NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
539044 | 2lss | 18442 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 5.056 12.061 0.917 2 H2 MET 1 2HT MET 1 5.122 11.098 2.275 3 H3 MET 1 3HT MET 1 6.441 12.027 1.873 4 HA MET 1 HA MET 1 5.308 12.903 3.752 5 HB2 MET 1 2HB MET 1 6.464 14.487 2.275 6 HB3 MET 1 1HB MET 1 5.031 14.630 1.274 7 HG2 MET 1 2HG MET 1 5.291 16.574 2.713 8 HG3 MET 1 1HG MET 1 3.834 15.678 3.118 9 HE1 MET 1 2HE MET 1 4.890 17.055 6.580 10 HE2 MET 1 3HE MET 1 3.611 16.932 5.374 11 HE3 MET 1 1HE MET 1 5.054 17.884 5.026 12 H ALA 2 H ALA 2 3.472 11.213 3.780 13 HA ALA 2 HA ALA 2 1.109 12.693 4.201 14 HB1 ALA 2 1HB ALA 2 -0.334 11.272 2.746 15 HB2 ALA 2 2HB ALA 2 1.145 10.581 2.034 16 HB3 ALA 2 3HB ALA 2 0.783 12.284 1.836 17 H THR 3 H THR 3 -0.058 11.664 5.843 18 HA THR 3 HA THR 3 0.855 8.964 6.533 19 HB THR 3 HB THR 3 0.611 9.673 8.961 20 HG1 THR 3 1HG THR 3 1.105 12.271 8.039 21 HG21 THR 3 3HG2 THR 3 2.816 10.953 7.323 22 HG22 THR 3 1HG2 THR 3 2.814 9.303 7.948 23 HG23 THR 3 2HG2 THR 3 2.874 10.667 9.064 24 H ASN 4 H ASN 4 -0.582 7.669 7.687 25 HA ASN 4 HA ASN 4 -2.602 6.730 8.281 26 HB2 ASN 4 2HB ASN 4 -3.397 9.614 8.840 27 HB3 ASN 4 1HB ASN 4 -4.222 8.186 9.451 28 HD21 ASN 4 1HD2 ASN 4 -3.218 6.979 11.110 29 HD22 ASN 4 2HD2 ASN 4 -1.928 7.625 12.047 30 H ILE 5 H ILE 5 -2.268 7.049 5.635 31 HA ILE 5 HA ILE 5 -4.381 8.457 4.314 32 HB ILE 5 HB ILE 5 -2.468 6.383 3.270 33 HG12 ILE 5 2HG1 ILE 5 -2.288 9.389 3.380 34 HG13 ILE 5 1HG1 ILE 5 -1.296 8.176 4.206 35 HG21 ILE 5 1HG2 ILE 5 -4.383 6.647 1.807 36 HG22 ILE 5 2HG2 ILE 5 -2.928 7.298 1.060 37 HG23 ILE 5 3HG2 ILE 5 -4.140 8.400 1.748 38 HD11 ILE 5 3HD1 ILE 5 -0.443 7.403 2.123 39 HD12 ILE 5 1HD1 ILE 5 -0.160 9.136 2.310 40 HD13 ILE 5 2HD1 ILE 5 -1.464 8.560 1.257 41 H VAL 6 H VAL 6 -6.048 7.616 3.171 42 HA VAL 6 HA VAL 6 -7.074 5.039 4.019 43 HB VAL 6 HB VAL 6 -8.326 7.304 2.466 44 HG11 VAL 6 1HG1 VAL 6 -9.202 5.235 1.692 45 HG12 VAL 6 2HG1 VAL 6 -10.453 6.062 2.630 46 HG13 VAL 6 3HG1 VAL 6 -9.560 4.688 3.325 47 HG21 VAL 6 3HG2 VAL 6 -8.838 6.302 5.257 48 HG22 VAL 6 1HG2 VAL 6 -9.746 7.580 4.446 49 HG23 VAL 6 2HG2 VAL 6 -8.034 7.813 4.813 50 H GLY 7 H GLY 7 -7.139 3.389 2.617 51 HA2 GLY 7 2HA GLY 7 -7.940 3.764 0.086 52 HA3 GLY 7 1HA GLY 7 -6.259 3.440 -0.116 53 H LYS 8 H LYS 8 -7.671 1.835 -1.277 54 HA LYS 8 HA LYS 8 -8.003 -0.533 0.399 55 HB2 LYS 8 2HB LYS 8 -10.093 0.227 -0.523 56 HB3 LYS 8 1HB LYS 8 -9.388 0.350 -2.124 57 HG2 LYS 8 2HG LYS 8 -9.136 -2.043 -2.241 58 HG3 LYS 8 1HG LYS 8 -9.764 -2.220 -0.599 59 HD2 LYS 8 2HD LYS 8 -11.291 -0.988 -2.890 60 HD3 LYS 8 1HD LYS 8 -11.469 -2.673 -2.389 61 HE2 LYS 8 2HE LYS 8 -12.240 -1.965 -0.204 62 HE3 LYS 8 1HE LYS 8 -11.962 -0.276 -0.608 63 HZ1 LYS 8 3HZ LYS 8 -13.930 -2.048 -1.958 64 HZ2 LYS 8 1HZ LYS 8 -13.637 -0.402 -2.269 65 HZ3 LYS 8 2HZ LYS 8 -14.265 -0.876 -0.785 66 H VAL 9 H VAL 9 -7.011 -2.358 -0.311 67 HA VAL 9 HA VAL 9 -4.725 -2.175 -1.922 68 HB VAL 9 HB VAL 9 -6.312 -4.703 -1.252 69 HG11 VAL 9 1HG1 VAL 9 -4.752 -5.099 -3.076 70 HG12 VAL 9 2HG1 VAL 9 -4.182 -5.885 -1.593 71 HG13 VAL 9 3HG1 VAL 9 -3.443 -4.381 -2.135 72 HG21 VAL 9 3HG2 VAL 9 -3.980 -3.434 0.181 73 HG22 VAL 9 1HG2 VAL 9 -4.716 -4.985 0.586 74 HG23 VAL 9 2HG2 VAL 9 -5.645 -3.496 0.758 75 H LYS 10 H LYS 10 -4.728 -1.654 -3.928 76 HA LYS 10 HA LYS 10 -6.971 -1.790 -5.653 77 HB2 LYS 10 2HB LYS 10 -5.244 -0.039 -5.638 78 HB3 LYS 10 1HB LYS 10 -4.055 -1.220 -6.118 79 HG2 LYS 10 2HG LYS 10 -5.212 -1.463 -8.266 80 HG3 LYS 10 1HG LYS 10 -6.372 -0.235 -7.743 81 HD2 LYS 10 2HD LYS 10 -4.589 1.381 -7.441 82 HD3 LYS 10 1HD LYS 10 -3.402 0.159 -7.885 83 HE2 LYS 10 2HE LYS 10 -3.769 1.624 -9.633 84 HE3 LYS 10 1HE LYS 10 -4.366 0.025 -10.096 85 HZ1 LYS 10 3HZ LYS 10 -5.953 2.454 -9.396 86 HZ2 LYS 10 1HZ LYS 10 -6.665 0.931 -9.443 87 HZ3 LYS 10 2HZ LYS 10 -5.991 1.595 -10.830 88 H TRP 11 H TRP 11 -3.876 -3.458 -5.393 89 HA TRP 11 HA TRP 11 -4.922 -5.936 -5.966 90 HB2 TRP 11 2HB TRP 11 -3.713 -6.506 -8.019 91 HB3 TRP 11 1HB TRP 11 -4.933 -5.309 -8.342 92 HD1 TRP 11 HD TRP 11 -3.946 -2.797 -9.002 93 HE1 TRP 11 1HE TRP 11 -1.682 -2.120 -10.017 94 HE3 TRP 11 3HE TRP 11 -1.386 -7.037 -8.011 95 HZ2 TRP 11 2HZ TRP 11 0.890 -3.281 -10.347 96 HZ3 TRP 11 3HZ TRP 11 0.991 -7.210 -8.700 97 HH2 TRP 11 HH TRP 11 2.093 -5.372 -9.841 98 H TYR 12 H TYR 12 -3.311 -7.522 -5.823 99 HA TYR 12 HA TYR 12 -0.628 -6.787 -5.063 100 HB2 TYR 12 2HB TYR 12 -1.829 -6.213 -2.979 101 HB3 TYR 12 1HB TYR 12 -2.531 -7.820 -2.936 102 HD1 TYR 12 2HD TYR 12 0.596 -5.891 -2.504 103 HD2 TYR 12 1HD TYR 12 -1.273 -9.690 -2.054 104 HE1 TYR 12 2HE TYR 12 2.491 -6.661 -1.126 105 HE2 TYR 12 1HE TYR 12 0.614 -10.461 -0.678 106 HH TYR 12 HH TYR 12 2.968 -9.939 -0.310 107 H ASN 13 H ASN 13 0.563 -8.351 -5.837 108 HA ASN 13 HA ASN 13 -0.572 -11.046 -5.796 109 HB2 ASN 13 2HB ASN 13 1.417 -9.878 -7.753 110 HB3 ASN 13 1HB ASN 13 1.097 -11.602 -7.629 111 HD21 ASN 13 1HD2 ASN 13 -0.890 -12.401 -8.319 112 HD22 ASN 13 2HD2 ASN 13 -1.974 -11.489 -9.293 113 H SER 14 H SER 14 0.121 -12.155 -4.205 114 HA SER 14 HA SER 14 2.249 -11.499 -2.571 115 HB2 SER 14 2HB SER 14 1.848 -13.787 -1.620 116 HB3 SER 14 1HB SER 14 0.411 -12.769 -1.737 117 HG SER 14 HG SER 14 -0.341 -14.479 -2.704 118 H THR 15 H THR 15 2.212 -13.359 -5.492 119 HA THR 15 HA THR 15 4.427 -14.988 -5.215 120 HB THR 15 HB THR 15 3.591 -13.524 -7.730 121 HG1 THR 15 1HG THR 15 2.544 -15.781 -6.367 122 HG21 THR 15 3HG2 THR 15 5.694 -14.807 -7.902 123 HG22 THR 15 1HG2 THR 15 4.414 -15.575 -8.841 124 HG23 THR 15 2HG2 THR 15 4.880 -16.232 -7.270 125 H LYS 16 H LYS 16 4.238 -11.534 -5.998 126 HA LYS 16 HA LYS 16 7.201 -11.446 -6.032 127 HB2 LYS 16 2HB LYS 16 5.252 -9.447 -7.167 128 HB3 LYS 16 1HB LYS 16 7.001 -9.370 -7.258 129 HG2 LYS 16 2HG LYS 16 7.025 -11.340 -8.677 130 HG3 LYS 16 1HG LYS 16 5.261 -11.446 -8.570 131 HD2 LYS 16 2HD LYS 16 5.090 -9.194 -9.541 132 HD3 LYS 16 1HD LYS 16 6.842 -9.138 -9.690 133 HE2 LYS 16 2HE LYS 16 6.763 -11.071 -11.191 134 HE3 LYS 16 1HE LYS 16 5.008 -11.105 -11.040 135 HZ1 LYS 16 3HZ LYS 16 4.937 -8.868 -11.983 136 HZ2 LYS 16 1HZ LYS 16 5.667 -9.955 -13.044 137 HZ3 LYS 16 2HZ LYS 16 6.602 -8.869 -12.164 138 H ASN 17 H ASN 17 4.471 -10.733 -4.254 139 HA ASN 17 HA ASN 17 3.927 -9.486 -2.470 140 HB2 ASN 17 2HB ASN 17 6.929 -9.183 -2.143 141 HB3 ASN 17 1HB ASN 17 5.730 -8.630 -0.973 142 HD21 ASN 17 1HD2 ASN 17 7.384 -11.320 -2.286 143 HD22 ASN 17 2HD2 ASN 17 6.773 -12.512 -1.191 144 H PHE 18 H PHE 18 4.198 -8.251 -5.102 145 HA PHE 18 HA PHE 18 4.406 -5.468 -4.201 146 HB2 PHE 18 2HB PHE 18 4.809 -6.529 -7.009 147 HB3 PHE 18 1HB PHE 18 4.795 -4.832 -6.563 148 HD1 PHE 18 1HD PHE 18 6.511 -4.474 -4.389 149 HD2 PHE 18 2HD PHE 18 6.866 -7.308 -7.539 150 HE1 PHE 18 1HE PHE 18 8.949 -4.558 -4.043 151 HE2 PHE 18 2HE PHE 18 9.294 -7.404 -7.192 152 HZ PHE 18 HZ PHE 18 10.339 -6.026 -5.442 153 H GLY 19 H GLY 19 2.900 -3.992 -5.163 154 HA2 GLY 19 2HA GLY 19 0.786 -4.716 -6.794 155 HA3 GLY 19 1HA GLY 19 0.279 -4.888 -5.113 156 H PHE 20 H PHE 20 -1.187 -3.167 -5.833 157 HA PHE 20 HA PHE 20 0.008 -0.587 -5.213 158 HB2 PHE 20 2HB PHE 20 -1.729 -1.190 -7.569 159 HB3 PHE 20 1HB PHE 20 -1.743 0.397 -6.805 160 HD1 PHE 20 1HD PHE 20 0.476 -2.084 -8.481 161 HD2 PHE 20 2HD PHE 20 -0.099 1.979 -7.390 162 HE1 PHE 20 1HE PHE 20 2.410 -1.444 -9.857 163 HE2 PHE 20 2HE PHE 20 1.835 2.628 -8.761 164 HZ PHE 20 HZ PHE 20 3.093 0.913 -10.001 165 H ILE 21 H ILE 21 -1.714 1.032 -4.778 166 HA ILE 21 HA ILE 21 -4.054 -0.110 -3.438 167 HB ILE 21 HB ILE 21 -2.088 1.796 -2.085 168 HG12 ILE 21 2HG1 ILE 21 -2.709 -1.095 -1.440 169 HG13 ILE 21 1HG1 ILE 21 -1.238 -0.525 -2.206 170 HG21 ILE 21 1HG2 ILE 21 -4.364 2.260 -1.457 171 HG22 ILE 21 2HG2 ILE 21 -3.491 1.516 -0.110 172 HG23 ILE 21 3HG2 ILE 21 -4.624 0.562 -1.065 173 HD11 ILE 21 3HD1 ILE 21 -2.146 0.223 0.568 174 HD12 ILE 21 1HD1 ILE 21 -0.650 0.724 -0.210 175 HD13 ILE 21 2HD1 ILE 21 -0.911 -0.977 0.184 176 H GLU 22 H GLU 22 -5.832 1.271 -3.600 177 HA GLU 22 HA GLU 22 -5.356 4.071 -4.200 178 HB2 GLU 22 2HB GLU 22 -6.868 4.155 -6.062 179 HB3 GLU 22 1HB GLU 22 -5.770 2.831 -6.414 180 HG2 GLU 22 2HG GLU 22 -7.526 1.236 -5.593 181 HG3 GLU 22 1HG GLU 22 -8.552 2.661 -5.344 182 H GLN 23 H GLN 23 -6.940 5.292 -3.152 183 HA GLN 23 HA GLN 23 -8.801 3.702 -1.604 184 HB2 GLN 23 2HB GLN 23 -9.568 5.775 -0.548 185 HB3 GLN 23 1HB GLN 23 -7.823 5.661 -0.484 186 HG2 GLN 23 2HG GLN 23 -7.685 7.165 -2.360 187 HG3 GLN 23 1HG GLN 23 -9.437 7.316 -2.365 188 HE21 GLN 23 1HE2 GLN 23 -6.550 7.947 -0.589 189 HE22 GLN 23 2HE2 GLN 23 -7.188 9.175 0.422 190 H ASP 24 H ASP 24 -10.990 3.899 -1.641 191 HA ASP 24 HA ASP 24 -12.085 3.615 -4.186 192 HB2 ASP 24 2HB ASP 24 -13.475 4.181 -1.570 193 HB3 ASP 24 1HB ASP 24 -14.246 3.670 -3.054 194 H ASN 25 H ASN 25 -11.484 6.430 -2.375 195 HA ASN 25 HA ASN 25 -13.532 7.998 -3.688 196 HB2 ASN 25 2HB ASN 25 -11.374 8.857 -1.761 197 HB3 ASN 25 1HB ASN 25 -12.635 9.910 -2.384 198 HD21 ASN 25 1HD2 ASN 25 -11.853 7.357 -0.167 199 HD22 ASN 25 2HD2 ASN 25 -13.352 7.361 0.650 200 H GLY 26 H GLY 26 -10.636 6.864 -4.750 201 HA2 GLY 26 2HA GLY 26 -9.966 7.571 -6.953 202 HA3 GLY 26 1HA GLY 26 -10.386 9.211 -6.497 203 H GLY 27 H GLY 27 -8.457 6.792 -4.799 204 HA2 GLY 27 2HA GLY 27 -6.421 8.793 -4.410 205 HA3 GLY 27 1HA GLY 27 -6.341 7.169 -3.754 206 H LYS 28 H LYS 28 -4.205 8.453 -5.049 207 HA LYS 28 HA LYS 28 -4.179 7.540 -7.781 208 HB2 LYS 28 2HB LYS 28 -2.091 9.017 -6.204 209 HB3 LYS 28 1HB LYS 28 -1.951 8.595 -7.907 210 HG2 LYS 28 2HG LYS 28 -4.000 9.869 -8.363 211 HG3 LYS 28 1HG LYS 28 -4.042 10.368 -6.674 212 HD2 LYS 28 2HD LYS 28 -1.880 11.448 -6.946 213 HD3 LYS 28 1HD LYS 28 -1.834 10.910 -8.631 214 HE2 LYS 28 2HE LYS 28 -3.880 12.767 -7.413 215 HE3 LYS 28 1HE LYS 28 -2.569 13.241 -8.490 216 HZ1 LYS 28 3HZ LYS 28 -4.621 13.048 -9.715 217 HZ2 LYS 28 1HZ LYS 28 -4.862 11.478 -9.178 218 HZ3 LYS 28 2HZ LYS 28 -3.599 11.803 -10.222 219 H ASP 29 H ASP 29 -2.109 6.560 -8.594 220 HA ASP 29 HA ASP 29 -2.000 3.959 -7.478 221 HB2 ASP 29 2HB ASP 29 -0.491 5.191 -9.775 222 HB3 ASP 29 1HB ASP 29 -0.245 3.539 -9.246 223 H VAL 30 H VAL 30 -1.203 4.141 -5.490 224 HA VAL 30 HA VAL 30 1.644 4.679 -5.399 225 HB VAL 30 HB VAL 30 0.470 5.990 -3.713 226 HG11 VAL 30 1HG1 VAL 30 -1.576 4.633 -3.508 227 HG12 VAL 30 2HG1 VAL 30 -0.807 5.107 -1.987 228 HG13 VAL 30 3HG1 VAL 30 -0.617 3.446 -2.573 229 HG21 VAL 30 3HG2 VAL 30 1.845 3.644 -2.467 230 HG22 VAL 30 1HG2 VAL 30 1.454 5.154 -1.652 231 HG23 VAL 30 2HG2 VAL 30 2.584 5.153 -3.010 232 H PHE 31 H PHE 31 2.995 3.041 -5.280 233 HA PHE 31 HA PHE 31 1.799 0.431 -5.284 234 HB2 PHE 31 2HB PHE 31 4.056 -0.427 -5.904 235 HB3 PHE 31 1HB PHE 31 3.397 0.753 -7.029 236 HD1 PHE 31 2HD PHE 31 4.407 2.976 -7.175 237 HD2 PHE 31 1HD PHE 31 6.055 -0.043 -4.677 238 HE1 PHE 31 2HE PHE 31 6.499 4.242 -7.035 239 HE2 PHE 31 1HE PHE 31 8.163 1.219 -4.544 240 HZ PHE 31 HZ PHE 31 8.385 3.368 -5.725 241 H VAL 32 H VAL 32 2.191 -1.200 -3.956 242 HA VAL 32 HA VAL 32 3.186 -0.332 -1.374 243 HB VAL 32 HB VAL 32 0.890 -1.216 -1.349 244 HG11 VAL 32 1HG1 VAL 32 2.072 -3.804 -2.332 245 HG12 VAL 32 2HG1 VAL 32 0.973 -2.745 -3.218 246 HG13 VAL 32 3HG1 VAL 32 0.414 -3.584 -1.771 247 HG21 VAL 32 3HG2 VAL 32 1.160 -2.951 0.395 248 HG22 VAL 32 1HG2 VAL 32 2.177 -1.536 0.690 249 HG23 VAL 32 2HG2 VAL 32 2.879 -3.009 0.029 250 H HIS 33 H HIS 33 4.919 -1.124 -0.514 251 HA HIS 33 HA HIS 33 6.408 -3.230 -1.970 252 HB2 HIS 33 2HB HIS 33 7.466 -0.967 -1.914 253 HB3 HIS 33 1HB HIS 33 7.450 -1.033 -0.152 254 HD1 HIS 33 1HD HIS 33 8.789 -3.070 -3.029 255 HD2 HIS 33 2HD HIS 33 9.738 -2.076 0.858 256 HE1 HIS 33 1HE HIS 33 10.794 -4.401 -2.468 257 HE2 HIS 33 2HE HIS 33 11.478 -3.648 -0.187 258 H LYS 34 H LYS 34 7.365 -4.905 -0.742 259 HA LYS 34 HA LYS 34 5.801 -5.720 1.380 260 HB2 LYS 34 2HB LYS 34 6.916 -7.443 0.068 261 HB3 LYS 34 1HB LYS 34 8.481 -6.812 0.543 262 HG2 LYS 34 2HG LYS 34 8.330 -7.641 2.697 263 HG3 LYS 34 1HG LYS 34 6.581 -7.774 2.623 264 HD2 LYS 34 2HD LYS 34 6.688 -9.560 1.169 265 HD3 LYS 34 1HD LYS 34 8.454 -9.434 0.980 266 HE2 LYS 34 2HE LYS 34 7.694 -11.268 2.538 267 HE3 LYS 34 1HE LYS 34 8.771 -10.103 3.300 268 HZ1 LYS 34 3HZ LYS 34 7.028 -9.142 4.435 269 HZ2 LYS 34 1HZ LYS 34 6.801 -10.767 4.613 270 HZ3 LYS 34 2HZ LYS 34 5.791 -9.927 3.563 271 H SER 35 H SER 35 8.749 -3.877 1.579 272 HA SER 35 HA SER 35 9.257 -4.109 4.310 273 HB2 SER 35 2HB SER 35 10.678 -2.731 2.794 274 HB3 SER 35 1HB SER 35 9.367 -1.548 2.707 275 HG SER 35 HG SER 35 11.293 -1.787 4.522 276 H ALA 36 H ALA 36 6.552 -2.513 2.781 277 HA ALA 36 HA ALA 36 5.685 -1.055 5.074 278 HB1 ALA 36 1HB ALA 36 4.131 -2.023 2.737 279 HB2 ALA 36 2HB ALA 36 5.099 -0.550 2.753 280 HB3 ALA 36 3HB ALA 36 3.693 -0.719 3.857 281 H VAL 37 H VAL 37 4.944 -4.138 3.562 282 HA VAL 37 HA VAL 37 2.970 -5.002 5.380 283 HB VAL 37 HB VAL 37 4.962 -6.693 3.763 284 HG11 VAL 37 1HG1 VAL 37 2.483 -7.597 5.245 285 HG12 VAL 37 2HG1 VAL 37 4.096 -7.844 5.820 286 HG13 VAL 37 3HG1 VAL 37 3.575 -8.608 4.312 287 HG21 VAL 37 3HG2 VAL 37 3.374 -5.381 2.391 288 HG22 VAL 37 1HG2 VAL 37 2.038 -6.060 3.319 289 HG23 VAL 37 2HG2 VAL 37 3.024 -7.112 2.317 290 H ASP 38 H ASP 38 6.430 -5.429 5.239 291 HA ASP 38 HA ASP 38 6.610 -6.963 7.588 292 HB2 ASP 38 2HB ASP 38 8.785 -5.351 6.251 293 HB3 ASP 38 1HB ASP 38 9.038 -6.529 7.528 294 H ALA 39 H ALA 39 6.346 -3.539 7.097 295 HA ALA 39 HA ALA 39 7.536 -2.624 9.451 296 HB1 ALA 39 1HB ALA 39 6.744 -1.160 7.663 297 HB2 ALA 39 2HB ALA 39 6.088 -0.675 9.230 298 HB3 ALA 39 3HB ALA 39 5.077 -1.553 8.078 299 H ALA 40 H ALA 40 4.433 -4.050 8.870 300 HA ALA 40 HA ALA 40 3.848 -3.970 11.778 301 HB1 ALA 40 1HB ALA 40 1.473 -4.138 11.145 302 HB2 ALA 40 2HB ALA 40 1.952 -4.128 9.441 303 HB3 ALA 40 3HB ALA 40 2.241 -2.710 10.442 304 H GLY 41 H GLY 41 4.621 -5.855 9.152 305 HA2 GLY 41 2HA GLY 41 4.689 -7.992 8.632 306 HA3 GLY 41 1HA GLY 41 4.502 -8.467 10.288 307 H LEU 42 H LEU 42 2.709 -6.909 7.753 308 HA LEU 42 HA LEU 42 0.132 -7.647 8.604 309 HB2 LEU 42 2HB LEU 42 1.224 -5.947 6.737 310 HB3 LEU 42 1HB LEU 42 0.643 -7.247 5.723 311 HG LEU 42 HG LEU 42 -0.949 -5.489 5.780 312 HD11 LEU 42 1HD1 LEU 42 -1.885 -7.829 7.395 313 HD12 LEU 42 2HD1 LEU 42 -1.840 -7.711 5.627 314 HD13 LEU 42 3HD1 LEU 42 -2.924 -6.676 6.559 315 HD21 LEU 42 3HD2 LEU 42 -2.065 -4.769 7.815 316 HD22 LEU 42 1HD2 LEU 42 -0.334 -4.469 7.892 317 HD23 LEU 42 2HD2 LEU 42 -1.036 -5.829 8.777 318 H HIS 43 H HIS 43 -0.888 -9.580 8.299 319 HA HIS 43 HA HIS 43 0.830 -11.711 7.500 320 HB2 HIS 43 2HB HIS 43 -1.971 -11.803 8.593 321 HB3 HIS 43 1HB HIS 43 -1.050 -13.235 8.168 322 HD1 HIS 43 1HD HIS 43 0.424 -14.150 9.951 323 HD2 HIS 43 2HD HIS 43 -0.658 -10.225 10.711 324 HE1 HIS 43 1HE HIS 43 1.264 -13.651 12.276 325 HE2 HIS 43 2HE HIS 43 0.224 -11.431 12.794 326 H SER 44 H SER 44 -1.932 -10.202 5.997 327 HA SER 44 HA SER 44 -1.292 -11.515 3.530 328 HB2 SER 44 2HB SER 44 -3.970 -12.097 4.791 329 HB3 SER 44 1HB SER 44 -3.480 -12.564 3.175 330 HG SER 44 HG SER 44 -1.659 -13.362 4.964 331 H LEU 45 H LEU 45 -2.070 -10.424 1.820 332 HA LEU 45 HA LEU 45 -4.186 -8.424 2.167 333 HB2 LEU 45 2HB LEU 45 -1.689 -7.867 0.559 334 HB3 LEU 45 1HB LEU 45 -3.059 -6.872 0.764 335 HG LEU 45 HG LEU 45 -1.297 -7.528 3.113 336 HD11 LEU 45 1HD1 LEU 45 -1.307 -5.109 1.302 337 HD12 LEU 45 2HD1 LEU 45 -0.028 -6.320 1.391 338 HD13 LEU 45 3HD1 LEU 45 -0.368 -5.291 2.783 339 HD21 LEU 45 3HD2 LEU 45 -3.407 -5.422 2.620 340 HD22 LEU 45 1HD2 LEU 45 -2.441 -5.593 4.085 341 HD23 LEU 45 2HD2 LEU 45 -3.591 -6.850 3.639 342 H GLU 46 H GLU 46 -5.459 -8.270 0.441 343 HA GLU 46 HA GLU 46 -4.620 -9.001 -2.122 344 HB2 GLU 46 2HB GLU 46 -6.343 -10.658 -2.617 345 HB3 GLU 46 1HB GLU 46 -5.307 -11.259 -1.346 346 HG2 GLU 46 2HG GLU 46 -8.071 -10.106 -0.973 347 HG3 GLU 46 1HG GLU 46 -7.692 -11.817 -1.051 348 H GLU 47 H GLU 47 -6.667 -8.648 -3.665 349 HA GLU 47 HA GLU 47 -7.324 -6.042 -3.474 350 HB2 GLU 47 2HB GLU 47 -7.184 -7.652 -5.362 351 HB3 GLU 47 1HB GLU 47 -8.724 -8.295 -4.803 352 HG2 GLU 47 2HG GLU 47 -8.308 -5.481 -5.625 353 HG3 GLU 47 1HG GLU 47 -8.668 -6.800 -6.745 354 H GLY 48 H GLY 48 -8.938 -5.019 -2.566 355 HA2 GLY 48 2HA GLY 48 -11.311 -4.945 -1.910 356 HA3 GLY 48 1HA GLY 48 -11.086 -6.565 -1.264 357 H GLN 49 H GLN 49 -8.538 -5.913 0.007 358 HA GLN 49 HA GLN 49 -9.542 -5.185 2.495 359 HB2 GLN 49 2HB GLN 49 -6.825 -5.589 1.404 360 HB3 GLN 49 1HB GLN 49 -6.995 -4.913 3.003 361 HG2 GLN 49 2HG GLN 49 -8.361 -7.412 2.195 362 HG3 GLN 49 1HG GLN 49 -6.674 -7.469 2.740 363 HE21 GLN 49 1HE2 GLN 49 -9.241 -5.371 4.086 364 HE22 GLN 49 2HE2 GLN 49 -9.318 -6.171 5.595 365 H ASP 50 H ASP 50 -9.945 -3.322 3.356 366 HA ASP 50 HA ASP 50 -8.983 -0.821 2.304 367 HB2 ASP 50 2HB ASP 50 -10.238 -1.467 4.996 368 HB3 ASP 50 1HB ASP 50 -9.796 0.155 4.490 369 H VAL 51 H VAL 51 -7.153 0.208 2.894 370 HA VAL 51 HA VAL 51 -5.730 -0.877 5.136 371 HB VAL 51 HB VAL 51 -4.936 -2.090 3.185 372 HG11 VAL 51 1HG1 VAL 51 -5.255 -0.452 1.430 373 HG12 VAL 51 2HG1 VAL 51 -3.578 -0.979 1.446 374 HG13 VAL 51 3HG1 VAL 51 -4.025 0.577 2.158 375 HG21 VAL 51 3HG2 VAL 51 -2.901 -0.232 4.388 376 HG22 VAL 51 1HG2 VAL 51 -2.520 -1.745 3.549 377 HG23 VAL 51 2HG2 VAL 51 -3.470 -1.760 5.048 378 H ILE 52 H ILE 52 -4.464 0.425 6.056 379 HA ILE 52 HA ILE 52 -4.724 3.300 5.417 380 HB ILE 52 HB ILE 52 -4.389 1.952 8.120 381 HG12 ILE 52 2HG1 ILE 52 -6.900 3.170 6.957 382 HG13 ILE 52 1HG1 ILE 52 -6.541 1.451 6.904 383 HG21 ILE 52 1HG2 ILE 52 -5.009 4.156 9.023 384 HG22 ILE 52 2HG2 ILE 52 -5.097 4.802 7.385 385 HG23 ILE 52 3HG2 ILE 52 -3.549 4.263 8.036 386 HD11 ILE 52 3HD1 ILE 52 -6.493 1.413 9.331 387 HD12 ILE 52 1HD1 ILE 52 -8.047 1.918 8.679 388 HD13 ILE 52 2HD1 ILE 52 -6.940 3.128 9.370 389 H PHE 53 H PHE 53 -2.753 4.238 5.022 390 HA PHE 53 HA PHE 53 -0.357 2.932 6.085 391 HB2 PHE 53 2HB PHE 53 0.711 3.030 3.864 392 HB3 PHE 53 1HB PHE 53 -0.523 1.808 3.911 393 HD1 PHE 53 1HD PHE 53 -2.780 2.393 2.822 394 HD2 PHE 53 2HD PHE 53 0.711 4.790 2.324 395 HE1 PHE 53 1HE PHE 53 -3.749 3.399 0.814 396 HE2 PHE 53 2HE PHE 53 -0.265 5.784 0.317 397 HZ PHE 53 HZ PHE 53 -2.485 5.094 -0.443 398 H ASP 54 H ASP 54 1.630 4.222 5.193 399 HA ASP 54 HA ASP 54 0.943 7.054 5.171 400 HB2 ASP 54 2HB ASP 54 3.479 5.751 6.222 401 HB3 ASP 54 1HB ASP 54 3.201 7.481 6.118 402 H LEU 55 H LEU 55 2.509 8.245 3.852 403 HA LEU 55 HA LEU 55 3.568 6.538 1.754 404 HB2 LEU 55 2HB LEU 55 1.400 7.171 0.999 405 HB3 LEU 55 1HB LEU 55 1.731 8.820 1.491 406 HG LEU 55 HG LEU 55 3.064 9.237 -0.431 407 HD11 LEU 55 1HD1 LEU 55 4.295 7.130 -0.358 408 HD12 LEU 55 2HD1 LEU 55 3.731 7.513 -1.967 409 HD13 LEU 55 3HD1 LEU 55 2.892 6.291 -0.998 410 HD21 LEU 55 3HD2 LEU 55 1.560 8.716 -2.251 411 HD22 LEU 55 1HD2 LEU 55 0.640 9.182 -0.826 412 HD23 LEU 55 2HD2 LEU 55 0.752 7.479 -1.296 413 H GLU 56 H GLU 56 5.397 6.949 1.253 414 HA GLU 56 HA GLU 56 6.564 9.618 1.513 415 HB2 GLU 56 2HB GLU 56 7.859 6.952 2.045 416 HB3 GLU 56 1HB GLU 56 8.787 8.413 1.745 417 HG2 GLU 56 2HG GLU 56 6.770 8.098 3.920 418 HG3 GLU 56 1HG GLU 56 8.524 7.866 4.111 419 H GLU 57 H GLU 57 8.242 9.970 0.042 420 HA GLU 57 HA GLU 57 7.388 8.834 -2.498 421 HB2 GLU 57 2HB GLU 57 8.745 11.467 -2.020 422 HB3 GLU 57 1HB GLU 57 8.401 10.806 -3.603 423 HG2 GLU 57 2HG GLU 57 6.745 12.369 -3.189 424 HG3 GLU 57 1HG GLU 57 5.984 10.819 -2.961 425 H LYS 58 H LYS 58 8.731 8.518 -4.094 426 HA LYS 58 HA LYS 58 11.522 7.795 -3.423 427 HB2 LYS 58 2HB LYS 58 10.124 5.770 -3.860 428 HB3 LYS 58 1HB LYS 58 9.629 6.471 -5.387 429 HG2 LYS 58 2HG LYS 58 11.282 4.720 -5.702 430 HG3 LYS 58 1HG LYS 58 11.900 6.284 -6.225 431 HD2 LYS 58 2HD LYS 58 13.150 6.498 -4.140 432 HD3 LYS 58 1HD LYS 58 12.477 4.957 -3.589 433 HE2 LYS 58 2HE LYS 58 13.563 3.806 -5.427 434 HE3 LYS 58 1HE LYS 58 14.186 5.338 -6.031 435 HZ1 LYS 58 3HZ LYS 58 15.825 4.062 -4.780 436 HZ2 LYS 58 1HZ LYS 58 14.886 4.146 -3.393 437 HZ3 LYS 58 2HZ LYS 58 15.565 5.542 -4.068 438 H GLN 59 H GLN 59 12.200 9.831 -4.046 439 HA GLN 59 HA GLN 59 12.825 11.542 -5.345 440 HB2 GLN 59 2HB GLN 59 12.337 9.636 -7.663 441 HB3 GLN 59 1HB GLN 59 13.160 11.187 -7.788 442 HG2 GLN 59 2HG GLN 59 14.920 10.386 -6.314 443 HG3 GLN 59 1HG GLN 59 14.090 8.844 -6.147 444 HE21 GLN 59 1HE2 GLN 59 14.322 10.625 -9.171 445 HE22 GLN 59 2HE2 GLN 59 15.360 9.480 -9.940 446 H GLY 60 H GLY 60 10.418 10.189 -7.556 447 HA2 GLY 60 2HA GLY 60 8.616 12.393 -6.819 448 HA3 GLY 60 1HA GLY 60 8.920 11.997 -8.507 449 H LYS 61 H LYS 61 9.071 9.102 -7.034 450 HA LYS 61 HA LYS 61 6.393 8.407 -7.873 451 HB2 LYS 61 2HB LYS 61 8.670 6.661 -6.985 452 HB3 LYS 61 1HB LYS 61 7.124 6.112 -7.633 453 HG2 LYS 61 2HG LYS 61 7.595 7.303 -9.717 454 HG3 LYS 61 1HG LYS 61 9.140 7.803 -9.017 455 HD2 LYS 61 2HD LYS 61 9.476 5.939 -10.478 456 HD3 LYS 61 1HD LYS 61 9.780 5.519 -8.780 457 HE2 LYS 61 2HE LYS 61 7.641 4.405 -8.630 458 HE3 LYS 61 1HE LYS 61 7.231 4.912 -10.269 459 HZ1 LYS 61 3HZ LYS 61 9.027 3.549 -11.105 460 HZ2 LYS 61 1HZ LYS 61 7.976 2.599 -10.196 461 HZ3 LYS 61 2HZ LYS 61 9.454 3.068 -9.542 462 H ALA 62 H ALA 62 5.219 6.725 -6.437 463 HA ALA 62 HA ALA 62 5.378 7.652 -3.649 464 HB1 ALA 62 1HB ALA 62 3.524 8.696 -4.811 465 HB2 ALA 62 2HB ALA 62 2.879 7.520 -3.655 466 HB3 ALA 62 3HB ALA 62 2.960 7.129 -5.360 467 H TYR 63 H TYR 63 5.726 5.994 -2.224 468 HA TYR 63 HA TYR 63 4.561 3.393 -2.878 469 HB2 TYR 63 2HB TYR 63 6.450 2.275 -1.716 470 HB3 TYR 63 1HB TYR 63 6.879 3.063 -3.219 471 HD1 TYR 63 2HD TYR 63 8.245 5.145 -3.132 472 HD2 TYR 63 1HD TYR 63 7.389 2.935 0.380 473 HE1 TYR 63 2HE TYR 63 10.038 6.341 -1.939 474 HE2 TYR 63 1HE TYR 63 9.182 4.130 1.575 475 HH TYR 63 HH TYR 63 10.633 6.915 0.266 476 H ALA 64 H ALA 64 3.501 2.430 -1.423 477 HA ALA 64 HA ALA 64 2.678 3.827 1.040 478 HB1 ALA 64 1HB ALA 64 1.085 2.021 1.248 479 HB2 ALA 64 2HB ALA 64 1.850 1.139 -0.073 480 HB3 ALA 64 3HB ALA 64 1.032 2.674 -0.386 481 H VAL 65 H VAL 65 3.188 3.456 2.976 482 HA VAL 65 HA VAL 65 4.717 1.086 3.699 483 HB VAL 65 HB VAL 65 6.285 2.425 5.082 484 HG11 VAL 65 1HG1 VAL 65 7.036 1.708 2.904 485 HG12 VAL 65 2HG1 VAL 65 7.711 3.286 3.304 486 HG13 VAL 65 3HG1 VAL 65 6.354 3.163 2.179 487 HG21 VAL 65 3HG2 VAL 65 5.078 4.822 3.695 488 HG22 VAL 65 1HG2 VAL 65 6.517 4.848 4.720 489 HG23 VAL 65 2HG2 VAL 65 4.948 4.424 5.407 490 H ASN 66 H ASN 66 4.851 0.919 6.135 491 HA ASN 66 HA ASN 66 3.761 0.661 8.098 492 HB2 ASN 66 2HB ASN 66 4.309 3.159 8.182 493 HB3 ASN 66 1HB ASN 66 2.726 3.427 7.555 494 HD21 ASN 66 1HD2 ASN 66 2.215 4.640 9.362 495 HD22 ASN 66 2HD2 ASN 66 1.747 3.916 10.859 496 H LEU 67 H LEU 67 2.406 -0.880 6.688 497 HA LEU 67 HA LEU 67 -0.228 0.099 6.093 498 HB2 LEU 67 2HB LEU 67 0.703 -2.760 5.960 499 HB3 LEU 67 1HB LEU 67 -0.777 -2.102 5.337 500 HG LEU 67 HG LEU 67 1.996 -1.695 4.241 501 HD11 LEU 67 1HD1 LEU 67 0.862 -3.700 3.643 502 HD12 LEU 67 2HD1 LEU 67 0.968 -2.538 2.285 503 HD13 LEU 67 3HD1 LEU 67 -0.540 -2.708 3.195 504 HD21 LEU 67 3HD2 LEU 67 -0.535 -0.262 3.461 505 HD22 LEU 67 1HD2 LEU 67 0.991 -0.243 2.570 506 HD23 LEU 67 2HD2 LEU 67 0.918 0.462 4.180 507 H ARG 68 H ARG 68 -2.063 -0.341 7.024 508 HA ARG 68 HA ARG 68 -2.157 -2.072 9.373 509 HB2 ARG 68 2HB ARG 68 -1.925 0.355 10.097 510 HB3 ARG 68 1HB ARG 68 -3.439 0.689 9.252 511 HG2 ARG 68 2HG ARG 68 -3.825 0.486 11.588 512 HG3 ARG 68 1HG ARG 68 -4.497 -0.938 10.790 513 HD2 ARG 68 2HD ARG 68 -3.253 -1.522 12.810 514 HD3 ARG 68 1HD ARG 68 -2.536 -2.232 11.355 515 HE ARG 68 HE ARG 68 -1.344 0.270 12.062 516 HH11 ARG 68 1HH1 ARG 68 -1.288 -3.188 12.894 517 HH12 ARG 68 2HH1 ARG 68 0.296 -3.146 13.508 518 HH21 ARG 68 1HH2 ARG 68 0.860 0.291 12.920 519 HH22 ARG 68 2HH2 ARG 68 1.537 -1.143 13.510 520 H ILE 69 H ILE 69 -3.992 -3.336 9.252 521 HA ILE 69 HA ILE 69 -5.584 -2.771 6.960 522 HB ILE 69 HB ILE 69 -6.560 -5.153 7.404 523 HG12 ILE 69 2HG1 ILE 69 -4.753 -6.736 8.171 524 HG13 ILE 69 1HG1 ILE 69 -3.820 -5.354 8.705 525 HG21 ILE 69 1HG2 ILE 69 -4.898 -6.045 5.877 526 HG22 ILE 69 2HG2 ILE 69 -3.907 -4.604 6.158 527 HG23 ILE 69 3HG2 ILE 69 -5.505 -4.449 5.416 528 HD11 ILE 69 3HD1 ILE 69 -6.485 -6.217 9.772 529 HD12 ILE 69 1HD1 ILE 69 -5.546 -4.834 10.334 530 HD13 ILE 69 2HD1 ILE 69 -4.915 -6.473 10.548 531 H LYS 70 H LYS 70 -6.984 -1.422 7.222 532 HA LYS 70 HA LYS 70 -8.871 -0.373 7.803 533 HB2 LYS 70 2HB LYS 70 -9.473 -2.292 6.564 534 HB3 LYS 70 1HB LYS 70 -9.798 -3.237 8.005 535 HG2 LYS 70 2HG LYS 70 -11.486 -1.480 8.593 536 HG3 LYS 70 1HG LYS 70 -11.199 -0.858 6.951 537 HD2 LYS 70 2HD LYS 70 -11.778 -3.041 6.005 538 HD3 LYS 70 1HD LYS 70 -12.104 -3.662 7.621 539 HE2 LYS 70 2HE LYS 70 -14.179 -3.133 6.580 540 HE3 LYS 70 1HE LYS 70 -13.852 -1.964 7.857 541 HZ1 LYS 70 3HZ LYS 70 -14.696 -0.939 5.783 542 HZ2 LYS 70 1HZ LYS 70 -13.320 -1.472 4.979 543 HZ3 LYS 70 2HZ LYS 70 -13.192 -0.338 6.225 Start of MODEL 2 1 H1 MET 1 1HT MET 1 5.419 11.387 2.086 2 H2 MET 1 2HT MET 1 6.982 11.564 2.649 3 H3 MET 1 3HT MET 1 6.069 12.957 2.200 4 HA MET 1 HA MET 1 5.570 11.043 4.345 5 HB2 MET 1 2HB MET 1 6.071 12.907 5.911 6 HB3 MET 1 1HB MET 1 7.453 12.411 4.957 7 HG2 MET 1 2HG MET 1 7.161 14.358 3.513 8 HG3 MET 1 1HG MET 1 5.749 14.848 4.449 9 HE1 MET 1 2HE MET 1 8.425 17.529 5.447 10 HE2 MET 1 3HE MET 1 6.809 17.255 4.798 11 HE3 MET 1 1HE MET 1 8.231 16.781 3.865 12 H ALA 2 H ALA 2 3.546 10.638 3.997 13 HA ALA 2 HA ALA 2 1.687 12.738 4.765 14 HB1 ALA 2 1HB ALA 2 0.044 11.809 3.117 15 HB2 ALA 2 2HB ALA 2 1.332 10.793 2.461 16 HB3 ALA 2 3HB ALA 2 1.443 12.544 2.332 17 H THR 3 H THR 3 0.506 11.949 6.459 18 HA THR 3 HA THR 3 0.921 9.124 6.960 19 HB THR 3 HB THR 3 0.656 9.666 9.369 20 HG1 THR 3 1HG THR 3 0.507 11.685 10.023 21 HG21 THR 3 3HG2 THR 3 2.835 11.137 7.891 22 HG22 THR 3 1HG2 THR 3 2.853 9.433 8.335 23 HG23 THR 3 2HG2 THR 3 2.881 10.674 9.592 24 H ASN 4 H ASN 4 -0.582 7.899 7.865 25 HA ASN 4 HA ASN 4 -2.576 6.896 7.865 26 HB2 ASN 4 2HB ASN 4 -3.464 9.505 9.112 27 HB3 ASN 4 1HB ASN 4 -4.445 8.044 9.076 28 HD21 ASN 4 1HD2 ASN 4 -1.699 9.614 10.472 29 HD22 ASN 4 2HD2 ASN 4 -1.416 8.462 11.720 30 H ILE 5 H ILE 5 -2.550 6.760 5.688 31 HA ILE 5 HA ILE 5 -4.383 8.519 4.273 32 HB ILE 5 HB ILE 5 -2.452 6.449 3.246 33 HG12 ILE 5 2HG1 ILE 5 -2.254 9.458 3.455 34 HG13 ILE 5 1HG1 ILE 5 -1.257 8.203 4.196 35 HG21 ILE 5 1HG2 ILE 5 -4.332 6.720 1.741 36 HG22 ILE 5 2HG2 ILE 5 -2.868 7.406 1.036 37 HG23 ILE 5 3HG2 ILE 5 -4.102 8.476 1.714 38 HD11 ILE 5 3HD1 ILE 5 -0.393 7.535 2.153 39 HD12 ILE 5 1HD1 ILE 5 -0.163 9.284 2.321 40 HD13 ILE 5 2HD1 ILE 5 -1.467 8.651 1.284 41 H VAL 6 H VAL 6 -6.092 7.751 3.290 42 HA VAL 6 HA VAL 6 -7.042 5.116 4.062 43 HB VAL 6 HB VAL 6 -8.416 7.397 2.654 44 HG11 VAL 6 1HG1 VAL 6 -9.227 5.259 1.800 45 HG12 VAL 6 2HG1 VAL 6 -10.488 6.072 2.734 46 HG13 VAL 6 3HG1 VAL 6 -9.586 4.707 3.423 47 HG21 VAL 6 3HG2 VAL 6 -8.823 6.194 5.389 48 HG22 VAL 6 1HG2 VAL 6 -9.788 7.498 4.692 49 HG23 VAL 6 2HG2 VAL 6 -8.073 7.750 5.033 50 H GLY 7 H GLY 7 -7.039 3.501 2.724 51 HA2 GLY 7 2HA GLY 7 -7.642 3.946 0.065 52 HA3 GLY 7 1HA GLY 7 -6.030 3.353 0.137 53 H LYS 8 H LYS 8 -7.539 1.907 -1.176 54 HA LYS 8 HA LYS 8 -8.159 -0.378 0.515 55 HB2 LYS 8 2HB LYS 8 -10.186 0.495 -0.500 56 HB3 LYS 8 1HB LYS 8 -9.413 0.518 -2.080 57 HG2 LYS 8 2HG LYS 8 -9.265 -1.883 -2.080 58 HG3 LYS 8 1HG LYS 8 -9.986 -1.963 -0.473 59 HD2 LYS 8 2HD LYS 8 -11.319 -0.794 -2.912 60 HD3 LYS 8 1HD LYS 8 -11.585 -2.438 -2.314 61 HE2 LYS 8 2HE LYS 8 -12.429 -1.530 -0.208 62 HE3 LYS 8 1HE LYS 8 -12.124 0.103 -0.777 63 HZ1 LYS 8 3HZ LYS 8 -14.065 -1.806 -1.993 64 HZ2 LYS 8 1HZ LYS 8 -13.786 -0.225 -2.515 65 HZ3 LYS 8 2HZ LYS 8 -14.449 -0.496 -1.004 66 H VAL 9 H VAL 9 -7.299 -2.274 -0.129 67 HA VAL 9 HA VAL 9 -4.991 -2.201 -1.724 68 HB VAL 9 HB VAL 9 -6.629 -4.609 -0.839 69 HG11 VAL 9 1HG1 VAL 9 -5.199 -5.146 -2.716 70 HG12 VAL 9 2HG1 VAL 9 -4.597 -5.906 -1.242 71 HG13 VAL 9 3HG1 VAL 9 -3.793 -4.466 -1.886 72 HG21 VAL 9 3HG2 VAL 9 -4.172 -3.355 0.388 73 HG22 VAL 9 1HG2 VAL 9 -4.958 -4.838 0.935 74 HG23 VAL 9 2HG2 VAL 9 -5.808 -3.297 1.044 75 H LYS 10 H LYS 10 -4.981 -1.894 -3.736 76 HA LYS 10 HA LYS 10 -7.261 -2.206 -5.445 77 HB2 LYS 10 2HB LYS 10 -5.660 -0.342 -5.497 78 HB3 LYS 10 1HB LYS 10 -4.393 -1.452 -5.920 79 HG2 LYS 10 2HG LYS 10 -5.414 -1.823 -8.095 80 HG3 LYS 10 1HG LYS 10 -6.753 -0.748 -7.648 81 HD2 LYS 10 2HD LYS 10 -5.255 1.102 -7.338 82 HD3 LYS 10 1HD LYS 10 -3.869 0.052 -7.578 83 HE2 LYS 10 2HE LYS 10 -4.263 1.439 -9.405 84 HE3 LYS 10 1HE LYS 10 -4.458 -0.250 -9.874 85 HZ1 LYS 10 3HZ LYS 10 -6.656 1.690 -9.311 86 HZ2 LYS 10 1HZ LYS 10 -6.902 0.078 -9.818 87 HZ3 LYS 10 2HZ LYS 10 -6.185 1.206 -10.851 88 H TRP 11 H TRP 11 -4.094 -3.683 -5.033 89 HA TRP 11 HA TRP 11 -4.933 -6.271 -5.439 90 HB2 TRP 11 2HB TRP 11 -3.762 -6.908 -7.510 91 HB3 TRP 11 1HB TRP 11 -5.101 -5.856 -7.858 92 HD1 TRP 11 HD TRP 11 -4.417 -3.383 -8.836 93 HE1 TRP 11 1HE TRP 11 -2.265 -2.579 -10.009 94 HE3 TRP 11 3HE TRP 11 -1.356 -7.161 -7.498 95 HZ2 TRP 11 2HZ TRP 11 0.402 -3.458 -10.319 96 HZ3 TRP 11 3HZ TRP 11 1.017 -7.137 -8.265 97 HH2 TRP 11 HH TRP 11 1.860 -5.315 -9.647 98 H TYR 12 H TYR 12 -3.130 -7.779 -5.389 99 HA TYR 12 HA TYR 12 -0.538 -6.666 -4.863 100 HB2 TYR 12 2HB TYR 12 -1.672 -6.365 -2.669 101 HB3 TYR 12 1HB TYR 12 -1.986 -8.095 -2.620 102 HD1 TYR 12 2HD TYR 12 0.701 -5.567 -2.654 103 HD2 TYR 12 1HD TYR 12 -0.325 -9.596 -1.810 104 HE1 TYR 12 2HE TYR 12 2.885 -5.882 -1.576 105 HE2 TYR 12 1HE TYR 12 1.863 -9.932 -0.723 106 HH TYR 12 HH TYR 12 3.876 -7.321 0.069 107 H ASN 13 H ASN 13 1.004 -8.047 -5.342 108 HA ASN 13 HA ASN 13 0.258 -10.858 -5.657 109 HB2 ASN 13 2HB ASN 13 2.054 -9.198 -7.439 110 HB3 ASN 13 1HB ASN 13 1.978 -10.946 -7.509 111 HD21 ASN 13 1HD2 ASN 13 -0.982 -10.928 -7.038 112 HD22 ASN 13 2HD2 ASN 13 -1.672 -10.410 -8.518 113 H SER 14 H SER 14 1.158 -11.894 -4.049 114 HA SER 14 HA SER 14 3.253 -10.917 -2.512 115 HB2 SER 14 2HB SER 14 3.211 -13.249 -1.534 116 HB3 SER 14 1HB SER 14 1.674 -12.376 -1.510 117 HG SER 14 HG SER 14 2.228 -14.729 -2.577 118 H THR 15 H THR 15 3.244 -13.047 -5.291 119 HA THR 15 HA THR 15 5.789 -14.180 -5.057 120 HB THR 15 HB THR 15 4.398 -13.415 -7.635 121 HG1 THR 15 1HG THR 15 4.043 -15.727 -5.991 122 HG21 THR 15 3HG2 THR 15 6.684 -14.281 -7.895 123 HG22 THR 15 1HG2 THR 15 5.501 -15.429 -8.517 124 HG23 THR 15 2HG2 THR 15 6.254 -15.706 -6.947 125 H LYS 16 H LYS 16 4.758 -10.977 -6.085 126 HA LYS 16 HA LYS 16 7.450 -10.409 -7.118 127 HB2 LYS 16 2HB LYS 16 4.910 -8.814 -7.378 128 HB3 LYS 16 1HB LYS 16 6.451 -8.382 -8.085 129 HG2 LYS 16 2HG LYS 16 6.355 -10.439 -9.450 130 HG3 LYS 16 1HG LYS 16 4.754 -10.768 -8.778 131 HD2 LYS 16 2HD LYS 16 3.953 -8.618 -9.644 132 HD3 LYS 16 1HD LYS 16 5.552 -8.302 -10.309 133 HE2 LYS 16 2HE LYS 16 5.314 -10.323 -11.724 134 HE3 LYS 16 1HE LYS 16 3.684 -10.528 -11.087 135 HZ1 LYS 16 3HZ LYS 16 3.117 -8.345 -11.994 136 HZ2 LYS 16 1HZ LYS 16 3.610 -9.385 -13.216 137 HZ3 LYS 16 2HZ LYS 16 4.647 -8.185 -12.639 138 H ASN 17 H ASN 17 5.597 -10.003 -4.326 139 HA ASN 17 HA ASN 17 5.778 -8.728 -2.425 140 HB2 ASN 17 2HB ASN 17 8.496 -7.965 -3.584 141 HB3 ASN 17 1HB ASN 17 7.962 -7.486 -1.990 142 HD21 ASN 17 1HD2 ASN 17 7.358 -10.670 -3.357 143 HD22 ASN 17 2HD2 ASN 17 8.443 -11.519 -2.330 144 H PHE 18 H PHE 18 4.606 -7.684 -4.906 145 HA PHE 18 HA PHE 18 4.573 -4.844 -4.238 146 HB2 PHE 18 2HB PHE 18 5.044 -5.954 -6.989 147 HB3 PHE 18 1HB PHE 18 4.327 -4.376 -6.746 148 HD1 PHE 18 1HD PHE 18 5.628 -2.603 -5.656 149 HD2 PHE 18 2HD PHE 18 7.351 -6.312 -6.756 150 HE1 PHE 18 1HE PHE 18 7.857 -1.591 -5.519 151 HE2 PHE 18 2HE PHE 18 9.597 -5.311 -6.625 152 HZ PHE 18 HZ PHE 18 9.839 -2.946 -6.008 153 H GLY 19 H GLY 19 2.797 -3.707 -5.226 154 HA2 GLY 19 2HA GLY 19 0.624 -4.856 -6.488 155 HA3 GLY 19 1HA GLY 19 0.331 -4.859 -4.741 156 H PHE 20 H PHE 20 -1.380 -3.326 -5.611 157 HA PHE 20 HA PHE 20 -0.297 -0.656 -5.241 158 HB2 PHE 20 2HB PHE 20 -2.129 -1.457 -7.476 159 HB3 PHE 20 1HB PHE 20 -2.180 0.155 -6.765 160 HD1 PHE 20 1HD PHE 20 0.062 -2.250 -8.499 161 HD2 PHE 20 2HD PHE 20 -0.658 1.799 -7.443 162 HE1 PHE 20 1HE PHE 20 1.893 -1.541 -9.983 163 HE2 PHE 20 2HE PHE 20 1.168 2.520 -8.921 164 HZ PHE 20 HZ PHE 20 2.450 0.844 -10.197 165 H ILE 21 H ILE 21 -1.878 0.921 -4.637 166 HA ILE 21 HA ILE 21 -4.218 -0.097 -3.254 167 HB ILE 21 HB ILE 21 -2.048 1.509 -1.824 168 HG12 ILE 21 2HG1 ILE 21 -2.934 -1.349 -1.400 169 HG13 ILE 21 1HG1 ILE 21 -1.410 -0.855 -2.096 170 HG21 ILE 21 1HG2 ILE 21 -4.274 2.132 -1.128 171 HG22 ILE 21 2HG2 ILE 21 -3.434 1.254 0.153 172 HG23 ILE 21 3HG2 ILE 21 -4.661 0.439 -0.815 173 HD11 ILE 21 3HD1 ILE 21 -2.283 -0.266 0.726 174 HD12 ILE 21 1HD1 ILE 21 -0.744 0.189 0.000 175 HD13 ILE 21 2HD1 ILE 21 -1.135 -1.513 0.238 176 H GLU 22 H GLU 22 -5.817 1.355 -3.541 177 HA GLU 22 HA GLU 22 -5.196 4.188 -3.623 178 HB2 GLU 22 2HB GLU 22 -6.673 4.595 -5.534 179 HB3 GLU 22 1HB GLU 22 -5.364 3.532 -6.026 180 HG2 GLU 22 2HG GLU 22 -6.822 1.615 -5.942 181 HG3 GLU 22 1HG GLU 22 -8.090 2.613 -5.233 182 H GLN 23 H GLN 23 -7.015 5.363 -2.812 183 HA GLN 23 HA GLN 23 -8.778 3.637 -1.330 184 HB2 GLN 23 2HB GLN 23 -9.869 5.605 -0.440 185 HB3 GLN 23 1HB GLN 23 -8.136 5.818 -0.327 186 HG2 GLN 23 2HG GLN 23 -8.244 7.180 -2.367 187 HG3 GLN 23 1HG GLN 23 -9.988 7.031 -2.321 188 HE21 GLN 23 1HE2 GLN 23 -7.227 8.290 -0.682 189 HE22 GLN 23 2HE2 GLN 23 -8.066 9.460 0.260 190 H ASP 24 H ASP 24 -10.760 3.392 -1.465 191 HA ASP 24 HA ASP 24 -11.822 2.791 -4.003 192 HB2 ASP 24 2HB ASP 24 -12.542 1.844 -1.821 193 HB3 ASP 24 1HB ASP 24 -13.439 3.318 -1.525 194 H ASN 25 H ASN 25 -11.799 5.660 -2.285 195 HA ASN 25 HA ASN 25 -14.012 6.970 -3.593 196 HB2 ASN 25 2HB ASN 25 -11.784 8.121 -1.898 197 HB3 ASN 25 1HB ASN 25 -13.196 9.008 -2.450 198 HD21 ASN 25 1HD2 ASN 25 -12.214 8.394 0.244 199 HD22 ASN 25 2HD2 ASN 25 -13.523 7.628 1.055 200 H GLY 26 H GLY 26 -11.191 6.000 -4.838 201 HA2 GLY 26 2HA GLY 26 -10.433 6.519 -6.987 202 HA3 GLY 26 1HA GLY 26 -11.243 8.082 -6.877 203 H GLY 27 H GLY 27 -8.861 6.417 -4.884 204 HA2 GLY 27 2HA GLY 27 -7.467 8.911 -4.504 205 HA3 GLY 27 1HA GLY 27 -7.018 7.386 -3.774 206 H LYS 28 H LYS 28 -5.058 8.800 -4.560 207 HA LYS 28 HA LYS 28 -4.273 8.557 -7.278 208 HB2 LYS 28 2HB LYS 28 -2.632 9.055 -4.823 209 HB3 LYS 28 1HB LYS 28 -2.112 9.314 -6.479 210 HG2 LYS 28 2HG LYS 28 -3.742 11.024 -6.810 211 HG3 LYS 28 1HG LYS 28 -4.454 10.720 -5.227 212 HD2 LYS 28 2HD LYS 28 -2.310 11.327 -4.202 213 HD3 LYS 28 1HD LYS 28 -1.702 11.703 -5.821 214 HE2 LYS 28 2HE LYS 28 -3.354 13.444 -6.101 215 HE3 LYS 28 1HE LYS 28 -4.122 13.013 -4.578 216 HZ1 LYS 28 3HZ LYS 28 -2.137 13.709 -3.409 217 HZ2 LYS 28 1HZ LYS 28 -2.717 14.963 -4.366 218 HZ3 LYS 28 2HZ LYS 28 -1.369 14.101 -4.858 219 H ASP 29 H ASP 29 -2.629 7.214 -8.094 220 HA ASP 29 HA ASP 29 -2.664 4.598 -6.930 221 HB2 ASP 29 2HB ASP 29 -1.410 3.842 -8.945 222 HB3 ASP 29 1HB ASP 29 -2.899 4.679 -9.346 223 H VAL 30 H VAL 30 -1.403 3.970 -5.492 224 HA VAL 30 HA VAL 30 1.397 4.651 -5.646 225 HB VAL 30 HB VAL 30 0.694 6.104 -3.880 226 HG11 VAL 30 1HG1 VAL 30 -1.538 5.124 -3.479 227 HG12 VAL 30 2HG1 VAL 30 -0.631 5.435 -1.987 228 HG13 VAL 30 3HG1 VAL 30 -0.770 3.784 -2.610 229 HG21 VAL 30 3HG2 VAL 30 1.714 3.565 -2.674 230 HG22 VAL 30 1HG2 VAL 30 1.658 5.090 -1.824 231 HG23 VAL 30 2HG2 VAL 30 2.675 4.919 -3.260 232 H PHE 31 H PHE 31 2.745 2.959 -5.314 233 HA PHE 31 HA PHE 31 1.359 0.438 -5.257 234 HB2 PHE 31 2HB PHE 31 3.469 -0.588 -5.989 235 HB3 PHE 31 1HB PHE 31 2.928 0.699 -7.065 236 HD1 PHE 31 2HD PHE 31 4.195 2.800 -7.147 237 HD2 PHE 31 1HD PHE 31 5.516 -0.502 -4.825 238 HE1 PHE 31 2HE PHE 31 6.422 3.786 -7.027 239 HE2 PHE 31 1HE PHE 31 7.770 0.477 -4.705 240 HZ PHE 31 HZ PHE 31 8.231 2.628 -5.810 241 H VAL 32 H VAL 32 1.994 -1.274 -3.992 242 HA VAL 32 HA VAL 32 3.162 -0.397 -1.463 243 HB VAL 32 HB VAL 32 0.828 -1.091 -1.201 244 HG11 VAL 32 1HG1 VAL 32 1.675 -3.745 -2.312 245 HG12 VAL 32 2HG1 VAL 32 0.578 -2.587 -3.067 246 HG13 VAL 32 3HG1 VAL 32 0.112 -3.400 -1.573 247 HG21 VAL 32 3HG2 VAL 32 1.114 -2.859 0.487 248 HG22 VAL 32 1HG2 VAL 32 2.254 -1.533 0.697 249 HG23 VAL 32 2HG2 VAL 32 2.788 -3.059 -0.019 250 H HIS 33 H HIS 33 4.954 -1.260 -0.864 251 HA HIS 33 HA HIS 33 5.977 -3.640 -2.299 252 HB2 HIS 33 2HB HIS 33 7.316 -1.575 -2.674 253 HB3 HIS 33 1HB HIS 33 7.529 -1.414 -0.933 254 HD1 HIS 33 1HD HIS 33 7.972 -4.416 -3.240 255 HD2 HIS 33 2HD HIS 33 10.017 -2.207 -0.400 256 HE1 HIS 33 1HE HIS 33 10.039 -5.658 -2.827 257 HE2 HIS 33 2HE HIS 33 11.257 -4.375 -1.026 258 H LYS 34 H LYS 34 7.232 -5.137 -1.019 259 HA LYS 34 HA LYS 34 5.710 -5.841 1.222 260 HB2 LYS 34 2HB LYS 34 6.755 -7.564 -0.148 261 HB3 LYS 34 1HB LYS 34 8.344 -7.015 0.364 262 HG2 LYS 34 2HG LYS 34 7.943 -7.711 2.622 263 HG3 LYS 34 1HG LYS 34 6.257 -8.054 2.253 264 HD2 LYS 34 2HD LYS 34 6.799 -9.741 0.853 265 HD3 LYS 34 1HD LYS 34 8.558 -9.440 0.941 266 HE2 LYS 34 2HE LYS 34 7.986 -11.346 2.350 267 HE3 LYS 34 1HE LYS 34 8.384 -9.982 3.392 268 HZ1 LYS 34 3HZ LYS 34 6.015 -9.572 3.685 269 HZ2 LYS 34 1HZ LYS 34 6.391 -11.140 4.151 270 HZ3 LYS 34 2HZ LYS 34 5.638 -10.864 2.680 271 H SER 35 H SER 35 8.574 -3.924 1.068 272 HA SER 35 HA SER 35 9.402 -4.032 3.728 273 HB2 SER 35 2HB SER 35 9.166 -1.548 2.015 274 HB3 SER 35 1HB SER 35 10.264 -1.788 3.382 275 HG SER 35 HG SER 35 11.545 -2.942 2.169 276 H ALA 36 H ALA 36 6.473 -2.651 2.395 277 HA ALA 36 HA ALA 36 5.745 -1.200 4.753 278 HB1 ALA 36 1HB ALA 36 4.054 -2.181 2.504 279 HB2 ALA 36 2HB ALA 36 4.931 -0.642 2.525 280 HB3 ALA 36 3HB ALA 36 3.627 -0.952 3.702 281 H VAL 37 H VAL 37 5.179 -4.379 3.406 282 HA VAL 37 HA VAL 37 3.293 -5.182 5.375 283 HB VAL 37 HB VAL 37 5.131 -7.012 3.701 284 HG11 VAL 37 1HG1 VAL 37 2.667 -7.699 5.321 285 HG12 VAL 37 2HG1 VAL 37 4.281 -8.008 5.856 286 HG13 VAL 37 3HG1 VAL 37 3.668 -8.820 4.403 287 HG21 VAL 37 3HG2 VAL 37 3.560 -5.656 2.354 288 HG22 VAL 37 1HG2 VAL 37 2.226 -6.232 3.350 289 HG23 VAL 37 2HG2 VAL 37 3.123 -7.367 2.348 290 H ASP 38 H ASP 38 6.765 -5.556 5.000 291 HA ASP 38 HA ASP 38 7.119 -6.827 7.483 292 HB2 ASP 38 2HB ASP 38 9.061 -5.388 5.701 293 HB3 ASP 38 1HB ASP 38 9.557 -6.028 7.257 294 H ALA 39 H ALA 39 6.642 -3.513 6.714 295 HA ALA 39 HA ALA 39 7.806 -2.383 9.006 296 HB1 ALA 39 1HB ALA 39 7.104 -1.070 7.051 297 HB2 ALA 39 2HB ALA 39 6.423 -0.433 8.548 298 HB3 ALA 39 3HB ALA 39 5.420 -1.390 7.458 299 