 80 1HG GLU 80 3.990 8.285 -8.274 693 H ASN 81 H ASN 81 2.582 9.926 -4.629 694 HA ASN 81 HA ASN 81 3.828 10.259 -2.100 695 HB2 ASN 81 2HB ASN 81 0.987 10.948 -2.905 696 HB3 ASN 81 1HB ASN 81 1.716 11.399 -1.374 697 HD21 ASN 81 1HD2 ASN 81 1.478 13.583 -1.741 698 HD22 ASN 81 2HD2 ASN 81 2.385 14.429 -2.918 699 H VAL 82 H VAL 82 0.963 8.460 -3.108 700 HA VAL 82 HA VAL 82 0.282 7.492 -0.545 701 HB VAL 82 HB VAL 82 -0.348 6.116 -3.175 702 HG11 VAL 82 1HG1 VAL 82 -2.345 5.309 -1.942 703 HG12 VAL 82 2HG1 VAL 82 -1.733 6.103 -0.493 704 HG13 VAL 82 3HG1 VAL 82 -0.831 4.770 -1.211 705 HG21 VAL 82 3HG2 VAL 82 -1.017 8.452 -3.292 706 HG22 VAL 82 1HG2 VAL 82 -1.886 8.290 -1.769 707 HG23 VAL 82 2HG2 VAL 82 -2.429 7.400 -3.189 708 H ASN 83 H ASN 83 2.200 6.133 -3.167 709 HA ASN 83 HA ASN 83 2.840 3.638 -2.167 710 HB2 ASN 83 2HB ASN 83 4.426 5.572 -3.824 711 HB3 ASN 83 1HB ASN 83 5.096 4.004 -3.439 712 HD21 ASN 83 1HD2 ASN 83 4.577 4.862 -6.116 713 HD22 ASN 83 2HD2 ASN 83 3.291 3.879 -6.680 714 H GLN 84 H GLN 84 4.482 6.649 -1.556 715 HA GLN 84 HA GLN 84 6.433 5.610 0.217 716 HB2 GLN 84 2HB GLN 84 6.194 7.912 -1.066 717 HB3 GLN 84 1HB GLN 84 5.374 8.389 0.405 718 HG2 GLN 84 2HG GLN 84 8.204 7.369 0.257 719 HG3 GLN 84 1HG GLN 84 7.749 9.067 0.357 720 HE21 GLN 84 1HE2 GLN 84 8.174 6.111 2.025 721 HE22 GLN 84 2HE2 GLN 84 7.928 6.710 3.626 722 H LEU 85 H LEU 85 3.271 7.159 0.690 723 HA LEU 85 HA LEU 85 3.330 7.187 3.489 724 HB2 LEU 85 2HB LEU 85 0.984 7.250 1.615 725 HB3 LEU 85 1HB LEU 85 0.856 7.503 3.345 726 HG LEU 85 HG LEU 85 2.441 9.237 1.450 727 HD11 LEU 85 1HD1 LEU 85 0.039 9.470 1.112 728 HD12 LEU 85 2HD1 LEU 85 0.730 10.912 1.838 729 HD13 LEU 85 3HD1 LEU 85 -0.183 9.783 2.829 730 HD21 LEU 85 3HD2 LEU 85 3.436 9.222 3.666 731 HD22 LEU 85 1HD2 LEU 85 1.858 9.532 4.396 732 HD23 LEU 85 2HD2 LEU 85 2.617 10.755 3.381 733 H ILE 86 H ILE 86 2.082 4.703 1.302 734 HA ILE 86 HA ILE 86 0.980 3.077 3.328 735 HB ILE 86 HB ILE 86 2.126 2.224 0.642 736 HG12 ILE 86 2HG1 ILE 86 0.279 3.787 0.372 737 HG13 ILE 86 1HG1 ILE 86 -0.228 2.178 -0.116 738 HG21 ILE 86 1HG2 ILE 86 0.786 0.172 0.878 739 HG22 ILE 86 2HG2 ILE 86 0.323 0.681 2.502 740 HG23 ILE 86 3HG2 ILE 86 2.009 0.312 2.144 741 HD11 ILE 86 3HD1 ILE 86 -0.919 3.566 2.475 742 HD12 ILE 86 1HD1 ILE 86 -1.381 1.916 2.047 743 HD13 ILE 86 2HD1 ILE 86 -1.989 3.276 1.104 744 H LEU 87 H LEU 87 4.235 3.249 1.970 745 HA LEU 87 HA LEU 87 5.319 1.087 3.426 746 HB2 LEU 87 2HB LEU 87 6.657 3.602 2.425 747 HB3 LEU 87 1HB LEU 87 7.521 2.197 3.009 748 HG LEU 87 HG LEU 87 5.772 2.317 0.558 749 HD11 LEU 87 1HD1 LEU 87 7.897 3.478 0.290 750 HD12 LEU 87 2HD1 LEU 87 7.850 1.986 -0.653 751 HD13 LEU 87 3HD1 LEU 87 8.753 2.040 0.860 752 HD21 LEU 87 3HD2 LEU 87 6.610 0.056 0.133 753 HD22 LEU 87 1HD2 LEU 87 5.635 0.137 1.601 754 HD23 LEU 87 2HD2 LEU 87 7.394 0.067 1.716 755 H THR 88 H THR 88 4.877 4.431 4.084 756 HA THR 88 HA THR 88 6.214 4.647 6.542 757 HB THR 88 HB THR 88 3.901 6.215 5.392 758 HG1 THR 88 1HG THR 88 5.603 6.419 4.033 759 HG21 THR 88 3HG2 THR 88 5.849 6.972 7.580 760 HG22 THR 88 1HG2 THR 88 4.133 6.644 7.805 761 HG23 THR 88 2HG2 THR 88 4.649 8.052 6.873 762 H THR 89 H THR 89 2.977 3.584 5.655 763 HA THR 89 HA THR 89 1.768 3.795 8.184 764 HB THR 89 HB THR 89 1.027 1.800 6.026 765 HG1 THR 89 1HG THR 89 1.271 4.271 5.489 766 HG21 THR 89 3HG2 THR 89 -1.241 2.147 6.891 767 HG22 THR 89 1HG2 THR 89 -0.624 3.278 8.090 768 HG23 THR 89 2HG2 THR 89 -0.173 1.575 8.170 769 H ILE 90 H ILE 90 3.536 1.203 6.579 770 HA ILE 90 HA ILE 90 3.080 -0.504 8.868 771 HB ILE 90 HB ILE 90 4.231 -2.285 7.553 772 HG12 ILE 90 2HG1 ILE 90 4.060 -0.263 5.293 773 HG13 ILE 90 1HG1 ILE 90 5.550 -0.790 6.061 774 HG21 ILE 90 1HG2 ILE 90 1.817 -0.995 6.305 775 HG22 ILE 90 2HG2 ILE 90 1.814 -2.128 7.659 776 HG23 ILE 90 3HG2 ILE 90 2.325 -2.664 6.057 777 HD11 ILE 90 3HD1 ILE 90 5.212 -1.885 3.921 778 HD12 ILE 90 1HD1 ILE 90 3.663 -2.525 4.474 779 HD13 ILE 90 2HD1 ILE 90 5.163 -3.057 5.235 780 H LYS 91 H LYS 91 5.829 1.242 7.424 781 HA LYS 91 HA LYS 91 7.355 0.124 9.649 782 HB2 LYS 91 2HB LYS 91 7.903 -0.925 7.426 783 HB3 LYS 91 1HB LYS 91 8.541 0.631 6.920 784 HG2 LYS 91 2HG LYS 91 10.251 0.550 8.579 785 HG3 LYS 91 1HG LYS 91 9.536 -0.876 9.328 786 HD2 LYS 91 2HD LYS 91 9.988 -2.155 7.282 787 HD3 LYS 91 1HD LYS 91 10.725 -0.722 6.561 788 HE2 LYS 91 2HE LYS 91 12.424 -0.683 8.237 789 HE3 LYS 91 1HE LYS 91 11.664 -2.009 9.119 790 HZ1 LYS 91 3HZ LYS 91 13.557 -2.726 7.786 791 HZ2 LYS 91 1HZ LYS 91 12.816 -2.169 6.392 792 HZ3 LYS 91 2HZ LYS 91 12.154 -3.455 7.239 793 H LEU 92 H LEU 92 5.998 2.547 9.658 794 HA LEU 92 HA LEU 92 8.029 3.985 10.961 795 HB2 LEU 92 2HB LEU 92 8.362 4.878 8.639 796 HB3 LEU 92 1HB LEU 92 6.702 5.440 8.656 797 HG LEU 92 HG LEU 92 7.223 6.972 10.502 798 HD11 LEU 92 1HD1 LEU 92 8.971 5.715 11.592 799 HD12 LEU 92 2HD1 LEU 92 9.559 7.321 11.165 800 HD13 LEU 92 3HD1 LEU 92 10.024 5.923 10.195 801 HD21 LEU 92 3HD2 LEU 92 9.081 7.199 8.142 802 HD22 LEU 92 1HD2 LEU 92 8.714 8.498 9.272 803 HD23 LEU 92 2HD2 LEU 92 7.441 7.849 8.258 804 H GLU 93 H GLU 93 6.686 3.438 12.593 805 HA GLU 93 HA GLU 93 4.104 4.779 12.630 806 HB2 GLU 93 2HB GLU 93 3.716 2.449 12.383 807 HB3 GLU 93 1HB GLU 93 4.925 2.037 13.575 808 HG2 GLU 93 2HG GLU 93 2.468 3.532 14.383 809 HG3 GLU 93 1HG GLU 93 2.396 1.793 14.109 810 H HIS 94 H HIS 94 3.712 6.118 14.227 811 HA HIS 94 HA HIS 94 5.435 6.044 16.617 812 HB2 HIS 94 2HB HIS 94 5.982 7.926 15.056 813 HB3 HIS 94 1HB HIS 94 4.331 8.497 15.216 814 HD1 HIS 94 1HD HIS 94 7.630 8.493 16.899 815 HD2 HIS 94 2HD HIS 94 3.783 9.834 17.679 816 HE1 HIS 94 1HE HIS 94 7.849 10.092 18.817 817 HE2 HIS 94 2HE HIS 94 5.530 10.976 19.201 818 H HIS 95 H HIS 95 2.532 5.332 15.572 819 HA HIS 95 HA HIS 95 1.153 6.003 18.020 820 HB2 HIS 95 2HB HIS 95 0.206 6.928 15.302 821 HB3 HIS 95 1HB HIS 95 -0.916 6.727 16.631 822 HD1 HIS 95 1HD HIS 95 0.947 9.238 14.999 823 HD2 HIS 95 2HD HIS 95 0.137 8.413 18.987 824 HE1 HIS 95 1HE HIS 95 1.342 11.384 16.226 825 HE2 HIS 95 2HE HIS 95 0.474 10.920 18.528 826 H HIS 96 H HIS 96 0.722 3.987 18.635 827 HA HIS 96 HA HIS 96 -0.425 2.219 16.614 828 HB2 HIS 96 2HB HIS 96 0.657 0.262 17.758 829 HB3 HIS 96 1HB HIS 96 1.763 1.356 16.952 830 HD1 HIS 96 1HD HIS 96 0.753 0.135 20.344 831 HD2 HIS 96 2HD HIS 96 3.585 2.626 18.638 832 HE1 HIS 96 1HE HIS 96 2.455 0.547 22.139 833 HE2 HIS 96 2HE HIS 96 4.285 1.778 20.948 834 H HIS 97 H HIS 97 -2.444 2.287 17.019 835 HA HIS 97 HA HIS 97 -4.400 1.513 17.746 836 HB2 HIS 97 2HB HIS 97 -2.832 -0.421 18.636 837 HB3 HIS 97 1HB HIS 97 -3.294 0.232 20.199 838 HD1 HIS 97 1HD HIS 97 -5.575 -0.577 21.139 839 HD2 HIS 97 2HD HIS 97 -5.103 -1.290 17.053 840 HE1 HIS 97 1HE HIS 97 -7.517 -1.958 20.462 841 HE2 HIS 97 2HE HIS 97 -7.358 -2.098 17.951 842 H HIS 98 H HIS 98 -2.392 2.829 20.284 843 HA HIS 98 HA HIS 98 -2.657 4.463 21.802 844 HB2 HIS 98 2HB HIS 98 -3.873 5.789 20.107 845 HB3 HIS 98 1HB HIS 98 -5.364 4.965 20.522 846 HD1 HIS 98 1HD HIS 98 -3.007 7.645 21.784 847 HD2 HIS 98 2HD HIS 98 -6.658 5.933 22.811 848 HE1 HIS 98 1HE HIS 98 -3.960 9.107 23.543 849 HE2 HIS 98 2HE HIS 98 -5.972 7.855 24.363 850 H HIS 99 H HIS 99 -5.685 2.776 21.451 851 HA HIS 99 HA HIS 99 -5.539 1.985 24.255 852 HB2 HIS 99 2HB HIS 99 -7.001 3.995 24.091 853 HB3 HIS 99 1HB HIS 99 -7.980 3.173 22.890 854 HD1 HIS 99 1HD HIS 99 -9.701 1.489 23.745 855 HD2 HIS 99 2HD HIS 99 -7.405 3.170 26.758 856 HE1 HIS 99 1HE HIS 99 -10.864 0.885 25.893 857 HE2 HIS 99 2HE HIS 99 -9.358 1.756 27.697 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -6.054 19.355 2.785 2 H2 MET 1 2HT MET 1 -4.570 18.906 2.081 3 H3 MET 1 3HT MET 1 -4.751 18.875 3.739 4 HA MET 1 HA MET 1 -6.259 17.076 3.658 5 HB2 MET 1 2HB MET 1 -5.754 17.173 0.656 6 HB3 MET 1 1HB MET 1 -6.670 15.939 1.502 7 HG2 MET 1 2HG MET 1 -8.340 17.579 2.141 8 HG3 MET 1 1HG MET 1 -7.414 18.847 1.339 9 HE1 MET 1 2HE MET 1 -10.491 18.378 0.746 10 HE2 MET 1 3HE MET 1 -10.507 18.515 -1.011 11 HE3 MET 1 1HE MET 1 -9.509 19.605 -0.053 12 H SER 2 H SER 2 -5.396 14.764 3.161 13 HA SER 2 HA SER 2 -2.595 14.712 2.512 14 HB2 SER 2 2HB SER 2 -1.918 13.729 4.733 15 HB3 SER 2 1HB SER 2 -2.392 15.424 4.820 16 HG SER 2 HG SER 2 -3.785 14.838 6.243 17 H ILE 3 H ILE 3 -4.281 12.625 4.642 18 HA ILE 3 HA ILE 3 -5.282 10.673 2.952 19 HB ILE 3 HB ILE 3 -2.852 10.358 2.294 20 HG12 ILE 3 2HG1 ILE 3 -3.923 7.927 3.715 21 HG13 ILE 3 1HG1 ILE 3 -4.634 8.529 2.225 22 HG21 ILE 3 1HG2 ILE 3 -1.373 9.153 3.908 23 HG22 ILE 3 2HG2 ILE 3 -2.569 9.465 5.164 24 HG23 ILE 3 3HG2 ILE 3 -1.744 10.811 4.382 25 HD11 ILE 3 3HD1 ILE 3 -3.104 6.689 1.794 26 HD12 ILE 3 1HD1 ILE 3 -1.800 7.564 2.599 27 HD13 ILE 3 2HD1 ILE 3 -2.473 8.181 1.091 28 H LEU 4 H LEU 4 -4.010 11.735 5.979 29 HA LEU 4 HA LEU 4 -4.811 9.610 7.653 30 HB2 LEU 4 2HB LEU 4 -4.505 12.559 8.247 31 HB3 LEU 4 1HB LEU 4 -4.698 11.321 9.465 32 HG LEU 4 HG LEU 4 -2.347 11.541 7.575 33 HD11 LEU 4 1HD1 LEU 4 -2.415 13.385 9.176 34 HD12 LEU 4 2HD1 LEU 4 -1.110 12.264 9.557 35 HD13 LEU 4 3HD1 LEU 4 -2.599 12.233 10.499 36 HD21 LEU 4 3HD2 LEU 4 -1.329 9.872 9.036 37 HD22 LEU 4 1HD2 LEU 4 -2.800 9.251 8.292 38 HD23 LEU 4 2HD2 LEU 4 -2.818 9.776 9.977 39 H GLU 5 H GLU 5 -6.545 11.665 5.850 40 HA GLU 5 HA GLU 5 -8.851 12.274 7.377 41 HB2 GLU 5 2HB GLU 5 -8.466 12.032 4.400 42 HB3 GLU 5 1HB GLU 5 -9.753 12.902 5.217 43 HG2 GLU 5 2HG GLU 5 -8.235 14.542 6.025 44 HG3 GLU 5 1HG GLU 5 -6.844 13.595 5.493 45 H ASP 6 H ASP 6 -7.733 9.552 5.469 46 HA ASP 6 HA ASP 6 -10.404 8.494 5.139 47 HB2 ASP 6 2HB ASP 6 -8.713 8.397 3.291 48 HB3 ASP 6 1HB ASP 6 -7.793 7.250 4.260 49 HA PRO 7 HA PRO 7 -10.162 6.142 8.922 50 HB2 PRO 7 2HB PRO 7 -12.242 4.470 7.651 51 HB3 PRO 7 1HB PRO 7 -12.284 5.341 9.185 52 HG2 PRO 7 2HG PRO 7 -13.657 6.220 7.081 53 HG3 PRO 7 1HG PRO 7 -12.846 7.346 8.184 54 HD2 PRO 7 2HD PRO 7 -12.002 6.423 5.467 55 HD3 PRO 7 1HD PRO 7 -11.926 8.042 6.209 56 H GLU 8 H GLU 8 -9.929 4.612 5.724 57 HA GLU 8 HA GLU 8 -9.390 2.029 6.815 58 HB2 GLU 8 2HB GLU 8 -8.793 3.076 4.043 59 HB3 GLU 8 1HB GLU 8 -8.827 1.385 4.526 60 HG2 GLU 8 2HG GLU 8 -11.169 3.276 4.485 61 HG3 GLU 8 1HG GLU 8 -10.824 2.030 3.291 62 H PHE 9 H PHE 9 -7.555 4.795 5.876 63 HA PHE 9 HA PHE 9 -4.990 3.592 5.859 64 HB2 PHE 9 2HB PHE 9 -5.485 5.794 4.813 65 HB3 PHE 9 1HB PHE 9 -5.711 6.480 6.413 66 HD1 PHE 9 1HD PHE 9 -3.252 5.059 4.086 67 HD2 PHE 9 2HD PHE 9 -3.839 7.116 7.761 68 HE1 PHE 9 1HE PHE 9 -0.854 5.586 4.174 69 HE2 PHE 9 2HE PHE 9 -1.441 7.639 7.854 70 HZ PHE 9 HZ PHE 9 0.055 6.878 6.055 71 H VAL 10 H VAL 10 -6.821 5.279 8.387 72 HA VAL 10 HA VAL 10 -4.749 4.960 10.288 73 HB VAL 10 HB VAL 10 -6.542 6.710 10.557 74 HG11 VAL 10 1HG1 VAL 10 -8.673 6.159 11.592 75 HG12 VAL 10 2HG1 VAL 10 -8.294 4.445 11.442 76 HG13 VAL 10 3HG1 VAL 10 -8.501 5.426 9.996 77 HG21 VAL 10 3HG2 VAL 10 -6.154 4.870 12.911 78 HG22 VAL 10 1HG2 VAL 10 -6.727 6.538 13.004 79 HG23 VAL 10 2HG2 VAL 10 -5.099 6.194 12.415 80 H LYS 11 H LYS 11 -7.469 2.982 9.372 81 HA LYS 11 HA LYS 11 -7.217 1.032 11.375 82 HB2 LYS 11 2HB LYS 11 -8.118 0.746 8.524 83 HB3 LYS 11 1HB LYS 11 -8.209 -0.541 9.717 84 HG2 LYS 11 2HG LYS 11 -9.667 0.892 11.075 85 HG3 LYS 11 1HG LYS 11 -9.613 2.101 9.791 86 HD2 LYS 11 2HD LYS 11 -10.561 0.520 8.223 87 HD3 LYS 11 1HD LYS 11 -10.587 -0.725 9.470 88 HE2 LYS 11 2HE LYS 11 -12.121 1.871 9.511 89 HE3 LYS 11 1HE LYS 11 -12.768 0.266 9.178 90 HZ1 LYS 11 3HZ LYS 11 -11.562 1.121 11.747 91 HZ2 LYS 11 1HZ LYS 11 -12.174 -0.415 11.406 92 HZ3 LYS 11 2HZ LYS 11 -13.202 0.922 11.444 93 H LEU 12 H LEU 12 -5.606 1.359 8.241 94 HA LEU 12 HA LEU 12 -4.206 -1.048 8.309 95 HB2 LEU 12 2HB LEU 12 -3.442 1.580 7.073 96 HB3 LEU 12 1HB LEU 12 -2.546 0.090 6.838 97 HG LEU 12 HG LEU 12 -5.406 0.543 6.013 98 HD11 LEU 12 1HD1 LEU 12 -3.857 1.887 4.722 99 HD12 LEU 12 2HD1 LEU 12 -4.471 0.542 3.753 100 HD13 LEU 12 3HD1 LEU 12 -2.847 0.470 4.437 101 HD21 LEU 12 3HD2 LEU 12 -3.500 -1.743 5.505 102 HD22 LEU 12 1HD2 LEU 12 -5.097 -1.558 4.783 103 HD23 LEU 12 2HD2 LEU 12 -4.947 -1.800 6.517 104 H ARG 13 H ARG 13 -3.463 2.015 9.789 105 HA ARG 13 HA ARG 13 -0.863 1.400 10.720 106 HB2 ARG 13 2HB ARG 13 -2.971 3.277 11.799 107 HB3 ARG 13 1HB ARG 13 -1.357 3.155 12.482 108 HG2 ARG 13 2HG ARG 13 -1.886 3.844 9.602 109 HG3 ARG 13 1HG ARG 13 -1.710 5.047 10.877 110 HD2 ARG 13 2HD ARG 13 0.374 2.973 10.164 111 HD3 ARG 13 1HD ARG 13 0.386 4.650 9.627 112 HE ARG 13 HE ARG 13 0.216 4.918 12.273 113 HH11 ARG 13 1HH1 ARG 13 2.393 2.775 10.430 114 HH12 ARG 13 2HH1 ARG 13 3.759 3.098 11.348 115 HH21 ARG 13 1HH2 ARG 13 2.105 5.298 13.646 116 HH22 ARG 13 2HH2 ARG 13 3.588 4.569 13.280 117 H GLN 14 H GLN 14 -4.023 0.655 11.909 118 HA GLN 14 HA GLN 14 -3.123 -0.428 14.419 119 HB2 GLN 14 2HB GLN 14 -5.791 -0.545 13.006 120 HB3 GLN 14 1HB GLN 14 -5.503 -1.149 14.634 121 HG2 GLN 14 2HG GLN 14 -4.972 1.056 15.420 122 HG3 GLN 14 1HG GLN 14 -5.052 1.699 13.783 123 HE21 GLN 14 1HE2 GLN 14 -7.008 2.128 12.893 124 HE22 GLN 14 2HE2 GLN 14 -8.496 2.078 13.776 125 H PHE 15 H PHE 15 -4.091 -1.690 11.255 126 HA PHE 15 HA PHE 15 -3.831 -4.447 11.818 127 HB2 PHE 15 2HB PHE 15 -3.605 -2.805 9.309 128 HB3 PHE 15 1HB PHE 15 -3.203 -4.507 9.283 129 HD1 PHE 15 2HD PHE 15 -5.983 -2.190 10.215 130 HD2 PHE 15 1HD PHE 15 -4.875 -6.051 8.837 131 HE1 PHE 15 2HE PHE 15 -8.352 -2.731 9.828 132 HE2 PHE 15 1HE PHE 15 -7.234 -6.592 8.446 133 HZ PHE 15 HZ PHE 15 -8.976 -4.933 8.944 134 H LYS 16 H LYS 16 -1.541 -1.987 10.900 135 HA LYS 16 HA LYS 16 0.624 -1.713 11.241 136 HB2 LYS 16 2HB LYS 16 0.349 -2.761 13.449 137 HB3 LYS 16 1HB LYS 16 0.578 -4.345 12.731 138 HG2 LYS 16 2HG LYS 16 2.876 -3.859 12.236 139 HG3 LYS 16 1HG LYS 16 2.673 -2.175 12.718 140 HD2 LYS 16 2HD LYS 16 3.796 -3.434 14.477 141 HD3 LYS 16 1HD LYS 16 2.213 -2.897 15.019 142 HE2 LYS 16 2HE LYS 16 1.312 -5.141 14.548 143 HE3 LYS 16 1HE LYS 16 2.917 -5.662 14.032 144 HZ1 LYS 16 3HZ LYS 16 2.395 -6.293 16.310 145 HZ2 LYS 16 1HZ LYS 16 2.227 -4.679 16.748 146 HZ3 LYS 16 2HZ LYS 16 3.730 -5.270 16.263 147 H GLY 17 H GLY 17 -0.290 -4.823 9.996 148 HA2 GLY 17 2HA GLY 17 0.474 -4.765 7.559 149 HA3 GLY 17 1HA GLY 17 2.076 -4.706 8.275 150 H LYS 18 H LYS 18 2.671 -6.526 9.687 151 HA LYS 18 HA LYS 18 3.304 -8.676 9.750 152 HB2 LYS 18 2HB LYS 18 0.381 -9.201 9.243 153 HB3 LYS 18 1HB LYS 18 1.508 -10.447 9.778 154 HG2 LYS 18 2HG LYS 18 0.633 -9.932 11.818 155 HG3 LYS 18 1HG LYS 18 1.810 -8.623 11.755 156 HD2 LYS 18 2HD LYS 18 -0.296 -7.629 12.389 157 HD3 LYS 18 1HD LYS 18 0.003 -7.202 10.711 158 HE2 LYS 18 2HE LYS 18 -1.470 -9.008 9.963 159 HE3 LYS 18 1HE LYS 18 -1.734 -9.478 11.634 160 HZ1 LYS 18 3HZ LYS 18 -3.562 -8.144 10.804 161 HZ2 LYS 18 1HZ LYS 18 -2.509 -6.900 10.403 162 HZ3 LYS 18 2HZ LYS 18 -2.775 -7.301 12.017 163 H VAL 19 H VAL 19 3.512 -7.296 7.442 164 HA VAL 19 HA VAL 19 3.149 -9.240 5.257 165 HB VAL 19 HB VAL 19 3.197 -7.253 3.730 166 HG11 VAL 19 1HG1 VAL 19 1.046 -8.191 4.361 167 HG12 VAL 19 2HG1 VAL 19 0.939 -6.441 4.176 168 HG13 VAL 19 3HG1 VAL 19 1.003 -7.159 5.788 169 HG21 VAL 19 3HG2 VAL 19 2.787 -5.006 4.707 170 HG22 VAL 19 1HG2 VAL 19 4.372 -5.673 5.113 171 HG23 VAL 19 2HG2 VAL 19 3.073 -5.692 6.305 172 H ASN 20 H ASN 20 4.846 -8.909 3.550 173 HA ASN 20 HA ASN 20 7.462 -8.483 4.756 174 HB2 ASN 20 2HB ASN 20 6.927 -10.283 2.914 175 HB3 ASN 20 1HB ASN 20 6.857 -8.842 1.876 176 HD21 ASN 20 1HD2 ASN 20 8.678 -11.182 1.883 177 HD22 ASN 20 2HD2 ASN 20 10.245 -10.476 1.891 178 H PHE 21 H PHE 21 8.056 -6.426 4.944 179 HA PHE 21 HA PHE 21 6.947 -4.184 3.773 180 HB2 PHE 21 2HB PHE 21 8.387 -3.964 5.689 181 HB3 PHE 21 1HB PHE 21 9.746 -4.647 4.812 182 HD1 PHE 21 1HD PHE 21 7.559 -1.692 5.058 183 HD2 PHE 21 2HD PHE 21 11.134 -3.313 3.436 184 HE1 PHE 21 1HE PHE 21 8.237 0.550 4.312 185 HE2 PHE 21 2HE PHE 