H ALA 40 H ALA 40 4.814 -4.077 8.577 300 HA ALA 40 HA ALA 40 4.185 -3.608 11.439 301 HB1 ALA 40 1HB ALA 40 1.795 -3.519 10.913 302 HB2 ALA 40 2HB ALA 40 2.183 -3.701 9.201 303 HB3 ALA 40 3HB ALA 40 2.690 -2.252 10.064 304 H GLY 41 H GLY 41 4.389 -5.804 8.840 305 HA2 GLY 41 2HA GLY 41 4.384 -8.021 8.717 306 HA3 GLY 41 1HA GLY 41 4.035 -8.198 10.407 307 H LEU 42 H LEU 42 2.494 -6.750 7.597 308 HA LEU 42 HA LEU 42 -0.149 -7.241 8.436 309 HB2 LEU 42 2HB LEU 42 1.010 -5.635 6.629 310 HB3 LEU 42 1HB LEU 42 0.592 -6.950 5.557 311 HG LEU 42 HG LEU 42 -1.039 -5.231 5.426 312 HD11 LEU 42 1HD1 LEU 42 -2.153 -7.596 6.912 313 HD12 LEU 42 2HD1 LEU 42 -1.916 -7.461 5.174 314 HD13 LEU 42 3HD1 LEU 42 -3.109 -6.444 5.976 315 HD21 LEU 42 3HD2 LEU 42 -2.413 -4.522 7.323 316 HD22 LEU 42 1HD2 LEU 42 -0.700 -4.186 7.565 317 HD23 LEU 42 2HD2 LEU 42 -1.450 -5.548 8.393 318 H HIS 43 H HIS 43 -1.357 -9.039 8.164 319 HA HIS 43 HA HIS 43 -0.058 -11.488 7.758 320 HB2 HIS 43 2HB HIS 43 -2.006 -11.125 9.255 321 HB3 HIS 43 1HB HIS 43 -3.039 -10.989 7.842 322 HD1 HIS 43 1HD HIS 43 -1.804 -13.384 10.248 323 HD2 HIS 43 2HD HIS 43 -3.056 -13.556 6.301 324 HE1 HIS 43 1HE HIS 43 -2.401 -15.772 9.837 325 HE2 HIS 43 2HE HIS 43 -3.503 -15.729 7.609 326 H SER 44 H SER 44 -2.167 -9.632 5.537 327 HA SER 44 HA SER 44 -1.080 -10.933 3.293 328 HB2 SER 44 2HB SER 44 -2.512 -12.787 4.046 329 HB3 SER 44 1HB SER 44 -3.921 -11.720 4.005 330 HG SER 44 HG SER 44 -4.037 -11.985 1.904 331 H LEU 45 H LEU 45 -1.944 -10.066 1.342 332 HA LEU 45 HA LEU 45 -3.857 -7.876 1.637 333 HB2 LEU 45 2HB LEU 45 -1.406 -7.731 -0.051 334 HB3 LEU 45 1HB LEU 45 -2.630 -6.533 0.084 335 HG LEU 45 HG LEU 45 -0.844 -7.256 2.417 336 HD11 LEU 45 1HD1 LEU 45 -0.729 -4.903 0.528 337 HD12 LEU 45 2HD1 LEU 45 0.435 -6.227 0.597 338 HD13 LEU 45 3HD1 LEU 45 0.271 -5.128 1.964 339 HD21 LEU 45 3HD2 LEU 45 -2.781 -4.982 1.968 340 HD22 LEU 45 1HD2 LEU 45 -1.747 -5.194 3.378 341 HD23 LEU 45 2HD2 LEU 45 -3.034 -6.353 3.048 342 H GLU 46 H GLU 46 -5.265 -7.929 0.204 343 HA GLU 46 HA GLU 46 -4.929 -8.694 -2.459 344 HB2 GLU 46 2HB GLU 46 -6.731 -10.418 -2.516 345 HB3 GLU 46 1HB GLU 46 -5.296 -10.976 -1.683 346 HG2 GLU 46 2HG GLU 46 -7.819 -10.006 -0.339 347 HG3 GLU 46 1HG GLU 46 -7.457 -11.694 -0.669 348 H GLU 47 H GLU 47 -7.088 -8.335 -3.622 349 HA GLU 47 HA GLU 47 -7.712 -5.717 -2.796 350 HB2 GLU 47 2HB GLU 47 -9.213 -5.574 -4.748 351 HB3 GLU 47 1HB GLU 47 -7.596 -6.101 -5.150 352 HG2 GLU 47 2HG GLU 47 -9.887 -8.002 -4.803 353 HG3 GLU 47 1HG GLU 47 -9.505 -7.236 -6.339 354 H GLY 48 H GLY 48 -9.716 -4.780 -2.521 355 HA2 GLY 48 2HA GLY 48 -12.035 -4.866 -1.884 356 HA3 GLY 48 1HA GLY 48 -11.788 -6.526 -1.361 357 H GLN 49 H GLN 49 -9.203 -5.523 -0.088 358 HA GLN 49 HA GLN 49 -10.402 -4.949 2.467 359 HB2 GLN 49 2HB GLN 49 -7.656 -5.648 1.535 360 HB3 GLN 49 1HB GLN 49 -8.002 -5.244 3.206 361 HG2 GLN 49 2HG GLN 49 -9.616 -7.248 1.813 362 HG3 GLN 49 1HG GLN 49 -8.010 -7.747 2.397 363 HE21 GLN 49 1HE2 GLN 49 -10.151 -5.447 4.122 364 HE22 GLN 49 2HE2 GLN 49 -10.491 -6.535 5.390 365 H ASP 50 H ASP 50 -10.343 -3.061 3.440 366 HA ASP 50 HA ASP 50 -9.026 -0.879 2.077 367 HB2 ASP 50 2HB ASP 50 -10.872 -0.889 4.474 368 HB3 ASP 50 1HB ASP 50 -10.069 0.557 3.888 369 H VAL 51 H VAL 51 -7.372 0.280 2.907 370 HA VAL 51 HA VAL 51 -6.159 -0.790 5.292 371 HB VAL 51 HB VAL 51 -5.366 -2.122 3.421 372 HG11 VAL 51 1HG1 VAL 51 -5.458 -0.552 1.589 373 HG12 VAL 51 2HG1 VAL 51 -3.830 -1.188 1.715 374 HG13 VAL 51 3HG1 VAL 51 -4.189 0.423 2.323 375 HG21 VAL 51 3HG2 VAL 51 -3.247 -0.402 4.687 376 HG22 VAL 51 1HG2 VAL 51 -2.943 -1.957 3.891 377 HG23 VAL 51 2HG2 VAL 51 -3.973 -1.870 5.333 378 H ILE 52 H ILE 52 -4.691 0.500 6.169 379 HA ILE 52 HA ILE 52 -4.770 3.349 5.409 380 HB ILE 52 HB ILE 52 -4.253 2.067 8.112 381 HG12 ILE 52 2HG1 ILE 52 -6.758 3.481 7.181 382 HG13 ILE 52 1HG1 ILE 52 -6.580 1.734 7.275 383 HG21 ILE 52 1HG2 ILE 52 -4.539 4.350 9.000 384 HG22 ILE 52 2HG2 ILE 52 -4.740 4.952 7.355 385 HG23 ILE 52 3HG2 ILE 52 -3.198 4.262 7.854 386 HD11 ILE 52 3HD1 ILE 52 -6.236 1.889 9.665 387 HD12 ILE 52 1HD1 ILE 52 -7.774 2.595 9.172 388 HD13 ILE 52 2HD1 ILE 52 -6.417 3.650 9.595 389 H PHE 53 H PHE 53 -2.750 4.270 5.060 390 HA PHE 53 HA PHE 53 -0.402 2.868 6.026 391 HB2 PHE 53 2HB PHE 53 0.664 2.996 3.796 392 HB3 PHE 53 1HB PHE 53 -0.603 1.800 3.823 393 HD1 PHE 53 1HD PHE 53 -2.837 2.449 2.767 394 HD2 PHE 53 2HD PHE 53 0.687 4.788 2.308 395 HE1 PHE 53 1HE PHE 53 -3.802 3.510 0.804 396 HE2 PHE 53 2HE PHE 53 -0.275 5.854 0.333 397 HZ PHE 53 HZ PHE 53 -2.519 5.222 -0.434 398 H ASP 54 H ASP 54 1.595 4.199 5.180 399 HA ASP 54 HA ASP 54 0.874 7.016 5.226 400 HB2 ASP 54 2HB ASP 54 3.372 5.702 6.372 401 HB3 ASP 54 1HB ASP 54 3.071 7.430 6.316 402 H LEU 55 H LEU 55 2.368 8.243 3.910 403 HA LEU 55 HA LEU 55 3.434 6.491 1.832 404 HB2 LEU 55 2HB LEU 55 1.389 7.366 1.069 405 HB3 LEU 55 1HB LEU 55 1.861 8.988 1.516 406 HG LEU 55 HG LEU 55 3.387 9.104 -0.381 407 HD11 LEU 55 1HD1 LEU 55 4.228 6.852 -0.322 408 HD12 LEU 55 2HD1 LEU 55 3.547 7.151 -1.926 409 HD13 LEU 55 3HD1 LEU 55 2.646 6.226 -0.720 410 HD21 LEU 55 3HD2 LEU 55 1.837 8.861 -2.214 411 HD22 LEU 55 1HD2 LEU 55 0.992 9.531 -0.819 412 HD23 LEU 55 2HD2 LEU 55 0.800 7.816 -1.258 413 H GLU 56 H GLU 56 5.271 6.737 1.152 414 HA GLU 56 HA GLU 56 6.790 9.164 1.646 415 HB2 GLU 56 2HB GLU 56 7.532 6.358 2.257 416 HB3 GLU 56 1HB GLU 56 8.797 7.433 1.673 417 HG2 GLU 56 2HG GLU 56 7.010 8.071 3.994 418 HG3 GLU 56 1HG GLU 56 8.606 7.312 4.137 419 H GLU 57 H GLU 57 8.390 9.649 0.205 420 HA GLU 57 HA GLU 57 7.713 8.667 -2.444 421 HB2 GLU 57 2HB GLU 57 9.103 11.225 -1.627 422 HB3 GLU 57 1HB GLU 57 8.645 10.783 -3.267 423 HG2 GLU 57 2HG GLU 57 6.283 10.755 -2.609 424 HG3 GLU 57 1HG GLU 57 6.739 11.207 -0.972 425 H LYS 58 H LYS 58 9.079 7.593 -3.578 426 HA LYS 58 HA LYS 58 11.699 6.875 -2.486 427 HB2 LYS 58 2HB LYS 58 10.026 5.136 -3.118 428 HB3 LYS 58 1HB LYS 58 10.024 5.744 -4.756 429 HG2 LYS 58 2HG LYS 58 11.314 3.712 -4.617 430 HG3 LYS 58 1HG LYS 58 12.360 5.085 -4.991 431 HD2 LYS 58 2HD LYS 58 13.057 5.209 -2.645 432 HD3 LYS 58 1HD LYS 58 11.999 3.852 -2.247 433 HE2 LYS 58 2HE LYS 58 14.300 3.093 -2.478 434 HE3 LYS 58 1HE LYS 58 13.294 2.425 -3.759 435 HZ1 LYS 58 3HZ LYS 58 14.159 4.118 -5.266 436 HZ2 LYS 58 1HZ LYS 58 15.398 3.204 -4.611 437 HZ3 LYS 58 2HZ LYS 58 15.122 4.751 -4.033 438 H GLN 59 H GLN 59 11.128 9.441 -3.697 439 HA GLN 59 HA GLN 59 11.910 11.007 -5.118 440 HB2 GLN 59 2HB GLN 59 14.147 9.941 -4.425 441 HB3 GLN 59 1HB GLN 59 14.058 8.984 -5.883 442 HG2 GLN 59 2HG GLN 59 14.317 11.999 -5.744 443 HG3 GLN 59 1HG GLN 59 15.614 10.870 -6.087 444 HE21 GLN 59 1HE2 GLN 59 12.868 12.547 -7.322 445 HE22 GLN 59 2HE2 GLN 59 13.078 12.097 -8.969 446 H GLY 60 H GLY 60 10.164 11.047 -6.408 447 HA2 GLY 60 2HA GLY 60 9.331 11.099 -8.586 448 HA3 GLY 60 1HA GLY 60 10.462 9.826 -9.029 449 H LYS 61 H LYS 61 9.929 7.949 -7.098 450 HA LYS 61 HA LYS 61 7.293 7.048 -7.970 451 HB2 LYS 61 2HB LYS 61 9.554 5.557 -6.625 452 HB3 LYS 61 1HB LYS 61 8.064 4.816 -7.168 453 HG2 LYS 61 2HG LYS 61 10.158 6.127 -8.894 454 HG3 LYS 61 1HG LYS 61 9.884 4.397 -8.717 455 HD2 LYS 61 2HD LYS 61 7.901 6.381 -9.871 456 HD3 LYS 61 1HD LYS 61 8.918 5.296 -10.812 457 HE2 LYS 61 2HE LYS 61 7.819 3.366 -9.773 458 HE3 LYS 61 1HE LYS 61 6.818 4.458 -8.818 459 HZ1 LYS 61 3HZ LYS 61 5.843 5.293 -10.836 460 HZ2 LYS 61 1HZ LYS 61 5.648 3.635 -10.756 461 HZ3 LYS 61 2HZ LYS 61 6.830 4.278 -11.771 462 H ALA 62 H ALA 62 5.806 6.146 -6.429 463 HA ALA 62 HA ALA 62 6.140 7.185 -3.696 464 HB1 ALA 62 1HB ALA 62 4.598 8.613 -4.986 465 HB2 ALA 62 2HB ALA 62 3.723 7.742 -3.730 466 HB3 ALA 62 3HB ALA 62 3.641 7.194 -5.395 467 H TYR 63 H TYR 63 5.965 5.559 -2.199 468 HA TYR 63 HA TYR 63 4.297 3.293 -2.951 469 HB2 TYR 63 2HB TYR 63 5.865 1.683 -2.070 470 HB3 TYR 63 1HB TYR 63 6.562 2.593 -3.388 471 HD1 TYR 63 2HD TYR 63 7.893 4.842 -2.334 472 HD2 TYR 63 1HD TYR 63 7.298 1.085 -0.428 473 HE1 TYR 63 2HE TYR 63 9.873 5.242 -0.924 474 HE2 TYR 63 1HE TYR 63 9.263 1.486 0.983 475 HH TYR 63 HH TYR 63 10.730 4.477 1.292 476 H ALA 64 H ALA 64 3.236 2.347 -1.452 477 HA ALA 64 HA ALA 64 2.568 3.780 1.009 478 HB1 ALA 64 1HB ALA 64 0.948 1.994 1.299 479 HB2 ALA 64 2HB ALA 64 1.662 1.088 -0.034 480 HB3 ALA 64 3HB ALA 64 0.850 2.633 -0.333 481 H VAL 65 H VAL 65 3.114 3.418 2.925 482 HA VAL 65 HA VAL 65 4.627 1.010 3.622 483 HB VAL 65 HB VAL 65 6.267 2.275 4.964 484 HG11 VAL 65 1HG1 VAL 65 6.929 1.645 2.735 485 HG12 VAL 65 2HG1 VAL 65 7.632 3.206 3.161 486 HG13 VAL 65 3HG1 VAL 65 6.236 3.129 2.085 487 HG21 VAL 65 3HG2 VAL 65 5.046 4.751 3.735 488 HG22 VAL 65 1HG2 VAL 65 6.525 4.711 4.700 489 HG23 VAL 65 2HG2 VAL 65 4.986 4.283 5.437 490 H ASN 66 H ASN 66 4.795 0.718 5.967 491 HA ASN 66 HA ASN 66 3.825 0.424 8.012 492 HB2 ASN 66 2HB ASN 66 4.402 3.002 8.038 493 HB3 ASN 66 1HB ASN 66 2.724 3.183 7.744 494 HD21 ASN 66 1HD2 ASN 66 2.427 4.248 9.678 495 HD22 ASN 66 2HD2 ASN 66 2.282 3.438 11.201 496 H LEU 67 H LEU 67 2.336 -0.962 6.591 497 HA LEU 67 HA LEU 67 -0.255 0.136 6.102 498 HB2 LEU 67 2HB LEU 67 0.567 -2.747 6.005 499 HB3 LEU 67 1HB LEU 67 -0.918 -2.077 5.383 500 HG LEU 67 HG LEU 67 1.865 -1.767 4.270 501 HD11 LEU 67 1HD1 LEU 67 0.644 -3.754 3.700 502 HD12 LEU 67 2HD1 LEU 67 0.855 -2.627 2.335 503 HD13 LEU 67 3HD1 LEU 67 -0.699 -2.709 3.179 504 HD21 LEU 67 3HD2 LEU 67 -0.617 -0.288 3.424 505 HD22 LEU 67 1HD2 LEU 67 0.934 -0.297 2.578 506 HD23 LEU 67 2HD2 LEU 67 0.814 0.429 4.181 507 H ARG 68 H ARG 68 -2.160 -0.371 7.005 508 HA ARG 68 HA ARG 68 -2.321 -1.998 9.411 509 HB2 ARG 68 2HB ARG 68 -1.849 0.264 10.209 510 HB3 ARG 68 1HB ARG 68 -3.148 0.931 9.223 511 HG2 ARG 68 2HG ARG 68 -3.805 0.818 11.505 512 HG3 ARG 68 1HG ARG 68 -4.704 -0.421 10.626 513 HD2 ARG 68 2HD ARG 68 -3.835 -1.260 12.733 514 HD3 ARG 68 1HD ARG 68 -3.127 -2.097 11.334 515 HE ARG 68 HE ARG 68 -1.427 -0.041 11.938 516 HH11 ARG 68 1HH1 ARG 68 -2.633 -2.851 13.738 517 HH12 ARG 68 2HH1 ARG 68 -1.190 -3.059 14.614 518 HH21 ARG 68 1HH2 ARG 68 0.510 -0.333 13.137 519 HH22 ARG 68 2HH2 ARG 68 0.650 -1.565 14.293 520 H ILE 69 H ILE 69 -4.310 -3.211 9.207 521 HA ILE 69 HA ILE 69 -5.920 -2.593 7.017 522 HB ILE 69 HB ILE 69 -7.360 -4.400 7.835 523 HG12 ILE 69 2HG1 ILE 69 -6.991 -4.401 10.292 524 HG13 ILE 69 1HG1 ILE 69 -6.595 -5.939 9.560 525 HG21 ILE 69 1HG2 ILE 69 -5.842 -6.230 7.325 526 HG22 ILE 69 2HG2 ILE 69 -4.491 -5.086 7.433 527 HG23 ILE 69 3HG2 ILE 69 -5.760 -4.854 6.222 528 HD11 ILE 69 3HD1 ILE 69 -5.045 -5.456 11.304 529 HD12 ILE 69 1HD1 ILE 69 -4.657 -3.911 10.616 530 HD13 ILE 69 2HD1 ILE 69 -4.185 -5.396 9.760 531 H LYS 70 H LYS 70 -7.807 -1.689 6.902 532 HA LYS 70 HA LYS 70 -8.672 0.074 8.920 533 HB2 LYS 70 2HB LYS 70 -9.105 0.353 6.414 534 HB3 LYS 70 1HB LYS 70 -10.253 -0.945 6.582 535 HG2 LYS 70 2HG LYS 70 -11.528 0.273 8.190 536 HG3 LYS 70 1HG LYS 70 -10.412 1.636 8.043 537 HD2 LYS 70 2HD LYS 70 -10.995 1.879 5.698 538 HD3 LYS 70 1HD LYS 70 -12.068 0.484 5.802 539 HE2 LYS 70 2HE LYS 70 -13.387 1.663 7.508 540 HE3 LYS 70 1HE LYS 70 -12.350 3.074 7.296 541 HZ1 LYS 70 3HZ LYS 70 -14.354 3.324 6.017 542 HZ2 LYS 70 1HZ LYS 70 -14.090 1.862 5.209 543 HZ3 LYS 70 2HZ LYS 70 -13.059 3.175 4.982 Start of MODEL 3 1 H1 MET 1 1HT MET 1 6.835 10.914 4.738 2 H2 MET 1 2HT MET 1 5.270 10.208 4.673 3 H3 MET 1 3HT MET 1 5.785 10.963 6.048 4 HA MET 1 HA MET 1 5.767 13.081 5.121 5 HB2 MET 1 2HB MET 1 6.426 12.514 2.835 6 HB3 MET 1 1HB MET 1 4.904 11.675 2.584 7 HG2 MET 1 2HG MET 1 3.711 13.794 2.854 8 HG3 MET 1 1HG MET 1 5.253 14.628 3.048 9 HE1 MET 1 2HE MET 1 4.585 16.286 1.117 10 HE2 MET 1 3HE MET 1 3.039 15.457 0.938 11 HE3 MET 1 1HE MET 1 4.039 15.777 -0.480 12 H ALA 2 H ALA 2 3.197 11.078 3.599 13 HA ALA 2 HA ALA 2 1.267 12.595 5.170 14 HB1 ALA 2 1HB ALA 2 -0.377 11.625 3.590 15 HB2 ALA 2 2HB ALA 2 0.942 10.759 2.804 16 HB3 ALA 2 3HB ALA 2 0.907 12.519 2.765 17 H THR 3 H THR 3 0.438 11.717 6.945 18 HA THR 3 HA THR 3 0.992 8.922 7.543 19 HB THR 3 HB THR 3 0.397 9.645 9.838 20 HG1 THR 3 1HG THR 3 -0.852 11.381 9.696 21 HG21 THR 3 3HG2 THR 3 2.512 11.332 8.479 22 HG22 THR 3 1HG2 THR 3 2.743 9.698 9.098 23 HG23 THR 3 2HG2 THR 3 2.413 11.025 10.213 24 H ASN 4 H ASN 4 -0.517 7.433 7.969 25 HA ASN 4 HA ASN 4 -2.468 6.342 7.799 26 HB2 ASN 4 2HB ASN 4 -3.358 8.610 9.585 27 HB3 ASN 4 1HB ASN 4 -4.409 7.260 9.194 28 HD21 ASN 4 1HD2 ASN 4 -1.600 8.286 10.942 29 HD22 ASN 4 2HD2 ASN 4 -1.429 6.871 11.906 30 H ILE 5 H ILE 5 -2.452 6.712 5.614 31 HA ILE 5 HA ILE 5 -4.492 8.460 4.490 32 HB ILE 5 HB ILE 5 -2.578 6.502 3.230 33 HG12 ILE 5 2HG1 ILE 5 -2.497 9.505 3.503 34 HG13 ILE 5 1HG1 ILE 5 -1.454 8.282 4.241 35 HG21 ILE 5 1HG2 ILE 5 -4.544 6.755 1.845 36 HG22 ILE 5 2HG2 ILE 5 -3.142 7.507 1.078 37 HG23 ILE 5 3HG2 ILE 5 -4.374 8.516 1.856 38 HD11 ILE 5 3HD1 ILE 5 -0.557 7.671 2.155 39 HD12 ILE 5 1HD1 ILE 5 -0.422 9.434 2.337 40 HD13 ILE 5 2HD1 ILE 5 -1.686 8.731 1.312 41 H VAL 6 H VAL 6 -6.210 7.680 3.327 42 HA VAL 6 HA VAL 6 -7.173 5.048 4.066 43 HB VAL 6 HB VAL 6 -8.481 7.391 2.698 44 HG11 VAL 6 1HG1 VAL 6 -9.302 5.338 1.721 45 HG12 VAL 6 2HG1 VAL 6 -10.573 6.090 2.691 46 HG13 VAL 6 3HG1 VAL 6 -9.683 4.680 3.306 47 HG21 VAL 6 3HG2 VAL 6 -8.952 6.070 5.363 48 HG22 VAL 6 1HG2 VAL 6 -9.888 7.412 4.704 49 HG23 VAL 6 2HG2 VAL 6 -8.180 7.633 5.089 50 H GLY 7 H GLY 7 -7.317 3.447 2.677 51 HA2 GLY 7 2HA GLY 7 -8.005 3.859 0.102 52 HA3 GLY 7 1HA GLY 7 -6.330 3.433 0.019 53 H LYS 8 H LYS 8 -7.578 1.846 -1.198 54 HA LYS 8 HA LYS 8 -7.963 -0.508 0.473 55 HB2 LYS 8 2HB LYS 8 -10.109 0.287 -0.304 56 HB3 LYS 8 1HB LYS 8 -9.498 0.403 -1.942 57 HG2 LYS 8 2HG LYS 8 -9.284 -1.954 -2.105 58 HG3 LYS 8 1HG LYS 8 -9.762 -2.168 -0.415 59 HD2 LYS 8 2HD LYS 8 -11.502 -0.873 -2.511 60 HD3 LYS 8 1HD LYS 8 -11.615 -2.582 -2.065 61 HE2 LYS 8 2HE LYS 8 -12.213 -2.004 0.189 62 HE3 LYS 8 1HE LYS 8 -11.931 -0.296 -0.109 63 HZ1 LYS 8 3HZ LYS 8 -14.024 -1.909 -1.458 64 HZ2 LYS 8 1HZ LYS 8 -13.740 -0.248 -1.607 65 HZ3 LYS 8 2HZ LYS 8 -14.270 -0.887 -0.139 66 H VAL 9 H VAL 9 -7.028 -2.336 -0.331 67 HA VAL 9 HA VAL 9 -4.812 -2.040 -2.023 68 HB VAL 9 HB VAL 9 -6.224 -4.639 -1.299 69 HG11 VAL 9 1HG1 VAL 9 -4.691 -4.968 -3.145 70 HG12 VAL 9 2HG1 VAL 9 -4.004 -5.682 -1.672 71 HG13 VAL 9 3HG1 VAL 9 -3.410 -4.138 -2.260 72 HG21 VAL 9 3HG2 VAL 9 -3.949 -3.233 0.094 73 HG22 VAL 9 1HG2 VAL 9 -4.583 -4.824 0.510 74 HG23 VAL 9 2HG2 VAL 9 -5.599 -3.396 0.694 75 H LYS 10 H LYS 10 -4.860 -1.609 -3.968 76 HA LYS 10 HA LYS 10 -7.089 -1.696 -5.732 77 HB2 LYS 10 2HB LYS 10 -5.265 -0.013 -5.637 78 HB3 LYS 10 1HB LYS 10 -4.149 -1.225 -6.199 79 HG2 LYS 10 2HG LYS 10 -5.358 -1.280 -8.348 80 HG3 LYS 10 1HG LYS 10 -6.424 -0.000 -7.737 81 HD2 LYS 10 2HD LYS 10 -4.440 1.415 -7.299 82 HD3 LYS 10 1HD LYS 10 -3.436 0.147 -7.982 83 HE2 LYS 10 2HE LYS 10 -3.723 1.871 -9.504 84 HE3 LYS 10 1HE LYS 10 -4.554 0.436 -10.134 85 HZ1 LYS 10 3HZ LYS 10 -5.760 2.871 -8.912 86 HZ2 LYS 10 1HZ LYS 10 -6.659 1.508 -9.174 87 HZ3 LYS 10 2HZ LYS 10 -5.990 2.343 -10.490 88 H TRP 11 H TRP 11 -4.066 -3.464 -5.399 89 HA TRP 11 HA TRP 11 -5.033 -5.957 -5.954 90 HB2 TRP 11 2HB TRP 11 -3.888 -6.515 -8.078 91 HB3 TRP 11 1HB TRP 11 -5.224 -5.433 -8.334 92 HD1 TRP 11 HD TRP 11 -4.603 -2.993 -9.315 93 HE1 TRP 11 1HE TRP 11 -2.469 -2.122 -10.480 94 HE3 TRP 11 3HE TRP 11 -1.445 -6.678 -7.989 95 HZ2 TRP 11 2HZ TRP 11 0.209 -2.914 -10.783 96 HZ3 TRP 11 3HZ TRP 11 0.936 -6.584 -8.742 97 HH2 TRP 11 HH TRP 11 1.725 -4.733 -10.109 98 H TYR 12 H TYR 12 -3.284 -7.554 -6.041 99 HA TYR 12 HA TYR 12 -0.677 -6.636 -5.325 100 HB2 TYR 12 2HB TYR 12 -1.871 -6.200 -3.183 101 HB3 TYR 12 1HB TYR 12 -2.367 -7.885 -3.132 102 HD1 TYR 12 2HD TYR 12 0.583 -5.643 -2.995 103 HD2 TYR 12 1HD TYR 12 -0.915 -9.545 -2.213 104 HE1 TYR 12 2HE TYR 12 2.644 -6.180 -1.781 105 HE2 TYR 12 1HE TYR 12 1.153 -10.092 -0.994 106 HH TYR 12 HH TYR 12 3.385 -7.729 -0.062 107 H ASN 13 H ASN 13 0.769 -8.135 -5.764 108 HA ASN 13 HA ASN 13 -0.143 -10.904 -5.966 109 HB2 ASN 13 2HB ASN 13 1.767 -9.447 -7.813 110 HB3 ASN 13 1HB ASN 13 1.605 -11.196 -7.754 111 HD21 ASN 13 1HD2 ASN 13 0.062 -8.215 -8.667 112 HD22 ASN 13 2HD2 ASN 13 -1.162 -8.936 -9.635 113 H SER 14 H SER 14 0.625 -11.825 -4.263 114 HA SER 14 HA SER 14 2.720 -10.982 -2.693 115 HB2 SER 14 2HB SER 14 1.528 -13.735 -2.953 116 HB3 SER 14 1HB SER 14 2.479 -13.148 -1.585 117 HG SER 14 HG SER 14 0.887 -11.880 -0.980 118 H THR 15 H THR 15 2.751 -13.133 -5.481 119 HA THR 15 HA THR 15 5.192 -14.402 -5.001 120 HB THR 15 HB THR 15 3.954 -13.750 -7.686 121 HG1 THR 15 1HG THR 15 3.131 -15.295 -5.662 122 HG21 THR 15 3HG2 THR 15 6.291 -14.536 -7.841 123 HG22 THR 15 1HG2 THR 15 5.171 -15.749 -8.461 124 HG23 THR 15 2HG2 THR 15 5.879 -15.941 -6.860 125 H LYS 16 H LYS 16 4.533 -11.245 -6.463 126 HA LYS 16 HA LYS 16 7.420 -10.914 -6.877 127 HB2 LYS 16 2HB LYS 16 5.123 -9.226 -7.881 128 HB3 LYS 16 1HB LYS 16 6.818 -8.835 -8.127 129 HG2 LYS 16 2HG LYS 16 7.108 -10.921 -9.359 130 HG3 LYS 16 1HG LYS 16 5.397 -11.282 -9.160 131 HD2 LYS 16 2HD LYS 16 4.839 -9.220 -10.382 132 HD3 LYS 16 1HD LYS 16 6.556 -8.876 -10.578 133 HE2 LYS 16 2HE LYS 16 5.711 -9.870 -12.620 134 HE3 LYS 16 1HE LYS 16 6.802 -10.990 -11.831 135 HZ1 LYS 16 3HZ LYS 16 3.851 -11.103 -11.659 136 HZ2 LYS 16 1HZ LYS 16 4.901 -12.230 -10.988 137 HZ3 LYS 16 2HZ LYS 16 4.761 -12.061 -12.664 138 H ASN 17 H ASN 17 5.154 -10.366 -4.631 139 HA ASN 17 HA ASN 17 5.048 -9.227 -2.659 140 HB2 ASN 17 2HB ASN 17 7.861 -8.305 -3.309 141 HB3 ASN 17 1HB ASN 17 7.081 -8.116 -1.752 142 HD21 ASN 17 1HD2 ASN 17 5.968 -10.972 -2.046 143 HD22 ASN 17 2HD2 ASN 17 7.332 -11.950 -1.690 144 H PHE 18 H PHE 18 4.431 -7.967 -5.331 145 HA PHE 18 HA PHE 18 4.433 -5.194 -4.389 146 HB2 PHE 18 2HB PHE 18 4.929 -6.110 -7.218 147 HB3 PHE 18 1HB PHE 18 4.443 -4.475 -6.818 148 HD1 PHE 18 1HD PHE 18 5.958 -3.232 -5.113 149 HD2 PHE 18 2HD PHE 18 7.166 -6.650 -7.337 150 HE1 PHE 18 1HE PHE 18 8.312 -2.594 -4.808 151 HE2 PHE 18 2HE PHE 18 9.519 -6.024 -7.027 152 HZ PHE 18 HZ PHE 18 10.095 -3.992 -5.760 153 H GLY 19 H GLY 19 2.727 -3.900 -4.919 154 HA2 GLY 19 2HA GLY 19 0.584 -4.756 -6.538 155 HA3 GLY 19 1HA GLY 19 0.201 -4.867 -4.819 156 H PHE 20 H PHE 20 -1.349 -3.191 -5.745 157 HA PHE 20 HA PHE 20 -0.186 -0.587 -5.164 158 HB2 PHE 20 2HB PHE 20 -1.903 -1.245 -7.542 159 HB3 PHE 20 1HB PHE 20 -1.898 0.363 -6.824 160 HD1 PHE 20 1HD PHE 20 0.385 -2.187 -8.316 161 HD2 PHE 20 2HD PHE 20 -0.347 1.914 -7.502 162 HE1 PHE 20 1HE PHE 20 2.328 -1.572 -9.694 163 HE2 PHE 20 2HE PHE 20 1.585 2.541 -8.862 164 HZ PHE 20 HZ PHE 20 2.936 0.797 -9.970 165 H ILE 21 H ILE 21 -1.851 1.035 -4.684 166 HA ILE 21 HA ILE 21 -4.232 -0.085 -3.392 167 HB ILE 21 HB ILE 21 -2.250 1.780 -1.996 168 HG12 ILE 21 2HG1 ILE 21 -2.928 -1.107 -1.392 169 HG13 ILE 21 1HG1 ILE 21 -1.437 -0.554 -2.124 170 HG21 ILE 21 1HG2 ILE 21 -4.531 2.271 -1.386 171 HG22 ILE 21 2HG2 ILE 21 -3.673 1.517 -0.043 172 HG23 ILE 21 3HG2 ILE 21 -4.813 0.574 -0.998 173 HD11 ILE 21 3HD1 ILE 21 -2.384 0.173 0.640 174 HD12 ILE 21 1HD1 ILE 21 -0.866 0.672 -0.102 175 HD13 ILE 21 2HD1 ILE 21 -1.155 -1.033 0.261 176 H GLU 22 H GLU 22 -5.989 1.315 -3.543 177 HA GLU 22 HA GLU 22 -5.499 4.118 -4.147 178 HB2 GLU 22 2HB GLU 22 -7.066 4.176 -5.971 179 HB3 GLU 22 1HB GLU 22 -5.918 2.904 -6.354 180 HG2 GLU 22 2HG GLU 22 -7.577 1.215 -5.568 181 HG3 GLU 22 1HG GLU 22 -8.659 2.573 -5.217 182 H GLN 23 H GLN 23 -7.135 5.351 -3.146 183 HA GLN 23 HA GLN 23 -8.910 3.740 -1.534 184 HB2 GLN 23 2HB GLN 23 -9.744 5.803 -0.522 185 HB3 GLN 23 1HB GLN 23 -7.998 5.731 -0.437 186 HG2 GLN 23 2HG GLN 23 -7.869 7.234 -2.331 187 HG3 GLN 23 1HG GLN 23 -9.631 7.346 -2.347 188 HE21 GLN 23 1HE2 GLN 23 -6.766 8.030 -0.579 189 HE22 GLN 23 2HE2 GLN 23 -7.414 9.240 0.454 190 H ASP 24 H ASP 24 -11.050 3.842 -1.503 191 HA ASP 24 HA ASP 24 -12.341 3.545 -3.931 192 HB2 ASP 24 2HB ASP 24 -13.481 4.169 -1.218 193 HB3 ASP 24 1HB ASP 24 -14.414 3.670 -2.617 194 H ASN 25 H ASN 25 -11.590 6.379 -2.237 195 HA ASN 25 HA ASN 25 -13.677 7.965 -3.469 196 HB2 ASN 25 2HB ASN 25 -11.383 8.848 -1.704 197 HB3 ASN 25 1HB ASN 25 -12.690 9.882 -2.269 198 HD21 ASN 25 1HD2 ASN 25 -11.734 7.432 -0.017 199 HD22 ASN 25 2HD2 ASN 25 -13.188 7.412 0.895 200 H GLY 26 H GLY 26 -10.813 6.731 -4.612 201 HA2 GLY 26 2HA GLY 26 -10.144 7.291 -6.818 202 HA3 GLY 26 1HA GLY 26 -10.661 8.944 -6.530 203 H GLY 27 H GLY 27 -8.487 6.741 -4.782 204 HA2 GLY 27 2HA GLY 27 -6.630 8.948 -4.439 205 HA3 GLY 27 1HA GLY 27 -6.419 7.358 -3.731 206 H LYS 28 H LYS 28 -4.449 8.944 -5.164 207 HA LYS 28 HA LYS 28 -4.183 8.110 -7.847 208 HB2 LYS 28 2HB LYS 28 -1.970 9.043 -7.763 209 HB3 LYS 28 1HB LYS 28 -3.172 10.114 -7.070 210 HG2 LYS 28 2HG LYS 28 -2.431 9.494 -4.838 211 HG3 LYS 28 1HG LYS 28 -1.231 8.403 -5.547 212 HD2 LYS 28 2HD LYS 28 -0.318 10.231 -6.795 213 HD3 LYS 28 1HD LYS 28 -1.482 11.317 -6.044 214 HE2 LYS 28 2HE LYS 28 -0.525 10.838 -3.823 215 HE3 LYS 28 1HE LYS 28 0.637 9.733 -4.557 216 HZ1 LYS 28 3HZ LYS 28 1.627 11.881 -4.094 217 HZ2 LYS 28 1HZ LYS 28 0.486 12.663 -5.032 218 HZ3 LYS 28 2HZ LYS 28 1.598 11.607 -5.753 219 H ASP 29 H ASP 29 -2.052 7.067 -8.616 220 HA ASP 29 HA ASP 29 -2.127 4.349 -7.754 221 HB2 ASP 29 2HB ASP 29 -0.296 5.712 -9.741 222 HB3 ASP 29 1HB ASP 29 -0.306 3.991 -9.417 223 H VAL 30 H VAL 30 -1.351 4.100 -5.735 224 HA VAL 30 HA VAL 30 1.504 4.627 -5.496 225 HB VAL 30 HB VAL 30 0.296 5.944 -3.807 226 HG11 VAL 30 1HG1 VAL 30 -1.749 4.571 -3.630 227 HG12 VAL 30 2HG1 VAL 30 -0.987 4.983 -2.084 228 HG13 VAL 30 3HG1 VAL 30 -0.779 3.357 -2.749 229 HG21 VAL 30 3HG2 VAL 30 1.692 3.570 -2.622 230 HG22 VAL 30 1HG2 VAL 30 1.309 5.057 -1.767 231 HG23 VAL 30 2HG2 VAL 30 2.423 5.088 -3.136 232 H PHE 31 H PHE 31 2.803 2.918 -5.226 233 HA PHE 31 HA PHE 31 1.423 0.386 -5.147 234 HB2 PHE 31 2HB PHE 31 3.613 -0.653 -5.794 235 HB3 PHE 31 1HB PHE 31 2.927 0.436 -6.986 236 HD1 PHE 31 1HD PHE 31 5.587 -0.019 -4.480 237 HD2 PHE 31 2HD PHE 31 4.100 2.374 -7.664 238 HE1 PHE 31 1HE PHE 31 7.752 1.144 -4.614 239 HE2 PHE 31 2HE PHE 31 6.242 3.537 -7.809 240 HZ PHE 31 HZ PHE 31 8.088 2.926 -6.277 241 H VAL 32 H VAL 32 1.824 -1.206 -3.754 242 HA VAL 32 HA VAL 32 2.876 -0.193 -1.256 243 HB VAL 32 HB VAL 32 0.619 -1.121 -1.112 244 HG11 VAL 32 1HG1 VAL 32 1.799 -3.728 -2.047 245 HG12 VAL 32 2HG1 VAL 32 0.657 -2.717 -2.928 246 HG13 VAL 32 3HG1 VAL 32 0.161 -3.511 -1.433 247 HG21 VAL 32 3HG2 VAL 32 0.961 -2.771 0.706 248 HG22 VAL 32 1HG2 VAL 32 1.995 -1.354 0.908 249 HG23 VAL 32 2HG2 VAL 32 2.663 -2.850 0.278 250 H HIS 33 H HIS 33 4.722 -0.721 -0.544 251 HA HIS 33 HA HIS 33 6.235 -2.855 -1.876 252 HB2 HIS 33 2HB HIS 33 7.184 -0.535 -1.792 253 HB3 HIS 33 1HB HIS 33 7.193 -0.657 -0.033 254 HD1 HIS 33 1HD HIS 33 8.541 -2.666 -2.952 255 HD2 HIS 33 2HD HIS 33 9.506 -1.600 0.906 256 HE1 HIS 33 1HE HIS 33 10.673 -3.757 -2.505 257 HE2 HIS 33 2HE HIS 33 11.434 -2.752 -0.328 258 H LYS 34 H LYS 34 7.147 -4.522 -0.700 259 HA LYS 34 HA LYS 34 5.430 -5.182 1.469 260 HB2 LYS 34 2HB LYS 34 5.765 -6.868 -0.218 261 HB3 LYS 34 1HB LYS 34 7.494 -6.865 0.064 262 HG2 LYS 34 2HG LYS 34 7.250 -7.964 2.152 263 HG3 LYS 34 1HG LYS 34 5.511 -7.668 2.170 264 HD2 LYS 34 2HD LYS 34 5.134 -9.125 0.418 265 HD3 LYS 34 1HD LYS 34 6.867 -9.320 0.077 266 HE2 LYS 34 2HE LYS 34 5.415 -10.206 2.581 267 HE3 LYS 34 1HE LYS 34 5.870 -11.253 1.238 268 HZ1 LYS 34 3HZ LYS 34 7.766 -9.734 2.940 269 HZ2 LYS 34 1HZ LYS 34 8.178 -10.758 1.663 270 HZ3 LYS 34 2HZ LYS 34 7.458 -11.390 3.043 271 H SER 35 H SER 35 8.461 -3.784 1.409 272 HA SER 35 HA SER 35 9.462 -4.738 3.832 273 HB2 SER 35 2HB SER 35 10.781 -3.222 2.319 274 HB3 SER 35 1HB SER 35 9.743 -1.892 2.812 275 HG SER 35 HG SER 35 10.497 -2.150 4.939 276 H ALA 36 H ALA 36 6.762 -2.697 3.165 277 HA ALA 36 HA ALA 36 6.451 -1.620 5.776 278 HB1 ALA 36 1HB ALA 36 4.376 -2.128 3.679 279 HB2 ALA 36 2HB ALA 36 5.381 -0.672 3.812 280 HB3 ALA 36 3HB ALA 36 4.222 -1.067 5.091 281 H VAL 37 H VAL 37 5.212 -4.508 4.118 282 HA VAL 37 HA VAL 37 3.726 -5.421 6.354 283 HB VAL 37 HB VAL 37 4.931 -7.115 4.097 284 HG11 VAL 37 1HG1 VAL 37 2.792 -7.866 6.127 285 HG12 VAL 37 2HG1 VAL 37 4.420 -8.429 6.161 286 HG13 VAL 37 3HG1 VAL 37 3.366 -8.882 4.808 287 HG21 VAL 37 3HG2 VAL 37 3.307 -5.462 3.275 288 HG22 VAL 37 1HG2 VAL 37 2.131 -6.029 4.466 289 HG23 VAL 37 2HG2 VAL 37 2.651 -7.097 3.171 290 H ASP 38 H ASP 38 6.984 -5.732 5.259 291 HA ASP 38 HA ASP 38 7.922 -7.592 7.166 292 HB2 ASP 38 2HB ASP 38 9.180 -7.064 5.131 293 HB3 ASP 38 1HB ASP 38 9.354 -5.403 5.685 294 H ALA 39 H ALA 39 7.380 -4.144 7.274 295 HA ALA 39 HA ALA 39 8.985 -3.578 9.519 296 HB1 ALA 39 1HB ALA 39 8.286 -1.876 7.915 297 HB2 ALA 39 2HB ALA 39 7.832 -1.445 9.563 298 HB3 ALA 39 3HB ALA 39 6.615 -2.064 8.451 299 H ALA 40 H ALA 40 5.640 -4.565 9.205 300 HA ALA 40 HA ALA 40 5.452 -4.526 12.172 301 HB1 ALA 40 1HB ALA 40 3.125 -3.853 12.028 302 HB2 ALA 40 2HB ALA 40 3.228 -3.856 10.263 303 HB3 ALA 40 3HB ALA 40 4.162 -2.687 11.196 304 H GLY 41 H GLY 41 5.278 -6.474 9.465 305 HA2 GLY 41 2HA GLY 41 4.626 -8.571 9.101 306 HA3 GLY 41 1HA GLY 41 4.356 -8.811 10.805 307 H LEU 42 H LEU 42 3.001 -6.939 8.147 308 HA LEU 42 HA LEU 42 0.383 -6.822 9.154 309 HB2 LEU 42 2HB LEU 42 1.566 -5.366 7.392 310 HB3 LEU 42 1HB LEU 42 1.253 -6.659 6.270 311 HG LEU 42 HG LEU 42 -0.250 -4.802 6.034 312 HD11 LEU 42 1HD1 LEU 42 -1.659 -7.289 6.994 313 HD12 LEU 42 2HD1 LEU 42 -1.085 -6.976 5.357 314 HD13 LEU 42 3HD1 LEU 42 -2.402 -6.013 6.028 315 HD21 LEU 42 3HD2 LEU 42 -1.965 -4.283 7.711 316 HD22 LEU 42 1HD2 LEU 42 -0.325 -4.023 8.301 317 HD23 LEU 42 2HD2 LEU 42 -1.220 -5.452 8.809 318 H HIS 43 H HIS 43 -1.222 -8.234 8.976 319 HA HIS 43 HA HIS 43 -0.729 -10.917 8.811 320 HB2 HIS 43 2HB HIS 43 -2.624 -9.942 9.989 321 HB3 HIS 43 1HB HIS 43 -3.384 -9.515 8.471 322 HD1 HIS 43 1HD HIS 43 -4.517 -11.479 7.131 323 HD2 HIS 43 2HD HIS 43 -2.858 -12.589 10.780 324 HE1 HIS 43 1HE HIS 43 -5.464 -13.723 7.641 325 HE2 HIS 43 2HE HIS 43 -4.223 -14.477 9.700 326 H SER 44 H SER 44 -2.495 -9.077 6.246 327 HA SER 44 HA SER 44 -1.379 -10.644 4.176 328 HB2 SER 44 2HB SER 44 -3.506 -11.818 3.529 329 HB3 SER 44 1HB SER 44 -2.727 -12.427 4.994 330 HG SER 44 HG SER 44 -5.193 -11.402 4.652 331 H LEU 45 H LEU 45 -1.885 -9.837 2.136 332 HA LEU 45 HA LEU 45 -3.947 -7.752 2.033 333 HB2 LEU 45 2HB LEU 45 -1.417 -7.710 0.347 334 HB3 LEU 45 1HB LEU 45 -2.693 -6.571 0.385 335 HG LEU 45 HG LEU 45 -0.901 -7.023 2.761 336 HD11 LEU 45 1HD1 LEU 45 -0.866 -4.860 0.660 337 HD12 LEU 45 2HD1 LEU 45 0.352 -6.118 0.874 338 HD13 LEU 45 3HD1 LEU 45 0.125 -4.892 2.119 339 HD21 LEU 45 3HD2 LEU 45 -2.936 -4.877 2.125 340 HD22 LEU 45 1HD2 LEU 45 -1.882 -4.913 3.538 341 HD23 LEU 45 2HD2 LEU 45 -3.120 -6.153 3.331 342 H GLU 46 H GLU 46 -5.141 -7.627 0.192 343 HA GLU 46 HA GLU 46 -4.700 -9.086 -2.157 344 HB2 GLU 46 2HB GLU 46 -6.771 -10.451 -2.033 345 HB3 GLU 46 1HB GLU 46 -5.622 -10.963 -0.807 346 HG2 GLU 46 2HG GLU 46 -6.875 -9.756 0.891 347 HG3 GLU 46 1HG GLU 46 -7.992 -9.164 -0.337 348 H GLU 47 H GLU 47 -6.560 -8.478 -3.639 349 HA GLU 47 HA GLU 47 -7.172 -5.782 -3.057 350 HB2 GLU 47 2HB GLU 47 -8.557 -5.837 -5.171 351 HB3 GLU 47 1HB GLU 47 -6.847 -6.132 -5.353 352 HG2 GLU 47 2HG GLU 47 -8.887 -8.316 -5.207 353 HG3 GLU 47 1HG GLU 47 -8.415 -7.499 -6.703 354 H GLY 48 H GLY 48 -9.177 -4.826 -2.997 355 HA2 GLY 48 2HA GLY 48 -11.452 -4.786 -2.292 356 HA3 GLY 48 1HA GLY 48 -11.323 -6.496 -1.893 357 H GLN 49 H GLN 49 -8.649 -5.622 -0.512 358 HA GLN 49 HA GLN 49 -9.810 -5.313 2.099 359 HB2 GLN 49 2HB GLN 49 -7.009 -5.630 1.078 360 HB3 GLN 49 1HB GLN 49 -7.367 -5.353 2.770 361 HG2 GLN 49 2HG GLN 49 -8.764 -7.485 1.358 362 HG3 GLN 49 1HG GLN 49 -7.065 -7.799 1.793 363 HE21 GLN 49 1HE2 GLN 49 -9.389 -5.911 3.722 364 HE22 GLN 49 2HE2 GLN 49 -9.488 -7.037 4.995 365 H ASP 50 H ASP 50 -10.213 -3.458 2.952 366 HA ASP 50 HA ASP 50 -9.175 -0.949 1.980 367 HB2 ASP 50 2HB ASP 50 -10.605 -1.609 4.559 368 HB3 ASP 50 1HB ASP 50 -10.158 0.036 4.048 369 H VAL 51 H VAL 51 -7.419 0.183 2.766 370 HA VAL 51 HA VAL 51 -6.107 -0.877 5.089 371 HB VAL 51 HB VAL 51 -5.300 -2.194 3.206 372 HG11 VAL 51 1HG1 VAL 51 -5.383 -0.618 1.382 373 HG12 VAL 51 2HG1 VAL 51 -3.745 -1.220 1.534 374 HG13 VAL 51 3HG1 VAL 51 -4.150 0.381 2.143 375 HG21 VAL 51 3HG2 VAL 51 -3.230 -0.463 4.532 376 HG22 VAL 51 1HG2 VAL 51 -2.887 -2.010 3.729 377 HG23 VAL 51 2HG2 VAL 51 -3.957 -1.943 5.147 378 H ILE 52 H ILE 52 -4.684 0.431 5.972 379 HA ILE 52 HA ILE 52 -4.844 3.288 5.256 380 HB ILE 52 HB ILE 52 -4.288 1.961 7.928 381 HG12 ILE 52 2HG1 ILE 52 -6.828 3.326 7.033 382 HG13 ILE 52 1HG1 ILE 52 -6.588 1.583 7.022 383 HG21 ILE 52 1HG2 ILE 52 -4.663 4.213 8.857 384 HG22 ILE 52 2HG2 ILE 52 -4.890 4.838 7.226 385 HG23 ILE 52 3HG2 ILE 52 -3.321 4.202 7.712 386 HD11 ILE 52 3HD1 ILE 52 -6.326 1.563 9.394 387 HD12 ILE 52 1HD1 ILE 52 -7.847 2.313 8.945 388 HD13 ILE 52 2HD1 ILE 52 -6.493 3.331 9.482 389 H PHE 53 H PHE 53 -2.853 4.281 4.880 390 HA PHE 53 HA PHE 53 -0.441 2.929 5.764 391 HB2 PHE 53 2HB PHE 53 0.557 3.079 3.528 392 HB3 PHE 53 1HB PHE 53 -0.691 1.869 3.563 393 HD1 PHE 53 1HD PHE 53 -2.970 2.542 2.578 394 HD2 PHE 53 2HD PHE 53 0.559 4.852 2.050 395 HE1 PHE 53 1HE PHE 53 -3.973 3.628 0.645 396 HE2 PHE 53 2HE PHE 53 -0.447 5.941 0.103 397 HZ PHE 53 HZ PHE 53 -2.689 5.337 -0.611 398 H ASP 54 H ASP 54 1.467 4.221 4.999 399 HA ASP 54 HA ASP 54 0.917 7.082 5.095 400 HB2 ASP 54 2HB ASP 54 3.155 5.402 6.208 401 HB3 ASP 54 1HB ASP 54 3.440 7.081 5.790 402 H LEU 55 H LEU 55 2.063 8.306 3.639 403 HA LEU 55 HA LEU 55 3.398 6.752 1.560 404 HB2 LEU 55 2HB LEU 55 1.178 7.105 0.756 405 HB3 LEU 55 1HB LEU 55 1.257 8.801 1.164 406 HG LEU 55 HG LEU 55 2.703 9.256 -0.718 407 HD11 LEU 55 1HD1 LEU 55 4.078 7.251 -0.648 408 HD12 LEU 55 2HD1 LEU 55 3.405 7.487 -2.250 409 HD13 LEU 55 3HD1 LEU 55 2.720 6.270 -1.166 410 HD21 LEU 55 3HD2 LEU 55 1.248 8.600 -2.552 411 HD22 LEU 55 1HD2 LEU 55 0.302 9.110 -1.158 412 HD23 LEU 55 2HD2 LEU 55 0.469 7.393 -1.537 413 H GLU 56 H GLU 56 5.074 7.537 0.678 414 HA GLU 56 HA GLU 56 5.873 10.272 0.885 415 HB2 GLU 56 2HB GLU 56 6.552 9.145 3.035 416 HB3 GLU 56 1HB GLU 56 7.494 8.014 2.088 417 HG2 GLU 56 2HG GLU 56 9.003 9.725 1.423 418 HG3 GLU 56 1HG GLU 56 7.958 10.977 2.102 419 H GLU 57 H GLU 57 7.432 10.644 -0.786 420 HA GLU 57 HA GLU 57 7.156 8.644 -2.834 421 HB2 GLU 57 2HB GLU 57 8.256 11.432 -3.006 422 HB3 GLU 57 1HB GLU 57 8.067 10.336 -4.367 423 HG2 GLU 57 2HG GLU 57 5.651 10.268 -3.943 424 HG3 GLU 57 1HG GLU 57 5.866 11.431 -2.634 425 H LYS 58 H LYS 58 8.595 7.614 -3.863 426 HA LYS 58 HA LYS 58 11.327 7.405 -2.830 427 HB2 LYS 58 2HB LYS 58 10.024 5.332 -3.103 428 HB3 LYS 58 1HB LYS 58 9.704 5.721 -4.772 429 HG2 LYS 58 2HG LYS 58 12.175 5.500 -5.198 430 HG3 LYS 58 1HG LYS 58 12.339 4.931 -3.534 431 HD2 LYS 58 2HD LYS 58 10.801 3.087 -3.991 432 HD3 LYS 58 1HD LYS 58 10.583 3.660 -5.643 433 HE2 LYS 58 2HE LYS 58 13.003 3.292 -6.040 434 HE3 LYS 58 1HE LYS 58 13.142 2.644 -4.409 435 HZ1 LYS 58 3HZ LYS 58 11.502 1.516 -6.611 436 HZ2 LYS 58 1HZ LYS 58 11.532 0.904 -5.039 437 HZ3 LYS 58 2HZ LYS 58 12.917 0.859 -6.003 438 H GLN 59 H GLN 59 11.895 9.428 -3.706 439 HA GLN 59 HA GLN 59 12.658 10.947 -5.169 440 HB2 GLN 59 2HB GLN 59 12.869 8.597 -7.068 441 HB3 GLN 59 1HB GLN 59 13.574 10.179 -7.359 442 HG2 GLN 59 2HG GLN 59 15.026 9.894 -5.427 443 HG3 GLN 59 1HG GLN 59 14.283 8.334 -5.092 444 HE21 GLN 59 1HE2 GLN 59 14.695 6.640 -6.422 445 HE22 GLN 59 2HE2 GLN 59 16.022 6.602 -7.520 446 H GLY 60 H GLY 60 11.054 8.990 -7.636 447 HA2 GLY 60 2HA GLY 60 9.080 11.159 -7.922 448 HA3 GLY 60 1HA GLY 60 9.771 10.303 -9.294 449 H LYS 61 H LYS 61 9.554 7.961 -7.122 450 HA LYS 61 HA LYS 61 6.965 6.995 -8.167 451 HB2 LYS 61 2HB LYS 61 8.995 5.550 -6.462 452 HB3 LYS 61 1HB LYS 61 7.615 4.851 -7.260 453 HG2 LYS 61 2HG LYS 61 10.104 5.930 -8.584 454 HG3 LYS 61 1HG LYS 61 9.725 4.247 -8.301 455 HD2 LYS 61 2HD LYS 61 9.245 4.603 -10.589 456 HD3 LYS 61 1HD LYS 61 7.679 4.628 -9.793 457 HE2 LYS 61 2HE LYS 61 7.671 7.082 -9.867 458 HE3 LYS 61 1HE LYS 61 9.278 7.066 -10.569 459 HZ1 LYS 61 3HZ LYS 61 7.609 7.394 -12.223 460 HZ2 LYS 61 1HZ LYS 61 6.836 5.949 -11.817 461 HZ3 LYS 61 2HZ LYS 61 8.398 5.926 -12.470 462 H ALA 62 H ALA 62 5.556 5.837 -6.609 463 HA ALA 62 HA ALA 62 5.551 7.194 -4.007 464 HB1 ALA 62 1HB ALA 62 3.902 8.240 -5.478 465 HB2 ALA 62 2HB ALA 62 3.083 7.352 -4.195 466 HB3 ALA 62 3HB ALA 62 3.182 6.668 -5.814 467 H TYR 63 H TYR 63 5.677 5.685 -2.395 468 HA TYR 63 HA TYR 63 4.383 3.137 -2.925 469 HB2 TYR 63 2HB TYR 63 6.147 1.921 -1.793 470 HB3 TYR 63 1HB TYR 63 6.734 2.761 -3.208 471 HD1 TYR 63 2HD TYR 63 7.816 5.183 -2.604 472 HD2 TYR 63 1HD TYR 63 7.387 1.958 0.122 473 HE1 TYR 63 2HE TYR 63 9.592 6.146 -1.183 474 HE2 TYR 63 1HE TYR 63 9.149 2.905 1.534 475 HH TYR 63 HH TYR 63 10.370 6.074 1.071 476 H ALA 64 H ALA 64 3.304 2.280 -1.447 477 HA ALA 64 HA ALA 64 2.537 3.825 0.913 478 HB1 ALA 64 1HB ALA 64 0.817 2.120 1.184 479 HB2 ALA 64 2HB ALA 64 1.499 1.179 -0.144 480 HB3 ALA 64 3HB ALA 64 0.802 2.775 -0.440 481 H VAL 65 H VAL 65 3.059 3.498 2.881 482 HA VAL 65 HA VAL 65 4.395 1.026 3.712 483 HB VAL 65 HB VAL 65 6.061 2.271 5.043 484 HG11 VAL 65 1HG1 VAL 65 6.704 1.513 2.854 485 HG12 VAL 65 2HG1 VAL 65 7.509 3.029 3.249 486 HG13 VAL 65 3HG1 VAL 65 6.136 3.019 2.139 487 HG21 VAL 65 3HG2 VAL 65 4.980 4.736 3.676 488 HG22 VAL 65 1HG2 VAL 65 6.433 4.682 4.676 489 HG23 VAL 65 2HG2 VAL 65 4.854 4.352 5.387 490 H ASN 66 H ASN 66 4.723 1.234 6.246 491 HA ASN 66 HA ASN 66 3.646 1.100 8.257 492 HB2 ASN 66 2HB ASN 66 4.219 3.631 7.982 493 HB3 ASN 66 1HB ASN 66 2.537 3.818 7.581 494 HD21 ASN 66 1HD2 ASN 66 1.008 3.753 9.153 495 HD22 ASN 66 2HD2 ASN 66 1.355 3.697 10.845 496 H LEU 67 H LEU 67 2.319 -0.523 7.039 497 HA LEU 67 HA LEU 67 -0.325 0.309 6.288 498 HB2 LEU 67 2HB LEU 67 0.867 -2.442 6.346 499 HB3 LEU 67 1HB LEU 67 -0.701 -2.036 5.707 500 HG LEU 67 HG LEU 67 1.993 -1.306 4.525 501 HD11 LEU 67 1HD1 LEU 67 1.191 -3.524 4.125 502 HD12 LEU 67 2HD1 LEU 67 1.163 -2.462 2.685 503 HD13 LEU 67 3HD1 LEU 67 -0.334 -2.799 3.561 504 HD21 LEU 67 3HD2 LEU 67 -0.747 -0.406 3.690 505 HD22 LEU 67 1HD2 LEU 67 0.754 -0.161 2.790 506 HD23 LEU 67 2HD2 LEU 67 0.536 0.611 4.361 507 H ARG 68 H ARG 68 -2.186 -0.269 7.107 508 HA ARG 68 HA ARG 68 -2.457 -1.937 9.466 509 HB2 ARG 68 2HB ARG 68 -2.101 0.400 10.287 510 HB3 ARG 68 1HB ARG 68 -3.475 0.946 9.326 511 HG2 ARG 68 2HG ARG 68 -4.139 0.738 11.580 512 HG3 ARG 68 1HG ARG 68 -4.846 -0.632 10.714 513 HD2 ARG 68 2HD ARG 68 -3.858 -1.324 12.824 514 HD3 ARG 68 1HD ARG 68 -3.031 -2.047 11.430 515 HE ARG 68 HE ARG 68 -1.705 0.304 12.101 516 HH11 ARG 68 1HH1 ARG 68 -2.271 -2.864 13.515 517 HH12 ARG 68 2HH1 ARG 68 -0.807 -2.918 14.376 518 HH21 ARG 68 1HH2 ARG 68 0.313 0.271 13.268 519 HH22 ARG 68 2HH2 ARG 68 0.696 -1.065 14.254 520 H ILE 69 H ILE 69 -4.430 -3.169 9.045 521 HA ILE 69 HA ILE 69 -5.800 -2.338 6.691 522 HB ILE 69 HB ILE 69 -6.861 -4.508 6.774 523 HG12 ILE 69 2HG1 ILE 69 -6.872 -5.118 9.175 524 HG13 ILE 69 1HG1 ILE 69 -6.009 -6.288 8.202 525 HG21 ILE 69 1HG2 ILE 69 -4.927 -5.838 6.156 526 HG22 ILE 69 2HG2 ILE 69 -3.877 -4.564 6.806 527 HG23 ILE 69 3HG2 ILE 69 -4.955 -4.221 5.450 528 HD11 ILE 69 3HD1 ILE 69 -4.917 -6.046 10.263 529 HD12 ILE 69 1HD1 ILE 69 -4.769 -4.315 10.109 530 HD13 ILE 69 2HD1 ILE 69 -3.866 -5.395 9.021 531 H LYS 70 H LYS 70 -7.883 -1.990 6.528 532 HA LYS 70 HA LYS 70 -9.450 -1.608 8.983 533 HB2 LYS 70 2HB LYS 70 -9.988 -0.829 6.117 534 HB3 LYS 70 1HB LYS 70 -11.147 -0.606 7.424 535 HG2 LYS 70 2HG LYS 70 -9.615 0.978 8.457 536 HG3 LYS 70 1HG LYS 70 -8.439 0.676 7.172 537 HD2 LYS 70 2HD LYS 70 -9.694 2.745 6.736 538 HD3 LYS 70 1HD LYS 70 -10.025 1.534 5.504 539 HE2 LYS 70 2HE LYS 70 -12.141 0.961 6.676 540 HE3 LYS 70 1HE LYS 70 -11.796 2.221 7.861 541 HZ1 LYS 70 3HZ LYS 70 -13.331 3.008 6.203 542 HZ2 LYS 70 1HZ LYS 70 -12.306 2.583 4.960 543 HZ3 LYS 70 2HZ LYS 70 -11.880 3.843 6.003 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -0.900 16.429 1.538 2 H2 MET 1 2HT MET 1 -0.684 17.862 2.408 3 H3 MET 1 3HT MET 1 -2.032 16.857 2.690 4 HA MET 1 HA MET 1 0.758 16.046 3.144 5 HB2 MET 1 2HB MET 1 -1.431 16.767 5.115 6 HB3 MET 1 1HB MET 1 0.118 16.074 5.559 7 HG2 MET 1 2HG MET 1 1.259 18.054 4.705 8 HG3 MET 1 1HG MET 1 -0.283 18.755 4.241 9 HE1 MET 1 2HE MET 1 -1.962 19.329 7.773 10 HE2 MET 1 3HE MET 1 -2.121 17.887 6.770 11 HE3 MET 1 1HE MET 1 -2.161 19.489 6.029 12 H ALA 2 H ALA 2 0.943 13.875 3.067 13 HA ALA 2 HA ALA 2 -1.541 12.384 3.415 14 HB1 ALA 2 1HB ALA 2 -1.045 10.932 1.558 15 HB2 ALA 2 2HB ALA 2 0.474 11.773 1.263 16 HB3 ALA 2 3HB ALA 2 -1.058 12.609 1.017 17 H THR 3 H THR 3 -1.030 11.787 5.465 18 HA THR 3 HA THR 3 0.636 9.433 5.609 19 HB THR 3 HB THR 3 1.283 10.195 8.001 20 HG1 THR 3 1HG THR 3 -0.220 12.081 7.745 21 HG21 THR 3 3HG2 THR 3 2.512 11.663 5.650 22 HG22 THR 3 1HG2 THR 3 2.945 10.043 6.195 23 HG23 THR 3 2HG2 THR 3 3.269 11.436 7.226 24 H ASN 4 H ASN 4 -0.205 7.883 7.094 25 HA ASN 4 HA ASN 4 -1.982 6.631 7.666 26 HB2 ASN 4 2HB ASN 4 -1.973 8.137 9.739 27 HB3 ASN 4 1HB ASN 4 -3.120 9.171 8.892 28 HD21 ASN 4 1HD2 ASN 4 -2.681 6.145 10.547 29 HD22 ASN 4 2HD2 ASN 4 -4.343 5.766 10.680 30 H ILE 5 H ILE 5 -2.347 6.472 5.515 31 HA ILE 5 HA ILE 5 -4.332 8.187 4.257 32 HB ILE 5 HB ILE 5 -2.414 6.179 3.108 33 HG12 ILE 5 2HG1 ILE 5 -2.293 9.189 3.288 34 HG13 ILE 5 1HG1 ILE 5 -1.258 7.999 4.070 35 HG21 ILE 5 1HG2 ILE 5 -4.382 6.428 1.724 36 HG22 ILE 5 2HG2 ILE 5 -2.966 7.126 0.934 37 HG23 ILE 5 3HG2 ILE 5 -4.176 8.187 1.680 38 HD11 ILE 5 3HD1 ILE 5 -0.394 7.279 2.002 39 HD12 ILE 5 1HD1 ILE 5 -0.186 9.029 2.156 40 HD13 ILE 5 2HD1 ILE 5 -1.483 8.374 1.130 41 H VAL 6 H VAL 6 -6.021 7.389 3.281 42 HA VAL 6 HA VAL 6 -7.018 4.786 4.075 43 HB VAL 6 HB VAL 6 -8.269 7.089 2.583 44 HG11 VAL 6 1HG1 VAL 6 -9.228 5.077 1.805 45 HG12 VAL 6 2HG1 VAL 6 -10.419 5.891 2.834 46 HG13 VAL 6 3HG1 VAL 6 -9.512 4.487 3.439 47 HG21 VAL 6 3HG2 VAL 6 -8.707 6.077 5.385 48 HG22 VAL 6 1HG2 VAL 6 -9.615 7.382 4.613 49 HG23 VAL 6 2HG2 VAL 6 -7.887 7.570 4.925 50 H GLY 7 H GLY 7 -7.142 3.149 2.648 51 HA2 GLY 7 2HA GLY 7 -7.996 3.559 0.120 52 HA3 GLY 7 1HA GLY 7 -6.304 3.271 -0.099 53 H LYS 8 H LYS 8 -8.061 1.722 -1.258 54 HA LYS 8 HA LYS 8 -8.188 -0.706 0.344 55 HB2 LYS 8 2HB LYS 8 -10.299 -0.088 -0.532 56 HB3 LYS 8 1HB LYS 8 -9.765 0.156 -2.151 57 HG2 LYS 8 2HG LYS 8 -9.158 -2.252 -2.195 58 HG3 LYS 8 1HG LYS 8 -10.036 -2.395 -0.669 59 HD2 LYS 8 2HD LYS 8 -11.226 -1.127 -3.120 60 HD3 LYS 8 1HD LYS 8 -11.351 -2.848 -2.798 61 HE2 LYS 8 2HE LYS 8 -13.286 -1.523 -2.179 62 HE3 LYS 8 1HE LYS 8 -12.592 -2.449 -0.811 63 HZ1 LYS 8 3HZ LYS 8 -13.430 -0.236 -0.253 64 HZ2 LYS 8 1HZ LYS 8 -12.341 0.535 -1.256 65 HZ3 LYS 8 2HZ LYS 8 -11.822 -0.340 0.086 66 H VAL 9 H VAL 9 -7.100 -2.457 -0.306 67 HA VAL 9 HA VAL 9 -4.860 -2.171 -1.941 68 HB VAL 9 HB VAL 9 -6.279 -4.758 -1.199 69 HG11 VAL 9 1HG1 VAL 9 -4.739 -5.087 -3.056 70 HG12 VAL 9 2HG1 VAL 9 -4.102 -5.833 -1.591 71 HG13 VAL 9 3HG1 VAL 9 -3.444 -4.295 -2.149 72 HG21 VAL 9 3HG2 VAL 9 -3.985 -3.344 0.161 73 HG22 VAL 9 1HG2 VAL 9 -4.636 -4.921 0.609 74 HG23 VAL 9 2HG2 VAL 9 -5.632 -3.478 0.775 75 H LYS 10 H LYS 10 -4.888 -1.760 -3.854 76 HA LYS 10 HA LYS 10 -7.055 -1.916 -5.691 77 HB2 LYS 10 2HB LYS 10 -5.221 -0.221 -5.586 78 HB3 LYS 10 1HB LYS 10 -4.115 -1.443 -6.147 79 HG2 LYS 10 2HG LYS 10 -5.398 -1.532 -8.268 80 HG3 LYS 10 1HG LYS 10 -6.383 -0.185 -7.667 81 HD2 LYS 10 2HD LYS 10 -4.322 1.140 -7.330 82 HD3 LYS 10 1HD LYS 10 -3.401 -0.199 -8.000 83 HE2 LYS 10 2HE LYS 10 -3.636 1.452 -9.596 84 HE3 LYS 10 1HE LYS 10 -4.623 0.077 -10.119 85 HZ1 LYS 10 3HZ LYS 10 -5.525 2.640 -8.922 86 HZ2 LYS 10 1HZ LYS 10 -6.577 1.380 -9.125 87 HZ3 LYS 10 2HZ LYS 10 -5.852 2.122 -10.478 88 H TRP 11 H TRP 11 -3.995 -3.619 -5.286 89 HA TRP 11 HA TRP 11 -4.940 -6.138 -5.851 90 HB2 TRP 11 2HB TRP 11 -3.743 -6.697 -7.907 91 HB3 TRP 11 1HB TRP 11 -4.972 -5.517 -8.254 92 HD1 TRP 11 HD TRP 11 -4.014 -2.992 -8.880 93 HE1 TRP 11 1HE TRP 11 -1.759 -2.304 -9.919 94 HE3 TRP 11 3HE TRP 11 -1.405 -7.221 -7.942 95 HZ2 TRP 11 2HZ TRP 11 0.810 -3.428 -10.282 96 HZ3 TRP 11 3HZ TRP 11 0.968 -7.366 -8.655 97 HH2 TRP 11 HH TRP 11 2.040 -5.501 -9.803 98 H TYR 12 H TYR 12 -3.147 -7.668 -5.846 99 HA TYR 12 HA TYR 12 -0.561 -6.735 -5.077 100 HB2 TYR 12 2HB TYR 12 -1.814 -6.206 -3.000 101 HB3 TYR 12 1HB TYR 12 -2.298 -7.888 -2.884 102 HD1 TYR 12 2HD TYR 12 0.686 -5.682 -2.907 103 HD2 TYR 12 1HD TYR 12 -0.927 -9.426 -1.719 104 HE1 TYR 12 2HE TYR 12 2.716 -6.127 -1.584 105 HE2 TYR 12 1HE TYR 12 1.091 -9.880 -0.399 106 HH TYR 12 HH TYR 12 3.337 -9.230 -0.187 107 H ASN 13 H ASN 13 0.877 -8.208 -5.496 108 HA ASN 13 HA ASN 13 -0.027 -10.987 -5.654 109 HB2 ASN 13 2HB ASN 13 2.248 -9.627 -7.131 110 HB3 ASN 13 1HB ASN 13 1.938 -11.354 -7.177 111 HD21 ASN 13 1HD2 ASN 13 -1.013 -10.910 -7.268 112 HD22 ASN 13 2HD2 ASN 13 -1.317 -10.362 -8.873 113 H SER 14 H SER 14 0.483 -11.892 -3.789 114 HA SER 14 HA SER 14 2.470 -10.973 -2.065 115 HB2 SER 14 2HB SER 14 2.051 -13.156 -0.891 116 HB3 SER 14 1HB SER 14 0.606 -12.193 -1.205 117 HG SER 14 HG SER 14 -0.118 -13.862 -2.154 118 H THR 15 H THR 15 2.461 -13.424 -4.556 119 HA THR 15 HA THR 15 4.899 -14.655 -3.970 120 HB THR 15 HB THR 15 3.559 -14.317 -6.667 121 HG1 THR 15 1HG THR 15 2.175 -15.797 -6.017 122 HG21 THR 15 3HG2 THR 15 5.863 -15.203 -6.797 123 HG22 THR 15 1HG2 THR 15 4.681 -16.444 -7.216 124 HG23 THR 15 2HG2 THR 15 5.447 -16.452 -5.625 125 H LYS 16 H LYS 16 4.113 -11.719 -5.735 126 HA LYS 16 HA LYS 16 6.876 -11.436 -6.646 127 HB2 LYS 16 2HB LYS 16 4.464 -9.706 -7.177 128 HB3 LYS 16 1HB LYS 16 6.052 -9.465 -7.881 129 HG2 LYS 16 2HG LYS 16 5.858 -11.676 -8.977 130 HG3 LYS 16 1HG LYS 16 4.229 -11.816 -8.316 131 HD2 LYS 16 2HD LYS 16 3.551 -9.805 -9.516 132 HD3 LYS 16 1HD LYS 16 5.183 -9.622 -10.153 133 HE2 LYS 16 2HE LYS 16 4.963 -11.786 -11.290 134 HE3 LYS 16 1HE LYS 16 3.321 -11.930 -10.672 135 HZ1 LYS 16 3HZ LYS 16 2.746 -9.900 -11.896 136 HZ2 LYS 16 1HZ LYS 16 3.320 -11.088 -12.940 137 HZ3 LYS 16 2HZ LYS 16 4.295 -9.788 -12.482 138 H ASN 17 H ASN 17 5.035 -10.641 -4.033 139 HA ASN 17 HA ASN 17 5.355 -9.420 -2.157 140 HB2 ASN 17 2HB ASN 17 8.110 -8.844 -3.295 141 HB3 ASN 17 1HB ASN 17 7.606 -8.468 -1.658 142 HD21 ASN 17 1HD2 ASN 17 6.065 -11.095 -1.498 143 HD22 ASN 17 2HD2 ASN 17 7.273 -12.273 -1.299 144 H PHE 18 H PHE 18 4.303 -8.128 -4.696 145 HA PHE 18 HA PHE 18 4.198 -5.515 -3.533 146 HB2 PHE 18 2HB PHE 18 4.865 -4.228 -5.507 147 HB3 PHE 18 1HB PHE 18 6.179 -5.210 -4.890 148 HD1 PHE 18 1HD PHE 18 3.725 -4.839 -7.622 149 HD2 PHE 18 2HD PHE 18 7.202 -6.868 -6.261 150 HE1 PHE 18 1HE PHE 18 4.098 -5.719 -9.891 151 HE2 PHE 18 2HE PHE 18 7.575 -7.755 -8.518 152 HZ PHE 18 HZ PHE 18 6.021 -7.182 -10.337 153 H GLY 19 H GLY 19 2.805 -4.019 -4.748 154 HA2 GLY 19 2HA GLY 19 0.945 -4.867 -6.685 155 HA3 GLY 19 1HA GLY 19 0.253 -5.020 -5.066 156 H PHE 20 H PHE 20 -1.252 -3.354 -5.586 157 HA PHE 20 HA PHE 20 -0.145 -0.702 -5.104 158 HB2 PHE 20 2HB PHE 20 -1.871 -1.412 -7.452 159 HB3 PHE 20 1HB PHE 20 -1.944 0.194 -6.731 160 HD1 PHE 20 1HD PHE 20 0.389 -2.232 -8.313 161 HD2 PHE 20 2HD PHE 20 -0.442 1.830 -7.406 162 HE1 PHE 20 1HE PHE 20 2.260 -1.540 -9.719 163 HE2 PHE 20 2HE PHE 20 1.433 2.539 -8.820 164 HZ PHE 20 HZ PHE 20 2.795 0.847 -9.987 165 H ILE 21 H ILE 21 -1.970 0.912 -4.701 166 HA ILE 21 HA ILE 21 -4.290 -0.257 -3.365 167 HB ILE 21 HB ILE 21 -2.351 1.644 -1.949 168 HG12 ILE 21 2HG1 ILE 21 -2.923 -1.268 -1.372 169 HG13 ILE 21 1HG1 ILE 21 -1.452 -0.652 -2.090 170 HG21 ILE 21 1HG2 ILE 21 -4.636 2.053 -1.332 171 HG22 ILE 21 2HG2 ILE 21 -3.763 1.298 0.002 172 HG23 ILE 21 3HG2 ILE 21 -4.875 0.341 -0.980 173 HD11 ILE 21 3HD1 ILE 21 -2.428 0.051 0.670 174 HD12 ILE 21 1HD1 ILE 21 -0.921 0.572 -0.067 175 HD13 ILE 21 2HD1 ILE 21 -1.173 -1.135 0.308 176 H GLU 22 H GLU 22 -6.101 1.214 -3.521 177 HA GLU 22 HA GLU 22 -5.437 3.987 -4.029 178 HB2 GLU 22 2HB GLU 22 -6.849 4.240 -5.944 179 HB3 GLU 22 1HB GLU 22 -5.875 2.825 -6.298 180 HG2 GLU 22 2HG GLU 22 -7.834 1.406 -5.556 181 HG3 GLU 22 1HG GLU 22 -8.707 2.939 -5.376 182 H GLN 23 H GLN 23 -6.911 5.281 -2.997 183 HA GLN 23 HA GLN 23 -8.903 3.810 -1.502 184 HB2 GLN 23 2HB GLN 23 -9.509 5.936 -0.409 185 HB3 GLN 23 1HB GLN 23 -7.802 5.572 -0.235 186 HG2 GLN 23 2HG GLN 23 -7.349 7.104 -2.065 187 HG3 GLN 23 1HG GLN 23 -9.051 7.534 -2.114 188 HE21 GLN 23 1HE2 GLN 23 -6.167 7.631 -0.201 189 HE22 GLN 23 2HE2 GLN 23 -6.638 8.927 0.815 190 H ASP 24 H ASP 24 -10.972 4.012 -1.596 191 HA ASP 24 HA ASP 24 -12.145 4.186 -4.107 192 HB2 ASP 24 2HB ASP 24 -13.428 4.454 -1.391 193 HB3 ASP 24 1HB ASP 24 -14.235 4.057 -2.902 194 H ASN 25 H ASN 25 -11.196 6.623 -1.988 195 HA ASN 25 HA ASN 25 -13.165 8.534 -2.856 196 HB2 ASN 25 2HB ASN 25 -10.768 8.849 -1.041 197 HB3 ASN 25 1HB ASN 25 -11.956 10.101 -1.372 198 HD21 ASN 25 1HD2 ASN 25 -14.236 8.226 -1.305 199 HD22 ASN 25 2HD2 ASN 25 -14.436 7.815 0.352 200 H GLY 26 H GLY 26 -10.328 7.263 -4.214 201 HA2 GLY 26 2HA GLY 26 -9.719 8.213 -6.341 202 HA3 GLY 26 1HA GLY 26 -10.041 9.798 -5.673 203 H GLY 27 H GLY 27 -8.057 7.063 -4.590 204 HA2 GLY 27 2HA GLY 27 -5.923 8.974 -4.033 205 HA3 GLY 27 1HA GLY 27 -5.876 7.293 -3.540 206 H LYS 28 H LYS 28 -3.832 8.871 -4.986 207 HA LYS 28 HA LYS 28 -3.945 8.138 -7.750 208 HB2 LYS 28 2HB LYS 28 -1.775 9.424 -6.122 209 HB3 LYS 28 1HB LYS 28 -1.677 9.155 -7.857 210 HG2 LYS 28 2HG LYS 28 -3.641 10.561 -8.189 211 HG3 LYS 28 1HG LYS 28 -3.740 10.835 -6.448 212 HD2 LYS 28 2HD LYS 28 -1.519 11.839 -6.497 213 HD3 LYS 28 1HD LYS 28 -1.452 11.554 -8.242 214 HE2 LYS 28 2HE LYS 28 -3.363 13.023 -8.587 215 HE3 LYS 28 1HE LYS 28 -3.515 13.256 -6.847 216 HZ1 LYS 28 3HZ LYS 28 -1.405 14.384 -6.829 217 HZ2 LYS 28 1HZ LYS 28 -2.430 15.110 -7.930 218 HZ3 LYS 28 2HZ LYS 28 -1.184 14.123 -8.487 219 H ASP 29 H ASP 29 -1.569 7.392 -8.578 220 HA ASP 29 HA ASP 29 -1.459 4.617 -8.022 221 HB2 ASP 29 2HB ASP 29 0.463 6.353 -9.578 222 HB3 ASP 29 1HB ASP 29 0.567 4.610 -9.470 223 H VAL 30 H VAL 30 -0.909 4.177 -5.971 224 HA VAL 30 HA VAL 30 1.893 4.646 -5.404 225 HB VAL 30 HB VAL 30 0.643 6.067 -3.831 226 HG11 VAL 30 1HG1 VAL 30 -1.513 4.854 -3.835 227 HG12 VAL 30 2HG1 VAL 30 -0.857 5.260 -2.240 228 HG13 VAL 30 3HG1 VAL 30 -0.711 3.597 -2.842 229 HG21 VAL 30 3HG2 VAL 30 1.714 3.611 -2.490 230 HG22 VAL 30 1HG2 VAL 30 1.404 5.156 -1.709 231 HG23 VAL 30 2HG2 VAL 30 2.625 5.038 -2.978 232 H PHE 31 H PHE 31 3.020 2.829 -5.185 233 HA PHE 31 HA PHE 31 1.413 0.431 -5.253 234 HB2 PHE 31 2HB PHE 31 3.379 -0.790 -6.030 235 HB3 PHE 31 1HB PHE 31 3.071 0.619 -7.029 236 HD1 PHE 31 1HD PHE 31 5.317 -0.935 -4.590 237 HD2 PHE 31 2HD PHE 31 4.691 2.396 -7.158 238 HE1 PHE 31 1HE PHE 31 7.674 -0.321 -4.353 239 HE2 PHE 31 2HE PHE 31 7.059 3.016 -6.920 240 HZ PHE 31 HZ PHE 31 8.553 1.662 -5.521 241 H VAL 32 H VAL 32 1.750 -1.312 -3.946 242 HA VAL 32 HA VAL 32 2.988 -0.563 -1.422 243 HB VAL 32 HB VAL 32 0.607 -1.065 -1.164 244 HG11 VAL 32 1HG1 VAL 32 1.227 -3.779 -2.289 245 HG12 VAL 32 2HG1 VAL 32 0.227 -2.532 -3.042 246 HG13 VAL 32 3HG1 VAL 32 -0.304 -3.311 -1.549 247 HG21 VAL 32 3HG2 VAL 32 0.736 -2.861 0.521 248 HG22 VAL 32 1HG2 VAL 32 1.986 -1.643 0.743 249 HG23 VAL 32 2HG2 VAL 32 2.379 -3.204 0.007 250 H HIS 33 H HIS 33 4.731 -1.498 -0.866 251 HA HIS 33 HA HIS 33 5.584 -3.940 -2.295 252 HB2 HIS 33 2HB HIS 33 7.010 -1.939 -2.683 253 HB3 HIS 33 1HB HIS 33 7.264 -1.802 -0.942 254 HD1 HIS 33 1HD HIS 33 7.686 -4.488 -3.578 255 HD2 HIS 33 2HD HIS 33 9.517 -2.996 -0.198 256 HE1 HIS 33 1HE HIS 33 9.561 -6.023 -3.113 257 HE2 HIS 33 2HE HIS 33 10.875 -4.872 -1.306 258 H LYS 34 H LYS 34 6.532 -5.625 -1.059 259 HA LYS 34 HA LYS 34 5.134 -6.092 1.298 260 HB2 LYS 34 2HB LYS 34 5.873 -7.946 -0.076 261 HB3 LYS 34 1HB LYS 34 7.554 -7.576 0.296 262 HG2 LYS 34 2HG LYS 34 7.197 -8.126 2.631 263 HG3 LYS 34 1HG LYS 34 5.483 -8.373 2.317 264 HD2 LYS 34 2HD LYS 34 5.875 -10.175 0.999 265 HD3 LYS 34 1HD LYS 34 7.647 -9.950 1.000 266 HE2 LYS 34 2HE LYS 34 7.566 -10.327 3.474 267 HE3 LYS 34 1HE LYS 34 5.844 -10.656 3.336 268 HZ1 LYS 34 3HZ LYS 34 7.097 -12.687 3.416 269 HZ2 LYS 34 1HZ LYS 34 8.029 -12.233 2.085 270 HZ3 LYS 34 2HZ LYS 34 6.377 -12.536 1.904 271 H SER 35 H SER 35 8.213 -4.540 0.972 272 HA SER 35 HA SER 35 9.082 -4.729 3.596 273 HB2 SER 35 2HB SER 35 9.160 -2.249 1.864 274 HB3 SER 35 1HB SER 35 10.193 -2.590 3.254 275 HG SER 35 HG SER 35 11.406 -3.793 2.031 276 H ALA 36 H ALA 36 6.251 -3.075 2.387 277 HA ALA 36 HA ALA 36 5.790 -1.515 4.746 278 HB1 ALA 36 1HB ALA 36 3.884 -2.367 2.619 279 HB2 ALA 36 2HB ALA 36 4.892 -0.907 2.540 280 HB3 ALA 36 3HB ALA 36 3.658 -1.071 3.805 281 H VAL 37 H VAL 37 4.764 -4.630 3.448 282 HA VAL 37 HA VAL 37 3.019 -5.379 5.541 283 HB VAL 37 HB VAL 37 4.811 -7.175 3.800 284 HG11 VAL 37 1HG1 VAL 37 2.559 -8.048 5.644 285 HG12 VAL 37 2HG1 VAL 37 4.227 -8.198 6.030 286 HG13 VAL 37 3HG1 VAL 37 3.574 -9.079 4.640 287 HG21 VAL 37 3HG2 VAL 37 3.041 -5.966 2.576 288 HG22 VAL 37 1HG2 VAL 37 1.843 -6.607 3.699 289 HG23 VAL 37 2HG2 VAL 37 2.722 -7.701 2.640 290 H ASP 38 H ASP 38 6.404 -5.838 4.965 291 HA ASP 38 HA ASP 38 7.099 -7.199 7.278 292 HB2 ASP 38 2HB ASP 38 8.558 -7.020 5.335 293 HB3 ASP 38 1HB ASP 38 8.753 -5.297 5.627 294 H ALA 39 H ALA 39 6.653 -3.751 6.711 295 HA ALA 39 HA ALA 39 7.954 -2.724 8.961 296 HB1 ALA 39 1HB ALA 39 7.133 -1.364 7.081 297 HB2 ALA 39 2HB ALA 39 6.595 -0.745 8.644 298 HB3 ALA 39 3HB ALA 39 5.483 -1.652 7.624 299 H ALA 40 H ALA 40 4.844 -4.252 8.671 300 HA ALA 40 HA ALA 40 4.418 -3.782 11.560 301 HB1 ALA 40 1HB ALA 40 2.027 -3.576 11.133 302 HB2 ALA 40 2HB ALA 40 2.328 -3.755 9.400 303 HB3 ALA 40 3HB ALA 40 2.948 -2.347 10.261 304 H GLY 41 H GLY 41 5.064 -6.036 9.345 305 HA2 GLY 41 2HA GLY 41 4.627 -8.197 8.940 306 HA3 GLY 41 1HA GLY 41 4.363 -8.435 10.634 307 H LEU 42 H LEU 42 2.794 -6.878 7.921 308 HA LEU 42 HA LEU 42 0.132 -7.186 8.811 309 HB2 LEU 42 2HB LEU 42 1.266 -5.635 7.015 310 HB3 LEU 42 1HB LEU 42 1.018 -6.979 5.935 311 HG LEU 42 HG LEU 42 -0.626 -5.289 5.644 312 HD11 LEU 42 1HD1 LEU 42 -1.812 -7.756 6.876 313 HD12 LEU 42 2HD1 LEU 42 -1.363 -7.530 5.187 314 HD13 LEU 42 3HD1 LEU 42 -2.692 -6.600 5.878 315 HD21 LEU 42 3HD2 LEU 42 -2.232 -4.671 7.322 316 HD22 LEU 42 1HD2 LEU 42 -0.600 -4.331 7.864 317 HD23 LEU 42 2HD2 LEU 42 -1.466 -5.737 8.503 318 H HIS 43 H HIS 43 -1.306 -8.918 8.400 319 HA HIS 43 HA HIS 43 -0.107 -11.445 8.193 320 HB2 HIS 43 2HB HIS 43 -2.218 -11.000 9.435 321 HB3 HIS 43 1HB HIS 43 -3.046 -10.794 7.900 322 HD1 HIS 43 1HD HIS 43 -1.793 -13.361 10.259 323 HD2 HIS 43 2HD HIS 43 -3.484 -13.246 6.465 324 HE1 HIS 43 1HE HIS 43 -2.477 -15.716 9.754 325 HE2 HIS 43 2HE HIS 43 -3.242 -15.647 7.362 326 H SER 44 H SER 44 -2.397 -9.943 5.858 327 HA SER 44 HA SER 44 -0.949 -11.014 3.631 328 HB2 SER 44 2HB SER 44 -3.738 -12.053 4.231 329 HB3 SER 44 1HB SER 44 -2.841 -12.356 2.747 330 HG SER 44 HG SER 44 -1.565 -13.719 3.756 331 H LEU 45 H LEU 45 -1.676 -10.053 1.665 332 HA LEU 45 HA LEU 45 -3.823 -8.062 1.935 333 HB2 LEU 45 2HB LEU 45 -1.383 -7.819 0.182 334 HB3 LEU 45 1HB LEU 45 -2.694 -6.705 0.292 335 HG LEU 45 HG LEU 45 -0.832 -7.263 2.593 336 HD11 LEU 45 1HD1 LEU 45 -0.924 -4.971 0.636 337 HD12 LEU 45 2HD1 LEU 45 0.327 -6.212 0.713 338 HD13 LEU 45 3HD1 LEU 45 0.123 -5.082 2.050 339 HD21 LEU 45 3HD2 LEU 45 -2.928 -5.134 2.140 340 HD22 LEU 45 1HD2 LEU 45 -1.847 -5.238 3.527 341 HD23 LEU 45 2HD2 LEU 45 -3.059 -6.490 3.260 342 H GLU 46 H GLU 46 -5.148 -7.848 0.211 343 HA GLU 46 HA GLU 46 -4.784 -9.206 -2.251 344 HB2 GLU 46 2HB GLU 46 -6.819 -10.605 -2.055 345 HB3 GLU 46 1HB GLU 46 -5.605 -11.097 -0.883 346 HG2 GLU 46 2HG GLU 46 -6.796 -9.872 0.864 347 HG3 GLU 46 1HG GLU 46 -8.014 -9.385 -0.308 348 H GLU 47 H GLU 47 -6.726 -8.614 -3.650 349 HA GLU 47 HA GLU 47 -7.270 -5.903 -3.080 350 HB2 GLU 47 2HB GLU 47 -8.687 -5.897 -5.115 351 HB3 GLU 47 1HB GLU 47 -7.053 -6.458 -5.399 352 HG2 GLU 47 2HG GLU 47 -9.392 -8.288 -5.013 353 HG3 GLU 47 1HG GLU 47 -8.888 -7.638 -6.576 354 H GLY 48 H GLY 48 -9.212 -4.938 -2.832 355 HA2 GLY 48 2HA GLY 48 -11.495 -4.892 -2.079 356 HA3 GLY 48 1HA GLY 48 -11.357 -6.607 -1.719 357 H GLN 49 H GLN 49 -8.664 -5.844 -0.360 358 HA GLN 49 HA GLN 49 -9.766 -5.503 2.262 359 HB2 GLN 49 2HB GLN 49 -6.986 -5.822 1.186 360 HB3 GLN 49 1HB GLN 49 -7.319 -5.550 2.887 361 HG2 GLN 49 2HG GLN 49 -8.723 -7.672 1.476 362 HG3 GLN 49 1HG GLN 49 -7.021 -7.989 1.907 363 HE21 GLN 49 1HE2 GLN 49 -9.428 -6.146 3.854 364 HE22 GLN 49 2HE2 GLN 49 -9.486 -7.314 5.104 365 H ASP 50 H ASP 50 -9.955 -3.644 3.277 366 HA ASP 50 HA ASP 50 -8.728 -1.313 2.060 367 HB2 ASP 50 2HB ASP 50 -10.649 -1.454 4.393 368 HB3 ASP 50 1HB ASP 50 -9.930 0.032 3.798 369 H VAL 51 H VAL 51 -7.223 -0.037 2.977 370 HA VAL 51 HA VAL 51 -5.920 -1.116 5.317 371 HB VAL 51 HB VAL 51 -5.071 -2.334 3.405 372 HG11 VAL 51 1HG1 VAL 51 -5.374 -0.740 1.600 373 HG12 VAL 51 2HG1 VAL 51 -3.691 -1.243 1.647 374 HG13 VAL 51 3HG1 VAL 51 -4.155 0.320 2.294 375 HG21 VAL 51 3HG2 VAL 51 -3.042 -0.451 4.581 376 HG22 VAL 51 1HG2 VAL 51 -2.657 -1.979 3.763 377 HG23 VAL 51 2HG2 VAL 51 -3.616 -1.971 5.260 378 H ILE 52 H ILE 52 -4.426 0.293 6.168 379 HA ILE 52 HA ILE 52 -4.634 3.109 5.281 380 HB ILE 52 HB ILE 52 -4.254 2.121 8.144 381 HG12 ILE 52 2HG1 ILE 52 -6.734 3.373 6.958 382 HG13 ILE 52 1HG1 ILE 52 -6.511 1.635 7.070 383 HG21 ILE 52 1HG2 ILE 52 -4.654 4.455 8.766 384 HG22 ILE 52 2HG2 ILE 52 -4.796 4.892 7.072 385 HG23 ILE 52 3HG2 ILE 52 -3.257 4.342 7.699 386 HD11 ILE 52 3HD1 ILE 52 -6.386 1.778 9.463 387 HD12 ILE 52 1HD1 ILE 52 -7.873 2.492 8.872 388 HD13 ILE 52 2HD1 ILE 52 -6.554 3.547 9.402 389 H PHE 53 H PHE 53 -2.676 4.066 4.923 390 HA PHE 53 HA PHE 53 -0.258 2.740 5.931 391 HB2 PHE 53 2HB PHE 53 0.756 2.807 3.685 392 HB3 PHE 53 1HB PHE 53 -0.539 1.642 3.770 393 HD1 PHE 53 1HD PHE 53 -2.753 2.238 2.688 394 HD2 PHE 53 2HD PHE 53 0.736 4.640 2.188 395 HE1 PHE 53 1HE PHE 53 -3.741 3.270 0.710 396 HE2 PHE 53 2HE PHE 53 -0.257 5.660 0.204 397 HZ PHE 53 HZ PHE 53 -2.489 4.979 -0.546 398 H ASP 54 H ASP 54 1.726 4.040 5.032 399 HA ASP 54 HA ASP 54 1.019 6.870 4.956 400 HB2 ASP 54 2HB ASP 54 3.503 5.573 6.109 401 HB3 ASP 54 1HB ASP 54 3.370 7.296 5.775 402 H LEU 55 H LEU 55 2.541 8.117 3.677 403 HA LEU 55 HA LEU 55 3.735 6.529 1.575 404 HB2 LEU 55 2HB LEU 55 1.536 7.023 0.776 405 HB3 LEU 55 1HB LEU 55 1.721 8.690 1.281 406 HG LEU 55 HG LEU 55 3.193 9.171 -0.547 407 HD11 LEU 55 1HD1 LEU 55 4.440 7.066 -0.500 408 HD12 LEU 55 2HD1 LEU 55 3.921 7.495 -2.114 409 HD13 LEU 55 3HD1 LEU 55 3.063 6.234 -1.217 410 HD21 LEU 55 3HD2 LEU 55 1.752 8.684 -2.453 411 HD22 LEU 55 1HD2 LEU 55 0.798 9.160 -1.052 412 HD23 LEU 55 2HD2 LEU 55 0.887 7.461 -1.526 413 H GLU 56 H GLU 56 5.538 7.250 0.935 414 HA GLU 56 HA GLU 56 6.320 10.007 1.466 415 HB2 GLU 56 2HB GLU 56 8.055 7.556 1.861 416 HB3 GLU 56 1HB GLU 56 8.624 9.217 1.957 417 HG2 GLU 56 2HG GLU 56 7.099 9.615 3.827 418 HG3 GLU 56 1HG GLU 56 6.586 7.933 3.760 419 H GLU 57 H GLU 57 7.645 10.881 -0.087 420 HA GLU 57 HA GLU 57 7.248 9.614 -2.639 421 HB2 GLU 57 2HB GLU 57 6.634 11.923 -2.472 422 HB3 GLU 57 1HB GLU 57 8.240 12.355 -1.919 423 HG2 GLU 57 2HG GLU 57 9.183 11.848 -4.050 424 HG3 GLU 57 1HG GLU 57 7.648 11.199 -4.625 425 H LYS 58 H LYS 58 8.591 8.285 -3.358 426 HA LYS 58 HA LYS 58 11.391 8.264 -2.656 427 HB2 LYS 58 2HB LYS 58 10.013 6.188 -2.880 428 HB3 LYS 58 1HB LYS 58 9.778 6.560 -4.567 429 HG2 LYS 58 2HG LYS 58 11.449 4.848 -4.323 430 HG3 LYS 58 1HG LYS 58 12.181 6.331 -4.949 431 HD2 LYS 58 2HD LYS 58 13.058 6.862 -2.749 432 HD3 LYS 58 1HD LYS 58 12.234 5.461 -2.055 433 HE2 LYS 58 2HE LYS 58 13.564 3.979 -3.418 434 HE3 LYS 58 1HE LYS 58 14.359 5.344 -4.183 435 HZ1 LYS 58 3HZ LYS 58 15.721 4.376 -2.454 436 HZ2 LYS 58 1HZ LYS 58 14.523 4.624 -1.307 437 HZ3 LYS 58 2HZ LYS 58 15.294 5.947 -2.020 438 H GLN 59 H GLN 59 12.020 10.224 -3.564 439 HA GLN 59 HA GLN 59 12.815 11.696 -5.072 440 HB2 GLN 59 2HB GLN 59 14.022 9.820 -6.110 441 HB3 GLN 59 1HB GLN 59 12.600 9.417 -7.062 442 HG2 GLN 59 2HG GLN 59 12.730 11.647 -8.108 443 HG3 GLN 59 1HG GLN 59 14.241 11.923 -7.248 444 HE21 GLN 59 1HE2 GLN 59 13.662 11.832 -10.062 445 HE22 GLN 59 2HE2 GLN 59 14.706 10.638 -10.741 446 H GLY 60 H GLY 60 10.632 9.878 -7.142 447 HA2 GLY 60 2HA GLY 60 8.737 12.123 -7.121 448 HA3 GLY 60 1HA GLY 60 9.333 11.528 -8.674 449 H LYS 61 H LYS 61 9.372 8.855 -6.864 450 HA LYS 61 HA LYS 61 6.860 7.951 -7.938 451 HB2 LYS 61 2HB LYS 61 8.956 6.730 -8.437 452 HB3 LYS 61 1HB LYS 61 9.217 6.475 -6.727 453 HG2 LYS 61 2HG LYS 61 8.382 4.475 -7.847 454 HG3 LYS 61 1HG LYS 61 7.267 5.060 -6.608 455 HD2 LYS 61 2HD LYS 61 6.037 4.381 -8.611 456 HD3 LYS 61 1HD LYS 61 5.909 6.118 -8.334 457 HE2 LYS 61 2HE LYS 61 7.605 6.527 -10.037 458 HE3 LYS 61 1HE LYS 61 7.773 4.791 -10.301 459 HZ1 LYS 61 3HZ LYS 61 6.371 5.804 -11.962 460 HZ2 LYS 61 1HZ LYS 61 5.305 6.386 -10.789 461 HZ3 LYS 61 2HZ LYS 61 5.470 4.725 -11.041 462 H ALA 62 H ALA 62 5.650 6.338 -6.451 463 HA ALA 62 HA ALA 62 5.624 7.309 -3.691 464 HB1 ALA 62 1HB ALA 62 3.938 8.535 -4.933 465 HB2 ALA 62 2HB ALA 62 3.134 7.396 -3.851 466 HB3 ALA 62 3HB ALA 62 3.278 7.035 -5.567 467 H TYR 63 H TYR 63 5.688 5.570 -2.290 468 HA TYR 63 HA TYR 63 4.200 3.222 -3.068 469 HB2 TYR 63 2HB TYR 63 5.879 1.668 -2.330 470 HB3 TYR 63 1HB TYR 63 6.510 2.678 -3.606 471 HD1 TYR 63 2HD TYR 63 7.977 4.757 -2.707 472 HD2 TYR 63 1HD TYR 63 7.119 1.236 -0.481 473 HE1 TYR 63 2HE TYR 63 9.932 5.186 -1.251 474 HE2 TYR 63 1HE TYR 63 9.057 1.658 0.957 475 HH TYR 63 HH TYR 63 11.143 2.825 0.867 476 H ALA 64 H ALA 64 3.268 2.174 -1.541 477 HA ALA 64 HA ALA 64 2.614 3.602 0.907 478 HB1 ALA 64 1HB ALA 64 1.001 1.831 1.246 479 HB2 ALA 64 2HB ALA 64 1.715 0.895 -0.071 480 HB3 ALA 64 3HB ALA 64 0.905 2.427 -0.408 481 H VAL 65 H VAL 65 3.174 3.232 2.876 482 HA VAL 65 HA VAL 65 4.708 0.839 3.582 483 HB VAL 65 HB VAL 65 6.302 2.164 4.922 484 HG11 VAL 65 1HG1 VAL 65 6.987 1.526 2.700 485 HG12 VAL 65 2HG1 VAL 65 7.656 3.102 3.115 486 HG13 VAL 65 3HG1 VAL 65 6.266 2.988 2.033 487 HG21 VAL 65 3HG2 VAL 65 5.024 4.585 3.648 488 HG22 VAL 65 1HG2 VAL 65 6.493 4.601 4.624 489 HG23 VAL 65 2HG2 VAL 65 4.955 4.137 5.354 490 H ASN 66 H ASN 66 4.869 0.609 5.982 491 HA ASN 66 HA ASN 66 3.873 0.335 8.012 492 HB2 ASN 66 2HB ASN 66 4.440 2.913 7.960 493 HB3 ASN 66 1HB ASN 66 2.743 3.083 7.729 494 HD21 ASN 66 1HD2 ASN 66 4.447 3.828 10.009 495 HD22 ASN 66 2HD2 ASN 66 3.680 3.191 11.412 496 H LEU 67 H LEU 67 2.394 -1.116 6.694 497 HA LEU 67 HA LEU 67 -0.202 -0.034 6.166 498 HB2 LEU 67 2HB LEU 67 0.665 -2.890 6.106 499 HB3 LEU 67 1HB LEU 67 -0.852 -2.256 5.520 500 HG LEU 67 HG LEU 67 1.891 -1.921 4.320 501 HD11 LEU 67 1HD1 LEU 67 0.610 -3.916 3.895 502 HD12 LEU 67 2HD1 LEU 67 0.827 -2.878 2.454 503 HD13 LEU 67 3HD1 LEU 67 -0.697 -2.838 3.362 504 HD21 LEU 67 3HD2 LEU 67 -0.644 -0.477 3.565 505 HD22 LEU 67 1HD2 LEU 67 0.874 -0.479 2.657 506 HD23 LEU 67 2HD2 LEU 67 0.817 0.255 4.255 507 H ARG 68 H ARG 68 -2.044 -0.272 7.214 508 HA ARG 68 HA ARG 68 -2.189 -1.863 9.664 509 HB2 ARG 68 2HB ARG 68 -3.500 0.648 8.833 510 HB3 ARG 68 1HB ARG 68 -4.010 -0.257 10.203 511 HG2 ARG 68 2HG ARG 68 -2.868 1.611 11.076 512 HG3 ARG 68 1HG ARG 68 -1.632 0.363 11.125 513 HD2 ARG 68 2HD ARG 68 -0.519 1.257 9.266 514 HD3 ARG 68 1HD ARG 68 -1.924 2.212 8.776 515 HE ARG 68 HE ARG 68 -1.210 3.027 11.307 516 HH11 ARG 68 1HH1 ARG 68 0.333 3.056 8.135 517 HH12 ARG 68 2HH1 ARG 68 1.095 4.580 8.394 518 HH21 ARG 68 1HH2 ARG 68 -0.200 5.138 11.589 519 HH22 ARG 68 2HH2 ARG 68 0.770 5.764 10.333 520 H ILE 69 H ILE 69 -4.007 -3.339 9.434 521 HA ILE 69 HA ILE 69 -5.569 -3.023 7.119 522 HB ILE 69 HB ILE 69 -6.889 -4.893 8.012 523 HG12 ILE 69 2HG1 ILE 69 -6.623 -4.668 10.479 524 HG13 ILE 69 1HG1 ILE 69 -6.082 -6.220 9.880 525 HG21 ILE 69 1HG2 ILE 69 -5.220 -6.596 7.666 526 HG22 ILE 69 2HG2 ILE 69 -3.971 -5.359 7.826 527 HG23 ILE 69 3HG2 ILE 69 -5.166 -5.249 6.517 528 HD11 ILE 69 3HD1 ILE 69 -4.667 -5.523 11.616 529 HD12 ILE 69 1HD1 ILE 69 -4.314 -3.986 10.866 530 HD13 ILE 69 2HD1 ILE 69 -3.740 -5.499 10.129 531 H LYS 70 H LYS 70 -7.418 -2.096 6.930 532 HA LYS 70 HA LYS 70 -8.422 -0.341 8.842 533 HB2 LYS 70 2HB LYS 70 -8.975 -0.268 6.353 534 HB3 LYS 70 1HB LYS 70 -10.036 -1.623 6.646 535 HG2 LYS 70 2HG LYS 70 -11.310 -0.376 8.241 536 HG3 LYS 70 1HG LYS 70 -10.277 1.031 7.954 537 HD2 LYS 70 2HD LYS 70 -10.968 1.055 5.621 538 HD3 LYS 70 1HD LYS 70 -12.000 -0.349 5.898 539 HE2 LYS 70 2HE LYS 70 -13.268 0.930 7.546 540 HE3 LYS 70 1HE LYS 70 -12.274 2.347 7.207 541 HZ1 LYS 70 3HZ LYS 70 -14.382 2.415 6.006 542 HZ2 LYS 70 1HZ LYS 70 -14.025 0.948 5.264 543 HZ3 LYS 70 2HZ LYS 70 -13.096 2.324 4.926 Start of MODEL 5 1 H1 MET 1 1HT MET 1 4.769 15.487 2.843 2 H2 MET 1 2HT MET 1 4.769 14.145 1.870 3 H3 MET 1 3HT MET 1 6.184 14.562 2.695 4 HA MET 1 HA MET 1 5.098 12.696 3.771 5 HB2 MET 1 2HB MET 1 4.699 15.283 5.278 6 HB3 MET 1 1HB MET 1 4.559 13.699 5.995 7 HG2 MET 1 2HG MET 1 7.100 14.780 4.779 8 HG3 MET 1 1HG MET 1 6.670 14.967 6.468 9 HE1 MET 1 2HE MET 1 8.075 12.630 3.702 10 HE2 MET 1 3HE MET 1 6.600 11.692 3.916 11 HE3 MET 1 1HE MET 1 8.142 11.048 4.460 12 H ALA 2 H ALA 2 3.332 11.545 3.738 13 HA ALA 2 HA ALA 2 0.795 12.902 4.134 14 HB1 ALA 2 1HB ALA 2 -0.218 11.352 2.500 15 HB2 ALA 2 2HB ALA 2 1.386 10.719 2.127 16 HB3 ALA 2 3HB ALA 2 0.990 12.394 1.746 17 H THR 3 H THR 3 0.153 12.165 6.036 18 HA THR 3 HA THR 3 0.833 9.416 6.763 19 HB THR 3 HB THR 3 0.559 10.222 9.120 20 HG1 THR 3 1HG THR 3 -0.701 12.104 8.587 21 HG21 THR 3 3HG2 THR 3 2.644 11.673 7.469 22 HG22 THR 3 1HG2 THR 3 2.796 10.039 8.110 23 HG23 THR 3 2HG2 THR 3 2.716 11.415 9.212 24 H ASN 4 H ASN 4 -0.679 8.162 7.708 25 HA ASN 4 HA ASN 4 -2.727 7.214 7.991 26 HB2 ASN 4 2HB ASN 4 -3.600 10.048 8.647 27 HB3 ASN 4 1HB ASN 4 -4.554 8.606 8.964 28 HD21 ASN 4 1HD2 ASN 4 -3.981 7.286 10.646 29 HD22 ASN 4 2HD2 ASN 4 -2.827 7.718 11.853 30 H ILE 5 H ILE 5 -2.646 6.759 5.749 31 HA ILE 5 HA ILE 5 -4.497 8.345 4.145 32 HB ILE 5 HB ILE 5 -2.512 6.261 3.230 33 HG12 ILE 5 2HG1 ILE 5 -2.360 9.280 3.319 34 HG13 ILE 5 1HG1 ILE 5 -1.335 8.076 4.097 35 HG21 ILE 5 1HG2 ILE 5 -4.424 6.479 1.728 36 HG22 ILE 5 2HG2 ILE 5 -2.958 7.111 0.979 37 HG23 ILE 5 3HG2 ILE 5 -4.172 8.228 1.624 38 HD11 ILE 5 3HD1 ILE 5 -0.459 7.363 2.024 39 HD12 ILE 5 1HD1 ILE 5 -0.260 9.116 2.182 40 HD13 ILE 5 2HD1 ILE 5 -1.541 8.449 1.154 41 H VAL 6 H VAL 6 -6.111 7.456 3.052 42 HA VAL 6 HA VAL 6 -7.092 4.896 4.064 43 HB VAL 6 HB VAL 6 -8.497 7.175 2.703 44 HG11 VAL 6 1HG1 VAL 6 -9.469 5.129 2.053 45 HG12 VAL 6 2HG1 VAL 6 -10.591 5.966 3.130 46 HG13 VAL 6 3HG1 VAL 6 -9.644 4.575 3.721 47 HG21 VAL 6 3HG2 VAL 6 -8.627 6.216 5.561 48 HG22 VAL 6 1HG2 VAL 6 -9.646 7.477 4.855 49 HG23 VAL 6 2HG2 VAL 6 -7.901 7.713 4.963 50 H GLY 7 H GLY 7 -7.170 3.272 2.635 51 HA2 GLY 7 2HA GLY 7 -8.435 3.544 0.320 52 HA3 GLY 7 1HA GLY 7 -6.812 3.536 -0.257 53 H LYS 8 H LYS 8 -8.306 1.848 -1.149 54 HA LYS 8 HA LYS 8 -8.287 -0.589 0.429 55 HB2 LYS 8 2HB LYS 8 -10.383 0.187 -0.518 56 HB3 LYS 8 1HB LYS 8 -9.657 0.208 -2.114 57 HG2 LYS 8 2HG LYS 8 -9.423 -2.194 -2.067 58 HG3 LYS 8 1HG LYS 8 -10.079 -2.245 -0.425 59 HD2 LYS 8 2HD LYS 8 -11.552 -1.159 -2.819 60 HD3 LYS 8 1HD LYS 8 -11.760 -2.793 -2.188 61 HE2 LYS 8 2HE LYS 8 -12.592 -1.912 -0.085 62 HE3 LYS 8 1HE LYS 8 -12.251 -0.263 -0.592 63 HZ1 LYS 8 3HZ LYS 8 -14.201 -2.055 -1.929 64 HZ2 LYS 8 1HZ LYS 8 -13.895 -0.436 -2.288 65 HZ3 LYS 8 2HZ LYS 8 -14.598 -0.850 -0.821 66 H VAL 9 H VAL 9 -7.195 -2.311 -0.224 67 HA VAL 9 HA VAL 9 -4.923 -2.032 -1.815 68 HB VAL 9 HB VAL 9 -6.399 -4.596 -1.079 69 HG11 VAL 9 1HG1 VAL 9 -4.853 -4.966 -2.941 70 HG12 VAL 9 2HG1 VAL 9 -4.245 -5.716 -1.458 71 HG13 VAL 9 3HG1 VAL 9 -3.551 -4.199 -2.025 72 HG21 VAL 9 3HG2 VAL 9 -4.077 -3.217 0.261 73 HG22 VAL 9 1HG2 VAL 9 -4.752 -4.781 0.719 74 HG23 VAL 9 2HG2 VAL 9 -5.727 -3.321 0.878 75 H LYS 10 H LYS 10 -4.929 -1.563 -3.787 76 HA LYS 10 HA LYS 10 -7.119 -1.805 -5.566 77 HB2 LYS 10 2HB LYS 10 -5.367 -0.041 -5.527 78 HB3 LYS 10 1HB LYS 10 -4.205 -1.220 -6.070 79 HG2 LYS 10 2HG LYS 10 -5.447 -1.396 -8.199 80 HG3 LYS 10 1HG LYS 10 -6.547 -0.131 -7.613 81 HD2 LYS 10 2HD LYS 10 -4.635 1.374 -7.269 82 HD3 LYS 10 1HD LYS 10 -3.570 0.118 -7.876 83 HE2 LYS 10 2HE LYS 10 -3.902 1.713 -9.486 84 HE3 LYS 10 1HE LYS 10 -4.716 0.235 -10.039 85 HZ1 LYS 10 3HZ LYS 10 -5.900 2.761 -9.017 86 HZ2 LYS 10 1HZ LYS 10 -6.833 1.355 -9.142 87 HZ3 LYS 10 2HZ LYS 10 -6.154 2.029 -10.511 88 H TRP 11 H TRP 11 -4.062 -3.457 -5.088 89 HA TRP 11 HA TRP 11 -4.939 -5.984 -5.523 90 HB2 TRP 11 2HB TRP 11 -3.798 -6.642 -7.611 91 HB3 TRP 11 1HB TRP 11 -5.151 -5.604 -7.934 92 HD1 TRP 11 HD TRP 11 -4.533 -3.148 -8.972 93 HE1 TRP 11 1HE TRP 11 -2.418 -2.313 -10.183 94 HE3 TRP 11 3HE TRP 11 -1.379 -6.839 -7.615 95 HZ2 TRP 11 2HZ TRP 11 0.272 -3.144 -10.502 96 HZ3 TRP 11 3HZ TRP 11 0.986 -6.771 -8.407 97 HH2 TRP 11 HH TRP 11 1.767 -4.970 -9.813 98 H TYR 12 H TYR 12 -3.212 -7.496 -5.418 99 HA TYR 12 HA TYR 12 -0.601 -6.385 -4.835 100 HB2 TYR 12 2HB TYR 12 -1.761 -6.299 -2.648 101 HB3 TYR 12 1HB TYR 12 -2.085 -8.024 -2.762 102 HD1 TYR 12 2HD TYR 12 0.656 -5.541 -2.568 103 HD2 TYR 12 1HD TYR 12 -0.476 -9.592 -2.006 104 HE1 TYR 12 2HE TYR 12 2.831 -5.992 -1.504 105 HE2 TYR 12 1HE TYR 12 1.693 -10.059 -0.942 106 HH TYR 12 HH TYR 12 3.754 -7.617 0.082 107 H ASN 13 H ASN 13 0.796 -7.535 -5.849 108 HA ASN 13 HA ASN 13 0.247 -10.272 -6.646 109 HB2 ASN 13 2HB ASN 13 1.235 -8.683 -8.268 110 HB3 ASN 13 1HB ASN 13 2.603 -8.409 -7.195 111 HD21 ASN 13 1HD2 ASN 13 2.625 -9.237 -9.911 112 HD22 ASN 13 2HD2 ASN 13 3.347 -10.791 -10.006 113 H SER 14 H SER 14 0.629 -11.715 -5.036 114 HA SER 14 HA SER 14 2.442 -11.079 -2.923 115 HB2 SER 14 2HB SER 14 0.782 -13.556 -3.425 116 HB3 SER 14 1HB SER 14 1.665 -13.202 -1.939 117 HG SER 14 HG SER 14 -0.752 -12.303 -2.762 118 H THR 15 H THR 15 2.808 -12.545 -5.934 119 HA THR 15 HA THR 15 4.908 -14.343 -5.197 120 HB THR 15 HB THR 15 4.163 -13.241 -7.926 121 HG1 THR 15 1HG THR 15 2.974 -15.068 -6.262 122 HG21 THR 15 3HG2 THR 15 6.387 -14.303 -7.845 123 HG22 THR 15 1HG2 THR 15 5.250 -15.279 -8.774 124 HG23 THR 15 2HG2 THR 15 5.670 -15.748 -7.128 125 H LYS 16 H LYS 16 4.637 -11.159 -6.733 126 HA LYS 16 HA LYS 16 7.535 -10.854 -6.551 127 HB2 LYS 16 2HB LYS 16 5.477 -9.220 -8.009 128 HB3 LYS 16 1HB LYS 16 7.190 -8.816 -7.950 129 HG2 LYS 16 2HG LYS 16 7.727 -10.938 -9.035 130 HG3 LYS 16 1HG LYS 16 6.010 -11.341 -9.094 131 HD2 LYS 16 2HD LYS 16 5.587 -9.428 -10.506 132 HD3 LYS 16 1HD LYS 16 7.276 -8.936 -10.376 133 HE2 LYS 16 2HE LYS 16 7.966 -10.984 -11.487 134 HE3 LYS 16 1HE LYS 16 6.294 -11.514 -11.601 135 HZ1 LYS 16 3HZ LYS 16 5.837 -9.591 -13.017 136 HZ2 LYS 16 1HZ LYS 16 7.054 -10.539 -13.677 137 HZ3 LYS 16 2HZ LYS 16 7.442 -9.101 -12.923 138 H ASN 17 H ASN 17 4.852 -10.050 -4.741 139 HA ASN 17 HA ASN 17 4.589 -8.893 -2.835 140 HB2 ASN 17 2HB ASN 17 7.598 -8.640 -3.014 141 HB3 ASN 17 1HB ASN 17 6.674 -8.050 -1.642 142 HD21 ASN 17 1HD2 ASN 17 4.750 -10.209 -1.636 143 HD22 ASN 17 2HD2 ASN 17 5.573 -11.617 -1.092 144 H PHE 18 H PHE 18 4.403 -7.584 -5.420 145 HA PHE 18 HA PHE 18 4.548 -4.811 -4.467 146 HB2 PHE 18 2HB PHE 18 4.914 -5.807 -7.309 147 HB3 PHE 18 1HB PHE 18 4.602 -4.131 -6.908 148 HD1 PHE 18 1HD PHE 18 6.277 -2.954 -5.396 149 HD2 PHE 18 2HD PHE 18 7.083 -6.641 -7.354 150 HE1 PHE 18 1HE PHE 18 8.688 -2.540 -5.168 151 HE2 PHE 18 2HE PHE 18 9.497 -6.237 -7.123 152 HZ PHE 18 HZ PHE 18 10.304 -4.189 -6.033 153 H GLY 19 H GLY 19 2.823 -3.454 -5.230 154 HA2 GLY 19 2HA GLY 19 0.656 -4.423 -6.729 155 HA3 GLY 19 1HA GLY 19 0.298 -4.530 -5.004 156 H PHE 20 H PHE 20 -1.347 -2.941 -5.575 157 HA PHE 20 HA PHE 20 -0.261 -0.276 -5.146 158 HB2 PHE 20 2HB PHE 20 -2.067 -1.029 -7.402 159 HB3 PHE 20 1HB PHE 20 -2.099 0.598 -6.710 160 HD1 PHE 20 1HD PHE 20 -0.206 -1.827 -8.713 161 HD2 PHE 20 2HD PHE 20 -0.255 2.115 -7.142 162 HE1 PHE 20 1HE PHE 20 1.624 -1.201 -10.237 163 HE2 PHE 20 2HE PHE 20 1.569 2.756 -8.663 164 HZ PHE 20 HZ PHE 20 2.512 1.094 -10.211 165 H ILE 21 H ILE 21 -2.049 1.288 -4.623 166 HA ILE 21 HA ILE 21 -4.351 0.076 -3.295 167 HB ILE 21 HB ILE 21 -2.409 1.897 -1.790 168 HG12 ILE 21 2HG1 ILE 21 -2.959 -1.053 -1.401 169 HG13 ILE 21 1HG1 ILE 21 -1.497 -0.381 -2.079 170 HG21 ILE 21 1HG2 ILE 21 -4.704 2.246 -1.135 171 HG22 ILE 21 2HG2 ILE 21 -3.816 1.414 0.145 172 HG23 ILE 21 3HG2 ILE 21 -4.921 0.511 -0.891 173 HD11 ILE 21 3HD1 ILE 21 -2.462 0.119 0.729 174 HD12 ILE 21 1HD1 ILE 21 -0.963 0.707 0.022 175 HD13 ILE 21 2HD1 ILE 21 -1.194 -1.023 0.269 176 H GLU 22 H GLU 22 -6.139 1.437 -3.458 177 HA GLU 22 HA GLU 22 -5.726 4.300 -3.850 178 HB2 GLU 22 2HB GLU 22 -7.187 4.393 -5.776 179 HB3 GLU 22 1HB GLU 22 -5.942 3.203 -6.129 180 HG2 GLU 22 2HG GLU 22 -7.510 1.394 -5.582 181 HG3 GLU 22 1HG GLU 22 -8.731 2.610 -5.197 182 H GLN 23 H GLN 23 -7.648 5.449 -2.933 183 HA GLN 23 HA GLN 23 -9.372 3.458 -1.768 184 HB2 GLN 23 2HB GLN 23 -10.314 4.957 -0.210 185 HB3 GLN 23 1HB GLN 23 -8.598 5.268 -0.272 186 HG2 GLN 23 2HG GLN 23 -10.671 6.986 -1.543 187 HG3 GLN 23 1HG GLN 23 -9.981 7.143 0.070 188 HE21 GLN 23 1HE2 GLN 23 -7.818 7.550 0.230 189 HE22 GLN 23 2HE2 GLN 23 -6.946 8.422 -0.923 190 H ASP 24 H ASP 24 -11.587 3.734 -1.723 191 HA ASP 24 HA ASP 24 -12.578 3.498 -4.296 192 HB2 ASP 24 2HB ASP 24 -14.090 4.062 -1.759 193 HB3 ASP 24 1HB ASP 24 -14.781 3.505 -3.275 194 H ASN 25 H ASN 25 -12.019 6.353 -2.573 195 HA ASN 25 HA ASN 25 -13.973 7.918 -4.009 196 HB2 ASN 25 2HB ASN 25 -11.787 8.822 -2.110 197 HB3 ASN 25 1HB ASN 25 -12.990 9.878 -2.826 198 HD21 ASN 25 1HD2 ASN 25 -15.144 7.840 -2.545 199 HD22 ASN 25 2HD2 ASN 25 -15.535 7.818 -0.873 200 H GLY 26 H GLY 26 -11.071 6.610 -4.893 201 HA2 GLY 26 2HA GLY 26 -10.363 7.028 -7.167 202 HA3 GLY 26 1HA GLY 26 -10.691 8.731 -6.904 203 H GLY 27 H GLY 27 -8.837 6.315 -5.028 204 HA2 GLY 27 2HA GLY 27 -6.847 8.202 -4.412 205 HA3 GLY 27 1HA GLY 27 -6.680 6.497 -4.103 206 H LYS 28 H LYS 28 -4.680 8.310 -4.952 207 HA LYS 28 HA LYS 28 -4.223 8.124 -7.751 208 HB2 LYS 28 2HB LYS 28 -2.087 9.159 -7.283 209 HB3 LYS 28 1HB LYS 28 -3.426 10.019 -6.552 210 HG2 LYS 28 2HG LYS 28 -2.857 9.002 -4.394 211 HG3 LYS 28 1HG LYS 28 -1.466 8.218 -5.160 212 HD2 LYS 28 2HD LYS 28 -0.674 10.350 -5.894 213 HD3 LYS 28 1HD LYS 28 -2.043 11.129 -5.103 214 HE2 LYS 28 2HE LYS 28 -1.255 10.229 -2.901 215 HE3 LYS 28 1HE LYS 28 0.145 9.539 -3.711 216 HZ1 LYS 28 3HZ LYS 28 0.685 11.627 -2.619 217 HZ2 LYS 28 1HZ LYS 28 -0.498 12.419 -3.475 218 HZ3 LYS 28 2HZ LYS 28 0.854 11.825 -4.295 219 H ASP 29 H ASP 29 -1.777 7.445 -8.282 220 HA ASP 29 HA ASP 29 -1.772 4.588 -7.829 221 HB2 ASP 29 2HB ASP 29 0.073 6.282 -9.536 222 HB3 ASP 29 1HB ASP 29 0.077 4.531 -9.472 223 H VAL 30 H VAL 30 -1.047 4.151 -5.830 224 HA VAL 30 HA VAL 30 1.760 4.755 -5.426 225 HB VAL 30 HB VAL 30 0.618 6.135 -3.752 226 HG11 VAL 30 1HG1 VAL 30 -1.534 4.958 -3.671 227 HG12 VAL 30 2HG1 VAL 30 -0.806 5.255 -2.072 228 HG13 VAL 30 3HG1 VAL 30 -0.727 3.639 -2.784 229 HG21 VAL 30 3HG2 VAL 30 1.756 3.652 -2.510 230 HG22 VAL 30 1HG2 VAL 30 1.460 5.168 -1.668 231 HG23 VAL 30 2HG2 VAL 30 2.632 5.108 -2.983 232 H PHE 31 H PHE 31 2.987 3.024 -5.238 233 HA PHE 31 HA PHE 31 1.545 0.534 -5.306 234 HB2 PHE 31 2HB PHE 31 3.661 -0.543 -5.988 235 HB3 PHE 31 1HB PHE 31 3.172 0.754 -7.064 236 HD1 PHE 31 2HD PHE 31 4.467 2.831 -7.107 237 HD2 PHE 31 1HD PHE 31 5.689 -0.494 -4.766 238 HE1 PHE 31 2HE PHE 31 6.707 3.779 -6.961 239 HE2 PHE 31 1HE PHE 31 7.957 0.450 -4.597 240 HZ PHE 31 HZ PHE 31 8.477 2.594 -5.697 241 H VAL 32 H VAL 32 1.950 -1.187 -4.046 242 HA VAL 32 HA VAL 32 3.098 -0.462 -1.453 243 HB VAL 32 HB VAL 32 0.675 -0.944 -1.336 244 HG11 VAL 32 1HG1 VAL 32 1.390 -3.671 -2.358 245 HG12 VAL 32 2HG1 VAL 32 0.419 -2.452 -3.194 246 HG13 VAL 32 3HG1 VAL 32 -0.188 -3.207 -1.716 247 HG21 VAL 32 3HG2 VAL 32 0.715 -2.669 0.409 248 HG22 VAL 32 1HG2 VAL 32 1.976 -1.466 0.649 249 HG23 VAL 32 2HG2 VAL 32 2.377 -3.056 -0.017 250 H HIS 33 H HIS 33 4.550 -1.819 -0.515 251 HA HIS 33 HA HIS 33 5.406 -4.186 -2.041 252 HB2 HIS 33 2HB HIS 33 6.889 -2.280 -2.642 253 HB3 HIS 33 1HB HIS 33 7.254 -2.045 -0.935 254 HD1 HIS 33 1HD HIS 33 7.241 -5.180 -3.092 255 HD2 HIS 33 2HD HIS 33 9.693 -3.064 -0.514 256 HE1 HIS 33 1HE HIS 33 9.226 -6.580 -2.803 257 HE2 HIS 33 2HE HIS 33 10.662 -5.379 -1.125 258 H LYS 34 H LYS 34 6.588 -5.711 -0.777 259 HA LYS 34 HA LYS 34 5.240 -6.127 1.644 260 HB2 LYS 34 2HB LYS 34 5.826 -8.027 0.319 261 HB3 LYS 34 1HB LYS 34 7.536 -7.656 0.433 262 HG2 LYS 34 2HG LYS 34 7.607 -8.329 2.718 263 HG3 LYS 34 1HG LYS 34 5.847 -8.365 2.816 264 HD2 LYS 34 2HD LYS 34 5.703 -10.160 1.375 265 HD3 LYS 34 1HD LYS 34 7.432 -10.112 0.984 266 HE2 LYS 34 2HE LYS 34 6.235 -10.702 3.702 267 HE3 LYS 34 1HE LYS 34 6.802 -11.934 2.580 268 HZ1 LYS 34 3HZ LYS 34 9.038 -11.032 2.766 269 HZ2 LYS 34 1HZ LYS 34 8.429 -11.445 4.267 270 HZ3 LYS 34 2HZ LYS 34 8.506 -9.837 3.863 271 H SER 35 H SER 35 8.146 -4.507 1.059 272 HA SER 35 HA SER 35 9.313 -4.575 3.620 273 HB2 SER 35 2HB SER 35 10.366 -3.470 1.662 274 HB3 SER 35 1HB SER 35 9.137 -2.212 1.720 275 HG SER 35 HG SER 35 10.743 -2.800 3.945 276 H ALA 36 H ALA 36 6.371 -2.991 2.580 277 HA ALA 36 HA ALA 36 6.130 -1.435 4.978 278 HB1 ALA 36 1HB ALA 36 4.052 -2.195 2.975 279 HB2 ALA 36 2HB ALA 36 5.101 -0.769 2.881 280 HB3 ALA 36 3HB ALA 36 3.940 -0.942 4.221 281 H VAL 37 H VAL 37 4.964 -4.498 3.746 282 HA VAL 37 HA VAL 37 3.332 -5.231 5.930 283 HB VAL 37 HB VAL 37 5.002 -7.034 4.107 284 HG11 VAL 37 1HG1 VAL 37 2.847 -7.806 6.091 285 HG12 VAL 37 2HG1 VAL 37 4.530 -8.121 6.304 286 HG13 VAL 37 3HG1 VAL 37 3.665 -8.903 4.980 287 HG21 VAL 37 3HG2 VAL 37 3.223 -5.790 2.951 288 HG22 VAL 37 1HG2 VAL 37 2.047 -6.388 4.122 289 HG23 VAL 37 2HG2 VAL 37 2.855 -7.510 3.028 290 H ASP 38 H ASP 38 6.689 -5.725 5.170 291 HA ASP 38 HA ASP 38 7.537 -7.132 7.396 292 HB2 ASP 38 2HB ASP 38 8.851 -6.805 5.347 293 HB3 ASP 38 1HB ASP 38 9.040 -5.109 5.747 294 H ALA 39 H ALA 39 7.012 -3.696 6.934 295 HA ALA 39 HA ALA 39 8.377 -2.815 9.247 296 HB1 ALA 39 1HB ALA 39 7.802 -1.335 7.384 297 HB2 ALA 39 2HB ALA 39 7.243 -0.704 8.933 298 HB3 ALA 39 3HB ALA 39 6.099 -1.463 7.825 299 H ALA 40 H ALA 40 5.163 -4.142 8.877 300 HA ALA 40 HA ALA 40 4.733 -3.634 11.764 301 HB1 ALA 40 1HB ALA 40 2.377 -3.189 11.393 302 HB2 ALA 40 2HB ALA 40 2.579 -3.441 9.658 303 HB3 ALA 40 3HB ALA 40 3.362 -2.073 10.447 304 H GLY 41 H GLY 41 5.084 -5.935 9.492 305 HA2 GLY 41 2HA GLY 41 4.717 -8.096 9.292 306 HA3 GLY 41 1HA GLY 41 4.426 -8.224 10.990 307 H LEU 42 H LEU 42 2.830 -6.809 8.207 308 HA LEU 42 HA LEU 42 0.177 -7.388 9.035 309 HB2 LEU 42 2HB LEU 42 1.220 -5.691 7.282 310 HB3 LEU 42 1HB LEU 42 1.078 -7.035 6.183 311 HG LEU 42 HG LEU 42 -0.688 -5.468 5.908 312 HD11 LEU 42 1HD1 LEU 42 -1.707 -8.042 7.083 313 HD12 LEU 42 2HD1 LEU 42 -1.242 -7.754 5.406 314 HD13 LEU 42 3HD1 LEU 42 -2.651 -6.935 6.084 315 HD21 LEU 42 3HD2 LEU 42 -2.377 -5.047 7.618 316 HD22 LEU 42 1HD2 LEU 42 -0.761 -4.544 8.112 317 HD23 LEU 42 2HD2 LEU 42 -1.449 -6.030 8.763 318 H HIS 43 H HIS 43 -1.107 -9.237 8.387 319 HA HIS 43 HA HIS 43 0.359 -11.636 8.158 320 HB2 HIS 43 2HB HIS 43 -1.805 -11.570 9.272 321 HB3 HIS 43 1HB HIS 43 -2.595 -11.144 7.764 322 HD1 HIS 43 1HD HIS 43 -3.378 -13.053 6.319 323 HD2 HIS 43 2HD HIS 43 -0.776 -14.276 9.313 324 HE1 HIS 43 1HE HIS 43 -3.370 -15.554 6.220 325 HE2 HIS 43 2HE HIS 43 -1.588 -16.232 7.850 326 H SER 44 H SER 44 -1.952 -10.292 5.749 327 HA SER 44 HA SER 44 -0.313 -10.876 3.503 328 HB2 SER 44 2HB SER 44 -2.746 -12.654 3.980 329 HB3 SER 44 1HB SER 44 -1.816 -12.598 2.487 330 HG SER 44 HG SER 44 -0.231 -13.042 4.644 331 H LEU 45 H LEU 45 -1.560 -10.263 1.470 332 HA LEU 45 HA LEU 45 -4.017 -8.796 2.026 333 HB2 LEU 45 2HB LEU 45 -1.644 -7.557 0.625 334 HB3 LEU 45 1HB LEU 45 -3.245 -6.909 0.649 335 HG LEU 45 HG LEU 45 -1.585 -7.266 3.143 336 HD11 LEU 45 1HD1 LEU 45 -2.145 -4.813 1.475 337 HD12 LEU 45 2HD1 LEU 45 -0.589 -5.634 1.619 338 HD13 LEU 45 3HD1 LEU 45 -1.301 -4.842 3.023 339 HD21 LEU 45 3HD2 LEU 45 -4.166 -5.776 2.613 340 HD22 LEU 45 1HD2 LEU 45 -3.273 -5.790 4.132 341 HD23 LEU 45 2HD2 LEU 45 -4.010 -7.274 3.528 342 H GLU 46 H GLU 46 -5.275 -8.383 0.284 343 HA GLU 46 HA GLU 46 -4.487 -8.944 -2.349 344 HB2 GLU 46 2HB GLU 46 -6.319 -10.478 -2.872 345 HB3 GLU 46 1HB GLU 46 -5.221 -11.233 -1.735 346 HG2 GLU 46 2HG GLU 46 -7.898 -10.009 -1.065 347 HG3 GLU 46 1HG GLU 46 -7.610 -11.721 -1.325 348 H GLU 47 H GLU 47 -6.686 -8.523 -3.690 349 HA GLU 47 HA GLU 47 -7.206 -5.843 -2.983 350 HB2 GLU 47 2HB GLU 47 -8.718 -5.722 -4.917 351 HB3 GLU 47 1HB GLU 47 -7.164 -6.404 -5.337 352 HG2 GLU 47 2HG GLU 47 -9.673 -8.003 -4.864 353 HG3 GLU 47 1HG GLU 47 -9.115 -7.462 -6.442 354 H GLY 48 H GLY 48 -9.274 -4.840 -2.722 355 HA2 GLY 48 2HA GLY 48 -11.555 -4.911 -2.007 356 HA3 GLY 48 1HA GLY 48 -11.290 -6.551 -1.446 357 H GLN 49 H GLN 49 -8.754 -5.761 -0.113 358 HA GLN 49 HA GLN 49 -9.884 -5.159 2.423 359 HB2 GLN 49 2HB GLN 49 -7.113 -5.614 1.420 360 HB3 GLN 49 1HB GLN 49 -7.409 -5.147 3.081 361 HG2 GLN 49 2HG GLN 49 -8.861 -7.373 1.872 362 HG3 GLN 49 1HG GLN 49 -7.197 -7.680 2.428 363 HE21 GLN 49 1HE2 GLN 49 -9.557 -5.529 4.037 364 HE22 GLN 49 2HE2 GLN 49 -9.762 -6.541 5.405 365 H ASP 50 H ASP 50 -10.172 -3.253 3.288 366 HA ASP 50 HA ASP 50 -8.951 -0.910 2.104 367 HB2 ASP 50 2HB ASP 50 -10.575 -1.122 4.642 368 HB3 ASP 50 1HB ASP 50 -10.058 0.363 3.870 369 H VAL 51 H VAL 51 -7.236 0.147 2.898 370 HA VAL 51 HA VAL 51 -6.069 -0.911 5.308 371 HB VAL 51 HB VAL 51 -5.225 -2.192 3.434 372 HG11 VAL 51 1HG1 VAL 51 -5.347 -0.616 1.606 373 HG12 VAL 51 2HG1 VAL 51 -3.706 -1.204 1.748 374 HG13 VAL 51 3HG1 VAL 51 -4.121 0.394 2.366 375 HG21 VAL 51 3HG2 VAL 51 -3.147 -0.425 4.687 376 HG22 VAL 51 1HG2 VAL 51 -2.818 -1.989 3.917 377 HG23 VAL 51 2HG2 VAL 51 -3.856 -1.884 5.362 378 H ILE 52 H ILE 52 -4.611 0.429 6.216 379 HA ILE 52 HA ILE 52 -4.746 3.242 5.399 380 HB ILE 52 HB ILE 52 -4.448 2.027 8.167 381 HG12 ILE 52 2HG1 ILE 52 -6.783 3.534 6.974 382 HG13 ILE 52 1HG1 ILE 52 -6.703 1.785 7.133 383 HG21 ILE 52 1HG2 ILE 52 -4.668 4.325 8.985 384 HG22 ILE 52 2HG2 ILE 52 -4.730 4.921 7.326 385 HG23 ILE 52 3HG2 ILE 52 -3.260 4.166 7.933 386 HD11 ILE 52 3HD1 ILE 52 -6.608 1.997 9.529 387 HD12 ILE 52 1HD1 ILE 52 -8.036 2.791 8.878 388 HD13 ILE 52 2HD1 ILE 52 -6.650 3.762 9.400 389 H PHE 53 H PHE 53 -2.779 4.159 5.061 390 HA PHE 53 HA PHE 53 -0.410 2.858 6.130 391 HB2 PHE 53 2HB PHE 53 0.685 2.943 3.915 392 HB3 PHE 53 1HB PHE 53 -0.543 1.716 3.929 393 HD1 PHE 53 1HD PHE 53 -2.803 2.350 2.839 394 HD2 PHE 53 2HD PHE 53 0.739 4.670 2.359 395 HE1 PHE 53 1HE PHE 53 -3.738 3.369 0.826 396 HE2 PHE 53 2HE PHE 53 -0.198 5.677 0.338 397 HZ PHE 53 HZ PHE 53 -2.439 5.032 -0.434 398 H ASP 54 H ASP 54 1.524 4.223 5.203 399 HA ASP 54 HA ASP 54 0.702 7.026 5.114 400 HB2 ASP 54 2HB ASP 54 3.228 5.891 6.374 401 HB3 ASP 54 1HB ASP 54 2.890 7.604 6.168 402 H LEU 55 H LEU 55 2.236 8.293 3.846 403 HA LEU 55 HA LEU 55 3.529 6.586 1.888 404 HB2 LEU 55 2HB LEU 55 1.417 7.164 0.958 405 HB3 LEU 55 1HB LEU 55 1.701 8.845 1.364 406 HG LEU 55 HG LEU 55 3.301 9.089 -0.416 407 HD11 LEU 55 1HD1 LEU 55 4.387 6.913 -0.168 408 HD12 LEU 55 2HD1 LEU 55 3.945 7.220 -1.840 409 HD13 LEU 55 3HD1 LEU 55 2.972 6.127 -0.859 410 HD21 LEU 55 3HD2 LEU 55 1.934 8.574 -2.355 411 HD22 LEU 55 1HD2 LEU 55 0.932 9.208 -1.053 412 HD23 LEU 55 2HD2 LEU 55 0.937 7.478 -1.403 413 H GLU 56 H GLU 56 5.376 6.988 1.536 414 HA GLU 56 HA GLU 56 6.560 9.651 1.926 415 HB2 GLU 56 2HB GLU 56 7.817 6.920 2.306 416 HB3 GLU 56 1HB GLU 56 8.681 8.449 2.398 417 HG2 GLU 56 2HG GLU 56 7.384 9.113 4.284 418 HG3 GLU 56 1HG GLU 56 6.414 7.644 4.192 419 H GLU 57 H GLU 57 7.928 10.306 0.290 420 HA GLU 57 HA GLU 57 7.515 8.823 -2.157 421 HB2 GLU 57 2HB GLU 57 8.729 11.552 -1.750 422 HB3 GLU 57 1HB GLU 57 8.571 10.739 -3.301 423 HG2 GLU 57 2HG GLU 57 6.110 10.685 -2.942 424 HG3 GLU 57 1HG GLU 57 6.353 11.674 -1.502 425 H LYS 58 H LYS 58 9.050 7.995 -3.391 426 HA LYS 58 HA LYS 58 11.480 7.238 -2.011 427 HB2 LYS 58 2HB LYS 58 10.015 5.660 -3.359 428 HB3 LYS 58 1HB LYS 58 10.416 6.609 -4.750 429 HG2 LYS 58 2HG LYS 58 11.778 4.728 -4.952 430 HG3 LYS 58 1HG LYS 58 12.846 5.971 -4.326 431 HD2 LYS 58 2HD LYS 58 11.498 3.872 -2.612 432 HD3 LYS 58 1HD LYS 58 13.103 3.687 -3.297 433 HE2 LYS 58 2HE LYS 58 13.827 5.686 -1.967 434 HE3 LYS 58 1HE LYS 58 12.201 5.752 -1.282 435 HZ1 LYS 58 3HZ LYS 58 13.967 3.400 -1.020 436 HZ2 LYS 58 1HZ LYS 58 12.483 3.654 -0.270 437 HZ3 LYS 58 2HZ LYS 58 13.813 4.588 0.157 438 H GLN 59 H GLN 59 10.568 8.400 -5.138 439 HA GLN 59 HA GLN 59 11.864 10.744 -5.460 440 HB2 GLN 59 2HB GLN 59 14.028 9.468 -5.224 441 HB3 GLN 59 1HB GLN 59 13.526 8.449 -6.566 442 HG2 GLN 59 2HG GLN 59 15.110 10.121 -7.311 443 HG3 GLN 59 1HG GLN 59 13.532 10.372 -8.047 444 HE21 GLN 59 1HE2 GLN 59 15.822 11.576 -5.777 445 HE22 GLN 59 2HE2 GLN 59 15.125 13.139 -5.580 446 H GLY 60 H GLY 60 9.898 10.963 -6.463 447 HA2 GLY 60 2HA GLY 60 8.553 11.031 -8.330 448 HA3 GLY 60 1HA GLY 60 9.708 9.990 -9.168 449 H LYS 61 H LYS 61 9.685 8.043 -7.034 450 HA LYS 61 HA LYS 61 7.317 6.616 -7.819 451 HB2 LYS 61 2HB LYS 61 9.700 5.685 -6.187 452 HB3 LYS 61 1HB LYS 61 8.434 4.663 -6.822 453 HG2 LYS 61 2HG LYS 61 10.369 6.278 -8.445 454 HG3 LYS 61 1HG LYS 61 10.434 4.536 -8.167 455 HD2 LYS 61 2HD LYS 61 8.335 4.242 -9.344 456 HD3 LYS 61 1HD LYS 61 8.163 5.987 -9.525 457 HE2 LYS 61 2HE LYS 61 10.107 6.111 -10.822 458 HE3 LYS 61 1HE LYS 61 10.439 4.379 -10.630 459 HZ1 LYS 61 3HZ LYS 61 8.118 5.606 -12.031 460 HZ2 LYS 61 1HZ LYS 61 8.323 3.962 -11.795 461 HZ3 LYS 61 2HZ LYS 61 9.410 4.812 -12.768 462 H ALA 62 H ALA 62 5.844 5.856 -6.237 463 HA ALA 62 HA ALA 62 6.064 7.031 -3.559 464 HB1 ALA 62 1HB ALA 62 4.555 8.411 -4.898 465 HB2 ALA 62 2HB ALA 62 3.602 7.508 -3.712 466 HB3 ALA 62 3HB ALA 62 3.653 6.987 -5.384 467 H TYR 63 H TYR 63 5.940 5.417 -2.058 468 HA TYR 63 HA TYR 63 4.337 3.122 -2.795 469 HB2 TYR 63 2HB TYR 63 5.964 1.573 -1.811 470 HB3 TYR 63 1HB TYR 63 6.571 2.417 -3.219 471 HD1 TYR 63 2HD TYR 63 7.951 4.653 -2.545 472 HD2 TYR 63 1HD TYR 63 7.365 1.273 -0.048 473 HE1 TYR 63 2HE TYR 63 9.960 5.257 -1.270 474 HE2 TYR 63 1HE TYR 63 9.380 1.876 1.247 475 HH TYR 63 HH TYR 63 10.829 4.877 0.998 476 H ALA 64 H ALA 64 3.212 2.221 -1.361 477 HA ALA 64 HA ALA 64 2.454 3.618 1.064 478 HB1 ALA 64 1HB ALA 64 0.887 1.797 1.335 479 HB2 ALA 64 2HB ALA 64 1.698 0.872 0.071 480 HB3 ALA 64 3HB ALA 64 0.854 2.365 -0.333 481 H VAL 65 H VAL 65 3.124 3.423 2.967 482 HA VAL 65 HA VAL 65 4.681 1.073 3.743 483 HB VAL 65 HB VAL 65 6.238 2.476 5.042 484 HG11 VAL 65 1HG1 VAL 65 6.925 1.833 2.829 485 HG12 VAL 65 2HG1 VAL 65 7.532 3.447 3.208 486 HG13 VAL 65 3HG1 VAL 65 6.142 3.255 2.143 487 HG21 VAL 65 3HG2 VAL 65 4.856 4.830 3.748 488 HG22 VAL 65 1HG2 VAL 65 6.327 4.914 4.719 489 HG23 VAL 65 2HG2 VAL 65 4.810 4.405 5.459 490 H ASN 66 H ASN 66 4.875 0.971 6.169 491 HA ASN 66 HA ASN 66 3.827 0.652 8.161 492 HB2 ASN 66 2HB ASN 66 4.211 3.208 8.183 493 HB3 ASN 66 1HB ASN 66 2.563 3.330 7.666 494 HD21 ASN 66 1HD2 ASN 66 2.020 4.464 9.513 495 HD22 ASN 66 2HD2 ASN 66 1.764 3.699 11.044 496 H LEU 67 H LEU 67 2.553 -0.946 6.741 497 HA LEU 67 HA LEU 67 -0.078 -0.067 6.114 498 HB2 LEU 67 2HB LEU 67 0.971 -2.875 5.996 499 HB3 LEU 67 1HB LEU 67 -0.583 -2.335 5.422 500 HG LEU 67 HG LEU 67 2.120 -1.754 4.223 501 HD11 LEU 67 1HD1 LEU 67 0.998 -3.808 3.686 502 HD12 LEU 67 2HD1 LEU 67 1.101 -2.644 2.329 503 HD13 LEU 67 3HD1 LEU 67 -0.411 -2.808 3.255 504 HD21 LEU 67 3HD2 LEU 67 -0.509 -0.441 3.556 505 HD22 LEU 67 1HD2 LEU 67 0.989 -0.320 2.627 506 HD23 LEU 67 2HD2 LEU 67 0.915 0.353 4.250 507 H ARG 68 H ARG 68 -1.876 -0.317 7.064 508 HA ARG 68 HA ARG 68 -2.112 -1.840 9.530 509 HB2 ARG 68 2HB ARG 68 -2.733 0.983 8.814 510 HB3 ARG 68 1HB ARG 68 -3.500 0.185 10.169 511 HG2 ARG 68 2HG ARG 68 -1.312 0.010 11.226 512 HG3 ARG 68 1HG ARG 68 -0.543 0.618 9.753 513 HD2 ARG 68 2HD ARG 68 -0.737 2.374 11.393 514 HD3 ARG 68 1HD ARG 68 -1.736 2.713 9.990 515 HE ARG 68 HE ARG 68 -3.098 1.406 12.174 516 HH11 ARG 68 1HH1 ARG 68 -2.263 4.512 10.669 517 HH12 ARG 68 2HH1 ARG 68 -3.543 5.348 11.422 518 HH21 ARG 68 1HH2 ARG 68 -4.850 2.603 13.200 519 HH22 ARG 68 2HH2 ARG 68 -5.015 4.265 12.886 520 H ILE 69 H ILE 69 -4.041 -3.037 9.330 521 HA ILE 69 HA ILE 69 -5.650 -2.497 7.035 522 HB ILE 69 HB ILE 69 -7.203 -4.298 7.899 523 HG12 ILE 69 2HG1 ILE 69 -6.197 -5.911 9.593 524 HG13 ILE 69 1HG1 ILE 69 -5.045 -4.659 10.001 525 HG21 ILE 69 1HG2 ILE 69 -5.730 -6.139 7.327 526 HG22 ILE 69 2HG2 ILE 69 -4.353 -5.037 7.425 527 HG23 ILE 69 3HG2 ILE 69 -5.609 -4.775 6.212 528 HD11 ILE 69 3HD1 ILE 69 -8.030 -4.507 10.327 529 HD12 ILE 69 1HD1 ILE 69 -6.888 -3.236 10.758 530 HD13 ILE 69 2HD1 ILE 69 -6.853 -4.781 11.614 531 H LYS 70 H LYS 70 -7.736 -1.730 6.898 532 HA LYS 70 HA LYS 70 -8.448 0.309 8.690 533 HB2 LYS 70 2HB LYS 70 -9.225 0.105 6.283 534 HB3 LYS 70 1HB LYS 70 -10.302 -1.177 6.822 535 HG2 LYS 70 2HG LYS 70 -11.327 0.431 8.385 536 HG3 LYS 70 1HG LYS 70 -10.310 1.684 7.676 537 HD2 LYS 70 2HD LYS 70 -12.355 1.957 6.537 538 HD3 LYS 70 1HD LYS 70 -11.375 0.990 5.442 539 HE2 LYS 70 2HE LYS 70 -13.485 -0.125 7.322 540 HE3 LYS 70 1HE LYS 70 -13.748 0.226 5.628 541 HZ1 LYS 70 3HZ LYS 70 -13.387 -2.095 6.086 542 HZ2 LYS 70 1HZ LYS 70 -11.830 -1.848 6.650 543 HZ3 LYS 70 2HZ LYS 70 -12.238 -1.537 5.026 Start of MODEL 6 1 H1 MET 1 1HT MET 1 3.954 15.282 1.798 2 H2 MET 1 2HT MET 1 5.077 16.004 2.816 3 H3 MET 1 3HT MET 1 3.422 16.371 2.941 4 HA MET 1 HA MET 1 4.572 13.716 3.445 5 HB2 MET 1 2HB MET 1 3.485 15.765 5.399 6 HB3 MET 1 1HB MET 1 3.887 14.112 5.802 7 HG2 MET 1 2HG MET 1 6.225 14.538 5.282 8 HG3 MET 1 1HG MET 1 5.821 16.196 4.831 9 HE1 MET 1 2HE MET 1 7.788 16.572 8.207 10 HE2 MET 1 3HE MET 1 7.736 17.014 6.501 11 HE3 MET 1 1HE MET 1 8.065 15.344 6.973 12 H ALA 2 H ALA 2 3.082 12.128 3.752 13 HA ALA 2 HA ALA 2 0.281 12.846 3.927 14 HB1 ALA 2 1HB ALA 2 -0.335 11.252 2.163 15 HB2 ALA 2 2HB ALA 2 1.376 10.907 1.878 16 HB3 ALA 2 3HB ALA 2 0.727 12.507 1.530 17 H THR 3 H THR 3 -0.008 12.082 5.892 18 HA THR 3 HA THR 3 1.038 9.435 6.580 19 HB THR 3 HB THR 3 0.841 10.312 8.942 20 HG1 THR 3 1HG THR 3 0.670 12.546 9.142 21 HG21 THR 3 3HG2 THR 3 2.656 11.853 7.069 22 HG22 THR 3 1HG2 THR 3 2.999 10.251 7.724 23 HG23 THR 3 2HG2 THR 3 2.901 11.646 8.803 24 H ASN 4 H ASN 4 -0.215 7.979 7.571 25 HA ASN 4 HA ASN 4 -2.076 6.691 7.787 26 HB2 ASN 4 2HB ASN 4 -2.129 8.004 9.952 27 HB3 ASN 4 1HB ASN 4 -3.225 9.134 9.171 28 HD21 ASN 4 1HD2 ASN 4 -5.364 8.548 8.872 29 HD22 ASN 4 2HD2 ASN 4 -6.076 7.164 9.621 30 H ILE 5 H ILE 5 -2.363 6.668 5.598 31 HA ILE 5 HA ILE 5 -4.402 8.396 4.406 32 HB ILE 5 HB ILE 5 -2.521 6.395 3.171 33 HG12 ILE 5 2HG1 ILE 5 -2.349 9.400 3.407 34 HG13 ILE 5 1HG1 ILE 5 -1.291 8.154 4.087 35 HG21 ILE 5 1HG2 ILE 5 -4.491 6.659 1.824 36 HG22 ILE 5 2HG2 ILE 5 -3.104 7.397 1.024 37 HG23 ILE 5 3HG2 ILE 5 -4.313 8.422 1.820 38 HD11 ILE 5 3HD1 ILE 5 -0.575 7.494 1.947 39 HD12 ILE 5 1HD1 ILE 5 -0.302 9.230 2.152 40 HD13 ILE 5 2HD1 ILE 5 -1.677 8.660 1.188 41 H VAL 6 H VAL 6 -6.145 7.564 3.399 42 HA VAL 6 HA VAL 6 -6.969 4.886 4.144 43 HB VAL 6 HB VAL 6 -8.635 6.700 4.381 44 HG11 VAL 6 1HG1 VAL 6 -8.419 7.067 1.430 45 HG12 VAL 6 2HG1 VAL 6 -7.936 8.212 2.676 46 HG13 VAL 6 3HG1 VAL 6 -9.637 7.794 2.472 47 HG21 VAL 6 3HG2 VAL 6 -9.291 4.688 2.243 48 HG22 VAL 6 1HG2 VAL 6 -10.499 5.613 3.150 49 HG23 VAL 6 2HG2 VAL 6 -9.450 4.448 3.974 50 H GLY 7 H GLY 7 -7.084 3.276 2.734 51 HA2 GLY 7 2HA GLY 7 -7.464 3.834 0.039 52 HA3 GLY 7 1HA GLY 7 -5.893 3.172 0.262 53 H LYS 8 H LYS 8 -7.456 1.831 -1.235 54 HA LYS 8 HA LYS 8 -8.083 -0.513 0.358 55 HB2 LYS 8 2HB LYS 8 -10.142 0.407 -0.546 56 HB3 LYS 8 1HB LYS 8 -9.417 0.512 -2.147 57 HG2 LYS 8 2HG LYS 8 -9.319 -1.846 -2.340 58 HG3 LYS 8 1HG LYS 8 -9.860 -2.065 -0.676 59 HD2 LYS 8 2HD LYS 8 -11.467 -0.697 -2.816 60 HD3 LYS 8 1HD LYS 8 -11.655 -2.414 -2.409 61 HE2 LYS 8 2HE LYS 8 -12.224 -1.761 -0.094 62 HE3 LYS 8 1HE LYS 8 -12.084 -0.067 -0.544 63 HZ1 LYS 8 3HZ LYS 8 -14.038 -1.978 -1.710 64 HZ2 LYS 8 1HZ LYS 8 -13.914 -0.301 -2.030 65 HZ3 LYS 8 2HZ LYS 8 -14.352 -0.851 -0.503 66 H VAL 9 H VAL 9 -7.205 -2.350 -0.329 67 HA VAL 9 HA VAL 9 -4.932 -2.191 -1.993 68 HB VAL 9 HB VAL 9 -6.375 -4.677 -0.982 69 HG11 VAL 9 1HG1 VAL 9 -4.898 -5.199 -2.851 70 HG12 VAL 9 2HG1 VAL 9 -4.232 -5.834 -1.344 71 HG13 VAL 9 3HG1 VAL 9 -3.561 -4.366 -2.047 72 HG21 VAL 9 3HG2 VAL 9 -4.017 -3.199 0.188 73 HG22 VAL 9 1HG2 VAL 9 -4.672 -4.724 0.783 74 HG23 VAL 9 2HG2 VAL 9 -5.647 -3.257 0.857 75 H LYS 10 H LYS 10 -5.130 -1.820 -4.039 76 HA LYS 10 HA LYS 10 -7.322 -2.485 -5.683 77 HB2 LYS 10 2HB LYS 10 -4.471 -1.727 -6.258 78 HB3 LYS 10 1HB LYS 10 -5.674 -1.959 -7.519 79 HG2 LYS 10 2HG LYS 10 -6.927 -0.108 -6.699 80 HG3 LYS 10 1HG LYS 10 -5.899 0.012 -5.267 81 HD2 LYS 10 2HD LYS 10 -5.333 1.722 -6.943 82 HD3 LYS 10 1HD LYS 10 -3.999 0.619 -6.649 83 HE2 LYS 10 2HE LYS 10 -4.222 1.123 -9.025 84 HE3 LYS 10 1HE LYS 10 -4.572 -0.578 -8.733 85 HZ1 LYS 10 3HZ LYS 10 -6.640 1.526 -8.967 86 HZ2 LYS 10 1HZ LYS 10 -6.893 -0.123 -8.898 87 HZ3 LYS 10 2HZ LYS 10 -6.156 0.535 -10.263 88 H TRP 11 H TRP 11 -4.118 -3.841 -5.226 89 HA TRP 11 HA TRP 11 -4.890 -6.485 -5.478 90 HB2 TRP 11 2HB TRP 11 -3.725 -7.100 -7.557 91 HB3 TRP 11 1HB TRP 11 -5.101 -6.086 -7.903 92 HD1 TRP 11 HD TRP 11 -4.455 -3.496 -8.706 93 HE1 TRP 11 1HE TRP 11 -2.353 -2.644 -9.933 94 HE3 TRP 11 3HE TRP 11 -1.376 -7.418 -7.793 95 HZ2 TRP 11 2HZ TRP 11 0.279 -3.544 -10.446 96 HZ3 TRP 11 3HZ TRP 11 0.934 -7.365 -8.671 97 HH2 TRP 11 HH TRP 11 1.734 -5.465 -9.974 98 H TYR 12 H TYR 12 -3.066 -7.866 -5.390 99 HA TYR 12 HA TYR 12 -0.485 -6.798 -4.877 100 HB2 TYR 12 2HB TYR 12 -1.520 -6.226 -2.713 101 HB3 TYR 12 1HB TYR 12 -2.068 -7.886 -2.528 102 HD1 TYR 12 2HD TYR 12 1.005 -5.815 -2.833 103 HD2 TYR 12 1HD TYR 12 -0.682 -9.477 -1.478 104 HE1 TYR 12 2HE TYR 12 3.119 -6.365 -1.694 105 HE2 TYR 12 1HE TYR 12 1.417 -10.036 -0.343 106 HH TYR 12 HH TYR 12 3.735 -9.490 -0.416 107 H ASN 13 H ASN 13 0.572 -8.201 -5.954 108 HA ASN 13 HA ASN 13 -0.416 -10.901 -6.135 109 HB2 ASN 13 2HB ASN 13 0.537 -9.606 -8.125 110 HB3 ASN 13 1HB ASN 13 2.085 -9.760 -7.342 111 HD21 ASN 13 1HD2 ASN 13 -0.488 -11.574 -8.849 112 HD22 ASN 13 2HD2 ASN 13 0.419 -13.002 -9.127 113 H SER 14 H SER 14 0.010 -12.128 -4.459 114 HA SER 14 HA SER 14 2.054 -11.687 -2.613 115 HB2 SER 14 2HB SER 14 1.301 -13.964 -1.774 116 HB3 SER 14 1HB SER 14 0.054 -12.720 -1.892 117 HG SER 14 HG SER 14 -0.345 -14.935 -2.780 118 H THR 15 H THR 15 2.110 -13.294 -5.621 119 HA THR 15 HA THR 15 4.313 -15.007 -4.997 120 HB THR 15 HB THR 15 3.204 -14.203 -7.705 121 HG1 THR 15 1HG THR 15 1.588 -15.290 -6.641 122 HG21 THR 15 3HG2 THR 15 5.496 -15.159 -7.772 123 HG22 THR 15 1HG2 THR 15 4.307 -16.233 -8.514 124 HG23 THR 15 2HG2 THR 15 4.907 -16.568 -6.893 125 H LYS 16 H LYS 16 3.875 -11.898 -6.674 126 HA LYS 16 HA LYS 16 6.790 -11.668 -7.061 127 HB2 LYS 16 2HB LYS 16 4.586 -9.860 -8.145 128 HB3 LYS 16 1HB LYS 16 6.286 -9.822 -8.530 129 HG2 LYS 16 2HG LYS 16 4.539 -12.162 -9.092 130 HG3 LYS 16 1HG LYS 16 4.634 -10.772 -10.163 131 HD2 LYS 16 2HD LYS 16 6.132 -12.237 -11.058 132 HD3 LYS 16 1HD LYS 16 7.053 -11.089 -10.068 133 HE2 LYS 16 2HE LYS 16 7.423 -12.752 -8.329 134 HE3 LYS 16 1HE LYS 16 6.307 -13.872 -9.125 135 HZ1 LYS 16 3HZ LYS 16 8.924 -12.958 -10.177 136 HZ2 LYS 16 1HZ LYS 16 7.901 -14.092 -10.903 137 HZ3 LYS 16 2HZ LYS 16 8.622 -14.437 -9.433 138 H ASN 17 H ASN 17 4.496 -10.735 -4.828 139 HA ASN 17 HA ASN 17 4.605 -9.500 -2.916 140 HB2 ASN 17 2HB ASN 17 7.525 -8.957 -3.599 141 HB3 ASN 17 1HB ASN 17 6.732 -8.673 -2.091 142 HD21 ASN 17 1HD2 ASN 17 5.191 -11.168 -2.071 143 HD22 ASN 17 2HD2 ASN 17 6.345 -12.401 -1.774 144 H PHE 18 H PHE 18 3.968 -8.255 -5.594 145 HA PHE 18 HA PHE 18 4.314 -5.487 -4.701 146 HB2 PHE 18 2HB PHE 18 4.724 -6.492 -7.517 147 HB3 PHE 18 1HB PHE 18 4.390 -4.809 -7.163 148 HD1 PHE 18 1HD PHE 18 6.039 -3.480 -5.872 149 HD2 PHE 18 2HD PHE 18 6.883 -7.419 -7.225 150 HE1 PHE 18 1HE PHE 18 8.444 -3.059 -5.575 151 HE2 PHE 18 2HE PHE 18 9.288 -7.012 -6.924 152 HZ PHE 18 HZ PHE 18 10.074 -4.828 -6.099 153 H GLY 19 H GLY 19 2.663 -4.033 -5.306 154 HA2 GLY 19 2HA GLY 19 0.451 -4.826 -6.857 155 HA3 GLY 19 1HA GLY 19 0.089 -4.951 -5.140 156 H PHE 20 H PHE 20 -1.498 -3.279 -5.796 157 HA PHE 20 HA PHE 20 -0.331 -0.630 -5.418 158 HB2 PHE 20 2HB PHE 20 -2.225 -1.388 -7.617 159 HB3 PHE 20 1HB PHE 20 -2.201 0.232 -6.944 160 HD1 PHE 20 1HD PHE 20 -0.069 -2.303 -8.616 161 HD2 PHE 20 2HD PHE 20 -0.679 1.805 -7.736 162 HE1 PHE 20 1HE PHE 20 1.734 -1.702 -10.183 163 HE2 PHE 20 2HE PHE 20 1.122 2.414 -9.292 164 HZ PHE 20 HZ PHE 20 2.330 0.654 -10.521 165 H ILE 21 H ILE 21 -1.707 0.924 -4.505 166 HA ILE 21 HA ILE 21 -4.199 -0.064 -3.344 167 HB ILE 21 HB ILE 21 -2.021 1.446 -1.844 168 HG12 ILE 21 2HG1 ILE 21 -3.012 -1.388 -1.438 169 HG13 ILE 21 1HG1 ILE 21 -1.478 -0.951 -2.169 170 HG21 ILE 21 1HG2 ILE 21 -4.243 2.127 -1.163 171 HG22 ILE 21 2HG2 ILE 21 -3.461 1.191 0.114 172 HG23 ILE 21 3HG2 ILE 21 -4.696 0.443 -0.900 173 HD11 ILE 21 3HD1 ILE 21 -2.289 -0.346 0.672 174 HD12 ILE 21 1HD1 ILE 21 -0.743 0.037 -0.071 175 HD13 ILE 21 2HD1 ILE 21 -1.208 -1.645 0.156 176 H GLU 22 H GLU 22 -5.806 1.477 -3.539 177 HA GLU 22 HA GLU 22 -5.067 4.291 -3.607 178 HB2 GLU 22 2HB GLU 22 -6.500 4.820 -5.488 179 HB3 GLU 22 1HB GLU 22 -5.371 3.600 -6.035 180 HG2 GLU 22 2HG GLU 22 -7.081 1.891 -5.870 181 HG3 GLU 22 1HG GLU 22 -8.208 3.049 -5.169 182 H GLN 23 H GLN 23 -6.819 5.551 -2.725 183 HA GLN 23 HA GLN 23 -8.644 3.891 -1.275 184 HB2 GLN 23 2HB GLN 23 -9.787 5.959 -0.512 185 HB3 GLN 23 1HB GLN 23 -8.118 5.843 -0.051 186 HG2 GLN 23 2HG GLN 23 -9.027 7.404 -2.429 187 HG3 GLN 23 1HG GLN 23 -9.010 7.983 -0.752 188 HE21 GLN 23 1HE2 GLN 23 -7.061 8.406 0.231 189 HE22 GLN 23 2HE2 GLN 23 -5.550 8.458 -0.611 190 H ASP 24 H ASP 24 -10.592 3.771 -1.231 191 HA ASP 24 HA ASP 24 -11.654 2.643 -3.538 192 HB2 ASP 24 2HB ASP 24 -12.528 2.236 -1.260 193 HB3 ASP 24 1HB ASP 24 -13.322 3.800 -1.319 194 H ASN 25 H ASN 25 -12.229 5.934 -2.393 195 HA ASN 25 HA ASN 25 -14.175 6.675 -4.232 196 HB2 ASN 25 2HB ASN 25 -12.152 8.344 -2.755 197 HB3 ASN 25 1HB ASN 25 -13.582 8.968 -3.557 198 HD21 ASN 25 1HD2 ASN 25 -14.316 9.763 -1.709 199 HD22 ASN 25 2HD2 ASN 25 -15.019 8.848 -0.413 200 H GLY 26 H GLY 26 -10.896 6.024 -4.845 201 HA2 GLY 26 2HA GLY 26 -9.948 6.074 -6.998 202 HA3 GLY 26 1HA GLY 26 -11.134 7.285 -7.473 203 H GLY 27 H GLY 27 -8.772 7.056 -4.863 204 HA2 GLY 27 2HA GLY 27 -8.194 9.874 -5.107 205 HA3 GLY 27 1HA GLY 27 -7.517 8.766 -3.928 206 H LYS 28 H LYS 28 -5.560 7.822 -4.315 207 HA LYS 28 HA LYS 28 -4.209 8.668 -6.789 208 HB2 LYS 28 2HB LYS 28 -2.980 8.362 -4.084 209 HB3 LYS 28 1HB LYS 28 -2.167 8.856 -5.546 210 HG2 LYS 28 2HG LYS 28 -3.553 10.869 -5.683 211 HG3 LYS 28 1HG LYS 28 -4.350 10.412 -4.176 212 HD2 LYS 28 2HD LYS 28 -2.194 10.499 -3.027 213 HD3 LYS 28 1HD LYS 28 -1.437 10.953 -4.560 214 HE2 LYS 28 2HE LYS 28 -2.792 12.989 -4.637 215 HE3 LYS 28 1HE LYS 28 -3.566 12.532 -3.123 216 HZ1 LYS 28 3HZ LYS 28 -1.828 14.155 -2.785 217 HZ2 LYS 28 1HZ LYS 28 -0.682 13.138 -3.477 218 HZ3 LYS 28 2HZ LYS 28 -1.395 12.703 -2.029 219 H ASP 29 H ASP 29 -2.894 7.225 -7.715 220 HA ASP 29 HA ASP 29 -3.170 4.447 -6.833 221 HB2 ASP 29 2HB ASP 29 -2.151 5.564 -9.463 222 HB3 ASP 29 1HB ASP 29 -2.191 3.858 -9.065 223 H VAL 30 H VAL 30 -1.729 4.162 -5.275 224 HA VAL 30 HA VAL 30 1.071 4.676 -5.948 225 HB VAL 30 HB VAL 30 0.552 6.126 -4.089 226 HG11 VAL 30 1HG1 VAL 30 -1.556 5.068 -3.412 227 HG12 VAL 30 2HG1 VAL 30 -0.484 5.414 -2.059 228 HG13 VAL 30 3HG1 VAL 30 -0.635 3.753 -2.658 229 HG21 VAL 30 3HG2 VAL 30 1.852 3.637 -3.020 230 HG22 VAL 30 1HG2 VAL 30 1.845 5.199 -2.219 231 HG23 VAL 30 2HG2 VAL 30 2.658 5.018 -3.773 232 H PHE 31 H PHE 31 2.564 2.992 -5.623 233 HA PHE 31 HA PHE 31 1.224 0.442 -5.508 234 HB2 PHE 31 2HB PHE 31 3.253 -0.579 -6.363 235 HB3 PHE 31 1HB PHE 31 2.772 0.790 -7.364 236 HD1 PHE 31 2HD PHE 31 4.207 2.757 -7.479 237 HD2 PHE 31 1HD PHE 31 5.273 -0.608 -5.106 238 HE1 PHE 31 2HE PHE 31 6.519 3.580 -7.342 239 HE2 PHE 31 1HE PHE 31 7.578 0.206 -4.970 240 HZ PHE 31 HZ PHE 31 8.209 2.309 -6.091 241 H VAL 32 H VAL 32 1.737 -1.208 -4.145 242 HA VAL 32 HA VAL 32 2.951 -0.279 -1.674 243 HB VAL 32 HB VAL 32 0.725 -1.274 -1.410 244 HG11 VAL 32 1HG1 VAL 32 1.907 -3.789 -2.544 245 HG12 VAL 32 2HG1 VAL 32 0.670 -2.782 -3.294 246 HG13 VAL 32 3HG1 VAL 32 0.311 -3.655 -1.802 247 HG21 VAL 32 3HG2 VAL 32 1.246 -2.993 0.288 248 HG22 VAL 32 1HG2 VAL 32 2.208 -1.535 0.475 249 HG23 VAL 32 2HG2 VAL 32 2.923 -2.979 -0.244 250 H HIS 33 H HIS 33 4.792 -0.998 -0.982 251 HA HIS 33 HA HIS 33 6.190 -3.118 -2.506 252 HB2 HIS 33 2HB HIS 33 7.213 -0.817 -2.539 253 HB3 HIS 33 1HB HIS 33 7.315 -0.902 -0.779 254 HD1 HIS 33 1HD HIS 33 8.399 -3.187 -3.617 255 HD2 HIS 33 2HD HIS 33 9.717 -1.670 -0.031 256 HE1 HIS 33 1HE HIS 33 10.569 -4.240 -3.240 257 HE2 HIS 33 2HE HIS 33 11.354 -3.402 -1.029 258 H LYS 34 H LYS 34 7.274 -4.738 -1.259 259 HA LYS 34 HA LYS 34 5.591 -5.488 0.907 260 HB2 LYS 34 2HB LYS 34 6.514 -7.080 -0.720 261 HB3 LYS 34 1HB LYS 34 8.097 -6.936 0.016 262 HG2 LYS 34 2HG LYS 34 7.229 -7.738 2.108 263 HG3 LYS 34 1HG LYS 34 5.601 -7.785 1.432 264 HD2 LYS 34 2HD LYS 34 6.337 -9.938 1.297 265 HD3 LYS 34 1HD LYS 34 6.491 -9.249 -0.294 266 HE2 LYS 34 2HE LYS 34 8.494 -10.582 0.196 267 HE3 LYS 34 1HE LYS 34 8.868 -8.884 -0.048 268 HZ1 LYS 34 3HZ LYS 34 8.980 -8.632 2.386 269 HZ2 LYS 34 1HZ LYS 34 10.063 -9.778 1.815 270 HZ3 LYS 34 2HZ LYS 34 8.652 -10.265 2.576 271 H SER 35 H SER 35 8.542 -3.808 0.810 272 HA SER 35 HA SER 35 9.473 -4.104 3.413 273 HB2 SER 35 2HB SER 35 10.582 -2.638 1.719 274 HB3 SER 35 1HB SER 35 9.241 -1.500 1.881 275 HG SER 35 HG SER 35 10.354 -2.165 4.255 276 H ALA 36 H ALA 36 6.478 -2.695 2.338 277 HA ALA 36 HA ALA 36 5.916 -1.191 4.669 278 HB1 ALA 36 1HB ALA 36 3.985 -2.433 2.804 279 HB2 ALA 36 2HB ALA 36 4.830 -0.913 2.448 280 HB3 ALA 36 3HB ALA 36 3.744 -1.032 3.857 281 H VAL 37 H VAL 37 5.126 -4.484 3.596 282 HA VAL 37 HA VAL 37 3.572 -5.093 5.890 283 HB VAL 37 HB VAL 37 5.063 -7.052 4.069 284 HG11 VAL 37 1HG1 VAL 37 2.851 -7.543 6.083 285 HG12 VAL 37 2HG1 VAL 37 4.527 -7.992 6.307 286 HG13 VAL 37 3HG1 VAL 37 3.571 -8.763 5.040 287 HG21 VAL 37 3HG2 VAL 37 3.376 -5.718 2.871 288 HG22 VAL 37 1HG2 VAL 37 2.166 -6.170 4.074 289 HG23 VAL 37 2HG2 VAL 37 2.869 -7.401 3.024 290 H ASP 38 H ASP 38 6.922 -5.472 4.959 291 HA ASP 38 HA ASP 38 7.761 -6.836 7.279 292 HB2 ASP 38 2HB ASP 38 9.063 -6.809 5.197 293 HB3 ASP 38 1HB ASP 38 9.344 -5.084 5.386 294 H ALA 39 H ALA 39 7.080 -3.481 6.665 295 HA ALA 39 HA ALA 39 8.602 -2.482 8.876 296 HB1 ALA 39 1HB ALA 39 8.138 -1.111 6.898 297 HB2 ALA 39 2HB ALA 39 7.600 -0.338 8.389 298 HB3 ALA 39 3HB ALA 39 6.424 -1.101 7.320 299 H ALA 40 H ALA 40 5.428 -3.796 8.595 300 HA ALA 40 HA ALA 40 4.886 -2.922 11.375 301 HB1 ALA 40 1HB ALA 40 2.547 -2.553 10.872 302 HB2 ALA 40 2HB ALA 40 2.811 -3.020 9.192 303 HB3 ALA 40 3HB ALA 40 3.562 -1.558 9.830 304 H GLY 41 H GLY 41 4.737 -5.439 9.052 305 HA2 GLY 41 2HA GLY 41 4.487 -7.629 9.261 306 HA3 GLY 41 1HA GLY 41 4.224 -7.508 10.972 307 H LEU 42 H LEU 42 2.694 -6.678 7.918 308 HA LEU 42 HA LEU 42 0.034 -6.939 8.969 309 HB2 LEU 42 2HB LEU 42 1.115 -5.496 6.995 310 HB3 LEU 42 1HB LEU 42 0.768 -6.931 6.068 311 HG LEU 42 HG LEU 42 -0.912 -5.317 5.729 312 HD11 LEU 42 1HD1 LEU 42 -2.012 -7.507 7.473 313 HD12 LEU 42 2HD1 LEU 42 -1.722 -7.597 5.738 314 HD13 LEU 42 3HD1 LEU 42 -2.961 -6.510 6.371 315 HD21 LEU 42 3HD2 LEU 42 -2.339 -4.439 7.508 316 HD22 LEU 42 1HD2 LEU 42 -0.636 -4.022 7.699 317 HD23 LEU 42 2HD2 LEU 42 -1.348 -5.297 8.694 318 H HIS 43 H HIS 43 -1.249 -8.808 8.606 319 HA HIS 43 HA HIS 43 0.021 -11.289 8.385 320 HB2 HIS 43 2HB HIS 43 -2.163 -11.048 9.459 321 HB3 HIS 43 1HB HIS 43 -2.885 -10.623 7.918 322 HD1 HIS 43 1HD HIS 43 -3.718 -12.523 6.480 323 HD2 HIS 43 2HD HIS 43 -1.289 -13.839 9.582 324 HE1 HIS 43 1HE HIS 43 -3.874 -15.024 6.454 325 HE2 HIS 43 2HE HIS 43 -2.542 -15.781 8.435 326 H SER 44 H SER 44 -2.101 -9.754 5.920 327 HA SER 44 HA SER 44 -0.464 -10.688 3.798 328 HB2 SER 44 2HB SER 44 -2.292 -12.064 2.789 329 HB3 SER 44 1HB SER 44 -1.612 -12.768 4.253 330 HG SER 44 HG SER 44 -4.157 -11.653 3.811 331 H LEU 45 H LEU 45 -1.353 -9.872 1.736 332 HA LEU 45 HA LEU 45 -3.450 -7.871 2.129 333 HB2 LEU 45 2HB LEU 45 -1.237 -7.708 0.122 334 HB3 LEU 45 1HB LEU 45 -2.462 -6.544 0.421 335 HG LEU 45 HG LEU 45 -0.311 -7.180 2.437 336 HD11 LEU 45 1HD1 LEU 45 -0.625 -4.845 0.554 337 HD12 LEU 45 2HD1 LEU 45 0.583 -6.120 0.428 338 HD13 LEU 45 3HD1 LEU 45 0.613 -5.011 1.799 339 HD21 LEU 45 3HD2 LEU 45 -2.416 -5.009 2.333 340 HD22 LEU 45 1HD2 LEU 45 -1.138 -5.150 3.540 341 HD23 LEU 45 2HD2 LEU 45 -2.394 -6.382 3.446 342 H GLU 46 H GLU 46 -4.988 -8.030 0.791 343 HA GLU 46 HA GLU 46 -4.738 -9.390 -1.692 344 HB2 GLU 46 2HB GLU 46 -6.783 -10.819 -1.255 345 HB3 GLU 46 1HB GLU 46 -5.347 -11.305 -0.391 346 HG2 GLU 46 2HG GLU 46 -7.599 -9.709 0.832 347 HG3 GLU 46 1HG GLU 46 -7.472 -11.462 0.910 348 H GLU 47 H GLU 47 -6.476 -8.917 -3.110 349 HA GLU 47 HA GLU 47 -7.109 -6.209 -2.810 350 HB2 GLU 47 2HB GLU 47 -8.372 -6.378 -4.929 351 HB3 GLU 47 1HB GLU 47 -6.723 -6.943 -5.029 352 HG2 GLU 47 2HG GLU 47 -9.132 -8.717 -4.781 353 HG3 GLU 47 1HG GLU 47 -8.365 -8.237 -6.292 354 H GLY 48 H GLY 48 -9.023 -5.170 -2.895 355 HA2 GLY 48 2HA GLY 48 -11.347 -4.931 -2.407 356 HA3 GLY 48 1HA GLY 48 -11.354 -6.572 -1.783 357 H GLN 49 H GLN 49 -8.827 -5.859 -0.212 358 HA GLN 49 HA GLN 49 -10.185 -5.171 2.175 359 HB2 GLN 49 2HB GLN 49 -7.348 -5.740 1.474 360 HB3 GLN 49 1HB GLN 49 -7.763 -5.168 3.070 361 HG2 GLN 49 2HG GLN 49 -9.104 -7.493 1.858 362 HG3 GLN 49 1HG GLN 49 -7.524 -7.732 2.636 363 HE21 GLN 49 1HE2 GLN 49 -10.213 -5.597 3.723 364 HE22 GLN 49 2HE2 GLN 49 -10.524 -6.488 5.142 365 H ASP 50 H ASP 50 -10.242 -3.300 3.258 366 HA ASP 50 HA ASP 50 -9.071 -0.962 2.011 367 HB2 ASP 50 2HB ASP 50 -10.822 -1.229 4.475 368 HB3 ASP 50 1HB ASP 50 -10.177 0.294 3.891 369 H VAL 51 H VAL 51 -7.409 0.166 2.852 370 HA VAL 51 HA VAL 51 -6.115 -0.922 5.193 371 HB VAL 51 HB VAL 51 -5.357 -2.221 3.319 372 HG11 VAL 51 1HG1 VAL 51 -5.592 -0.657 1.475 373 HG12 VAL 51 2HG1 VAL 51 -3.951 -1.238 1.499 374 HG13 VAL 51 3HG1 VAL 51 -4.316 0.355 2.154 375 HG21 VAL 51 3HG2 VAL 51 -3.221 -0.424 4.423 376 HG22 VAL 51 1HG2 VAL 51 -2.916 -1.990 3.642 377 HG23 VAL 51 2HG2 VAL 51 -3.874 -1.891 5.140 378 H ILE 52 H ILE 52 -4.564 0.420 6.055 379 HA ILE 52 HA ILE 52 -4.687 3.227 5.199 380 HB ILE 52 HB ILE 52 -4.292 2.075 7.987 381 HG12 ILE 52 2HG1 ILE 52 -6.652 3.584 6.838 382 HG13 ILE 52 1HG1 ILE 52 -6.593 1.843 7.082 383 HG21 ILE 52 1HG2 ILE 52 -4.463 4.426 8.747 384 HG22 ILE 52 2HG2 ILE 52 -4.533 4.953 7.072 385 HG23 ILE 52 3HG2 ILE 52 -3.076 4.193 7.687 386 HD11 ILE 52 3HD1 ILE 52 -6.377 2.192 9.476 387 HD12 ILE 52 1HD1 ILE 52 -7.836 2.943 8.833 388 HD13 ILE 52 2HD1 ILE 52 -6.430 3.940 9.230 389 H PHE 53 H PHE 53 -2.688 4.173 4.855 390 HA PHE 53 HA PHE 53 -0.300 2.784 5.767 391 HB2 PHE 53 2HB PHE 53 0.702 2.973 3.525 392 HB3 PHE 53 1HB PHE 53 -0.565 1.788 3.531 393 HD1 PHE 53 1HD PHE 53 -2.844 2.525 2.560 394 HD2 PHE 53 2HD PHE 53 0.741 4.762 2.065 395 HE1 PHE 53 1HE PHE 53 -3.819 3.658 0.631 396 HE2 PHE 53 2HE PHE 53 -0.236 5.900 0.133 397 HZ PHE 53 HZ PHE 53 -2.511 5.351 -0.592 398 H ASP 54 H ASP 54 1.630 4.171 4.813 399 HA ASP 54 HA ASP 54 0.861 6.974 4.954 400 HB2 ASP 54 2HB ASP 54 3.331 5.655 6.122 401 HB3 ASP 54 1HB ASP 54 3.150 7.392 5.924 402 H LEU 55 H LEU 55 1.958 8.262 3.537 403 HA LEU 55 HA LEU 55 3.397 6.712 1.556 404 HB2 LEU 55 2HB LEU 55 1.268 7.377 0.675 405 HB3 LEU 55 1HB LEU 55 1.604 9.013 1.223 406 HG LEU 55 HG LEU 55 3.211 9.371 -0.533 407 HD11 LEU 55 1HD1 LEU 55 4.258 7.156 -0.452 408 HD12 LEU 55 2HD1 LEU 55 3.845 7.625 -2.096 409 HD13 LEU 55 3HD1 LEU 55 2.833 6.466 -1.228 410 HD21 LEU 55 3HD2 LEU 55 1.864 9.044 -2.525 411 HD22 LEU 55 1HD2 LEU 55 0.838 9.565 -1.179 412 HD23 LEU 55 2HD2 LEU 55 0.863 7.868 -1.676 413 H GLU 56 H GLU 56 5.245 7.074 1.721 414 HA GLU 56 HA GLU 56 6.288 9.795 1.957 415 HB2 GLU 56 2HB GLU 56 6.716 8.324 3.982 416 HB3 GLU 56 1HB GLU 56 7.648 7.270 2.935 417 HG2 GLU 56 2HG GLU 56 9.222 9.050 2.484 418 HG3 GLU 56 1HG GLU 56 8.265 10.166 3.457 419 H GLU 57 H GLU 57 7.832 10.257 0.408 420 HA GLU 57 HA GLU 57 7.585 8.428 -1.774 421 HB2 GLU 57 2HB GLU 57 8.554 11.252 -1.701 422 HB3 GLU 57 1HB GLU 57 8.498 10.267 -3.163 423 HG2 GLU 57 2HG GLU 57 6.097 9.961 -2.873 424 HG3 GLU 57 1HG GLU 57 6.148 10.940 -1.411 425 H LYS 58 H LYS 58 8.967 7.435 -2.821 426 HA LYS 58 HA LYS 58 11.593 6.884 -1.745 427 HB2 LYS 58 2HB LYS 58 10.098 5.101 -2.612 428 HB3 LYS 58 1HB LYS 58 10.051 5.882 -4.164 429 HG2 LYS 58 2HG LYS 58 11.485 3.957 -4.289 430 HG3 LYS 58 1HG LYS 58 12.492 5.398 -4.406 431 HD2 LYS 58 2HD LYS 58 13.154 5.164 -2.090 432 HD3 LYS 58 1HD LYS 58 12.038 3.809 -1.885 433 HE2 LYS 58 2HE LYS 58 13.294 2.520 -3.542 434 HE3 LYS 58 1HE LYS 58 14.405 3.871 -3.754 435 HZ1 LYS 58 3HZ LYS 58 15.297 2.165 -2.296 436 HZ2 LYS 58 1HZ LYS 58 14.020 2.359 -1.221 437 HZ3 LYS 58 2HZ LYS 58 15.113 3.616 -1.476 438 H GLN 59 H GLN 59 12.368 9.034 -2.073 439 HA GLN 59 HA GLN 59 13.414 10.733 -3.089 440 HB2 GLN 59 2HB GLN 59 14.769 9.059 -4.244 441 HB3 GLN 59 1HB GLN 59 13.526 8.861 -5.468 442 HG2 GLN 59 2HG GLN 59 13.902 11.170 -6.196 443 HG3 GLN 59 1HG GLN 59 15.177 11.331 -4.986 444 HE21 GLN 59 1HE2 GLN 59 14.224 9.803 -7.956 445 HE22 GLN 59 2HE2 GLN 59 15.805 9.306 -8.418 446 H GLY 60 H GLY 60 11.755 9.552 -5.974 447 HA2 GLY 60 2HA GLY 60 9.857 11.771 -5.736 448 HA3 GLY 60 1HA GLY 60 10.730 11.499 -7.243 449 H LYS 61 H LYS 61 10.184 8.584 -5.725 450 HA LYS 61 HA LYS 61 7.909 8.002 -7.489 451 HB2 LYS 61 2HB LYS 61 10.221 6.697 -7.364 452 HB3 LYS 61 1HB LYS 61 9.508 5.988 -5.936 453 HG2 LYS 61 2HG LYS 61 8.995 4.418 -7.519 454 HG3 LYS 61 1HG LYS 61 7.541 5.417 -7.539 455 HD2 LYS 61 2HD LYS 61 9.863 5.768 -9.424 456 HD3 LYS 61 1HD LYS 61 8.454 4.800 -9.832 457 HE2 LYS 61 2HE LYS 61 8.530 7.783 -9.287 458 HE3 LYS 61 1HE LYS 61 8.397 7.001 -10.846 459 HZ1 LYS 61 3HZ LYS 61 6.266 6.093 -10.232 460 HZ2 LYS 61 1HZ LYS 61 6.253 7.760 -10.050 461 HZ3 LYS 61 2HZ LYS 61 6.342 6.783 -8.701 462 H ALA 62 H ALA 62 6.160 6.714 -6.456 463 HA ALA 62 HA ALA 62 5.906 7.365 -3.594 464 HB1 ALA 62 1HB ALA 62 4.397 8.737 -4.955 465 HB2 ALA 62 2HB ALA 62 3.468 7.578 -4.002 466 HB3 ALA 62 3HB ALA 62 3.759 7.270 -5.700 467 H TYR 63 H TYR 63 5.769 5.632 -2.299 468 HA TYR 63 HA TYR 63 4.364 3.289 -3.285 469 HB2 TYR 63 2HB TYR 63 6.003 1.772 -2.351 470 HB3 TYR 63 1HB TYR 63 6.724 2.779 -3.581 471 HD1 TYR 63 2HD TYR 63 7.535 5.198 -2.041 472 HD2 TYR 63 1HD TYR 63 7.629 1.106 -0.904 473 HE1 TYR 63 2HE TYR 63 9.334 5.686 -0.439 474 HE2 TYR 63 1HE TYR 63 9.427 1.585 0.696 475 HH TYR 63 HH TYR 63 10.257 4.705 1.646 476 H ALA 64 H ALA 64 3.329 2.204 -1.794 477 HA ALA 64 HA ALA 64 2.516 3.659 0.647 478 HB1 ALA 64 1HB ALA 64 0.780 1.976 0.814 479 HB2 ALA 64 2HB ALA 64 1.516 1.039 -0.490 480 HB3 ALA 64 3HB ALA 64 0.812 2.624 -0.817 481 H VAL 65 H VAL 65 3.156 3.350 2.513 482 HA VAL 65 HA VAL 65 4.476 0.834 3.231 483 HB VAL 65 HB VAL 65 6.203 2.013 4.544 484 HG11 VAL 65 1HG1 VAL 65 6.767 1.223 2.342 485 HG12 VAL 65 2HG1 VAL 65 7.610 2.735 2.681 486 HG13 VAL 65 3HG1 VAL 65 6.193 2.727 1.629 487 HG21 VAL 65 3HG2 VAL 65 5.171 4.510 3.193 488 HG22 VAL 65 1HG2 VAL 65 6.647 4.405 4.156 489 HG23 VAL 65 2HG2 VAL 65 5.075 4.139 4.912 490 H ASN 66 H ASN 66 4.848 0.684 5.600 491 HA ASN 66 HA ASN 66 4.023 0.511 7.719 492 HB2 ASN 66 2HB ASN 66 4.556 3.072 7.536 493 HB3 ASN 66 1HB ASN 66 2.854 3.239 7.312 494 HD21 ASN 66 1HD2 ASN 66 2.671 4.452 9.190 495 HD22 ASN 66 2HD2 ASN 66 2.659 3.696 10.749 496 H LEU 67 H LEU 67 2.491 -1.024 6.514 497 HA LEU 67 HA LEU 67 -0.129 0.040 6.018 498 HB2 LEU 67 2HB LEU 67 0.793 -2.790 5.812 499 HB3 LEU 67 1HB LEU 67 -0.750 -2.172 5.287 500 HG LEU 67 HG LEU 67 1.953 -1.699 4.048 501 HD11 LEU 67 1HD1 LEU 67 0.818 -3.706 3.540 502 HD12 LEU 67 2HD1 LEU 67 0.858 -2.583 2.152 503 HD13 LEU 67 3HD1 LEU 67 -0.616 -2.725 3.133 504 HD21 LEU 67 3HD2 LEU 67 -0.639 -0.329 3.386 505 HD22 LEU 67 1HD2 LEU 67 0.860 -0.244 2.452 506 HD23 LEU 67 2HD2 LEU 67 0.805 0.435 4.076 507 H ARG 68 H ARG 68 -1.950 -0.255 7.032 508 HA ARG 68 HA ARG 68 -2.225 -2.109 9.239 509 HB2 ARG 68 2HB ARG 68 -2.883 0.761 9.021 510 HB3 ARG 68 1HB ARG 68 -3.751 -0.257 10.125 511 HG2 ARG 68 2HG ARG 68 -2.113 0.587 11.567 512 HG3 ARG 68 1HG ARG 68 -1.108 -0.662 10.828 513 HD2 ARG 68 2HD ARG 68 0.153 1.305 10.647 514 HD3 ARG 68 1HD ARG 68 -0.557 1.070 9.053 515 HE ARG 68 HE ARG 68 -2.223 2.676 10.692 516 HH11 ARG 68 1HH1 ARG 68 0.445 2.794 8.413 517 HH12 ARG 68 2HH1 ARG 68 0.599 4.478 8.404 518 HH21 ARG 68 1HH2 ARG 68 -2.084 5.056 10.660 519 HH22 ARG 68 2HH2 ARG 68 -0.884 5.786 9.704 520 H ILE 69 H ILE 69 -4.322 -3.090 9.021 521 HA ILE 69 HA ILE 69 -5.695 -2.071 6.730 522 HB ILE 69 HB ILE 69 -7.375 -3.905 7.016 523 HG12 ILE 69 2HG1 ILE 69 -6.590 -5.903 8.428 524 HG13 ILE 69 1HG1 ILE 69 -5.518 -4.767 9.226 525 HG21 ILE 69 1HG2 ILE 69 -5.940 -5.676 6.207 526 HG22 ILE 69 2HG2 ILE 69 -4.523 -4.743 6.698 527 HG23 ILE 69 3HG2 ILE 69 -5.604 -4.121 5.447 528 HD11 ILE 69 3HD1 ILE 69 -8.506 -4.606 9.149 529 HD12 ILE 69 1HD1 ILE 69 -7.434 -3.489 9.990 530 HD13 ILE 69 2HD1 ILE 69 -7.545 -5.172 10.517 531 H LYS 70 H LYS 70 -7.779 -1.347 6.614 532 HA LYS 70 HA LYS 70 -8.469 0.635 8.403 533 HB2 LYS 70 2HB LYS 70 -9.324 0.375 6.024 534 HB3 LYS 70 1HB LYS 70 -10.332 -0.904 6.623 535 HG2 LYS 70 2HG LYS 70 -11.466 0.588 8.123 536 HG3 LYS 70 1HG LYS 70 -10.493 1.933 7.511 537 HD2 LYS 70 2HD LYS 70 -11.410 1.607 5.277 538 HD3 LYS 70 1HD LYS 70 -12.319 0.206 5.837 539 HE2 LYS 70 2HE LYS 70 -13.559 1.661 7.378 540 HE3 LYS 70 1HE LYS 70 -12.674 3.051 6.738 541 HZ1 LYS 70 3HZ LYS 70 -14.841 2.846 5.714 542 HZ2 LYS 70 1HZ LYS 70 -14.497 1.290 5.198 543 HZ3 LYS 70 2HZ LYS 70 -13.644 2.600 4.557 Start of MODEL 7 1 H1 MET 1 1HT MET 1 6.273 13.970 5.111 2 H2 MET 1 2HT MET 1 5.873 14.243 3.502 3 H3 MET 1 3HT MET 1 7.331 13.502 3.867 4 HA MET 1 HA MET 1 5.664 11.956 3.044 5 HB2 MET 1 2HB MET 1 6.211 11.605 6.010 6 HB3 MET 1 1HB MET 1 5.643 10.342 4.940 7 HG2 MET 1 2HG MET 1 7.741 10.506 3.666 8 HG3 MET 1 1HG MET 1 8.305 11.744 4.783 9 HE1 MET 1 2HE MET 1 8.601 9.712 8.150 10 HE2 MET 1 3HE MET 1 7.195 10.624 7.602 11 HE3 MET 1 1HE MET 1 8.814 11.282 7.377 12 H ALA 2 H ALA 2 3.715 10.668 3.905 13 HA ALA 2 HA ALA 2 1.850 12.476 5.262 14 HB1 ALA 2 1HB ALA 2 0.057 11.542 3.785 15 HB2 ALA 2 2HB ALA 2 1.322 10.701 2.881 16 HB3 ALA 2 3HB ALA 2 1.283 12.457 2.896 17 H THR 3 H THR 3 0.677 11.490 6.872 18 HA THR 3 HA THR 3 1.260 8.647 7.297 19 HB THR 3 HB THR 3 1.030 9.202 9.741 20 HG1 THR 3 1HG THR 3 -0.061 11.241 9.278 21 HG21 THR 3 3HG2 THR 3 3.229 10.639 8.242 22 HG22 THR 3 1HG2 THR 3 3.235 8.935 8.692 23 HG23 THR 3 2HG2 THR 3 3.278 10.181 9.943 24 H ASN 4 H ASN 4 -0.332 7.331 7.888 25 HA ASN 4 HA ASN 4 -2.402 6.469 8.005 26 HB2 ASN 4 2HB ASN 4 -3.025 9.031 9.488 27 HB3 ASN 4 1HB ASN 4 -4.223 7.768 9.246 28 HD21 ASN 4 1HD2 ASN 4 -0.822 7.104 9.850 29 HD22 ASN 4 2HD2 ASN 4 -1.047 6.463 11.422 30 H ILE 5 H ILE 5 -2.408 6.504 5.832 31 HA ILE 5 HA ILE 5 -4.239 8.380 4.550 32 HB ILE 5 HB ILE 5 -2.292 6.381 3.440 33 HG12 ILE 5 2HG1 ILE 5 -2.169 9.366 3.772 34 HG13 ILE 5 1HG1 ILE 5 -1.172 8.114 4.507 35 HG21 ILE 5 1HG2 ILE 5 -4.161 6.673 1.941 36 HG22 ILE 5 2HG2 ILE 5 -2.708 7.414 1.261 37 HG23 ILE 5 3HG2 ILE 5 -3.970 8.429 1.984 38 HD11 ILE 5 3HD1 ILE 5 -0.226 7.524 2.470 39 HD12 ILE 5 1HD1 ILE 5 -0.048 9.280 2.689 40 HD13 ILE 5 2HD1 ILE 5 -1.282 8.627 1.588 41 H VAL 6 H VAL 6 -5.915 7.612 3.407 42 HA VAL 6 HA VAL 6 -6.886 4.979 4.108 43 HB VAL 6 HB VAL 6 -8.428 6.894 4.251 44 HG11 VAL 6 1HG1 VAL 6 -7.582 8.305 2.539 45 HG12 VAL 6 2HG1 VAL 6 -9.305 8.015 2.307 46 HG13 VAL 6 3HG1 VAL 6 -8.119 7.174 1.306 47 HG21 VAL 6 3HG2 VAL 6 -9.158 4.867 2.147 48 HG22 VAL 6 1HG2 VAL 6 -10.324 5.875 3.022 49 HG23 VAL 6 2HG2 VAL 6 -9.349 4.677 3.882 50 H GLY 7 H GLY 7 -6.964 3.381 2.714 51 HA2 GLY 7 2HA GLY 7 -7.393 3.918 0.051 52 HA3 GLY 7 1HA GLY 7 -5.799 3.273 0.188 53 H LYS 8 H LYS 8 -7.320 1.919 -1.263 54 HA LYS 8 HA LYS 8 -8.062 -0.405 0.324 55 HB2 LYS 8 2HB LYS 8 -10.044 0.547 -0.682 56 HB3 LYS 8 1HB LYS 8 -9.258 0.656 -2.246 57 HG2 LYS 8 2HG LYS 8 -9.152 -1.744 -2.397 58 HG3 LYS 8 1HG LYS 8 -9.884 -1.905 -0.800 59 HD2 LYS 8 2HD LYS 8 -11.183 -0.564 -3.167 60 HD3 LYS 8 1HD LYS 8 -11.506 -2.230 -2.677 61 HE2 LYS 8 2HE LYS 8 -12.260 -1.380 -0.474 62 HE3 LYS 8 1HE LYS 8 -12.004 0.260 -1.048 63 HZ1 LYS 8 3HZ LYS 8 -13.852 -1.667 -2.309 64 HZ2 LYS 8 1HZ LYS 8 -13.693 -0.028 -2.693 65 HZ3 LYS 8 2HZ LYS 8 -14.324 -0.497 -1.194 66 H VAL 9 H VAL 9 -7.122 -2.259 -0.272 67 HA VAL 9 HA VAL 9 -4.786 -2.169 -1.826 68 HB VAL 9 HB VAL 9 -6.390 -4.634 -1.008 69 HG11 VAL 9 1HG1 VAL 9 -4.790 -5.145 -2.790 70 HG12 VAL 9 2HG1 VAL 9 -4.247 -5.859 -1.266 71 HG13 VAL 9 3HG1 VAL 9 -3.495 -4.388 -1.866 72 HG21 VAL 9 3HG2 VAL 9 -4.070 -3.292 0.382 73 HG22 VAL 9 1HG2 VAL 9 -4.824 -4.808 0.875 74 HG23 VAL 9 2HG2 VAL 9 -5.745 -3.305 0.929 75 H LYS 10 H LYS 10 -4.744 -1.818 -3.803 76 HA LYS 10 HA LYS 10 -6.965 -2.117 -5.559 77 HB2 LYS 10 2HB LYS 10 -5.426 -0.228 -5.518 78 HB3 LYS 10 1HB LYS 10 -4.108 -1.290 -5.915 79 HG2 LYS 10 2HG LYS 10 -5.026 -1.638 -8.132 80 HG3 LYS 10 1HG LYS 10 -6.423 -0.639 -7.711 81 HD2 LYS 10 2HD LYS 10 -5.050 1.275 -7.326 82 HD3 LYS 10 1HD LYS 10 -3.589 0.317 -7.508 83 HE2 LYS 10 2HE LYS 10 -4.023 1.690 -9.398 84 HE3 LYS 10 1HE LYS 10 -4.043 -0.021 -9.802 85 HZ1 LYS 10 3HZ LYS 10 -6.485 1.620 -9.325 86 HZ2 LYS 10 1HZ LYS 10 -6.473 0.039 -9.900 87 HZ3 LYS 10 2HZ LYS 10 -5.877 1.295 -10.855 88 H TRP 11 H TRP 11 -3.732 -3.532 -5.246 89 HA TRP 11 HA TRP 11 -4.630 -6.101 -5.837 90 HB2 TRP 11 2HB TRP 11 -3.387 -6.609 -7.873 91 HB3 TRP 11 1HB TRP 11 -4.649 -5.456 -8.200 92 HD1 TRP 11 HD TRP 11 -3.759 -2.906 -8.782 93 HE1 TRP 11 1HE TRP 11 -1.540 -2.141 -9.840 94 HE3 TRP 11 3HE TRP 11 -1.032 -7.082 -7.974 95 HZ2 TRP 11 2HZ TRP 11 1.034 -3.188 -10.282 96 HZ3 TRP 11 3HZ TRP 11 1.342 -7.141 -8.755 97 HH2 TRP 11 HH TRP 11 2.328 -5.236 -9.879 98 H TYR 12 H TYR 12 -2.982 -7.652 -5.776 99 HA TYR 12 HA TYR 12 -0.388 -6.762 -4.890 100 HB2 TYR 12 2HB TYR 12 -1.573 -6.802 -2.762 101 HB3 TYR 12 1HB TYR 12 -2.219 -8.402 -3.108 102 HD1 TYR 12 2HD TYR 12 1.006 -6.594 -2.586 103 HD2 TYR 12 1HD TYR 12 -1.075 -10.298 -2.384 104 HE1 TYR 12 2HE TYR 12 2.955 -7.626 -1.501 105 HE2 TYR 12 1HE TYR 12 0.865 -11.338 -1.303 106 HH TYR 12 HH TYR 12 3.184 -11.032 -1.130 107 H ASN 13 H ASN 13 1.142 -8.096 -5.559 108 HA ASN 13 HA ASN 13 0.253 -10.631 -6.691 109 HB2 ASN 13 2HB ASN 13 1.420 -8.983 -8.190 110 HB3 ASN 13 1HB ASN 