21 11.820 -1.081 2.691 186 HZ PHE 21 HZ PHE 21 10.364 0.851 3.117 187 H ASN 22 H ASN 22 9.383 -6.323 2.573 188 HA ASN 22 HA ASN 22 10.418 -4.438 0.648 189 HB2 ASN 22 2HB ASN 22 10.916 -7.417 0.860 190 HB3 ASN 22 1HB ASN 22 11.780 -6.295 -0.185 191 HD21 ASN 22 1HD2 ASN 22 11.418 -7.525 3.008 192 HD22 ASN 22 2HD2 ASN 22 12.746 -6.674 3.690 193 H LEU 23 H LEU 23 8.197 -7.052 0.761 194 HA LEU 23 HA LEU 23 7.939 -7.153 -2.064 195 HB2 LEU 23 2HB LEU 23 7.600 -9.148 -0.634 196 HB3 LEU 23 1HB LEU 23 6.168 -8.382 0.026 197 HG LEU 23 HG LEU 23 5.012 -8.538 -2.079 198 HD11 LEU 23 1HD1 LEU 23 7.603 -9.659 -3.157 199 HD12 LEU 23 2HD1 LEU 23 6.887 -8.102 -3.586 200 HD13 LEU 23 3HD1 LEU 23 6.071 -9.598 -4.023 201 HD21 LEU 23 3HD2 LEU 23 5.070 -10.502 -0.621 202 HD22 LEU 23 1HD2 LEU 23 6.472 -11.096 -1.507 203 HD23 LEU 23 2HD2 LEU 23 4.914 -10.932 -2.327 204 H VAL 24 H VAL 24 6.113 -5.718 0.624 205 HA VAL 24 HA VAL 24 3.956 -4.747 -0.926 206 HB VAL 24 HB VAL 24 5.171 -3.456 1.547 207 HG11 VAL 24 1HG1 VAL 24 3.715 -1.914 0.340 208 HG12 VAL 24 2HG1 VAL 24 2.965 -2.410 1.856 209 HG13 VAL 24 3HG1 VAL 24 2.425 -3.115 0.332 210 HG21 VAL 24 3HG2 VAL 24 4.503 -5.744 1.979 211 HG22 VAL 24 1HG2 VAL 24 2.907 -5.425 1.300 212 HG23 VAL 24 2HG2 VAL 24 3.411 -4.614 2.782 213 H MET 25 H MET 25 7.101 -3.412 -0.116 214 HA MET 25 HA MET 25 6.867 -0.952 -1.411 215 HB2 MET 25 2HB MET 25 8.709 -1.468 0.103 216 HB3 MET 25 1HB MET 25 9.312 -2.692 -0.991 217 HG2 MET 25 2HG MET 25 9.755 -0.943 -2.660 218 HG3 MET 25 1HG MET 25 9.195 0.272 -1.512 219 HE1 MET 25 3HE MET 25 11.354 -2.981 -0.770 220 HE2 MET 25 1HE MET 25 12.979 -2.326 -0.937 221 HE3 MET 25 2HE MET 25 11.917 -2.419 -2.342 222 H GLN 26 H GLN 26 7.901 -4.100 -2.612 223 HA GLN 26 HA GLN 26 8.382 -3.217 -5.252 224 HB2 GLN 26 2HB GLN 26 9.341 -5.321 -4.453 225 HB3 GLN 26 1HB GLN 26 7.732 -6.002 -4.261 226 HG2 GLN 26 2HG GLN 26 7.372 -5.846 -6.680 227 HG3 GLN 26 1HG GLN 26 8.982 -5.162 -6.873 228 HE21 GLN 26 1HE2 GLN 26 9.572 -6.853 -8.238 229 HE22 GLN 26 2HE2 GLN 26 9.907 -8.431 -7.625 230 H ILE 27 H ILE 27 5.493 -4.513 -3.671 231 HA ILE 27 HA ILE 27 3.803 -4.756 -5.895 232 HB ILE 27 HB ILE 27 3.051 -3.791 -3.112 233 HG12 ILE 27 2HG1 ILE 27 4.090 -6.024 -3.071 234 HG13 ILE 27 1HG1 ILE 27 2.402 -6.108 -2.611 235 HG21 ILE 27 1HG2 ILE 27 1.304 -3.215 -4.673 236 HG22 ILE 27 2HG2 ILE 27 0.757 -4.512 -3.611 237 HG23 ILE 27 3HG2 ILE 27 1.244 -4.875 -5.264 238 HD11 ILE 27 3HD1 ILE 27 3.005 -7.965 -4.009 239 HD12 ILE 27 1HD1 ILE 27 3.583 -6.875 -5.271 240 HD13 ILE 27 2HD1 ILE 27 1.865 -6.926 -4.862 241 H LEU 28 H LEU 28 4.305 -1.997 -3.753 242 HA LEU 28 HA LEU 28 2.706 -0.124 -5.094 243 HB2 LEU 28 2HB LEU 28 5.153 0.275 -3.390 244 HB3 LEU 28 1HB LEU 28 4.050 1.548 -3.865 245 HG LEU 28 HG LEU 28 3.281 -0.827 -2.165 246 HD11 LEU 28 1HD1 LEU 28 4.899 0.601 -1.038 247 HD12 LEU 28 2HD1 LEU 28 3.305 0.740 -0.305 248 HD13 LEU 28 3HD1 LEU 28 3.903 2.018 -1.367 249 HD21 LEU 28 3HD2 LEU 28 1.852 1.752 -2.781 250 HD22 LEU 28 1HD2 LEU 28 1.288 0.496 -1.683 251 HD23 LEU 28 2HD2 LEU 28 1.417 0.159 -3.411 252 H ASP 29 H ASP 29 6.100 -0.940 -5.392 253 HA ASP 29 HA ASP 29 6.876 1.128 -7.165 254 HB2 ASP 29 2HB ASP 29 8.320 -0.455 -5.746 255 HB3 ASP 29 1HB ASP 29 8.067 -1.619 -7.022 256 H GLU 30 H GLU 30 5.941 -2.218 -7.645 257 HA GLU 30 HA GLU 30 6.340 -2.340 -10.415 258 HB2 GLU 30 2HB GLU 30 6.104 -4.236 -8.667 259 HB3 GLU 30 1HB GLU 30 4.377 -4.060 -8.922 260 HG2 GLU 30 2HG GLU 30 4.610 -4.647 -11.239 261 HG3 GLU 30 1HG GLU 30 6.364 -4.691 -11.083 262 H ILE 31 H ILE 31 3.386 -1.633 -8.502 263 HA ILE 31 HA ILE 31 1.791 -1.327 -10.842 264 HB ILE 31 HB ILE 31 0.101 -0.171 -9.454 265 HG12 ILE 31 2HG1 ILE 31 2.069 -0.433 -7.174 266 HG13 ILE 31 1HG1 ILE 31 1.653 1.071 -7.979 267 HG21 ILE 31 1HG2 ILE 31 1.209 -2.637 -8.152 268 HG22 ILE 31 2HG2 ILE 31 0.033 -2.573 -9.471 269 HG23 ILE 31 3HG2 ILE 31 -0.395 -1.974 -7.868 270 HD11 ILE 31 3HD1 ILE 31 0.502 0.850 -5.860 271 HD12 ILE 31 1HD1 ILE 31 -0.206 -0.675 -6.392 272 HD13 ILE 31 2HD1 ILE 31 -0.650 0.830 -7.199 273 H GLU 32 H GLU 32 3.706 0.885 -8.890 274 HA GLU 32 HA GLU 32 2.919 3.325 -9.949 275 HB2 GLU 32 2HB GLU 32 4.245 3.099 -7.933 276 HB3 GLU 32 1HB GLU 32 5.570 2.408 -8.844 277 HG2 GLU 32 2HG GLU 32 5.912 4.523 -9.968 278 HG3 GLU 32 1HG GLU 32 4.555 5.227 -9.082 279 H LEU 33 H LEU 33 5.597 1.223 -10.915 280 HA LEU 33 HA LEU 33 6.468 2.904 -12.972 281 HB2 LEU 33 2HB LEU 33 7.881 1.050 -13.760 282 HB3 LEU 33 1HB LEU 33 8.006 1.299 -12.043 283 HG LEU 33 HG LEU 33 6.380 -0.707 -11.842 284 HD11 LEU 33 1HD1 LEU 33 7.362 -1.173 -14.649 285 HD12 LEU 33 2HD1 LEU 33 5.696 -0.869 -14.158 286 HD13 LEU 33 3HD1 LEU 33 6.512 -2.346 -13.642 287 HD21 LEU 33 3HD2 LEU 33 8.251 -2.293 -11.965 288 HD22 LEU 33 1HD2 LEU 33 8.690 -0.794 -11.146 289 HD23 LEU 33 2HD2 LEU 33 9.207 -1.074 -12.808 290 H ASP 34 H ASP 34 4.054 0.369 -13.026 291 HA ASP 34 HA ASP 34 3.748 0.540 -15.882 292 HB2 ASP 34 2HB ASP 34 3.061 -1.531 -14.780 293 HB3 ASP 34 1HB ASP 34 1.872 -0.651 -13.821 294 H LEU 35 H LEU 35 1.931 1.717 -13.104 295 HA LEU 35 HA LEU 35 -0.242 2.898 -14.257 296 HB2 LEU 35 2HB LEU 35 -0.075 2.655 -11.899 297 HB3 LEU 35 1HB LEU 35 1.325 3.696 -11.829 298 HG LEU 35 HG LEU 35 -0.061 5.629 -12.404 299 HD11 LEU 35 1HD1 LEU 35 -2.327 3.661 -12.373 300 HD12 LEU 35 2HD1 LEU 35 -1.748 4.595 -13.754 301 HD13 LEU 35 3HD1 LEU 35 -2.507 5.414 -12.388 302 HD21 LEU 35 3HD2 LEU 35 -1.119 4.000 -10.112 303 HD22 LEU 35 1HD2 LEU 35 -1.338 5.737 -10.325 304 HD23 LEU 35 2HD2 LEU 35 0.279 5.075 -10.080 305 H ARG 36 H ARG 36 2.953 4.225 -13.902 306 HA ARG 36 HA ARG 36 2.588 6.898 -14.323 307 HB2 ARG 36 2HB ARG 36 4.746 5.583 -13.878 308 HB3 ARG 36 1HB ARG 36 4.854 5.398 -15.619 309 HG2 ARG 36 2HG ARG 36 6.216 7.242 -15.031 310 HG3 ARG 36 1HG ARG 36 4.761 7.901 -15.790 311 HD2 ARG 36 2HD ARG 36 3.797 8.250 -13.520 312 HD3 ARG 36 1HD ARG 36 5.321 7.701 -12.836 313 HE ARG 36 HE ARG 36 5.495 9.906 -14.669 314 HH11 ARG 36 1HH1 ARG 36 5.390 8.857 -11.294 315 HH12 ARG 36 2HH1 ARG 36 5.684 10.395 -10.627 316 HH21 ARG 36 1HH2 ARG 36 5.935 12.034 -13.775 317 HH22 ARG 36 2HH2 ARG 36 6.039 12.248 -12.090 318 H GLY 37 H GLY 37 2.669 4.352 -16.774 319 HA2 GLY 37 2HA GLY 37 1.646 6.327 -18.707 320 HA3 GLY 37 1HA GLY 37 2.812 5.091 -19.169 321 H SER 38 H SER 38 0.269 4.492 -16.926 322 HA SER 38 HA SER 38 -1.055 2.783 -18.945 323 HB2 SER 38 2HB SER 38 0.278 1.660 -17.038 324 HB3 SER 38 1HB SER 38 -0.995 2.248 -15.984 325 HG SER 38 HG SER 38 -1.114 0.109 -16.736 326 H ASP 39 H ASP 39 -1.322 5.003 -16.263 327 HA ASP 39 HA ASP 39 -2.836 6.408 -15.513 328 HB2 ASP 39 2HB ASP 39 -3.318 7.020 -17.839 329 HB3 ASP 39 1HB ASP 39 -4.524 5.739 -17.926 330 H ASN 40 H ASN 40 -4.523 3.533 -16.638 331 HA ASN 40 HA ASN 40 -6.236 3.714 -14.322 332 HB2 ASN 40 2HB ASN 40 -6.236 1.792 -16.640 333 HB3 ASN 40 1HB ASN 40 -7.127 1.423 -15.171 334 HD21 ASN 40 1HD2 ASN 40 -6.981 3.400 -18.017 335 HD22 ASN 40 2HD2 ASN 40 -8.538 4.105 -17.808 336 H ILE 41 H ILE 41 -5.057 3.502 -12.641 337 HA ILE 41 HA ILE 41 -3.011 1.655 -12.122 338 HB ILE 41 HB ILE 41 -3.484 3.684 -10.714 339 HG12 ILE 41 2HG1 ILE 41 -3.441 1.078 -9.160 340 HG13 ILE 41 1HG1 ILE 41 -2.029 1.896 -9.815 341 HG21 ILE 41 1HG2 ILE 41 -5.864 3.569 -10.608 342 HG22 ILE 41 2HG2 ILE 41 -5.213 3.503 -8.963 343 HG23 ILE 41 3HG2 ILE 41 -5.780 2.028 -9.762 344 HD11 ILE 41 3HD1 ILE 41 -3.854 2.957 -7.668 345 HD12 ILE 41 1HD1 ILE 41 -2.445 3.793 -8.323 346 HD13 ILE 41 2HD1 ILE 41 -2.240 2.286 -7.428 347 H LYS 42 H LYS 42 -6.394 1.319 -12.115 348 HA LYS 42 HA LYS 42 -6.896 -0.864 -10.452 349 HB2 LYS 42 2HB LYS 42 -8.158 -0.430 -13.136 350 HB3 LYS 42 1HB LYS 42 -8.881 -1.201 -11.732 351 HG2 LYS 42 2HG LYS 42 -8.763 1.000 -10.594 352 HG3 LYS 42 1HG LYS 42 -8.262 1.714 -12.119 353 HD2 LYS 42 2HD LYS 42 -10.851 0.232 -11.646 354 HD3 LYS 42 1HD LYS 42 -10.686 1.979 -11.807 355 HE2 LYS 42 2HE LYS 42 -9.881 1.682 -14.105 356 HE3 LYS 42 1HE LYS 42 -10.017 -0.065 -13.934 357 HZ1 LYS 42 3HZ LYS 42 -11.871 0.892 -15.114 358 HZ2 LYS 42 1HZ LYS 42 -12.264 1.859 -13.800 359 HZ3 LYS 42 2HZ LYS 42 -12.408 0.178 -13.680 360 H THR 43 H THR 43 -6.030 -0.724 -13.827 361 HA THR 43 HA THR 43 -5.978 -3.522 -14.214 362 HB THR 43 HB THR 43 -4.627 -1.401 -15.894 363 HG1 THR 43 1HG THR 43 -7.331 -1.978 -15.381 364 HG21 THR 43 3HG2 THR 43 -5.961 -4.035 -16.577 365 HG22 THR 43 1HG2 THR 43 -4.220 -3.766 -16.521 366 HG23 THR 43 2HG2 THR 43 -5.204 -2.938 -17.729 367 H SER 44 H SER 44 -3.546 -1.027 -13.470 368 HA SER 44 HA SER 44 -1.260 -2.577 -13.641 369 HB2 SER 44 2HB SER 44 -1.797 -0.310 -11.705 370 HB3 SER 44 1HB SER 44 -0.227 -0.840 -12.321 371 HG SER 44 HG SER 44 -0.854 -0.204 -14.385 372 H ILE 45 H ILE 45 -3.578 -2.074 -10.981 373 HA ILE 45 HA ILE 45 -2.333 -3.472 -8.920 374 HB ILE 45 HB ILE 45 -5.279 -3.195 -9.594 375 HG12 ILE 45 2HG1 ILE 45 -4.194 -1.067 -9.063 376 HG13 ILE 45 1HG1 ILE 45 -5.371 -1.496 -7.833 377 HG21 ILE 45 1HG2 ILE 45 -4.134 -4.263 -7.026 378 HG22 ILE 45 2HG2 ILE 45 -5.085 -5.148 -8.219 379 HG23 ILE 45 3HG2 ILE 45 -5.827 -3.843 -7.292 380 HD11 ILE 45 3HD1 ILE 45 -3.384 -0.546 -6.835 381 HD12 ILE 45 1HD1 ILE 45 -2.381 -1.770 -7.611 382 HD13 ILE 45 2HD1 ILE 45 -3.546 -2.240 -6.372 383 H ILE 46 H ILE 46 -4.530 -4.581 -11.437 384 HA ILE 46 HA ILE 46 -4.864 -7.211 -10.687 385 HB ILE 46 HB ILE 46 -4.832 -6.097 -13.505 386 HG12 ILE 46 2HG1 ILE 46 -7.116 -6.592 -11.576 387 HG13 ILE 46 1HG1 ILE 46 -6.455 -5.020 -12.000 388 HG21 ILE 46 1HG2 ILE 46 -5.982 -8.700 -12.484 389 HG22 ILE 46 2HG2 ILE 46 -4.583 -8.529 -13.548 390 HG23 ILE 46 3HG2 ILE 46 -6.184 -8.060 -14.115 391 HD11 ILE 46 3HD1 ILE 46 -7.851 -6.915 -13.877 392 HD12 ILE 46 1HD1 ILE 46 -7.196 -5.337 -14.310 393 HD13 ILE 46 2HD1 ILE 46 -8.536 -5.448 -13.170 394 H TYR 47 H TYR 47 -2.302 -5.916 -12.838 395 HA TYR 47 HA TYR 47 -1.198 -8.413 -13.554 396 HB2 TYR 47 2HB TYR 47 0.448 -5.916 -13.161 397 HB3 TYR 47 1HB TYR 47 0.805 -7.271 -14.204 398 HD1 TYR 47 1HD TYR 47 -1.346 -7.652 -15.967 399 HD2 TYR 47 2HD TYR 47 0.007 -4.031 -14.221 400 HE1 TYR 47 1HE TYR 47 -2.271 -6.387 -17.869 401 HE2 TYR 47 2HE TYR 47 -0.915 -2.759 -16.081 402 HH TYR 47 HH TYR 47 -1.457 -3.149 -18.397 403 H VAL 48 H VAL 48 -0.252 -6.109 -11.095 404 HA VAL 48 HA VAL 48 1.943 -7.526 -10.096 405 HB VAL 48 HB VAL 48 0.289 -5.369 -8.780 406 HG11 VAL 48 1HG1 VAL 48 3.118 -6.259 -8.218 407 HG12 VAL 48 2HG1 VAL 48 1.725 -6.524 -7.172 408 HG13 VAL 48 3HG1 VAL 48 2.299 -4.883 -7.481 409 HG21 VAL 48 3HG2 VAL 48 1.097 -4.681 -10.951 410 HG22 VAL 48 1HG2 VAL 48 2.724 -5.220 -10.538 411 HG23 VAL 48 2HG2 VAL 48 2.013 -3.854 -9.688 412 H TYR 49 H TYR 49 -1.398 -7.267 -8.914 413 HA TYR 49 HA TYR 49 -0.958 -8.846 -6.647 414 HB2 TYR 49 2HB TYR 49 -3.461 -7.996 -8.091 415 HB3 TYR 49 1HB TYR 49 -3.522 -9.075 -6.704 416 HD1 TYR 49 2HD TYR 49 -1.210 -6.177 -7.110 417 HD2 TYR 49 1HD TYR 49 -4.672 -7.693 -5.158 418 HE1 TYR 49 2HE TYR 49 -1.188 -4.249 -5.597 419 HE2 TYR 49 1HE TYR 49 -4.655 -5.766 -3.629 420 HH TYR 49 HH TYR 49 -2.720 -3.019 -4.183 421 H SER 50 H SER 50 -1.951 -9.636 -9.940 422 HA SER 50 HA SER 50 -2.622 -12.322 -9.329 423 HB2 SER 50 2HB SER 50 -3.478 -11.044 -11.310 424 HB3 SER 50 1HB SER 50 -1.869 -11.133 -12.014 425 HG SER 50 HG SER 50 -3.737 -12.791 -12.375 426 H SER 51 H SER 51 0.360 -10.701 -10.090 427 HA SER 51 HA SER 51 1.797 -13.137 -10.623 428 HB2 SER 51 2HB SER 51 2.450 -10.982 -11.665 429 HB3 SER 51 1HB SER 51 2.828 -10.333 -10.075 430 HG SER 51 HG SER 51 4.649 -11.074 -11.233 431 H HIS 52 H HIS 52 1.458 -10.881 -7.928 432 HA HIS 52 HA HIS 52 3.207 -12.569 -6.275 433 HB2 HIS 52 2HB HIS 52 2.201 -9.751 -5.771 434 HB3 HIS 52 1HB HIS 52 3.313 -10.631 -4.740 435 HD1 HIS 52 1HD HIS 52 5.845 -10.776 -5.586 436 HD2 HIS 52 2HD HIS 52 3.295 -8.603 -8.064 437 HE1 HIS 52 1HE HIS 52 7.318 -9.448 -7.073 438 HE2 HIS 52 2HE HIS 52 5.768 -8.045 -8.492 439 H LEU 53 H LEU 53 0.619 -13.496 -6.855 440 HA LEU 53 HA LEU 53 -1.517 -12.875 -5.258 441 HB2 LEU 53 2HB LEU 53 -0.646 -15.571 -6.234 442 HB3 LEU 53 1HB LEU 53 -2.139 -15.330 -5.354 443 HG LEU 53 HG LEU 53 -1.454 -13.999 -7.947 444 HD11 LEU 53 1HD1 LEU 53 -1.689 -16.434 -8.225 445 HD12 LEU 53 2HD1 LEU 53 -3.080 -15.599 -8.919 446 HD13 LEU 53 3HD1 LEU 53 -3.220 -16.387 -7.353 447 HD21 LEU 53 3HD2 LEU 53 -3.896 -13.526 -8.002 448 HD22 LEU 53 1HD2 LEU 53 -3.072 -12.731 -6.657 449 HD23 LEU 53 2HD2 LEU 53 -4.023 -14.186 -6.374 450 H ASP 54 H ASP 54 1.206 -14.801 -4.334 451 HA ASP 54 HA ASP 54 0.209 -16.040 -2.060 452 HB2 ASP 54 2HB ASP 54 2.420 -16.589 -2.927 453 HB3 ASP 54 1HB ASP 54 3.025 -15.021 -2.389 454 H GLU 55 H GLU 55 1.848 -12.886 -2.136 455 HA GLU 55 HA GLU 55 1.439 -12.570 0.677 456 HB2 GLU 55 2HB GLU 55 3.299 -11.543 -0.677 457 HB3 GLU 55 1HB GLU 55 2.120 -10.395 -1.292 458 HG2 GLU 55 2HG GLU 55 3.450 -9.466 0.547 459 HG3 GLU 55 1HG GLU 55 1.737 -9.541 0.941 460 H ILE 56 H ILE 56 -0.254 -11.769 -2.201 461 HA ILE 56 HA ILE 56 -2.046 -9.842 -1.184 462 HB ILE 56 HB ILE 56 -2.587 -11.828 -3.420 463 HG12 ILE 56 2HG1 ILE 56 -0.531 -10.678 -4.020 464 HG13 ILE 56 1HG1 ILE 56 -1.846 -10.026 -4.974 465 HG21 ILE 56 1HG2 ILE 56 -3.801 -9.124 -2.873 466 HG22 ILE 56 2HG2 ILE 56 -4.597 -10.688 -2.694 467 HG23 ILE 56 3HG2 ILE 56 -4.115 -10.116 -4.296 468 HD11 ILE 56 3HD1 ILE 56 -0.640 -8.728 -2.546 469 HD12 ILE 56 1HD1 ILE 56 -1.944 -8.073 -3.536 470 HD13 ILE 56 2HD1 ILE 56 -0.338 -8.289 -4.227 471 H ARG 57 H ARG 57 -2.243 -13.359 -1.529 472 HA ARG 57 HA ARG 57 -4.796 -13.506 -0.262 473 HB2 ARG 57 2HB ARG 57 -4.528 -15.962 -0.324 474 HB3 ARG 57 1HB ARG 57 -4.178 -15.231 -1.879 475 HG2 ARG 57 2HG ARG 57 -1.769 -15.395 -1.361 476 HG3 ARG 57 1HG ARG 57 -2.177 -16.237 0.129 477 HD2 ARG 57 2HD ARG 57 -2.862 -17.172 -2.659 478 HD3 ARG 57 1HD ARG 57 -1.533 -17.772 -1.676 479 HE ARG 57 HE ARG 57 -4.323 -18.002 -0.806 480 HH11 ARG 57 1HH1 ARG 57 -1.161 -19.522 -1.400 481 HH12 ARG 57 2HH1 ARG 57 -1.635 -21.049 -0.848 482 HH21 ARG 57 1HH2 ARG 57 -4.979 -20.122 -0.127 483 HH22 ARG 57 2HH2 ARG 57 -3.869 -21.421 -0.134 484 H LYS 58 H LYS 58 -1.496 -13.763 0.906 485 HA LYS 58 HA LYS 58 -2.089 -14.775 3.479 486 HB2 LYS 58 2HB LYS 58 0.211 -13.412 2.241 487 HB3 LYS 58 1HB LYS 58 0.055 -13.183 3.971 488 HG2 LYS 58 2HG LYS 58 1.562 -15.023 3.465 489 HG3 LYS 58 1HG LYS 58 0.134 -15.593 4.309 490 HD2 LYS 58 2HD LYS 58 -0.774 -16.501 2.299 491 HD3 LYS 58 1HD LYS 58 0.468 -15.717 1.322 492 HE2 LYS 58 2HE LYS 58 0.984 -17.840 3.404 493 HE3 LYS 58 1HE LYS 58 0.904 -18.124 1.667 494 HZ1 LYS 58 3HZ LYS 58 2.771 -16.635 1.364 495 HZ2 LYS 58 1HZ LYS 58 3.189 -17.899 2.390 496 HZ3 LYS 58 2HZ LYS 58 2.896 -16.362 3.028 497 H ASN 59 H ASN 59 -1.880 -11.475 2.240 498 HA ASN 59 HA ASN 59 -3.306 -10.682 4.642 499 HB2 ASN 59 2HB ASN 59 -1.100 -9.128 3.290 500 HB3 ASN 59 1HB ASN 59 -2.216 -8.412 4.452 501 HD21 ASN 59 1HD2 ASN 59 0.526 -10.524 4.023 502 HD22 ASN 59 2HD2 ASN 59 0.809 -10.752 5.693 503 H LYS 60 H LYS 60 -4.917 -11.360 3.056 504 HA LYS 60 HA LYS 60 -5.541 -9.793 0.814 505 HB2 LYS 60 2HB LYS 60 -7.730 -10.919 0.818 506 HB3 LYS 60 1HB LYS 60 -6.385 -12.036 0.960 507 HG2 LYS 60 2HG LYS 60 -6.812 -12.181 3.394 508 HG3 LYS 60 1HG LYS 60 -8.218 -11.137 3.178 509 HD2 LYS 60 2HD LYS 60 -7.811 -13.839 1.878 510 HD3 LYS 60 1HD LYS 60 -8.845 -13.516 3.267 511 HE2 LYS 60 2HE LYS 60 -10.237 -12.040 1.897 512 HE3 LYS 60 1HE LYS 60 -9.182 -12.321 0.514 513 HZ1 LYS 60 3HZ LYS 60 -9.764 -14.630 0.560 514 HZ2 LYS 60 1HZ LYS 60 -11.145 -13.687 0.404 515 HZ3 LYS 60 2HZ LYS 60 -10.778 -14.409 1.893 516 H GLU 61 H GLU 61 -6.272 -9.347 4.154 517 HA GLU 61 HA GLU 61 -8.344 -7.452 3.875 518 HB2 GLU 61 2HB GLU 61 -6.292 -7.877 6.045 519 HB3 GLU 61 1HB GLU 61 -7.706 -6.842 6.164 520 HG2 GLU 61 2HG GLU 61 -9.186 -8.677 