13 2.846 -9.175 -7.185 111 HD21 ASN 13 1HD2 ASN 13 0.721 -10.715 -9.436 112 HD22 ASN 13 2HD2 ASN 13 1.767 -12.038 -9.792 113 H SER 14 H SER 14 0.704 -12.339 -5.523 114 HA SER 14 HA SER 14 2.140 -12.174 -3.116 115 HB2 SER 14 2HB SER 14 0.181 -13.649 -3.491 116 HB3 SER 14 1HB SER 14 1.144 -14.619 -4.597 117 HG SER 14 HG SER 14 2.012 -14.134 -1.981 118 H THR 15 H THR 15 2.991 -13.318 -6.340 119 HA THR 15 HA THR 15 5.350 -14.656 -5.500 120 HB THR 15 HB THR 15 4.594 -13.679 -8.267 121 HG1 THR 15 1HG THR 15 3.317 -15.359 -8.335 122 HG21 THR 15 3HG2 THR 15 6.972 -14.307 -8.024 123 HG22 THR 15 1HG2 THR 15 6.098 -15.456 -9.038 124 HG23 THR 15 2HG2 THR 15 6.480 -15.868 -7.367 125 H LYS 16 H LYS 16 4.775 -11.511 -7.075 126 HA LYS 16 HA LYS 16 7.578 -10.819 -6.933 127 HB2 LYS 16 2HB LYS 16 5.171 -9.217 -7.782 128 HB3 LYS 16 1HB LYS 16 6.821 -8.632 -7.861 129 HG2 LYS 16 2HG LYS 16 7.370 -10.430 -9.438 130 HG3 LYS 16 1HG LYS 16 5.696 -10.989 -9.360 131 HD2 LYS 16 2HD LYS 16 4.913 -8.877 -10.259 132 HD3 LYS 16 1HD LYS 16 6.551 -8.232 -10.250 133 HE2 LYS 16 2HE LYS 16 5.913 -8.914 -12.496 134 HE3 LYS 16 1HE LYS 16 7.220 -9.924 -11.897 135 HZ1 LYS 16 3HZ LYS 16 4.344 -10.664 -11.991 136 HZ2 LYS 16 1HZ LYS 16 5.576 -11.657 -11.409 137 HZ3 LYS 16 2HZ LYS 16 5.545 -11.208 -13.029 138 H ASN 17 H ASN 17 5.053 -10.693 -4.768 139 HA ASN 17 HA ASN 17 4.807 -9.868 -2.652 140 HB2 ASN 17 2HB ASN 17 7.747 -9.160 -2.899 141 HB3 ASN 17 1HB ASN 17 6.817 -9.051 -1.448 142 HD21 ASN 17 1HD2 ASN 17 5.322 -11.573 -2.005 143 HD22 ASN 17 2HD2 ASN 17 6.469 -12.812 -1.722 144 H PHE 18 H PHE 18 4.437 -8.003 -5.077 145 HA PHE 18 HA PHE 18 4.108 -5.720 -3.348 146 HB2 PHE 18 2HB PHE 18 5.023 -4.069 -4.874 147 HB3 PHE 18 1HB PHE 18 6.264 -5.234 -4.470 148 HD1 PHE 18 1HD PHE 18 4.018 -3.985 -7.102 149 HD2 PHE 18 2HD PHE 18 7.268 -6.575 -6.209 150 HE1 PHE 18 1HE PHE 18 4.478 -4.217 -9.500 151 HE2 PHE 18 2HE PHE 18 7.729 -6.814 -8.615 152 HZ PHE 18 HZ PHE 18 6.335 -5.635 -10.261 153 H GLY 19 H GLY 19 2.918 -3.939 -4.627 154 HA2 GLY 19 2HA GLY 19 1.242 -4.657 -6.765 155 HA3 GLY 19 1HA GLY 19 0.397 -4.928 -5.241 156 H PHE 20 H PHE 20 -1.060 -3.282 -5.789 157 HA PHE 20 HA PHE 20 -0.001 -0.637 -5.198 158 HB2 PHE 20 2HB PHE 20 -1.721 -1.316 -7.547 159 HB3 PHE 20 1HB PHE 20 -1.851 0.243 -6.741 160 HD1 PHE 20 1HD PHE 20 0.622 -1.999 -8.411 161 HD2 PHE 20 2HD PHE 20 -0.445 1.974 -7.361 162 HE1 PHE 20 1HE PHE 20 2.471 -1.141 -9.790 163 HE2 PHE 20 2HE PHE 20 1.402 2.843 -8.728 164 HZ PHE 20 HZ PHE 20 2.862 1.283 -9.949 165 H ILE 21 H ILE 21 -1.642 0.916 -4.646 166 HA ILE 21 HA ILE 21 -4.038 -0.128 -3.398 167 HB ILE 21 HB ILE 21 -1.934 1.483 -1.859 168 HG12 ILE 21 2HG1 ILE 21 -2.819 -1.380 -1.466 169 HG13 ILE 21 1HG1 ILE 21 -1.271 -0.877 -2.106 170 HG21 ILE 21 1HG2 ILE 21 -4.185 2.095 -1.260 171 HG22 ILE 21 2HG2 ILE 21 -3.400 1.216 0.056 172 HG23 ILE 21 3HG2 ILE 21 -4.584 0.403 -0.968 173 HD11 ILE 21 3HD1 ILE 21 -2.259 -0.257 0.674 174 HD12 ILE 21 1HD1 ILE 21 -0.690 0.168 0.007 175 HD13 ILE 21 2HD1 ILE 21 -1.103 -1.529 0.250 176 H GLU 22 H GLU 22 -5.612 1.445 -3.532 177 HA GLU 22 HA GLU 22 -4.805 4.222 -3.818 178 HB2 GLU 22 2HB GLU 22 -6.282 4.648 -5.697 179 HB3 GLU 22 1HB GLU 22 -5.187 3.357 -6.162 180 HG2 GLU 22 2HG GLU 22 -6.932 1.707 -5.805 181 HG3 GLU 22 1HG GLU 22 -8.002 2.973 -5.197 182 H GLN 23 H GLN 23 -6.436 5.579 -2.905 183 HA GLN 23 HA GLN 23 -8.364 4.059 -1.438 184 HB2 GLN 23 2HB GLN 23 -9.384 6.218 -0.690 185 HB3 GLN 23 1HB GLN 23 -7.752 5.968 -0.182 186 HG2 GLN 23 2HG GLN 23 -8.473 7.625 -2.563 187 HG3 GLN 23 1HG GLN 23 -8.410 8.175 -0.875 188 HE21 GLN 23 1HE2 GLN 23 -6.427 8.298 0.164 189 HE22 GLN 23 2HE2 GLN 23 -4.927 8.270 -0.681 190 H ASP 24 H ASP 24 -10.405 4.190 -1.427 191 HA ASP 24 HA ASP 24 -11.396 3.086 -3.795 192 HB2 ASP 24 2HB ASP 24 -12.431 2.788 -1.562 193 HB3 ASP 24 1HB ASP 24 -13.121 4.396 -1.702 194 H ASN 25 H ASN 25 -11.615 6.383 -2.757 195 HA ASN 25 HA ASN 25 -13.395 7.301 -4.752 196 HB2 ASN 25 2HB ASN 25 -11.420 8.842 -3.074 197 HB3 ASN 25 1HB ASN 25 -12.707 9.556 -4.044 198 HD21 ASN 25 1HD2 ASN 25 -14.810 9.220 -3.422 199 HD22 ASN 25 2HD2 ASN 25 -15.262 8.762 -1.822 200 H GLY 26 H GLY 26 -10.309 6.178 -5.247 201 HA2 GLY 26 2HA GLY 26 -9.176 6.168 -7.276 202 HA3 GLY 26 1HA GLY 26 -10.236 7.455 -7.852 203 H GLY 27 H GLY 27 -8.023 7.105 -5.132 204 HA2 GLY 27 2HA GLY 27 -7.259 9.863 -5.318 205 HA3 GLY 27 1HA GLY 27 -6.610 8.681 -4.201 206 H LYS 28 H LYS 28 -4.607 7.984 -4.539 207 HA LYS 28 HA LYS 28 -3.217 9.031 -6.915 208 HB2 LYS 28 2HB LYS 28 -2.165 8.259 -4.209 209 HB3 LYS 28 1HB LYS 28 -1.161 8.794 -5.541 210 HG2 LYS 28 2HG LYS 28 -2.384 10.945 -5.537 211 HG3 LYS 28 1HG LYS 28 -3.286 10.388 -4.124 212 HD2 LYS 28 2HD LYS 28 -1.191 10.144 -2.892 213 HD3 LYS 28 1HD LYS 28 -0.307 10.681 -4.329 214 HE2 LYS 28 2HE LYS 28 -1.436 12.846 -4.227 215 HE3 LYS 28 1HE LYS 28 -2.350 12.314 -2.819 216 HZ1 LYS 28 3HZ LYS 28 -0.500 13.679 -2.176 217 HZ2 LYS 28 1HZ LYS 28 0.605 12.651 -2.940 218 HZ3 LYS 28 2HZ LYS 28 -0.276 12.126 -1.595 219 H ASP 29 H ASP 29 -1.185 7.717 -7.476 220 HA ASP 29 HA ASP 29 -1.853 4.866 -7.480 221 HB2 ASP 29 2HB ASP 29 0.140 6.376 -9.195 222 HB3 ASP 29 1HB ASP 29 -0.062 4.633 -9.213 223 H VAL 30 H VAL 30 -1.172 4.287 -5.511 224 HA VAL 30 HA VAL 30 1.663 4.680 -5.104 225 HB VAL 30 HB VAL 30 0.563 5.987 -3.402 226 HG11 VAL 30 1HG1 VAL 30 -1.649 4.895 -3.444 227 HG12 VAL 30 2HG1 VAL 30 -0.940 5.195 -1.847 228 HG13 VAL 30 3HG1 VAL 30 -0.912 3.553 -2.512 229 HG21 VAL 30 3HG2 VAL 30 1.513 3.400 -2.268 230 HG22 VAL 30 1HG2 VAL 30 1.250 4.881 -1.351 231 HG23 VAL 30 2HG2 VAL 30 2.467 4.841 -2.627 232 H PHE 31 H PHE 31 2.890 2.990 -4.989 233 HA PHE 31 HA PHE 31 1.524 0.453 -5.133 234 HB2 PHE 31 2HB PHE 31 3.603 -0.532 -5.952 235 HB3 PHE 31 1HB PHE 31 3.173 0.879 -6.896 236 HD1 PHE 31 2HD PHE 31 4.556 2.924 -6.723 237 HD2 PHE 31 1HD PHE 31 5.613 -0.659 -4.690 238 HE1 PHE 31 2HE PHE 31 6.851 3.770 -6.419 239 HE2 PHE 31 1HE PHE 31 7.902 0.176 -4.393 240 HZ PHE 31 HZ PHE 31 8.523 2.398 -5.263 241 H VAL 32 H VAL 32 2.094 -1.293 -3.874 242 HA VAL 32 HA VAL 32 3.205 -0.452 -1.307 243 HB VAL 32 HB VAL 32 0.860 -1.178 -1.134 244 HG11 VAL 32 1HG1 VAL 32 1.788 -3.858 -2.149 245 HG12 VAL 32 2HG1 VAL 32 0.722 -2.728 -2.993 246 HG13 VAL 32 3HG1 VAL 32 0.190 -3.502 -1.499 247 HG21 VAL 32 3HG2 VAL 32 1.125 -2.920 0.596 248 HG22 VAL 32 1HG2 VAL 32 2.214 -1.560 0.841 249 HG23 VAL 32 2HG2 VAL 32 2.813 -3.080 0.155 250 H HIS 33 H HIS 33 4.948 -1.416 -0.559 251 HA HIS 33 HA HIS 33 5.970 -3.728 -2.063 252 HB2 HIS 33 2HB HIS 33 7.358 -1.636 -2.257 253 HB3 HIS 33 1HB HIS 33 7.527 -1.662 -0.502 254 HD1 HIS 33 1HD HIS 33 8.138 -4.089 -3.336 255 HD2 HIS 33 2HD HIS 33 9.757 -2.901 0.258 256 HE1 HIS 33 1HE HIS 33 10.027 -5.629 -2.921 257 HE2 HIS 33 2HE HIS 33 11.174 -4.713 -0.894 258 H LYS 34 H LYS 34 6.804 -5.440 -0.887 259 HA LYS 34 HA LYS 34 5.226 -6.062 1.342 260 HB2 LYS 34 2HB LYS 34 6.149 -7.615 -0.321 261 HB3 LYS 34 1HB LYS 34 7.702 -7.523 0.504 262 HG2 LYS 34 2HG LYS 34 6.606 -8.262 2.566 263 HG3 LYS 34 1HG LYS 34 5.098 -8.425 1.671 264 HD2 LYS 34 2HD LYS 34 5.974 -10.491 1.756 265 HD3 LYS 34 1HD LYS 34 6.297 -9.935 0.140 266 HE2 LYS 34 2HE LYS 34 8.611 -9.343 0.718 267 HE3 LYS 34 1HE LYS 34 8.341 -9.897 2.368 268 HZ1 LYS 34 3HZ LYS 34 7.970 -12.146 1.460 269 HZ2 LYS 34 1HZ LYS 34 9.503 -11.546 1.116 270 HZ3 LYS 34 2HZ LYS 34 8.358 -11.571 -0.094 271 H SER 35 H SER 35 8.396 -4.618 1.202 272 HA SER 35 HA SER 35 9.302 -5.162 3.746 273 HB2 SER 35 2HB SER 35 9.534 -2.531 2.288 274 HB3 SER 35 1HB SER 35 10.536 -3.043 3.647 275 HG SER 35 HG SER 35 11.736 -3.782 2.132 276 H ALA 36 H ALA 36 6.579 -3.153 2.880 277 HA ALA 36 HA ALA 36 6.381 -1.813 5.381 278 HB1 ALA 36 1HB ALA 36 4.236 -2.445 3.404 279 HB2 ALA 36 2HB ALA 36 5.286 -1.013 3.374 280 HB3 ALA 36 3HB ALA 36 4.156 -1.276 4.730 281 H VAL 37 H VAL 37 5.052 -4.834 4.072 282 HA VAL 37 HA VAL 37 3.480 -5.433 6.372 283 HB VAL 37 HB VAL 37 4.650 -7.424 4.350 284 HG11 VAL 37 1HG1 VAL 37 2.395 -7.774 6.345 285 HG12 VAL 37 2HG1 VAL 37 3.980 -8.415 6.518 286 HG13 VAL 37 3HG1 VAL 37 2.957 -8.978 5.183 287 HG21 VAL 37 3HG2 VAL 37 3.195 -5.749 3.276 288 HG22 VAL 37 1HG2 VAL 37 1.925 -6.103 4.446 289 HG23 VAL 37 2HG2 VAL 37 2.431 -7.341 3.301 290 H ASP 38 H ASP 38 6.691 -6.037 5.272 291 HA ASP 38 HA ASP 38 7.547 -7.794 7.293 292 HB2 ASP 38 2HB ASP 38 8.741 -7.528 5.182 293 HB3 ASP 38 1HB ASP 38 9.087 -5.853 5.585 294 H ALA 39 H ALA 39 7.255 -4.298 7.158 295 HA ALA 39 HA ALA 39 8.743 -3.942 9.619 296 HB1 ALA 39 1HB ALA 39 8.876 -2.258 7.854 297 HB2 ALA 39 2HB ALA 39 8.276 -1.581 9.367 298 HB3 ALA 39 3HB ALA 39 7.154 -1.928 8.049 299 H ALA 40 H ALA 40 5.352 -3.646 8.609 300 HA ALA 40 HA ALA 40 4.610 -3.054 11.384 301 HB1 ALA 40 1HB ALA 40 2.453 -2.377 10.514 302 HB2 ALA 40 2HB ALA 40 2.898 -2.949 8.908 303 HB3 ALA 40 3HB ALA 40 3.753 -1.583 9.626 304 H GLY 41 H GLY 41 4.786 -5.735 9.417 305 HA2 GLY 41 2HA GLY 41 3.996 -7.829 9.489 306 HA3 GLY 41 1HA GLY 41 3.646 -7.619 11.176 307 H LEU 42 H LEU 42 2.441 -6.494 8.088 308 HA LEU 42 HA LEU 42 -0.241 -6.227 8.928 309 HB2 LEU 42 2HB LEU 42 1.092 -5.091 7.014 310 HB3 LEU 42 1HB LEU 42 0.766 -6.548 6.116 311 HG LEU 42 HG LEU 42 -0.686 -4.673 5.546 312 HD11 LEU 42 1HD1 LEU 42 -2.183 -6.956 6.814 313 HD12 LEU 42 2HD1 LEU 42 -1.518 -6.932 5.183 314 HD13 LEU 42 3HD1 LEU 42 -2.832 -5.841 5.612 315 HD21 LEU 42 3HD2 LEU 42 -2.395 -3.903 7.076 316 HD22 LEU 42 1HD2 LEU 42 -0.751 -3.659 7.687 317 HD23 LEU 42 2HD2 LEU 42 -1.733 -4.964 8.334 318 H HIS 43 H HIS 43 -1.929 -7.649 8.631 319 HA HIS 43 HA HIS 43 -1.578 -10.359 8.939 320 HB2 HIS 43 2HB HIS 43 -3.641 -9.145 9.492 321 HB3 HIS 43 1HB HIS 43 -3.973 -8.922 7.783 322 HD1 HIS 43 1HD HIS 43 -4.994 -10.950 6.508 323 HD2 HIS 43 2HD HIS 43 -4.182 -11.697 10.521 324 HE1 HIS 43 1HE HIS 43 -6.192 -13.050 7.048 325 HE2 HIS 43 2HE HIS 43 -6.055 -13.167 9.524 326 H SER 44 H SER 44 -2.782 -8.833 5.908 327 HA SER 44 HA SER 44 -1.231 -10.426 4.196 328 HB2 SER 44 2HB SER 44 -3.133 -11.757 3.238 329 HB3 SER 44 1HB SER 44 -2.717 -12.235 4.885 330 HG SER 44 HG SER 44 -4.935 -10.757 3.944 331 H LEU 45 H LEU 45 -1.883 -9.935 1.906 332 HA LEU 45 HA LEU 45 -3.643 -7.607 1.826 333 HB2 LEU 45 2HB LEU 45 -1.331 -8.031 0.020 334 HB3 LEU 45 1HB LEU 45 -2.382 -6.685 0.053 335 HG LEU 45 HG LEU 45 -0.507 -7.261 2.359 336 HD11 LEU 45 1HD1 LEU 45 -0.313 -5.201 0.161 337 HD12 LEU 45 2HD1 LEU 45 0.732 -6.607 0.356 338 HD13 LEU 45 3HD1 LEU 45 0.749 -5.322 1.562 339 HD21 LEU 45 3HD2 LEU 45 -2.266 -4.892 1.726 340 HD22 LEU 45 1HD2 LEU 45 -1.151 -5.019 3.087 341 HD23 LEU 45 2HD2 LEU 45 -2.555 -6.083 2.994 342 H GLU 46 H GLU 46 -5.175 -7.970 0.755 343 HA GLU 46 HA GLU 46 -5.061 -9.286 -1.778 344 HB2 GLU 46 2HB GLU 46 -7.305 -10.438 -1.352 345 HB3 GLU 46 1HB GLU 46 -5.898 -11.176 -0.626 346 HG2 GLU 46 2HG GLU 46 -7.651 -9.329 0.955 347 HG3 GLU 46 1HG GLU 46 -8.118 -11.006 0.702 348 H GLU 47 H GLU 47 -6.625 -8.596 -3.251 349 HA GLU 47 HA GLU 47 -7.099 -5.868 -2.793 350 HB2 GLU 47 2HB GLU 47 -8.112 -5.827 -5.055 351 HB3 GLU 47 1HB GLU 47 -6.483 -6.458 -5.005 352 HG2 GLU 47 2HG GLU 47 -8.894 -8.224 -5.046 353 HG3 GLU 47 1HG GLU 47 -8.160 -7.562 -6.507 354 H GLY 48 H GLY 48 -8.942 -4.759 -2.899 355 HA2 GLY 48 2HA GLY 48 -11.302 -4.483 -2.566 356 HA3 GLY 48 1HA GLY 48 -11.402 -6.185 -2.133 357 H GLN 49 H GLN 49 -8.901 -5.610 -0.389 358 HA GLN 49 HA GLN 49 -10.343 -5.014 2.022 359 HB2 GLN 49 2HB GLN 49 -7.529 -5.770 1.354 360 HB3 GLN 49 1HB GLN 49 -7.938 -5.229 2.967 361 HG2 GLN 49 2HG GLN 49 -9.486 -7.386 1.677 362 HG3 GLN 49 1HG GLN 49 -7.908 -7.791 2.393 363 HE21 GLN 49 1HE2 GLN 49 -10.222 -5.403 3.703 364 HE22 GLN 49 2HE2 GLN 49 -10.572 -6.322 5.096 365 H ASP 50 H ASP 50 -10.245 -3.164 3.193 366 HA ASP 50 HA ASP 50 -8.968 -0.905 1.900 367 HB2 ASP 50 2HB ASP 50 -10.729 -1.024 4.356 368 HB3 ASP 50 1HB ASP 50 -10.081 0.456 3.665 369 H VAL 51 H VAL 51 -7.282 0.198 2.780 370 HA VAL 51 HA VAL 51 -6.143 -0.905 5.194 371 HB VAL 51 HB VAL 51 -5.258 -2.193 3.339 372 HG11 VAL 51 1HG1 VAL 51 -5.344 -0.584 1.524 373 HG12 VAL 51 2HG1 VAL 51 -3.705 -1.203 1.687 374 HG13 VAL 51 3HG1 VAL 51 -4.110 0.392 2.307 375 HG21 VAL 51 3HG2 VAL 51 -3.186 -0.440 4.639 376 HG22 VAL 51 1HG2 VAL 51 -2.860 -2.007 3.879 377 HG23 VAL 51 2HG2 VAL 51 -3.915 -1.899 5.300 378 H ILE 52 H ILE 52 -4.708 0.386 6.153 379 HA ILE 52 HA ILE 52 -4.769 3.239 5.431 380 HB ILE 52 HB ILE 52 -4.347 1.917 8.138 381 HG12 ILE 52 2HG1 ILE 52 -6.785 3.397 7.126 382 HG13 ILE 52 1HG1 ILE 52 -6.654 1.647 7.248 383 HG21 ILE 52 1HG2 ILE 52 -4.612 4.187 9.054 384 HG22 ILE 52 2HG2 ILE 52 -4.723 4.828 7.413 385 HG23 ILE 52 3HG2 ILE 52 -3.226 4.078 7.967 386 HD11 ILE 52 3HD1 ILE 52 -6.343 1.858 9.648 387 HD12 ILE 52 1HD1 ILE 52 -7.890 2.532 9.121 388 HD13 ILE 52 2HD1 ILE 52 -6.538 3.605 9.529 389 H PHE 53 H PHE 53 -2.704 4.188 5.221 390 HA PHE 53 HA PHE 53 -0.384 2.727 6.179 391 HB2 PHE 53 2HB PHE 53 0.695 2.860 3.946 392 HB3 PHE 53 1HB PHE 53 -0.580 1.668 3.996 393 HD1 PHE 53 1HD PHE 53 -2.770 2.224 2.919 394 HD2 PHE 53 2HD PHE 53 0.648 4.722 2.485 395 HE1 PHE 53 1HE PHE 53 -3.783 3.267 0.972 396 HE2 PHE 53 2HE PHE 53 -0.362 5.764 0.521 397 HZ PHE 53 HZ PHE 53 -2.572 5.040 -0.252 398 H ASP 54 H ASP 54 1.634 4.003 5.363 399 HA ASP 54 HA ASP 54 1.015 6.851 5.444 400 HB2 ASP 54 2HB ASP 54 3.573 5.445 6.309 401 HB3 ASP 54 1HB ASP 54 3.305 7.177 6.322 402 H LEU 55 H LEU 55 2.619 8.028 4.104 403 HA LEU 55 HA LEU 55 3.464 6.303 1.915 404 HB2 LEU 55 2HB LEU 55 1.358 7.144 1.249 405 HB3 LEU 55 1HB LEU 55 1.838 8.758 1.735 406 HG LEU 55 HG LEU 55 3.150 9.051 -0.246 407 HD11 LEU 55 1HD1 LEU 55 4.145 6.793 -0.198 408 HD12 LEU 55 2HD1 LEU 55 3.572 7.255 -1.793 409 HD13 LEU 55 3HD1 LEU 55 2.625 6.144 -0.798 410 HD21 LEU 55 3HD2 LEU 55 1.531 8.706 -1.992 411 HD22 LEU 55 1HD2 LEU 55 0.697 9.214 -0.529 412 HD23 LEU 55 2HD2 LEU 55 0.660 7.515 -1.039 413 H GLU 56 H GLU 56 5.269 6.524 1.242 414 HA GLU 56 HA GLU 56 6.821 8.976 1.636 415 HB2 GLU 56 2HB GLU 56 7.782 6.112 1.421 416 HB3 GLU 56 1HB GLU 56 8.842 7.512 1.437 417 HG2 GLU 56 2HG GLU 56 8.006 8.103 3.647 418 HG3 GLU 56 1HG GLU 56 6.992 6.664 3.644 419 H GLU 57 H GLU 57 7.697 9.853 -0.109 420 HA GLU 57 HA GLU 57 6.694 8.826 -2.626 421 HB2 GLU 57 2HB GLU 57 6.150 11.124 -2.036 422 HB3 GLU 57 1HB GLU 57 7.855 11.513 -1.907 423 HG2 GLU 57 2HG GLU 57 8.153 11.155 -4.270 424 HG3 GLU 57 1HG GLU 57 6.473 10.637 -4.427 425 H LYS 58 H LYS 58 7.920 8.165 -4.210 426 HA LYS 58 HA LYS 58 10.814 7.931 -3.760 427 HB2 LYS 58 2HB LYS 58 9.411 5.850 -4.140 428 HB3 LYS 58 1HB LYS 58 9.024 6.487 -5.718 429 HG2 LYS 58 2HG LYS 58 10.712 4.805 -5.925 430 HG3 LYS 58 1HG LYS 58 11.410 6.383 -6.306 431 HD2 LYS 58 2HD LYS 58 12.415 6.516 -4.117 432 HD3 LYS 58 1HD LYS 58 11.616 5.020 -3.626 433 HE2 LYS 58 2HE LYS 58 12.859 3.807 -5.334 434 HE3 LYS 58 1HE LYS 58 13.668 5.293 -5.819 435 HZ1 LYS 58 3HZ LYS 58 15.026 3.967 -4.345 436 HZ2 LYS 58 1HZ LYS 58 13.832 3.997 -3.162 437 HZ3 LYS 58 2HZ LYS 58 14.632 5.421 -3.588 438 H GLN 59 H GLN 59 10.986 10.180 -4.372 439 HA GLN 59 HA GLN 59 11.441 11.904 -5.709 440 HB2 GLN 59 2HB GLN 59 12.794 10.289 -7.033 441 HB3 GLN 59 1HB GLN 59 11.380 9.922 -8.003 442 HG2 GLN 59 2HG GLN 59 12.888 11.431 -9.145 443 HG3 GLN 59 1HG GLN 59 11.335 12.213 -8.832 444 HE21 GLN 59 1HE2 GLN 59 12.243 14.266 -8.974 445 HE22 GLN 59 2HE2 GLN 59 13.258 14.915 -7.748 446 H GLY 60 H GLY 60 9.344 10.034 -7.851 447 HA2 GLY 60 2HA GLY 60 7.271 12.106 -7.518 448 HA3 GLY 60 1HA GLY 60 7.695 11.503 -9.115 449 H LYS 61 H LYS 61 8.161 8.812 -7.616 450 HA LYS 61 HA LYS 61 5.518 7.825 -8.128 451 HB2 LYS 61 2HB LYS 61 8.000 6.394 -7.222 452 HB3 LYS 61 1HB LYS 61 6.471 5.645 -7.676 453 HG2 LYS 61 2HG LYS 61 6.700 6.557 -9.914 454 HG3 LYS 61 1HG LYS 61 8.222 7.309 -9.424 455 HD2 LYS 61 2HD LYS 61 8.634 5.274 -10.623 456 HD3 LYS 61 1HD LYS 61 9.139 5.159 -8.919 457 HE2 LYS 61 2HE LYS 61 7.081 3.932 -8.413 458 HE3 LYS 61 1HE LYS 61 6.589 4.064 -10.099 459 HZ1 LYS 61 3HZ LYS 61 8.472 2.713 -10.730 460 HZ2 LYS 61 1HZ LYS 61 7.531 1.912 -9.600 461 HZ3 LYS 61 2HZ LYS 61 8.993 2.582 -9.126 462 H ALA 62 H ALA 62 4.572 6.290 -6.416 463 HA ALA 62 HA ALA 62 5.095 7.389 -3.737 464 HB1 ALA 62 1HB ALA 62 3.107 8.425 -4.655 465 HB2 ALA 62 2HB ALA 62 2.596 7.293 -3.393 466 HB3 ALA 62 3HB ALA 62 2.453 6.859 -5.081 467 H TYR 63 H TYR 63 5.453 5.796 -2.187 468 HA TYR 63 HA TYR 63 4.219 3.230 -2.725 469 HB2 TYR 63 2HB TYR 63 6.133 2.000 -1.789 470 HB3 TYR 63 1HB TYR 63 6.466 2.811 -3.299 471 HD1 TYR 63 2HD TYR 63 7.898 4.899 -3.213 472 HD2 TYR 63 1HD TYR 63 7.379 2.386 0.154 473 HE1 TYR 63 2HE TYR 63 9.930 5.871 -2.179 474 HE2 TYR 63 1HE TYR 63 9.399 3.336 1.191 475 HH TYR 63 HH TYR 63 10.908 6.143 0.000 476 H ALA 64 H ALA 64 3.208 2.312 -1.289 477 HA ALA 64 HA ALA 64 2.520 3.642 1.203 478 HB1 ALA 64 1HB ALA 64 0.943 1.819 1.473 479 HB2 ALA 64 2HB ALA 64 1.681 0.942 0.130 480 HB3 ALA 64 3HB ALA 64 0.839 2.466 -0.159 481 H VAL 65 H VAL 65 3.127 3.293 3.122 482 HA VAL 65 HA VAL 65 4.751 0.954 3.756 483 HB VAL 65 HB VAL 65 6.362 2.311 4.994 484 HG11 VAL 65 1HG1 VAL 65 6.931 1.874 2.701 485 HG12 VAL 65 2HG1 VAL 65 7.526 3.464 3.183 486 HG13 VAL 65 3HG1 VAL 65 6.080 3.326 2.183 487 HG21 VAL 65 3HG2 VAL 65 4.835 4.720 4.006 488 HG22 VAL 65 1HG2 VAL 65 6.393 4.769 4.841 489 HG23 VAL 65 2HG2 VAL 65 4.974 4.145 5.673 490 H ASN 66 H ASN 66 4.897 0.740 6.159 491 HA ASN 66 HA ASN 66 3.861 0.438 8.165 492 HB2 ASN 66 2HB ASN 66 4.520 2.980 8.172 493 HB3 ASN 66 1HB ASN 66 2.836 3.229 7.879 494 HD21 ASN 66 1HD2 ASN 66 2.625 4.314 9.827 495 HD22 ASN 66 2HD2 ASN 66 2.468 3.471 11.331 496 H LEU 67 H LEU 67 2.385 -0.916 6.757 497 HA LEU 67 HA LEU 67 -0.205 0.150 6.169 498 HB2 LEU 67 2HB LEU 67 0.706 -2.701 6.139 499 HB3 LEU 67 1HB LEU 67 -0.767 -2.075 5.447 500 HG LEU 67 HG LEU 67 2.053 -1.692 4.427 501 HD11 LEU 67 1HD1 LEU 67 0.954 -3.758 3.959 502 HD12 LEU 67 2HD1 LEU 67 1.145 -2.732 2.507 503 HD13 LEU 67 3HD1 LEU 67 -0.418 -2.807 3.323 504 HD21 LEU 67 3HD2 LEU 67 -0.492 -0.394 3.477 505 HD22 LEU 67 1HD2 LEU 67 1.076 -0.359 2.655 506 HD23 LEU 67 2HD2 LEU 67 0.900 0.414 4.223 507 H ARG 68 H ARG 68 -2.106 -0.400 7.071 508 HA ARG 68 HA ARG 68 -2.259 -2.160 9.397 509 HB2 ARG 68 2HB ARG 68 -1.837 0.382 10.014 510 HB3 ARG 68 1HB ARG 68 -3.502 0.583 9.488 511 HG2 ARG 68 2HG ARG 68 -3.438 0.369 11.836 512 HG3 ARG 68 1HG ARG 68 -4.126 -1.124 11.170 513 HD2 ARG 68 2HD ARG 68 -2.439 -1.502 12.950 514 HD3 ARG 68 1HD ARG 68 -2.011 -2.269 11.410 515 HE ARG 68 HE ARG 68 -0.912 0.334 11.615 516 HH11 ARG 68 1HH1 ARG 68 -0.372 -2.926 12.872 517 HH12 ARG 68 2HH1 ARG 68 1.304 -2.713 13.084 518 HH21 ARG 68 1HH2 ARG 68 1.324 0.625 11.861 519 HH22 ARG 68 2HH2 ARG 68 2.312 -0.615 12.502 520 H ILE 69 H ILE 69 -4.268 -3.298 9.111 521 HA ILE 69 HA ILE 69 -5.792 -2.327 6.896 522 HB ILE 69 HB ILE 69 -7.299 -4.332 7.185 523 HG12 ILE 69 2HG1 ILE 69 -6.206 -6.317 8.400 524 HG13 ILE 69 1HG1 ILE 69 -5.208 -5.121 9.212 525 HG21 ILE 69 1HG2 ILE 69 -5.786 -5.892 6.157 526 HG22 ILE 69 2HG2 ILE 69 -4.422 -4.840 6.580 527 HG23 ILE 69 3HG2 ILE 69 -5.682 -4.276 5.475 528 HD11 ILE 69 3HD1 ILE 69 -8.203 -5.297 9.326 529 HD12 ILE 69 1HD1 ILE 69 -7.205 -4.103 10.150 530 HD13 ILE 69 2HD1 ILE 69 -7.084 -5.812 10.591 531 H LYS 70 H LYS 70 -7.784 -1.638 6.730 532 HA LYS 70 HA LYS 70 -8.791 -0.063 8.812 533 HB2 LYS 70 2HB LYS 70 -9.161 0.253 6.267 534 HB3 LYS 70 1HB LYS 70 -10.229 -1.092 6.399 535 HG2 LYS 70 2HG LYS 70 -11.714 0.011 7.858 536 HG3 LYS 70 1HG LYS 70 -10.637 1.414 7.943 537 HD2 LYS 70 2HD LYS 70 -10.947 1.836 5.570 538 HD3 LYS 70 1HD LYS 70 -11.930 0.383 5.419 539 HE2 LYS 70 2HE LYS 70 -13.595 1.337 6.880 540 HE3 LYS 70 1HE LYS 70 -12.610 2.784 7.101 541 HZ1 LYS 70 3HZ LYS 70 -14.330 3.147 5.449 542 HZ2 LYS 70 1HZ LYS 70 -13.777 1.854 4.525 543 HZ3 LYS 70 2HZ LYS 70 -12.811 3.223 4.724 Start of MODEL 8 1 H1 MET 1 1HT MET 1 2.733 16.401 5.683 2 H2 MET 1 2HT MET 1 2.878 16.526 4.024 3 H3 MET 1 3HT MET 1 4.244 16.766 4.986 4 HA MET 1 HA MET 1 4.268 14.581 3.940 5 HB2 MET 1 2HB MET 1 3.519 14.373 6.878 6 HB3 MET 1 1HB MET 1 4.341 13.142 5.952 7 HG2 MET 1 2HG MET 1 6.259 14.613 5.685 8 HG3 MET 1 1HG MET 1 5.422 15.876 6.588 9 HE1 MET 1 2HE MET 1 8.143 14.746 9.159 10 HE2 MET 1 3HE MET 1 7.427 16.104 8.289 11 HE3 MET 1 1HE MET 1 8.328 14.870 7.409 12 H ALA 2 H ALA 2 3.190 12.371 4.077 13 HA ALA 2 HA ALA 2 0.289 12.708 4.168 14 HB1 ALA 2 1HB ALA 2 0.086 11.133 2.320 15 HB2 ALA 2 2HB ALA 2 1.843 10.979 2.239 16 HB3 ALA 2 3HB ALA 2 1.070 12.515 1.845 17 H THR 3 H THR 3 0.070 11.929 6.195 18 HA THR 3 HA THR 3 0.960 9.190 6.645 19 HB THR 3 HB THR 3 0.870 9.785 9.090 20 HG1 THR 3 1HG THR 3 0.086 11.617 9.589 21 HG21 THR 3 3HG2 THR 3 2.788 11.395 7.381 22 HG22 THR 3 1HG2 THR 3 3.011 9.722 7.886 23 HG23 THR 3 2HG2 THR 3 3.015 11.011 9.088 24 H ASN 4 H ASN 4 -0.404 7.781 7.527 25 HA ASN 4 HA ASN 4 -2.357 6.660 7.623 26 HB2 ASN 4 2HB ASN 4 -3.100 9.098 9.222 27 HB3 ASN 4 1HB ASN 4 -4.277 7.825 8.941 28 HD21 ASN 4 1HD2 ASN 4 -0.857 7.083 9.327 29 HD22 ASN 4 2HD2 ASN 4 -1.035 6.338 10.865 30 H ILE 5 H ILE 5 -2.507 6.593 5.522 31 HA ILE 5 HA ILE 5 -4.358 8.414 4.203 32 HB ILE 5 HB ILE 5 -2.515 6.303 3.100 33 HG12 ILE 5 2HG1 ILE 5 -2.224 9.298 3.334 34 HG13 ILE 5 1HG1 ILE 5 -1.234 8.010 4.028 35 HG21 ILE 5 1HG2 ILE 5 -4.395 6.612 1.640 36 HG22 ILE 5 2HG2 ILE 5 -2.944 7.303 0.914 37 HG23 ILE 5 3HG2 ILE 5 -4.164 8.371 1.633 38 HD11 ILE 5 3HD1 ILE 5 -0.470 7.352 1.913 39 HD12 ILE 5 1HD1 ILE 5 -0.164 9.080 2.138 40 HD13 ILE 5 2HD1 ILE 5 -1.523 8.538 1.128 41 H VAL 6 H VAL 6 -6.100 7.670 3.177 42 HA VAL 6 HA VAL 6 -7.084 5.091 4.015 43 HB VAL 6 HB VAL 6 -8.412 7.333 2.484 44 HG11 VAL 6 1HG1 VAL 6 -9.282 5.200 1.773 45 HG12 VAL 6 2HG1 VAL 6 -10.510 6.079 2.684 46 HG13 VAL 6 3HG1 VAL 6 -9.630 4.735 3.438 47 HG21 VAL 6 3HG2 VAL 6 -8.831 6.360 5.312 48 HG22 VAL 6 1HG2 VAL 6 -9.772 7.618 4.513 49 HG23 VAL 6 2HG2 VAL 6 -8.053 7.868 4.828 50 H GLY 7 H GLY 7 -7.124 3.437 2.647 51 HA2 GLY 7 2HA GLY 7 -7.651 3.918 -0.021 52 HA3 GLY 7 1HA GLY 7 -6.062 3.281 0.087 53 H LYS 8 H LYS 8 -7.530 1.938 -1.250 54 HA LYS 8 HA LYS 8 -8.256 -0.416 0.297 55 HB2 LYS 8 2HB LYS 8 -10.271 0.591 -0.467 56 HB3 LYS 8 1HB LYS 8 -9.676 0.847 -2.077 57 HG2 LYS 8 2HG LYS 8 -9.645 -1.544 -2.421 58 HG3 LYS 8 1HG LYS 8 -10.294 -1.778 -0.786 59 HD2 LYS 8 2HD LYS 8 -12.222 -1.758 -2.247 60 HD3 LYS 8 1HD LYS 8 -12.035 -0.212 -1.371 61 HE2 LYS 8 2HE LYS 8 -12.702 0.182 -3.697 62 HE3 LYS 8 1HE LYS 8 -11.163 0.911 -3.311 63 HZ1 LYS 8 3HZ LYS 8 -10.112 -1.110 -4.422 64 HZ2 LYS 8 1HZ LYS 8 -11.051 -0.150 -5.448 65 HZ3 LYS 8 2HZ LYS 8 -11.664 -1.564 -4.829 66 H VAL 9 H VAL 9 -7.285 -2.178 -0.359 67 HA VAL 9 HA VAL 9 -5.079 -2.065 -2.087 68 HB VAL 9 HB VAL 9 -6.607 -4.484 -1.069 69 HG11 VAL 9 1HG1 VAL 9 -5.257 -5.046 -2.999 70 HG12 VAL 9 2HG1 VAL 9 -4.600 -5.760 -1.529 71 HG13 VAL 9 3HG1 VAL 9 -3.824 -4.335 -2.240 72 HG21 VAL 9 3HG2 VAL 9 -4.124 -3.149 -0.009 73 HG22 VAL 9 1HG2 VAL 9 -4.841 -4.632 0.620 74 HG23 VAL 9 2HG2 VAL 9 -5.723 -3.109 0.730 75 H LYS 10 H LYS 10 -5.145 -1.834 -4.231 76 HA LYS 10 HA LYS 10 -7.391 -2.464 -5.873 77 HB2 LYS 10 2HB LYS 10 -4.489 -2.004 -6.433 78 HB3 LYS 10 1HB LYS 10 -5.615 -2.403 -7.718 79 HG2 LYS 10 2HG LYS 10 -6.744 -0.255 -7.255 80 HG3 LYS 10 1HG LYS 10 -5.555 0.057 -5.971 81 HD2 LYS 10 2HD LYS 10 -3.741 -0.153 -7.593 82 HD3 LYS 10 1HD LYS 10 -4.893 -0.466 -8.865 83 HE2 LYS 10 2HE LYS 10 -4.784 2.080 -7.274 84 HE3 LYS 10 1HE LYS 10 -3.946 1.855 -8.789 85 HZ1 LYS 10 3HZ LYS 10 -6.057 2.972 -9.120 86 HZ2 LYS 10 1HZ LYS 10 -6.912 1.673 -8.459 87 HZ3 LYS 10 2HZ LYS 10 -6.040 1.477 -9.887 88 H TRP 11 H TRP 11 -4.262 -3.964 -5.281 89 HA TRP 11 HA TRP 11 -5.113 -6.618 -5.308 90 HB2 TRP 11 2HB TRP 11 -3.890 -7.371 -7.333 91 HB3 TRP 11 1HB TRP 11 -5.297 -6.432 -7.758 92 HD1 TRP 11 HD TRP 11 -4.787 -3.974 -8.867 93 HE1 TRP 11 1HE TRP 11 -2.678 -3.048 -10.040 94 HE3 TRP 11 3HE TRP 11 -1.465 -7.439 -7.331 95 HZ2 TRP 11 2HZ TRP 11 0.045 -3.730 -10.269 96 HZ3 TRP 11 3HZ TRP 11 0.909 -7.258 -8.061 97 HH2 TRP 11 HH TRP 11 1.629 -5.435 -9.504 98 H TYR 12 H TYR 12 -3.184 -8.029 -5.189 99 HA TYR 12 HA TYR 12 -0.647 -6.716 -4.777 100 HB2 TYR 12 2HB TYR 12 -1.717 -6.381 -2.582 101 HB3 TYR 12 1HB TYR 12 -2.019 -8.107 -2.465 102 HD1 TYR 12 2HD TYR 12 0.763 -5.648 -2.776 103 HD2 TYR 12 1HD TYR 12 -0.440 -9.487 -1.408 104 HE1 TYR 12 2HE TYR 12 2.954 -5.937 -1.681 105 HE2 TYR 12 1HE TYR 12 1.742 -9.786 -0.310 106 HH TYR 12 HH TYR 12 3.979 -8.958 -0.451 107 H ASN 13 H ASN 13 0.820 -7.969 -5.661 108 HA ASN 13 HA ASN 13 0.247 -10.808 -5.813 109 HB2 ASN 13 2HB ASN 13 2.177 -9.085 -7.368 110 HB3 ASN 13 1HB ASN 13 2.264 -10.842 -7.401 111 HD21 ASN 13 1HD2 ASN 13 1.678 -8.955 -9.609 112 HD22 ASN 13 2HD2 ASN 13 0.124 -9.417 -10.180 113 H SER 14 H SER 14 0.775 -11.707 -4.019 114 HA SER 14 HA SER 14 2.755 -10.941 -2.264 115 HB2 SER 14 2HB SER 14 1.475 -13.652 -2.642 116 HB3 SER 14 1HB SER 14 2.294 -13.078 -1.181 117 HG SER 14 HG SER 14 -0.062 -12.819 -1.147 118 H THR 15 H THR 15 2.866 -13.184 -4.998 119 HA THR 15 HA THR 15 5.369 -14.330 -4.458 120 HB THR 15 HB THR 15 4.033 -13.871 -7.148 121 HG1 THR 15 1HG THR 15 3.811 -15.912 -5.189 122 HG21 THR 15 3HG2 THR 15 6.392 -14.593 -7.325 123 HG22 THR 15 1HG2 THR 15 5.294 -15.873 -7.841 124 HG23 THR 15 2HG2 THR 15 6.050 -15.952 -6.252 125 H LYS 16 H LYS 16 4.432 -11.280 -5.915 126 HA LYS 16 HA LYS 16 7.179 -10.793 -6.813 127 HB2 LYS 16 2HB LYS 16 4.609 -9.308 -7.327 128 HB3 LYS 16 1HB LYS 16 6.182 -8.781 -7.907 129 HG2 LYS 16 2HG LYS 16 6.413 -10.775 -9.225 130 HG3 LYS 16 1HG LYS 16 4.898 -11.417 -8.587 131 HD2 LYS 16 2HD LYS 16 3.665 -9.622 -9.640 132 HD3 LYS 16 1HD LYS 16 5.164 -8.868 -10.182 133 HE2 LYS 16 2HE LYS 16 4.068 -10.106 -11.999 134 HE3 LYS 16 1HE LYS 16 5.641 -10.781 -11.594 135 HZ1 LYS 16 3HZ LYS 16 3.035 -11.909 -10.674 136 HZ2 LYS 16 1HZ LYS 16 4.565 -12.562 -10.407 137 HZ3 LYS 16 2HZ LYS 16 3.952 -12.476 -11.960 138 H ASN 17 H ASN 17 5.241 -10.190 -4.164 139 HA ASN 17 HA ASN 17 5.477 -8.965 -2.260 140 HB2 ASN 17 2HB ASN 17 8.239 -8.436 -3.368 141 HB3 ASN 17 1HB ASN 17 7.708 -7.759 -1.847 142 HD21 ASN 17 1HD2 ASN 17 6.818 -10.985 -2.915 143 HD22 ASN 17 2HD2 ASN 17 7.753 -11.823 -1.733 144 H PHE 18 H PHE 18 4.446 -7.742 -4.815 145 HA PHE 18 HA PHE 18 4.158 -5.179 -3.636 146 HB2 PHE 18 2HB PHE 18 4.715 -3.828 -5.618 147 HB3 PHE 18 1HB PHE 18 6.112 -4.646 -4.959 148 HD1 PHE 18 1HD PHE 18 3.657 -4.644 -7.731 149 HD2 PHE 18 2HD PHE 18 7.397 -6.111 -6.326 150 HE1 PHE 18 1HE PHE 18 4.182 -5.462 -9.991 151 HE2 PHE 18 2HE PHE 18 7.926 -6.935 -8.576 152 HZ PHE 18 HZ PHE 18 6.319 -6.613 -10.414 153 H GLY 19 H GLY 19 2.627 -3.831 -4.664 154 HA2 GLY 19 2HA GLY 19 0.763 -4.850 -6.572 155 HA3 GLY 19 1HA GLY 19 0.151 -4.908 -4.916 156 H PHE 20 H PHE 20 -1.427 -3.306 -5.723 157 HA PHE 20 HA PHE 20 -0.321 -0.634 -5.337 158 HB2 PHE 20 2HB PHE 20 -2.080 -1.442 -7.634 159 HB3 PHE 20 1HB PHE 20 -2.033 0.202 -6.984 160 HD1 PHE 20 1HD PHE 20 0.118 -2.448 -8.481 161 HD2 PHE 20 2HD PHE 20 -0.426 1.703 -7.761 162 HE1 PHE 20 1HE PHE 20 2.023 -1.950 -9.951 163 HE2 PHE 20 2HE PHE 20 1.486 2.216 -9.226 164 HZ PHE 20 HZ PHE 20 2.711 0.389 -10.325 165 H ILE 21 H ILE 21 -1.811 0.965 -4.626 166 HA ILE 21 HA ILE 21 -4.293 -0.095 -3.476 167 HB ILE 21 HB ILE 21 -2.277 1.682 -2.044 168 HG12 ILE 21 2HG1 ILE 21 -3.045 -1.188 -1.433 169 HG13 ILE 21 1HG1 ILE 21 -1.544 -0.693 -2.206 170 HG21 ILE 21 1HG2 ILE 21 -4.551 2.225 -1.434 171 HG22 ILE 21 2HG2 ILE 21 -3.737 1.415 -0.096 172 HG23 ILE 21 3HG2 ILE 21 -4.893 0.529 -1.094 173 HD11 ILE 21 3HD1 ILE 21 -2.421 0.068 0.573 174 HD12 ILE 21 1HD1 ILE 21 -0.902 0.515 -0.193 175 HD13 ILE 21 2HD1 ILE 21 -1.235 -1.178 0.167 176 H GLU 22 H GLU 22 -6.016 1.397 -3.603 177 HA GLU 22 HA GLU 22 -5.449 4.223 -4.074 178 HB2 GLU 22 2HB GLU 22 -7.155 4.363 -5.797 179 HB3 GLU 22 1HB GLU 22 -5.960 3.200 -6.339 180 HG2 GLU 22 2HG GLU 22 -7.392 1.364 -5.709 181 HG3 GLU 22 1HG GLU 22 -8.548 2.496 -4.987 182 H GLN 23 H GLN 23 -7.131 5.415 -3.016 183 HA GLN 23 HA GLN 23 -8.824 3.702 -1.426 184 HB2 GLN 23 2HB GLN 23 -9.766 5.647 -0.388 185 HB3 GLN 23 1HB GLN 23 -8.025 5.804 -0.388 186 HG2 GLN 23 2HG GLN 23 -8.226 7.287 -2.336 187 HG3 GLN 23 1HG GLN 23 -9.975 7.172 -2.177 188 HE21 GLN 23 1HE2 GLN 23 -7.084 8.243 -0.653 189 HE22 GLN 23 2HE2 GLN 23 -7.818 9.349 0.430 190 H ASP 24 H ASP 24 -10.844 3.663 -1.369 191 HA ASP 24 HA ASP 24 -12.218 3.134 -3.753 192 HB2 ASP 24 2HB ASP 24 -12.947 2.344 -1.576 193 HB3 ASP 24 1HB ASP 24 -13.419 3.967 -1.135 194 H ASN 25 H ASN 25 -11.889 6.099 -2.086 195 HA ASN 25 HA ASN 25 -13.961 7.511 -3.525 196 HB2 ASN 25 2HB ASN 25 -11.700 8.727 -1.905 197 HB3 ASN 25 1HB ASN 25 -13.105 9.587 -2.511 198 HD21 ASN 25 1HD2 ASN 25 -11.836 7.586 -0.042 199 HD22 ASN 25 2HD2 ASN 25 -13.266 7.495 0.922 200 H GLY 26 H GLY 26 -11.124 6.345 -4.659 201 HA2 GLY 26 2HA GLY 26 -10.420 6.728 -6.868 202 HA3 GLY 26 1HA GLY 26 -11.096 8.352 -6.778 203 H GLY 27 H GLY 27 -8.817 6.548 -4.777 204 HA2 GLY 27 2HA GLY 27 -7.248 8.931 -4.407 205 HA3 GLY 27 1HA GLY 27 -6.852 7.376 -3.719 206 H LYS 28 H LYS 28 -4.788 8.698 -4.586 207 HA LYS 28 HA LYS 28 -4.240 8.395 -7.345 208 HB2 LYS 28 2HB LYS 28 -2.455 9.086 -5.040 209 HB3 LYS 28 1HB LYS 28 -1.871 8.942 -6.693 210 HG2 LYS 28 2HG LYS 28 -3.425 10.683 -7.394 211 HG3 LYS 28 1HG LYS 28 -4.001 10.846 -5.738 212 HD2 LYS 28 2HD LYS 28 -1.789 11.497 -5.013 213 HD3 LYS 28 1HD LYS 28 -1.181 11.240 -6.655 214 HE2 LYS 28 2HE LYS 28 -2.619 12.993 -7.496 215 HE3 LYS 28 1HE LYS 28 -3.307 13.249 -5.893 216 HZ1 LYS 28 3HZ LYS 28 -1.112 13.970 -5.140 217 HZ2 LYS 28 1HZ LYS 28 -1.644 14.905 -6.427 218 HZ3 LYS 28 2HZ LYS 28 -0.477 13.730 -6.682 219 H ASP 29 H ASP 29 -2.353 7.259 -8.166 220 HA ASP 29 HA ASP 29 -2.569 4.501 -7.356 221 HB2 ASP 29 2HB ASP 29 -1.237 5.763 -9.759 222 HB3 ASP 29 1HB ASP 29 -1.238 4.035 -9.433 223 H VAL 30 H VAL 30 -1.451 4.214 -5.600 224 HA VAL 30 HA VAL 30 1.422 4.669 -5.782 225 HB VAL 30 HB VAL 30 0.610 6.084 -3.993 226 HG11 VAL 30 1HG1 VAL 30 -1.580 5.002 -3.633 227 HG12 VAL 30 2HG1 VAL 30 -0.679 5.333 -2.150 228 HG13 VAL 30 3HG1 VAL 30 -0.741 3.681 -2.780 229 HG21 VAL 30 3HG2 VAL 30 1.763 3.564 -2.828 230 HG22 VAL 30 1HG2 VAL 30 1.646 5.098 -1.982 231 HG23 VAL 30 2HG2 VAL 30 2.651 4.964 -3.420 232 H PHE 31 H PHE 31 2.746 2.947 -5.446 233 HA PHE 31 HA PHE 31 1.317 0.441 -5.385 234 HB2 PHE 31 2HB PHE 31 3.410 -0.640 -6.105 235 HB3 PHE 31 1HB PHE 31 2.876 0.619 -7.213 236 HD1 PHE 31 2HD PHE 31 4.192 2.674 -7.422 237 HD2 PHE 31 1HD PHE 31 5.460 -0.525 -4.924 238 HE1 PHE 31 2HE PHE 31 6.461 3.619 -7.368 239 HE2 PHE 31 1HE PHE 31 7.734 0.411 -4.870 240 HZ PHE 31 HZ PHE 31 8.237 2.488 -6.092 241 H VAL 32 H VAL 32 1.890 -1.260 -4.075 242 HA VAL 32 HA VAL 32 3.097 -0.353 -1.569 243 HB VAL 32 HB VAL 32 0.740 -0.908 -1.254 244 HG11 VAL 32 1HG1 VAL 32 1.397 -3.639 -2.321 245 HG12 VAL 32 2HG1 VAL 32 0.374 -2.426 -3.095 246 HG13 VAL 32 3HG1 VAL 32 -0.133 -3.171 -1.575 247 HG21 VAL 32 3HG2 VAL 32 0.928 -2.662 0.438 248 HG22 VAL 32 1HG2 VAL 32 2.158 -1.409 0.630 249 HG23 VAL 32 2HG2 VAL 32 2.575 -2.983 -0.074 250 H HIS 33 H HIS 33 4.888 -1.241 -1.001 251 HA HIS 33 HA HIS 33 5.762 -3.755 -2.309 252 HB2 HIS 33 2HB HIS 33 7.215 -1.786 -2.790 253 HB3 HIS 33 1HB HIS 33 7.442 -1.545 -1.058 254 HD1 HIS 33 1HD HIS 33 7.863 -4.476 -3.443 255 HD2 HIS 33 2HD HIS 33 9.755 -2.649 -0.261 256 HE1 HIS 33 1HE HIS 33 9.741 -5.937 -2.877 257 HE2 HIS 33 2HE HIS 33 11.119 -4.591 -1.285 258 H LYS 34 H LYS 34 6.795 -5.324 -1.000 259 HA LYS 34 HA LYS 34 5.393 -5.745 1.374 260 HB2 LYS 34 2HB LYS 34 6.230 -7.610 0.003 261 HB3 LYS 34 1HB LYS 34 7.873 -7.207 0.472 262 HG2 LYS 34 2HG LYS 34 7.447 -7.814 2.763 263 HG3 LYS 34 1HG LYS 34 5.726 -7.986 2.429 264 HD2 LYS 34 2HD LYS 34 6.100 -9.770 1.011 265 HD3 LYS 34 1HD LYS 34 7.871 -9.639 1.171 266 HE2 LYS 34 2HE LYS 34 5.870 -10.303 3.356 267 HE3 LYS 34 1HE LYS 34 6.911 -11.472 2.549 268 HZ1 LYS 34 3HZ LYS 34 8.831 -10.336 3.481 269 HZ2 LYS 34 1HZ LYS 34 7.782 -10.826 4.697 270 HZ3 LYS 34 2HZ LYS 34 7.850 -9.223 4.282 271 H SER 35 H SER 35 8.255 -3.979 0.947 272 HA SER 35 HA SER 35 9.264 -3.999 3.590 273 HB2 SER 35 2HB SER 35 10.377 -2.801 1.694 274 HB3 SER 35 1HB SER 35 9.089 -1.599 1.723 275 HG SER 35 HG SER 35 11.027 -2.182 3.678 276 H ALA 36 H ALA 36 6.328 -2.608 2.340 277 HA ALA 36 HA ALA 36 5.766 -1.029 4.658 278 HB1 ALA 36 1HB ALA 36 3.904 -2.089 2.587 279 HB2 ALA 36 2HB ALA 36 4.856 -0.608 2.432 280 HB3 ALA 36 3HB ALA 36 3.627 -0.748 3.714 281 H VAL 37 H VAL 37 4.961 -4.210 3.446 282 HA VAL 37 HA VAL 37 3.270 -5.017 5.557 283 HB VAL 37 HB VAL 37 5.109 -6.724 3.790 284 HG11 VAL 37 1HG1 VAL 37 2.913 -7.631 5.656 285 HG12 VAL 37 2HG1 VAL 37 4.600 -7.799 5.996 286 HG13 VAL 37 3HG1 VAL 37 3.892 -8.656 4.617 287 HG21 VAL 37 3HG2 VAL 37 3.287 -5.575 2.588 288 HG22 VAL 37 1HG2 VAL 37 2.121 -6.273 3.719 289 HG23 VAL 37 2HG2 VAL 37 3.034 -7.322 2.647 290 H ASP 38 H ASP 38 6.690 -5.328 4.946 291 HA ASP 38 HA ASP 38 7.549 -6.613 7.246 292 HB2 ASP 38 2HB ASP 38 8.927 -6.262 5.244 293 HB3 ASP 38 1HB ASP 38 8.970 -4.539 5.579 294 H ALA 39 H ALA 39 6.695 -3.259 6.733 295 HA ALA 39 HA ALA 39 7.878 -2.197 9.060 296 HB1 ALA 39 1HB ALA 39 7.072 -0.810 7.212 297 HB2 ALA 39 2HB ALA 39 6.401 -0.290 8.760 298 HB3 ALA 39 3HB ALA 39 5.412 -1.224 7.632 299 H ALA 40 H ALA 40 5.010 -4.129 8.705 300 HA ALA 40 HA ALA 40 4.485 -3.755 11.591 301 HB1 ALA 40 1HB ALA 40 2.083 -3.848 11.232 302 HB2 ALA 40 2HB ALA 40 2.338 -4.016 9.494 303 HB3 ALA 40 3HB ALA 40 2.795 -2.522 10.312 304 H GLY 41 H GLY 41 4.712 -5.917 8.938 305 HA2 GLY 41 2HA GLY 41 4.914 -8.164 8.859 306 HA3 GLY 41 1HA GLY 41 4.588 -8.310 10.563 307 H LEU 42 H LEU 42 2.860 -6.938 7.841 308 HA LEU 42 HA LEU 42 0.283 -7.781 8.697 309 HB2 LEU 42 2HB LEU 42 1.242 -5.836 7.100 310 HB3 LEU 42 1HB LEU 42 0.933 -7.043 5.879 311 HG LEU 42 HG LEU 42 -0.854 -5.483 5.974 312 HD11 LEU 42 1HD1 LEU 42 -1.714 -8.105 7.144 313 HD12 LEU 42 2HD1 LEU 42 -1.507 -7.725 5.429 314 HD13 LEU 42 3HD1 LEU 42 -2.776 -6.932 6.365 315 HD21 LEU 42 3HD2 LEU 42 -2.254 -5.165 7.961 316 HD22 LEU 42 1HD2 LEU 42 -0.572 -4.690 8.217 317 HD23 LEU 42 2HD2 LEU 42 -1.164 -6.211 8.877 318 H HIS 43 H HIS 43 -0.714 -9.727 8.172 319 HA HIS 43 HA HIS 43 0.941 -11.802 7.202 320 HB2 HIS 43 2HB HIS 43 -2.009 -11.874 7.823 321 HB3 HIS 43 1HB HIS 43 -1.082 -13.281 7.334 322 HD1 HIS 43 1HD HIS 43 -1.902 -11.217 10.279 323 HD2 HIS 43 2HD HIS 43 0.954 -14.051 9.229 324 HE1 HIS 43 1HE HIS 43 -0.881 -11.972 12.430 325 HE2 HIS 43 2HE HIS 43 1.009 -13.463 11.743 326 H SER 44 H SER 44 -1.805 -10.202 5.591 327 HA SER 44 HA SER 44 -0.678 -10.983 3.071 328 HB2 SER 44 2HB SER 44 -2.710 -12.221 2.337 329 HB3 SER 44 1HB SER 44 -1.811 -13.051 3.605 330 HG SER 44 HG SER 44 -3.945 -11.319 4.267 331 H LEU 45 H LEU 45 -1.867 -10.035 1.264 332 HA LEU 45 HA LEU 45 -3.845 -8.016 2.024 333 HB2 LEU 45 2HB LEU 45 -1.662 -7.638 -0.002 334 HB3 LEU 45 1HB LEU 45 -2.911 -6.506 0.377 335 HG LEU 45 HG LEU 45 -0.733 -7.290 2.319 336 HD11 LEU 45 1HD1 LEU 45 -1.095 -4.798 0.659 337 HD12 LEU 45 2HD1 LEU 45 0.136 -6.039 0.410 338 HD13 LEU 45 3HD1 LEU 45 0.153 -5.056 1.873 339 HD21 LEU 45 3HD2 LEU 45 -2.856 -5.136 2.441 340 HD22 LEU 45 1HD2 LEU 45 -1.567 -5.383 3.620 341 HD23 LEU 45 2HD2 LEU 45 -2.816 -6.606 3.415 342 H GLU 46 H GLU 46 -5.420 -7.825 0.586 343 HA GLU 46 HA GLU 46 -5.256 -8.947 -2.027 344 HB2 GLU 46 2HB GLU 46 -7.373 -10.258 -1.798 345 HB3 GLU 46 1HB GLU 46 -6.015 -10.961 -0.955 346 HG2 GLU 46 2HG GLU 46 -8.164 -9.317 0.382 347 HG3 GLU 46 1HG GLU 46 -8.213 -11.073 0.236 348 H GLU 47 H GLU 47 -7.258 -8.487 -3.241 349 HA GLU 47 HA GLU 47 -7.772 -5.745 -2.890 350 HB2 GLU 47 2HB GLU 47 -9.371 -6.017 -4.790 351 HB3 GLU 47 1HB GLU 47 -7.703 -6.434 -5.122 352 HG2 GLU 47 2HG GLU 47 -9.737 -8.515 -4.403 353 HG3 GLU 47 1HG GLU 47 -9.564 -7.903 -6.048 354 H GLY 48 H GLY 48 -9.733 -4.722 -2.744 355 HA2 GLY 48 2HA GLY 48 -11.923 -4.461 -1.987 356 HA3 GLY 48 1HA GLY 48 -11.954 -6.141 -1.495 357 H GLN 49 H GLN 49 -9.190 -5.428 -0.194 358 HA GLN 49 HA GLN 49 -10.320 -4.832 2.372 359 HB2 GLN 49 2HB GLN 49 -7.613 -5.599 1.367 360 HB3 GLN 49 1HB GLN 49 -7.838 -5.060 3.019 361 HG2 GLN 49 2HG GLN 49 -9.556 -7.174 1.922 362 HG3 GLN 49 1HG GLN 49 -7.909 -7.632 2.411 363 HE21 GLN 49 1HE2 GLN 49 -9.925 -5.200 4.041 364 HE22 GLN 49 2HE2 GLN 49 -10.164 -6.126 5.465 365 H ASP 50 H ASP 50 -10.453 -2.900 3.179 366 HA ASP 50 HA ASP 50 -9.088 -0.673 1.959 367 HB2 ASP 50 2HB ASP 50 -10.632 -0.734 4.562 368 HB3 ASP 50 1HB ASP 50 -10.017 0.706 3.775 369 H VAL 51 H VAL 51 -7.312 0.251 2.661 370 HA VAL 51 HA VAL 51 -6.120 -0.889 5.017 371 HB VAL 51 HB VAL 51 -5.402 -2.193 3.112 372 HG11 VAL 51 1HG1 VAL 51 -5.460 -0.586 1.287 373 HG12 VAL 51 2HG1 VAL 51 -3.867 -1.270 1.387 374 HG13 VAL 51 3HG1 VAL 51 -4.175 0.340 2.052 375 HG21 VAL 51 3HG2 VAL 51 -3.214 -0.575 4.387 376 HG22 VAL 51 1HG2 VAL 51 -2.976 -2.139 3.579 377 HG23 VAL 51 2HG2 VAL 51 -4.008 -2.008 5.022 378 H ILE 52 H ILE 52 -4.612 0.319 5.927 379 HA ILE 52 HA ILE 52 -4.698 3.199 5.331 380 HB ILE 52 HB ILE 52 -4.120 1.761 7.938 381 HG12 ILE 52 2HG1 ILE 52 -6.640 3.236 7.150 382 HG13 ILE 52 1HG1 ILE 52 -6.475 1.484 7.188 383 HG21 ILE 52 1HG2 ILE 52 -4.366 3.991 8.965 384 HG22 ILE 52 2HG2 ILE 52 -4.588 4.691 7.362 385 HG23 ILE 52 3HG2 ILE 52 -3.048 3.948 7.793 386 HD11 ILE 52 3HD1 ILE 52 -6.056 1.581 9.589 387 HD12 ILE 52 1HD1 ILE 52 -7.608 2.314 9.178 388 HD13 ILE 52 2HD1 ILE 52 -6.217 3.332 9.554 389 H PHE 53 H PHE 53 -2.737 4.086 4.882 390 HA PHE 53 HA PHE 53 -0.322 2.755 5.837 391 HB2 PHE 53 2HB PHE 53 0.729 2.929 3.614 392 HB3 PHE 53 1HB PHE 53 -0.497 1.695 3.610 393 HD1 PHE 53 1HD PHE 53 -2.780 2.351 2.569 394 HD2 PHE 53 2HD PHE 53 0.737 4.722 2.128 395 HE1 PHE 53 1HE PHE 53 -3.746 3.430 0.619 396 HE2 PHE 53 2HE PHE 53 -0.239 5.794 0.171 397 HZ PHE 53 HZ PHE 53 -2.474 5.156 -0.596 398 H ASP 54 H ASP 54 1.634 4.167 5.010 399 HA ASP 54 HA ASP 54 0.782 6.961 5.043 400 HB2 ASP 54 2HB ASP 54 3.354 5.780 6.179 401 HB3 ASP 54 1HB ASP 54 2.958 7.490 6.127 402 H LEU 55 H LEU 55 2.230 8.289 3.713 403 HA LEU 55 HA LEU 55 3.466 6.603 1.689 404 HB2 LEU 55 2HB LEU 55 1.352 7.295 0.827 405 HB3 LEU 55 1HB LEU 55 1.749 8.945 1.282 406 HG LEU 55 HG LEU 55 3.291 9.176 -0.546 407 HD11 LEU 55 1HD1 LEU 55 4.335 6.996 -0.415 408 HD12 LEU 55 2HD1 LEU 55 3.797 7.312 -2.060 409 HD13 LEU 55 3HD1 LEU 55 2.874 6.229 -1.009 410 HD21 LEU 55 3HD2 LEU 55 1.861 8.757 -2.477 411 HD22 LEU 55 1HD2 LEU 55 0.921 9.398 -1.130 412 HD23 LEU 55 2HD2 LEU 55 0.851 7.678 -1.518 413 H GLU 56 H GLU 56 5.322 6.860 1.701 414 HA GLU 56 HA GLU 56 6.571 9.505 1.887 415 HB2 GLU 56 2HB GLU 56 7.755 6.786 2.478 416 HB3 GLU 56 1HB GLU 56 8.656 8.293 2.483 417 HG2 GLU 56 2HG GLU 56 7.241 9.118 4.282 418 HG3 GLU 56 1HG GLU 56 6.388 7.570 4.310 419 H GLU 57 H GLU 57 7.978 10.046 0.297 420 HA GLU 57 HA GLU 57 7.485 8.603 -2.157 421 HB2 GLU 57 2HB GLU 57 7.277 11.108 -1.984 422 HB3 GLU 57 1HB GLU 57 9.019 11.177 -1.759 423 HG2 GLU 57 2HG GLU 57 9.336 10.157 -3.958 424 HG3 GLU 57 1HG GLU 57 7.589 10.101 -4.173 425 H LYS 58 H LYS 58 9.057 7.644 -3.376 426 HA LYS 58 HA LYS 58 11.494 6.825 -1.999 427 HB2 LYS 58 2HB LYS 58 9.924 5.224 -3.175 428 HB3 LYS 58 1HB LYS 58 10.277 6.053 -4.661 429 HG2 LYS 58 2HG LYS 58 11.522 4.057 -4.773 430 HG3 LYS 58 1HG LYS 58 12.698 5.282 -4.338 431 HD2 LYS 58 2HD LYS 58 11.354 3.444 -2.348 432 HD3 LYS 58 1HD LYS 58 12.892 3.075 -3.116 433 HE2 LYS 58 2HE LYS 58 13.845 5.115 -2.034 434 HE3 LYS 58 1HE LYS 58 12.284 5.386 -1.259 435 HZ1 LYS 58 3HZ LYS 58 13.937 2.956 -0.849 436 HZ2 LYS 58 1HZ LYS 58 12.488 3.329 -0.087 437 HZ3 LYS 58 2HZ LYS 58 13.853 4.267 0.207 438 H GLN 59 H GLN 59 10.944 9.521 -3.080 439 HA GLN 59 HA GLN 59 11.704 11.199 -4.274 440 HB2 GLN 59 2HB GLN 59 13.923 10.562 -3.331 441 HB3 GLN 59 1HB GLN 59 14.173 9.481 -4.690 442 HG2 GLN 59 2HG GLN 59 14.220 11.356 -6.209 443 HG3 GLN 59 1HG GLN 59 13.883 12.471 -4.882 444 HE21 GLN 59 1HE2 GLN 59 16.235 10.410 -6.356 445 HE22 GLN 59 2HE2 GLN 59 17.603 10.998 -5.489 446 H GLY 60 H GLY 60 10.161 11.126 -5.719 447 HA2 GLY 60 2HA GLY 60 9.686 11.272 -8.030 448 HA3 GLY 60 1HA GLY 60 10.847 9.982 -8.327 449 H LYS 61 H LYS 61 10.197 7.963 -6.838 450 HA LYS 61 HA LYS 61 7.613 7.155 -7.895 451 HB2 LYS 61 2HB LYS 61 9.654 5.506 -6.362 452 HB3 LYS 61 1HB LYS 61 8.240 4.884 -7.186 453 HG2 LYS 61 2HG LYS 61 10.599 6.233 -8.491 454 HG3 LYS 61 1HG LYS 61 10.295 4.501 -8.449 455 HD2 LYS 61 2HD LYS 61 8.475 6.542 -9.737 456 HD3 LYS 61 1HD LYS 61 9.651 5.574 -10.609 457 HE2 LYS 61 2HE LYS 61 8.478 3.529 -9.902 458 HE3 LYS 61 1HE LYS 61 7.309 4.503 -9.024 459 HZ1 LYS 61 3HZ LYS 61 6.708 5.551 -11.138 460 HZ2 LYS 61 1HZ LYS 61 6.424 3.887 -11.176 461 HZ3 LYS 61 2HZ LYS 61 7.774 4.549 -11.951 462 H ALA 62 H ALA 62 6.006 6.126 -6.562 463 HA ALA 62 HA ALA 62 5.997 7.141 -3.790 464 HB1 ALA 62 1HB ALA 62 4.511 8.482 -5.204 465 HB2 ALA 62 2HB ALA 62 3.569 7.515 -4.064 466 HB3 ALA 62 3HB ALA 62 3.698 7.014 -5.742 467 H TYR 63 H TYR 63 5.930 5.468 -2.353 468 HA TYR 63 HA TYR 63 4.291 3.195 -3.106 469 HB2 TYR 63 2HB TYR 63 5.867 1.605 -2.207 470 HB3 TYR 63 1HB TYR 63 6.577 2.507 -3.523 471 HD1 TYR 63 2HD TYR 63 7.818 4.807 -2.409 472 HD2 TYR 63 1HD TYR 63 7.337 0.990 -0.600 473 HE1 TYR 63 2HE TYR 63 9.774 5.235 -0.983 474 HE2 TYR 63 1HE TYR 63 9.287 1.415 0.832 475 HH TYR 63 HH TYR 63 10.625 4.453 1.206 476 H ALA 64 H ALA 64 3.241 2.271 -1.594 477 HA ALA 64 HA ALA 64 2.559 3.730 0.837 478 HB1 ALA 64 1HB ALA 64 0.984 1.912 1.181 479 HB2 ALA 64 2HB ALA 64 1.716 0.991 -0.132 480 HB3 ALA 64 3HB ALA 64 0.863 2.507 -0.465 481 H VAL 65 H VAL 65 3.161 3.450 2.755 482 HA VAL 65 HA VAL 65 4.767 1.106 3.462 483 HB VAL 65 HB VAL 65 6.348 2.454 4.770 484 HG11 VAL 65 1HG1 VAL 65 7.003 1.876 2.532 485 HG12 VAL 65 2HG1 VAL 65 7.631 3.466 2.958 486 HG13 VAL 65 3HG1 VAL 65 6.224 3.326 1.902 487 HG21 VAL 65 3HG2 VAL 65 4.968 4.864 3.581 488 HG22 VAL 65 1HG2 VAL 65 6.460 4.902 4.521 489 HG23 VAL 65 2HG2 VAL 65 4.955 4.380 5.276 490 H ASN 66 H ASN 66 4.995 0.879 5.838 491 HA ASN 66 HA ASN 66 4.063 0.538 7.882 492 HB2 ASN 66 2HB ASN 66 4.480 3.124 7.874 493 HB3 ASN 66 1HB ASN 66 2.790 3.218 7.586 494 HD21 ASN 66 1HD2 ASN 66 2.410 4.263 9.503 495 HD22 ASN 66 2HD2 ASN 66 2.331 3.437 11.030 496 H LEU 67 H LEU 67 2.640 -1.007 6.553 497 HA LEU 67 HA LEU 67 -0.002 -0.056 6.056 498 HB2 LEU 67 2HB LEU 67 0.912 -2.916 5.965 499 HB3 LEU 67 1HB LEU 67 -0.612 -2.288 5.407 500 HG LEU 67 HG LEU 67 2.094 -1.848 4.193 501 HD11 LEU 67 1HD1 LEU 67 0.936 -3.888 3.701 502 HD12 LEU 67 2HD1 LEU 67 1.047 -2.779 2.303 503 HD13 LEU 67 3HD1 LEU 67 -0.461 -2.889 3.204 504 HD21 LEU 67 3HD2 LEU 67 -0.500 -0.487 3.469 505 HD22 LEU 67 1HD2 LEU 67 1.008 -0.420 2.549 506 HD23 LEU 67 2HD2 LEU 67 0.932 0.298 4.156 507 H ARG 68 H ARG 68 -1.804 -0.371 6.974 508 HA ARG 68 HA ARG 68 -2.072 -1.921 9.418 509 HB2 ARG 68 2HB ARG 68 -1.502 0.330 10.079 510 HB3 ARG 68 1HB ARG 68 -2.615 1.007 8.928 511 HG2 ARG 68 2HG ARG 68 -4.475 0.102 10.268 512 HG3 ARG 68 1HG ARG 68 -3.289 -0.487 11.447 513 HD2 ARG 68 2HD ARG 68 -2.454 1.734 11.802 514 HD3 ARG 68 1HD ARG 68 -3.492 2.345 10.512 515 HE ARG 68 HE ARG 68 -5.042 1.130 12.530 516 HH11 ARG 68 1HH1 ARG 68 -3.077 4.035 11.983 517 HH12 ARG 68 2HH1 ARG 68 -3.979 5.015 13.043 518 HH21 ARG 68 1HH2 ARG 68 -6.279 2.481 13.965 519 HH22 ARG 68 2HH2 ARG 68 -5.831 4.120 14.208 520 H ILE 69 H ILE 69 -4.077 -2.998 9.232 521 HA ILE 69 HA ILE 69 -5.581 -2.270 6.882 522 HB ILE 69 HB ILE 69 -6.981 -4.330 7.313 523 HG12 ILE 69 2HG1 ILE 69 -5.862 -6.143 8.721 524 HG13 ILE 69 1HG1 ILE 69 -4.876 -4.875 9.430 525 HG21 ILE 69 1HG2 ILE 69 -5.315 -5.897 6.478 526 HG22 ILE 69 2HG2 ILE 69 -4.058 -4.710 6.828 527 HG23 ILE 69 3HG2 ILE 69 -5.313 -4.344 5.640 528 HD11 ILE 69 3HD1 ILE 69 -7.869 -5.083 9.573 529 HD12 ILE 69 1HD1 ILE 69 -6.886 -3.820 10.314 530 HD13 ILE 69 2HD1 ILE 69 -6.737 -5.495 10.860 531 H LYS 70 H LYS 70 -7.794 -1.829 6.783 532 HA LYS 70 HA LYS 70 -8.607 -0.148 8.915 533 HB2 LYS 70 2HB LYS 70 -9.272 0.145 6.464 534 HB3 LYS 70 1HB LYS 70 -10.381 -1.195 6.713 535 HG2 LYS 70 2HG LYS 70 -11.431 0.062 8.538 536 HG3 LYS 70 1HG LYS 70 -10.369 1.418 8.156 537 HD2 LYS 70 2HD LYS 70 -12.343 2.003 7.027 538 HD3 LYS 70 1HD LYS 70 -11.382 1.210 5.778 539 HE2 LYS 70 2HE LYS 70 -13.582 -0.122 7.389 540 HE3 LYS 70 1HE LYS 70 -13.779 0.528 5.775 541 HZ1 LYS 70 3HZ LYS 70 -13.500 -1.852 5.856 542 HZ2 LYS 70 1HZ LYS 70 -11.958 -1.729 6.487 543 HZ3 LYS 70 2HZ LYS 70 -12.339 -1.169 4.912 Start of MODEL 9 1 H1 MET 1 1HT MET 1 5.658 12.993 2.069 2 H2 MET 1 2HT MET 1 5.198 11.364 2.211 3 H3 MET 1 3HT MET 1 6.769 11.804 2.625 4 HA MET 1 HA MET 1 5.514 11.338 4.513 5 HB2 MET 1 2HB MET 1 7.178 13.215 4.586 6 HB3 MET 1 1HB MET 1 5.889 14.342 4.226 7 HG2 MET 1 2HG MET 1 6.013 12.620 6.713 8 HG3 MET 1 1HG MET 1 6.591 14.273 6.630 9 HE1 MET 1 2HE MET 1 4.957 16.389 6.326 10 HE2 MET 1 3HE MET 1 3.209 16.252 6.131 11 HE3 MET 1 1HE MET 1 4.277 15.678 4.859 12 H ALA 2 H ALA 2 3.527 10.742 4.734 13 HA ALA 2 HA ALA 2 1.432 12.641 4.965 14 HB1 ALA 2 1HB ALA 2 -0.039 11.504 3.307 15 HB2 ALA 2 2HB ALA 2 1.361 10.584 2.757 16 HB3 ALA 2 3HB ALA 2 1.323 12.337 2.549 17 H THR 3 H THR 3 0.483 11.905 6.747 18 HA THR 3 HA THR 3 0.833 9.078 7.384 19 HB THR 3 HB THR 3 0.305 9.767 9.711 20 HG1 THR 3 1HG THR 3 -0.646 11.891 8.577 21 HG21 THR 3 3HG2 THR 3 2.537 11.320 8.391 22 HG22 THR 3 1HG2 THR 3 2.639 9.655 8.959 23 HG23 THR 3 2HG2 THR 3 2.417 10.972 10.114 24 H ASN 4 H ASN 4 -0.739 7.773 7.794 25 HA ASN 4 HA ASN 4 -2.761 6.788 7.730 26 HB2 ASN 4 2HB ASN 4 -3.068 8.089 9.856 27 HB3 ASN 4 1HB ASN 4 -3.787 9.381 8.911 28 HD21 ASN 4 1HD2 ASN 4 -4.911 7.865 11.103 29 HD22 ASN 4 2HD2 ASN 4 -6.353 7.122 10.495 30 H ILE 5 H ILE 5 -2.573 6.795 5.536 31 HA ILE 5 HA ILE 5 -4.315 8.616 4.065 32 HB ILE 5 HB ILE 5 -2.424 6.486 3.065 33 HG12 ILE 5 2HG1 ILE 5 -2.098 9.475 3.335 34 HG13 ILE 5 1HG1 ILE 5 -1.169 8.176 4.085 35 HG21 ILE 5 1HG2 ILE 5 -4.237 6.883 1.513 36 HG22 ILE 5 2HG2 ILE 5 -2.710 7.481 0.865 37 HG23 ILE 5 3HG2 ILE 5 -3.904 8.626 1.510 38 HD11 ILE 5 3HD1 ILE 5 -0.285 7.510 1.999 39 HD12 ILE 5 1HD1 ILE 5 0.011 9.243 2.246 40 HD13 ILE 5 2HD1 ILE 5 -1.278 8.700 1.162 41 H VAL 6 H VAL 6 -5.961 7.853 2.847 42 HA VAL 6 HA VAL 6 -7.047 5.310 3.663 43 HB VAL 6 HB VAL 6 -8.206 7.528 1.980 44 HG11 VAL 6 1HG1 VAL 6 -9.117 5.410 1.293 45 HG12 VAL 6 2HG1 VAL 6 -10.357 6.346 2.136 46 HG13 VAL 6 3HG1 VAL 6 -9.539 5.000 2.956 47 HG21 VAL 6 3HG2 VAL 6 -8.798 6.679 4.805 48 HG22 VAL 6 1HG2 VAL 6 -9.671 7.923 3.905 49 HG23 VAL 6 2HG2 VAL 6 -7.965 8.152 4.299 50 H GLY 7 H GLY 7 -6.968 3.633 2.377 51 HA2 GLY 7 2HA GLY 7 -7.313 3.964 -0.374 52 HA3 GLY 7 1HA GLY 7 -5.749 3.310 -0.069 53 H LYS 8 H LYS 8 -7.461 1.968 -1.472 54 HA LYS 8 HA LYS 8 -8.255 -0.251 0.244 55 HB2 LYS 8 2HB LYS 8 -10.163 0.710 -0.802 56 HB3 LYS 8 1HB LYS 8 -9.449 0.791 -2.376 57 HG2 LYS 8 2HG LYS 8 -9.379 -1.686 -2.353 58 HG3 LYS 8 1HG LYS 8 -10.326 -1.619 -0.859 59 HD2 LYS 8 2HD LYS 8 -11.926 -1.811 -2.664 60 HD3 LYS 8 1HD LYS 8 -11.872 -0.149 -2.019 61 HE2 LYS 8 2HE LYS 8 -10.638 0.668 -3.877 62 HE3 LYS 8 1HE LYS 8 -10.378 -0.962 -4.499 63 HZ1 LYS 8 3HZ LYS 8 -12.707 -1.131 -4.949 64 HZ2 LYS 8 1HZ LYS 8 -12.099 0.261 -5.686 65 HZ3 LYS 8 2HZ LYS 8 -13.012 0.386 -4.267 66 H VAL 9 H VAL 9 -7.349 -2.162 -0.239 67 HA VAL 9 HA VAL 9 -4.969 -2.263 -1.731 68 HB VAL 9 HB VAL 9 -6.708 -4.596 -0.834 69 HG11 VAL 9 1HG1 VAL 9 -5.150 -5.348 -2.499 70 HG12 VAL 9 2HG1 VAL 9 -4.625 -5.938 -0.913 71 HG13 VAL 9 3HG1 VAL 9 -3.799 -4.574 -1.661 72 HG21 VAL 9 3HG2 VAL 9 -4.370 -3.280 0.540 73 HG22 VAL 9 1HG2 VAL 9 -5.207 -4.728 1.102 74 HG23 VAL 9 2HG2 VAL 9 -6.061 -3.185 1.034 75 H LYS 10 H LYS 10 -4.905 -1.894 -3.766 76 HA LYS 10 HA LYS 10 -7.041 -2.254 -5.611 77 HB2 LYS 10 2HB LYS 10 -5.236 -0.499 -5.588 78 HB3 LYS 10 1HB LYS 10 -4.106 -1.733 -6.067 79 HG2 LYS 10 2HG LYS 10 -5.413 -1.985 -8.190 80 HG3 LYS 10 1HG LYS 10 -6.381 -0.591 -7.674 81 HD2 LYS 10 2HD LYS 10 -4.279 0.719 -7.401 82 HD3 LYS 10 1HD LYS 10 -3.409 -0.669 -8.041 83 HE2 LYS 10 2HE LYS 10 -3.601 0.907 -9.676 84 HE3 LYS 10 1HE LYS 10 -4.680 -0.426 -10.148 85 HZ1 LYS 10 3HZ LYS 10 -5.343 2.272 -9.108 86 HZ2 LYS 10 1HZ LYS 10 -6.502 1.071 -9.098 87 HZ3 LYS 10 2HZ LYS 10 -5.864 1.622 -10.564 88 H TRP 11 H TRP 11 -3.859 -3.772 -5.090 89 HA TRP 11 HA TRP 11 -4.716 -6.378 -5.474 90 HB2 TRP 11 2HB TRP 11 -3.446 -6.974 -7.505 91 HB3 TRP 11 1HB TRP 11 -4.784 -5.932 -7.902 92 HD1 TRP 11 HD TRP 11 -4.098 -3.452 -8.804 93 HE1 TRP 11 1HE TRP 11 -1.924 -2.601 -9.853 94 HE3 TRP 11 3HE TRP 11 -1.048 -7.199 -7.368 95 HZ2 TRP 11 2HZ TRP 11 0.786 -3.434 -10.041 96 HZ3 TRP 11 3HZ TRP 11 1.364 -7.131 -8.011 97 HH2 TRP 11 HH TRP 11 2.243 -5.276 -9.322 98 H TYR 12 H TYR 12 -2.782 -7.861 -5.495 99 HA TYR 12 HA TYR 12 -0.263 -6.744 -4.780 100 HB2 TYR 12 2HB TYR 12 -1.421 -6.322 -2.651 101 HB3 TYR 12 1HB TYR 12 -1.908 -8.009 -2.569 102 HD1 TYR 12 2HD TYR 12 1.088 -5.795 -2.561 103 HD2 TYR 12 1HD TYR 12 -0.521 -9.589 -1.507 104 HE1 TYR 12 2HE TYR 12 3.132 -6.303 -1.289 105 HE2 TYR 12 1HE TYR 12 1.512 -10.109 -0.240 106 HH TYR 12 HH TYR 12 3.785 -7.752 0.571 107 H ASN 13 H ASN 13 1.295 -8.154 -5.236 108 HA ASN 13 HA ASN 13 0.599 -10.993 -5.214 109 HB2 ASN 13 2HB ASN 13 2.307 -9.571 -7.282 110 HB3 ASN 13 1HB ASN 13 2.253 -11.315 -7.102 111 HD21 ASN 13 1HD2 ASN 13 0.359 -12.422 -7.728 112 HD22 ASN 13 2HD2 ASN 13 -0.814 -11.683 -8.735 113 H SER 14 H SER 14 1.577 -11.796 -3.560 114 HA SER 14 HA SER 14 3.745 -10.729 -2.190 115 HB2 SER 14 2HB SER 14 2.822 -13.606 -2.301 116 HB3 SER 14 1HB SER 14 3.801 -12.892 -1.020 117 HG SER 14 HG SER 14 2.078 -12.070 -0.172 118 H THR 15 H THR 15 3.626 -12.997 -4.856 119 HA THR 15 HA THR 15 6.243 -13.949 -4.827 120 HB THR 15 HB THR 15 4.408 -13.493 -7.197 121 HG1 THR 15 1HG THR 15 4.763 -15.856 -5.672 122 HG21 THR 15 3HG2 THR 15 6.722 -14.033 -7.854 123 HG22 THR 15 1HG2 THR 15 5.628 -15.367 -8.223 124 HG23 THR 15 2HG2 THR 15 6.687 -15.456 -6.815 125 H LYS 16 H LYS 16 4.901 -10.920 -6.078 126 HA LYS 16 HA LYS 16 7.468 -10.240 -7.336 127 HB2 LYS 16 2HB LYS 16 4.817 -8.784 -7.390 128 HB3 LYS 16 1HB LYS 16 6.254 -8.292 -8.256 129 HG2 LYS 16 2HG LYS 16 6.191 -10.328 -9.548 130 HG3 LYS 16 1HG LYS 16 4.733 -10.817 -8.684 131 HD2 LYS 16 2HD LYS 16 4.245 -9.806 -10.842 132 HD3 LYS 16 1HD LYS 16 3.537 -8.866 -9.524 133 HE2 LYS 16 2HE LYS 16 5.388 -7.267 -9.707 134 HE3 LYS 16 1HE LYS 16 6.119 -8.239 -10.985 135 HZ1 LYS 16 3HZ LYS 16 3.472 -6.878 -11.148 136 HZ2 LYS 16 1HZ LYS 16 4.194 -7.758 -12.378 137 HZ3 LYS 16 2HZ LYS 16 4.898 -6.331 -11.834 138 H ASN 17 H ASN 17 5.906 -9.895 -4.423 139 HA ASN 17 HA ASN 17 6.172 -8.634 -2.525 140 HB2 ASN 17 2HB ASN 17 8.742 -7.711 -3.849 141 HB3 ASN 17 1HB ASN 17 8.332 -7.482 -2.163 142 HD21 ASN 17 1HD2 ASN 17 7.180 -10.217 -1.920 143 HD22 ASN 17 2HD2 ASN 17 8.540 -11.247 -1.903 144 H PHE 18 H PHE 18 4.944 -7.530 -5.017 145 HA PHE 18 HA PHE 18 4.814 -4.760 -4.166 146 HB2 PHE 18 2HB PHE 18 5.315 -5.664 -7.003 147 HB3 PHE 18 1HB PHE 18 4.587 -4.117 -6.637 148 HD1 PHE 18 1HD PHE 18 5.916 -2.413 -5.398 149 HD2 PHE 18 2HD PHE 18 7.653 -6.002 -6.870 150 HE1 PHE 18 1HE PHE 18 8.150 -1.389 -5.244 151 HE2 PHE 18 2HE PHE 18 9.888 -4.990 -6.712 152 HZ PHE 18 HZ PHE 18 10.135 -2.675 -5.897 153 H GLY 19 H GLY 19 2.975 -3.673 -5.027 154 HA2 GLY 19 2HA GLY 19 0.864 -4.953 -6.320 155 HA3 GLY 19 1HA GLY 19 0.597 -4.892 -4.569 156 H PHE 20 H PHE 20 -1.162 -3.441 -5.498 157 HA PHE 20 HA PHE 20 -0.119 -0.758 -5.211 158 HB2 PHE 20 2HB PHE 20 -1.721 -1.700 -7.526 159 HB3 PHE 20 1HB PHE 20 -2.016 -0.091 -6.862 160 HD1 PHE 20 1HD PHE 20 0.636 -2.262 -8.309 161 HD2 PHE 20 2HD PHE 20 -0.655 1.696 -7.487 162 HE1 PHE 20 1HE PHE 20 2.491 -1.380 -9.669 163 HE2 PHE 20 2HE PHE 20 1.193 2.592 -8.834 164 HZ PHE 20 HZ PHE 20 2.771 1.055 -9.930 165 H ILE 21 H ILE 21 -1.762 0.823 -4.804 166 HA ILE 21 HA ILE 21 -4.132 -0.199 -3.486 167 HB ILE 21 HB ILE 21 -2.142 1.679 -2.093 168 HG12 ILE 21 2HG1 ILE 21 -2.887 -1.177 -1.431 169 HG13 ILE 21 1HG1 ILE 21 -1.370 -0.677 -2.140 170 HG21 ILE 21 1HG2 ILE 21 -4.413 2.234 -1.568 171 HG22 ILE 21 2HG2 ILE 21 -3.611 1.486 -0.181 172 HG23 ILE 21 3HG2 ILE 21 -4.749 0.553 -1.149 173 HD11 ILE 21 3HD1 ILE 21 -2.359 0.167 0.575 174 HD12 ILE 21 1HD1 ILE 21 -0.813 0.599 -0.144 175 HD13 ILE 21 2HD1 ILE 21 -1.154 -1.084 0.270 176 H GLU 22 H GLU 22 -5.797 1.152 -3.821 177 HA GLU 22 HA GLU 22 -5.312 3.925 -4.654 178 HB2 GLU 22 2HB GLU 22 -7.043 3.757 -6.384 179 HB3 GLU 22 1HB GLU 22 -5.832 2.528 -6.721 180 HG2 GLU 22 2HG GLU 22 -7.297 0.821 -5.680 181 HG3 GLU 22 1HG GLU 22 -8.440 2.118 -5.331 182 H GLN 23 H GLN 23 -6.913 5.240 -3.658 183 HA GLN 23 HA GLN 23 -8.494 3.709 -1.788 184 HB2 GLN 23 2HB GLN 23 -9.425 5.766 -0.855 185 HB3 GLN 23 1HB GLN 23 -7.680 5.843 -0.875 186 HG2 GLN 23 2HG GLN 23 -7.857 7.240 -2.903 187 HG3 GLN 23 1HG GLN 23 -9.583 7.180 -2.727 188 HE21 GLN 23 1HE2 GLN 23 -6.681 8.275 -1.042 189 HE22 GLN 23 2HE2 GLN 23 -7.481 9.455 -0.085 190 H ASP 24 H ASP 24 -10.474 3.510 -1.636 191 HA ASP 24 HA ASP 24 -11.842 2.797 -3.966 192 HB2 ASP 24 2HB ASP 24 -12.313 2.012 -1.707 193 HB3 ASP 24 1HB ASP 24 -13.084 3.529 -1.346 194 H ASN 25 H ASN 25 -11.537 5.822 -2.578 195 HA ASN 25 HA ASN 25 -13.885 7.041 -3.702 196 HB2 ASN 25 2HB ASN 25 -11.400 8.310 -2.556 197 HB3 ASN 25 1HB ASN 25 -12.901 9.151 -2.922 198 HD21 ASN 25 1HD2 ASN 25 -14.707 8.658 -1.704 199 HD22 ASN 25 2HD2 ASN 25 -14.585 8.006 -0.103 200 H GLY 26 H GLY 26 -11.167 5.883 -5.155 201 HA2 GLY 26 2HA GLY 26 -10.403 6.105 -7.309 202 HA3 GLY 26 1HA GLY 26 -11.627 7.341 -7.582 203 H GLY 27 H GLY 27 -9.079 7.191 -5.203 204 HA2 GLY 27 2HA GLY 27 -8.368 9.933 -5.867 205 HA3 GLY 27 1HA GLY 27 -7.806 9.039 -4.467 206 H LYS 28 H LYS 28 -5.695 9.034 -4.549 207 HA LYS 28 HA LYS 28 -4.269 9.015 -7.046 208 HB2 LYS 28 2HB LYS 28 -2.308 9.360 -5.670 209 HB3 LYS 28 1HB LYS 28 -3.578 10.535 -5.367 210 HG2 LYS 28 2HG LYS 28 -4.204 9.294 -3.346 211 HG3 LYS 28 1HG LYS 28 -2.856 8.184 -3.644 212 HD2 LYS 28 2HD LYS 28 -1.353 10.035 -3.663 213 HD3 LYS 28 1HD LYS 28 -2.701 11.124 -3.342 214 HE2 LYS 28 2HE LYS 28 -3.127 9.964 -1.189 215 HE3 LYS 28 1HE LYS 28 -1.750 8.910 -1.491 216 HZ1 LYS 28 3HZ LYS 28 -1.167 10.726 0.015 217 HZ2 LYS 28 1HZ LYS 28 -1.655 11.844 -1.103 218 HZ3 LYS 28 2HZ LYS 28 -0.305 10.902 -1.422 219 H ASP 29 H ASP 29 -2.653 7.500 -7.595 220 HA ASP 29 HA ASP 29 -3.063 4.831 -6.460 221 HB2 ASP 29 2HB ASP 29 -1.772 5.701 -9.052 222 HB3 ASP 29 1HB ASP 29 -1.783 4.042 -8.474 223 H VAL 30 H VAL 30 -1.560 3.900 -5.317 224 HA VAL 30 HA VAL 30 1.204 4.739 -5.544 225 HB VAL 30 HB VAL 30 0.504 6.026 -3.631 226 HG11 VAL 30 1HG1 VAL 30 -1.611 4.873 -3.181 227 HG12 VAL 30 2HG1 VAL 30 -0.624 5.101 -1.725 228 HG13 VAL 30 3HG1 VAL 30 -0.707 3.509 -2.494 229 HG21 VAL 30 3HG2 VAL 30 1.807 3.489 -2.671 230 HG22 VAL 30 1HG2 VAL 30 1.687 4.969 -1.737 231 HG23 VAL 30 2HG2 VAL 30 2.614 4.952 -3.234 232 H PHE 31 H PHE 31 2.679 3.032 -5.163 233 HA PHE 31 HA PHE 31 1.308 0.498 -5.154 234 HB2 PHE 31 2HB PHE 31 3.439 -0.540 -5.867 235 HB3 PHE 31 1HB PHE 31 2.796 0.632 -7.011 236 HD1 PHE 31 1HD PHE 31 5.469 -0.175 -4.643 237 HD2 PHE 31 2HD PHE 31 4.031 2.629 -7.492 238 HE1 PHE 31 1HE PHE 31 7.694 0.865 -4.732 239 HE2 PHE 31 2HE PHE 31 6.222 3.676 -7.589 240 HZ PHE 31 HZ PHE 31 8.084 2.793 -6.201 241 H VAL 32 H VAL 32 1.920 -1.213 -3.915 242 HA VAL 32 HA VAL 32 3.069 -0.326 -1.398 243 HB VAL 32 HB VAL 32 0.750 -1.082 -1.153 244 HG11 VAL 32 1HG1 VAL 32 1.666 -3.718 -2.259 245 HG12 VAL 32 2HG1 VAL 32 0.559 -2.585 -3.032 246 HG13 VAL 32 3HG1 VAL 32 0.089 -3.400 -1.540 247 HG21 VAL 32 3HG2 VAL 32 1.075 -2.872 0.493 248 HG22 VAL 32 1HG2 VAL 32 2.165 -1.495 0.747 249 HG23 VAL 32 2HG2 VAL 32 2.752 -2.998 0.011 250 H HIS 33 H HIS 33 4.880 -1.175 -0.741 251 HA HIS 33 HA HIS 33 5.919 -3.485 -2.238 252 HB2 HIS 33 2HB HIS 33 7.229 -1.399 -2.545 253 HB3 HIS 33 1HB HIS 33 7.476 -1.327 -0.798 254 HD1 HIS 33 1HD HIS 33 7.923 -4.129 -3.356 255 HD2 HIS 33 2HD HIS 33 9.913 -2.262 -0.248 256 HE1 HIS 33 1HE HIS 33 9.961 -5.421 -3.034 257 HE2 HIS 33 2HE HIS 33 11.117 -4.396 -1.074 258 H LYS 34 H LYS 34 7.046 -5.056 -1.093 259 HA LYS 34 HA LYS 34 5.590 -5.802 1.172 260 HB2 LYS 34 2HB LYS 34 6.376 -7.459 -0.375 261 HB3 LYS 34 1HB LYS 34 8.045 -7.069 -0.012 262 HG2 LYS 34 2HG LYS 34 7.807 -7.923 2.233 263 HG3 LYS 34 1HG LYS 34 6.081 -8.178 1.975 264 HD2 LYS 34 2HD LYS 34 6.483 -9.685 0.306 265 HD3 LYS 34 1HD LYS 34 8.243 -9.475 0.380 266 HE2 LYS 34 2HE LYS 34 6.451 -10.566 2.562 267 HE3 LYS 34 1HE LYS 34 7.555 -11.539 1.592 268 HZ1 LYS 34 3HZ LYS 34 9.390 -10.214 2.560 269 HZ2 LYS 34 1HZ LYS 34 8.522 -11.100 3.680 270 HZ3 LYS 34 2HZ LYS 34 8.281 -9.460 3.594 271 H SER 35 H SER 35 8.494 -4.016 0.984 272 HA SER 35 HA SER 35 9.535 -4.486 3.542 273 HB2 SER 35 2HB SER 35 10.680 -3.048 1.863 274 HB3 SER 35 1HB SER 35 9.429 -1.824 2.075 275 HG SER 35 HG SER 35 11.114 -2.769 4.162 276 H ALA 36 H ALA 36 6.631 -2.762 2.624 277 HA ALA 36 HA ALA 36 6.211 -1.618 5.203 278 HB1 ALA 36 1HB ALA 36 4.235 -2.191 3.043 279 HB2 ALA 36 2HB ALA 36 5.236 -0.731 3.163 280 HB3 ALA 36 3HB ALA 36 4.040 -1.111 4.436 281 H VAL 37 H VAL 37 5.257 -4.570 3.542 282 HA VAL 37 HA VAL 37 3.604 -5.505 5.662 283 HB VAL 37 HB VAL 37 4.974 -7.196 3.458 284 HG11 VAL 37 1HG1 VAL 37 2.778 -7.981 5.376 285 HG12 VAL 37 2HG1 VAL 37 4.433 -8.489 5.568 286 HG13 VAL 37 3HG1 VAL 37 3.504 -8.998 4.149 287 HG21 VAL 37 3HG2 VAL 37 3.272 -5.579 2.643 288 HG22 VAL 37 1HG2 VAL 37 2.118 -6.258 3.792 289 HG23 VAL 37 2HG2 VAL 37 2.738 -7.257 2.487 290 H ASP 38 H ASP 38 6.962 -5.761 4.839 291 HA ASP 38 HA ASP 38 7.742 -7.561 6.837 292 HB2 ASP 38 2HB ASP 38 9.201 -7.014 4.965 293 HB3 ASP 38 1HB ASP 38 9.315 -5.345 5.518 294 H ALA 39 H ALA 39 7.160 -4.117 6.866 295 HA ALA 39 HA ALA 39 8.409 -3.419 9.254 296 HB1 ALA 39 1HB ALA 39 7.474 -1.799 7.650 297 HB2 ALA 39 2HB ALA 39 6.953 -1.489 9.304 298 HB3 ALA 39 3HB ALA 39 5.852 -2.260 8.164 299 H ALA 40 H ALA 40 5.380 -5.077 8.782 300 HA ALA 40 HA ALA 40 5.078 -5.159 11.720 301 HB1 ALA 40 1HB ALA 40 2.681 -4.923 11.538 302 HB2 ALA 40 2HB ALA 40 2.807 -4.837 9.779 303 HB3 ALA 40 3HB ALA 40 3.494 -3.554 10.774 304 H GLY 41 H GLY 41 4.919 -6.884 8.757 305 HA2 GLY 41 2HA GLY 41 4.792 -9.098 8.340 306 HA3 GLY 41 1HA GLY 41 4.522 -9.453 10.030 307 H LEU 42 H LEU 42 2.951 -7.604 7.526 308 HA LEU 42 HA LEU 42 0.346 -8.134 8.548 309 HB2 LEU 42 2HB LEU 42 0.847 -5.999 7.535 310 HB3 LEU 42 1HB LEU 42 1.277 -6.762 6.020 311 HG LEU 42 HG LEU 42 -1.013 -7.359 5.702 312 HD11 LEU 42 1HD1 LEU 42 -1.465 -5.907 8.305 313 HD12 LEU 42 2HD1 LEU 42 -1.660 -7.638 8.009 314 HD13 LEU 42 3HD1 LEU 42 -2.745 -6.486 7.213 315 HD21 LEU 42 3HD2 LEU 42 -1.906 -5.100 5.403 316 HD22 LEU 42 1HD2 LEU 42 -0.230 -5.241 4.870 317 HD23 LEU 42 2HD2 LEU 42 -0.605 -4.473 6.413 318 H HIS 43 H HIS 43 -0.959 -9.733 8.064 319 HA HIS 43 HA HIS 43 -0.259 -11.574 5.882 320 HB2 HIS 43 2HB HIS 43 -1.984 -11.981 8.323 321 HB3 HIS 43 1HB HIS 43 -1.854 -13.134 7.014 322 HD1 HIS 43 1HD HIS 43 0.064 -14.731 7.101 323 HD2 HIS 43 2HD HIS 43 0.389 -11.687 9.904 324 HE1 HIS 43 1HE HIS 43 1.936 -15.411 8.614 325 HE2 HIS 43 2HE HIS 43 1.789 -13.767 10.489 326 H SER 44 H SER 44 -2.246 -9.003 6.317 327 HA SER 44 HA SER 44 -4.347 -10.313 4.751 328 HB2 SER 44 2HB SER 44 -4.570 -8.144 6.591 329 HB3 SER 44 1HB SER 44 -5.956 -8.823 5.731 330 HG SER 44 HG SER 44 -5.121 -10.916 6.810 331 H LEU 45 H LEU 45 -3.033 -9.513 3.129 332 HA LEU 45 HA LEU 45 -4.318 -7.025 2.175 333 HB2 LEU 45 2HB LEU 45 -1.889 -8.116 0.850 334 HB3 LEU 45 1HB LEU 45 -2.720 -6.697 0.484 335 HG LEU 45 HG LEU 45 -1.285 -6.908 3.129 336 HD11 LEU 45 1HD1 LEU 45 -0.472 -5.524 0.570 337 HD12 LEU 45 2HD1 LEU 45 0.309 -6.944 1.262 338 HD13 LEU 45 3HD1 LEU 45 0.361 -5.404 2.119 339 HD21 LEU 45 3HD2 LEU 45 -2.545 -4.603 1.638 340 HD22 LEU 45 1HD2 LEU 45 -1.674 -4.489 3.166 341 HD23 LEU 45 2HD2 LEU 45 -3.194 -5.376 3.081 342 H GLU 46 H GLU 46 -5.748 -7.416 1.010 343 HA GLU 46 HA GLU 46 -5.691 -9.252 -1.176 344 HB2 GLU 46 2HB GLU 46 -7.795 -10.404 -0.515 345 HB3 GLU 46 1HB GLU 46 -6.459 -10.780 0.558 346 HG2 GLU 46 2HG GLU 46 -7.322 -9.214 2.190 347 HG3 GLU 46 1HG GLU 46 -8.649 -8.803 1.103 348 H GLU 47 H GLU 47 -7.579 -8.935 -2.508 349 HA GLU 47 HA GLU 47 -7.859 -6.174 -2.848 350 HB2 GLU 47 2HB GLU 47 -9.266 -6.653 -4.743 351 HB3 GLU 47 1HB GLU 47 -7.840 -7.668 -4.759 352 HG2 GLU 47 2HG GLU 47 -10.600 -8.481 -3.922 353 HG3 GLU 47 1HG GLU 47 -9.849 -8.788 -5.481 354 H GLY 48 H GLY 48 -9.611 -4.935 -2.876 355 HA2 GLY 48 2HA GLY 48 -11.732 -4.151 -2.188 356 HA3 GLY 48 1HA GLY 48 -12.048 -5.750 -1.538 357 H GLN 49 H GLN 49 -9.315 -5.411 -0.016 358 HA GLN 49 HA GLN 49 -10.503 -4.554 2.413 359 HB2 GLN 49 2HB GLN 49 -7.698 -5.224 1.611 360 HB3 GLN 49 1HB GLN 49 -8.104 -4.696 3.227 361 HG2 GLN 49 2HG GLN 49 -9.550 -6.919 1.994 362 HG3 GLN 49 1HG GLN 49 -7.924 -7.250 2.636 363 HE21 GLN 49 1HE2 GLN 49 -10.350 -5.057 4.037 364 HE22 GLN 49 2HE2 GLN 49 -10.634 -5.989 5.431 365 H ASP 50 H ASP 50 -10.453 -2.658 3.369 366 HA ASP 50 HA ASP 50 -9.125 -0.445 2.037 367 HB2 ASP 50 2HB ASP 50 -10.792 -0.467 4.571 368 HB3 ASP 50 1HB ASP 50 -10.065 0.973 3.886 369 H VAL 51 H VAL 51 -7.344 0.527 2.763 370 HA VAL 51 HA VAL 51 -6.182 -0.593 5.149 371 HB VAL 51 HB VAL 51 -5.422 -1.878 3.233 372 HG11 VAL 51 1HG1 VAL 51 -5.408 -0.231 1.458 373 HG12 VAL 51 2HG1 VAL 51 -3.810 -0.931 1.597 374 HG13 VAL 51 3HG1 VAL 51 -4.130 0.666 2.267 375 HG21 VAL 51 3HG2 VAL 51 -3.281 -0.292 4.617 376 HG22 VAL 51 1HG2 VAL 51 -3.016 -1.839 3.781 377 HG23 VAL 51 2HG2 VAL 51 -4.102 -1.739 5.192 378 H ILE 52 H ILE 52 -4.767 0.618 6.113 379 HA ILE 52 HA ILE 52 -4.813 3.510 5.524 380 HB ILE 52 HB ILE 52 -4.149 2.121 8.137 381 HG12 ILE 52 2HG1 ILE 52 -6.805 3.372 7.390 382 HG13 ILE 52 1HG1 ILE 52 -6.502 1.638 7.402 383 HG21 ILE 52 1HG2 ILE 52 -4.577 4.351 9.108 384 HG22 ILE 52 2HG2 ILE 52 -4.909 4.988 7.507 385 HG23 ILE 52 3HG2 ILE 52 -3.296 4.411 7.902 386 HD11 ILE 52 3HD1 ILE 52 -5.996 1.754 9.783 387 HD12 ILE 52 1HD1 ILE 52 -7.632 2.301 9.426 388 HD13 ILE 52 2HD1 ILE 52 -6.357 3.482 9.781 389 H PHE 53 H PHE 53 -2.834 4.346 5.025 390 HA PHE 53 HA PHE 53 -0.458 3.004 6.061 391 HB2 PHE 53 2HB PHE 53 0.635 3.130 3.836 392 HB3 PHE 53 1HB PHE 53 -0.578 1.888 3.894 393 HD1 PHE 53 1HD PHE 53 -2.789 2.348 2.799 394 HD2 PHE 53 2HD PHE 53 0.561 4.932 2.335 395 HE1 PHE 53 1HE PHE 53 -3.804 3.304 0.804 396 HE2 PHE 53 2HE PHE 53 -0.448 5.882 0.333 397 HZ PHE 53 HZ PHE 53 -2.625 5.073 -0.449 398 H ASP 54 H ASP 54 1.510 4.258 5.172 399 HA ASP 54 HA ASP 54 0.894 7.112 5.172 400 HB2 ASP 54 2HB ASP 54 3.351 5.742 6.339 401 HB3 ASP 54 1HB ASP 54 3.141 7.477 6.190 402 H LEU 55 H LEU 55 2.530 8.280 3.889 403 HA LEU 55 HA LEU 55 3.609 6.483 1.872 404 HB2 LEU 55 2HB LEU 55 1.530 7.192 1.009 405 HB3 LEU 55 1HB LEU 55 1.913 8.861 1.374 406 HG LEU 55 HG LEU 55 3.449 8.977 -0.496 407 HD11 LEU 55 1HD1 LEU 55 4.429 6.776 -0.269 408 HD12 LEU 55 2HD1 LEU 55 3.861 7.015 -1.913 409 HD13 LEU 55 3HD1 LEU 55 2.929 6.031 -0.773 410 HD21 LEU 55 3HD2 LEU 55 1.954 8.511 -2.343 411 HD22 LEU 55 1HD2 LEU 55 1.038 9.199 -1.000 412 HD23 LEU 55 2HD2 LEU 55 0.971 7.466 -1.325 413 H GLU 56 H GLU 56 5.429 6.761 1.229 414 HA GLU 56 HA GLU 56 6.822 9.304 1.439 415 HB2 GLU 56 2HB GLU 56 7.785 6.584 2.232 416 HB3 GLU 56 1HB GLU 56 8.922 7.825 1.722 417 HG2 GLU 56 2HG GLU 56 6.885 8.309 3.801 418 HG3 GLU 56 1HG GLU 56 8.484 7.618 4.203 419 H GLU 57 H GLU 57 8.063 9.803 -0.134 420 HA GLU 57 HA GLU 57 7.535 8.292 -2.579 421 HB2 GLU 57 2HB GLU 57 8.183 11.202 -2.212 422 HB3 GLU 57 1HB GLU 57 7.979 10.419 -3.777 423 HG2 GLU 57 2HG GLU 57 5.687 9.851 -3.223 424 HG3 GLU 57 1HG GLU 57 5.884 10.558 -1.622 425 H LYS 58 H LYS 58 9.028 7.797 -3.995 426 HA LYS 58 HA LYS 58 11.747 7.519 -3.002 427 HB2 LYS 58 2HB LYS 58 10.357 5.612 -4.004 428 HB3 LYS 58 1HB LYS 58 10.408 6.472 -5.505 429 HG2 LYS 58 2HG LYS 58 12.000 4.730 -5.691 430 HG3 LYS 58 1HG LYS 58 12.907 6.219 -5.511 431 HD2 LYS 58 2HD LYS 58 12.357 4.256 -3.276 432 HD3 LYS 58 1HD LYS 58 13.831 4.246 -4.237 433 HE2 LYS 58 2HE LYS 58 14.223 6.623 -3.344 434 HE3 LYS 58 1HE LYS 58 12.862 6.310 -2.267 435 HZ1 LYS 58 3HZ LYS 58 15.341 4.708 -2.348 436 HZ2 LYS 58 1HZ LYS 58 14.035 4.440 -1.326 437 HZ3 LYS 58 2HZ LYS 58 14.933 5.835 -1.164 438 H GLN 59 H GLN 59 10.735 10.118 -3.783 439 HA GLN 59 HA GLN 59 11.189 11.950 -4.935 440 HB2 GLN 59 2HB GLN 59 13.751 10.458 -5.543 441 HB3 GLN 59 1HB GLN 59 13.479 12.108 -6.074 442 HG2 GLN 59 2HG GLN 59 14.802 12.191 -4.091 443 HG3 GLN 59 1HG GLN 59 13.197 12.767 -3.677 444 HE21 GLN 59 1HE2 GLN 59 13.495 12.371 -1.521 445 HE22 GLN 59 2HE2 GLN 59 13.561 10.794 -0.828 446 H GLY 60 H GLY 60 9.765 9.778 -6.216 447 HA2 GLY 60 2HA GLY 60 9.179 10.909 -8.665 448 HA3 GLY 60 1HA GLY 60 10.347 9.624 -8.969 449 H LYS 61 H LYS 61 9.765 7.754 -7.248 450 HA LYS 61 HA LYS 61 7.099 6.930 -8.008 451 HB2 LYS 61 2HB LYS 61 9.348 5.384 -6.722 452 HB3 LYS 61 1HB LYS 61 7.762 4.715 -7.046 453 HG2 LYS 61 2HG LYS 61 9.687 5.790 -9.090 454 HG3 LYS 61 1HG LYS 61 9.328 4.088 -8.774 455 HD2 LYS 61 2HD LYS 61 7.004 4.445 -9.440 456 HD3 LYS 61 1HD LYS 61 7.335 6.154 -9.710 457 HE2 LYS 61 2HE LYS 61 8.965 5.566 -11.370 458 HE3 LYS 61 1HE LYS 61 8.575 3.856 -11.150 459 HZ1 LYS 61 3HZ LYS 61 6.644 5.946 -12.060 460 HZ2 LYS 61 1HZ LYS 61 6.325 4.292 -11.852 461 HZ3 LYS 61 2HZ LYS 61 7.386 4.789 -13.049 462 H ALA 62 H ALA 62 5.793 5.761 -6.340 463 HA ALA 62 HA ALA 62 6.022 7.023 -3.701 464 HB1 ALA 62 1HB ALA 62 4.391 8.285 -5.023 465 HB2 ALA 62 2HB ALA 62 3.551 7.396 -3.754 466 HB3 ALA 62 3HB ALA 62 3.526 6.799 -5.401 467 H TYR 63 H TYR 63 6.105 5.416 -2.203 468 HA TYR 63 HA TYR 63 4.533 3.037 -2.784 469 HB2 TYR 63 2HB TYR 63 6.241 1.643 -1.645 470 HB3 TYR 63 1HB TYR 63 6.754 2.340 -3.166 471 HD1 TYR 63 2HD TYR 63 8.464 4.187 -3.136 472 HD2 TYR 63 1HD TYR 63 7.321 2.144 0.415 473 HE1 TYR 63 2HE TYR 63 10.473 5.043 -1.991 474 HE2 TYR 63 1HE TYR 63 9.321 2.988 1.552 475 HH TYR 63 HH TYR 63 11.491 3.796 0.991 476 H ALA 64 H ALA 64 3.363 2.254 -1.325 477 HA ALA 64 HA ALA 64 2.695 3.770 1.080 478 HB1 ALA 64 1HB ALA 64 0.961 2.101 1.363 479 HB2 ALA 64 2HB ALA 64 1.654 1.111 0.077 480 HB3 ALA 64 3HB ALA 64 0.959 2.691 -0.293 481 H VAL 65 H VAL 65 3.171 3.456 3.000 482 HA VAL 65 HA VAL 65 4.566 1.016 3.844 483 HB VAL 65 HB VAL 65 6.157 2.314 5.243 484 HG11 VAL 65 1HG1 VAL 65 6.915 1.525 3.088 485 HG12 VAL 65 2HG1 VAL 65 7.652 3.087 3.458 486 HG13 VAL 65 3HG1 VAL 65 6.309 2.990 2.316 487 HG21 VAL 65 3HG2 VAL 65 5.083 4.729 3.778 488 HG22 VAL 65 1HG2 VAL 65 6.489 4.724 4.842 489 HG23 VAL 65 2HG2 VAL 65 4.888 4.381 5.496 490 H ASN 66 H ASN 66 4.748 0.997 6.362 491 HA ASN 66 HA ASN 66 3.611 0.679 8.223 492 HB2 ASN 66 2HB ASN 66 2.750 3.522 7.693 493 HB3 ASN 66 1HB ASN 66 2.517 2.649 9.200 494 HD21 ASN 66 1HD2 ASN 66 3.990 5.070 8.704 495 HD22 ASN 66 2HD2 ASN 66 5.631 4.777 9.185 496 H LEU 67 H LEU 67 2.369 -0.838 6.814 497 HA LEU 67 HA LEU 67 -0.257 0.070 6.121 498 HB2 LEU 67 2HB LEU 67 0.876 -2.679 5.945 499 HB3 LEU 67 1HB LEU 67 -0.679 -2.168 5.336 500 HG LEU 67 HG LEU 67 2.052 -1.517 4.271 501 HD11 LEU 67 1HD1 LEU 67 1.005 -3.568 3.620 502 HD12 LEU 67 2HD1 LEU 67 1.062 -2.355 2.301 503 HD13 LEU 67 3HD1 LEU 67 -0.438 -2.613 3.215 504 HD21 LEU 67 3HD2 LEU 67 -0.566 -0.218 3.543 505 HD22 LEU 67 1HD2 LEU 67 0.960 -0.060 2.659 506 HD23 LEU 67 2HD2 LEU 67 0.834 0.563 4.300 507 H ARG 68 H ARG 68 -2.023 -0.238 7.081 508 HA ARG 68 HA ARG 68 -2.343 -2.225 9.160 509 HB2 ARG 68 2HB ARG 68 -1.702 -0.178 10.214 510 HB3 ARG 68 1HB ARG 68 -2.792 0.714 9.188 511 HG2 ARG 68 2HG ARG 68 -4.672 -0.127 10.322 512 HG3 ARG 68 1HG ARG 68 -3.670 -1.271 11.240 513 HD2 ARG 68 2HD ARG 68 -4.024 0.698 12.649 514 HD3 ARG 68 1HD ARG 68 -2.382 0.459 11.972 515 HE ARG 68 HE ARG 68 -2.989 2.162 10.280 516 HH11 ARG 68 1HH1 ARG 68 -4.444 2.279 13.496 517 HH12 ARG 68 2HH1 ARG 68 -4.410 3.965 13.619 518 HH21 ARG 68 1HH2 ARG 68 -2.898 4.511 10.441 519 HH22 ARG 68 2HH2 ARG 68 -3.510 5.262 11.845 520 H ILE 69 H ILE 69 -4.335 -3.259 8.705 521 HA ILE 69 HA ILE 69 -5.912 -2.177 6.637 522 HB ILE 69 HB ILE 69 -7.332 -4.128 6.990 523 HG12 ILE 69 2HG1 ILE 69 -7.062 -4.626 9.407 524 HG13 ILE 69 1HG1 ILE 69 -6.628 -5.987 8.394 525 HG21 ILE 69 1HG2 ILE 69 -5.792 -5.806 6.174 526 HG22 ILE 69 2HG2 ILE 69 -4.434 -4.746 6.601 527 HG23 ILE 69 3HG2 ILE 69 -5.623 -4.238 5.394 528 HD11 ILE 69 3HD1 ILE 69 -5.156 -5.910 10.221 529 HD12 ILE 69 1HD1 ILE 69 -4.716 -4.238 9.930 530 HD13 ILE 69 2HD1 ILE 69 -4.242 -5.513 8.786 531 H LYS 70 H LYS 70 -7.983 -1.567 6.783 532 HA LYS 70 HA LYS 70 -8.806 -0.053 8.997 533 HB2 LYS 70 2HB LYS 70 -9.616 0.223 6.628 534 HB3 LYS 70 1HB LYS 70 -10.524 -1.267 6.841 535 HG2 LYS 70 2HG LYS 70 -11.734 -0.192 8.698 536 HG3 LYS 70 1HG LYS 70 -10.886 1.312 8.312 537 HD2 LYS 70 2HD LYS 70 -13.056 1.401 7.238 538 HD3 LYS 70 1HD LYS 70 -11.814 1.148 6.003 539 HE2 LYS 70 2HE LYS 70 -12.307 -1.252 5.984 540 HE3 LYS 70 1HE LYS 70 -13.525 -1.022 7.227 541 HZ1 LYS 70 3HZ LYS 70 -14.573 -1.186 5.141 542 HZ2 LYS 70 1HZ LYS 70 -13.573 -0.103 4.416 543 HZ3 LYS 70 2HZ LYS 70 -14.716 0.443 5.562 Start of MODEL 10 1 H1 MET 1 1HT MET 1 5.788 14.201 3.020 2 H2 MET 1 2HT MET 1 5.283 13.427 1.630 3 H3 MET 1 3HT MET 1 6.876 13.229 2.158 4 HA MET 1 HA MET 1 5.482 11.296 2.622 5 HB2 MET 1 2HB MET 1 6.195 12.857 5.130 6 HB3 MET 1 1HB MET 1 5.823 11.148 5.081 7 HG2 MET 1 2HG MET 1 8.199 11.441 5.258 8 HG3 MET 1 1HG MET 1 7.819 10.776 3.677 9 HE1 MET 1 2HE MET 1 8.935 13.944 5.704 10 HE2 MET 1 3HE MET 1 7.481 14.543 4.902 11 HE3 MET 1 1HE MET 1 9.060 15.168 4.437 12 H ALA 2 H ALA 2 3.626 10.441 3.596 13 HA ALA 2 HA ALA 2 1.676 12.394 4.537 14 HB1 ALA 2 1HB ALA 2 -0.050 11.315 3.146 15 HB2 ALA 2 2HB ALA 2 1.217 10.350 2.370 16 HB3 ALA 2 3HB ALA 2 1.205 12.098 2.190 17 H THR 3 H THR 3 0.136 11.472 5.958 18 HA THR 3 HA THR 3 0.743 8.743 6.812 19 HB THR 3 HB THR 3 0.397 9.597 9.173 20 HG1 THR 3 1HG THR 3 0.048 11.631 9.457 21 HG21 THR 3 3HG2 THR 3 2.795 10.620 7.642 22 HG22 THR 3 1HG2 THR 3 2.620 9.004 8.328 23 HG23 THR 3 2HG2 THR 3 2.720 10.410 9.391 24 H ASN 4 H ASN 4 -0.893 7.645 7.823 25 HA ASN 4 HA ASN 4 -3.030 6.944 8.382 26 HB2 ASN 4 2HB ASN 4 -3.556 9.923 8.642 27 HB3 ASN 4 1HB ASN 4 -4.658 8.664 9.187 28 HD21 ASN 4 1HD2 ASN 4 -4.120 7.456 11.023 29 HD22 ASN 4 2HD2 ASN 4 -2.879 7.956 12.100 30 H ILE 5 H ILE 5 -2.446 7.016 5.720 31 HA ILE 5 HA ILE 5 -4.431 8.393 4.189 32 HB ILE 5 HB ILE 5 -2.568 6.159 3.359 33 HG12 ILE 5 2HG1 ILE 5 -2.214 9.163 3.387 34 HG13 ILE 5 1HG1 ILE 5 -1.312 7.880 4.221 35 HG21 ILE 5 1HG2 ILE 5 -4.410 6.451 1.791 36 HG22 ILE 5 2HG2 ILE 5 -2.881 6.971 1.082 37 HG23 ILE 5 3HG2 ILE 5 -4.044 8.178 1.644 38 HD11 ILE 5 3HD1 ILE 5 -0.414 7.092 2.173 39 HD12 ILE 5 1HD1 ILE 5 -0.101 8.829 2.321 40 HD13 ILE 5 2HD1 ILE 5 -1.390 8.243 1.260 41 H VAL 6 H VAL 6 -6.051 7.454 2.964 42 HA VAL 6 HA VAL 6 -7.175 4.965 4.012 43 HB VAL 6 HB VAL 6 -8.446 7.146 2.364 44 HG11 VAL 6 1HG1 VAL 6 -9.434 5.016 1.903 45 HG12 VAL 6 2HG1 VAL 6 -10.583 6.006 2.807 46 HG13 VAL 6 3HG1 VAL 6 -9.693 4.699 3.616 47 HG21 VAL 6 3HG2 VAL 6 -8.835 6.507 5.277 48 HG22 VAL 6 1HG2 VAL 6 -9.683 7.747 4.363 49 HG23 VAL 6 2HG2 VAL 6 -7.945 7.893 4.635 50 H GLY 7 H GLY 7 -7.233 3.258 2.593 51 HA2 GLY 7 2HA GLY 7 -8.183 3.717 0.131 52 HA3 GLY 7 1HA GLY 7 -6.518 3.435 -0.188 53 H LYS 8 H LYS 8 -8.008 1.907 -1.337 54 HA LYS 8 HA LYS 8 -8.297 -0.557 0.193 55 HB2 LYS 8 2HB LYS 8 -10.367 0.301 -0.725 56 HB3 LYS 8 1HB LYS 8 -9.620 0.433 -2.310 57 HG2 LYS 8 2HG LYS 8 -9.478 -1.932 -2.528 58 HG3 LYS 8 1HG LYS 8 -10.023 -2.180 -0.867 59 HD2 LYS 8 2HD LYS 8 -11.648 -0.790 -2.980 60 HD3 LYS 8 1HD LYS 8 -11.810 -2.516 -2.628 61 HE2 LYS 8 2HE LYS 8 -12.506 -2.030 -0.368 62 HE3 LYS 8 1HE LYS 8 -12.182 -0.317 -0.579 63 HZ1 LYS 8 3HZ LYS 8 -14.258 -1.832 -2.079 64 HZ2 LYS 8 1HZ LYS 8 -13.876 -0.186 -2.194 65 HZ3 LYS 8 2HZ LYS 8 -14.529 -0.781 -0.767 66 H VAL 9 H VAL 9 -7.186 -2.263 -0.460 67 HA VAL 9 HA VAL 9 -4.917 -1.976 -2.110 68 HB VAL 9 HB VAL 9 -6.243 -4.579 -1.264 69 HG11 VAL 9 1HG1 VAL 9 -4.600 -4.945 -3.019 70 HG12 VAL 9 2HG1 VAL 9 -3.962 -5.557 -1.482 71 HG13 VAL 9 3HG1 VAL 9 -3.404 -4.021 -2.118 72 HG21 VAL 9 3HG2 VAL 9 -4.094 -3.010 0.151 73 HG22 VAL 9 1HG2 VAL 9 -4.699 -4.594 0.627 74 HG23 VAL 9 2HG2 VAL 9 -5.766 -3.187 0.681 75 H LYS 10 H LYS 10 -5.082 -1.571 -4.096 76 HA LYS 10 HA LYS 10 -7.214 -2.219 -5.823 77 HB2 LYS 10 2HB LYS 10 -5.743 -0.303 -6.245 78 HB3 LYS 10 1HB LYS 10 -4.384 -1.378 -6.384 79 HG2 LYS 10 2HG LYS 10 -5.208 -2.278 -8.423 80 HG3 LYS 10 1HG LYS 10 -6.713 -1.404 -8.257 81 HD2 LYS 10 2HD LYS 10 -4.097 -0.014 -8.279 82 HD3 LYS 10 1HD LYS 10 -4.983 -0.306 -9.817 83 HE2 LYS 10 2HE LYS 10 -6.911 0.869 -8.609 84 HE3 LYS 10 1HE LYS 10 -5.731 1.306 -7.382 85 HZ1 LYS 10 3HZ LYS 10 -4.540 2.665 -9.032 86 HZ2 LYS 10 1HZ LYS 10 -6.204 2.976 -9.024 87 HZ3 LYS 10 2HZ LYS 10 -5.559 2.050 -10.240 88 H TRP 11 H TRP 11 -3.933 -3.492 -5.637 89 HA TRP 11 HA TRP 11 -4.858 -6.138 -5.933 90 HB2 TRP 11 2HB TRP 11 -3.628 -6.792 -7.926 91 HB3 TRP 11 1HB TRP 11 -4.841 -5.629 -8.370 92 HD1 TRP 11 HD TRP 11 -3.864 -3.200 -9.243 93 HE1 TRP 11 1HE TRP 11 -1.586 -2.557 -10.187 94 HE3 TRP 11 3HE TRP 11 -1.259 -7.255 -7.749 95 HZ2 TRP 11 2HZ TRP 11 1.024 -3.642 -10.294 96 HZ3 TRP 11 3HZ TRP 11 1.166 -7.411 -8.314 97 HH2 TRP 11 HH TRP 11 2.266 -5.632 -9.564 98 H TYR 12 H TYR 12 -3.152 -7.637 -5.784 99 HA TYR 12 HA TYR 12 -0.562 -6.687 -5.057 100 HB2 TYR 12 2HB TYR 12 -1.754 -6.273 -2.928 101 HB3 TYR 12 1HB TYR 12 -2.274 -7.954 -2.895 102 HD1 TYR 12 2HD TYR 12 0.737 -5.789 -2.836 103 HD2 TYR 12 1HD TYR 12 -0.881 -9.614 -1.940 104 HE1 TYR 12 2HE TYR 12 2.810 -6.381 -1.659 105 HE2 TYR 12 1HE TYR 12 1.188 -10.219 -0.763 106 HH TYR 12 HH TYR 12 3.539 -7.928 0.072 107 H ASN 13 H ASN 13 0.790 -8.101 -5.715 108 HA ASN 13 HA ASN 13 -0.097 -10.847 -6.211 109 HB2 ASN 13 2HB ASN 13 0.960 -9.530 -8.088 110 HB3 ASN 13 1HB ASN 13 2.403 -9.400 -7.106 111 HD21 ASN 13 1HD2 ASN 13 0.402 -11.563 -8.937 112 HD22 ASN 13 2HD2 ASN 13 1.562 -12.841 -9.042 113 H SER 14 H SER 14 0.443 -12.259 -4.662 114 HA SER 14 HA SER 14 2.089 -11.448 -2.492 115 HB2 SER 14 2HB SER 14 0.077 -12.827 -2.204 116 HB3 SER 14 1HB SER 14 0.839 -14.139 -3.094 117 HG SER 14 HG SER 14 1.705 -14.713 -1.313 118 H THR 15 H THR 15 2.600 -13.277 -5.395 119 HA THR 15 HA THR 15 4.874 -14.730 -4.563 120 HB THR 15 HB THR 15 4.192 -13.791 -7.353 121 HG1 THR 15 1HG THR 15 3.040 -15.701 -5.666 122 HG21 THR 15 3HG2 THR 15 6.418 -14.821 -7.109 123 HG22 THR 15 1HG2 THR 15 5.338 -15.859 -8.037 124 HG23 THR 15 2HG2 THR 15 5.683 -16.233 -6.348 125 H LYS 16 H LYS 16 4.543 -11.757 -6.510 126 HA LYS 16 HA LYS 16 7.402 -11.267 -6.349 127 HB2 LYS 16 2HB LYS 16 5.227 -9.686 -7.729 128 HB3 LYS 16 1HB LYS 16 6.952 -9.455 -7.932 129 HG2 LYS 16 2HG LYS 16 7.147 -11.676 -8.876 130 HG3 LYS 16 1HG LYS 16 5.405 -11.883 -8.706 131 HD2 LYS 16 2HD LYS 16 6.022 -11.226 -10.942 132 HD3 LYS 16 1HD LYS 16 5.017 -9.975 -10.193 133 HE2 LYS 16 2HE LYS 16 6.856 -8.996 -11.448 134 HE3 LYS 16 1HE LYS 16 7.092 -8.676 -9.739 135 HZ1 LYS 16 3HZ LYS 16 9.140 -9.357 -10.760 136 HZ2 LYS 16 1HZ LYS 16 8.444 -10.762 -11.361 137 HZ3 LYS 16 2HZ LYS 16 8.656 -10.579 -9.706 138 H ASN 17 H ASN 17 4.683 -10.469 -4.523 139 HA ASN 17 HA ASN 17 4.305 -9.125 -2.758 140 HB2 ASN 17 2HB ASN 17 7.294 -8.826 -2.884 141 HB3 ASN 17 1HB ASN 17 6.318 -8.073 -1.624 142 HD21 ASN 17 1HD2 ASN 17 4.452 -10.223 -1.343 143 HD22 ASN 17 2HD2 ASN 17 5.288 -11.534 -0.624 144 H PHE 18 H PHE 18 4.196 -7.999 -5.474 145 HA PHE 18 HA PHE 18 4.464 -5.160 -4.726 146 HB2 PHE 18 2HB PHE 18 4.481 -6.350 -7.513 147 HB3 PHE 18 1HB PHE 18 4.470 -4.634 -7.156 148 HD1 PHE 18 1HD PHE 18 6.446 -3.828 -5.615 149 HD2 PHE 18 2HD PHE 18 6.464 -7.382 -7.937 150 HE1 PHE 18 1HE PHE 18 8.908 -3.815 -5.607 151 HE2 PHE 18 2HE PHE 18 8.924 -7.385 -7.931 152 HZ PHE 18 HZ PHE 18 10.148 -5.602 -6.768 153 H GLY 19 H GLY 19 2.752 -3.732 -5.465 154 HA2 GLY 19 2HA GLY 19 0.470 -4.632 -6.798 155 HA3 GLY 19 1HA GLY 19 0.192 -4.706 -5.060 156 H PHE 20 H PHE 20 -1.452 -3.100 -5.920 157 HA PHE 20 HA PHE 20 -0.366 -0.435 -5.453 158 HB2 PHE 20 2HB PHE 20 -2.099 -1.217 -7.766 159 HB3 PHE 20 1HB PHE 20 -2.200 0.401 -7.086 160 HD1 PHE 20 1HD PHE 20 -0.011 -2.007 -8.829 161 HD2 PHE 20 2HD PHE 20 -0.489 2.005 -7.514 162 HE1 PHE 20 1HE PHE 20 1.906 -1.327 -10.210 163 HE2 PHE 20 2HE PHE 20 1.425 