6.102 521 HG3 GLU 61 1HG GLU 61 -7.917 -9.780 5.585 522 H PHE 62 H PHE 62 -4.867 -7.221 4.411 523 HA PHE 62 HA PHE 62 -4.596 -4.442 4.462 524 HB2 PHE 62 2HB PHE 62 -2.875 -5.971 5.305 525 HB3 PHE 62 1HB PHE 62 -2.617 -6.582 3.677 526 HD1 PHE 62 2HD PHE 62 -2.305 -3.544 5.778 527 HD2 PHE 62 1HD PHE 62 -1.059 -5.582 2.257 528 HE1 PHE 62 2HE PHE 62 -0.551 -1.856 5.420 529 HE2 PHE 62 1HE PHE 62 0.700 -3.907 1.900 530 HZ PHE 62 HZ PHE 62 0.955 -2.040 3.480 531 H TYR 63 H TYR 63 -4.099 -6.745 1.807 532 HA TYR 63 HA TYR 63 -3.463 -4.721 -0.022 533 HB2 TYR 63 2HB TYR 63 -4.064 -7.622 -0.402 534 HB3 TYR 63 1HB TYR 63 -3.776 -6.550 -1.778 535 HD1 TYR 63 1HD TYR 63 -1.647 -5.327 -1.961 536 HD2 TYR 63 2HD TYR 63 -2.243 -8.334 0.970 537 HE1 TYR 63 1HE TYR 63 0.782 -5.447 -1.606 538 HE2 TYR 63 2HE TYR 63 0.158 -8.475 1.333 539 HH TYR 63 HH TYR 63 2.225 -7.964 0.141 540 H ASP 64 H ASP 64 -6.512 -6.123 0.819 541 HA ASP 64 HA ASP 64 -7.922 -5.055 -1.405 542 HB2 ASP 64 2HB ASP 64 -8.958 -6.812 -0.123 543 HB3 ASP 64 1HB ASP 64 -8.865 -5.859 1.353 544 H MET 65 H MET 65 -7.300 -3.871 1.868 545 HA MET 65 HA MET 65 -8.755 -1.491 1.587 546 HB2 MET 65 2HB MET 65 -6.540 -2.264 3.459 547 HB3 MET 65 1HB MET 65 -7.505 -0.792 3.609 548 HG2 MET 65 2HG MET 65 -9.501 -2.078 3.918 549 HG3 MET 65 1HG MET 65 -8.616 -3.563 3.578 550 HE1 MET 65 3HE MET 65 -9.122 -0.610 6.054 551 HE2 MET 65 1HE MET 65 -7.392 -0.565 5.703 552 HE3 MET 65 2HE MET 65 -7.944 -0.996 7.325 553 H ILE 66 H ILE 66 -5.251 -2.200 1.193 554 HA ILE 66 HA ILE 66 -4.725 0.515 0.651 555 HB ILE 66 HB ILE 66 -2.520 -0.091 -0.234 556 HG12 ILE 66 2HG1 ILE 66 -3.244 -2.925 0.338 557 HG13 ILE 66 1HG1 ILE 66 -3.274 -2.272 -1.302 558 HG21 ILE 66 1HG2 ILE 66 -3.231 -1.529 2.308 559 HG22 ILE 66 2HG2 ILE 66 -2.768 0.168 2.146 560 HG23 ILE 66 3HG2 ILE 66 -1.596 -1.104 1.795 561 HD11 ILE 66 3HD1 ILE 66 -0.874 -1.770 -1.088 562 HD12 ILE 66 1HD1 ILE 66 -1.211 -3.490 -0.906 563 HD13 ILE 66 2HD1 ILE 66 -0.881 -2.499 0.519 564 H ALA 67 H ALA 67 -5.588 -2.151 -1.496 565 HA ALA 67 HA ALA 67 -5.083 -0.862 -3.944 566 HB1 ALA 67 1HB ALA 67 -7.366 -2.738 -3.303 567 HB2 ALA 67 2HB ALA 67 -5.739 -3.238 -3.764 568 HB3 ALA 67 3HB ALA 67 -6.748 -2.353 -4.910 569 H GLU 68 H GLU 68 -7.846 -0.668 -1.810 570 HA GLU 68 HA GLU 68 -9.465 1.013 -3.381 571 HB2 GLU 68 2HB GLU 68 -10.273 -0.231 -1.425 572 HB3 GLU 68 1HB GLU 68 -9.233 0.709 -0.376 573 HG2 GLU 68 2HG GLU 68 -11.528 1.430 -0.185 574 HG3 GLU 68 1HG GLU 68 -10.538 2.708 -0.882 575 H ILE 69 H ILE 69 -7.178 1.708 -0.796 576 HA ILE 69 HA ILE 69 -7.391 4.508 -0.843 577 HB ILE 69 HB ILE 69 -5.123 2.768 0.172 578 HG12 ILE 69 2HG1 ILE 69 -7.424 4.043 1.666 579 HG13 ILE 69 1HG1 ILE 69 -7.403 2.368 1.130 580 HG21 ILE 69 1HG2 ILE 69 -5.756 5.663 0.793 581 HG22 ILE 69 2HG2 ILE 69 -4.378 5.089 -0.148 582 HG23 ILE 69 3HG2 ILE 69 -4.501 4.694 1.566 583 HD11 ILE 69 3HD1 ILE 69 -5.466 1.952 2.535 584 HD12 ILE 69 1HD1 ILE 69 -6.841 2.522 3.467 585 HD13 ILE 69 2HD1 ILE 69 -5.508 3.624 3.107 586 H LEU 70 H LEU 70 -5.107 2.338 -2.486 587 HA LEU 70 HA LEU 70 -3.370 4.251 -3.550 588 HB2 LEU 70 2HB LEU 70 -4.195 1.591 -4.722 589 HB3 LEU 70 1HB LEU 70 -2.859 2.562 -5.293 590 HG LEU 70 HG LEU 70 -3.010 1.447 -2.494 591 HD11 LEU 70 1HD1 LEU 70 -2.939 -0.384 -4.087 592 HD12 LEU 70 2HD1 LEU 70 -1.393 -0.226 -3.253 593 HD13 LEU 70 3HD1 LEU 70 -1.570 0.365 -4.905 594 HD21 LEU 70 3HD2 LEU 70 -0.757 2.654 -4.093 595 HD22 LEU 70 1HD2 LEU 70 -0.609 1.939 -2.486 596 HD23 LEU 70 2HD2 LEU 70 -1.581 3.391 -2.718 597 H GLN 71 H GLN 71 -6.290 2.882 -4.990 598 HA GLN 71 HA GLN 71 -6.157 4.346 -7.410 599 HB2 GLN 71 2HB GLN 71 -8.562 3.193 -5.972 600 HB3 GLN 71 1HB GLN 71 -8.547 3.743 -7.641 601 HG2 GLN 71 2HG GLN 71 -7.032 1.987 -8.272 602 HG3 GLN 71 1HG GLN 71 -6.799 1.515 -6.607 603 HE21 GLN 71 1HE2 GLN 71 -8.381 0.414 -5.574 604 HE22 GLN 71 2HE2 GLN 71 -9.680 -0.398 -6.360 605 H ARG 72 H ARG 72 -7.872 4.832 -4.433 606 HA ARG 72 HA ARG 72 -9.350 7.129 -4.954 607 HB2 ARG 72 2HB ARG 72 -9.418 5.385 -3.103 608 HB3 ARG 72 1HB ARG 72 -8.140 6.295 -2.341 609 HG2 ARG 72 2HG ARG 72 -9.628 8.190 -2.073 610 HG3 ARG 72 1HG ARG 72 -10.911 7.319 -2.935 611 HD2 ARG 72 2HD ARG 72 -10.559 5.456 -1.215 612 HD3 ARG 72 1HD ARG 72 -9.647 6.640 -0.296 613 HE ARG 72 HE ARG 72 -11.615 7.882 0.027 614 HH11 ARG 72 1HH1 ARG 72 -12.187 4.722 -1.622 615 HH12 ARG 72 2HH1 ARG 72 -13.789 4.630 -1.114 616 HH21 ARG 72 1HH2 ARG 72 -13.863 7.639 0.736 617 HH22 ARG 72 2HH2 ARG 72 -14.781 6.301 0.198 618 H TYR 73 H TYR 73 -6.107 6.729 -3.530 619 HA TYR 73 HA TYR 73 -5.924 9.571 -3.347 620 HB2 TYR 73 2HB TYR 73 -4.464 7.414 -1.947 621 HB3 TYR 73 1HB TYR 73 -3.715 9.001 -2.096 622 HD1 TYR 73 2HD TYR 73 -6.845 7.333 -0.926 623 HD2 TYR 73 1HD TYR 73 -4.325 10.745 -0.743 624 HE1 TYR 73 2HE TYR 73 -8.233 8.263 0.890 625 HE2 TYR 73 1HE TYR 73 -5.700 11.676 1.045 626 HH TYR 73 HH TYR 73 -8.125 9.885 2.633 627 H TYR 74 H TYR 74 -4.519 7.194 -5.517 628 HA TYR 74 HA TYR 74 -2.387 8.904 -6.167 629 HB2 TYR 74 2HB TYR 74 -1.826 7.401 -7.801 630 HB3 TYR 74 1HB TYR 74 -2.936 6.369 -6.935 631 HD1 TYR 74 2HD TYR 74 -5.206 6.027 -7.809 632 HD2 TYR 74 1HD TYR 74 -2.302 8.122 -10.063 633 HE1 TYR 74 2HE TYR 74 -6.568 5.735 -9.820 634 HE2 TYR 74 1HE TYR 74 -3.664 7.844 -12.096 635 HH TYR 74 HH TYR 74 -5.445 6.318 -12.923 636 H LYS 75 H LYS 75 -5.756 8.812 -7.060 637 HA LYS 75 HA LYS 75 -5.552 10.804 -9.104 638 HB2 LYS 75 2HB LYS 75 -7.942 9.994 -7.428 639 HB3 LYS 75 1HB LYS 75 -8.007 10.968 -8.888 640 HG2 LYS 75 2HG LYS 75 -7.213 9.080 -10.206 641 HG3 LYS 75 1HG LYS 75 -7.065 8.109 -8.744 642 HD2 LYS 75 2HD LYS 75 -9.495 8.375 -8.375 643 HD3 LYS 75 1HD LYS 75 -9.599 9.258 -9.895 644 HE2 LYS 75 2HE LYS 75 -8.673 6.389 -9.590 645 HE3 LYS 75 1HE LYS 75 -10.268 6.895 -10.126 646 HZ1 LYS 75 3HZ LYS 75 -7.697 7.310 -11.600 647 HZ2 LYS 75 1HZ LYS 75 -9.186 7.991 -12.028 648 HZ3 LYS 75 2HZ LYS 75 -8.982 6.326 -12.001 649 H LYS 76 H LYS 76 -6.114 10.817 -5.666 650 HA LYS 76 HA LYS 76 -6.876 13.559 -5.511 651 HB2 LYS 76 2HB LYS 76 -7.738 11.892 -3.944 652 HB3 LYS 76 1HB LYS 76 -6.116 11.601 -3.351 653 HG2 LYS 76 2HG LYS 76 -6.032 13.826 -2.384 654 HG3 LYS 76 1HG LYS 76 -7.620 14.196 -3.067 655 HD2 LYS 76 2HD LYS 76 -8.664 12.500 -1.729 656 HD3 LYS 76 1HD LYS 76 -7.106 11.924 -1.150 657 HE2 LYS 76 2HE LYS 76 -6.749 14.065 -0.003 658 HE3 LYS 76 1HE LYS 76 -8.310 14.638 -0.582 659 HZ1 LYS 76 3HZ LYS 76 -9.431 13.030 0.758 660 HZ2 LYS 76 1HZ LYS 76 -8.293 13.781 1.736 661 HZ3 LYS 76 2HZ LYS 76 -8.012 12.228 1.182 662 H ILE 77 H ILE 77 -3.865 11.830 -4.533 663 HA ILE 77 HA ILE 77 -2.594 14.497 -4.477 664 HB ILE 77 HB ILE 77 -1.029 13.678 -2.716 665 HG12 ILE 77 2HG1 ILE 77 -2.967 11.355 -2.495 666 HG13 ILE 77 1HG1 ILE 77 -1.325 11.250 -3.113 667 HG21 ILE 77 1HG2 ILE 77 -2.905 15.093 -2.119 668 HG22 ILE 77 2HG2 ILE 77 -2.598 13.912 -0.844 669 HG23 ILE 77 3HG2 ILE 77 -3.945 13.675 -1.958 670 HD11 ILE 77 3HD1 ILE 77 -1.448 10.427 -0.845 671 HD12 ILE 77 1HD1 ILE 77 -2.121 11.965 -0.297 672 HD13 ILE 77 2HD1 ILE 77 -0.470 11.891 -0.914 673 H GLY 78 H GLY 78 -2.180 11.122 -5.340 674 HA2 GLY 78 2HA GLY 78 -0.897 11.000 -7.520 675 HA3 GLY 78 1HA GLY 78 0.353 11.880 -6.646 676 H ILE 79 H ILE 79 0.313 9.172 -7.910 677 HA ILE 79 HA ILE 79 0.135 7.188 -5.953 678 HB ILE 79 HB ILE 79 0.029 6.610 -8.330 679 HG12 ILE 79 2HG1 ILE 79 1.534 4.605 -8.319 680 HG13 ILE 79 1HG1 ILE 79 2.316 5.258 -6.887 681 HG21 ILE 79 1HG2 ILE 79 1.651 8.153 -9.241 682 HG22 ILE 79 2HG2 ILE 79 2.034 6.506 -9.739 683 HG23 ILE 79 3HG2 ILE 79 2.962 7.276 -8.451 684 HD11 ILE 79 3HD1 ILE 79 0.701 3.510 -6.336 685 HD12 ILE 79 1HD1 ILE 79 -0.582 4.452 -7.085 686 HD13 ILE 79 2HD1 ILE 79 0.227 5.059 -5.640 687 H GLU 80 H GLU 80 2.942 9.103 -6.953 688 HA GLU 80 HA GLU 80 4.962 7.618 -5.683 689 HB2 GLU 80 2HB GLU 80 4.777 10.591 -6.162 690 HB3 GLU 80 1HB GLU 80 6.223 9.758 -5.641 691 HG2 GLU 80 2HG GLU 80 6.307 8.521 -7.712 692 HG3 GLU 80 1HG GLU 80 4.774 9.228 -8.226 693 H ASN 81 H ASN 81 2.877 10.130 -4.598 694 HA ASN 81 HA ASN 81 3.989 10.520 -2.036 695 HB2 ASN 81 2HB ASN 81 1.213 11.077 -3.076 696 HB3 ASN 81 1HB ASN 81 1.731 11.537 -1.468 697 HD21 ASN 81 1HD2 ASN 81 1.469 13.715 -1.818 698 HD22 ASN 81 2HD2 ASN 81 2.469 14.618 -2.868 699 H VAL 82 H VAL 82 1.236 8.634 -3.173 700 HA VAL 82 HA VAL 82 0.437 7.658 -0.649 701 HB VAL 82 HB VAL 82 -0.069 6.323 -3.326 702 HG11 VAL 82 1HG1 VAL 82 -1.590 6.225 -0.724 703 HG12 VAL 82 2HG1 VAL 82 -0.652 4.911 -1.434 704 HG13 VAL 82 3HG1 VAL 82 -2.116 5.492 -2.237 705 HG21 VAL 82 3HG2 VAL 82 -1.643 8.466 -1.930 706 HG22 VAL 82 1HG2 VAL 82 -2.153 7.611 -3.385 707 HG23 VAL 82 2HG2 VAL 82 -0.727 8.650 -3.427 708 H ASN 83 H ASN 83 2.581 6.406 -3.091 709 HA ASN 83 HA ASN 83 3.092 3.807 -2.256 710 HB2 ASN 83 2HB ASN 83 3.947 4.944 -4.323 711 HB3 ASN 83 1HB ASN 83 5.090 5.822 -3.333 712 HD21 ASN 83 1HD2 ASN 83 5.558 4.114 -5.581 713 HD22 ASN 83 2HD2 ASN 83 6.566 2.819 -5.067 714 H GLN 84 H GLN 84 4.719 6.750 -1.313 715 HA GLN 84 HA GLN 84 6.464 5.612 0.626 716 HB2 GLN 84 2HB GLN 84 6.499 7.952 -0.625 717 HB3 GLN 84 1HB GLN 84 5.549 8.461 0.750 718 HG2 GLN 84 2HG GLN 84 8.343 7.318 0.895 719 HG3 GLN 84 1HG GLN 84 7.939 9.025 0.968 720 HE21 GLN 84 1HE2 GLN 84 8.119 6.054 2.655 721 HE22 GLN 84 2HE2 GLN 84 7.737 6.647 4.225 722 H LEU 85 H LEU 85 3.279 7.124 0.775 723 HA LEU 85 HA LEU 85 3.116 7.240 3.595 724 HB2 LEU 85 2HB LEU 85 0.915 7.275 1.539 725 HB3 LEU 85 1HB LEU 85 0.695 7.649 3.238 726 HG LEU 85 HG LEU 85 2.453 9.203 1.334 727 HD11 LEU 85 1HD1 LEU 85 -0.234 9.917 2.474 728 HD12 LEU 85 2HD1 LEU 85 0.111 9.489 0.801 729 HD13 LEU 85 3HD1 LEU 85 0.793 10.958 1.494 730 HD21 LEU 85 3HD2 LEU 85 1.692 9.741 4.207 731 HD22 LEU 85 1HD2 LEU 85 2.567 10.854 3.154 732 HD23 LEU 85 2HD2 LEU 85 3.299 9.319 3.603 733 H ILE 86 H ILE 86 2.059 4.771 1.298 734 HA ILE 86 HA ILE 86 0.821 3.111 3.236 735 HB ILE 86 HB ILE 86 2.105 2.337 0.591 736 HG12 ILE 86 2HG1 ILE 86 0.263 3.895 0.280 737 HG13 ILE 86 1HG1 ILE 86 -0.201 2.300 -0.296 738 HG21 ILE 86 1HG2 ILE 86 0.229 0.717 2.314 739 HG22 ILE 86 2HG2 ILE 86 1.934 0.375 2.019 740 HG23 ILE 86 3HG2 ILE 86 0.772 0.269 0.695 741 HD11 ILE 86 3HD1 ILE 86 -1.479 1.960 1.790 742 HD12 ILE 86 1HD1 ILE 86 -2.037 3.360 0.873 743 HD13 ILE 86 2HD1 ILE 86 -1.035 3.590 2.301 744 H LEU 87 H LEU 87 4.122 3.342 2.019 745 HA LEU 87 HA LEU 87 5.150 1.210 3.540 746 HB2 LEU 87 2HB LEU 87 6.524 3.679 2.482 747 HB3 LEU 87 1HB LEU 87 7.366 2.315 3.190 748 HG LEU 87 HG LEU 87 5.706 2.249 0.668 749 HD11 LEU 87 1HD1 LEU 87 7.812 3.412 0.361 750 HD12 LEU 87 2HD1 LEU 87 7.819 1.845 -0.451 751 HD13 LEU 87 3HD1 LEU 87 8.671 2.047 1.080 752 HD21 LEU 87 3HD2 LEU 87 7.303 0.108 2.048 753 HD22 LEU 87 1HD2 LEU 87 6.601 -0.039 0.433 754 HD23 LEU 87 2HD2 LEU 87 5.549 0.143 1.833 755 H THR 88 H THR 88 4.754 4.603 4.211 756 HA THR 88 HA THR 88 5.962 4.786 6.729 757 HB THR 88 HB THR 88 3.491 6.236 5.722 758 HG1 THR 88 1HG THR 88 5.385 6.503 4.394 759 HG21 THR 88 3HG2 THR 88 3.781 6.463 8.162 760 HG22 THR 88 1HG2 THR 88 4.084 7.994 7.336 761 HG23 THR 88 2HG2 THR 88 5.435 7.013 7.906 762 H THR 89 H THR 89 2.862 3.535 5.747 763 HA THR 89 HA THR 89 1.582 3.465 8.231 764 HB THR 89 HB THR 89 1.119 1.776 5.770 765 HG1 THR 89 1HG THR 89 0.947 4.079 5.406 766 HG21 THR 89 3HG2 THR 89 0.006 0.865 7.748 767 HG22 THR 89 1HG2 THR 89 -1.158 1.567 6.627 768 HG23 THR 89 2HG2 THR 89 -0.699 2.449 8.084 769 H ILE 90 H ILE 90 3.450 1.013 6.460 770 HA ILE 90 HA ILE 90 3.067 -0.878 8.609 771 HB ILE 90 HB ILE 90 4.442 -2.434 7.212 772 HG12 ILE 90 2HG1 ILE 90 4.319 -0.168 5.201 773 HG13 ILE 90 1HG1 ILE 90 5.775 -0.748 6.001 774 HG21 ILE 90 1HG2 ILE 90 2.699 -2.754 5.508 775 HG22 ILE 90 2HG2 ILE 90 2.050 -1.162 5.902 776 HG23 ILE 90 3HG2 ILE 90 2.024 -2.449 7.110 777 HD11 ILE 90 3HD1 ILE 90 5.517 -2.902 4.882 778 HD12 ILE 90 1HD1 ILE 90 5.621 -1.572 3.727 779 HD13 ILE 90 2HD1 ILE 90 4.060 -2.311 4.084 780 H LYS 91 H LYS 91 5.218 1.547 7.971 781 HA LYS 91 HA LYS 91 7.380 0.344 9.479 782 HB2 LYS 91 2HB LYS 91 7.026 3.100 8.299 783 HB3 LYS 91 1HB LYS 91 8.404 2.667 9.288 784 HG2 LYS 91 2HG LYS 91 7.654 1.325 6.691 785 HG3 LYS 91 1HG LYS 91 8.856 2.597 6.849 786 HD2 LYS 91 2HD LYS 91 8.988 -0.119 8.183 787 HD3 LYS 91 1HD LYS 91 9.883 0.360 6.746 788 HE2 LYS 91 2HE LYS 91 10.967 2.150 8.059 789 HE3 LYS 91 1HE LYS 91 10.130 1.576 9.498 790 HZ1 LYS 91 3HZ LYS 91 12.152 0.100 7.908 791 HZ2 LYS 91 1HZ LYS 91 11.314 -0.579 9.203 792 HZ3 LYS 91 2HZ LYS 91 12.367 0.726 9.423 793 H LEU 92 H LEU 92 7.634 0.539 11.584 794 HA LEU 92 HA LEU 92 5.637 1.732 13.224 795 HB2 LEU 92 2HB LEU 92 8.441 0.850 13.933 796 HB3 LEU 92 1HB LEU 92 7.163 1.197 15.074 797 HG LEU 92 HG LEU 92 7.135 -1.067 13.078 798 HD11 LEU 92 1HD1 LEU 92 7.454 -2.498 15.033 799 HD12 LEU 92 2HD1 LEU 92 7.622 -1.065 16.050 800 HD13 LEU 92 3HD1 LEU 92 8.815 -1.400 14.798 801 HD21 LEU 92 3HD2 LEU 92 5.194 -1.848 14.359 802 HD22 LEU 92 1HD2 LEU 92 4.889 -0.274 13.623 803 HD23 LEU 92 2HD2 LEU 92 5.257 -0.386 15.343 804 H GLU 93 H GLU 93 9.002 2.421 12.628 805 HA GLU 93 HA GLU 93 10.294 4.176 12.643 806 HB2 GLU 93 2HB GLU 93 8.632 4.956 10.924 807 HB3 GLU 93 1HB GLU 93 7.849 5.885 12.194 808 HG2 GLU 93 2HG GLU 93 9.339 7.289 10.875 809 HG3 GLU 93 1HG GLU 93 9.889 7.155 12.548 810 H HIS 94 H HIS 94 10.685 3.686 14.803 811 HA HIS 94 HA HIS 94 10.070 5.976 16.507 812 HB2 HIS 94 2HB HIS 94 9.027 3.885 17.426 813 HB3 HIS 94 1HB HIS 94 10.598 3.104 17.393 814 HD1 HIS 94 1HD HIS 94 12.199 3.605 19.350 815 HD2 HIS 94 2HD HIS 94 8.694 5.832 19.483 816 HE1 HIS 94 1HE HIS 94 12.162 4.654 21.608 817 HE2 HIS 94 2HE HIS 94 10.015 5.958 21.701 818 H HIS 95 H HIS 95 11.873 7.040 16.994 819 HA HIS 95 HA HIS 95 14.260 6.050 15.785 820 HB2 HIS 95 2HB HIS 95 13.668 8.664 17.134 821 HB3 HIS 95 1HB HIS 95 15.274 8.239 16.548 822 HD1 HIS 95 1HD HIS 95 12.306 9.884 15.510 823 HD2 HIS 95 2HD HIS 95 15.125 7.492 13.648 824 HE1 HIS 95 1HE HIS 95 12.057 10.339 13.049 825 HE2 HIS 95 2HE HIS 95 13.645 8.728 11.949 826 H HIS 96 H HIS 96 16.248 5.817 16.681 827 HA HIS 96 HA HIS 96 16.207 4.514 19.235 828 HB2 HIS 96 2HB HIS 96 17.465 3.623 17.266 829 HB3 HIS 96 1HB HIS 96 18.464 5.061 17.278 830 HD1 HIS 96 1HD HIS 96 18.521 1.658 18.290 831 HD2 HIS 96 2HD HIS 96 19.955 5.197 19.917 832 HE1 HIS 96 1HE HIS 96 20.349 0.988 19.851 833 HE2 HIS 96 2HE HIS 96 21.417 3.159 20.479 834 H HIS 97 H HIS 97 15.845 6.163 20.678 835 HA HIS 97 HA HIS 97 17.069 8.686 20.651 836 HB2 HIS 97 2HB HIS 97 15.034 7.977 22.018 837 HB3 HIS 97 1HB HIS 97 16.160 7.234 23.146 838 HD1 HIS 97 1HD HIS 97 16.977 8.732 24.988 839 HD2 HIS 97 2HD HIS 97 15.496 10.874 21.755 840 HE1 HIS 97 1HE HIS 97 17.020 11.130 25.687 841 HE2 HIS 97 2HE HIS 97 15.865 12.353 23.814 842 H HIS 98 H HIS 98 19.054 9.322 21.139 843 HA HIS 98 HA HIS 98 20.773 7.620 22.744 844 HB2 HIS 98 2HB HIS 98 21.104 6.833 20.436 845 HB3 HIS 98 1HB HIS 98 21.393 8.479 19.900 846 HD1 HIS 98 1HD HIS 98 23.826 9.239 19.901 847 HD2 HIS 98 2HD HIS 98 23.213 5.812 22.182 848 HE1 HIS 98 1HE HIS 98 26.078 8.485 20.590 849 HE2 HIS 98 2HE HIS 98 25.685 6.260 21.680 850 H HIS 99 H HIS 99 22.209 8.850 23.884 851 HA HIS 99 HA HIS 99 22.175 11.697 23.309 852 HB2 HIS 99 2HB HIS 99 23.148 12.088 25.543 853 HB3 HIS 99 1HB HIS 99 21.677 11.154 25.686 854 HD1 HIS 99 1HD HIS 99 22.051 8.552 26.304 855 HD2 HIS 99 2HD HIS 99 25.381 11.001 26.654 856 HE1 HIS 99 1HE HIS 99 23.661 7.294 27.732 857 HE2 HIS 99 2HE HIS 99 25.398 8.977 28.257 Start of MODEL 19 1 H1 MET 1 1HT MET 1 4.477 14.417 4.868 2 H2 MET 1 2HT MET 1 3.770 13.096 4.085 3 H3 MET 1 3HT MET 1 4.230 12.963 5.700 4 HA MET 1 HA MET 1 2.566 14.485 6.381 5 HB2 MET 1 2HB MET 1 2.605 15.781 4.182 6 HB3 MET 1 1HB MET 1 1.715 14.458 3.459 7 HG2 MET 