2.693 -8.897 164 HZ PHE 20 HZ PHE 20 2.625 1.019 -10.247 165 H ILE 21 H ILE 21 -1.947 1.119 -4.792 166 HA ILE 21 HA ILE 21 -4.389 0.021 -3.593 167 HB ILE 21 HB ILE 21 -2.347 1.682 -2.051 168 HG12 ILE 21 2HG1 ILE 21 -3.076 -1.237 -1.671 169 HG13 ILE 21 1HG1 ILE 21 -1.587 -0.660 -2.388 170 HG21 ILE 21 1HG2 ILE 21 -4.603 2.168 -1.380 171 HG22 ILE 21 2HG2 ILE 21 -3.779 1.237 -0.124 172 HG23 ILE 21 3HG2 ILE 21 -4.942 0.447 -1.183 173 HD11 ILE 21 3HD1 ILE 21 -2.456 -0.097 0.443 174 HD12 ILE 21 1HD1 ILE 21 -0.939 0.376 -0.304 175 HD13 ILE 21 2HD1 ILE 21 -1.289 -1.331 -0.053 176 H GLU 22 H GLU 22 -6.090 1.516 -3.798 177 HA GLU 22 HA GLU 22 -5.454 4.351 -3.738 178 HB2 GLU 22 2HB GLU 22 -6.877 4.956 -5.592 179 HB3 GLU 22 1HB GLU 22 -5.718 3.786 -6.197 180 HG2 GLU 22 2HG GLU 22 -7.361 2.067 -6.252 181 HG3 GLU 22 1HG GLU 22 -8.499 3.033 -5.332 182 H GLN 23 H GLN 23 -7.309 5.565 -2.961 183 HA GLN 23 HA GLN 23 -9.083 3.796 -1.498 184 HB2 GLN 23 2HB GLN 23 -9.910 5.721 -0.317 185 HB3 GLN 23 1HB GLN 23 -8.171 5.828 -0.388 186 HG2 GLN 23 2HG GLN 23 -8.298 7.424 -2.149 187 HG3 GLN 23 1HG GLN 23 -10.057 7.314 -2.170 188 HE21 GLN 23 1HE2 GLN 23 -7.280 8.391 -0.420 189 HE22 GLN 23 2HE2 GLN 23 -8.108 9.441 0.643 190 H ASP 24 H ASP 24 -11.301 3.978 -1.523 191 HA ASP 24 HA ASP 24 -12.337 3.618 -4.075 192 HB2 ASP 24 2HB ASP 24 -13.789 4.088 -1.490 193 HB3 ASP 24 1HB ASP 24 -14.520 3.568 -2.996 194 H ASN 25 H ASN 25 -12.031 6.497 -2.259 195 HA ASN 25 HA ASN 25 -14.069 7.894 -3.731 196 HB2 ASN 25 2HB ASN 25 -11.929 8.956 -1.875 197 HB3 ASN 25 1HB ASN 25 -13.112 9.981 -2.677 198 HD21 ASN 25 1HD2 ASN 25 -12.561 7.656 -0.153 199 HD22 ASN 25 2HD2 ASN 25 -14.105 7.790 0.575 200 H GLY 26 H GLY 26 -11.147 6.788 -4.699 201 HA2 GLY 26 2HA GLY 26 -10.361 7.227 -6.896 202 HA3 GLY 26 1HA GLY 26 -11.022 8.857 -6.774 203 H GLY 27 H GLY 27 -8.912 6.912 -4.741 204 HA2 GLY 27 2HA GLY 27 -7.336 9.241 -4.153 205 HA3 GLY 27 1HA GLY 27 -7.013 7.637 -3.524 206 H LYS 28 H LYS 28 -5.008 9.191 -4.283 207 HA LYS 28 HA LYS 28 -4.241 8.899 -6.972 208 HB2 LYS 28 2HB LYS 28 -2.043 9.642 -6.201 209 HB3 LYS 28 1HB LYS 28 -3.373 10.686 -5.737 210 HG2 LYS 28 2HG LYS 28 -3.339 9.651 -3.498 211 HG3 LYS 28 1HG LYS 28 -1.909 8.737 -3.995 212 HD2 LYS 28 2HD LYS 28 -0.776 10.746 -4.515 213 HD3 LYS 28 1HD LYS 28 -2.217 11.670 -4.094 214 HE2 LYS 28 2HE LYS 28 -2.097 10.844 -1.777 215 HE3 LYS 28 1HE LYS 28 -0.645 9.927 -2.178 216 HZ1 LYS 28 3HZ LYS 28 -0.177 12.000 -1.035 217 HZ2 LYS 28 1HZ LYS 28 -0.890 12.879 -2.284 218 HZ3 LYS 28 2HZ LYS 28 0.523 11.989 -2.576 219 H ASP 29 H ASP 29 -2.428 7.674 -7.776 220 HA ASP 29 HA ASP 29 -2.551 4.992 -6.774 221 HB2 ASP 29 2HB ASP 29 -1.178 6.137 -9.199 222 HB3 ASP 29 1HB ASP 29 -1.056 4.448 -8.738 223 H VAL 30 H VAL 30 -1.304 4.216 -5.387 224 HA VAL 30 HA VAL 30 1.509 4.860 -5.426 225 HB VAL 30 HB VAL 30 0.774 6.167 -3.544 226 HG11 VAL 30 1HG1 VAL 30 -1.472 5.115 -3.254 227 HG12 VAL 30 2HG1 VAL 30 -0.563 5.354 -1.757 228 HG13 VAL 30 3HG1 VAL 30 -0.662 3.736 -2.465 229 HG21 VAL 30 3HG2 VAL 30 1.835 3.523 -2.597 230 HG22 VAL 30 1HG2 VAL 30 1.716 4.959 -1.591 231 HG23 VAL 30 2HG2 VAL 30 2.750 4.971 -3.016 232 H PHE 31 H PHE 31 2.797 3.064 -5.206 233 HA PHE 31 HA PHE 31 1.266 0.628 -5.275 234 HB2 PHE 31 2HB PHE 31 3.304 -0.505 -6.045 235 HB3 PHE 31 1HB PHE 31 2.843 0.835 -7.092 236 HD1 PHE 31 1HD PHE 31 5.295 -0.486 -4.717 237 HD2 PHE 31 2HD PHE 31 4.308 2.735 -7.312 238 HE1 PHE 31 1HE PHE 31 7.615 0.310 -4.595 239 HE2 PHE 31 2HE PHE 31 6.614 3.546 -7.191 240 HZ PHE 31 HZ PHE 31 8.283 2.329 -5.831 241 H VAL 32 H VAL 32 1.770 -1.162 -4.065 242 HA VAL 32 HA VAL 32 2.764 -0.356 -1.468 243 HB VAL 32 HB VAL 32 0.532 -1.351 -1.424 244 HG11 VAL 32 1HG1 VAL 32 1.798 -3.816 -2.586 245 HG12 VAL 32 2HG1 VAL 32 0.623 -2.764 -3.372 246 HG13 VAL 32 3HG1 VAL 32 0.150 -3.711 -1.962 247 HG21 VAL 32 3HG2 VAL 32 0.917 -3.152 0.221 248 HG22 VAL 32 1HG2 VAL 32 1.910 -1.727 0.553 249 HG23 VAL 32 2HG2 VAL 32 2.624 -3.143 -0.213 250 H HIS 33 H HIS 33 4.575 -0.995 -0.700 251 HA HIS 33 HA HIS 33 6.108 -3.035 -2.185 252 HB2 HIS 33 2HB HIS 33 6.974 -0.698 -2.381 253 HB3 HIS 33 1HB HIS 33 7.119 -0.650 -0.624 254 HD1 HIS 33 1HD HIS 33 8.283 -3.020 -3.351 255 HD2 HIS 33 2HD HIS 33 9.585 -1.226 0.125 256 HE1 HIS 33 1HE HIS 33 10.509 -3.940 -2.949 257 HE2 HIS 33 2HE HIS 33 11.438 -2.511 -1.090 258 H LYS 34 H LYS 34 7.374 -4.492 -0.932 259 HA LYS 34 HA LYS 34 5.889 -5.310 1.307 260 HB2 LYS 34 2HB LYS 34 6.885 -6.984 -0.115 261 HB3 LYS 34 1HB LYS 34 8.503 -6.456 0.340 262 HG2 LYS 34 2HG LYS 34 8.154 -7.160 2.617 263 HG3 LYS 34 1HG LYS 34 6.466 -7.516 2.279 264 HD2 LYS 34 2HD LYS 34 7.026 -9.231 0.867 265 HD3 LYS 34 1HD LYS 34 8.782 -8.891 0.987 266 HE2 LYS 34 2HE LYS 34 8.591 -9.378 3.422 267 HE3 LYS 34 1HE LYS 34 6.894 -9.790 3.178 268 HZ1 LYS 34 3HZ LYS 34 8.291 -11.721 3.282 269 HZ2 LYS 34 1HZ LYS 34 9.210 -11.203 1.971 270 HZ3 LYS 34 2HZ LYS 34 7.590 -11.625 1.750 271 H SER 35 H SER 35 8.687 -3.319 1.161 272 HA SER 35 HA SER 35 9.593 -3.570 3.752 273 HB2 SER 35 2HB SER 35 9.250 -0.997 2.208 274 HB3 SER 35 1HB SER 35 10.293 -1.228 3.613 275 HG SER 35 HG SER 35 11.716 -1.988 2.376 276 H ALA 36 H ALA 36 6.506 -2.363 2.714 277 HA ALA 36 HA ALA 36 5.821 -1.012 5.127 278 HB1 ALA 36 1HB ALA 36 4.018 -2.298 3.154 279 HB2 ALA 36 2HB ALA 36 4.793 -0.739 2.904 280 HB3 ALA 36 3HB ALA 36 3.659 -0.965 4.276 281 H VAL 37 H VAL 37 5.291 -4.248 3.805 282 HA VAL 37 HA VAL 37 3.761 -5.178 5.994 283 HB VAL 37 HB VAL 37 5.338 -6.855 3.956 284 HG11 VAL 37 1HG1 VAL 37 3.111 -7.670 5.844 285 HG12 VAL 37 2HG1 VAL 37 4.778 -8.034 6.079 286 HG13 VAL 37 3HG1 VAL 37 3.922 -8.718 4.678 287 HG21 VAL 37 3HG2 VAL 37 3.624 -5.406 2.923 288 HG22 VAL 37 1HG2 VAL 37 2.417 -6.062 4.029 289 HG23 VAL 37 2HG2 VAL 37 3.171 -7.113 2.838 290 H ASP 38 H ASP 38 7.117 -4.986 5.165 291 HA ASP 38 HA ASP 38 8.087 -6.627 7.282 292 HB2 ASP 38 2HB ASP 38 9.439 -6.201 5.267 293 HB3 ASP 38 1HB ASP 38 9.496 -4.489 5.669 294 H ALA 39 H ALA 39 7.367 -3.185 6.891 295 HA ALA 39 HA ALA 39 8.638 -2.423 9.313 296 HB1 ALA 39 1HB ALA 39 8.305 -0.869 7.442 297 HB2 ALA 39 2HB ALA 39 7.655 -0.256 8.959 298 HB3 ALA 39 3HB ALA 39 6.564 -0.914 7.737 299 H ALA 40 H ALA 40 5.225 -2.898 8.441 300 HA ALA 40 HA ALA 40 4.555 -2.575 11.285 301 HB1 ALA 40 1HB ALA 40 2.243 -2.304 10.583 302 HB2 ALA 40 2HB ALA 40 2.692 -2.662 8.917 303 HB3 ALA 40 3HB ALA 40 3.301 -1.205 9.701 304 H GLY 41 H GLY 41 4.757 -4.996 8.871 305 HA2 GLY 41 2HA GLY 41 4.558 -7.225 9.008 306 HA3 GLY 41 1HA GLY 41 4.188 -7.165 10.698 307 H LEU 42 H LEU 42 2.830 -6.370 7.550 308 HA LEU 42 HA LEU 42 0.127 -6.611 8.377 309 HB2 LEU 42 2HB LEU 42 1.234 -5.288 6.423 310 HB3 LEU 42 1HB LEU 42 1.222 -6.821 5.589 311 HG LEU 42 HG LEU 42 -0.564 -5.420 4.875 312 HD11 LEU 42 1HD1 LEU 42 -1.617 -7.713 6.504 313 HD12 LEU 42 2HD1 LEU 42 -1.029 -7.794 4.843 314 HD13 LEU 42 3HD1 LEU 42 -2.497 -6.893 5.220 315 HD21 LEU 42 3HD2 LEU 42 -2.371 -4.702 6.309 316 HD22 LEU 42 1HD2 LEU 42 -0.792 -4.117 6.866 317 HD23 LEU 42 2HD2 LEU 42 -1.560 -5.464 7.691 318 H HIS 43 H HIS 43 -1.010 -8.497 8.438 319 HA HIS 43 HA HIS 43 0.290 -10.977 8.448 320 HB2 HIS 43 2HB HIS 43 -1.755 -10.542 9.732 321 HB3 HIS 43 1HB HIS 43 -2.675 -10.436 8.238 322 HD1 HIS 43 1HD HIS 43 -3.382 -12.657 7.125 323 HD2 HIS 43 2HD HIS 43 -0.945 -13.152 10.457 324 HE1 HIS 43 1HE HIS 43 -3.481 -15.087 7.671 325 HE2 HIS 43 2HE HIS 43 -2.255 -15.282 9.855 326 H SER 44 H SER 44 -1.883 -9.602 5.978 327 HA SER 44 HA SER 44 -0.725 -10.925 3.818 328 HB2 SER 44 2HB SER 44 -2.692 -12.475 3.335 329 HB3 SER 44 1HB SER 44 -1.593 -12.982 4.619 330 HG SER 44 HG SER 44 -4.241 -12.506 4.755 331 H LEU 45 H LEU 45 -1.436 -10.026 1.958 332 HA LEU 45 HA LEU 45 -3.751 -8.206 2.173 333 HB2 LEU 45 2HB LEU 45 -1.467 -7.969 0.169 334 HB3 LEU 45 1HB LEU 45 -2.864 -6.981 0.278 335 HG LEU 45 HG LEU 45 -0.870 -7.107 2.522 336 HD11 LEU 45 1HD1 LEU 45 -1.158 -5.116 0.270 337 HD12 LEU 45 2HD1 LEU 45 0.171 -6.257 0.464 338 HD13 LEU 45 3HD1 LEU 45 -0.067 -4.970 1.646 339 HD21 LEU 45 3HD2 LEU 45 -3.089 -5.178 1.836 340 HD22 LEU 45 1HD2 LEU 45 -1.981 -5.042 3.198 341 HD23 LEU 45 2HD2 LEU 45 -3.135 -6.374 3.130 342 H GLU 46 H GLU 46 -4.967 -7.867 0.211 343 HA GLU 46 HA GLU 46 -4.767 -9.461 -2.020 344 HB2 GLU 46 2HB GLU 46 -6.939 -10.652 -1.775 345 HB3 GLU 46 1HB GLU 46 -5.729 -11.245 -0.651 346 HG2 GLU 46 2HG GLU 46 -6.780 -9.920 1.132 347 HG3 GLU 46 1HG GLU 46 -8.002 -9.377 -0.020 348 H GLU 47 H GLU 47 -6.702 -8.882 -3.433 349 HA GLU 47 HA GLU 47 -6.976 -6.078 -3.058 350 HB2 GLU 47 2HB GLU 47 -8.188 -6.072 -5.237 351 HB3 GLU 47 1HB GLU 47 -6.556 -6.694 -5.295 352 HG2 GLU 47 2HG GLU 47 -9.017 -8.401 -5.214 353 HG3 GLU 47 1HG GLU 47 -8.212 -7.863 -6.685 354 H GLY 48 H GLY 48 -8.881 -4.926 -3.188 355 HA2 GLY 48 2HA GLY 48 -11.174 -4.589 -2.675 356 HA3 GLY 48 1HA GLY 48 -11.298 -6.287 -2.246 357 H GLN 49 H GLN 49 -8.664 -5.604 -0.639 358 HA GLN 49 HA GLN 49 -9.977 -5.287 1.874 359 HB2 GLN 49 2HB GLN 49 -7.109 -5.478 1.041 360 HB3 GLN 49 1HB GLN 49 -7.592 -5.221 2.701 361 HG2 GLN 49 2HG GLN 49 -8.746 -7.412 1.166 362 HG3 GLN 49 1HG GLN 49 -7.095 -7.637 1.800 363 HE21 GLN 49 1HE2 GLN 49 -9.793 -5.908 3.399 364 HE22 GLN 49 2HE2 GLN 49 -9.979 -7.044 4.650 365 H ASP 50 H ASP 50 -10.133 -3.497 3.092 366 HA ASP 50 HA ASP 50 -9.114 -1.026 1.990 367 HB2 ASP 50 2HB ASP 50 -10.813 -1.567 4.444 368 HB3 ASP 50 1HB ASP 50 -10.216 0.023 3.978 369 H VAL 51 H VAL 51 -7.447 0.082 2.839 370 HA VAL 51 HA VAL 51 -6.120 -1.139 5.088 371 HB VAL 51 HB VAL 51 -5.285 -2.238 3.112 372 HG11 VAL 51 1HG1 VAL 51 -5.611 -0.518 1.420 373 HG12 VAL 51 2HG1 VAL 51 -3.926 -1.036 1.412 374 HG13 VAL 51 3HG1 VAL 51 -4.382 0.477 2.192 375 HG21 VAL 51 3HG2 VAL 51 -3.235 -0.421 4.360 376 HG22 VAL 51 1HG2 VAL 51 -2.871 -1.922 3.486 377 HG23 VAL 51 2HG2 VAL 51 -3.826 -1.958 4.981 378 H ILE 52 H ILE 52 -4.755 0.153 6.106 379 HA ILE 52 HA ILE 52 -4.945 3.033 5.527 380 HB ILE 52 HB ILE 52 -4.560 1.616 8.188 381 HG12 ILE 52 2HG1 ILE 52 -7.022 3.037 7.136 382 HG13 ILE 52 1HG1 ILE 52 -6.827 1.294 7.226 383 HG21 ILE 52 1HG2 ILE 52 -4.953 3.837 9.153 384 HG22 ILE 52 2HG2 ILE 52 -4.988 4.532 7.525 385 HG23 ILE 52 3HG2 ILE 52 -3.512 3.799 8.143 386 HD11 ILE 52 3HD1 ILE 52 -6.679 1.423 9.640 387 HD12 ILE 52 1HD1 ILE 52 -8.174 2.134 9.051 388 HD13 ILE 52 2HD1 ILE 52 -6.853 3.184 9.573 389 H PHE 53 H PHE 53 -2.933 3.981 5.168 390 HA PHE 53 HA PHE 53 -0.603 2.623 6.237 391 HB2 PHE 53 2HB PHE 53 0.526 2.755 4.037 392 HB3 PHE 53 1HB PHE 53 -0.674 1.502 4.045 393 HD1 PHE 53 1HD PHE 53 -2.921 2.042 2.934 394 HD2 PHE 53 2HD PHE 53 0.534 4.510 2.502 395 HE1 PHE 53 1HE PHE 53 -3.870 3.021 0.922 396 HE2 PHE 53 2HE PHE 53 -0.418 5.480 0.476 397 HZ PHE 53 HZ PHE 53 -2.619 4.743 -0.326 398 H ASP 54 H ASP 54 1.384 3.903 5.270 399 HA ASP 54 HA ASP 54 0.719 6.720 5.300 400 HB2 ASP 54 2HB ASP 54 3.136 5.373 6.585 401 HB3 ASP 54 1HB ASP 54 2.885 7.111 6.475 402 H LEU 55 H LEU 55 2.488 7.872 4.132 403 HA LEU 55 HA LEU 55 3.530 6.124 2.042 404 HB2 LEU 55 2HB LEU 55 1.532 6.990 1.147 405 HB3 LEU 55 1HB LEU 55 1.933 8.585 1.737 406 HG LEU 55 HG LEU 55 3.547 8.913 -0.029 407 HD11 LEU 55 1HD1 LEU 55 4.493 6.696 -0.140 408 HD12 LEU 55 2HD1 LEU 55 3.946 7.198 -1.733 409 HD13 LEU 55 3HD1 LEU 55 2.994 6.049 -0.774 410 HD21 LEU 55 3HD2 LEU 55 2.121 8.745 -1.985 411 HD22 LEU 55 1HD2 LEU 55 1.211 9.327 -0.591 412 HD23 LEU 55 2HD2 LEU 55 1.040 7.650 -1.132 413 H GLU 56 H GLU 56 5.404 6.383 1.536 414 HA GLU 56 HA GLU 56 6.791 8.912 1.973 415 HB2 GLU 56 2HB GLU 56 7.937 6.125 2.235 416 HB3 GLU 56 1HB GLU 56 8.882 7.606 2.225 417 HG2 GLU 56 2HG GLU 56 7.728 8.329 4.242 418 HG3 GLU 56 1HG GLU 56 6.854 6.792 4.285 419 H GLU 57 H GLU 57 7.945 9.587 0.290 420 HA GLU 57 HA GLU 57 7.536 8.014 -2.111 421 HB2 GLU 57 2HB GLU 57 7.835 10.096 -3.378 422 HB3 GLU 57 1HB GLU 57 6.484 10.161 -2.255 423 HG2 GLU 57 2HG GLU 57 7.947 11.287 -0.677 424 HG3 GLU 57 1HG GLU 57 9.183 11.375 -1.911 425 H LYS 58 H LYS 58 9.067 8.098 -3.610 426 HA LYS 58 HA LYS 58 11.825 7.946 -2.504 427 HB2 LYS 58 2HB LYS 58 10.462 5.809 -3.143 428 HB3 LYS 58 1HB LYS 58 10.710 6.360 -4.778 429 HG2 LYS 58 2HG LYS 58 13.110 6.214 -4.529 430 HG3 LYS 58 1HG LYS 58 12.919 5.751 -2.840 431 HD2 LYS 58 2HD LYS 58 11.683 3.741 -3.537 432 HD3 LYS 58 1HD LYS 58 11.937 4.192 -5.224 433 HE2 LYS 58 2HE LYS 58 13.587 2.539 -4.568 434 HE3 LYS 58 1HE LYS 58 14.332 4.118 -4.862 435 HZ1 LYS 58 3HZ LYS 58 15.180 2.992 -2.866 436 HZ2 LYS 58 1HZ LYS 58 13.660 3.078 -2.160 437 HZ3 LYS 58 2HZ LYS 58 14.526 4.490 -2.509 438 H GLN 59 H GLN 59 10.229 10.073 -3.831 439 HA GLN 59 HA GLN 59 10.473 11.809 -5.222 440 HB2 GLN 59 2HB GLN 59 13.155 10.595 -5.914 441 HB3 GLN 59 1HB GLN 59 12.619 12.196 -6.406 442 HG2 GLN 59 2HG GLN 59 12.473 12.866 -4.066 443 HG3 GLN 59 1HG GLN 59 13.006 11.259 -3.576 444 HE21 GLN 59 1HE2 GLN 59 15.127 10.669 -3.932 445 HE22 GLN 59 2HE2 GLN 59 16.362 11.830 -4.242 446 H GLY 60 H GLY 60 11.832 9.070 -6.984 447 HA2 GLY 60 2HA GLY 60 10.232 9.791 -9.299 448 HA3 GLY 60 1HA GLY 60 11.395 8.469 -9.195 449 H LYS 61 H LYS 61 10.091 7.693 -6.603 450 HA LYS 61 HA LYS 61 7.791 6.345 -7.789 451 HB2 LYS 61 2HB LYS 61 9.811 5.125 -5.887 452 HB3 LYS 61 1HB LYS 61 8.331 4.355 -6.412 453 HG2 LYS 61 2HG LYS 61 10.573 5.210 -8.221 454 HG3 LYS 61 1HG LYS 61 10.285 3.565 -7.645 455 HD2 LYS 61 2HD LYS 61 8.135 3.521 -8.776 456 HD3 LYS 61 1HD LYS 61 8.344 5.198 -9.279 457 HE2 LYS 61 2HE LYS 61 10.262 4.609 -10.552 458 HE3 LYS 61 1HE LYS 61 10.124 2.916 -10.045 459 HZ1 LYS 61 3HZ LYS 61 8.126 4.431 -11.638 460 HZ2 LYS 61 1HZ LYS 61 7.979 2.822 -11.176 461 HZ3 LYS 61 2HZ LYS 61 9.184 3.281 -12.259 462 H ALA 62 H ALA 62 6.258 5.495 -6.117 463 HA ALA 62 HA ALA 62 6.248 6.906 -3.550 464 HB1 ALA 62 1HB ALA 62 4.816 8.253 -5.033 465 HB2 ALA 62 2HB ALA 62 3.796 7.379 -3.875 466 HB3 ALA 62 3HB ALA 62 3.947 6.803 -5.519 467 H TYR 63 H TYR 63 6.067 5.302 -2.020 468 HA TYR 63 HA TYR 63 4.459 2.998 -2.775 469 HB2 TYR 63 2HB TYR 63 6.075 1.487 -1.712 470 HB3 TYR 63 1HB TYR 63 6.699 2.295 -3.137 471 HD1 TYR 63 2HD TYR 63 8.274 4.355 -2.683 472 HD2 TYR 63 1HD TYR 63 7.219 1.504 0.290 473 HE1 TYR 63 2HE TYR 63 10.206 5.055 -1.319 474 HE2 TYR 63 1HE TYR 63 9.139 2.201 1.644 475 HH TYR 63 HH TYR 63 10.862 5.028 1.014 476 H ALA 64 H ALA 64 3.285 2.159 -1.315 477 HA ALA 64 HA ALA 64 2.574 3.569 1.140 478 HB1 ALA 64 1HB ALA 64 0.969 1.779 1.425 479 HB2 ALA 64 2HB ALA 64 1.735 0.838 0.146 480 HB3 ALA 64 3HB ALA 64 0.910 2.357 -0.233 481 H VAL 65 H VAL 65 3.027 3.215 3.095 482 HA VAL 65 HA VAL 65 4.653 0.908 3.849 483 HB VAL 65 HB VAL 65 6.139 2.280 5.264 484 HG11 VAL 65 1HG1 VAL 65 6.943 1.651 3.088 485 HG12 VAL 65 2HG1 VAL 65 7.534 3.257 3.515 486 HG13 VAL 65 3HG1 VAL 65 6.201 3.079 2.371 487 HG21 VAL 65 3HG2 VAL 65 4.852 4.656 3.922 488 HG22 VAL 65 1HG2 VAL 65 6.271 4.718 4.971 489 HG23 VAL 65 2HG2 VAL 65 4.714 4.211 5.623 490 H ASN 66 H ASN 66 4.747 0.593 6.170 491 HA ASN 66 HA ASN 66 3.720 0.207 8.161 492 HB2 ASN 66 2HB ASN 66 4.138 2.825 8.164 493 HB3 ASN 66 1HB ASN 66 2.438 2.888 7.906 494 HD21 ASN 66 1HD2 ASN 66 4.042 3.713 10.213 495 HD22 ASN 66 2HD2 ASN 66 3.308 2.976 11.594 496 H LEU 67 H LEU 67 2.368 -1.237 6.638 497 HA LEU 67 HA LEU 67 -0.247 -0.238 6.018 498 HB2 LEU 67 2HB LEU 67 0.811 -3.014 5.806 499 HB3 LEU 67 1HB LEU 67 -0.744 -2.472 5.229 500 HG LEU 67 HG LEU 67 1.979 -1.863 4.102 501 HD11 LEU 67 1HD1 LEU 67 0.956 -3.901 3.563 502 HD12 LEU 67 2HD1 LEU 67 0.948 -2.764 2.170 503 HD13 LEU 67 3HD1 LEU 67 -0.518 -2.970 3.134 504 HD21 LEU 67 3HD2 LEU 67 -0.653 -0.571 3.406 505 HD22 LEU 67 1HD2 LEU 67 0.853 -0.442 2.485 506 HD23 LEU 67 2HD2 LEU 67 0.775 0.219 4.107 507 H ARG 68 H ARG 68 -2.097 -0.560 6.992 508 HA ARG 68 HA ARG 68 -2.307 -2.508 9.110 509 HB2 ARG 68 2HB ARG 68 -3.116 0.320 9.001 510 HB3 ARG 68 1HB ARG 68 -3.908 -0.787 10.079 511 HG2 ARG 68 2HG ARG 68 -2.298 0.074 11.524 512 HG3 ARG 68 1HG ARG 68 -1.252 -1.101 10.726 513 HD2 ARG 68 2HD ARG 68 -0.115 0.974 10.668 514 HD3 ARG 68 1HD ARG 68 -0.721 0.679 9.038 515 HE ARG 68 HE ARG 68 -2.618 2.140 10.490 516 HH11 ARG 68 1HH1 ARG 68 0.380 2.554 8.745 517 HH12 ARG 68 2HH1 ARG 68 0.387 4.254 8.733 518 HH21 ARG 68 1HH2 ARG 68 -2.758 4.498 10.479 519 HH22 ARG 68 2HH2 ARG 68 -1.500 5.398 9.767 520 H ILE 69 H ILE 69 -4.192 -3.725 8.841 521 HA ILE 69 HA ILE 69 -5.831 -3.102 6.667 522 HB ILE 69 HB ILE 69 -7.254 -4.903 7.482 523 HG12 ILE 69 2HG1 ILE 69 -7.007 -4.843 9.951 524 HG13 ILE 69 1HG1 ILE 69 -6.520 -6.389 9.288 525 HG21 ILE 69 1HG2 ILE 69 -5.696 -6.738 7.073 526 HG22 ILE 69 2HG2 ILE 69 -4.368 -5.568 7.232 527 HG23 ILE 69 3HG2 ILE 69 -5.593 -5.357 5.972 528 HD11 ILE 69 3HD1 ILE 69 -5.087 -5.756 11.110 529 HD12 ILE 69 1HD1 ILE 69 -4.685 -4.255 10.320 530 HD13 ILE 69 2HD1 ILE 69 -4.163 -5.790 9.602 531 H LYS 70 H LYS 70 -7.646 -2.076 6.605 532 HA LYS 70 HA LYS 70 -8.318 -0.235 8.624 533 HB2 LYS 70 2HB LYS 70 -8.895 -0.045 6.081 534 HB3 LYS 70 1HB LYS 70 -10.136 -1.180 6.444 535 HG2 LYS 70 2HG LYS 70 -11.213 0.216 8.001 536 HG3 LYS 70 1HG LYS 70 -9.943 1.434 7.826 537 HD2 LYS 70 2HD LYS 70 -10.558 1.797 5.503 538 HD3 LYS 70 1HD LYS 70 -11.752 0.499 5.591 539 HE2 LYS 70 2HE LYS 70 -13.005 1.747 7.251 540 HE3 LYS 70 1HE LYS 70 -11.813 3.043 7.204 541 HZ1 LYS 70 3HZ LYS 70 -13.779 3.536 5.865 542 HZ2 LYS 70 1HZ LYS 70 -13.513 2.201 4.895 543 HZ3 LYS 70 2HZ LYS 70 -12.415 3.478 4.904 Start of MODEL 11 1 H1 MET 1 1HT MET 1 5.034 14.587 2.741 2 H2 MET 1 2HT MET 1 4.884 13.101 1.973 3 H3 MET 1 3HT MET 1 6.400 13.607 2.563 4 HA MET 1 HA MET 1 5.419 11.967 4.015 5 HB2 MET 1 2HB MET 1 6.844 13.686 5.012 6 HB3 MET 1 1HB MET 1 5.471 14.775 5.139 7 HG2 MET 1 2HG MET 1 4.403 13.211 6.703 8 HG3 MET 1 1HG MET 1 5.820 12.171 6.601 9 HE1 MET 1 2HE MET 1 5.976 12.223 9.241 10 HE2 MET 1 3HE MET 1 4.585 13.302 9.325 11 HE3 MET 1 1HE MET 1 6.064 13.705 10.193 12 H ALA 2 H ALA 2 3.479 10.995 4.091 13 HA ALA 2 HA ALA 2 1.294 12.525 5.238 14 HB1 ALA 2 1HB ALA 2 -0.281 11.498 3.613 15 HB2 ALA 2 2HB ALA 2 1.098 10.845 2.730 16 HB3 ALA 2 3HB ALA 2 0.871 12.588 2.838 17 H THR 3 H THR 3 0.753 11.435 7.021 18 HA THR 3 HA THR 3 1.227 8.554 7.064 19 HB THR 3 HB THR 3 1.228 8.818 9.553 20 HG1 THR 3 1HG THR 3 0.134 11.072 9.180 21 HG21 THR 3 3HG2 THR 3 3.249 10.501 8.057 22 HG22 THR 3 1HG2 THR 3 3.340 8.757 8.298 23 HG23 THR 3 2HG2 THR 3 3.466 9.843 9.677 24 H ASN 4 H ASN 4 -0.298 7.180 7.864 25 HA ASN 4 HA ASN 4 -2.343 6.270 7.991 26 HB2 ASN 4 2HB ASN 4 -2.387 7.466 10.201 27 HB3 ASN 4 1HB ASN 4 -3.137 8.839 9.406 28 HD21 ASN 4 1HD2 ASN 4 -4.108 7.261 11.629 29 HD22 ASN 4 2HD2 ASN 4 -5.626 6.606 11.162 30 H ILE 5 H ILE 5 -2.436 6.335 5.806 31 HA ILE 5 HA ILE 5 -4.197 8.306 4.571 32 HB ILE 5 HB ILE 5 -2.258 6.323 3.411 33 HG12 ILE 5 2HG1 ILE 5 -2.120 9.281 3.843 34 HG13 ILE 5 1HG1 ILE 5 -1.160 8.020 4.594 35 HG21 ILE 5 1HG2 ILE 5 -4.102 6.730 1.879 36 HG22 ILE 5 2HG2 ILE 5 -2.597 7.419 1.279 37 HG23 ILE 5 3HG2 ILE 5 -3.831 8.481 1.975 38 HD11 ILE 5 3HD1 ILE 5 -0.174 7.454 2.500 39 HD12 ILE 5 1HD1 ILE 5 0.085 9.168 2.870 40 HD13 ILE 5 2HD1 ILE 5 -1.147 8.696 1.693 41 H VAL 6 H VAL 6 -5.838 7.602 3.345 42 HA VAL 6 HA VAL 6 -6.879 4.955 3.942 43 HB VAL 6 HB VAL 6 -8.123 7.284 2.494 44 HG11 VAL 6 1HG1 VAL 6 -8.990 5.222 1.650 45 HG12 VAL 6 2HG1 VAL 6 -10.231 6.017 2.623 46 HG13 VAL 6 3HG1 VAL 6 -9.336 4.634 3.274 47 HG21 VAL 6 3HG2 VAL 6 -8.633 6.196 5.262 48 HG22 VAL 6 1HG2 VAL 6 -9.553 7.487 4.479 49 HG23 VAL 6 2HG2 VAL 6 -7.848 7.722 4.855 50 H GLY 7 H GLY 7 -6.785 3.397 2.498 51 HA2 GLY 7 2HA GLY 7 -7.196 4.040 -0.210 52 HA3 GLY 7 1HA GLY 7 -5.647 3.315 -0.010 53 H LYS 8 H LYS 8 -7.378 2.164 -1.551 54 HA LYS 8 HA LYS 8 -8.348 -0.165 -0.078 55 HB2 LYS 8 2HB LYS 8 -10.039 0.925 -1.399 56 HB3 LYS 8 1HB LYS 8 -9.072 0.929 -2.845 57 HG2 LYS 8 2HG LYS 8 -9.064 -1.594 -2.605 58 HG3 LYS 8 1HG LYS 8 -10.369 -1.348 -1.438 59 HD2 LYS 8 2HD LYS 8 -11.457 -1.679 -3.547 60 HD3 LYS 8 1HD LYS 8 -11.461 0.054 -3.161 61 HE2 LYS 8 2HE LYS 8 -9.693 0.525 -4.690 62 HE3 LYS 8 1HE LYS 8 -9.399 -1.190 -4.968 63 HZ1 LYS 8 3HZ LYS 8 -11.548 -1.338 -6.046 64 HZ2 LYS 8 1HZ LYS 8 -10.616 -0.172 -6.795 65 HZ3 LYS 8 2HZ LYS 8 -11.858 0.292 -5.757 66 H VAL 9 H VAL 9 -7.289 -2.005 -0.476 67 HA VAL 9 HA VAL 9 -4.883 -2.015 -1.971 68 HB VAL 9 HB VAL 9 -6.514 -4.455 -1.149 69 HG11 VAL 9 1HG1 VAL 9 -4.852 -4.986 -2.862 70 HG12 VAL 9 2HG1 VAL 9 -4.367 -5.679 -1.313 71 HG13 VAL 9 3HG1 VAL 9 -3.594 -4.210 -1.903 72 HG21 VAL 9 3HG2 VAL 9 -4.243 -3.096 0.302 73 HG22 VAL 9 1HG2 VAL 9 -5.030 -4.591 0.802 74 HG23 VAL 9 2HG2 VAL 9 -5.938 -3.081 0.789 75 H LYS 10 H LYS 10 -4.760 -1.791 -3.966 76 HA LYS 10 HA LYS 10 -6.961 -2.071 -5.751 77 HB2 LYS 10 2HB LYS 10 -5.338 -0.259 -5.786 78 HB3 LYS 10 1HB LYS 10 -4.057 -1.400 -6.084 79 HG2 LYS 10 2HG LYS 10 -5.001 -1.852 -8.293 80 HG3 LYS 10 1HG LYS 10 -6.290 -0.692 -7.953 81 HD2 LYS 10 2HD LYS 10 -4.739 1.096 -7.657 82 HD3 LYS 10 1HD LYS 10 -3.381 -0.016 -7.765 83 HE2 LYS 10 2HE LYS 10 -3.669 1.304 -9.713 84 HE3 LYS 10 1HE LYS 10 -3.836 -0.417 -10.057 85 HZ1 LYS 10 3HZ LYS 10 -6.114 1.451 -9.644 86 HZ2 LYS 10 1HZ LYS 10 -6.236 -0.154 -10.119 87 HZ3 LYS 10 2HZ LYS 10 -5.577 0.987 -11.180 88 H TRP 11 H TRP 11 -3.748 -3.582 -5.439 89 HA TRP 11 HA TRP 11 -4.727 -6.156 -5.902 90 HB2 TRP 11 2HB TRP 11 -3.527 -6.735 -7.959 91 HB3 TRP 11 1HB TRP 11 -4.745 -5.541 -8.305 92 HD1 TRP 11 HD TRP 11 -3.784 -3.068 -9.051 93 HE1 TRP 11 1HE TRP 11 -1.492 -2.387 -10.048 94 HE3 TRP 11 3HE TRP 11 -1.167 -7.225 -7.879 95 HZ2 TRP 11 2HZ TRP 11 1.089 -3.497 -10.279 96 HZ3 TRP 11 3HZ TRP 11 1.228 -7.369 -8.520 97 HH2 TRP 11 HH TRP 11 2.316 -5.533 -9.699 98 H TYR 12 H TYR 12 -2.994 -7.695 -5.857 99 HA TYR 12 HA TYR 12 -0.365 -6.801 -5.137 100 HB2 TYR 12 2HB TYR 12 -1.582 -6.344 -3.015 101 HB3 TYR 12 1HB TYR 12 -2.069 -8.031 -2.948 102 HD1 TYR 12 2HD TYR 12 0.801 -5.733 -2.737 103 HD2 TYR 12 1HD TYR 12 -0.563 -9.707 -2.102 104 HE1 TYR 12 2HE TYR 12 2.868 -6.233 -1.495 105 HE2 TYR 12 1HE TYR 12 1.502 -10.223 -0.853 106 HH TYR 12 HH TYR 12 3.600 -7.836 0.237 107 H ASN 13 H ASN 13 0.856 -8.243 -6.094 108 HA ASN 13 HA ASN 13 -0.102 -10.990 -6.292 109 HB2 ASN 13 2HB ASN 13 2.334 -9.688 -7.557 110 HB3 ASN 13 1HB ASN 13 1.894 -11.375 -7.765 111 HD21 ASN 13 1HD2 ASN 13 -1.025 -10.657 -7.937 112 HD22 ASN 13 2HD2 ASN 13 -1.210 -9.976 -9.494 113 H SER 14 H SER 14 0.253 -12.122 -4.569 114 HA SER 14 HA SER 14 1.919 -11.567 -2.472 115 HB2 SER 14 2HB SER 14 0.910 -14.260 -3.364 116 HB3 SER 14 1HB SER 14 1.353 -13.792 -1.725 117 HG SER 14 HG SER 14 -0.972 -13.714 -2.523 118 H THR 15 H THR 15 2.463 -13.782 -5.206 119 HA THR 15 HA THR 15 4.838 -14.941 -4.406 120 HB THR 15 HB THR 15 3.982 -14.276 -7.229 121 HG1 THR 15 1HG THR 15 3.387 -16.559 -5.625 122 HG21 THR 15 3HG2 THR 15 6.282 -15.131 -7.035 123 HG22 THR 15 1HG2 THR 15 5.222 -16.310 -7.804 124 HG23 THR 15 2HG2 THR 15 5.689 -16.518 -6.117 125 H LYS 16 H LYS 16 4.272 -11.844 -6.022 126 HA LYS 16 HA LYS 16 7.161 -11.494 -6.287 127 HB2 LYS 16 2HB LYS 16 4.939 -9.873 -7.548 128 HB3 LYS 16 1HB LYS 16 6.648 -9.630 -7.835 129 HG2 LYS 16 2HG LYS 16 6.787 -11.923 -8.706 130 HG3 LYS 16 1HG LYS 16 5.029 -12.022 -8.575 131 HD2 LYS 16 2HD LYS 16 5.663 -11.444 -10.791 132 HD3 LYS 16 1HD LYS 16 4.844 -10.053 -10.066 133 HE2 LYS 16 2HE LYS 16 7.056 -9.017 -9.664 134 HE3 LYS 16 1HE LYS 16 7.841 -10.429 -10.373 135 HZ1 LYS 16 3HZ LYS 16 6.050 -8.510 -11.755 136 HZ2 LYS 16 1HZ LYS 16 6.672 -9.893 -12.466 137 HZ3 LYS 16 2HZ LYS 16 7.714 -8.668 -11.965 138 H ASN 17 H ASN 17 4.746 -10.739 -4.168 139 HA ASN 17 HA ASN 17 4.623 -9.403 -2.314 140 HB2 ASN 17 2HB ASN 17 7.562 -9.111 -2.907 141 HB3 ASN 17 1HB ASN 17 6.809 -8.427 -1.478 142 HD21 ASN 17 1HD2 ASN 17 5.000 -10.675 -1.048 143 HD22 ASN 17 2HD2 ASN 17 5.989 -11.973 -0.517 144 H PHE 18 H PHE 18 4.125 -8.247 -4.949 145 HA PHE 18 HA PHE 18 4.572 -5.436 -4.269 146 HB2 PHE 18 2HB PHE 18 6.266 -6.232 -5.985 147 HB3 PHE 18 1HB PHE 18 4.867 -6.628 -6.986 148 HD1 PHE 18 1HD PHE 18 6.439 -3.737 -5.263 149 HD2 PHE 18 2HD PHE 18 4.061 -5.124 -8.505 150 HE1 PHE 18 1HE PHE 18 6.441 -1.477 -6.229 151 HE2 PHE 18 2HE PHE 18 4.059 -2.872 -9.478 152 HZ PHE 18 HZ PHE 18 5.248 -1.042 -8.342 153 H GLY 19 H GLY 19 3.021 -4.068 -5.130 154 HA2 GLY 19 2HA GLY 19 0.866 -4.836 -6.756 155 HA3 GLY 19 1HA GLY 19 0.404 -4.960 -5.058 156 H PHE 20 H PHE 20 -1.118 -3.295 -5.737 157 HA PHE 20 HA PHE 20 0.042 -0.671 -5.262 158 HB2 PHE 20 2HB PHE 20 -1.675 -1.360 -7.609 159 HB3 PHE 20 1HB PHE 20 -1.752 0.231 -6.845 160 HD1 PHE 20 1HD PHE 20 0.554 -2.153 -8.527 161 HD2 PHE 20 2HD PHE 20 -0.170 1.870 -7.386 162 HE1 PHE 20 1HE PHE 20 2.480 -1.431 -9.867 163 HE2 PHE 20 2HE PHE 20 1.752 2.606 -8.723 164 HZ PHE 20 HZ PHE 20 3.084 0.953 -9.970 165 H ILE 21 H ILE 21 -1.587 0.958 -4.801 166 HA ILE 21 HA ILE 21 -4.038 0.021 -3.573 167 HB ILE 21 HB ILE 21 -1.942 1.592 -1.972 168 HG12 ILE 21 2HG1 ILE 21 -2.899 -1.249 -1.606 169 HG13 ILE 21 1HG1 ILE 21 -1.321 -0.785 -2.198 170 HG21 ILE 21 1HG2 ILE 21 -4.182 2.257 -1.449 171 HG22 ILE 21 2HG2 ILE 21 -3.463 1.361 -0.110 172 HG23 ILE 21 3HG2 ILE 21 -4.636 0.576 -1.168 173 HD11 ILE 21 3HD1 ILE 21 -2.373 -0.144 0.556 174 HD12 ILE 21 1HD1 ILE 21 -0.777 0.257 -0.071 175 HD13 ILE 21 2HD1 ILE 21 -1.228 -1.430 0.162 176 H GLU 22 H GLU 22 -5.553 1.570 -3.827 177 HA GLU 22 HA GLU 22 -4.818 4.389 -4.018 178 HB2 GLU 22 2HB GLU 22 -6.277 4.769 -5.959 179 HB3 GLU 22 1HB GLU 22 -5.062 3.576 -6.412 180 HG2 GLU 22 2HG GLU 22 -6.709 1.792 -6.065 181 HG3 GLU 22 1HG GLU 22 -7.878 3.020 -5.575 182 H GLN 23 H GLN 23 -6.638 5.659 -3.120 183 HA GLN 23 HA GLN 23 -8.346 3.849 -1.647 184 HB2 GLN 23 2HB GLN 23 -9.339 5.665 -0.459 185 HB3 GLN 23 1HB GLN 23 -7.619 5.975 -0.511 186 HG2 GLN 23 2HG GLN 23 -8.064 7.566 -2.372 187 HG3 GLN 23 1HG GLN 23 -9.754 7.247 -2.141 188 HE21 GLN 23 1HE2 GLN 23 -6.948 8.568 -0.546 189 HE22 GLN 23 2HE2 GLN 23 -7.816 9.516 0.592 190 H ASP 24 H ASP 24 -10.336 3.615 -1.684 191 HA ASP 24 HA ASP 24 -11.485 3.106 -4.166 192 HB2 ASP 24 2HB ASP 24 -12.167 2.085 -2.063 193 HB3 ASP 24 1HB ASP 24 -12.930 3.576 -1.585 194 H ASN 25 H ASN 25 -11.671 6.003 -2.258 195 HA ASN 25 HA ASN 25 -13.849 7.223 -3.553 196 HB2 ASN 25 2HB ASN 25 -11.534 8.398 -2.032 197 HB3 ASN 25 1HB ASN 25 -12.995 9.260 -2.486 198 HD21 ASN 25 1HD2 ASN 25 -13.331 9.646 -0.404 199 HD22 ASN 25 2HD2 ASN 25 -13.999 8.507 0.732 200 H GLY 26 H GLY 26 -10.708 6.578 -4.682 201 HA2 GLY 26 2HA GLY 26 -10.170 7.150 -6.943 202 HA3 GLY 26 1HA GLY 26 -11.015 8.678 -6.710 203 H GLY 27 H GLY 27 -8.555 6.975 -4.836 204 HA2 GLY 27 2HA GLY 27 -7.082 9.493 -4.594 205 HA3 GLY 27 1HA GLY 27 -6.726 8.030 -3.686 206 H LYS 28 H LYS 28 -4.581 9.211 -4.724 207 HA LYS 28 HA LYS 28 -4.130 8.326 -7.412 208 HB2 LYS 28 2HB LYS 28 -2.207 9.561 -5.459 209 HB3 LYS 28 1HB LYS 28 -1.869 9.239 -7.148 210 HG2 LYS 28 2HG LYS 28 -3.707 10.743 -7.796 211 HG3 LYS 28 1HG LYS 28 -3.948 11.142 -6.091 212 HD2 LYS 28 2HD LYS 28 -1.678 11.978 -5.986 213 HD3 LYS 28 1HD LYS 28 -1.445 11.560 -7.691 214 HE2 LYS 28 2HE LYS 28 -3.284 13.106 -8.281 215 HE3 LYS 28 1HE LYS 28 -3.432 13.551 -6.585 216 HZ1 LYS 28 3HZ LYS 28 -1.167 14.421 -6.659 217 HZ2 LYS 28 1HZ LYS 28 -2.152 15.161 -7.811 218 HZ3 LYS 28 2HZ LYS 28 -1.035 13.995 -8.289 219 H ASP 29 H ASP 29 -2.643 6.904 -8.088 220 HA ASP 29 HA ASP 29 -2.634 4.415 -6.733 221 HB2 ASP 29 2HB ASP 29 -0.962 5.242 -9.117 222 HB3 ASP 29 1HB ASP 29 -1.264 3.600 -8.584 223 H VAL 30 H VAL 30 -1.321 3.810 -5.187 224 HA VAL 30 HA VAL 30 1.464 4.671 -5.295 225 HB VAL 30 HB VAL 30 0.415 5.818 -3.388 226 HG11 VAL 30 1HG1 VAL 30 -1.493 4.325 -3.057 227 HG12 VAL 30 2HG1 VAL 30 -0.593 4.672 -1.576 228 HG13 VAL 30 3HG1 VAL 30 -0.385 3.111 -2.379 229 HG21 VAL 30 3HG2 VAL 30 2.088 3.493 -2.492 230 HG22 VAL 30 1HG2 VAL 30 1.721 4.916 -1.526 231 HG23 VAL 30 2HG2 VAL 30 2.665 5.076 -3.011 232 H PHE 31 H PHE 31 2.983 2.996 -4.948 233 HA PHE 31 HA PHE 31 1.689 0.433 -5.147 234 HB2 PHE 31 2HB PHE 31 3.904 -0.488 -5.850 235 HB3 PHE 31 1HB PHE 31 3.197 0.689 -6.944 236 HD1 PHE 31 1HD PHE 31 5.808 0.155 -4.374 237 HD2 PHE 31 2HD PHE 31 4.406 2.607 -7.552 238 HE1 PHE 31 1HE PHE 31 7.951 1.361 -4.387 239 HE2 PHE 31 2HE PHE 31 6.544 3.810 -7.577 240 HZ PHE 31 HZ PHE 31 8.327 3.183 -5.982 241 H VAL 32 H VAL 32 2.129 -1.314 -3.979 242 HA VAL 32 HA VAL 32 3.339 -0.724 -1.384 243 HB VAL 32 HB VAL 32 0.892 -1.089 -1.247 244 HG11 VAL 32 1HG1 VAL 32 1.454 -3.819 -2.350 245 HG12 VAL 32 2HG1 VAL 32 0.533 -2.531 -3.134 246 HG13 VAL 32 3HG1 VAL 32 -0.085 -3.297 -1.667 247 HG21 VAL 32 3HG2 VAL 32 0.884 -2.863 0.465 248 HG22 VAL 32 1HG2 VAL 32 2.186 -1.717 0.720 249 HG23 VAL 32 2HG2 VAL 32 2.523 -3.300 0.012 250 H HIS 33 H HIS 33 4.708 -2.201 -0.558 251 HA HIS 33 HA HIS 33 5.396 -4.594 -2.117 252 HB2 HIS 33 2HB HIS 33 6.904 -2.748 -2.859 253 HB3 HIS 33 1HB HIS 33 7.357 -2.469 -1.184 254 HD1 HIS 33 1HD HIS 33 7.148 -5.734 -3.112 255 HD2 HIS 33 2HD HIS 33 9.846 -3.435 -0.992 256 HE1 HIS 33 1HE HIS 33 9.112 -7.138 -2.830 257 HE2 HIS 33 2HE HIS 33 10.690 -5.814 -1.413 258 H LYS 34 H LYS 34 6.749 -6.078 -0.789 259 HA LYS 34 HA LYS 34 5.488 -6.428 1.686 260 HB2 LYS 34 2HB LYS 34 6.259 -8.340 0.475 261 HB3 LYS 34 1HB LYS 34 7.931 -7.812 0.583 262 HG2 LYS 34 2HG LYS 34 7.932 -8.244 2.974 263 HG3 LYS 34 1HG LYS 34 6.206 -8.614 2.923 264 HD2 LYS 34 2HD LYS 34 6.528 -10.433 1.599 265 HD3 LYS 34 1HD LYS 34 8.264 -10.105 1.353 266 HE2 LYS 34 2HE LYS 34 8.547 -10.473 3.814 267 HE3 LYS 34 1HE LYS 34 6.838 -10.898 3.913 268 HZ1 LYS 34 3HZ LYS 34 8.246 -12.854 3.795 269 HZ2 LYS 34 1HZ LYS 34 8.897 -12.351 2.333 270 HZ3 LYS 34 2HZ LYS 34 7.267 -12.773 2.427 271 H SER 35 H SER 35 8.290 -4.639 0.911 272 HA SER 35 HA SER 35 9.490 -4.246 3.394 273 HB2 SER 35 2HB SER 35 8.750 -2.059 1.436 274 HB3 SER 35 1HB SER 35 10.046 -1.999 2.634 275 HG SER 35 HG SER 35 11.110 -3.590 1.544 276 H ALA 36 H ALA 36 6.319 -3.187 2.331 277 HA ALA 36 HA ALA 36 5.822 -1.494 4.582 278 HB1 ALA 36 1HB ALA 36 3.895 -2.750 2.673 279 HB2 ALA 36 2HB ALA 36 4.710 -1.198 2.413 280 HB3 ALA 36 3HB ALA 36 3.590 -1.391 3.772 281 H VAL 37 H VAL 37 5.176 -4.831 3.685 282 HA VAL 37 HA VAL 37 3.586 -5.461 5.943 283 HB VAL 37 HB VAL 37 5.357 -7.369 4.296 284 HG11 VAL 37 1HG1 VAL 37 3.193 -8.016 6.313 285 HG12 VAL 37 2HG1 VAL 37 4.879 -8.212 6.605 286 HG13 VAL 37 3HG1 VAL 37 4.096 -9.185 5.354 287 HG21 VAL 37 3HG2 VAL 37 3.530 -6.318 2.987 288 HG22 VAL 37 1HG2 VAL 37 2.359 -6.861 4.181 289 HG23 VAL 37 2HG2 VAL 37 3.249 -8.037 3.233 290 H ASP 38 H ASP 38 6.996 -5.576 5.220 291 HA ASP 38 HA ASP 38 7.941 -6.565 7.673 292 HB2 ASP 38 2HB ASP 38 9.371 -6.419 5.702 293 HB3 ASP 38 1HB ASP 38 9.232 -4.670 5.697 294 H ALA 39 H ALA 39 7.075 -3.347 6.600 295 HA ALA 39 HA ALA 39 8.146 -1.876 8.724 296 HB1 ALA 39 1HB ALA 39 7.454 -0.882 6.602 297 HB2 ALA 39 2HB ALA 39 6.721 -0.059 7.982 298 HB3 ALA 39 3HB ALA 39 5.768 -1.188 7.024 299 H ALA 40 H ALA 40 5.054 -3.569 8.524 300 HA ALA 40 HA ALA 40 4.543 -2.658 11.301 301 HB1 ALA 40 1HB ALA 40 2.166 -2.451 10.837 302 HB2 ALA 40 2HB ALA 40 2.453 -2.942 9.165 303 HB3 ALA 40 3HB ALA 40 3.111 -1.418 9.758 304 H GLY 41 H GLY 41 4.852 -5.331 9.288 305 HA2 GLY 41 2HA GLY 41 4.613 -7.508 9.604 306 HA3 GLY 41 1HA GLY 41 4.131 -7.306 11.252 307 H LEU 42 H LEU 42 2.978 -6.497 8.093 308 HA LEU 42 HA LEU 42 0.210 -6.823 8.657 309 HB2 LEU 42 2HB LEU 42 1.377 -5.346 6.930 310 HB3 LEU 42 1HB LEU 42 1.684 -6.794 6.020 311 HG LEU 42 HG LEU 42 -0.092 -5.436 5.131 312 HD11 LEU 42 1HD1 LEU 42 -1.069 -8.085 6.130 313 HD12 LEU 42 2HD1 LEU 42 -0.189 -7.776 4.635 314 HD13 LEU 42 3HD1 LEU 42 -1.822 -7.147 4.846 315 HD21 LEU 42 3HD2 LEU 42 -2.253 -5.236 6.244 316 HD22 LEU 42 1HD2 LEU 42 -0.940 -4.461 7.136 317 HD23 LEU 42 2HD2 LEU 42 -1.568 -6.018 7.673 318 H HIS 43 H HIS 43 -1.082 -8.667 7.916 319 HA HIS 43 HA HIS 43 0.431 -11.124 8.072 320 HB2 HIS 43 2HB HIS 43 -2.566 -10.732 7.924 321 HB3 HIS 43 1HB HIS 43 -1.758 -12.267 8.172 322 HD1 HIS 43 1HD HIS 43 -3.015 -9.340 9.992 323 HD2 HIS 43 2HD HIS 43 -0.322 -12.424 10.714 324 HE1 HIS 43 1HE HIS 43 -2.661 -9.362 12.452 325 HE2 HIS 43 2HE HIS 43 -0.919 -11.082 12.861 326 H SER 44 H SER 44 -2.046 -9.959 5.800 327 HA SER 44 HA SER 44 -0.581 -10.750 3.536 328 HB2 SER 44 2HB SER 44 -2.197 -12.521 2.752 329 HB3 SER 44 1HB SER 44 -1.212 -13.011 4.126 330 HG SER 44 HG SER 44 -3.937 -12.518 3.945 331 H LEU 45 H LEU 45 -1.508 -9.959 1.645 332 HA LEU 45 HA LEU 45 -3.767 -8.138 2.117 333 HB2 LEU 45 2HB LEU 45 -1.582 -7.911 0.061 334 HB3 LEU 45 1HB LEU 45 -2.921 -6.834 0.247 335 HG LEU 45 HG LEU 45 -0.887 -7.216 2.441 336 HD11 LEU 45 1HD1 LEU 45 -1.054 -5.042 0.346 337 HD12 LEU 45 2HD1 LEU 45 0.183 -6.300 0.433 338 HD13 LEU 45 3HD1 LEU 45 0.066 -5.106 1.716 339 HD21 LEU 45 3HD2 LEU 45 -2.995 -5.110 1.934 340 HD22 LEU 45 1HD2 LEU 45 -1.853 -5.130 3.277 341 HD23 LEU 45 2HD2 LEU 45 -3.087 -6.384 3.149 342 H GLU 46 H GLU 46 -5.320 -7.948 0.676 343 HA GLU 46 HA GLU 46 -5.426 -9.553 -1.709 344 HB2 GLU 46 2HB GLU 46 -7.726 -10.363 -1.103 345 HB3 GLU 46 1HB GLU 46 -6.476 -11.041 -0.074 346 HG2 GLU 46 2HG GLU 46 -7.055 -9.447 1.686 347 HG3 GLU 46 1HG GLU 46 -8.282 -8.740 0.639 348 H GLU 47 H GLU 47 -7.105 -8.664 -3.148 349 HA GLU 47 HA GLU 47 -7.153 -5.827 -2.829 350 HB2 GLU 47 2HB GLU 47 -8.253 -5.738 -5.027 351 HB3 GLU 47 1HB GLU 47 -6.791 -6.697 -5.069 352 HG2 GLU 47 2HG GLU 47 -9.545 -7.885 -4.850 353 HG3 GLU 47 1HG GLU 47 -8.748 -7.552 -6.385 354 H GLY 48 H GLY 48 -9.013 -4.520 -2.983 355 HA2 GLY 48 2HA GLY 48 -11.292 -4.006 -2.577 356 HA3 GLY 48 1HA GLY 48 -11.583 -5.704 -2.234 357 H GLN 49 H GLN 49 -8.916 -4.771 -0.548 358 HA GLN 49 HA GLN 49 -10.402 -4.541 1.933 359 HB2 GLN 49 2HB GLN 49 -7.533 -4.999 1.219 360 HB3 GLN 49 1HB GLN 49 -8.036 -4.645 2.863 361 HG2 GLN 49 2HG GLN 49 -9.388 -6.782 1.384 362 HG3 GLN 49 1HG GLN 49 -7.756 -7.125 2.004 363 HE21 GLN 49 1HE2 GLN 49 -10.110 -5.043 3.689 364 HE22 GLN 49 2HE2 GLN 49 -10.362 -6.173 4.950 365 H ASP 50 H ASP 50 -10.505 -2.722 3.073 366 HA ASP 50 HA ASP 50 -9.250 -0.364 1.955 367 HB2 ASP 50 2HB ASP 50 -11.067 -0.631 4.382 368 HB3 ASP 50 1HB ASP 50 -10.429 0.882 3.735 369 H VAL 51 H VAL 51 -7.390 0.328 2.593 370 HA VAL 51 HA VAL 51 -6.334 -0.785 5.055 371 HB VAL 51 HB VAL 51 -5.591 -2.029 3.088 372 HG11 VAL 51 1HG1 VAL 51 -5.497 -0.338 1.362 373 HG12 VAL 51 2HG1 VAL 51 -3.940 -1.099 1.497 374 HG13 VAL 51 3HG1 VAL 51 -4.187 0.496 2.186 375 HG21 VAL 51 3HG2 VAL 51 -3.385 -0.585 4.547 376 HG22 VAL 51 1HG2 VAL 51 -3.206 -2.133 3.692 377 HG23 VAL 51 2HG2 VAL 51 -4.296 -1.989 5.086 378 H ILE 52 H ILE 52 -4.726 0.364 5.983 379 HA ILE 52 HA ILE 52 -4.664 3.245 5.394 380 HB ILE 52 HB ILE 52 -4.270 1.774 8.021 381 HG12 ILE 52 2HG1 ILE 52 -6.622 3.465 7.162 382 HG13 ILE 52 1HG1 ILE 52 -6.601 1.708 7.121 383 HG21 ILE 52 1HG2 ILE 52 -4.364 4.018 9.041 384 HG22 ILE 52 2HG2 ILE 52 -4.493 4.737 7.442 385 HG23 ILE 52 3HG2 ILE 52 -3.023 3.884 7.905 386 HD11 ILE 52 3HD1 ILE 52 -6.327 1.644 9.522 387 HD12 ILE 52 1HD1 ILE 52 -7.768 2.529 9.050 388 HD13 ILE 52 2HD1 ILE 52 -6.332 3.416 9.596 389 H PHE 53 H PHE 53 -2.630 4.063 5.108 390 HA PHE 53 HA PHE 53 -0.293 2.576 6.008 391 HB2 PHE 53 2HB PHE 53 0.760 2.752 3.771 392 HB3 PHE 53 1HB PHE 53 -0.520 1.569 3.785 393 HD1 PHE 53 1HD PHE 53 -2.729 2.207 2.750 394 HD2 PHE 53 2HD PHE 53 0.739 4.639 2.377 395 HE1 PHE 53 1HE PHE 53 -3.733 3.343 0.851 396 HE2 PHE 53 2HE PHE 53 -0.266 5.778 0.465 397 HZ PHE 53 HZ PHE 53 -2.492 5.136 -0.310 398 H ASP 54 H ASP 54 1.741 3.878 5.245 399 HA ASP 54 HA ASP 54 1.099 6.730 5.358 400 HB2 ASP 54 2HB ASP 54 3.655 5.345 6.252 401 HB3 ASP 54 1HB ASP 54 3.347 7.071 6.313 402 H LEU 55 H LEU 55 2.303 8.008 3.926 403 HA LEU 55 HA LEU 55 3.750 6.517 1.895 404 HB2 LEU 55 2HB LEU 55 1.567 6.688 0.976 405 HB3 LEU 55 1HB LEU 55 1.467 8.364 1.468 406 HG LEU 55 HG LEU 55 2.952 9.048 -0.306 407 HD11 LEU 55 1HD1 LEU 55 4.446 7.134 -0.319 408 HD12 LEU 55 2HD1 LEU 55 3.839 7.489 -1.931 409 HD13 LEU 55 3HD1 LEU 55 3.180 6.132 -1.018 410 HD21 LEU 55 3HD2 LEU 55 1.601 8.427 -2.238 411 HD22 LEU 55 1HD2 LEU 55 0.597 8.814 -0.842 412 HD23 LEU 55 2HD2 LEU 55 0.850 7.130 -1.308 413 H GLU 56 H GLU 56 5.411 7.354 1.244 414 HA GLU 56 HA GLU 56 5.886 10.202 1.352 415 HB2 GLU 56 2HB GLU 56 7.794 8.053 2.266 416 HB3 GLU 56 1HB GLU 56 8.274 9.715 1.950 417 HG2 GLU 56 2HG GLU 56 6.660 10.431 3.673 418 HG3 GLU 56 1HG GLU 56 6.364 8.733 4.052 419 H GLU 57 H GLU 57 6.889 10.916 -0.435 420 HA GLU 57 HA GLU 57 6.921 8.950 -2.509 421 HB2 GLU 57 2HB GLU 57 7.201 10.847 -4.102 422 HB3 GLU 57 1HB GLU 57 5.734 10.883 -3.149 423 HG2 GLU 57 2HG GLU 57 8.191 12.506 -2.578 424 HG3 GLU 57 1HG GLU 57 6.804 13.036 -3.534 425 H LYS 58 H LYS 58 8.480 8.378 -3.748 426 HA LYS 58 HA LYS 58 11.201 8.727 -2.712 427 HB2 LYS 58 2HB LYS 58 10.192 6.438 -2.884 428 HB3 LYS 58 1HB LYS 58 9.994 6.701 -4.588 429 HG2 LYS 58 2HG LYS 58 12.410 6.765 -4.882 430 HG3 LYS 58 1HG LYS 58 12.628 6.562 -3.139 431 HD2 LYS 58 2HD LYS 58 11.446 4.421 -3.239 432 HD3 LYS 58 1HD LYS 58 11.246 4.618 -4.979 433 HE2 LYS 58 2HE LYS 58 13.878 4.486 -3.547 434 HE3 LYS 58 1HE LYS 58 13.100 3.112 -4.348 435 HZ1 LYS 58 3HZ LYS 58 13.243 4.405 -6.435 436 HZ2 LYS 58 1HZ LYS 58 14.734 4.033 -5.779 437 HZ3 LYS 58 2HZ LYS 58 14.134 5.595 -5.630 438 H GLN 59 H GLN 59 11.074 10.851 -3.678 439 HA GLN 59 HA GLN 59 11.528 12.445 -5.152 440 HB2 GLN 59 2HB GLN 59 13.522 10.905 -5.629 441 HB3 GLN 59 1HB GLN 59 12.620 10.280 -6.991 442 HG2 GLN 59 2HG GLN 59 13.523 13.152 -6.664 443 HG3 GLN 59 1HG GLN 59 14.357 11.940 -7.613 444 HE21 GLN 59 1HE2 GLN 59 11.699 14.149 -7.454 445 HE22 GLN 59 2HE2 GLN 59 11.182 13.952 -9.086 446 H GLY 60 H GLY 60 10.724 9.867 -7.443 447 HA2 GLY 60 2HA GLY 60 8.394 11.490 -8.246 448 HA3 GLY 60 1HA GLY 60 9.342 10.534 -9.375 449 H LYS 61 H LYS 61 9.470 8.451 -7.085 450 HA LYS 61 HA LYS 61 7.080 7.001 -7.963 451 HB2 LYS 61 2HB LYS 61 9.338 6.078 -6.163 452 HB3 LYS 61 1HB LYS 61 8.082 5.083 -6.843 453 HG2 LYS 61 2HG LYS 61 10.142 6.512 -8.504 454 HG3 LYS 61 1HG LYS 61 10.395 4.911 -7.839 455 HD2 LYS 61 2HD LYS 61 9.734 4.656 -10.126 456 HD3 LYS 61 1HD LYS 61 8.389 4.145 -9.132 457 HE2 LYS 61 2HE LYS 61 7.187 6.154 -9.606 458 HE3 LYS 61 1HE LYS 61 8.608 6.877 -10.386 459 HZ1 LYS 61 3HZ LYS 61 6.998 6.053 -11.994 