1 2HG MET 1 0.692 16.122 5.767 8 HG3 MET 1 1HG MET 1 0.341 16.460 4.082 9 HE1 MET 1 2HE MET 1 -3.088 15.142 5.499 10 HE2 MET 1 3HE MET 1 -2.281 16.458 4.647 11 HE3 MET 1 1HE MET 1 -1.898 16.133 6.338 12 H SER 2 H SER 2 1.655 12.885 7.530 13 HA SER 2 HA SER 2 0.889 10.465 6.228 14 HB2 SER 2 2HB SER 2 0.511 11.370 9.086 15 HB3 SER 2 1HB SER 2 0.313 9.721 8.484 16 HG SER 2 HG SER 2 2.635 10.533 7.637 17 H ILE 3 H ILE 3 -0.781 10.549 5.003 18 HA ILE 3 HA ILE 3 -2.968 12.278 5.208 19 HB ILE 3 HB ILE 3 -4.020 10.719 3.482 20 HG12 ILE 3 2HG1 ILE 3 -1.304 9.359 3.687 21 HG13 ILE 3 1HG1 ILE 3 -2.830 8.651 4.193 22 HG21 ILE 3 1HG2 ILE 3 -1.253 11.805 2.956 23 HG22 ILE 3 2HG2 ILE 3 -2.760 12.718 2.889 24 HG23 ILE 3 3HG2 ILE 3 -2.461 11.428 1.725 25 HD11 ILE 3 3HD1 ILE 3 -2.063 9.397 1.380 26 HD12 ILE 3 1HD1 ILE 3 -3.591 8.670 1.872 27 HD13 ILE 3 2HD1 ILE 3 -2.086 7.769 2.057 28 H LEU 4 H LEU 4 -3.883 12.166 7.215 29 HA LEU 4 HA LEU 4 -4.935 9.611 8.145 30 HB2 LEU 4 2HB LEU 4 -4.798 12.288 9.517 31 HB3 LEU 4 1HB LEU 4 -5.366 10.804 10.254 32 HG LEU 4 HG LEU 4 -2.552 11.319 9.287 33 HD11 LEU 4 1HD1 LEU 4 -3.089 12.595 11.271 34 HD12 LEU 4 2HD1 LEU 4 -1.973 11.285 11.651 35 HD13 LEU 4 3HD1 LEU 4 -3.684 11.136 12.064 36 HD21 LEU 4 3HD2 LEU 4 -2.015 9.199 10.395 37 HD22 LEU 4 1HD2 LEU 4 -3.153 8.970 9.068 38 HD23 LEU 4 2HD2 LEU 4 -3.729 8.945 10.733 39 H GLU 5 H GLU 5 -6.093 11.546 6.014 40 HA GLU 5 HA GLU 5 -8.634 12.432 6.979 41 HB2 GLU 5 2HB GLU 5 -7.977 11.645 4.146 42 HB3 GLU 5 1HB GLU 5 -9.240 12.733 4.678 43 HG2 GLU 5 2HG GLU 5 -7.571 14.379 5.314 44 HG3 GLU 5 1HG GLU 5 -6.284 13.267 4.843 45 H ASP 6 H ASP 6 -7.418 9.544 5.467 46 HA ASP 6 HA ASP 6 -10.009 8.466 4.917 47 HB2 ASP 6 2HB ASP 6 -8.074 8.253 3.403 48 HB3 ASP 6 1HB ASP 6 -7.305 7.194 4.583 49 HA PRO 7 HA PRO 7 -10.245 6.153 8.806 50 HB2 PRO 7 2HB PRO 7 -12.397 4.625 7.567 51 HB3 PRO 7 1HB PRO 7 -12.479 5.754 8.923 52 HG2 PRO 7 2HG PRO 7 -13.559 6.294 6.502 53 HG3 PRO 7 1HG PRO 7 -12.896 7.555 7.554 54 HD2 PRO 7 2HD PRO 7 -11.676 6.260 5.151 55 HD3 PRO 7 1HD PRO 7 -11.672 7.965 5.670 56 H GLU 8 H GLU 8 -10.000 4.598 5.652 57 HA GLU 8 HA GLU 8 -9.678 1.986 6.785 58 HB2 GLU 8 2HB GLU 8 -9.173 2.948 3.960 59 HB3 GLU 8 1HB GLU 8 -9.429 1.275 4.479 60 HG2 GLU 8 2HG GLU 8 -11.624 1.979 5.349 61 HG3 GLU 8 1HG GLU 8 -11.383 3.535 4.605 62 H PHE 9 H PHE 9 -7.829 4.545 5.635 63 HA PHE 9 HA PHE 9 -5.216 3.497 5.694 64 HB2 PHE 9 2HB PHE 9 -5.758 5.748 4.832 65 HB3 PHE 9 1HB PHE 9 -6.076 6.301 6.468 66 HD1 PHE 9 1HD PHE 9 -3.528 5.387 4.028 67 HD2 PHE 9 2HD PHE 9 -4.226 6.740 8.003 68 HE1 PHE 9 1HE PHE 9 -1.171 6.053 4.217 69 HE2 PHE 9 2HE PHE 9 -1.867 7.409 8.194 70 HZ PHE 9 HZ PHE 9 -0.342 7.069 6.300 71 H VAL 10 H VAL 10 -7.126 4.873 8.368 72 HA VAL 10 HA VAL 10 -5.015 4.448 10.205 73 HB VAL 10 HB VAL 10 -6.838 6.132 10.680 74 HG11 VAL 10 1HG1 VAL 10 -8.799 4.866 10.109 75 HG12 VAL 10 2HG1 VAL 10 -8.893 5.443 11.773 76 HG13 VAL 10 3HG1 VAL 10 -8.497 3.757 11.446 77 HG21 VAL 10 3HG2 VAL 10 -6.312 4.125 12.860 78 HG22 VAL 10 1HG2 VAL 10 -6.911 5.764 13.111 79 HG23 VAL 10 2HG2 VAL 10 -5.304 5.506 12.431 80 H LYS 11 H LYS 11 -7.660 2.460 9.146 81 HA LYS 11 HA LYS 11 -7.372 0.348 10.981 82 HB2 LYS 11 2HB LYS 11 -8.091 0.203 8.045 83 HB3 LYS 11 1HB LYS 11 -8.271 -1.122 9.182 84 HG2 LYS 11 2HG LYS 11 -9.857 0.215 10.468 85 HG3 LYS 11 1HG LYS 11 -9.697 1.523 9.294 86 HD2 LYS 11 2HD LYS 11 -10.542 0.030 7.537 87 HD3 LYS 11 1HD LYS 11 -10.693 -1.272 8.718 88 HE2 LYS 11 2HE LYS 11 -12.270 0.104 10.005 89 HE3 LYS 11 1HE LYS 11 -12.107 1.367 8.785 90 HZ1 LYS 11 3HZ LYS 11 -13.062 -0.146 7.152 91 HZ2 LYS 11 1HZ LYS 11 -14.105 0.045 8.461 92 HZ3 LYS 11 2HZ LYS 11 -13.195 -1.357 8.313 93 H LEU 12 H LEU 12 -5.602 1.114 8.039 94 HA LEU 12 HA LEU 12 -3.908 -1.150 8.003 95 HB2 LEU 12 2HB LEU 12 -3.507 1.642 6.951 96 HB3 LEU 12 1HB LEU 12 -2.400 0.318 6.637 97 HG LEU 12 HG LEU 12 -5.292 0.398 5.776 98 HD11 LEU 12 1HD1 LEU 12 -2.739 0.889 4.257 99 HD12 LEU 12 2HD1 LEU 12 -3.978 2.094 4.629 100 HD13 LEU 12 3HD1 LEU 12 -4.342 0.743 3.548 101 HD21 LEU 12 3HD2 LEU 12 -4.370 -1.861 6.108 102 HD22 LEU 12 1HD2 LEU 12 -3.033 -1.449 5.041 103 HD23 LEU 12 2HD2 LEU 12 -4.674 -1.510 4.404 104 H ARG 13 H ARG 13 -3.649 1.984 9.535 105 HA ARG 13 HA ARG 13 -1.043 1.732 10.581 106 HB2 ARG 13 2HB ARG 13 -3.426 3.329 11.525 107 HB3 ARG 13 1HB ARG 13 -1.863 3.410 12.322 108 HG2 ARG 13 2HG ARG 13 -2.286 4.057 9.407 109 HG3 ARG 13 1HG ARG 13 -2.311 5.256 10.701 110 HD2 ARG 13 2HD ARG 13 0.029 3.433 10.078 111 HD3 ARG 13 1HD ARG 13 -0.107 5.121 9.584 112 HE ARG 13 HE ARG 13 -0.069 5.753 11.860 113 HH11 ARG 13 1HH1 ARG 13 1.162 2.468 11.190 114 HH12 ARG 13 2HH1 ARG 13 1.810 2.263 12.749 115 HH21 ARG 13 1HH2 ARG 13 0.951 5.474 13.959 116 HH22 ARG 13 2HH2 ARG 13 1.713 4.021 14.362 117 H GLN 14 H GLN 14 -4.154 0.741 11.821 118 HA GLN 14 HA GLN 14 -3.146 -0.253 14.309 119 HB2 GLN 14 2HB GLN 14 -5.735 -0.822 12.879 120 HB3 GLN 14 1HB GLN 14 -5.375 -1.297 14.532 121 HG2 GLN 14 2HG GLN 14 -5.168 1.053 15.154 122 HG3 GLN 14 1HG GLN 14 -5.527 1.520 13.497 123 HE21 GLN 14 1HE2 GLN 14 -7.559 -0.667 13.254 124 HE22 GLN 14 2HE2 GLN 14 -8.918 -0.053 14.108 125 H PHE 15 H PHE 15 -3.574 -1.532 11.130 126 HA PHE 15 HA PHE 15 -3.411 -4.292 11.753 127 HB2 PHE 15 2HB PHE 15 -4.332 -3.401 9.619 128 HB3 PHE 15 1HB PHE 15 -2.729 -2.847 9.174 129 HD1 PHE 15 2HD PHE 15 -4.779 -5.854 9.814 130 HD2 PHE 15 1HD PHE 15 -1.202 -4.304 8.119 131 HE1 PHE 15 2HE PHE 15 -4.371 -8.011 8.706 132 HE2 PHE 15 1HE PHE 15 -0.790 -6.455 7.008 133 HZ PHE 15 HZ PHE 15 -2.373 -8.311 7.298 134 H LYS 16 H LYS 16 -1.057 -1.878 10.700 135 HA LYS 16 HA LYS 16 1.146 -1.596 11.076 136 HB2 LYS 16 2HB LYS 16 0.693 -2.424 13.398 137 HB3 LYS 16 1HB LYS 16 0.954 -4.062 12.840 138 HG2 LYS 16 2HG LYS 16 3.311 -3.529 12.396 139 HG3 LYS 16 1HG LYS 16 3.038 -1.874 12.945 140 HD2 LYS 16 2HD LYS 16 4.065 -3.209 14.712 141 HD3 LYS 16 1HD LYS 16 2.434 -2.729 15.172 142 HE2 LYS 16 2HE LYS 16 1.600 -4.951 14.556 143 HE3 LYS 16 1HE LYS 16 3.226 -5.421 14.048 144 HZ1 LYS 16 3HZ LYS 16 2.428 -4.649 16.796 145 HZ2 LYS 16 1HZ LYS 16 3.958 -5.148 16.325 146 HZ3 LYS 16 2HZ LYS 16 2.688 -6.235 16.267 147 H GLY 17 H GLY 17 3.338 -2.751 10.656 148 HA2 GLY 17 2HA GLY 17 3.170 -3.980 8.114 149 HA3 GLY 17 1HA GLY 17 4.636 -3.690 9.034 150 H LYS 18 H LYS 18 1.827 -5.776 8.963 151 HA LYS 18 HA LYS 18 3.222 -8.067 10.061 152 HB2 LYS 18 2HB LYS 18 0.501 -7.691 8.841 153 HB3 LYS 18 1HB LYS 18 1.095 -9.252 9.374 154 HG2 LYS 18 2HG LYS 18 1.249 -8.511 11.616 155 HG3 LYS 18 1HG LYS 18 0.890 -6.849 11.146 156 HD2 LYS 18 2HD LYS 18 -1.072 -8.015 12.133 157 HD3 LYS 18 1HD LYS 18 -1.360 -7.500 10.473 158 HE2 LYS 18 2HE LYS 18 -2.240 -9.736 10.845 159 HE3 LYS 18 1HE LYS 18 -0.910 -9.796 9.701 160 HZ1 LYS 18 3HZ LYS 18 -0.713 -10.441 12.588 161 HZ2 LYS 18 1HZ LYS 18 0.533 -10.621 11.457 162 HZ3 LYS 18 2HZ LYS 18 -0.859 -11.576 11.356 163 H VAL 19 H VAL 19 2.951 -6.581 7.173 164 HA VAL 19 HA VAL 19 3.079 -8.906 5.424 165 HB VAL 19 HB VAL 19 2.958 -7.195 3.613 166 HG11 VAL 19 1HG1 VAL 19 0.899 -8.153 4.523 167 HG12 VAL 19 2HG1 VAL 19 0.661 -6.462 4.077 168 HG13 VAL 19 3HG1 VAL 19 0.872 -6.910 5.771 169 HG21 VAL 19 3HG2 VAL 19 4.084 -5.363 4.680 170 HG22 VAL 19 1HG2 VAL 19 2.834 -5.255 5.931 171 HG23 VAL 19 2HG2 VAL 19 2.435 -4.865 4.266 172 H ASN 20 H ASN 20 4.783 -8.940 3.741 173 HA ASN 20 HA ASN 20 7.355 -8.367 4.839 174 HB2 ASN 20 2HB ASN 20 6.503 -9.392 2.129 175 HB3 ASN 20 1HB ASN 20 8.183 -9.033 2.507 176 HD21 ASN 20 1HD2 ASN 20 5.550 -11.272 2.926 177 HD22 ASN 20 2HD2 ASN 20 6.435 -12.444 3.811 178 H PHE 21 H PHE 21 8.074 -6.400 4.992 179 HA PHE 21 HA PHE 21 7.006 -4.140 3.807 180 HB2 PHE 21 2HB PHE 21 8.331 -3.899 5.800 181 HB3 PHE 21 1HB PHE 21 9.760 -4.534 4.989 182 HD1 PHE 21 1HD PHE 21 7.425 -1.663 5.080 183 HD2 PHE 21 2HD PHE 21 11.207 -3.108 3.774 184 HE1 PHE 21 1HE PHE 21 8.061 0.607 4.397 185 HE2 PHE 21 2HE PHE 21 11.844 -0.839 3.092 186 HZ PHE 21 HZ PHE 21 10.276 1.014 3.389 187 H ASN 22 H ASN 22 9.859 -5.934 2.779 188 HA ASN 22 HA ASN 22 10.584 -4.060 0.765 189 HB2 ASN 22 2HB ASN 22 11.407 -6.964 1.003 190 HB3 ASN 22 1HB ASN 22 12.133 -5.788 -0.074 191 HD21 ASN 22 1HD2 ASN 22 13.307 -7.372 2.024 192 HD22 ASN 22 2HD2 ASN 22 14.056 -6.272 3.114 193 H LEU 23 H LEU 23 8.478 -6.758 0.920 194 HA LEU 23 HA LEU 23 8.345 -7.040 -1.924 195 HB2 LEU 23 2HB LEU 23 8.038 -8.996 -0.473 196 HB3 LEU 23 1HB LEU 23 6.605 -8.264 0.213 197 HG LEU 23 HG LEU 23 5.407 -8.497 -1.885 198 HD11 LEU 23 1HD1 LEU 23 6.423 -9.605 -3.815 199 HD12 LEU 23 2HD1 LEU 23 7.974 -9.657 -2.977 200 HD13 LEU 23 3HD1 LEU 23 7.271 -8.106 -3.434 201 HD21 LEU 23 3HD2 LEU 23 6.901 -11.007 -1.183 202 HD22 LEU 23 1HD2 LEU 23 5.370 -10.918 -2.051 203 HD23 LEU 23 2HD2 LEU 23 5.462 -10.405 -0.363 204 H VAL 24 H VAL 24 6.354 -5.635 0.630 205 HA VAL 24 HA VAL 24 4.208 -4.770 -0.988 206 HB VAL 24 HB VAL 24 5.311 -3.410 1.493 207 HG11 VAL 24 1HG1 VAL 24 3.063 -2.464 1.739 208 HG12 VAL 24 2HG1 VAL 24 2.580 -3.203 0.211 209 HG13 VAL 24 3HG1 VAL 24 3.814 -1.943 0.230 210 HG21 VAL 24 3HG2 VAL 24 3.600 -4.642 2.670 211 HG22 VAL 24 1HG2 VAL 24 4.739 -5.731 1.883 212 HG23 VAL 24 2HG2 VAL 24 3.144 -5.460 1.176 213 H MET 25 H MET 25 7.199 -3.216 -0.039 214 HA MET 25 HA MET 25 6.910 -0.777 -1.332 215 HB2 MET 25 2HB MET 25 8.699 -1.277 0.249 216 HB3 MET 25 1HB MET 25 9.406 -2.427 -0.858 217 HG2 MET 25 2HG MET 25 9.891 -0.572 -2.417 218 HG3 MET 25 1HG MET 25 9.219 0.557 -1.240 219 HE1 MET 25 3HE MET 25 12.096 -2.010 -1.994 220 HE2 MET 25 1HE MET 25 11.360 -2.679 -0.538 221 HE3 MET 25 2HE MET 25 12.977 -2.005 -0.468 222 H GLN 26 H GLN 26 7.900 -3.904 -2.567 223 HA GLN 26 HA GLN 26 8.491 -2.944 -5.194 224 HB2 GLN 26 2HB GLN 26 9.586 -4.938 -4.381 225 HB3 GLN 26 1HB GLN 26 8.039 -5.759 -4.195 226 HG2 GLN 26 2HG GLN 26 7.697 -5.617 -6.625 227 HG3 GLN 26 1HG GLN 26 9.263 -4.831 -6.785 228 HE21 GLN 26 1HE2 GLN 26 10.044 -6.412 -8.103 229 HE22 GLN 26 2HE2 GLN 26 10.442 -7.986 -7.556 230 H ILE 27 H ILE 27 5.682 -4.465 -3.659 231 HA ILE 27 HA ILE 27 4.029 -4.862 -5.900 232 HB ILE 27 HB ILE 27 3.186 -3.939 -3.124 233 HG12 ILE 27 2HG1 ILE 27 4.420 -6.059 -3.007 234 HG13 ILE 27 1HG1 ILE 27 2.731 -6.299 -2.602 235 HG21 ILE 27 1HG2 ILE 27 1.493 -5.228 -5.252 236 HG22 ILE 27 2HG2 ILE 27 1.392 -3.561 -4.689 237 HG23 ILE 27 3HG2 ILE 27 0.973 -4.887 -3.604 238 HD11 ILE 27 3HD1 ILE 27 3.553 -8.113 -3.942 239 HD12 ILE 27 1HD1 ILE 27 4.062 -6.995 -5.210 240 HD13 ILE 27 2HD1 ILE 27 2.348 -7.196 -4.848 241 H LEU 28 H LEU 28 4.327 -2.106 -3.761 242 HA LEU 28 HA LEU 28 2.580 -0.331 -5.026 243 HB2 LEU 28 2HB LEU 28 5.050 0.197 -3.396 244 HB3 LEU 28 1HB LEU 28 3.799 1.374 -3.750 245 HG LEU 28 HG LEU 28 3.396 -1.140 -2.128 246 HD11 LEU 28 1HD1 LEU 28 3.264 0.363 -0.211 247 HD12 LEU 28 2HD1 LEU 28 3.689 1.719 -1.258 248 HD13 LEU 28 3HD1 LEU 28 4.843 0.415 -0.994 249 HD21 LEU 28 3HD2 LEU 28 1.254 -0.101 -1.505 250 HD22 LEU 28 1HD2 LEU 28 1.347 -0.412 -3.241 251 HD23 LEU 28 2HD2 LEU 28 1.588 1.221 -2.622 252 H ASP 29 H ASP 29 6.026 -0.857 -5.357 253 HA ASP 29 HA ASP 29 6.713 1.165 -7.225 254 HB2 ASP 29 2HB ASP 29 8.300 -0.260 -5.898 255 HB3 ASP 29 1HB ASP 29 7.810 -1.596 -6.872 256 H GLU 30 H GLU 30 5.835 -2.152 -7.613 257 HA GLU 30 HA GLU 30 6.149 -2.331 -10.399 258 HB2 GLU 30 2HB GLU 30 5.909 -4.181 -8.544 259 HB3 GLU 30 1HB GLU 30 4.202 -4.077 -8.955 260 HG2 GLU 30 2HG GLU 30 4.606 -4.761 -11.186 261 HG3 GLU 30 1HG GLU 30 6.349 -4.614 -10.969 262 H ILE 31 H ILE 31 3.235 -1.597 -8.466 263 HA ILE 31 HA ILE 31 1.601 -1.365 -10.815 264 HB ILE 31 HB ILE 31 -0.134 -0.330 -9.394 265 HG12 ILE 31 2HG1 ILE 31 1.902 -0.430 -7.155 266 HG13 ILE 31 1HG1 ILE 31 1.361 1.031 -7.963 267 HG21 ILE 31 1HG2 ILE 31 -0.030 -2.727 -9.378 268 HG22 ILE 31 2HG2 ILE 31 -0.435 -2.156 -7.752 269 HG23 ILE 31 3HG2 ILE 31 1.195 -2.696 -8.112 270 HD11 ILE 31 3HD1 ILE 31 -0.342 -0.816 -6.312 271 HD12 ILE 31 1HD1 ILE 31 -0.892 0.656 -7.114 272 HD13 ILE 31 2HD1 ILE 31 0.294 0.751 -5.810 273 H GLU 32 H GLU 32 3.480 0.826 -8.866 274 HA GLU 32 HA GLU 32 2.655 3.296 -9.829 275 HB2 GLU 32 2HB GLU 32 4.066 2.949 -7.854 276 HB3 GLU 32 1HB GLU 32 5.373 2.408 -8.889 277 HG2 GLU 32 2HG GLU 32 5.398 4.570 -9.953 278 HG3 GLU 32 1HG GLU 32 4.178 5.158 -8.808 279 H LEU 33 H LEU 33 5.378 1.285 -10.830 280 HA LEU 33 HA LEU 33 6.142 2.993 -12.944 281 HB2 LEU 33 2HB LEU 33 7.683 1.194 -13.638 282 HB3 LEU 33 1HB LEU 33 7.827 1.635 -11.955 283 HG LEU 33 HG LEU 33 6.352 -0.457 -11.518 284 HD11 LEU 33 1HD1 LEU 33 6.604 -2.267 -13.114 285 HD12 LEU 33 2HD1 LEU 33 7.381 -1.165 -14.246 286 HD13 LEU 33 3HD1 LEU 33 5.691 -0.921 -13.798 287 HD21 LEU 33 3HD2 LEU 33 9.178 -0.724 -12.478 288 HD22 LEU 33 1HD2 LEU 33 8.328 -1.895 -11.472 289 HD23 LEU 33 2HD2 LEU 33 8.663 -0.280 -10.847 290 H ASP 34 H ASP 34 3.893 0.376 -12.809 291 HA ASP 34 HA ASP 34 3.813 -0.058 -15.619 292 HB2 ASP 34 2HB ASP 34 3.000 -1.782 -14.062 293 HB3 ASP 34 1HB ASP 34 1.698 -0.709 -13.556 294 H LEU 35 H LEU 35 1.838 1.803 -13.403 295 HA LEU 35 HA LEU 35 0.189 2.952 -15.402 296 HB2 LEU 35 2HB LEU 35 -0.339 2.837 -12.939 297 HB3 LEU 35 1HB LEU 35 0.900 4.027 -12.656 298 HG LEU 35 HG LEU 35 -1.602 4.577 -14.284 299 HD11 LEU 35 1HD1 LEU 35 -1.027 5.126 -11.385 300 HD12 LEU 35 2HD1 LEU 35 -2.215 3.997 -12.056 301 HD13 LEU 35 3HD1 LEU 35 -2.416 5.730 -12.294 302 HD21 LEU 35 3HD2 LEU 35 0.362 6.475 -12.979 303 HD22 LEU 35 1HD2 LEU 35 -1.095 6.935 -13.860 304 HD23 LEU 35 2HD2 LEU 35 0.242 6.157 -14.708 305 H ARG 36 H ARG 36 2.885 4.201 -13.504 306 HA ARG 36 HA ARG 36 4.367 5.821 -13.675 307 HB2 ARG 36 2HB ARG 36 4.978 4.370 -15.700 308 HB3 ARG 36 1HB ARG 36 4.184 5.590 -16.676 309 HG2 ARG 36 2HG ARG 36 6.477 6.082 -16.780 310 HG3 ARG 36 1HG ARG 36 5.799 7.265 -15.663 311 HD2 ARG 36 2HD ARG 36 7.193 4.709 -14.818 312 HD3 ARG 36 1HD ARG 36 7.998 6.263 -14.952 313 HE ARG 36 HE ARG 36 5.955 6.759 -13.229 314 HH11 ARG 36 1HH1 ARG 36 8.541 4.317 -13.207 315 HH12 ARG 36 2HH1 ARG 36 8.644 4.251 -11.513 316 HH21 ARG 36 1HH2 ARG 36 6.120 6.650 -10.945 317 HH22 ARG 36 2HH2 ARG 36 7.203 5.589 -10.169 318 H GLY 37 H GLY 37 2.487 6.554 -16.560 319 HA2 GLY 37 2HA GLY 37 1.173 8.769 -15.254 320 HA3 GLY 37 1HA GLY 37 2.376 9.276 -16.429 321 H SER 38 H SER 38 1.054 6.371 -17.600 322 HA SER 38 HA SER 38 -0.848 7.957 -19.182 323 HB2 SER 38 2HB SER 38 1.052 5.857 -20.198 324 HB3 SER 38 1HB SER 38 -0.138 6.726 -21.164 325 HG SER 38 HG SER 38 2.249 7.404 -20.891 326 H ASP 39 H ASP 39 -0.929 5.574 -16.967 327 HA ASP 39 HA ASP 39 -3.032 4.212 -18.480 328 HB2 ASP 39 2HB ASP 39 -0.703 2.954 -18.332 329 HB3 ASP 39 1HB ASP 39 -1.292 2.531 -16.728 330 H ASN 40 H ASN 40 -3.669 2.315 -16.466 331 HA ASN 40 HA ASN 40 -4.939 4.162 -14.540 332 HB2 ASN 40 2HB ASN 40 -6.320 2.710 -16.296 333 HB3 ASN 40 1HB ASN 40 -5.894 1.441 -15.216 334 HD21 ASN 40 1HD2 ASN 40 -8.484 2.631 -15.816 335 HD22 ASN 40 2HD2 ASN 40 -9.181 3.040 -14.287 336 H ILE 41 H ILE 41 -4.808 3.641 -12.458 337 HA ILE 41 HA ILE 41 -2.718 1.961 -11.603 338 HB ILE 41 HB ILE 41 -3.297 3.938 -10.317 339 HG12 ILE 41 2HG1 ILE 41 -3.806 1.393 -8.771 340 HG13 ILE 41 1HG1 ILE 41 -2.227 2.063 -9.161 341 HG21 ILE 41 1HG2 ILE 41 -5.920 2.576 -9.780 342 HG22 ILE 41 2HG2 ILE 41 -5.665 4.062 -10.696 343 HG23 ILE 41 3HG2 ILE 41 -5.350 4.031 -8.959 344 HD11 ILE 41 3HD1 ILE 41 -4.314 3.234 -7.362 345 HD12 ILE 41 1HD1 ILE 41 -2.812 4.045 -7.837 346 HD13 ILE 41 2HD1 ILE 41 -2.746 2.533 -6.926 347 H LYS 42 H LYS 42 -6.237 1.524 -11.701 348 HA LYS 42 HA LYS 42 -6.229 -0.849 -10.168 349 HB2 LYS 42 2HB LYS 42 -8.444 -1.327 -11.094 350 HB3 LYS 42 1HB LYS 42 -8.327 0.335 -10.532 351 HG2 LYS 42 2HG LYS 42 -8.117 1.125 -12.798 352 HG3 LYS 42 1HG LYS 42 -8.058 -0.526 -13.400 353 HD2 LYS 42 2HD LYS 42 -10.398 0.687 -11.939 354 HD3 LYS 42 1HD LYS 42 -10.266 0.571 -13.697 355 HE2 LYS 42 2HE LYS 42 -10.062 -1.903 -13.450 356 HE3 LYS 42 1HE LYS 42 -10.352 -1.717 -11.726 357 HZ1 LYS 42 3HZ LYS 42 -12.349 -2.302 -12.926 358 HZ2 LYS 42 1HZ LYS 42 -12.237 -0.915 -13.869 359 HZ3 LYS 42 2HZ LYS 42 -12.527 -0.791 -12.211 360 H THR 43 H THR 43 -5.656 -0.214 -13.536 361 HA THR 43 HA THR 43 -5.799 -2.832 -14.443 362 HB THR 43 HB THR 43 -4.099 -0.587 -15.540 363 HG1 THR 43 1HG THR 43 -5.952 -0.043 -16.694 364 HG21 THR 43 3HG2 THR 43 -4.520 -1.704 -17.683 365 HG22 THR 43 1HG2 THR 43 -5.443 -2.957 -16.856 366 HG23 THR 43 2HG2 THR 43 -3.711 -2.796 -16.557 367 H SER 44 H SER 44 -3.136 -0.728 -13.339 368 HA SER 44 HA SER 44 -1.045 -2.503 -13.570 369 HB2 SER 44 2HB SER 44 -1.436 -0.259 -11.587 370 HB3 SER 44 1HB SER 44 0.107 -0.948 -12.099 371 HG SER 44 HG SER 44 -0.504 -0.315 -14.278 372 H ILE 45 H ILE 45 -3.294 -1.890 -10.894 373 HA ILE 45 HA ILE 45 -2.316 -3.525 -8.864 374 HB ILE 45 HB ILE 45 -5.198 -2.952 -9.639 375 HG12 ILE 45 2HG1 ILE 45 -3.884 -0.976 -8.927 376 HG13 ILE 45 1HG1 ILE 45 -5.222 -1.321 -7.842 377 HG21 ILE 45 1HG2 ILE 45 -5.899 -3.676 -7.409 378 HG22 ILE 45 2HG2 ILE 45 -4.254 -4.225 -7.087 379 HG23 ILE 45 3HG2 ILE 45 -5.202 -4.990 -8.361 380 HD11 ILE 45 3HD1 ILE 45 -3.222 -0.658 -6.628 381 HD12 ILE 45 1HD1 ILE 45 -2.329 -1.992 -7.350 382 HD13 ILE 45 2HD1 ILE 45 -3.662 -2.322 -6.249 383 H ILE 46 H ILE 46 -4.376 -4.359 -11.613 384 HA ILE 46 HA ILE 46 -4.998 -6.973 -10.961 385 HB ILE 46 HB ILE 46 -4.638 -5.764 -13.717 386 HG12 ILE 46 2HG1 ILE 46 -7.127 -6.244 -12.059 387 HG13 ILE 46 1HG1 ILE 46 -6.350 -4.688 -12.316 388 HG21 ILE 46 1HG2 ILE 46 -6.015 -7.631 -14.549 389 HG22 ILE 46 2HG2 ILE 46 -5.993 -8.361 -12.945 390 HG23 ILE 46 3HG2 ILE 46 -4.495 -8.204 -13.863 391 HD11 ILE 46 3HD1 ILE 46 -6.862 -4.832 -14.705 392 HD12 ILE 46 1HD1 ILE 46 -8.320 -4.942 -13.713 393 HD13 ILE 46 2HD1 ILE 46 -7.634 -6.396 -14.439 394 H TYR 47 H TYR 47 -2.240 -5.854 -12.937 395 HA TYR 47 HA TYR 47 -1.243 -8.437 -13.520 396 HB2 TYR 47 2HB TYR 47 0.507 -6.012 -13.193 397 HB3 TYR 47 1HB TYR 47 0.824 -7.444 -14.149 398 HD1 TYR 47 2HD TYR 47 -0.886 -7.876 -16.099 399 HD2 TYR 47 1HD TYR 47 -0.252 -4.182 -14.158 400 HE1 TYR 47 2HE TYR 47 -1.804 -6.697 -18.056 401 HE2 TYR 47 1HE TYR 47 -1.145 -2.985 -16.039 402 HH TYR 47 HH TYR 47 -1.469 -3.343 -18.410 403 H VAL 48 H VAL 48 -0.495 -6.188 -10.962 404 HA VAL 48 HA VAL 48 1.734 -7.637 -10.016 405 HB VAL 48 HB VAL 48 0.195 -5.392 -8.702 406 HG11 VAL 48 1HG1 VAL 48 2.229 -5.027 -7.389 407 HG12 VAL 48 2HG1 VAL 48 2.967 -6.447 -8.131 408 HG13 VAL 48 3HG1 VAL 48 1.559 -6.632 -7.083 409 HG21 VAL 48 3HG2 VAL 48 2.005 -3.982 -9.607 410 HG22 VAL 48 1HG2 VAL 48 1.064 -4.776 -10.872 411 HG23 VAL 48 2HG2 VAL 48 2.652 -5.397 -10.437 412 H TYR 49 H TYR 49 -1.598 -7.265 -8.841 413 HA TYR 49 HA TYR 49 -1.169 -8.861 -6.579 414 HB2 TYR 49 2HB TYR 49 -3.698 -8.069 -8.007 415 HB3 TYR 49 1HB TYR 49 -3.716 -9.174 -6.638 416 HD1 TYR 49 2HD TYR 49 -1.275 -6.454 -6.628 417 HD2 TYR 49 1HD TYR 49 -5.184 -7.616 -5.452 418 HE1 TYR 49 2HE TYR 49 -1.372 -4.535 -5.073 419 HE2 TYR 49 1HE TYR 49 -5.292 -5.716 -3.891 420 HH TYR 49 HH TYR 49 -3.907 -4.203 -2.737 421 H SER 50 H SER 50 -2.155 -9.636 -9.846 422 HA SER 50 HA SER 50 -2.830 -12.327 -9.251 423 HB2 SER 50 2HB SER 50 -3.029 -12.555 -11.722 424 HB3 SER 50 1HB SER 50 -3.821 -11.097 -11.096 425 HG SER 50 HG SER 50 -2.401 -9.867 -11.952 426 H SER 51 H SER 51 0.112 -10.706 -9.906 427 HA SER 51 HA SER 51 1.496 -13.134 -10.663 428 HB2 SER 51 2HB SER 51 1.915 -10.991 -11.846 429 HB3 SER 51 1HB SER 51 2.516 -10.303 -10.345 430 HG SER 51 HG SER 51 4.236 -10.957 -11.485 431 H HIS 52 H HIS 52 0.861 -11.297 -7.825 432 HA HIS 52 HA HIS 52 3.019 -12.714 -6.392 433 HB2 HIS 52 2HB HIS 52 1.977 -9.919 -5.813 434 HB3 HIS 52 1HB HIS 52 3.170 -10.768 -4.849 435 HD1 HIS 52 1HD HIS 52 5.615 -10.594 -5.628 436 HD2 HIS 52 2HD HIS 52 2.917 -9.032 -8.370 437 HE1 HIS 52 1HE HIS 52 6.987 -9.271 -7.261 438 HE2 HIS 52 2HE HIS 52 5.283 -8.196 -8.804 439 H LEU 53 H LEU 53 0.508 -13.772 -6.754 440 HA LEU 53 HA LEU 53 -1.613 -13.146 -5.122 441 HB2 LEU 53 2HB LEU 53 -0.715 -15.840 -6.094 442 HB3 LEU 53 1HB LEU 53 -2.245 -15.556 -5.295 443 HG LEU 53 HG LEU 53 -1.423 -14.210 -7.851 444 HD11 LEU 53 1HD1 LEU 53 -2.942 -15.812 -8.949 445 HD12 LEU 53 2HD1 LEU 53 -3.172 -16.638 -7.408 446 HD13 LEU 53 3HD1 LEU 53 -1.585 -16.628 -8.177 447 HD21 LEU 53 3HD2 LEU 53 -4.077 -14.465 -6.429 448 HD22 LEU 53 1HD2 LEU 53 -3.852 -13.761 -8.030 449 HD23 LEU 53 2HD2 LEU 53 -3.124 -12.991 -6.622 450 H ASP 54 H ASP 54 1.201 -15.013 -4.234 451 HA ASP 54 HA ASP 54 0.204 -16.309 -1.949 452 HB2 ASP 54 2HB ASP 54 3.028 -15.357 -2.436 453 HB3 ASP 54 1HB ASP 54 2.549 -16.379 -1.095 454 H GLU 55 H GLU 55 1.933 -13.208 -2.095 455 HA GLU 55 HA GLU 55 1.643 -12.717 0.715 456 HB2 GLU 55 2HB GLU 55 3.404 -11.772 -0.906 457 HB3 GLU 55 1HB GLU 55 2.156 -10.660 -1.434 458 HG2 GLU 55 2HG GLU 55 3.549 -9.527 0.120 459 HG3 GLU 55 1HG GLU 55 2.013 -9.823 0.918 460 H ILE 56 H ILE 56 -0.074 -11.877 -2.218 461 HA ILE 56 HA ILE 56 -1.743 -9.840 -1.215 462 HB ILE 56 HB ILE 56 -2.361 -11.727 -3.500 463 HG12 ILE 56 2HG1 ILE 56 -0.293 -10.596 -4.055 464 HG13 ILE 56 1HG1 ILE 56 -1.602 -9.862 -4.965 465 HG21 ILE 56 1HG2 ILE 56 -3.869 -9.974 -4.327 466 HG22 ILE 56 2HG2 ILE 56 -3.550 -9.035 -2.871 467 HG23 ILE 56 3HG2 ILE 56 -4.357 -10.597 -2.748 468 HD11 ILE 56 3HD1 ILE 56 -0.057 -8.196 -4.149 469 HD12 ILE 56 1HD1 ILE 56 -0.360 -8.710 -2.490 470 HD13 ILE 56 2HD1 ILE 56 -1.658 -7.990 -3.438 471 H ARG 57 H ARG 57 -2.352 -13.320 -1.583 472 HA ARG 57 HA ARG 57 -5.033 -13.071 -0.559 473 HB2 ARG 57 2HB ARG 57 -3.391 -15.563 -1.045 474 HB3 ARG 57 1HB ARG 57 -5.124 -15.514 -0.760 475 HG2 ARG 57 2HG ARG 57 -5.459 -14.284 -2.828 476 HG3 ARG 57 1HG ARG 57 -3.717 -14.242 -3.097 477 HD2 ARG 57 2HD ARG 57 -4.620 -15.985 -4.455 478 HD3 ARG 57 1HD ARG 57 -3.743 -16.730 -3.122 479 HE ARG 57 HE ARG 57 -6.473 -16.415 -2.486 480 HH11 ARG 57 1HH1 ARG 57 -4.228 -18.495 -4.284 481 HH12 ARG 57 2HH1 ARG 57 -5.306 -19.797 -4.418 482 HH21 ARG 57 1HH2 ARG 57 -7.969 -18.242 -2.643 483 HH22 ARG 57 2HH2 ARG 57 -7.467 -19.646 -3.474 484 H LYS 58 H LYS 58 -1.924 -13.715 0.784 485 HA LYS 58 HA LYS 58 -2.736 -14.965 3.204 486 HB2 LYS 58 2HB LYS 58 -0.497 -15.185 2.316 487 HB3 LYS 58 1HB LYS 58 -0.272 -13.452 2.361 488 HG2 LYS 58 2HG LYS 58 -0.383 -13.529 4.815 489 HG3 LYS 58 1HG LYS 58 -0.518 -15.292 4.725 490 HD2 LYS 58 2HD LYS 58 1.608 -15.430 3.600 491 HD3 LYS 58 1HD LYS 58 1.747 -13.676 3.554 492 HE2 LYS 58 2HE LYS 58 1.783 -13.640 6.016 493 HE3 LYS 58 1HE LYS 58 1.664 -15.398 6.034 494 HZ1 LYS 58 3HZ LYS 58 3.943 -14.603 6.307 495 HZ2 LYS 58 1HZ LYS 58 3.855 -13.838 4.814 496 HZ3 LYS 58 2HZ LYS 58 3.790 -15.515 4.895 497 H ASN 59 H ASN 59 -1.977 -11.712 2.184 498 HA ASN 59 HA ASN 59 -2.927 -10.637 4.744 499 HB2 ASN 59 2HB ASN 59 -0.867 -9.581 2.790 500 HB3 ASN 59 1HB ASN 59 -1.431 -8.712 4.208 501 HD21 ASN 59 1HD2 ASN 59 1.214 -10.073 3.317 502 HD22 ASN 59 2HD2 ASN 59 1.670 -10.951 4.711 503 H LYS 60 H LYS 60 -4.741 -11.312 2.958 504 HA LYS 60 HA LYS 60 -5.261 -9.598 0.811 505 HB2 LYS 60 2HB LYS 60 -7.427 -10.589 0.613 506 HB3 LYS 60 1HB LYS 60 -6.280 -11.846 1.045 507 HG2 LYS 60 2HG LYS 60 -7.074 -11.764 3.355 508 HG3 LYS 60 1HG LYS 60 -8.215 -10.495 2.908 509 HD2 LYS 60 2HD LYS 60 -9.205 -12.082 1.245 510 HD3 LYS 60 1HD LYS 60 -8.164 -13.336 1.908 511 HE2 LYS 60 2HE LYS 60 -10.353 -13.511 2.913 512 HE3 LYS 60 1HE LYS 60 -9.199 -12.971 4.129 513 HZ1 LYS 60 3HZ LYS 60 -11.297 -11.743 4.205 514 HZ2 LYS 60 1HZ LYS 60 -11.065 -11.207 2.636 515 HZ3 LYS 60 2HZ LYS 60 -10.039 -10.693 3.875 516 H GLU 61 H GLU 61 -6.152 -9.285 4.185 517 HA GLU 61 HA GLU 61 -8.134 -7.330 3.871 518 HB2 GLU 61 2HB GLU 61 -6.207 -7.795 6.143 519 HB3 GLU 61 1HB GLU 61 -7.666 -6.813 6.192 520 HG2 GLU 61 2HG GLU 61 -7.621 -9.777 5.644 521 HG3 GLU 61 1HG GLU 61 -7.946 -9.054 7.220 522 H PHE 62 H PHE 62 -4.671 -7.216 4.294 523 HA PHE 62 HA PHE 62 -4.376 -4.406 4.462 524 HB2 PHE 62 2HB PHE 62 -2.613 -5.908 5.254 525 HB3 PHE 62 1HB PHE 62 -2.441 -6.579 3.648 526 HD1 PHE 62 2HD PHE 62 -2.077 -3.419 5.543 527 HD2 PHE 62 1HD PHE 62 -0.913 -5.683 2.140 528 HE1 PHE 62 2HE PHE 62 -0.368 -1.743 5.010 529 HE2 PHE 62 1HE PHE 62 0.801 -4.012 1.602 530 HZ PHE 62 HZ PHE 62 1.075 -2.035 3.039 531 H TYR 63 H TYR 63 -3.935 -6.730 1.840 532 HA TYR 63 HA TYR 63 -3.270 -4.749 -0.027 533 HB2 TYR 63 2HB TYR 63 -3.877 -7.656 -0.347 534 HB3 TYR 63 1HB TYR 63 -3.581 -6.609 -1.738 535 HD1 TYR 63 2HD TYR 63 -1.441 -5.315 -1.837 536 HD2 TYR 63 1HD TYR 63 -2.050 -8.463 0.943 537 HE1 TYR 63 2HE TYR 63 0.985 -5.466 -1.497 538 HE2 TYR 63 1HE TYR 63 0.375 -8.620 1.299 539 HH TYR 63 HH TYR 63 2.430 -8.065 0.148 540 H ASP 64 H ASP 64 -6.331 -6.082 0.868 541 HA ASP 64 HA ASP 64 -7.661 -5.041 -1.427 542 HB2 ASP 64 2HB ASP 64 -8.685 -6.854 -0.169 543 HB3 ASP 64 1HB ASP 64 -8.757 -5.842 1.268 544 H MET 65 H MET 65 -7.185 -3.911 1.900 545 HA MET 65 HA MET 65 -8.673 -1.559 1.547 546 HB2 MET 65 2HB MET 65 -6.550 -2.235 3.576 547 HB3 MET 65 1HB MET 65 -7.450 -0.721 3.594 548 HG2 MET 65 2HG MET 65 -9.545 -2.058 3.735 549 HG3 MET 65 1HG MET 65 -8.548 -3.493 3.855 550 HE1 MET 65 3HE MET 65 -6.169 -2.717 5.697 551 HE2 MET 65 1HE MET 65 -7.113 -4.175 5.979 552 HE3 MET 65 2HE MET 65 -6.774 -3.073 7.315 553 H ILE 66 H ILE 66 -5.167 -2.156 1.231 554 HA ILE 66 HA ILE 66 -4.676 0.545 0.681 555 HB ILE 66 HB ILE 66 -2.508 -0.054 -0.324 556 HG12 ILE 66 2HG1 ILE 66 -3.169 -2.895 0.313 557 HG13 ILE 66 1HG1 ILE 66 -3.314 -2.259 -1.323 558 HG21 ILE 66 1HG2 ILE 66 -2.640 0.245 2.052 559 HG22 ILE 66 2HG2 ILE 66 -1.493 -1.042 1.675 560 HG23 ILE 66 3HG2 ILE 66 -3.103 -1.443 2.270 561 HD11 ILE 66 3HD1 ILE 66 -0.922 -1.690 -1.260 562 HD12 ILE 66 1HD1 ILE 66 -1.205 -3.421 -1.060 563 HD13 ILE 66 2HD1 ILE 66 -0.805 -2.421 0.342 564 H ALA 67 H ALA 67 -5.468 -2.107 -1.538 565 HA ALA 67 HA ALA 67 -4.965 -0.815 -3.956 566 HB1 ALA 67 1HB ALA 67 -6.591 -2.326 -4.966 567 HB2 ALA 67 2HB ALA 67 -7.242 -2.714 -3.372 568 HB3 ALA 67 3HB ALA 67 -5.594 -3.181 -3.791 569 H GLU 68 H GLU 68 -7.678 -0.545 -1.841 570 HA GLU 68 HA GLU 68 -9.368 1.021 -3.510 571 HB2 GLU 68 2HB GLU 68 -10.198 -0.314 -1.715 572 HB3 GLU 68 1HB GLU 68 -9.231 0.551 -0.528 573 HG2 GLU 68 2HG GLU 68 -11.497 1.251 -0.327 574 HG3 GLU 68 1HG GLU 68 -10.581 2.573 -1.033 575 H ILE 69 H ILE 69 -7.353 1.780 -0.692 576 HA ILE 69 HA ILE 69 -7.649 4.569 -0.706 577 HB ILE 69 HB ILE 69 -5.356 2.899 0.367 578 HG12 ILE 69 2HG1 ILE 69 -7.802 3.994 1.764 579 HG13 ILE 69 1HG1 ILE 69 -7.595 2.323 1.247 580 HG21 ILE 69 1HG2 ILE 69 -4.696 5.255 0.151 581 HG22 ILE 69 2HG2 ILE 69 -4.882 4.805 1.846 582 HG23 ILE 69 3HG2 ILE 69 -6.137 5.745 1.044 583 HD11 ILE 69 3HD1 ILE 69 -5.691 2.106 2.736 584 HD12 ILE 69 1HD1 ILE 69 -7.149 2.567 3.613 585 HD13 ILE 69 2HD1 ILE 69 -5.913 3.776 3.264 586 H LEU 70 H LEU 70 -5.216 2.496 -2.220 587 HA LEU 70 HA LEU 70 -3.464 4.407 -3.160 588 HB2 LEU 70 2HB LEU 70 -4.250 1.771 -4.405 589 HB3 LEU 70 1HB LEU 70 -2.926 2.772 -4.966 590 HG LEU 70 HG LEU 70 -3.061 1.573 -2.198 591 HD11 LEU 70 1HD1 LEU 70 -1.398 -0.029 -3.011 592 HD12 LEU 70 2HD1 LEU 70 -1.580 0.615 -4.643 593 HD13 LEU 70 3HD1 LEU 70 -2.934 -0.195 -3.858 594 HD21 LEU 70 3HD2 LEU 70 -1.656 3.555 -2.347 595 HD22 LEU 70 1HD2 LEU 70 -0.811 2.868 -3.735 596 HD23 LEU 70 2HD2 LEU 70 -0.668 2.107 -2.153 597 H GLN 71 H GLN 71 -6.404 3.174 -4.752 598 HA GLN 71 HA GLN 71 -6.020 4.782 -7.082 599 HB2 GLN 71 2HB GLN 71 -8.643 3.698 -6.054 600 HB3 GLN 71 1HB GLN 71 -8.297 4.205 -7.696 601 HG2 GLN 71 2HG GLN 71 -6.670 2.358 -7.870 602 HG3 GLN 71 1HG GLN 71 -7.138 1.824 -6.264 603 HE21 GLN 71 1HE2 GLN 71 -8.013 -0.079 -6.795 604 HE22 GLN 71 2HE2 GLN 71 -9.418 -0.275 -7.783 605 H ARG 72 H ARG 72 -7.849 5.200 -4.069 606 HA ARG 72 HA ARG 72 -9.280 7.467 -4.654 607 HB2 ARG 72 2HB ARG 72 -9.647 5.888 -2.831 608 HB3 ARG 72 1HB ARG 72 -8.110 6.334 -2.128 609 HG2 ARG 72 2HG ARG 72 -8.946 8.500 -1.581 610 HG3 ARG 72 1HG ARG 72 -10.472 8.159 -2.421 611 HD2 ARG 72 2HD ARG 72 -9.386 6.602 -0.077 612 HD3 ARG 72 1HD ARG 72 -10.605 7.871 -0.012 613 HE ARG 72 HE ARG 72 -11.691 6.167 -1.771 614 HH11 ARG 72 1HH1 ARG 72 -10.411 5.548 1.541 615 HH12 ARG 72 2HH1 ARG 72 -11.419 4.194 1.753 616 HH21 ARG 72 1HH2 ARG 72 -13.092 4.345 -1.306 617 HH22 ARG 72 2HH2 ARG 72 -12.925 3.544 0.203 618 H TYR 73 H TYR 73 -6.074 7.033 -3.185 619 HA TYR 73 HA TYR 73 -5.736 9.879 -3.105 620 HB2 TYR 73 2HB TYR 73 -4.213 7.621 -1.943 621 HB3 TYR 73 1HB TYR 73 -3.434 9.189 -2.137 622 HD1 TYR 73 2HD TYR 73 -6.257 7.450 -0.515 623 HD2 TYR 73 1HD TYR 73 -3.938 10.992 -0.763 624 HE1 TYR 73 2HE TYR 73 -7.297 8.272 1.543 625 HE2 TYR 73 1HE TYR 73 -4.968 11.827 1.284 626 HH TYR 73 HH TYR 73 -6.882 11.554 2.567 627 H TYR 74 H TYR 74 -4.901 7.439 -5.338 628 HA TYR 74 HA TYR 74 -2.623 8.744 -6.374 629 HB2 TYR 74 2HB TYR 74 -2.526 6.875 -7.651 630 HB3 TYR 74 1HB TYR 74 -4.084 6.386 -7.022 631 HD1 TYR 74 1HD TYR 74 -2.338 7.992 -9.856 632 HD2 TYR 74 2HD TYR 74 -6.065 6.559 -8.388 633 HE1 TYR 74 1HE TYR 74 -3.286 8.128 -12.124 634 HE2 TYR 74 2HE TYR 74 -7.015 6.694 -10.639 635 HH TYR 74 HH TYR 74 -5.037 7.318 -13.419 636 H LYS 75 H LYS 75 -6.004 9.215 -6.723 637 HA LYS 75 HA LYS 75 -5.804 11.111 -8.873 638 HB2 LYS 75 2HB LYS 75 -8.029 10.640 -6.893 639 HB3 LYS 75 1HB LYS 75 -8.161 11.580 -8.368 640 HG2 LYS 75 2HG LYS 75 -7.722 9.554 -9.685 641 HG3 LYS 75 1HG LYS 75 -7.630 8.622 -8.193 642 HD2 LYS 75 2HD LYS 75 -10.034 10.177 -9.136 643 HD3 LYS 75 1HD LYS 75 -9.835 8.433 -9.301 644 HE2 LYS 75 2HE LYS 75 -9.759 8.223 -6.851 645 HE3 LYS 75 1HE LYS 75 -9.943 9.968 -6.693 646 HZ1 LYS 75 3HZ LYS 75 -11.935 8.123 -7.899 647 HZ2 LYS 75 1HZ LYS 75 -12.101 9.797 -7.760 648 HZ3 LYS 75 2HZ LYS 75 -12.038 8.841 -6.382 649 H LYS 76 H LYS 76 -5.572 11.189 -5.438 650 HA LYS 76 HA LYS 76 -6.103 14.042 -5.270 651 HB2 LYS 76 2HB LYS 76 -7.110 12.560 -3.614 652 HB3 LYS 76 1HB LYS 76 -5.522 12.011 -3.115 653 HG2 LYS 76 2HG LYS 76 -4.996 14.250 -2.283 654 HG3 LYS 76 1HG LYS 76 -6.576 14.815 -2.816 655 HD2 LYS 76 2HD LYS 76 -6.180 12.594 -0.802 656 HD3 LYS 76 1HD LYS 76 -6.409 14.282 -0.359 657 HE2 LYS 76 2HE LYS 76 -8.602 14.274 -1.451 658 HE3 LYS 76 1HE LYS 76 -8.367 12.592 -1.923 659 HZ1 LYS 76 3HZ LYS 76 -8.277 13.430 0.914 660 HZ2 LYS 76 1HZ LYS 76 -8.521 11.891 0.317 661 HZ3 LYS 76 2HZ LYS 76 -9.742 13.030 0.179 662 H ILE 77 H ILE 77 -3.365 11.877 -4.422 663 HA ILE 77 HA ILE 77 -1.665 14.288 -4.473 664 HB ILE 77 HB ILE 77 -0.176 13.238 -2.778 665 HG12 ILE 77 2HG1 ILE 77 -2.443 11.249 -2.464 666 HG13 ILE 77 1HG1 ILE 77 -0.857 10.892 -3.129 667 HG21 ILE 77 1HG2 ILE 77 -3.017 13.693 -1.887 668 HG22 ILE 77 2HG2 ILE 77 -1.789 14.935 -2.117 669 HG23 ILE 77 3HG2 ILE 77 -1.597 13.728 -0.845 670 HD11 ILE 77 3HD1 ILE 77 0.160 11.393 -0.964 671 HD12 ILE 77 1HD1 ILE 77 -1.053 10.118 -0.837 672 HD13 ILE 77 2HD1 ILE 77 -1.435 11.757 -0.306 673 H GLY 78 H GLY 78 -2.047 11.095 -5.611 674 HA2 GLY 78 2HA GLY 78 -0.903 10.582 -7.707 675 HA3 GLY 78 1HA GLY 78 0.517 11.399 -7.051 676 H ILE 79 H ILE 79 0.040 8.629 -8.039 677 HA ILE 79 HA ILE 79 -0.193 6.837 -5.913 678 HB ILE 79 HB ILE 79 -0.621 6.076 -8.173 679 HG12 ILE 79 2HG1 ILE 79 0.669 3.955 -8.235 680 HG13 ILE 79 1HG1 ILE 79 1.761 4.612 -7.023 681 HG21 ILE 79 1HG2 ILE 79 0.922 7.411 -9.430 682 HG22 ILE 79 2HG2 ILE 79 1.145 5.708 -9.832 683 HG23 ILE 79 3HG2 ILE 79 2.289 6.520 -8.764 684 HD11 ILE 79 3HD1 ILE 79 -1.179 4.125 -6.626 685 HD12 ILE 79 1HD1 ILE 79 -0.043 4.706 -5.412 686 HD13 ILE 79 2HD1 ILE 79 0.122 3.076 -6.065 687 H GLU 80 H GLU 80 2.696 8.298 -7.299 688 HA GLU 80 HA GLU 80 4.686 6.765 -6.098 689 HB2 GLU 80 2HB GLU 80 4.739 9.740 -6.598 690 HB3 GLU 80 1HB GLU 80 6.132 8.701 -6.419 691 HG2 GLU 80 2HG GLU 80 6.076 8.926 -8.710 692 HG3 GLU 80 1HG GLU 80 5.063 7.501 -8.526 693 H ASN 81 H ASN 81 2.950 9.514 -5.037 694 HA ASN 81 HA ASN 81 4.286 9.880 -2.551 695 HB2 ASN 81 2HB ASN 81 1.742 10.990 -3.677 696 HB3 ASN 81 1HB ASN 81 2.176 11.344 -2.020 697 HD21 ASN 81 1HD2 ASN 81 2.744 12.032 -5.351 698 HD22 ASN 81 2HD2 ASN 81 3.929 13.250 -5.101 699 H VAL 82 H VAL 82 1.279 8.302 -3.482 700 HA VAL 82 HA VAL 82 0.392 7.759 -0.848 701 HB VAL 82 HB VAL 82 -0.211 5.989 -3.214 702 HG11 VAL 82 1HG1 VAL 82 -0.978 5.153 -1.071 703 HG12 VAL 82 2HG1 VAL 82 -2.366 5.663 -2.042 704 HG13 VAL 82 3HG1 VAL 82 -1.780 6.686 -0.738 705 HG21 VAL 82 3HG2 VAL 82 -2.167 7.443 -3.647 706 HG22 VAL 82 1HG2 VAL 82 -0.619 8.243 -3.942 707 HG23 VAL 82 2HG2 VAL 82 -1.512 8.585 -2.467 708 H ASN 83 H ASN 83 2.223 5.827 -3.167 709 HA ASN 83 HA ASN 83 2.507 3.447 -1.801 710 HB2 ASN 83 2HB ASN 83 4.499 4.870 -3.573 711 HB3 ASN 83 1HB ASN 83 4.708 3.217 -3.016 712 HD21 ASN 83 1HD2 ASN 83 4.455 4.228 -5.769 713 HD22 ASN 83 2HD2 ASN 83 3.083 3.390 -6.377 714 H GLN 84 H GLN 84 4.501 6.294 -1.617 715 HA GLN 84 HA GLN 84 6.425 5.407 0.241 716 HB2 GLN 84 2HB GLN 84 6.672 7.408 -1.146 717 HB3 GLN 84 1HB GLN 84 5.376 8.178 -0.238 718 HG2 GLN 84 2HG GLN 84 7.518 8.965 0.590 719 HG3 GLN 84 1HG GLN 84 6.652 7.939 1.760 720 HE21 GLN 84 1HE2 GLN 84 7.473 6.110 2.465 721 HE22 GLN 84 2HE2 GLN 84 9.038 5.545 2.048 722 H LEU 85 H LEU 85 3.327 6.944 0.690 723 HA LEU 85 HA LEU 85 3.689 7.236 3.504 724 HB2 LEU 85 2HB LEU 85 1.161 7.456 1.889 725 HB3 LEU 85 1HB LEU 85 1.391 8.025 3.534 726 HG LEU 85 HG LEU 85 2.720 9.082 1.052 727 HD11 LEU 85 1HD1 LEU 85 0.745 10.344 2.919 728 HD12 LEU 85 2HD1 LEU 85 0.447 9.789 1.268 729 HD13 LEU 85 3HD1 LEU 85 1.543 11.139 1.561 730 HD21 LEU 85 3HD2 LEU 85 4.334 9.142 2.855 731 HD22 LEU 85 1HD2 LEU 85 3.154 9.892 3.934 732 HD23 LEU 85 2HD2 LEU 85 3.757 10.773 2.528 733 H ILE 86 H ILE 86 2.199 4.843 1.446 734 HA ILE 86 HA ILE 86 0.941 3.341 3.474 735 HB ILE 86 HB ILE 86 2.158 2.369 0.859 736 HG12 ILE 86 2HG1 ILE 86 0.378 3.990 0.476 737 HG13 ILE 86 1HG1 ILE 86 -0.160 2.387 0.004 738 HG21 ILE 86 1HG2 ILE 86 0.234 0.917 2.673 739 HG22 ILE 86 2HG2 ILE 86 1.919 0.493 2.381 740 HG23 ILE 86 3HG2 ILE 86 0.739 0.374 1.073 741 HD11 ILE 86 3HD1 ILE 86 -1.935 3.578 1.132 742 HD12 ILE 86 1HD1 ILE 86 -0.905 3.844 2.538 743 HD13 ILE 86 2HD1 ILE 86 -1.417 2.212 2.117 744 H LEU 87 H LEU 87 4.218 3.401 2.234 745 HA LEU 87 HA LEU 87 5.255 1.275 3.747 746 HB2 LEU 87 2HB LEU 87 6.649 3.766 2.767 747 HB3 LEU 87 1HB LEU 87 7.466 2.342 3.370 748 HG LEU 87 HG LEU 87 5.784 2.518 0.873 749 HD11 LEU 87 1HD1 LEU 87 8.738 2.114 1.257 750 HD12 LEU 87 2HD1 LEU 87 7.954 3.574 0.634 751 HD13 LEU 87 3HD1 LEU 87 7.871 2.062 -0.275 752 HD21 LEU 87 3HD2 LEU 87 6.535 0.228 0.457 753 HD22 LEU 87 1HD2 LEU 87 5.514 0.353 1.894 754 HD23 LEU 87 2HD2 LEU 87 7.266 0.196 2.065 755 H THR 88 H THR 88 4.873 4.697 4.471 756 HA THR 88 HA THR 88 6.150 4.722 6.990 757 HB THR 88 HB THR 88 3.847 6.483 6.093 758 HG1 THR 88 1HG THR 88 6.352 6.165 5.087 759 HG21 THR 88 3HG2 THR 88 6.213 7.013 7.913 760 HG22 THR 88 1HG2 THR 88 4.551 6.763 8.448 761 HG23 THR 88 2HG2 THR 88 4.965 8.181 7.485 762 H THR 89 H THR 89 2.953 3.892 5.921 763 HA THR 89 HA THR 89 1.555 3.935 8.350 764 HB THR 89 HB THR 89 1.063 2.321 5.842 765 HG1 THR 89 1HG THR 89 1.174 4.649 5.549 766 HG21 THR 89 3HG2 THR 89 -0.835 3.165 8.036 767 HG22 THR 89 1HG2 THR 89 -0.265 1.521 7.746 768 HG23 THR 89 2HG2 THR 89 -1.278 2.327 6.549 769 H ILE 90 H ILE 90 3.106 1.299 6.549 770 HA ILE 90 HA ILE 90 2.546 -0.589 8.637 771 HB ILE 90 HB ILE 90 3.884 -2.207 7.283 772 HG12 ILE 90 2HG1 ILE 90 4.010 0.018 5.219 773 HG13 ILE 90 1HG1 ILE 90 5.377 -0.488 6.201 774 HG21 ILE 90 1HG2 ILE 90 1.697 -0.719 5.862 775 HG22 ILE 90 2HG2 ILE 90 1.495 -2.034 7.022 776 HG23 ILE 90 3HG2 ILE 90 2.245 -2.345 5.456 777 HD11 ILE 90 3HD1 ILE 90 3.909 -2.204 4.202 778 HD12 ILE 90 1HD1 ILE 90 5.301 -2.691 5.178 779 HD13 ILE 90 2HD1 ILE 90 5.479 -1.421 3.971 780 H LYS 91 H LYS 91 5.412 1.073 7.429 781 HA LYS 91 HA LYS 91 6.900 0.043 9.730 782 HB2 LYS 91 2HB LYS 91 7.729 -0.519 7.434 783 HB3 LYS 91 1HB LYS 91 7.991 1.206 7.196 784 HG2 LYS 91 2HG LYS 91 9.467 1.246 9.123 785 HG3 LYS 91 1HG LYS 91 9.231 -0.488 9.337 786 HD2 LYS 91 2HD LYS 91 10.172 -0.904 7.165 787 HD3 LYS 91 1HD LYS 91 10.358 0.826 6.889 788 HE2 LYS 91 2HE LYS 91 12.502 0.106 7.650 789 HE3 LYS 91 1HE LYS 91 11.622 0.909 8.973 790 HZ1 LYS 91 3HZ LYS 91 11.368 -1.007 10.154 791 HZ2 LYS 91 1HZ LYS 91 12.864 -1.230 9.452 792 HZ3 LYS 91 2HZ LYS 91 11.540 -2.020 8.784 793 H LEU 92 H LEU 92 5.482 1.666 10.721 794 HA LEU 92 HA LEU 92 6.335 4.395 10.597 795 HB2 LEU 92 2HB LEU 92 4.150 3.458 11.608 796 HB3 LEU 92 1HB LEU 92 5.108 2.920 12.961 797 HG LEU 92 HG LEU 92 3.792 4.958 13.431 798 HD11 LEU 92 1HD1 LEU 92 5.768 4.602 14.745 799 HD12 LEU 92 2HD1 LEU 92 5.546 6.326 14.429 800 HD13 LEU 92 3HD1 LEU 92 6.756 5.411 13.530 801 HD21 LEU 92 3HD2 LEU 92 4.403 7.092 12.437 802 HD22 LEU 92 1HD2 LEU 92 3.832 5.959 11.216 803 HD23 LEU 92 2HD2 LEU 92 5.559 6.286 11.381 804 H GLU 93 H GLU 93 7.168 1.508 12.168 805 HA GLU 93 HA GLU 93 8.905 0.648 13.190 806 HB2 GLU 93 2HB GLU 93 10.187 1.668 11.323 807 HB3 GLU 93 1HB GLU 93 10.471 3.084 12.325 808 HG2 GLU 93 2HG GLU 93 12.404 1.598 12.318 809 HG3 GLU 93 1HG GLU 93 11.690 1.708 13.928 810 H HIS 94 H HIS 94 8.235 0.562 15.131 811 HA HIS 94 HA HIS 94 9.195 2.610 16.980 812 HB2 HIS 94 2HB HIS 94 6.613 2.347 16.757 813 HB3 HIS 94 1HB HIS 94 6.833 0.747 17.445 814 HD1 HIS 94 1HD HIS 94 6.325 4.243 18.339 815 HD2 HIS 94 2HD HIS 94 7.843 0.853 20.203 816 HE1 HIS 94 1HE HIS 94 6.358 4.778 20.767 817 HE2 HIS 94 2HE HIS 94 7.014 2.648 21.876 818 H HIS 95 H HIS 95 11.110 1.546 17.057 819 HA HIS 95 HA HIS 95 11.520 -1.105 16.689 820 HB2 HIS 95 2HB HIS 95 13.800 -0.876 17.357 821 HB3 HIS 95 1HB HIS 95 13.317 0.567 16.500 822 HD1 HIS 95 1HD HIS 95 15.132 -0.485 19.365 823 HD2 HIS 95 2HD HIS 95 12.727 2.781 18.507 824 HE1 HIS 95 1HE HIS 95 15.732 1.249 21.059 825 HE2 HIS 95 2HE HIS 95 14.594 3.303 20.168 826 H HIS 96 H HIS 96 11.137 -2.823 17.613 827 HA HIS 96 HA HIS 96 10.335 -3.071 20.351 828 HB2 HIS 96 2HB HIS 96 9.371 -4.495 18.573 829 HB3 HIS 96 1HB HIS 96 10.960 -5.130 18.199 830 HD1 HIS 96 1HD HIS 96 8.037 -5.637 20.425 831 HD2 HIS 96 2HD HIS 96 11.944 -7.029 20.138 832 HE1 HIS 96 1HE HIS 96 8.129 -7.677 21.848 833 HE2 HIS 96 2HE HIS 96 10.536 -8.344 21.856 834 H HIS 97 H HIS 97 11.724 -3.258 21.986 835 HA HIS 97 HA HIS 97 14.521 -3.431 21.446 836 HB2 HIS 97 2HB HIS 97 14.893 -3.173 23.896 837 HB3 HIS 97 1HB HIS 97 13.859 -1.925 23.236 838 HD1 HIS 97 1HD HIS 97 11.445 -1.830 24.139 839 HD2 HIS 97 2HD HIS 97 13.703 -4.900 25.772 840 HE1 HIS 97 1HE HIS 97 10.167 -2.611 26.149 841 HE2 HIS 97 2HE HIS 97 11.534 -4.465 27.118 842 H HIS 98 H HIS 98 15.697 -5.067 21.236 843 HA HIS 98 HA HIS 98 16.605 -7.084 21.272 844 HB2 HIS 98 2HB HIS 98 16.657 -6.924 23.722 845 HB3 HIS 98 1HB HIS 98 15.018 -7.553 23.811 846 HD1 HIS 98 1HD HIS 98 18.544 -8.679 22.899 847 HD2 HIS 98 2HD HIS 98 14.842 -10.312 23.878 848 HE1 HIS 98 1HE HIS 98 18.929 -11.133 23.141 849 HE2 HIS 98 2HE HIS 98 16.683 -12.113 23.698 850 H HIS 99 H HIS 99 16.091 -8.090 19.567 851 HA HIS 99 HA HIS 99 13.495 -9.321 19.172 852 HB2 HIS 99 2HB HIS 99 14.527 -8.148 17.261 853 HB3 HIS 99 1HB HIS 99 15.970 -9.131 17.411 854 HD1 HIS 99 1HD HIS 99 16.050 -11.183 15.982 855 HD2 HIS 99 2HD HIS 99 12.173 -9.727 16.373 856 HE1 HIS 99 1HE HIS 99 14.678 -12.479 14.337 857 HE2 HIS 99 2HE HIS 99 12.397 -11.479 14.452 Start of MODEL 20 1 H1 MET 1 1HT MET 1 1.714 14.957 8.847 2 H2 MET 1 2HT MET 1 3.259 14.423 8.524 3 H3 MET 1 3HT MET 1 2.830 14.850 10.115 4 HA MET 1 HA MET 1 2.904 12.441 9.793 5 HB2 MET 1 2HB MET 1 0.123 13.618 10.113 6 HB3 MET 1 1HB MET 1 0.458 11.915 10.323 7 HG2 MET 1 2HG MET 1 0.305 12.981 12.461 8 HG3 MET 1 1HG MET 1 1.968 12.475 12.189 9 HE1 MET 1 2HE MET 1 0.982 14.506 14.446 10 HE2 MET 1 3HE MET 1 2.256 15.724 14.379 11 HE3 MET 1 1HE MET 1 2.663 14.010 14.259 12 H SER 2 H SER 2 1.149 10.727 8.923 13 HA SER 2 HA SER 2 1.159 11.027 6.053 14 HB2 SER 2 2HB SER 2 0.142 8.798 7.821 15 HB3 SER 2 1HB SER 2 0.431 8.702 6.083 16 HG SER 2 HG SER 2 2.651 9.599 7.229 17 H ILE 3 H ILE 3 -1.135 9.941 5.151 18 HA ILE 3 HA ILE 3 -3.081 11.929 5.762 19 HB ILE 3 HB ILE 3 -4.513 10.710 4.069 20 HG12 ILE 3 2HG1 ILE 3 -1.988 9.046 3.703 21 HG13 ILE 3 1HG1 ILE 3 -3.518 8.466 4.337 22 HG21 ILE 3 1HG2 ILE 3 -3.167 11.452 2.155 23 HG22 ILE 3 2HG2 ILE 3 -1.759 11.593 3.209 24 HG23 ILE 3 3HG2 ILE 3 -3.158 12.635 3.465 25 HD11 ILE 3 3HD1 ILE 3 -3.181 7.787 2.033 26 HD12 ILE 3 1HD1 ILE 3 -3.025 9.475 1.549 27 HD13 ILE 3 2HD1 ILE 3 -4.563 8.876 2.169 28 H LEU 4 H LEU 4 -3.395 11.488 7.940 29 HA LEU 4 HA LEU 4 -4.610 8.999 8.763 30 HB2 LEU 4 2HB LEU 4 -4.151 11.546 10.318 31 HB3 LEU 4 1HB LEU 4 -4.688 10.024 11.002 32 HG LEU 4 HG LEU 4 -1.999 10.535 9.722 33 HD11 LEU 4 1HD1 LEU 4 -2.761 10.104 12.602 34 HD12 LEU 4 2HD1 LEU 4 -2.221 11.619 11.876 35 HD13 LEU 4 3HD1 LEU 4 -1.117 10.247 11.978 36 HD21 LEU 4 3HD2 LEU 4 -2.716 8.228 9.350 37 HD22 LEU 4 1HD2 LEU 4 -3.078 8.051 11.068 38 HD23 LEU 4 2HD2 LEU 4 -1.415 8.287 10.534 39 H GLU 5 H GLU 5 -5.675 11.763 7.340 40 HA GLU 5 HA GLU 5 -8.200 12.252 8.353 41 HB2 GLU 5 2HB GLU 5 -7.365 12.287 5.457 42 HB3 GLU 5 1HB GLU 5 -8.716 13.145 6.165 43 HG2 GLU 5 2HG GLU 5 -7.044 14.712 5.770 44 HG3 GLU 5 1HG GLU 5 -7.039 14.435 7.515 45 H ASP 6 H ASP 6 -6.967 9.580 6.545 46 HA ASP 6 HA ASP 6 -9.599 8.850 5.584 47 HB2 ASP 6 2HB ASP 6 -7.565 8.741 4.118 48 HB3 ASP 6 1HB ASP 6 -7.024 7.390 5.109 49 HA PRO 7 HA PRO 7 -10.170 6.164 9.111 50 HB2 PRO 7 2HB PRO 7 -12.266 4.946 7.425 51 HB3 PRO 7 1HB PRO 7 -12.399 5.681 9.027 52 HG2 PRO 7 2HG PRO 7 -13.351 6.911 6.852 53 HG3 PRO 7 1HG PRO 7 -12.598 7.819 8.174 54 HD2 PRO 7 2HD PRO 7 -11.471 7.063 5.514 55 HD3 PRO 7 1HD PRO 7 -11.308 8.570 6.448 56 H GLU 8 H GLU 8 -9.933 4.915 5.768 57 HA GLU 8 HA GLU 8 -9.522 2.275 6.777 58 HB2 GLU 8 2HB GLU 8 -9.332 3.292 3.942 59 HB3 GLU 8 1HB GLU 8 -9.274 1.598 4.434 60 HG2 GLU 8 2HG GLU 8 -11.593 3.491 4.766 61 HG3 GLU 8 1HG GLU 8 -11.495 2.124 3.659 62 H PHE 9 H PHE 9 -7.614 4.898 5.718 63 HA PHE 9 HA PHE 9 -5.109 3.546 5.575 64 HB2 PHE 9 2HB PHE 9 -5.542 5.860 4.702 65 HB3 PHE 9 1HB PHE 9 -5.623 6.416 6.369 66 HD1 PHE 9 1HD PHE 9 -3.443 5.186 3.709 67 HD2 PHE 9 2HD PHE 9 -3.632 6.678 7.688 68 HE1 PHE 9 1HE PHE 9 -1.016 5.574 3.678 69 HE2 PHE 9 2HE PHE 9 -1.218 7.065 7.666 70 HZ PHE 9 HZ PHE 9 0.098 6.513 5.657 71 H VAL 10 H VAL 10 -6.833 5.048 8.237 72 HA VAL 10 HA VAL 10 -4.738 4.462 10.027 73 HB VAL 10 HB VAL 10 -6.494 6.229 10.498 74 HG11 VAL 10 1HG1 VAL 10 -8.517 5.616 11.687 75 HG12 VAL 10 2HG1 VAL 10 -8.168 3.916 11.365 76 HG13 VAL 10 3HG1 VAL 10 -8.496 5.014 10.027 77 HG21 VAL 10 3HG2 VAL 10 -4.903 5.615 12.184 78 HG22 VAL 10 1HG2 VAL 10 -5.906 4.252 12.680 79 HG23 VAL 10 2HG2 VAL 10 -6.472 5.905 12.936 80 H LYS 11 H LYS 11 -7.538 2.619 8.944 81 HA LYS 11 HA LYS 11 -7.480 0.469 10.654 82 HB2 LYS 11 2HB LYS 11 -7.789 0.381 7.657 83 HB3 LYS 11 1HB LYS 11 -8.159 -0.947 8.739 84 HG2 LYS 11 2HG LYS 11 -9.374 1.715 8.919 85 HG3 LYS 11 1HG LYS 11 -10.117 0.431 7.932 86 HD2 LYS 11 2HD LYS 11 -10.086 -0.871 10.170 87 HD3 LYS 11 1HD LYS 11 -9.740 0.692 10.914 88 HE2 LYS 11 2HE LYS 11 -12.176 -0.125 9.351 89 HE3 LYS 11 1HE LYS 11 -12.079 0.413 11.025 90 HZ1 LYS 11 3HZ LYS 11 -12.890 2.252 9.790 91 HZ2 LYS 11 1HZ LYS 11 -11.726 2.035 8.569 92 HZ3 LYS 11 2HZ LYS 11 -11.264 2.580 10.100 93 H LEU 12 H LEU 12 -5.401 1.303 7.964 94 HA LEU 12 HA LEU 12 -3.879 -1.075 7.824 95 HB2 LEU 12 2HB LEU 12 -3.324 1.736 6.879 96 HB3 LEU 12 1HB LEU 12 -2.283 0.357 6.508 97 HG LEU 12 HG LEU 12 -5.168 0.666 5.681 98 HD11 LEU 12 1HD1 LEU 12 -2.609 0.997 4.134 99 HD12 LEU 12 2HD1 LEU 12 -3.757 2.275 4.542 100 HD13 LEU 12 3HD1 LEU 12 -4.230 0.968 3.449 101 HD21 LEU 12 3HD2 LEU 12 -4.703 -1.242 4.239 102 HD22 LEU 12 1HD2 LEU 12 -4.480 -1.661 5.939 103 HD23 LEU 12 2HD2 LEU 12 -3.079 -1.360 4.911 104 H ARG 13 H ARG 13 -3.449 1.942 9.553 105 HA ARG 13 HA ARG 13 -0.887 1.383 10.664 106 HB2 ARG 13 2HB ARG 13 -3.140 3.169 11.615 107 HB3 ARG 13 1HB ARG 13 -1.595 3.075 12.438 108 HG2 ARG 13 2HG ARG 13 -1.864 3.842 9.540 109 HG3 ARG 13 1HG ARG 13 -1.883 5.016 10.860 110 HD2 ARG 13 2HD ARG 13 0.307 4.321 11.563 111 HD3 ARG 13 1HD ARG 13 0.370 3.054 10.347 112 HE ARG 13 HE ARG 13 0.043 5.183 8.822 113 HH11 ARG 13 1HH1 ARG 13 2.204 4.716 11.592 114 HH12 ARG 13 2HH1 ARG 13 3.423 5.752 11.040 115 HH21 ARG 13 1HH2 ARG 13 1.757 6.731 8.056 116 HH22 ARG 13 2HH2 ARG 13 3.122 6.938 9.023 117 H GLN 14 H GLN 14 -4.119 0.605 11.566 118 HA GLN 14 HA GLN 14 -3.482 -0.619 14.079 119 HB2 GLN 14 2HB GLN 14 -5.963 -0.641 12.354 120 HB3 GLN 14 1HB GLN 14 -5.863 -1.354 13.959 121 HG2 GLN 14 2HG GLN 14 -5.549 0.745 14.985 122 HG3 GLN 14 1HG GLN 14 -5.232 1.529 13.445 123 HE21 GLN 14 1HE2 GLN 14 -7.886 -0.736 13.760 124 HE22 GLN 14 2HE2 GLN 14 -9.129 0.455 13.705 125 H PHE 15 H PHE 15 -3.577 -1.619 10.780 126 HA PHE 15 HA PHE 15 -3.875 -4.449 11.253 127 HB2 PHE 15 2HB PHE 15 -4.622 -3.270 9.148 128 HB3 PHE 15 1HB PHE 15 -2.929 -3.020 8.754 129 HD1 PHE 15 2HD PHE 15 -1.517 -4.923 8.094 130 HD2 PHE 15 1HD PHE 15 -5.672 -5.399 8.872 131 HE1 PHE 15 2HE PHE 15 -1.479 -7.095 6.950 132 HE2 PHE 15 1HE PHE 15 -5.641 -7.569 7.731 133 HZ PHE 15 HZ PHE 15 -3.540 -8.422 6.762 134 H LYS 16 H LYS 16 -1.290 -2.217 10.444 135 HA LYS 16 HA LYS 16 0.907 -2.170 10.895 136 HB2 LYS 16 2HB LYS 16 0.521 -4.805 12.323 137 HB3 LYS 16 1HB LYS 16 1.974 -3.828 12.374 138 HG2 LYS 16 2HG LYS 16 0.791 -2.069 13.535 139 HG3 LYS 16 1HG LYS 16 -0.724 -2.972 13.405 140 HD2 LYS 16 2HD LYS 16 0.341 -4.822 14.668 141 HD3 LYS 16 1HD LYS 16 1.759 -3.799 14.881 142 HE2 LYS 16 2HE LYS 16 0.436 -2.179 16.101 143 HE3 LYS 16 1HE LYS 16 -1.018 -3.133 15.830 144 HZ1 LYS 16 3HZ LYS 16 -0.132 -3.533 18.009 145 HZ2 LYS 16 1HZ LYS 16 1.358 -4.026 17.380 146 HZ3 LYS 16 2HZ LYS 16 -0.051 -4.929 17.082 147 H GLY 17 H GLY 17 2.926 -3.895 10.752 148 HA2 GLY 17 2HA GLY 17 2.848 -4.617 7.957 149 HA3 GLY 17 1HA GLY 17 4.265 -4.569 8.995 150 H LYS 18 H LYS 18 1.417 -6.418 8.176 151 HA LYS 18 HA LYS 18 2.588 -8.817 9.349 152 HB2 LYS 18 2HB LYS 18 -0.089 -8.320 8.059 153 HB3 LYS 18 1HB LYS 18 0.446 -9.897 8.620 154 HG2 LYS 18 2HG LYS 18 0.568 -9.131 10.866 155 HG3 LYS 18 1HG LYS 18 0.244 -7.475 10.362 156 HD2 LYS 18 2HD LYS 18 -1.800 -8.513 11.286 157 HD3 LYS 18 1HD LYS 18 -2.003 -8.200 9.564 158 HE2 LYS 18 2HE LYS 18 -1.445 -10.561 9.090 159 HE3 LYS 18 1HE LYS 18 -1.294 -10.859 10.819 160 HZ1 LYS 18 3HZ LYS 18 -3.761 -10.066 9.360 161 HZ2 LYS 18 1HZ LYS 18 -3.666 -10.216 11.029 162 HZ3 LYS 18 2HZ LYS 18 -3.440 -11.552 10.038 163 H VAL 19 H VAL 19 3.354 -7.289 6.877 164 HA VAL 19 HA VAL 19 3.270 -9.371 4.798 165 HB VAL 19 HB VAL 19 3.357 -7.405 3.186 166 HG11 VAL 19 1HG1 VAL 19 0.977 -6.890 3.331 167 HG12 VAL 19 2HG1 VAL 19 0.934 -7.548 4.969 168 HG13 VAL 19 3HG1 VAL 19 1.262 -8.609 3.600 169 HG21 VAL 19 3HG2 VAL 19 2.539 -5.231 4.064 170 HG22 VAL 19 1HG2 VAL 19 4.128 -5.685 4.696 171 HG23 VAL 19 2HG2 VAL 19 2.690 -5.877 5.695 172 H ASN 20 H ASN 20 5.166 -9.212 3.333 173 HA ASN 20 HA ASN 20 7.558 -8.414 4.723 174 HB2 ASN 20 2HB ASN 20 7.441 -10.351 2.948 175 HB3 ASN 20 1HB ASN 20 7.383 -8.998 1.799 176 HD21 ASN 20 1HD2 ASN 20 9.428 -11.121 2.273 177 HD22 ASN 20 2HD2 ASN 20 10.896 -10.256 2.418 178 H PHE 21 H PHE 21 8.199 -6.411 4.807 179 HA PHE 21 HA PHE 21 7.048 -4.213 3.591 180 HB2 PHE 21 2HB PHE 21 8.345 -3.947 5.569 181 HB3 PHE 21 1HB PHE 21 9.769 -4.627 4.806 182 HD1 PHE 21 1HD PHE 21 7.498 -1.704 4.720 183 HD2 PHE 21 2HD PHE 21 11.309 -3.272 3.708 184 HE1 PHE 21 1HE PHE 21 8.247 0.535 4.057 185 HE2 PHE 21 2HE PHE 21 12.065 -1.043 3.050 186 HZ PHE 21 HZ PHE 21 10.543 0.860 3.209 187 H ASN 22 H ASN 22 9.618 -6.253 2.513 188 HA ASN 22 HA ASN 22 10.651 -4.389 0.558 189 HB2 ASN 22 2HB ASN 22 11.172 -7.367 0.804 190 HB3 ASN 22 1HB ASN 22 12.085 -6.242 -0.190 191 HD21 ASN 22 1HD2 ASN 22 11.499 -7.426 2.994 192 HD22 ASN 22 2HD2 ASN 22 12.820 -6.641 3.770 193 H LEU 23 H LEU 23 8.377 -6.956 0.707 194 HA LEU 23 HA LEU 23 8.164 -7.204 -2.116 195 HB2 LEU 23 2HB LEU 23 7.733 -9.094 -0.569 196 HB3 LEU 23 1HB LEU 23 6.337 -8.239 0.049 197 HG LEU 23 HG LEU 23 5.197 -8.472 -2.094 198 HD11 LEU 23 1HD1 LEU 23 7.142 -8.328 -3.576 199 HD12 LEU 23 2HD1 LEU 23 6.203 -9.785 -3.901 200 HD13 LEU 23 3HD1 LEU 23 7.707 -9.890 -2.985 201 HD21 LEU 23 3HD2 LEU 23 5.044 -10.285 -0.453 202 HD22 LEU 23 1HD2 LEU 23 6.437 -11.062 -1.196 203 HD23 LEU 23 2HD2 LEU 23 4.937 -10.880 -2.109 204 H VAL 24 H VAL 24 6.291 -5.652 0.489 205 HA VAL 24 HA VAL 24 4.247 -4.598 -1.127 206 HB VAL 24 HB VAL 24 5.418 -3.355 1.383 207 HG11 VAL 24 1HG1 VAL 24 4.041 -1.763 0.133 208 HG12 VAL 24 2HG1 VAL 24 3.235 -2.253 1.624 209 HG13 VAL 24 3HG1 VAL 24 2.724 -2.935 0.079 210 HG21 VAL 24 3HG2 VAL 24 3.603 -4.475 2.533 211 HG22 VAL 24 1HG2 VAL 24 4.680 -5.629 1.748 212 HG23 VAL 24 2HG2 VAL 24 3.117 -5.247 1.024 213 H MET 25 H MET 25 7.402 -3.260 -0.230 214 HA MET 25 HA MET 25 7.245 -0.829 -1.581 215 HB2 MET 25 2HB MET 25 9.124 -1.193 -0.187 216 HB3 MET 25 1HB MET 25 9.637 -2.635 -1.019 217 HG2 MET 25 2HG MET 25 10.046 -1.142 -3.037 218 HG3 MET 25 1HG MET 25 9.797 0.224 -1.954 219 HE1 MET 25 3HE MET 25 11.403 0.805 0.083 220 HE2 MET 25 1HE MET 25 12.781 -0.191 0.556 221 HE3 MET 25 2HE MET 25 11.141 -0.806 0.753 222 H GLN 26 H GLN 26 8.186 -3.998 -2.773 223 HA GLN 26 HA GLN 26 8.630 -3.179 -5.433 224 HB2 GLN 26 2HB GLN 26 9.604 -5.242 -4.636 225 HB3 GLN 26 1HB GLN 26 8.021 -5.894 -4.246 226 HG2 GLN 26 2HG GLN 26 7.462 -5.968 -6.626 227 HG3 GLN 26 1HG GLN 26 9.044 -5.296 -7.015 228 HE21 GLN 26 1HE2 GLN 26 9.538 -7.105 -8.252 229 HE22 GLN 26 2HE2 GLN 26 9.950 -8.615 -7.530 230 H ILE 27 H ILE 27 5.758 -4.466 -3.790 231 HA ILE 27 HA ILE 27 4.031 -4.764 -5.984 232 HB ILE 27 HB ILE 27 3.301 -3.769 -3.204 233 HG12 ILE 27 2HG1 ILE 27 4.371 -5.978 -3.110 234 HG13 ILE 27 1HG1 ILE 27 2.678 -6.080 -2.663 235 HG21 ILE 27 1HG2 ILE 27 1.019 -4.547 -3.643 236 HG22 ILE 27 2HG2 ILE 27 1.480 -4.930 -5.299 237 HG23 ILE 27 3HG2 ILE 27 1.515 -3.257 -4.742 238 HD11 ILE 27 3HD1 ILE 27 2.162 -6.967 -4.878 239 HD12 ILE 27 1HD1 ILE 27 3.350 -7.954 -4.029 240 HD13 ILE 27 2HD1 ILE 27 3.869 -6.863 -5.312 241 H LEU 28 H LEU 28 4.508 -1.977 -3.882 242 HA LEU 28 HA LEU 28 2.807 -0.187 -5.218 243 HB2 LEU 28 2HB LEU 28 5.228 0.332 -3.508 244 HB3 LEU 28 1HB LEU 28 4.065 1.549 -3.988 245 HG LEU 28 HG LEU 28 3.400 -0.859 -2.284 246 HD11 LEU 28 1HD1 LEU 28 4.934 0.620 -1.139 247 HD12 LEU 28 2HD1 LEU 28 3.322 0.716 -0.427 248 HD13 LEU 28 3HD1 LEU 28 3.900 2.003 -1.489 249 HD21 LEU 28 3HD2 LEU 28 1.343 0.378 -1.808 250 HD22 LEU 28 1HD2 LEU 28 1.492 0.026 -3.532 251 HD23 LEU 28 2HD2 LEU 28 1.853 1.644 -2.922 252 H ASP 29 H ASP 29 6.224 -0.860 -5.521 253 HA ASP 29 HA ASP 29 6.941 1.189 -7.352 254 HB2 ASP 29 2HB ASP 29 8.463 -0.391 -5.945 255 HB3 ASP 29 1HB ASP 29 8.092 -1.564 -7.154 256 H GLU 30 H GLU 30 6.059 -2.177 -7.782 257 HA GLU 30 HA GLU 30 6.408 -2.408 -10.550 258 HB2 GLU 30 2HB GLU 30 6.096 -4.182 -8.640 259 HB3 GLU 30 1HB GLU 30 4.393 -4.031 -9.020 260 HG2 GLU 30 2HG GLU 30 4.786 -4.804 -11.270 261 HG3 GLU 30 1HG GLU 30 6.525 -4.833 -10.989 262 H ILE 31 H ILE 31 3.484 -1.643 -8.632 263 HA ILE 31 HA ILE 31 1.842 -1.368 -10.963 264 HB ILE 31 HB ILE 31 0.136 -0.317 -9.539 265 HG12 ILE 31 2HG1 ILE 31 2.161 -0.477 -7.301 266 HG13 ILE 31 1HG1 ILE 31 1.649 1.000 -8.105 267 HG21 ILE 31 1HG2 ILE 31 -0.259 -2.144 -7.956 268 HG22 ILE 31 2HG2 ILE 31 1.379 -2.719 -8.241 269 HG23 ILE 31 3HG2 ILE 31 0.201 -2.719 -9.559 270 HD11 ILE 31 3HD1 ILE 31 -0.615 0.658 -7.268 271 HD12 ILE 31 1HD1 ILE 31 0.571 0.740 -5.965 272 HD13 ILE 31 2HD1 ILE 31 -0.082 -0.821 -6.465 273 H GLU 32 H GLU 32 3.733 0.876 -9.012 274 HA GLU 32 HA GLU 32 2.731 3.269 -10.014 275 HB2 GLU 32 2HB GLU 32 4.027 3.116 -7.978 276 HB3 GLU 32 1HB GLU 32 5.431 2.586 -8.877 277 HG2 GLU 32 2HG GLU 32 5.607 4.683 -9.942 278 HG3 GLU 32 1HG GLU 32 4.131 5.281 -9.157 279 H LEU 33 H LEU 33 5.578 1.421 -11.023 280 HA LEU 33 HA LEU 33 6.209 3.229 -13.109 281 HB2 LEU 33 2HB LEU 33 7.846 1.534 -13.867 282 HB3 LEU 33 1HB LEU 33 7.995 1.938 -12.177 283 HG LEU 33 HG LEU 33 6.663 -0.232 -11.744 284 HD11 LEU 33 1HD1 LEU 33 7.597 -0.826 -14.534 285 HD12 LEU 33 2HD1 LEU 33 5.922 -0.669 -14.000 286 HD13 LEU 33 3HD1 LEU 33 6.924 -1.983 -13.385 287 HD21 LEU 33 3HD2 LEU 33 8.705 -1.574 -11.818 288 HD22 LEU 33 1HD2 LEU 33 8.991 0.037 -11.164 289 HD23 LEU 33 2HD2 LEU 33 9.471 -0.341 -12.818 290 H ASP 34 H ASP 34 4.130 0.505 -12.934 291 HA ASP 34 HA ASP 34 3.795 0.196 -15.774 292 HB2 ASP 34 2HB ASP 34 3.279 -1.636 -14.188 293 HB3 ASP 34 1HB ASP 34 1.967 -0.675 -13.522 294 H LEU 35 H LEU 35 2.058 1.774 -13.196 295 HA LEU 35 HA LEU 35 -0.114 2.784 -14.661 296 HB2 LEU 35 2HB LEU 35 -0.043 2.528 -12.226 297 HB3 LEU 35 1HB LEU 35 1.199 3.749 -12.128 298 HG LEU 35 HG LEU 35 -0.424 5.412 -12.959 299 HD11 LEU 35 1HD1 LEU 35 -2.824 4.807 -12.919 300 HD12 LEU 35 2HD1 LEU 35 -2.355 3.123 -12.673 301 HD13 LEU 35 3HD1 LEU 35 -1.923 3.944 -14.165 302 HD21 LEU 35 3HD2 LEU 35 -0.006 5.158 -10.581 303 HD22 LEU 35 1HD2 LEU 35 -1.240 3.901 -10.483 304 HD23 LEU 35 2HD2 LEU 35 -1.700 5.559 -10.872 305 H ARG 36 H ARG 36 2.710 4.456 -13.376 306 HA ARG 36 HA ARG 36 3.626 6.446 -13.683 307 HB2 ARG 36 2HB ARG 36 4.594 4.807 -15.415 308 HB3 ARG 36 1HB ARG 36 3.751 5.785 -16.606 309 HG2 ARG 36 2HG ARG 36 6.088 6.455 -16.394 310 HG3 ARG 36 1HG ARG 36 5.009 7.760 -15.886 311 HD2 ARG 36 2HD ARG 36 5.391 7.294 -13.581 312 HD3 ARG 36 1HD ARG 36 6.232 5.789 -13.955 313 HE ARG 36 HE ARG 36 7.602 7.911 -15.126 314 HH11 ARG 36 1HH1 ARG 36 6.682 6.973 -11.851 315 HH12 ARG 36 2HH1 ARG 36 8.159 7.378 -11.144 316 HH21 ARG 36 1HH2 ARG 36 9.670 8.529 -14.130 317 HH22 ARG 36 2HH2 ARG 36 9.899 8.253 -12.465 318 H GLY 37 H GLY 37 2.048 6.583 -16.890 319 HA2 GLY 37 2HA GLY 37 1.413 9.323 -16.729 320 HA3 GLY 37 1HA GLY 37 0.705 8.176 -17.861 321 H SER 38 H SER 38 -0.216 6.498 -15.708 322 HA SER 38 HA SER 38 -1.792 6.130 -14.219 323 HB2 SER 38 2HB SER 38 -1.824 9.113 -13.715 324 HB3 SER 38 1HB SER 38 -2.543 7.862 -12.694 325 HG SER 38 HG SER 38 0.209 8.013 -13.360 326 H ASP 39 H ASP 39 -3.190 5.286 -15.718 327 HA ASP 39 HA ASP 39 -5.523 7.010 -16.023 328 HB2 ASP 39 2HB ASP 39 -6.203 5.955 -18.137 329 HB3 ASP 39 1HB ASP 39 -4.598 6.626 -18.293 330 H ASN 40 H ASN 40 -4.724 3.522 -16.031 331 HA ASN 40 HA ASN 40 -7.011 3.198 -14.249 332 HB2 ASN 40 2HB ASN 40 -6.293 1.503 -16.631 333 HB3 ASN 40 1HB ASN 40 -7.264 0.865 -15.309 334 HD21 ASN 40 1HD2 ASN 40 -7.122 3.206 -17.876 335 HD22 ASN 40 2HD2 ASN 40 -8.822 3.533 -17.930 336 H ILE 41 H ILE 41 -5.829 3.206 -12.491 337 HA ILE 41 HA ILE 41 -3.494 1.616 -12.212 338 HB ILE 41 HB ILE 41 -3.558 3.585 -10.908 339 HG12 ILE 41 2HG1 ILE 41 -4.027 1.284 -8.988 340 HG13 ILE 41 1HG1 ILE 41 -2.493 1.683 -9.747 341 HG21 ILE 41 1HG2 ILE 41 -5.271 3.998 -9.152 342 HG22 ILE 41 2HG2 ILE 41 -6.210 2.693 -9.924 343 HG23 ILE 41 3HG2 ILE 41 -5.791 4.135 -10.830 344 HD11 ILE 41 3HD1 ILE 41 -4.005 3.370 -7.763 345 HD12 ILE 41 1HD1 ILE 41 -2.492 3.828 -8.547 346 HD13 ILE 41 2HD1 ILE 41 -2.535 2.441 -7.464 347 H LYS 42 H LYS 42 -6.869 1.050 -11.624 348 HA LYS 42 HA LYS 42 -6.702 -1.205 -10.019 349 HB2 LYS 42 2HB LYS 42 -8.872 -1.894 -11.006 350 HB3 LYS 42 1HB LYS 42 -8.846 -0.215 -10.502 351 HG2 LYS 42 2HG LYS 42 -8.549 0.473 -12.845 352 HG3 LYS 42 1HG LYS 42 -8.584 -1.220 -13.336 353 HD2 LYS 42 2HD LYS 42 -10.858 -1.435 -12.457 354 HD3 LYS 42 1HD LYS 42 -10.816 0.249 -11.935 355 HE2 LYS 42 2HE LYS 42 -10.553 0.964 -14.260 356 HE3 LYS 42 1HE LYS 42 -10.589 -0.717 -14.781 357 HZ1 LYS 42 3HZ LYS 42 -12.834 -0.902 -13.933 358 HZ2 LYS 42 1HZ LYS 42 -12.740 0.338 -15.061 359 HZ3 LYS 42 2HZ LYS 42 -12.828 0.680 -13.406 360 H THR 43 H THR 43 -6.243 -0.913 -13.511 361 HA THR 43 HA THR 43 -6.132 -3.661 -14.056 362 HB THR 43 HB THR 43 -4.869 -1.397 -15.618 363 HG1 THR 43 1HG THR 43 -7.557 -2.345 -15.755 364 HG21 THR 43 3HG2 THR 43 -5.464 -2.809 -17.548 365 HG22 THR 43 1HG2 THR 43 -6.151 -4.012 -16.458 366 HG23 THR 43 2HG2 THR 43 -4.418 -3.688 -16.433 367 H SER 44 H SER 44 -3.664 -1.148 -13.384 368 HA SER 44 HA SER 44 -1.415 -2.744 -13.661 369 HB2 SER 44 2HB SER 44 -1.849 -0.359 -11.847 370 HB3 SER 44 1HB SER 44 -0.291 -0.985 -12.412 371 HG SER 44 HG SER 44 -0.771 -0.437 -14.450 372 H ILE 45 H ILE 45 -3.550 -2.162 -10.911 373 HA ILE 45 HA ILE 45 -2.225 -3.490 -8.854 374 HB ILE 45 HB ILE 45 -5.189 -3.226 -9.432 375 HG12 ILE 45 2HG1 ILE 45 -4.063 -1.095 -8.989 376 HG13 ILE 45 1HG1 ILE 45 -5.202 -1.488 -7.710 377 HG21 ILE 45 1HG2 ILE 45 -3.966 -4.233 -6.880 378 HG22 ILE 45 2HG2 ILE 45 -4.953 -5.148 -8.017 379 HG23 ILE 45 3HG2 ILE 45 -5.664 -3.814 -7.107 380 HD11 ILE 45 3HD1 ILE 45 -2.206 -1.775 -7.585 381 HD12 ILE 45 1HD1 ILE 45 -3.333 -2.223 -6.301 382 HD13 ILE 45 2HD1 ILE 45 -3.183 -0.538 -6.798 383 H ILE 46 H ILE 46 -4.523 -4.732 -11.230 384 HA ILE 46 HA ILE 46 -4.831 -7.331 -10.365 385 HB ILE 46 HB ILE 46 -4.866 -6.343 -13.231 386 HG12 ILE 46 2HG1 ILE 46 -7.129 -6.752 -11.260 387 HG13 ILE 46 1HG1 ILE 46 -6.432 -5.196 -11.694 388 HG21 ILE 46 1HG2 ILE 46 -6.266 -8.316 -13.709 389 HG22 ILE 46 2HG2 ILE 46 -6.020 -8.883 -12.060 390 HG23 ILE 46 3HG2 ILE 46 -4.652 -8.781 -13.167 391 HD11 ILE 46 3HD1 ILE 46 -7.185 -5.517 -14.007 392 HD12 ILE 46 1HD1 ILE 46 -8.523 -5.578 -12.859 393 HD13 ILE 46 2HD1 ILE 46 -7.882 -7.068 -13.550 394 H TYR 47 H TYR 47 -2.344 -6.102 -12.613 395 HA TYR 47 HA TYR 47 -1.291 -8.612 -13.354 396 HB2 TYR 47 2HB TYR 47 0.368 -6.110 -13.079 397 HB3 TYR 47 1HB TYR 47 0.675 -7.477 -14.122 398 HD1 TYR 47 1HD TYR 47 -1.615 -7.876 -15.741 399 HD2 TYR 47 2HD TYR 47 -0.106 -4.237 -14.166 400 HE1 TYR 47 1HE TYR 47 -2.655 -6.638 -17.604 401 HE2 TYR 47 2HE TYR 47 -1.138 -2.993 -15.990 402 HH TYR 47 HH TYR 47 -1.885 -3.357 -18.200 403 H VAL 48 H VAL 48 -0.244 -6.269 -10.978 404 HA VAL 48 HA VAL 48 1.985 -7.685 -10.046 405 HB VAL 48 HB VAL 48 0.419 -5.456 -8.734 406 HG11 VAL 48 1HG1 VAL 48 3.256 -6.377 -8.257 407 HG12 VAL 48 2HG1 VAL 48 1.899 -6.596 -7.149 408 HG13 VAL 48 3HG1 VAL 48 2.479 -4.973 -7.521 409 HG21 VAL 48 3HG2 VAL 48 2.789 -5.412 -10.590 410 HG22 VAL 48 1HG2 VAL 48 2.128 -4.005 -9.761 411 HG23 VAL 48 2HG2 VAL 48 1.156 -4.861 -10.955 412 H TYR 49 H TYR 49 -1.304 -7.371 -8.757 413 HA TYR 49 HA TYR 49 -0.817 -8.897 -6.463 414 HB2 TYR 49 2HB TYR 49 -3.359 -8.209 -7.922 415 HB3 TYR 49 1HB TYR 49 -3.372 -9.267 -6.520 416 HD1 TYR 49 2HD TYR 49 -0.972 -6.502 -6.598 417 HD2 TYR 49 1HD TYR 49 -4.858 -7.698 -5.377 418 HE1 TYR 49 2HE TYR 49 -1.102 -4.536 -5.118 419 HE2 TYR 49 1HE TYR 49 -5.000 -5.739 -3.888 420 HH TYR 49 HH TYR 49 -3.683 -4.131 -2.823 421 H SER 50 H SER 50 -1.822 -9.833 -9.716 422 HA SER 50 HA SER 50 -2.294 -12.530 -8.973 423 HB2 SER 50 2HB SER 50 -3.371 -11.439 -10.940 424 HB3 SER 50 1HB SER 50 -1.803 -11.409 -11.743 425 HG SER 50 HG SER 50 -1.908 -13.827 -11.212 426 H SER 51 H SER 51 0.531 -10.742 -9.742 427 HA SER 51 HA SER 51 2.049 -13.138 -10.351 428 HB2 SER 51 2HB SER 51 2.303 -10.976 -11.648 429 HB3 SER 51 1HB SER 51 3.019 -10.272 -10.199 430 HG SER 51 HG SER 51 4.719 -10.975 -11.263 431 H HIS 52 H HIS 52 1.043 -11.579 -7.610 432 HA HIS 52 HA HIS 52 3.226 -12.733 -6.018 433 HB2 HIS 52 2HB HIS 52 2.143 -9.905 -5.640 434 HB3 HIS 52 1HB HIS 52 3.267 -10.698 -4.553 435 HD1 HIS 52 1HD HIS 52 5.773 -10.952 -5.454 436 HD2 HIS 52 2HD HIS 52 3.270 -8.704 -7.889 437 HE1 HIS 52 1HE HIS 52 7.292 -9.652 -6.983 438 HE2 HIS 52 2HE HIS 52 5.746 -8.148 -8.304 439 H LEU 53 H LEU 53 0.743 -13.786 -6.548 440 HA LEU 53 HA LEU 53 -1.535 -13.082 -5.203 441 HB2 LEU 53 2HB LEU 53 -0.573 -15.802 -5.962 442 HB3 LEU 53 1HB LEU 53 -2.145 -15.508 -5.258 443 HG LEU 53 HG LEU 53 -1.180 -14.279 -7.820 444 HD11 LEU 53 1HD1 LEU 53 -2.693 -15.900 -8.913 445 HD12 LEU 53 2HD1 LEU 53 -3.004 -16.650 -7.347 446 HD13 LEU 53 3HD1 LEU 53 -1.390 -16.711 -8.049 447 HD21 LEU 53 3HD2 LEU 53 -2.897 -12.947 -6.770 448 HD22 LEU 53 1HD2 LEU 53 -3.882 -14.387 -6.486 449 HD23 LEU 53 2HD2 LEU 53 -3.608 -13.824 -8.124 450 H ASP 54 H ASP 54 0.978 -15.153 -3.913 451 HA ASP 54 HA ASP 54 -0.570 -16.113 -1.782 452 HB2 ASP 54 2HB ASP 54 1.433 -17.299 -2.441 453 HB3 ASP 54 1HB ASP 54 2.434 -15.945 -1.931 454 H GLU 55 H GLU 55 1.748 -13.422 -1.737 455 HA GLU 55 HA GLU 55 1.327 -12.853 1.035 456 HB2 GLU 55 2HB GLU 55 3.316 -12.047 -0.277 457 HB3 GLU 55 1HB GLU 55 2.252 -10.915 -1.102 458 HG2 GLU 55 2HG GLU 55 3.392 -9.698 0.611 459 HG3 GLU 55 1HG GLU 55 1.729 -9.902 1.130 460 H ILE 56 H ILE 56 -0.182 -11.880 -1.942 461 HA ILE 56 HA ILE 56 -1.831 -9.803 -0.970 462 HB ILE 56 HB ILE 56 -2.460 -11.726 -3.234 463 HG12 ILE 56 2HG1 ILE 56 -0.337 -10.709 -3.831 464 HG13 ILE 56 1HG1 ILE 56 -1.606 -9.940 -4.761 465 HG21 ILE 56 1HG2 ILE 56 -4.414 -10.502 -2.564 466 HG22 ILE 56 2HG2 ILE 56 -3.870 -9.932 -4.143 467 HG23 ILE 56 3HG2 ILE 56 -3.545 -8.971 -2.699 468 HD11 ILE 56 3HD1 ILE 56 -0.317 -8.778 -2.317 469 HD12 ILE 56 1HD1 ILE 56 -1.564 -8.022 -3.312 470 HD13 ILE 56 2HD1 ILE 56 0.029 -8.346 -3.993 471 H ARG 57 H ARG 57 -2.230 -13.276 -1.268 472 HA ARG 57 HA ARG 57 -4.931 -13.490 -0.520 473 HB2 ARG 57 2HB ARG 57 -3.342 -15.206 -1.598 474 HB3 ARG 57 1HB ARG 57 -2.859 -15.578 0.047 475 HG2 ARG 57 2HG ARG 57 -4.486 -17.173 -0.448 476 HG3 ARG 57 1HG ARG 57 -5.354 -15.955 0.494 477 HD2 ARG 57 2HD ARG 57 -5.242 -16.068 -2.482 478 HD3 ARG 57 1HD ARG 57 -6.567 -16.753 -1.540 479 HE ARG 57 HE ARG 57 -7.065 -14.456 -0.814 480 HH11 ARG 57 1HH1 ARG 57 -5.109 -14.827 -3.751 481 HH12 ARG 57 2HH1 ARG 57 -5.563 -13.338 -4.428 482 HH21 ARG 57 1HH2 ARG 57 -7.713 -12.425 -1.746 483 HH22 ARG 57 2HH2 ARG 57 -7.079 -11.906 -3.242 484 H LYS 58 H LYS 58 -1.969 -13.935 1.321 485 HA LYS 58 HA LYS 58 -2.995 -14.629 3.828 486 HB2 LYS 58 2HB LYS 58 -0.509 -13.085 3.121 487 HB3 LYS 58 1HB LYS 58 -0.860 -13.745 4.707 488 HG2 LYS 58 2HG LYS 58 -0.574 -15.941 3.993 489 HG3 LYS 58 1HG LYS 58 -0.782 -15.502 2.293 490 HD2 LYS 58 2HD LYS 58 1.563 -15.986 2.829 491 HD3 LYS 58 1HD LYS 58 1.341 -14.326 2.306 492 HE2 LYS 58 2HE LYS 58 1.210 -13.769 4.817 493 HE3 LYS 58 1HE LYS 58 1.896 -15.379 5.059 494 HZ1 LYS 58 3HZ LYS 58 3.734 -14.640 3.496 495 HZ2 LYS 58 1HZ LYS 58 3.670 -13.754 4.950 496 HZ3 LYS 58 2HZ LYS 58 3.018 -13.123 3.555 497 H ASN 59 H ASN 59 -2.585 -11.513 2.326 498 HA ASN 59 HA ASN 59 -3.716 -10.226 4.718 499 HB2 ASN 59 2HB ASN 59 -1.580 -9.078 2.901 500 HB3 ASN 59 1HB ASN 59 -2.273 -8.316 4.326 501 HD21 ASN 59 1HD2 ASN 59 -0.079 -10.731 3.145 502 HD22 ASN 59 2HD2 ASN 59 0.709 -11.026 4.628 503 H LYS 60 H LYS 60 -5.248 -11.162 2.760 504 HA LYS 60 HA LYS 60 -5.768 -9.686 0.501 505 HB2 LYS 60 2HB LYS 60 -8.042 -10.667 0.597 506 HB3 LYS 60 1HB LYS 60 -6.760 -11.839 0.865 507 HG2 LYS 60 2HG LYS 60 -7.154 -11.596 3.313 508 HG3 LYS 60 1HG LYS 60 -8.553 -10.596 2.929 509 HD2 LYS 60 2HD LYS 60 -9.499 -12.476 1.652 510 HD3 LYS 60 1HD LYS 60 -8.120 -13.466 2.132 511 HE2 LYS 60 2HE LYS 60 -8.703 -13.118 4.486 512 HE3 LYS 60 1HE LYS 60 -10.108 -12.179 3.994 513 HZ1 LYS 60 3HZ LYS 60 -10.953 -14.154 2.863 514 HZ2 LYS 60 1HZ LYS 60 -10.715 -14.423 4.513 515 HZ3 LYS 60 2HZ LYS 60 -9.612 -15.031 3.406 516 H GLU 61 H GLU 61 -6.886 -9.017 3.786 517 HA GLU 61 HA GLU 61 -8.666 -6.965 3.038 518 HB2 GLU 61 2HB GLU 61 -7.304 -7.571 5.656 519 HB3 GLU 61 1HB GLU 61 -8.637 -6.443 5.438 520 HG2 GLU 61 2HG GLU 61 -10.123 -8.182 4.802 521 HG3 GLU 61 1HG GLU 61 -8.807 -9.350 4.717 522 H PHE 62 H PHE 62 -5.319 -7.083 4.093 523 HA PHE 62 HA PHE 62 -4.808 -4.309 4.277 524 HB2 PHE 62 2HB PHE 62 -3.250 -5.929 5.233 525 HB3 PHE 62 1HB PHE 62 -2.983 -6.621 3.639 526 HD1 PHE 62 2HD PHE 62 -2.447 -3.547 5.648 527 HD2 PHE 62 1HD PHE 62 -1.259 -5.835 2.262 528 HE1 PHE 62 2HE PHE 62 -0.507 -2.062 5.322 529 HE2 PHE 62 1HE PHE 62 0.682 -4.361 1.935 530 HZ PHE 62 HZ PHE 62 1.058 -2.474 3.460 531 H TYR 63 H TYR 63 -4.304 -6.641 1.680 532 HA TYR 63 HA TYR 63 -3.332 -4.683 -0.054 533 HB2 TYR 63 2HB TYR 63 -4.049 -7.542 -0.490 534 HB3 TYR 63 1HB TYR 63 -3.635 -6.488 -1.850 535 HD1 TYR 63 2HD TYR 63 -1.450 -5.304 -1.851 536 HD2 TYR 63 1HD TYR 63 -2.328 -8.385 0.930 537 HE1 TYR 63 2HE TYR 63 0.952 -5.529 -1.362 538 HE2 TYR 63 1HE TYR 63 0.067 -8.618 1.432 539 HH TYR 63 HH TYR 63 2.211 -8.145 0.389 540 H ASP 64 H ASP 64 -6.566 -5.899 0.428 541 HA ASP 64 HA ASP 64 -7.600 -4.523 -1.831 542 HB2 ASP 64 2HB ASP 64 -8.989 -6.225 -0.778 543 HB3 ASP 64 1HB ASP 64 -9.005 -5.313 0.730 544 H MET 65 H MET 65 -7.317 -3.654 1.596 545 HA MET 65 HA MET 65 -8.452 -1.127 1.363 546 HB2 MET 65 2HB MET 65 -6.438 -2.149 3.348 547 HB3 MET 65 1HB MET 65 -7.139 -0.539 3.452 548 HG2 MET 65 2HG MET 65 -9.384 -1.598 3.548 549 HG3 MET 65 1HG MET 65 -8.571 -3.155 3.560 550 HE1 MET 65 3HE MET 65 -6.099 -2.791 5.404 551 HE2 MET 65 1HE MET 65 -7.211 -4.139 5.617 552 HE3 MET 65 2HE MET 65 -6.724 -3.166 7.009 553 H ILE 66 H ILE 66 -5.008 -2.043 1.072 554 HA ILE 66 HA ILE 66 -4.336 0.647 0.594 555 HB ILE 66 HB ILE 66 -2.148 -0.045 -0.261 556 HG12 ILE 66 2HG1 ILE 66 -2.928 -2.874 0.258 557 HG13 ILE 66 1HG1 ILE 66 -3.047 -2.210 -1.370 558 HG21 ILE 66 1HG2 ILE 66 -1.313 -1.136 1.756 559 HG22 ILE 66 2HG2 ILE 66 -2.966 -1.539 2.213 560 HG23 ILE 66 3HG2 ILE 66 -2.464 0.148 2.126 561 HD11 ILE 66 3HD1 ILE 66 -0.649 -1.697 -1.274 562 HD12 ILE 66 1HD1 ILE 66 -0.966 -3.423 -1.095 563 HD13 ILE 66 2HD1 ILE 66 -0.563 -2.444 0.324 564 H ALA 67 H ALA 67 -5.198 -1.973 -1.636 565 HA ALA 67 HA ALA 67 -4.623 -0.593 -4.018 566 HB1 ALA 67 1HB ALA 67 -6.844 -2.583 -3.530 567 HB2 ALA 67 2HB ALA 67 -5.183 -2.989 -3.968 568 HB3 ALA 67 3HB ALA 67 -6.204 -2.109 -5.104 569 H GLU 68 H GLU 68 -7.467 -0.674 -2.008 570 HA GLU 68 HA GLU 68 -9.212 0.917 -3.474 571 HB2 GLU 68 2HB GLU 68 -9.679 -0.423 -1.391 572 HB3 GLU 68 1HB GLU 68 -8.872 0.834 -0.473 573 HG2 GLU 68 2HG GLU 68 -11.231 1.139 -0.318 574 HG3 GLU 68 1HG GLU 68 -10.516 2.433 -1.295 575 H ILE 69 H ILE 69 -7.063 1.801 -0.820 576 HA ILE 69 HA ILE 69 -7.362 4.573 -0.967 577 HB ILE 69 HB ILE 69 -5.163 2.890 0.255 578 HG12 ILE 69 2HG1 ILE 69 -7.488 4.366 1.501 579 HG13 ILE 69 1HG1 ILE 69 -7.470 2.644 1.136 580 HG21 ILE 69 1HG2 ILE 69 -5.647 5.856 0.639 581 HG22 ILE 69 2HG2 ILE 69 -4.267 5.139 -0.189 582 HG23 ILE 69 3HG2 ILE 69 -4.493 4.872 1.540 583 HD11 ILE 69 3HD1 ILE 69 -5.655 2.326 2.703 584 HD12 ILE 69 1HD1 ILE 69 -7.042 3.077 3.481 585 HD13 ILE 69 2HD1 ILE 69 -5.636 4.056 3.056 586 H LEU 70 H LEU 70 -4.896 2.490 -2.486 587 HA LEU 70 HA LEU 70 -3.256 4.459 -3.553 588 HB2 LEU 70 2HB LEU 70 -4.019 1.768 -4.688 589 HB3 LEU 70 1HB LEU 70 -2.747 2.776 -5.350 590 HG LEU 70 HG LEU 70 -2.721 1.715 -2.522 591 HD11 LEU 70 1HD1 LEU 70 -1.080 0.093 -3.327 592 HD12 LEU 70 2HD1 LEU 70 -1.376 0.628 -4.981 593 HD13 LEU 70 3HD1 LEU 70 -2.660 -0.153 -4.064 594 HD21 LEU 70 3HD2 LEU 70 -1.360 3.708 -2.893 595 HD22 LEU 70 1HD2 LEU 70 -0.560 2.912 -4.246 596 HD23 LEU 70 2HD2 LEU 70 -0.357 2.288 -2.608 597 H GLN 71 H GLN 71 -6.180 3.083 -4.948 598 HA GLN 71 HA GLN 71 -6.101 4.641 -7.338 599 HB2 GLN 71 2HB GLN 71 -8.438 3.327 -5.952 600 HB3 GLN 71 1HB GLN 71 -8.433 3.891 -7.616 601 HG2 GLN 71 2HG GLN 71 -6.793 2.229 -8.212 602 HG3 GLN 71 1HG GLN 71 -6.619 1.761 -6.527 603 HE21 GLN 71 1HE2 GLN 71 -8.136 0.553 -5.587 604 HE22 GLN 71 2HE2 GLN 71 -9.398 -0.270 -6.441 605 H ARG 72 H ARG 72 -7.955 4.846 -4.387 606 HA ARG 72 HA ARG 72 -9.513 7.085 -4.750 607 HB2 ARG 72 2HB ARG 72 -9.784 5.396 -3.083 608 HB3 ARG 72 1HB ARG 72 -8.228 5.763 -2.399 609 HG2 ARG 72 2HG ARG 72 -9.102 7.805 -1.460 610 HG3 ARG 72 1HG ARG 72 -10.663 7.519 -2.259 611 HD2 ARG 72 2HD ARG 72 -11.004 5.486 -1.079 612 HD3 ARG 72 1HD ARG 72 -9.370 5.492 -0.465 613 HE ARG 72 HE ARG 72 -9.978 7.281 1.035 614 HH11 ARG 72 1HH1 ARG 72 -12.753 5.725 -0.515 615 HH12 ARG 72 2HH1 ARG 72 -13.779 5.987 0.813 616 HH21 ARG 72 1HH2 ARG 72 -11.253 7.576 2.758 617 HH22 ARG 72 2HH2 ARG 72 -12.920 7.164 2.792 618 H TYR 73 H TYR 73 -6.214 6.844 -3.423 619 HA TYR 73 HA TYR 73 -6.196 9.704 -3.190 620 HB2 TYR 73 2HB TYR 73 -4.530 7.637 -1.850 621 HB3 TYR 73 1HB TYR 73 -4.011 9.324 -1.897 622 HD1 TYR 73 2HD TYR 73 -6.758 7.098 -0.862 623 HD2 TYR 73 1HD TYR 73 -4.972 10.921 -0.483 624 HE1 TYR 73 2HE TYR 73 -8.284 7.621 0.963 625 HE2 TYR 73 1HE TYR 73 -6.501 11.464 1.343 626 HH TYR 73 HH TYR 73 -8.614 9.035 2.693 627 H TYR 74 H TYR 74 -4.877 7.441 -5.427 628 HA TYR 74 HA TYR 74 -2.710 9.083 -6.184 629 HB2 TYR 74 2HB TYR 74 -2.381 7.560 -7.894 630 HB3 TYR 74 1HB TYR 74 -3.647 6.635 -7.121 631 HD1 TYR 74 1HD TYR 74 -5.900 6.553 -8.136 632 HD2 TYR 74 2HD TYR 74 -2.772 8.729 -9.981 633 HE1 TYR 74 1HE TYR 74 -7.224 6.696 -10.197 634 HE2 TYR 74 2HE TYR 74 -4.078 8.896 -12.037 635 HH TYR 74 HH TYR 74 -5.964 7.609 -13.151 636 H LYS 75 H LYS 75 -6.103 9.149 -6.718 637 HA LYS 75 HA LYS 75 -6.248 11.212 -8.665 638 HB2 LYS 75 2HB LYS 75 -8.265 10.518 -6.530 639 HB3 LYS 75 1HB LYS 75 -8.574 11.385 -8.019 640 HG2 LYS 75 2HG LYS 75 -8.115 9.374 -9.303 641 HG3 LYS 75 1HG LYS 75 -7.730 8.505 -7.817 642 HD2 LYS 75 2HD LYS 75 -9.998 8.951 -6.991 643 HD3 LYS 75 1HD LYS 75 -10.380 9.747 -8.516 644 HE2 LYS 75 2HE LYS 75 -9.924 7.627 -9.693 645 HE3 LYS 75 1HE LYS 75 -9.622 6.853 -8.138 646 HZ1 LYS 75 3HZ LYS 75 -12.181 8.075 -9.022 647 HZ2 LYS 75 1HZ LYS 75 -11.924 7.432 -7.494 648 HZ3 LYS 75 2HZ LYS 75 -11.885 6.426 -8.829 649 H LYS 76 H LYS 76 -6.416 11.130 -5.151 650 HA LYS 76 HA LYS 76 -6.994 13.919 -4.904 651 HB2 LYS 76 2HB LYS 76 -6.342 11.865 -2.799 652 HB3 LYS 76 1HB LYS 76 -6.800 13.525 -2.460 653 HG2 LYS 76 2HG LYS 76 -8.973 13.160 -3.524 654 HG3 LYS 76 1HG LYS 76 -8.508 11.508 -3.912 655 HD2 LYS 76 2HD LYS 76 -9.947 11.557 -1.940 656 HD3 LYS 76 1HD LYS 76 -8.337 10.985 -1.522 657 HE2 LYS 76 2HE LYS 76 -9.215 12.532 0.164 658 HE3 LYS 76 1HE LYS 76 -7.774 13.182 -0.603 659 HZ1 LYS 76 3HZ LYS 76 -10.592 13.974 -1.170 660 HZ2 LYS 76 1HZ LYS 76 -9.252 14.545 -2.010 661 HZ3 LYS 76 2HZ LYS 76 -9.415 14.900 -0.396 662 H ILE 77 H ILE 77 -4.081 11.980 -4.115 663 HA ILE 77 HA ILE 77 -2.713 14.562 -3.844 664 HB ILE 77 HB ILE 77 -1.207 13.569 -2.132 665 HG12 ILE 77 2HG1 ILE 77 -3.211 11.294 -2.131 666 HG13 ILE 77 1HG1 ILE 77 -1.550 11.183 -2.694 667 HG21 ILE 77 1HG2 ILE 77 -3.066 14.979 -1.473 668 HG22 ILE 77 2HG2 ILE 77 -2.806 13.707 -0.282 669 HG23 ILE 77 3HG2 ILE 77 -4.139 13.578 -1.428 670 HD11 ILE 77 3HD1 ILE 77 -0.766 11.659 -0.417 671 HD12 ILE 77 1HD1 ILE 77 -1.788 10.222 -0.475 672 HD13 ILE 77 2HD1 ILE 77 -2.438 11.748 0.127 673 H GLY 78 H GLY 78 -2.464 11.297 -5.048 674 HA2 GLY 78 2HA GLY 78 -1.124 11.237 -7.173 675 HA3 GLY 78 1HA GLY 78 0.146 12.019 -6.233 676 H ILE 79 H ILE 79 0.097 9.386 -7.620 677 HA ILE 79 HA ILE 79 -0.248 7.327 -5.721 678 HB ILE 79 HB ILE 79 -0.347 6.863 -8.164 679 HG12 ILE 79 2HG1 ILE 79 1.007 4.763 -8.186 680 HG13 ILE 79 1HG1 ILE 79 1.802 5.308 -6.714 681 HG21 ILE 79 1HG2 ILE 79 1.441 8.312 -8.953 682 HG22 ILE 79 2HG2 ILE 79 1.683 6.657 -9.505 683 HG23 ILE 79 3HG2 ILE 79 2.635 7.285 -8.161 684 HD11 ILE 79 3HD1 ILE 79 -1.142 4.751 -6.992 685 HD12 ILE 79 1HD1 ILE 79 -0.302 5.205 -5.512 686 HD13 ILE 79 2HD1 ILE 79 0.045 3.658 -6.285 687 H GLU 80 H GLU 80 2.626 9.171 -6.609 688 HA GLU 80 HA GLU 80 4.482 7.557 -5.240 689 HB2 GLU 80 2HB GLU 80 4.553 10.472 -5.907 690 HB3 GLU 80 1HB GLU 80 5.870 9.650 -5.096 691 HG2 GLU 80 2HG GLU 80 5.983 8.108 -7.072 692 HG3 GLU 80 1HG GLU 80 4.813 9.163 -7.870 693 H ASN 81 H ASN 81 2.486 10.167 -4.196 694 HA ASN 81 HA ASN 81 3.570 10.503 -1.601 695 HB2 ASN 81 2HB ASN 81 0.799 11.077 -2.669 696 HB3 ASN 81 1HB ASN 81 1.315 11.504 -1.044 697 HD21 ASN 81 1HD2 ASN 81 2.700 13.211 -0.760 698 HD22 ASN 81 2HD2 ASN 81 3.082 14.326 -2.018 699 H VAL 82 H VAL 82 0.877 8.621 -2.852 700 HA VAL 82 HA VAL 82 0.062 7.570 -0.363 701 HB VAL 82 HB VAL 82 -0.351 6.255 -3.063 702 HG11 VAL 82 1HG1 VAL 82 -1.927 6.167 -0.483 703 HG12 VAL 82 2HG1 VAL 82 -0.953 4.857 -1.148 704 HG13 VAL 82 3HG1 VAL 82 -2.413 5.391 -1.986 705 HG21 VAL 82 3HG2 VAL 82 -1.050 8.571 -3.187 706 HG22 VAL 82 1HG2 VAL 82 -2.004 8.376 -1.718 707 HG23 VAL 82 2HG2 VAL 82 -2.451 7.501 -3.184 708 H ASN 83 H ASN 83 2.120 6.313 -2.911 709 HA ASN 83 HA ASN 83 2.764 3.770 -2.073 710 HB2 ASN 83 2HB ASN 83 3.454 4.822 -4.210 711 HB3 ASN 83 1HB ASN 83 4.553 5.871 -3.345 712 HD21 ASN 83 1HD2 ASN 83 5.104 4.120 -5.531 713 HD22 ASN 83 2HD2 ASN 83 6.261 2.963 -5.005 714 H GLN 84 H GLN 84 4.361 6.770 -1.231 715 HA GLN 84 HA GLN 84 6.310 5.679 0.523 716 HB2 GLN 84 2HB GLN 84 6.150 7.985 -0.720 717 HB3 GLN 84 1HB GLN 84 5.286 8.490 0.718 718 HG2 GLN 84 2HG GLN 84 8.122 7.464 0.629 719 HG3 GLN 84 1HG GLN 84 7.650 9.149 0.759 720 HE21 GLN 84 1HE2 GLN 84 8.094 6.173 2.372 721 HE22 GLN 84 2HE2 GLN 84 7.794 6.734 3.981 722 H LEU 85 H LEU 85 3.133 7.190 1.048 723 HA LEU 85 HA LEU 85 3.285 7.166 3.860 724 HB2 LEU 85 2HB LEU 85 0.832 7.259 2.107 725 HB3 LEU 85 1HB LEU 85 0.848 7.588 3.827 726 HG LEU 85 HG LEU 85 2.200 9.210 1.677 727 HD11 LEU 85 1HD1 LEU 85 -0.100 9.878 3.486 728 HD12 LEU 85 2HD1 LEU 85 -0.210 9.512 1.770 729 HD13 LEU 85 3HD1 LEU 85 0.639 10.957 2.308 730 HD21 LEU 85 3HD2 LEU 85 2.798 10.774 3.473 731 HD22 LEU 85 1HD2 LEU 85 3.584 9.211 3.674 732 HD23 LEU 85 2HD2 LEU 85 2.187 9.626 4.666 733 H ILE 86 H ILE 86 2.091 4.771 1.587 734 HA ILE 86 HA ILE 86 0.974 3.027 3.514 735 HB ILE 86 HB ILE 86 2.196 2.350 0.811 736 HG12 ILE 86 2HG1 ILE 86 0.316 3.866 0.555 737 HG13 ILE 86 1HG1 ILE 86 -0.148 2.266 -0.005 738 HG21 ILE 86 1HG2 ILE 86 2.111 0.354 2.184 739 HG22 ILE 86 2HG2 ILE 86 0.909 0.258 0.895 740 HG23 ILE 86 3HG2 ILE 86 0.407 0.643 2.539 741 HD11 ILE 86 3HD1 ILE 86 -0.916 3.553 2.614 742 HD12 ILE 86 1HD1 ILE 86 -1.339 1.909 2.129 743 HD13 ILE 86 2HD1 ILE 86 -1.954 3.286 1.217 744 H LEU 87 H LEU 87 4.214 3.293 2.128 745 HA LEU 87 HA LEU 87 5.370 1.120 3.478 746 HB2 LEU 87 2HB LEU 87 6.631 3.677 2.494 747 HB3 LEU 87 1HB LEU 87 7.543 2.303 3.073 748 HG LEU 87 HG LEU 87 5.758 2.338 0.639 749 HD11 LEU 87 1HD1 LEU 87 7.832 3.585 0.315 750 HD12 LEU 87 2HD1 LEU 87 7.851 2.072 -0.598 751 HD13 LEU 87 3HD1 LEU 87 8.761 2.203 0.901 752 HD21 LEU 87 3HD2 LEU 87 6.698 0.100 0.213 753 HD22 LEU 87 1HD2 LEU 87 5.739 0.154 1.695 754 HD23 LEU 87 2HD2 LEU 87 7.501 0.167 1.784 755 H THR 88 H THR 88 5.047 4.469 4.354 756 HA THR 88 HA THR 88 6.466 4.447 6.778 757 HB THR 88 HB THR 88 4.108 6.217 6.033 758 HG1 THR 88 1HG THR 88 5.671 6.383 4.414 759 HG21 THR 88 3HG2 THR 88 5.165 7.858 7.513 760 HG22 THR 88 1HG2 THR 88 6.463 6.716 7.872 761 HG23 THR 88 2HG2 THR 88 4.816 6.372 8.394 762 H THR 89 H THR 89 3.223 3.498 5.981 763 HA THR 89 HA THR 89 2.153 3.409 8.584 764 HB THR 89 HB THR 89 1.320 2.126 5.989 765 HG1 THR 89 1HG THR 89 1.172 4.291 5.827 766 HG21 THR 89 3HG2 THR 89 -0.889 1.855 6.991 767 HG22 THR 89 1HG2 THR 89 -0.294 2.484 8.523 768 HG23 THR 89 2HG2 THR 89 0.305 0.940 7.916 769 H ILE 90 H ILE 90 3.611 0.924 6.490 770 HA ILE 90 HA ILE 90 3.204 -1.050 8.561 771 HB ILE 90 HB ILE 90 4.347 -2.657 7.031 772 HG12 ILE 90 2HG1 ILE 90 4.293 -0.386 5.024 773 HG13 ILE 90 1HG1 ILE 90 5.745 -0.936 5.850 774 HG21 ILE 90 1HG2 ILE 90 1.938 -2.441 7.029 775 HG22 ILE 90 2HG2 ILE 90 2.522 -2.743 5.391 776 HG23 ILE 90 3HG2 ILE 90 2.038 -1.117 5.869 777 HD11 ILE 90 3HD1 ILE 90 4.040 -2.584 3.994 778 HD12 ILE 90 1HD1 ILE 90 5.518 -3.108 4.805 779 HD13 ILE 90 2HD1 ILE 90 5.591 -1.827 3.597 780 H LYS 91 H LYS 91 5.898 0.707 7.162 781 HA LYS 91 HA LYS 91 7.766 -0.559 9.015 782 HB2 LYS 91 2HB LYS 91 8.245 -0.309 6.546 783 HB3 LYS 91 1HB LYS 91 8.220 1.426 6.781 784 HG2 LYS 91 2HG LYS 91 10.483 0.763 6.730 785 HG3 LYS 91 1HG LYS 91 10.106 1.113 8.419 786 HD2 LYS 91 2HD LYS 91 9.799 -1.268 8.851 787 HD3 LYS 91 1HD LYS 91 10.118 -1.613 7.152 788 HE2 LYS 91 2HE LYS 91 12.068 -0.320 9.064 789 HE3 LYS 91 1HE LYS 91 12.100 -2.016 8.574 790 HZ1 LYS 91 3HZ LYS 91 12.563 0.357 6.827 791 HZ2 LYS 91 1HZ LYS 91 12.457 -1.245 6.264 792 HZ3 LYS 91 2HZ LYS 91 13.667 -0.809 7.298 793 H LEU 92 H LEU 92 7.894 0.540 10.935 794 HA LEU 92 HA LEU 92 6.948 3.228 11.022 795 HB2 LEU 92 2HB LEU 92 8.191 1.565 13.210 796 HB3 LEU 92 1HB LEU 92 7.541 3.174 13.438 797 HG LEU 92 HG LEU 92 5.967 0.719 12.665 798 HD11 LEU 92 1HD1 LEU 92 4.914 1.023 14.847 799 HD12 LEU 92 2HD1 LEU 92 6.009 2.363 15.188 800 HD13 LEU 92 3HD1 LEU 92 6.647 0.728 14.987 801 HD21 LEU 92 3HD2 LEU 92 3.989 2.173 12.927 802 HD22 LEU 92 1HD2 LEU 92 5.013 2.680 11.584 803 HD23 LEU 92 2HD2 LEU 92 5.055 3.563 13.109 804 H GLU 93 H GLU 93 8.269 4.137 9.572 805 HA GLU 93 HA GLU 93 10.965 4.791 10.484 806 HB2 GLU 93 2HB GLU 93 10.925 3.525 8.380 807 HB3 GLU 93 1HB GLU 93 9.792 4.670 7.689 808 HG2 GLU 93 2HG GLU 93 12.068 4.981 6.839 809 HG3 GLU 93 1HG GLU 93 11.484 6.400 7.703 810 H HIS 94 H HIS 94 11.615 6.959 10.141 811 HA HIS 94 HA HIS 94 9.659 8.967 9.543 812 HB2 HIS 94 2HB HIS 94 9.159 8.419 11.925 813 HB3 HIS 94 1HB HIS 94 10.828 8.789 12.331 814 HD1 HIS 94 1HD HIS 94 7.543 10.375 11.621 815 HD2 HIS 94 2HD HIS 94 11.456 11.560 12.335 816 HE1 HIS 94 1HE HIS 94 7.425 12.815 12.157 817 HE2 HIS 94 2HE HIS 94 9.816 13.536 12.217 818 H HIS 95 H HIS 95 10.877 10.102 8.168 819 HA HIS 95 HA HIS 95 12.466 11.469 7.317 820 HB2 HIS 95 2HB HIS 95 12.374 12.573 9.556 821 HB3 HIS 95 1HB HIS 95 13.648 11.514 10.124 822 HD1 HIS 95 1HD HIS 95 15.848 12.697 10.198 823 HD2 HIS 95 2HD HIS 95 13.452 14.138 7.122 824 HE1 HIS 95 1HE HIS 95 17.122 14.573 9.179 825 HE2 HIS 95 2HE HIS 95 15.602 15.532 7.437 826 H HIS 96 H HIS 96 12.906 8.478 8.007 827 HA HIS 96 HA HIS 96 14.246 6.801 7.460 828 HB2 HIS 96 2HB HIS 96 14.537 7.954 5.251 829 HB3 HIS 96 1HB HIS 96 15.947 8.771 5.912 830 HD1 HIS 96 1HD HIS 96 18.136 7.552 5.769 831 HD2 HIS 96 2HD HIS 96 14.898 5.046 5.101 832 HE1 HIS 96 1HE HIS 96 19.117 5.361 5.095 833 HE2 HIS 96 2HE HIS 96 17.147 3.985 4.404 834 H HIS 97 H HIS 97 15.289 5.851 8.923 835 HA HIS 97 HA HIS 97 17.938 6.411 9.701 836 HB2 HIS 97 2HB HIS 97 16.961 8.347 10.840 837 HB3 HIS 97 1HB HIS 97 15.866 7.290 11.726 838 HD1 HIS 97 1HD HIS 97 16.687 6.496 13.934 839 HD2 HIS 97 2HD HIS 97 19.762 7.934 11.553 840 HE1 HIS 97 1HE HIS 97 18.711 6.494 15.392 841 HE2 HIS 97 2HE HIS 97 20.577 6.965 13.798 842 H HIS 98 H HIS 98 14.925 4.774 10.152 843 HA HIS 98 HA HIS 98 15.780 3.207 12.382 844 HB2 HIS 98 2HB HIS 98 13.353 3.050 10.608 845 HB3 HIS 98 1HB HIS 98 13.648 1.931 11.930 846 HD1 HIS 98 1HD HIS 98 12.989 5.574 11.260 847 HD2 HIS 98 2HD HIS 98 12.947 2.895 14.426 848 HE1 HIS 98 1HE HIS 98 11.943 6.815 13.176 849 HE2 HIS 98 2HE HIS 98 11.528 5.024 14.846 850 H HIS 99 H HIS 99 17.291 1.795 12.183 851 HA HIS 99 HA HIS 99 16.958 -0.288 10.245 852 HB2 HIS 99 2HB HIS 99 19.373 -0.302 9.624 853 HB3 HIS 99 1HB HIS 99 18.590 1.184 9.134 854 HD1 HIS 99 1HD HIS 99 19.116 3.295 10.908 855 HD2 HIS 99 2HD HIS 99 21.694 0.040 10.948 856 HE1 HIS 99 1HE HIS 99 21.226 4.132 11.909 857 HE2 HIS 99 2HE HIS 99 22.837 2.247 11.677
Contact the webmaster for help, if required. Friday, May 10, 2024 6:16:01 AM GMT (wattos1)