460 HZ2 LYS 61 1HZ LYS 61 7.092 4.501 -11.337 461 HZ3 LYS 61 2HZ LYS 61 8.429 5.188 -12.093 462 H ALA 62 H ALA 62 5.844 5.794 -6.278 463 HA ALA 62 HA ALA 62 5.751 7.182 -3.699 464 HB1 ALA 62 1HB ALA 62 4.025 8.180 -5.119 465 HB2 ALA 62 2HB ALA 62 3.276 7.224 -3.841 466 HB3 ALA 62 3HB ALA 62 3.379 6.581 -5.475 467 H TYR 63 H TYR 63 5.956 5.663 -2.118 468 HA TYR 63 HA TYR 63 4.862 3.013 -2.693 469 HB2 TYR 63 2HB TYR 63 6.665 2.003 -1.380 470 HB3 TYR 63 1HB TYR 63 7.231 2.828 -2.819 471 HD1 TYR 63 2HD TYR 63 8.321 5.172 -2.465 472 HD2 TYR 63 1HD TYR 63 7.517 2.492 0.724 473 HE1 TYR 63 2HE TYR 63 9.911 6.407 -1.009 474 HE2 TYR 63 1HE TYR 63 9.087 3.714 2.161 475 HH TYR 63 HH TYR 63 10.325 6.763 1.320 476 H ALA 64 H ALA 64 3.718 2.104 -1.283 477 HA ALA 64 HA ALA 64 2.827 3.584 1.128 478 HB1 ALA 64 1HB ALA 64 1.017 1.941 1.184 479 HB2 ALA 64 2HB ALA 64 1.739 1.066 -0.162 480 HB3 ALA 64 3HB ALA 64 1.095 2.703 -0.389 481 H VAL 65 H VAL 65 3.283 3.086 3.063 482 HA VAL 65 HA VAL 65 4.423 0.485 3.735 483 HB VAL 65 HB VAL 65 6.178 1.571 5.186 484 HG11 VAL 65 1HG1 VAL 65 6.819 0.582 3.079 485 HG12 VAL 65 2HG1 VAL 65 7.749 2.065 3.341 486 HG13 VAL 65 3HG1 VAL 65 6.370 2.060 2.237 487 HG21 VAL 65 3HG2 VAL 65 5.469 4.052 3.603 488 HG22 VAL 65 1HG2 VAL 65 6.859 3.886 4.671 489 HG23 VAL 65 2HG2 VAL 65 5.226 3.815 5.332 490 H ASN 66 H ASN 66 4.646 0.284 6.152 491 HA ASN 66 HA ASN 66 3.615 0.127 8.171 492 HB2 ASN 66 2HB ASN 66 4.374 2.611 8.216 493 HB3 ASN 66 1HB ASN 66 2.760 2.972 7.735 494 HD21 ASN 66 1HD2 ASN 66 2.533 4.185 9.644 495 HD22 ASN 66 2HD2 ASN 66 2.114 3.436 11.146 496 H LEU 67 H LEU 67 2.178 -1.234 6.783 497 HA LEU 67 HA LEU 67 -0.367 -0.099 6.106 498 HB2 LEU 67 2HB LEU 67 0.482 -2.967 6.013 499 HB3 LEU 67 1HB LEU 67 -0.969 -2.291 5.325 500 HG LEU 67 HG LEU 67 1.863 -1.979 4.339 501 HD11 LEU 67 1HD1 LEU 67 0.715 -3.963 3.777 502 HD12 LEU 67 2HD1 LEU 67 0.936 -2.868 2.384 503 HD13 LEU 67 3HD1 LEU 67 -0.639 -2.960 3.213 504 HD21 LEU 67 3HD2 LEU 67 -0.595 -0.516 3.395 505 HD22 LEU 67 1HD2 LEU 67 0.985 -0.544 2.597 506 HD23 LEU 67 2HD2 LEU 67 0.827 0.200 4.182 507 H ARG 68 H ARG 68 -2.219 -0.477 6.998 508 HA ARG 68 HA ARG 68 -2.526 -2.312 9.242 509 HB2 ARG 68 2HB ARG 68 -1.954 -0.046 10.145 510 HB3 ARG 68 1HB ARG 68 -3.355 0.624 9.311 511 HG2 ARG 68 2HG ARG 68 -3.854 0.330 11.601 512 HG3 ARG 68 1HG ARG 68 -4.727 -0.925 10.714 513 HD2 ARG 68 2HD ARG 68 -3.652 -1.805 12.711 514 HD3 ARG 68 1HD ARG 68 -2.995 -2.523 11.225 515 HE ARG 68 HE ARG 68 -1.356 -0.399 11.806 516 HH11 ARG 68 1HH1 ARG 68 -2.295 -3.304 13.616 517 HH12 ARG 68 2HH1 ARG 68 -0.776 -3.446 14.387 518 HH21 ARG 68 1HH2 ARG 68 0.656 -0.611 12.880 519 HH22 ARG 68 2HH2 ARG 68 0.938 -1.904 13.968 520 H ILE 69 H ILE 69 -4.515 -3.402 8.840 521 HA ILE 69 HA ILE 69 -6.062 -2.329 6.706 522 HB ILE 69 HB ILE 69 -7.258 -4.444 6.783 523 HG12 ILE 69 2HG1 ILE 69 -7.006 -5.219 9.114 524 HG13 ILE 69 1HG1 ILE 69 -6.342 -6.362 7.966 525 HG21 ILE 69 1HG2 ILE 69 -5.502 -5.834 5.839 526 HG22 ILE 69 2HG2 ILE 69 -4.307 -4.658 6.410 527 HG23 ILE 69 3HG2 ILE 69 -5.544 -4.175 5.239 528 HD11 ILE 69 3HD1 ILE 69 -4.983 -6.341 9.857 529 HD12 ILE 69 1HD1 ILE 69 -4.770 -4.609 9.841 530 HD13 ILE 69 2HD1 ILE 69 -4.067 -5.621 8.554 531 H LYS 70 H LYS 70 -8.084 -1.772 6.814 532 HA LYS 70 HA LYS 70 -9.130 -1.031 9.388 533 HB2 LYS 70 2HB LYS 70 -10.344 -0.824 6.635 534 HB3 LYS 70 1HB LYS 70 -11.112 -0.197 8.095 535 HG2 LYS 70 2HG LYS 70 -9.184 1.308 8.350 536 HG3 LYS 70 1HG LYS 70 -8.519 0.674 6.838 537 HD2 LYS 70 2HD LYS 70 -9.665 2.749 6.356 538 HD3 LYS 70 1HD LYS 70 -10.609 1.415 5.695 539 HE2 LYS 70 2HE LYS 70 -12.073 1.496 7.694 540 HE3 LYS 70 1HE LYS 70 -11.146 2.875 8.282 541 HZ1 LYS 70 3HZ LYS 70 -13.147 3.636 7.171 542 HZ2 LYS 70 1HZ LYS 70 -12.757 2.754 5.796 543 HZ3 LYS 70 2HZ LYS 70 -11.821 4.052 6.213 Start of MODEL 12 1 H1 MET 1 1HT MET 1 5.862 10.730 2.913 2 H2 MET 1 2HT MET 1 6.094 10.026 4.406 3 H3 MET 1 3HT MET 1 7.416 10.679 3.600 4 HA MET 1 HA MET 1 6.662 12.038 5.430 5 HB2 MET 1 2HB MET 1 6.029 13.279 2.740 6 HB3 MET 1 1HB MET 1 6.251 14.177 4.230 7 HG2 MET 1 2HG MET 1 8.550 13.396 4.384 8 HG3 MET 1 1HG MET 1 8.338 12.461 2.908 9 HE1 MET 1 2HE MET 1 10.698 14.581 3.410 10 HE2 MET 1 3HE MET 1 10.744 15.390 1.844 11 HE3 MET 1 1HE MET 1 10.540 13.641 1.924 12 H ALA 2 H ALA 2 4.035 11.202 3.177 13 HA ALA 2 HA ALA 2 2.082 12.602 4.760 14 HB1 ALA 2 1HB ALA 2 0.467 11.631 3.187 15 HB2 ALA 2 2HB ALA 2 1.743 10.629 2.496 16 HB3 ALA 2 3HB ALA 2 1.811 12.382 2.328 17 H THR 3 H THR 3 0.732 11.732 6.271 18 HA THR 3 HA THR 3 1.173 8.899 6.954 19 HB THR 3 HB THR 3 0.820 9.581 9.340 20 HG1 THR 3 1HG THR 3 0.249 11.894 8.187 21 HG21 THR 3 3HG2 THR 3 3.188 10.863 7.947 22 HG22 THR 3 1HG2 THR 3 3.092 9.184 8.482 23 HG23 THR 3 2HG2 THR 3 3.091 10.488 9.669 24 H ASN 4 H ASN 4 -0.447 7.717 7.704 25 HA ASN 4 HA ASN 4 -2.509 6.869 7.805 26 HB2 ASN 4 2HB ASN 4 -3.258 9.617 8.831 27 HB3 ASN 4 1HB ASN 4 -4.348 8.239 8.844 28 HD21 ASN 4 1HD2 ASN 4 -3.325 9.792 11.048 29 HD22 ASN 4 2HD2 ASN 4 -2.494 8.684 12.085 30 H ILE 5 H ILE 5 -2.462 6.568 5.638 31 HA ILE 5 HA ILE 5 -4.273 8.285 4.098 32 HB ILE 5 HB ILE 5 -2.354 6.158 3.154 33 HG12 ILE 5 2HG1 ILE 5 -2.128 9.166 3.296 34 HG13 ILE 5 1HG1 ILE 5 -1.174 7.907 4.086 35 HG21 ILE 5 1HG2 ILE 5 -4.242 6.439 1.642 36 HG22 ILE 5 2HG2 ILE 5 -2.753 7.038 0.916 37 HG23 ILE 5 3HG2 ILE 5 -3.947 8.183 1.548 38 HD11 ILE 5 3HD1 ILE 5 -0.246 7.202 2.073 39 HD12 ILE 5 1HD1 ILE 5 -0.015 8.952 2.206 40 HD13 ILE 5 2HD1 ILE 5 -1.287 8.296 1.146 41 H VAL 6 H VAL 6 -5.943 7.421 3.000 42 HA VAL 6 HA VAL 6 -6.845 4.780 3.886 43 HB VAL 6 HB VAL 6 -8.413 7.161 2.906 44 HG11 VAL 6 1HG1 VAL 6 -9.400 5.140 2.002 45 HG12 VAL 6 2HG1 VAL 6 -10.452 5.802 3.258 46 HG13 VAL 6 3HG1 VAL 6 -9.435 4.394 3.600 47 HG21 VAL 6 3HG2 VAL 6 -8.386 5.723 5.553 48 HG22 VAL 6 1HG2 VAL 6 -9.454 7.062 5.135 49 HG23 VAL 6 2HG2 VAL 6 -7.710 7.320 5.227 50 H GLY 7 H GLY 7 -7.082 3.283 2.442 51 HA2 GLY 7 2HA GLY 7 -8.301 3.706 0.085 52 HA3 GLY 7 1HA GLY 7 -6.653 3.569 -0.403 53 H LYS 8 H LYS 8 -8.365 1.960 -1.341 54 HA LYS 8 HA LYS 8 -8.410 -0.495 0.200 55 HB2 LYS 8 2HB LYS 8 -10.476 0.307 -0.732 56 HB3 LYS 8 1HB LYS 8 -9.749 0.407 -2.325 57 HG2 LYS 8 2HG LYS 8 -9.590 -1.985 -2.463 58 HG3 LYS 8 1HG LYS 8 -10.169 -2.158 -0.800 59 HD2 LYS 8 2HD LYS 8 -11.743 -0.840 -3.006 60 HD3 LYS 8 1HD LYS 8 -11.939 -2.539 -2.562 61 HE2 LYS 8 2HE LYS 8 -12.652 -1.923 -0.341 62 HE3 LYS 8 1HE LYS 8 -12.300 -0.227 -0.636 63 HZ1 LYS 8 3HZ LYS 8 -14.375 -1.786 -2.081 64 HZ2 LYS 8 1HZ LYS 8 -14.053 -0.109 -2.194 65 HZ3 LYS 8 2HZ LYS 8 -14.630 -0.762 -0.767 66 H VAL 9 H VAL 9 -7.244 -2.181 -0.345 67 HA VAL 9 HA VAL 9 -4.968 -1.991 -1.935 68 HB VAL 9 HB VAL 9 -6.443 -4.540 -1.127 69 HG11 VAL 9 1HG1 VAL 9 -4.797 -4.981 -2.892 70 HG12 VAL 9 2HG1 VAL 9 -4.230 -5.632 -1.350 71 HG13 VAL 9 3HG1 VAL 9 -3.567 -4.122 -1.963 72 HG21 VAL 9 3HG2 VAL 9 -4.204 -3.081 0.274 73 HG22 VAL 9 1HG2 VAL 9 -4.886 -4.635 0.759 74 HG23 VAL 9 2HG2 VAL 9 -5.882 -3.180 0.814 75 H LYS 10 H LYS 10 -4.927 -1.668 -3.942 76 HA LYS 10 HA LYS 10 -7.134 -2.062 -5.705 77 HB2 LYS 10 2HB LYS 10 -5.577 -0.163 -5.742 78 HB3 LYS 10 1HB LYS 10 -4.271 -1.244 -6.110 79 HG2 LYS 10 2HG LYS 10 -5.202 -1.660 -8.315 80 HG3 LYS 10 1HG LYS 10 -6.594 -0.639 -7.911 81 HD2 LYS 10 2HD LYS 10 -5.200 1.278 -7.598 82 HD3 LYS 10 1HD LYS 10 -3.752 0.305 -7.777 83 HE2 LYS 10 2HE LYS 10 -4.169 1.633 -9.691 84 HE3 LYS 10 1HE LYS 10 -4.260 -0.083 -10.075 85 HZ1 LYS 10 3HZ LYS 10 -6.656 1.634 -9.583 86 HZ2 LYS 10 1HZ LYS 10 -6.665 0.050 -10.133 87 HZ3 LYS 10 2HZ LYS 10 -6.083 1.272 -11.125 88 H TRP 11 H TRP 11 -3.956 -3.476 -5.267 89 HA TRP 11 HA TRP 11 -4.784 -6.074 -5.687 90 HB2 TRP 11 2HB TRP 11 -3.598 -6.698 -7.738 91 HB3 TRP 11 1HB TRP 11 -4.900 -5.612 -8.114 92 HD1 TRP 11 HD TRP 11 -4.134 -3.132 -9.002 93 HE1 TRP 11 1HE TRP 11 -1.959 -2.363 -10.128 94 HE3 TRP 11 3HE TRP 11 -1.211 -7.047 -7.725 95 HZ2 TRP 11 2HZ TRP 11 0.703 -3.326 -10.421 96 HZ3 TRP 11 3HZ TRP 11 1.166 -7.083 -8.457 97 HH2 TRP 11 HH TRP 11 2.088 -5.252 -9.781 98 H TYR 12 H TYR 12 -3.003 -7.562 -5.633 99 HA TYR 12 HA TYR 12 -0.424 -6.581 -4.994 100 HB2 TYR 12 2HB TYR 12 -1.496 -6.050 -2.839 101 HB3 TYR 12 1HB TYR 12 -2.108 -7.696 -2.730 102 HD1 TYR 12 2HD TYR 12 1.029 -5.707 -2.794 103 HD2 TYR 12 1HD TYR 12 -0.790 -9.413 -1.783 104 HE1 TYR 12 2HE TYR 12 3.102 -6.413 -1.666 105 HE2 TYR 12 1HE TYR 12 1.268 -10.126 -0.658 106 HH TYR 12 HH TYR 12 3.738 -8.003 0.123 107 H ASN 13 H ASN 13 0.919 -8.060 -5.612 108 HA ASN 13 HA ASN 13 -0.065 -10.802 -5.889 109 HB2 ASN 13 2HB ASN 13 1.007 -9.694 -7.886 110 HB3 ASN 13 1HB ASN 13 2.489 -9.580 -6.958 111 HD21 ASN 13 1HD2 ASN 13 0.291 -11.791 -8.549 112 HD22 ASN 13 2HD2 ASN 13 1.381 -13.114 -8.560 113 H SER 14 H SER 14 0.473 -12.202 -4.369 114 HA SER 14 HA SER 14 1.982 -11.347 -2.138 115 HB2 SER 14 2HB SER 14 -0.029 -12.797 -2.004 116 HB3 SER 14 1HB SER 14 0.889 -14.093 -2.760 117 HG SER 14 HG SER 14 2.172 -14.242 -0.961 118 H THR 15 H THR 15 2.806 -13.136 -4.971 119 HA THR 15 HA THR 15 5.149 -14.296 -3.747 120 HB THR 15 HB THR 15 4.350 -14.292 -6.669 121 HG1 THR 15 1HG THR 15 3.716 -15.988 -4.473 122 HG21 THR 15 3HG2 THR 15 6.696 -14.889 -6.230 123 HG22 THR 15 1HG2 THR 15 5.775 -16.300 -6.751 124 HG23 THR 15 2HG2 THR 15 6.171 -16.085 -5.048 125 H LYS 16 H LYS 16 4.465 -11.811 -6.219 126 HA LYS 16 HA LYS 16 7.272 -11.175 -6.386 127 HB2 LYS 16 2HB LYS 16 4.891 -9.884 -7.717 128 HB3 LYS 16 1HB LYS 16 6.568 -9.444 -8.015 129 HG2 LYS 16 2HG LYS 16 7.004 -11.714 -8.840 130 HG3 LYS 16 1HG LYS 16 5.308 -12.124 -8.568 131 HD2 LYS 16 2HD LYS 16 4.618 -10.433 -10.175 132 HD3 LYS 16 1HD LYS 16 6.298 -9.945 -10.407 133 HE2 LYS 16 2HE LYS 16 5.600 -11.376 -12.241 134 HE3 LYS 16 1HE LYS 16 6.809 -12.188 -11.257 135 HZ1 LYS 16 3HZ LYS 16 3.874 -12.682 -11.131 136 HZ2 LYS 16 1HZ LYS 16 5.033 -13.466 -10.194 137 HZ3 LYS 16 2HZ LYS 16 5.019 -13.693 -11.841 138 H ASN 17 H ASN 17 4.784 -10.272 -4.324 139 HA ASN 17 HA ASN 17 4.654 -8.780 -2.606 140 HB2 ASN 17 2HB ASN 17 7.604 -8.545 -3.183 141 HB3 ASN 17 1HB ASN 17 6.827 -7.781 -1.806 142 HD21 ASN 17 1HD2 ASN 17 4.974 -9.994 -1.277 143 HD22 ASN 17 2HD2 ASN 17 5.940 -11.272 -0.664 144 H PHE 18 H PHE 18 4.104 -7.844 -5.318 145 HA PHE 18 HA PHE 18 4.534 -4.967 -4.882 146 HB2 PHE 18 2HB PHE 18 4.375 -6.390 -7.552 147 HB3 PHE 18 1HB PHE 18 4.402 -4.651 -7.340 148 HD1 PHE 18 1HD PHE 18 6.492 -3.901 -5.778 149 HD2 PHE 18 2HD PHE 18 6.298 -7.341 -8.254 150 HE1 PHE 18 1HE PHE 18 8.932 -3.940 -5.905 151 HE2 PHE 18 2HE PHE 18 8.754 -7.392 -8.387 152 HZ PHE 18 HZ PHE 18 10.075 -5.685 -7.215 153 H GLY 19 H GLY 19 2.778 -3.628 -5.459 154 HA2 GLY 19 2HA GLY 19 0.491 -4.549 -6.761 155 HA3 GLY 19 1HA GLY 19 0.242 -4.597 -5.017 156 H PHE 20 H PHE 20 -1.396 -2.998 -5.717 157 HA PHE 20 HA PHE 20 -0.301 -0.341 -5.289 158 HB2 PHE 20 2HB PHE 20 -2.096 -1.063 -7.586 159 HB3 PHE 20 1HB PHE 20 -2.104 0.541 -6.852 160 HD1 PHE 20 1HD PHE 20 -0.089 -1.877 -8.790 161 HD2 PHE 20 2HD PHE 20 -0.349 2.091 -7.293 162 HE1 PHE 20 1HE PHE 20 1.786 -1.209 -10.236 163 HE2 PHE 20 2HE PHE 20 1.520 2.766 -8.729 164 HZ PHE 20 HZ PHE 20 2.593 1.120 -10.202 165 H ILE 21 H ILE 21 -2.049 1.216 -4.791 166 HA ILE 21 HA ILE 21 -4.384 0.030 -3.485 167 HB ILE 21 HB ILE 21 -2.449 1.859 -1.988 168 HG12 ILE 21 2HG1 ILE 21 -2.991 -1.090 -1.554 169 HG13 ILE 21 1HG1 ILE 21 -1.533 -0.429 -2.261 170 HG21 ILE 21 1HG2 ILE 21 -4.736 2.210 -1.343 171 HG22 ILE 21 2HG2 ILE 21 -3.873 1.360 -0.051 172 HG23 ILE 21 3HG2 ILE 21 -4.963 0.478 -1.111 173 HD11 ILE 21 3HD1 ILE 21 -2.469 0.113 0.552 174 HD12 ILE 21 1HD1 ILE 21 -0.982 0.692 -0.185 175 HD13 ILE 21 2HD1 ILE 21 -1.205 -1.032 0.090 176 H GLU 22 H GLU 22 -6.157 1.401 -3.728 177 HA GLU 22 HA GLU 22 -5.685 4.257 -3.968 178 HB2 GLU 22 2HB GLU 22 -7.086 4.533 -5.926 179 HB3 GLU 22 1HB GLU 22 -5.842 3.358 -6.323 180 HG2 GLU 22 2HG GLU 22 -7.421 1.542 -6.036 181 HG3 GLU 22 1HG GLU 22 -8.636 2.713 -5.498 182 H GLN 23 H GLN 23 -7.435 5.404 -3.055 183 HA GLN 23 HA GLN 23 -9.259 3.652 -1.661 184 HB2 GLN 23 2HB GLN 23 -10.159 5.593 -0.485 185 HB3 GLN 23 1HB GLN 23 -8.410 5.605 -0.387 186 HG2 GLN 23 2HG GLN 23 -8.313 7.261 -2.089 187 HG3 GLN 23 1HG GLN 23 -10.071 7.270 -2.243 188 HE21 GLN 23 1HE2 GLN 23 -7.350 8.154 -0.285 189 HE22 GLN 23 2HE2 GLN 23 -8.195 9.193 0.779 190 H ASP 24 H ASP 24 -11.455 3.924 -1.676 191 HA ASP 24 HA ASP 24 -12.559 3.562 -4.164 192 HB2 ASP 24 2HB ASP 24 -13.858 4.269 -1.559 193 HB3 ASP 24 1HB ASP 24 -14.742 3.846 -3.012 194 H ASN 25 H ASN 25 -12.105 6.635 -2.490 195 HA ASN 25 HA ASN 25 -13.970 8.065 -4.049 196 HB2 ASN 25 2HB ASN 25 -11.629 8.956 -2.367 197 HB3 ASN 25 1HB ASN 25 -12.901 9.997 -2.987 198 HD21 ASN 25 1HD2 ASN 25 -13.372 10.583 -0.951 199 HD22 ASN 25 2HD2 ASN 25 -14.281 9.619 0.174 200 H GLY 26 H GLY 26 -11.134 6.599 -5.018 201 HA2 GLY 26 2HA GLY 26 -10.048 6.893 -7.076 202 HA3 GLY 26 1HA GLY 26 -10.765 8.500 -7.207 203 H GLY 27 H GLY 27 -8.784 6.849 -4.849 204 HA2 GLY 27 2HA GLY 27 -7.551 9.246 -3.957 205 HA3 GLY 27 1HA GLY 27 -7.061 7.649 -3.466 206 H LYS 28 H LYS 28 -5.211 6.770 -4.385 207 HA LYS 28 HA LYS 28 -3.715 8.624 -6.099 208 HB2 LYS 28 2HB LYS 28 -2.700 7.114 -3.711 209 HB3 LYS 28 1HB LYS 28 -1.741 8.133 -4.772 210 HG2 LYS 28 2HG LYS 28 -3.058 10.068 -4.081 211 HG3 LYS 28 1HG LYS 28 -3.999 9.035 -3.003 212 HD2 LYS 28 2HD LYS 28 -1.928 8.433 -1.837 213 HD3 LYS 28 1HD LYS 28 -1.058 9.546 -2.905 214 HE2 LYS 28 2HE LYS 28 -3.289 10.327 -1.026 215 HE3 LYS 28 1HE LYS 28 -1.573 10.547 -0.687 216 HZ1 LYS 28 3HZ LYS 28 -2.580 12.579 -1.491 217 HZ2 LYS 28 1HZ LYS 28 -3.102 11.832 -2.896 218 HZ3 LYS 28 2HZ LYS 28 -1.449 12.020 -2.609 219 H ASP 29 H ASP 29 -1.681 7.506 -6.830 220 HA ASP 29 HA ASP 29 -2.125 4.665 -7.333 221 HB2 ASP 29 2HB ASP 29 -0.664 6.676 -9.058 222 HB3 ASP 29 1HB ASP 29 -0.595 4.934 -9.298 223 H VAL 30 H VAL 30 -1.193 4.205 -5.420 224 HA VAL 30 HA VAL 30 1.664 4.695 -5.399 225 HB VAL 30 HB VAL 30 0.753 5.986 -3.579 226 HG11 VAL 30 1HG1 VAL 30 -1.418 4.832 -3.358 227 HG12 VAL 30 2HG1 VAL 30 -0.546 5.167 -1.858 228 HG13 VAL 30 3HG1 VAL 30 -0.552 3.515 -2.506 229 HG21 VAL 30 3HG2 VAL 30 1.936 3.428 -2.560 230 HG22 VAL 30 1HG2 VAL 30 1.721 4.891 -1.609 231 HG23 VAL 30 2HG2 VAL 30 2.792 4.904 -3.012 232 H PHE 31 H PHE 31 2.947 3.000 -5.284 233 HA PHE 31 HA PHE 31 1.583 0.489 -5.382 234 HB2 PHE 31 2HB PHE 31 3.810 -0.469 -6.054 235 HB3 PHE 31 1HB PHE 31 3.111 0.698 -7.173 236 HD1 PHE 31 1HD PHE 31 5.765 0.035 -4.731 237 HD2 PHE 31 2HD PHE 31 4.253 2.755 -7.624 238 HE1 PHE 31 1HE PHE 31 7.901 1.239 -4.712 239 HE2 PHE 31 2HE PHE 31 6.391 3.960 -7.620 240 HZ PHE 31 HZ PHE 31 8.224 3.207 -6.158 241 H VAL 32 H VAL 32 1.842 -1.157 -4.123 242 HA VAL 32 HA VAL 32 3.047 -0.533 -1.550 243 HB VAL 32 HB VAL 32 0.638 -0.973 -1.411 244 HG11 VAL 32 1HG1 VAL 32 1.235 -3.672 -2.573 245 HG12 VAL 32 2HG1 VAL 32 0.301 -2.383 -3.331 246 HG13 VAL 32 3HG1 VAL 32 -0.312 -3.182 -1.883 247 HG21 VAL 32 3HG2 VAL 32 0.653 -2.775 0.252 248 HG22 VAL 32 1HG2 VAL 32 1.968 -1.637 0.519 249 HG23 VAL 32 2HG2 VAL 32 2.285 -3.205 -0.240 250 H HIS 33 H HIS 33 4.834 -1.438 -1.101 251 HA HIS 33 HA HIS 33 5.577 -4.010 -2.368 252 HB2 HIS 33 2HB HIS 33 7.083 -2.093 -2.963 253 HB3 HIS 33 1HB HIS 33 7.356 -1.833 -1.237 254 HD1 HIS 33 1HD HIS 33 7.430 -5.110 -3.175 255 HD2 HIS 33 2HD HIS 33 9.888 -2.705 -0.853 256 HE1 HIS 33 1HE HIS 33 9.407 -6.476 -2.665 257 HE2 HIS 33 2HE HIS 33 11.023 -4.918 -1.512 258 H LYS 34 H LYS 34 6.879 -5.432 -0.965 259 HA LYS 34 HA LYS 34 5.414 -5.883 1.356 260 HB2 LYS 34 2HB LYS 34 6.394 -7.746 0.215 261 HB3 LYS 34 1HB LYS 34 8.020 -7.138 0.508 262 HG2 LYS 34 2HG LYS 34 7.797 -7.531 2.868 263 HG3 LYS 34 1HG LYS 34 6.093 -7.928 2.672 264 HD2 LYS 34 2HD LYS 34 6.590 -9.799 1.438 265 HD3 LYS 34 1HD LYS 34 8.338 -9.449 1.427 266 HE2 LYS 34 2HE LYS 34 8.351 -9.662 3.892 267 HE3 LYS 34 1HE LYS 34 6.632 -10.032 3.871 268 HZ1 LYS 34 3HZ LYS 34 7.956 -12.049 4.049 269 HZ2 LYS 34 1HZ LYS 34 8.775 -11.680 2.637 270 HZ3 LYS 34 2HZ LYS 34 7.134 -12.021 2.586 271 H SER 35 H SER 35 8.224 -3.962 0.916 272 HA SER 35 HA SER 35 9.202 -3.787 3.514 273 HB2 SER 35 2HB SER 35 8.819 -1.512 1.561 274 HB3 SER 35 1HB SER 35 9.896 -1.485 2.955 275 HG SER 35 HG SER 35 10.477 -3.665 1.638 276 H ALA 36 H ALA 36 6.155 -2.656 2.301 277 HA ALA 36 HA ALA 36 5.511 -0.988 4.525 278 HB1 ALA 36 1HB ALA 36 3.684 -2.384 2.639 279 HB2 ALA 36 2HB ALA 36 4.517 -0.856 2.302 280 HB3 ALA 36 3HB ALA 36 3.352 -0.954 3.644 281 H VAL 37 H VAL 37 4.907 -4.328 3.599 282 HA VAL 37 HA VAL 37 3.364 -5.017 5.876 283 HB VAL 37 HB VAL 37 5.036 -6.830 4.040 284 HG11 VAL 37 1HG1 VAL 37 3.039 -7.646 6.177 285 HG12 VAL 37 2HG1 VAL 37 4.745 -7.745 6.365 286 HG13 VAL 37 3HG1 VAL 37 3.949 -8.717 5.117 287 HG21 VAL 37 3HG2 VAL 37 3.084 -5.758 2.949 288 HG22 VAL 37 1HG2 VAL 37 2.040 -6.366 4.231 289 HG23 VAL 37 2HG2 VAL 37 2.838 -7.494 3.154 290 H ASP 38 H ASP 38 6.783 -5.192 5.032 291 HA ASP 38 HA ASP 38 7.691 -6.402 7.390 292 HB2 ASP 38 2HB ASP 38 9.187 -4.449 5.620 293 HB3 ASP 38 1HB ASP 38 9.918 -5.443 6.862 294 H ALA 39 H ALA 39 6.721 -3.153 6.684 295 HA ALA 39 HA ALA 39 8.063 -1.934 8.862 296 HB1 ALA 39 1HB ALA 39 7.345 -0.684 6.886 297 HB2 ALA 39 2HB ALA 39 6.711 0.018 8.376 298 HB3 ALA 39 3HB ALA 39 5.664 -0.950 7.338 299 H ALA 40 H ALA 40 4.991 -3.564 8.611 300 HA ALA 40 HA ALA 40 4.574 -2.920 11.467 301 HB1 ALA 40 1HB ALA 40 2.193 -2.614 11.142 302 HB2 ALA 40 2HB ALA 40 2.369 -2.956 9.420 303 HB3 ALA 40 3HB ALA 40 3.100 -1.507 10.111 304 H GLY 41 H GLY 41 5.065 -5.340 9.380 305 HA2 GLY 41 2HA GLY 41 4.818 -7.546 9.362 306 HA3 GLY 41 1HA GLY 41 4.492 -7.527 11.060 307 H LEU 42 H LEU 42 2.896 -6.472 8.118 308 HA LEU 42 HA LEU 42 0.251 -7.110 8.979 309 HB2 LEU 42 2HB LEU 42 1.181 -5.453 7.167 310 HB3 LEU 42 1HB LEU 42 1.228 -6.858 6.139 311 HG LEU 42 HG LEU 42 -0.661 -5.495 5.689 312 HD11 LEU 42 1HD1 LEU 42 -1.497 -8.064 6.995 313 HD12 LEU 42 2HD1 LEU 42 -0.971 -7.857 5.328 314 HD13 LEU 42 3HD1 LEU 42 -2.486 -7.130 5.876 315 HD21 LEU 42 3HD2 LEU 42 -2.472 -5.158 7.300 316 HD22 LEU 42 1HD2 LEU 42 -0.932 -4.443 7.806 317 HD23 LEU 42 2HD2 LEU 42 -1.484 -5.948 8.539 318 H HIS 43 H HIS 43 -0.913 -9.091 8.446 319 HA HIS 43 HA HIS 43 0.823 -11.336 8.191 320 HB2 HIS 43 2HB HIS 43 -1.219 -11.432 9.591 321 HB3 HIS 43 1HB HIS 43 -2.196 -11.273 8.143 322 HD1 HIS 43 1HD HIS 43 -0.245 -13.755 10.123 323 HD2 HIS 43 2HD HIS 43 -2.394 -13.628 6.569 324 HE1 HIS 43 1HE HIS 43 -0.597 -16.139 9.458 325 HE2 HIS 43 2HE HIS 43 -2.158 -16.011 7.495 326 H SER 44 H SER 44 -1.856 -10.278 6.023 327 HA SER 44 HA SER 44 -0.379 -10.895 3.669 328 HB2 SER 44 2HB SER 44 -2.674 -12.740 4.435 329 HB3 SER 44 1HB SER 44 -1.886 -12.737 2.860 330 HG SER 44 HG SER 44 -0.019 -12.938 4.710 331 H LEU 45 H LEU 45 -1.702 -10.322 1.696 332 HA LEU 45 HA LEU 45 -4.208 -8.950 2.283 333 HB2 LEU 45 2HB LEU 45 -1.883 -7.559 0.950 334 HB3 LEU 45 1HB LEU 45 -3.514 -7.008 0.959 335 HG LEU 45 HG LEU 45 -1.966 -7.376 3.508 336 HD11 LEU 45 1HD1 LEU 45 -2.432 -4.904 1.840 337 HD12 LEU 45 2HD1 LEU 45 -0.871 -5.706 2.119 338 HD13 LEU 45 3HD1 LEU 45 -1.721 -4.945 3.454 339 HD21 LEU 45 3HD2 LEU 45 -4.516 -5.917 2.824 340 HD22 LEU 45 1HD2 LEU 45 -3.730 -5.935 4.403 341 HD23 LEU 45 2HD2 LEU 45 -4.395 -7.422 3.730 342 H GLU 46 H GLU 46 -5.471 -8.551 0.558 343 HA GLU 46 HA GLU 46 -4.599 -9.195 -2.072 344 HB2 GLU 46 2HB GLU 46 -6.594 -10.595 -2.555 345 HB3 GLU 46 1HB GLU 46 -5.517 -11.351 -1.404 346 HG2 GLU 46 2HG GLU 46 -8.029 -9.876 -0.638 347 HG3 GLU 46 1HG GLU 46 -7.972 -11.604 -0.934 348 H GLU 47 H GLU 47 -6.605 -8.659 -3.544 349 HA GLU 47 HA GLU 47 -7.057 -5.930 -2.934 350 HB2 GLU 47 2HB GLU 47 -8.329 -5.861 -5.092 351 HB3 GLU 47 1HB GLU 47 -6.652 -6.338 -5.219 352 HG2 GLU 47 2HG GLU 47 -8.931 -8.294 -5.175 353 HG3 GLU 47 1HG GLU 47 -8.303 -7.560 -6.647 354 H GLY 48 H GLY 48 -9.036 -4.858 -3.024 355 HA2 GLY 48 2HA GLY 48 -11.391 -4.725 -2.639 356 HA3 GLY 48 1HA GLY 48 -11.369 -6.404 -2.115 357 H GLN 49 H GLN 49 -8.877 -5.596 -0.507 358 HA GLN 49 HA GLN 49 -10.294 -5.080 1.935 359 HB2 GLN 49 2HB GLN 49 -7.445 -5.620 1.231 360 HB3 GLN 49 1HB GLN 49 -7.929 -5.229 2.868 361 HG2 GLN 49 2HG GLN 49 -9.275 -7.353 1.360 362 HG3 GLN 49 1HG GLN 49 -7.710 -7.725 2.117 363 HE21 GLN 49 1HE2 GLN 49 -10.253 -5.611 3.526 364 HE22 GLN 49 2HE2 GLN 49 -10.607 -6.695 4.793 365 H ASP 50 H ASP 50 -10.233 -3.263 3.125 366 HA ASP 50 HA ASP 50 -9.038 -0.926 1.904 367 HB2 ASP 50 2HB ASP 50 -10.861 -1.230 4.297 368 HB3 ASP 50 1HB ASP 50 -10.152 0.302 3.805 369 H VAL 51 H VAL 51 -7.319 0.122 2.715 370 HA VAL 51 HA VAL 51 -6.163 -1.008 5.109 371 HB VAL 51 HB VAL 51 -5.297 -2.210 3.180 372 HG11 VAL 51 1HG1 VAL 51 -5.388 -0.562 1.429 373 HG12 VAL 51 2HG1 VAL 51 -3.751 -1.155 1.567 374 HG13 VAL 51 3HG1 VAL 51 -4.172 0.421 2.234 375 HG21 VAL 51 3HG2 VAL 51 -3.236 -0.517 4.560 376 HG22 VAL 51 1HG2 VAL 51 -2.900 -2.042 3.719 377 HG23 VAL 51 2HG2 VAL 51 -3.958 -2.011 5.149 378 H ILE 52 H ILE 52 -4.638 0.259 6.055 379 HA ILE 52 HA ILE 52 -4.753 3.152 5.461 380 HB ILE 52 HB ILE 52 -4.268 1.766 8.117 381 HG12 ILE 52 2HG1 ILE 52 -6.810 3.134 7.204 382 HG13 ILE 52 1HG1 ILE 52 -6.578 1.392 7.234 383 HG21 ILE 52 1HG2 ILE 52 -4.644 4.002 9.078 384 HG22 ILE 52 2HG2 ILE 52 -4.848 4.659 7.455 385 HG23 ILE 52 3HG2 ILE 52 -3.286 4.009 7.947 386 HD11 ILE 52 3HD1 ILE 52 -6.247 1.474 9.631 387 HD12 ILE 52 1HD1 ILE 52 -7.818 2.135 9.171 388 HD13 ILE 52 2HD1 ILE 52 -6.493 3.223 9.617 389 H PHE 53 H PHE 53 -2.709 4.002 5.032 390 HA PHE 53 HA PHE 53 -0.393 2.605 6.081 391 HB2 PHE 53 2HB PHE 53 0.705 2.690 3.870 392 HB3 PHE 53 1HB PHE 53 -0.567 1.504 3.887 393 HD1 PHE 53 1HD PHE 53 -2.785 2.169 2.795 394 HD2 PHE 53 2HD PHE 53 0.780 4.451 2.346 395 HE1 PHE 53 1HE PHE 53 -3.707 3.223 0.796 396 HE2 PHE 53 2HE PHE 53 -0.139 5.497 0.345 397 HZ PHE 53 HZ PHE 53 -2.376 4.885 -0.443 398 H ASP 54 H ASP 54 1.602 3.881 5.182 399 HA ASP 54 HA ASP 54 0.944 6.721 5.197 400 HB2 ASP 54 2HB ASP 54 3.432 5.396 6.364 401 HB3 ASP 54 1HB ASP 54 3.180 7.127 6.242 402 H LEU 55 H LEU 55 2.529 7.907 3.918 403 HA LEU 55 HA LEU 55 3.578 6.170 1.823 404 HB2 LEU 55 2HB LEU 55 1.544 7.087 0.991 405 HB3 LEU 55 1HB LEU 55 2.021 8.672 1.561 406 HG LEU 55 HG LEU 55 3.510 8.994 -0.274 407 HD11 LEU 55 1HD1 LEU 55 4.489 6.750 -0.230 408 HD12 LEU 55 2HD1 LEU 55 4.048 7.241 -1.857 409 HD13 LEU 55 3HD1 LEU 55 3.035 6.099 -0.969 410 HD21 LEU 55 3HD2 LEU 55 2.057 8.689 -2.194 411 HD22 LEU 55 1HD2 LEU 55 1.126 9.235 -0.802 412 HD23 LEU 55 2HD2 LEU 55 1.068 7.538 -1.303 413 H GLU 56 H GLU 56 5.477 6.455 1.276 414 HA GLU 56 HA GLU 56 6.907 8.906 2.043 415 HB2 GLU 56 2HB GLU 56 7.442 6.792 3.398 416 HB3 GLU 56 1HB GLU 56 8.093 6.120 1.911 417 HG2 GLU 56 2HG GLU 56 9.875 6.997 3.256 418 HG3 GLU 56 1HG GLU 56 9.694 7.991 1.805 419 H GLU 57 H GLU 57 8.317 9.654 0.399 420 HA GLU 57 HA GLU 57 7.674 8.449 -2.163 421 HB2 GLU 57 2HB GLU 57 8.880 11.151 -1.592 422 HB3 GLU 57 1HB GLU 57 8.555 10.518 -3.200 423 HG2 GLU 57 2HG GLU 57 6.156 10.342 -2.584 424 HG3 GLU 57 1HG GLU 57 6.536 11.126 -1.054 425 H LYS 58 H LYS 58 9.045 7.852 -3.640 426 HA LYS 58 HA LYS 58 11.790 7.181 -2.796 427 HB2 LYS 58 2HB LYS 58 10.238 5.326 -3.457 428 HB3 LYS 58 1HB LYS 58 9.984 6.121 -4.988 429 HG2 LYS 58 2HG LYS 58 12.229 5.723 -5.634 430 HG3 LYS 58 1HG LYS 58 12.632 4.998 -4.066 431 HD2 LYS 58 2HD LYS 58 10.967 3.231 -4.515 432 HD3 LYS 58 1HD LYS 58 10.614 3.973 -6.076 433 HE2 LYS 58 2HE LYS 58 12.918 3.573 -6.792 434 HE3 LYS 58 1HE LYS 58 13.288 2.858 -5.223 435 HZ1 LYS 58 3HZ LYS 58 11.291 1.798 -7.153 436 HZ2 LYS 58 1HZ LYS 58 11.742 1.088 -5.676 437 HZ3 LYS 58 2HZ LYS 58 12.849 1.189 -6.915 438 H GLN 59 H GLN 59 11.062 9.790 -3.550 439 HA GLN 59 HA GLN 59 11.515 11.534 -4.863 440 HB2 GLN 59 2HB GLN 59 13.852 10.789 -4.751 441 HB3 GLN 59 1HB GLN 59 13.587 9.701 -6.102 442 HG2 GLN 59 2HG GLN 59 13.147 11.621 -7.549 443 HG3 GLN 59 1HG GLN 59 13.455 12.703 -6.190 444 HE21 GLN 59 1HE2 GLN 59 14.807 12.454 -8.748 445 HE22 GLN 59 2HE2 GLN 59 16.461 12.145 -8.374 446 H GLY 60 H GLY 60 9.585 11.646 -5.800 447 HA2 GLY 60 2HA GLY 60 8.315 11.901 -7.743 448 HA3 GLY 60 1HA GLY 60 9.480 10.900 -8.602 449 H LYS 61 H LYS 61 9.520 8.593 -7.109 450 HA LYS 61 HA LYS 61 6.976 7.518 -7.883 451 HB2 LYS 61 2HB LYS 61 9.348 6.096 -6.659 452 HB3 LYS 61 1HB LYS 61 7.957 5.321 -7.409 453 HG2 LYS 61 2HG LYS 61 9.989 7.079 -8.730 454 HG3 LYS 61 1HG LYS 61 9.856 5.327 -8.875 455 HD2 LYS 61 2HD LYS 61 7.719 5.543 -9.988 456 HD3 LYS 61 1HD LYS 61 7.728 7.292 -9.731 457 HE2 LYS 61 2HE LYS 61 9.713 7.492 -10.965 458 HE3 LYS 61 1HE LYS 61 9.754 5.746 -11.274 459 HZ1 LYS 61 3HZ LYS 61 7.687 7.670 -12.229 460 HZ2 LYS 61 1HZ LYS 61 7.660 5.994 -12.500 461 HZ3 LYS 61 2HZ LYS 61 8.881 6.940 -13.175 462 H ALA 62 H ALA 62 5.651 6.218 -6.380 463 HA ALA 62 HA ALA 62 5.855 7.192 -3.614 464 HB1 ALA 62 1HB ALA 62 4.120 8.389 -4.843 465 HB2 ALA 62 2HB ALA 62 3.379 7.344 -3.635 466 HB3 ALA 62 3HB ALA 62 3.396 6.857 -5.324 467 H TYR 63 H TYR 63 6.005 5.539 -2.157 468 HA TYR 63 HA TYR 63 4.658 3.050 -2.848 469 HB2 TYR 63 2HB TYR 63 6.426 1.750 -1.759 470 HB3 TYR 63 1HB TYR 63 6.971 2.609 -3.184 471 HD1 TYR 63 2HD TYR 63 8.311 4.813 -2.744 472 HD2 TYR 63 1HD TYR 63 7.551 1.914 0.261 473 HE1 TYR 63 2HE TYR 63 10.167 5.722 -1.394 474 HE2 TYR 63 1HE TYR 63 9.393 2.809 1.609 475 HH TYR 63 HH TYR 63 11.423 4.042 1.240 476 H ALA 64 H ALA 64 3.521 2.185 -1.429 477 HA ALA 64 HA ALA 64 2.764 3.567 1.050 478 HB1 ALA 64 1HB ALA 64 1.152 1.773 1.279 479 HB2 ALA 64 2HB ALA 64 1.912 0.878 -0.041 480 HB3 ALA 64 3HB ALA 64 1.094 2.410 -0.358 481 H VAL 65 H VAL 65 3.177 3.104 3.020 482 HA VAL 65 HA VAL 65 4.736 0.738 3.678 483 HB VAL 65 HB VAL 65 6.258 2.020 5.158 484 HG11 VAL 65 1HG1 VAL 65 7.072 1.421 2.972 485 HG12 VAL 65 2HG1 VAL 65 7.715 2.993 3.454 486 HG13 VAL 65 3HG1 VAL 65 6.394 2.898 2.290 487 HG21 VAL 65 3HG2 VAL 65 5.067 4.475 3.867 488 HG22 VAL 65 1HG2 VAL 65 6.479 4.463 4.924 489 HG23 VAL 65 2HG2 VAL 65 4.899 3.994 5.554 490 H ASN 66 H ASN 66 4.808 0.412 6.041 491 HA ASN 66 HA ASN 66 3.786 0.127 8.061 492 HB2 ASN 66 2HB ASN 66 4.253 2.665 8.119 493 HB3 ASN 66 1HB ASN 66 2.602 2.843 7.635 494 HD21 ASN 66 1HD2 ASN 66 2.065 3.906 9.484 495 HD22 ASN 66 2HD2 ASN 66 1.802 3.106 10.998 496 H LEU 67 H LEU 67 2.418 -1.387 6.607 497 HA LEU 67 HA LEU 67 -0.186 -0.344 6.066 498 HB2 LEU 67 2HB LEU 67 0.733 -3.180 5.822 499 HB3 LEU 67 1HB LEU 67 -0.804 -2.553 5.273 500 HG LEU 67 HG LEU 67 1.926 -2.078 4.103 501 HD11 LEU 67 1HD1 LEU 67 0.679 -4.039 3.498 502 HD12 LEU 67 2HD1 LEU 67 0.917 -2.869 2.167 503 HD13 LEU 67 3HD1 LEU 67 -0.627 -2.924 3.025 504 HD21 LEU 67 3HD2 LEU 67 -0.608 -0.580 3.460 505 HD22 LEU 67 1HD2 LEU 67 0.910 -0.520 2.555 506 HD23 LEU 67 2HD2 LEU 67 0.856 0.099 4.200 507 H ARG 68 H ARG 68 -1.999 -0.665 7.015 508 HA ARG 68 HA ARG 68 -2.283 -2.457 9.332 509 HB2 ARG 68 2HB ARG 68 -1.771 -0.038 10.055 510 HB3 ARG 68 1HB ARG 68 -3.269 0.425 9.254 511 HG2 ARG 68 2HG ARG 68 -3.753 0.253 11.519 512 HG3 ARG 68 1HG ARG 68 -4.356 -1.256 10.829 513 HD2 ARG 68 2HD ARG 68 -3.133 -1.740 12.843 514 HD3 ARG 68 1HD ARG 68 -2.233 -2.341 11.440 515 HE ARG 68 HE ARG 68 -1.495 0.304 12.262 516 HH11 ARG 68 1HH1 ARG 68 -0.829 -3.121 12.807 517 HH12 ARG 68 2HH1 ARG 68 0.741 -2.864 13.441 518 HH21 ARG 68 1HH2 ARG 68 0.672 0.649 13.128 519 HH22 ARG 68 2HH2 ARG 68 1.597 -0.691 13.620 520 H ILE 69 H ILE 69 -4.321 -3.516 9.016 521 HA ILE 69 HA ILE 69 -5.779 -2.558 6.757 522 HB ILE 69 HB ILE 69 -7.417 -4.448 7.167 523 HG12 ILE 69 2HG1 ILE 69 -6.544 -6.411 8.483 524 HG13 ILE 69 1HG1 ILE 69 -5.327 -5.359 9.170 525 HG21 ILE 69 1HG2 ILE 69 -5.996 -6.144 6.231 526 HG22 ILE 69 2HG2 ILE 69 -4.575 -5.161 6.614 527 HG23 ILE 69 3HG2 ILE 69 -5.785 -4.574 5.465 528 HD11 ILE 69 3HD1 ILE 69 -8.306 -5.108 9.491 529 HD12 ILE 69 1HD1 ILE 69 -7.107 -4.025 10.203 530 HD13 ILE 69 2HD1 ILE 69 -7.171 -5.717 10.702 531 H LYS 70 H LYS 70 -7.868 -1.903 6.603 532 HA LYS 70 HA LYS 70 -8.613 -0.124 8.662 533 HB2 LYS 70 2HB LYS 70 -9.088 0.134 6.136 534 HB3 LYS 70 1HB LYS 70 -10.331 -1.057 6.388 535 HG2 LYS 70 2HG LYS 70 -11.432 0.303 8.010 536 HG3 LYS 70 1HG LYS 70 -10.205 1.560 7.787 537 HD2 LYS 70 2HD LYS 70 -10.855 1.752 5.427 538 HD3 LYS 70 1HD LYS 70 -12.096 0.518 5.674 539 HE2 LYS 70 2HE LYS 70 -13.122 1.953 7.371 540 HE3 LYS 70 1HE LYS 70 -11.935 3.206 7.005 541 HZ1 LYS 70 3HZ LYS 70 -13.961 2.089 5.156 542 HZ2 LYS 70 1HZ LYS 70 -12.808 3.205 4.694 543 HZ3 LYS 70 2HZ LYS 70 -13.989 3.619 5.842 Start of MODEL 13 1 H1 MET 1 1HT MET 1 6.312 12.008 1.489 2 H2 MET 1 2HT MET 1 5.669 10.625 2.213 3 H3 MET 1 3HT MET 1 7.257 10.993 2.520 4 HA MET 1 HA MET 1 5.982 11.434 4.387 5 HB2 MET 1 2HB MET 1 6.568 14.046 2.977 6 HB3 MET 1 1HB MET 1 6.199 13.904 4.687 7 HG2 MET 1 2HG MET 1 8.202 12.517 4.985 8 HG3 MET 1 1HG MET 1 8.572 12.706 3.272 9 HE1 MET 1 2HE MET 1 8.260 14.484 6.748 10 HE2 MET 1 3HE MET 1 7.132 15.435 5.785 11 HE3 MET 1 1HE MET 1 8.637 16.159 6.352 12 H ALA 2 H ALA 2 3.950 10.641 4.232 13 HA ALA 2 HA ALA 2 1.889 12.594 4.295 14 HB1 ALA 2 1HB ALA 2 0.446 11.489 2.595 15 HB2 ALA 2 2HB ALA 2 1.808 10.454 2.156 16 HB3 ALA 2 3HB ALA 2 1.898 12.189 1.878 17 H THR 3 H THR 3 1.073 11.962 6.207 18 HA THR 3 HA THR 3 1.142 9.119 6.824 19 HB THR 3 HB THR 3 0.838 9.928 9.187 20 HG1 THR 3 1HG THR 3 0.754 11.989 9.573 21 HG21 THR 3 3HG2 THR 3 3.294 10.869 7.686 22 HG22 THR 3 1HG2 THR 3 3.033 9.242 8.312 23 HG23 THR 3 2HG2 THR 3 3.199 10.597 9.427 24 H ASN 4 H ASN 4 -0.482 7.992 7.535 25 HA ASN 4 HA ASN 4 -2.574 7.224 7.805 26 HB2 ASN 4 2HB ASN 4 -3.230 10.062 8.620 27 HB3 ASN 4 1HB ASN 4 -4.309 8.695 8.822 28 HD21 ASN 4 1HD2 ASN 4 -3.180 10.470 10.793 29 HD22 ASN 4 2HD2 ASN 4 -2.323 9.470 11.911 30 H ILE 5 H ILE 5 -2.561 6.844 5.593 31 HA ILE 5 HA ILE 5 -4.357 8.569 4.044 32 HB ILE 5 HB ILE 5 -2.436 6.445 3.129 33 HG12 ILE 5 2HG1 ILE 5 -2.240 9.447 3.227 34 HG13 ILE 5 1HG1 ILE 5 -1.273 8.219 4.043 35 HG21 ILE 5 1HG2 ILE 5 -4.318 6.679 1.618 36 HG22 ILE 5 2HG2 ILE 5 -2.841 7.291 0.876 37 HG23 ILE 5 3HG2 ILE 5 -4.055 8.427 1.500 38 HD11 ILE 5 3HD1 ILE 5 -0.346 7.466 2.053 39 HD12 ILE 5 1HD1 ILE 5 -0.114 9.218 2.147 40 HD13 ILE 5 2HD1 ILE 5 -1.388 8.541 1.100 41 H VAL 6 H VAL 6 -6.053 7.723 3.018 42 HA VAL 6 HA VAL 6 -6.982 5.103 3.898 43 HB VAL 6 HB VAL 6 -8.441 7.415 2.634 44 HG11 VAL 6 1HG1 VAL 6 -9.308 5.325 1.773 45 HG12 VAL 6 2HG1 VAL 6 -10.497 6.090 2.838 46 HG13 VAL 6 3HG1 VAL 6 -9.540 4.703 3.397 47 HG21 VAL 6 3HG2 VAL 6 -8.666 6.143 5.360 48 HG22 VAL 6 1HG2 VAL 6 -9.671 7.463 4.754 49 HG23 VAL 6 2HG2 VAL 6 -7.941 7.712 4.998 50 H GLY 7 H GLY 7 -7.154 3.511 2.531 51 HA2 GLY 7 2HA GLY 7 -8.184 3.910 0.057 52 HA3 GLY 7 1HA GLY 7 -6.537 3.505 -0.256 53 H LYS 8 H LYS 8 -7.881 1.910 -1.303 54 HA LYS 8 HA LYS 8 -8.307 -0.392 0.439 55 HB2 LYS 8 2HB LYS 8 -10.380 0.390 -0.473 56 HB3 LYS 8 1HB LYS 8 -9.697 0.474 -2.082 57 HG2 LYS 8 2HG LYS 8 -9.502 -1.921 -2.170 58 HG3 LYS 8 1HG LYS 8 -10.101 -2.058 -0.513 59 HD2 LYS 8 2HD LYS 8 -11.647 -0.811 -2.780 60 HD3 LYS 8 1HD LYS 8 -11.842 -2.492 -2.279 61 HE2 LYS 8 2HE LYS 8 -12.581 -1.791 -0.088 62 HE3 LYS 8 1HE LYS 8 -12.247 -0.105 -0.466 63 HZ1 LYS 8 3HZ LYS 8 -14.267 -1.772 -1.863 64 HZ2 LYS 8 1HZ LYS 8 -13.926 -0.130 -2.113 65 HZ3 LYS 8 2HZ LYS 8 -14.587 -0.634 -0.655 66 H VAL 9 H VAL 9 -7.356 -2.244 -0.179 67 HA VAL 9 HA VAL 9 -5.072 -2.157 -1.789 68 HB VAL 9 HB VAL 9 -6.662 -4.607 -0.933 69 HG11 VAL 9 1HG1 VAL 9 -5.132 -5.089 -2.788 70 HG12 VAL 9 2HG1 VAL 9 -4.584 -5.852 -1.295 71 HG13 VAL 9 3HG1 VAL 9 -3.797 -4.381 -1.875 72 HG21 VAL 9 3HG2 VAL 9 -4.284 -3.270 0.356 73 HG22 VAL 9 1HG2 VAL 9 -5.022 -4.786 0.880 74 HG23 VAL 9 2HG2 VAL 9 -5.937 -3.282 0.974 75 H LYS 10 H LYS 10 -5.008 -1.885 -3.805 76 HA LYS 10 HA LYS 10 -7.226 -2.122 -5.585 77 HB2 LYS 10 2HB LYS 10 -5.255 -0.486 -5.542 78 HB3 LYS 10 1HB LYS 10 -4.299 -1.783 -6.209 79 HG2 LYS 10 2HG LYS 10 -5.749 -1.779 -8.197 80 HG3 LYS 10 1HG LYS 10 -6.645 -0.419 -7.492 81 HD2 LYS 10 2HD LYS 10 -4.451 0.788 -7.292 82 HD3 LYS 10 1HD LYS 10 -3.742 -0.501 -8.258 83 HE2 LYS 10 2HE LYS 10 -5.919 1.394 -9.056 84 HE3 LYS 10 1HE LYS 10 -4.237 1.405 -9.579 85 HZ1 LYS 10 3HZ LYS 10 -5.673 0.414 -11.267 86 HZ2 LYS 10 1HZ LYS 10 -6.224 -0.742 -10.190 87 HZ3 LYS 10 2HZ LYS 10 -4.613 -0.746 -10.690 88 H TRP 11 H TRP 11 -4.088 -3.701 -5.171 89 HA TRP 11 HA TRP 11 -4.950 -6.302 -5.430 90 HB2 TRP 11 2HB TRP 11 -3.794 -6.942 -7.535 91 HB3 TRP 11 1HB TRP 11 -5.228 -6.007 -7.839 92 HD1 TRP 11 HD TRP 11 -4.833 -3.604 -9.022 93 HE1 TRP 11 1HE TRP 11 -2.788 -2.605 -10.244 94 HE3 TRP 11 3HE TRP 11 -1.342 -6.858 -7.451 95 HZ2 TRP 11 2HZ TRP 11 -0.042 -3.152 -10.496 96 HZ3 TRP 11 3HZ TRP 11 1.020 -6.582 -8.206 97 HH2 TRP 11 HH TRP 11 1.636 -4.761 -9.699 98 H TYR 12 H TYR 12 -3.108 -7.774 -5.391 99 HA TYR 12 HA TYR 12 -0.533 -6.551 -4.923 100 HB2 TYR 12 2HB TYR 12 -1.667 -6.370 -2.718 101 HB3 TYR 12 1HB TYR 12 -1.918 -8.110 -2.734 102 HD1 TYR 12 2HD TYR 12 0.725 -5.515 -2.741 103 HD2 TYR 12 1HD TYR 12 -0.255 -9.551 -1.851 104 HE1 TYR 12 2HE TYR 12 2.900 -5.785 -1.618 105 HE2 TYR 12 1HE TYR 12 1.914 -9.839 -0.735 106 HH TYR 12 HH TYR 12 4.113 -8.855 -0.655 107 H ASN 13 H ASN 13 0.968 -7.801 -5.762 108 HA ASN 13 HA ASN 13 0.290 -10.611 -6.169 109 HB2 ASN 13 2HB ASN 13 2.406 -8.914 -7.536 110 HB3 ASN 13 1HB ASN 13 2.159 -10.629 -7.823 111 HD21 ASN 13 1HD2 ASN 13 2.039 -8.430 -9.704 112 HD22 ASN 13 2HD2 ASN 13 0.462 -8.446 -10.374 113 H SER 14 H SER 14 0.900 -11.647 -4.415 114 HA SER 14 HA SER 14 3.008 -10.902 -2.728 115 HB2 SER 14 2HB SER 14 1.660 -13.590 -3.029 116 HB3 SER 14 1HB SER 14 2.623 -13.070 -1.645 117 HG SER 14 HG SER 14 1.027 -11.885 -0.954 118 H THR 15 H THR 15 2.977 -12.703 -5.717 119 HA THR 15 HA THR 15 5.266 -14.217 -5.441 120 HB THR 15 HB THR 15 5.164 -13.991 -7.949 121 HG1 THR 15 1HG THR 15 3.789 -12.620 -8.782 122 HG21 THR 15 3HG2 THR 15 4.160 -15.883 -6.798 123 HG22 THR 15 1HG2 THR 15 3.105 -15.368 -8.107 124 HG23 THR 15 2HG2 THR 15 2.723 -14.936 -6.434 125 H LYS 16 H LYS 16 4.655 -10.920 -6.413 126 HA LYS 16 HA LYS 16 7.511 -10.558 -6.937 127 HB2 LYS 16 2HB LYS 16 5.168 -8.855 -7.765 128 HB3 LYS 16 1HB LYS 16 6.853 -8.449 -8.078 129 HG2 LYS 16 2HG LYS 16 7.087 -10.515 -9.384 130 HG3 LYS 16 1HG LYS 16 5.382 -10.867 -9.103 131 HD2 LYS 16 2HD LYS 16 4.749 -8.830 -10.275 132 HD3 LYS 16 1HD LYS 16 6.451 -8.419 -10.508 133 HE2 LYS 16 2HE LYS 16 6.753 -10.468 -11.828 134 HE3 LYS 16 1HE LYS 16 5.055 -10.859 -11.608 135 HZ1 LYS 16 3HZ LYS 16 4.457 -8.885 -12.831 136 HZ2 LYS 16 1HZ LYS 16 5.492 -9.827 -13.741 137 HZ3 LYS 16 2HZ LYS 16 6.086 -8.444 -12.990 138 H ASN 17 H ASN 17 5.320 -10.075 -4.535 139 HA ASN 17 HA ASN 17 5.451 -9.112 -2.481 140 HB2 ASN 17 2HB ASN 17 8.258 -8.340 -3.336 141 HB3 ASN 17 1HB ASN 17 7.624 -8.089 -1.722 142 HD21 ASN 17 1HD2 ASN 17 6.201 -10.667 -1.631 143 HD22 ASN 17 2HD2 ASN 17 7.416 -11.859 -1.477 144 H PHE 18 H PHE 18 4.603 -7.580 -4.967 145 HA PHE 18 HA PHE 18 4.227 -5.160 -3.493 146 HB2 PHE 18 2HB PHE 18 4.834 -3.604 -5.289 147 HB3 PHE 18 1HB PHE 18 6.224 -4.508 -4.735 148 HD1 PHE 18 1HD PHE 18 3.845 -3.995 -7.494 149 HD2 PHE 18 2HD PHE 18 7.407 -5.964 -6.257 150 HE1 PHE 18 1HE PHE 18 4.353 -4.537 -9.837 151 HE2 PHE 18 2HE PHE 18 7.917 -6.515 -8.597 152 HZ PHE 18 HZ PHE 18 6.391 -5.805 -10.389 153 H GLY 19 H GLY 19 2.729 -3.689 -4.547 154 HA2 GLY 19 2HA GLY 19 0.928 -4.662 -6.540 155 HA3 GLY 19 1HA GLY 19 0.281 -4.803 -4.905 156 H PHE 20 H PHE 20 -1.326 -3.258 -5.519 157 HA PHE 20 HA PHE 20 -0.334 -0.544 -5.144 158 HB2 PHE 20 2HB PHE 20 -2.024 -1.444 -7.425 159 HB3 PHE 20 1HB PHE 20 -2.199 0.185 -6.783 160 HD1 PHE 20 1HD PHE 20 0.049 -2.158 -8.504 161 HD2 PHE 20 2HD PHE 20 -0.534 1.840 -7.214 162 HE1 PHE 20 1HE PHE 20 1.913 -1.435 -9.924 163 HE2 PHE 20 2HE PHE 20 1.328 2.575 -8.625 164 HZ PHE 20 HZ PHE 20 2.556 0.931 -9.991 165 H ILE 21 H ILE 21 -2.077 1.005 -4.713 166 HA ILE 21 HA ILE 21 -4.412 -0.110 -3.381 167 HB ILE 21 HB ILE 21 -2.454 1.796 -2.005 168 HG12 ILE 21 2HG1 ILE 21 -3.098 -1.081 -1.351 169 HG13 ILE 21 1HG1 ILE 21 -1.604 -0.523 -2.073 170 HG21 ILE 21 1HG2 ILE 21 -4.726 2.285 -1.420 171 HG22 ILE 21 2HG2 ILE 21 -3.893 1.533 -0.052 172 HG23 ILE 21 3HG2 ILE 21 -5.015 0.589 -1.032 173 HD11 ILE 21 3HD1 ILE 21 -2.588 0.256 0.667 174 HD12 ILE 21 1HD1 ILE 21 -1.068 0.753 -0.073 175 HD13 ILE 21 2HD1 ILE 21 -1.339 -0.944 0.326 176 H GLU 22 H GLU 22 -6.148 1.308 -3.602 177 HA GLU 22 HA GLU 22 -5.616 4.110 -4.195 178 HB2 GLU 22 2HB GLU 22 -7.159 4.193 -6.066 179 HB3 GLU 22 1HB GLU 22 -6.005 2.917 -6.418 180 HG2 GLU 22 2HG GLU 22 -7.683 1.234 -5.690 181 HG3 GLU 22 1HG GLU 22 -8.772 2.588 -5.348 182 H GLN 23 H GLN 23 -7.269 5.378 -3.265 183 HA GLN 23 HA GLN 23 -9.095 3.783 -1.672 184 HB2 GLN 23 2HB GLN 23 -9.839 5.832 -0.570 185 HB3 GLN 23 1HB GLN 23 -8.094 5.754 -0.556 186 HG2 GLN 23 2HG GLN 23 -7.968 7.326 -2.311 187 HG3 GLN 23 1HG GLN 23 -9.733 7.405 -2.441 188 HE21 GLN 23 1HE2 GLN 23 -6.957 8.179 -0.534 189 HE22 GLN 23 2HE2 GLN 23 -7.705 9.325 0.484 190 H ASP 24 H ASP 24 -11.275 3.975 -1.744 191 HA ASP 24 HA ASP 24 -12.328 3.738 -4.305 192 HB2 ASP 24 2HB ASP 24 -13.770 4.210 -1.703 193 HB3 ASP 24 1HB ASP 24 -14.508 3.698 -3.210 194 H ASN 25 H ASN 25 -11.711 6.545 -2.550 195 HA ASN 25 HA ASN 25 -13.702 8.134 -3.951 196 HB2 ASN 25 2HB ASN 25 -11.573 8.951 -1.963 197 HB3 ASN 25 1HB ASN 25 -12.664 10.084 -2.740 198 HD21 ASN 25 1HD2 ASN 25 -12.331 7.606 -0.327 199 HD22 ASN 25 2HD2 ASN 25 -13.869 7.850 0.397 200 H GLY 26 H GLY 26 -10.916 6.777 -5.017 201 HA2 GLY 26 2HA GLY 26 -9.969 7.307 -7.074 202 HA3 GLY 26 1HA GLY 26 -10.564 8.955 -6.915 203 H GLY 27 H GLY 27 -8.552 6.904 -4.873 204 HA2 GLY 27 2HA GLY 27 -6.796 9.137 -4.346 205 HA3 GLY 27 1HA GLY 27 -6.554 7.531 -3.694 206 H LYS 28 H LYS 28 -4.329 8.675 -4.487 207 HA LYS 28 HA LYS 28 -3.784 8.451 -7.291 208 HB2 LYS 28 2HB LYS 28 -1.929 8.878 -4.966 209 HB3 LYS 28 1HB LYS 28 -1.445 8.927 -6.655 210 HG2 LYS 28 2HG LYS 28 -2.980 10.791 -7.024 211 HG3 LYS 28 1HG LYS 28 -3.413 10.763 -5.312 212 HD2 LYS 28 2HD LYS 28 -1.083 11.172 -4.728 213 HD3 LYS 28 1HD LYS 28 -0.678 11.180 -6.447 214 HE2 LYS 28 2HE LYS 28 -2.048 13.138 -6.812 215 HE3 LYS 28 1HE LYS 28 -2.584 13.116 -5.132 216 HZ1 LYS 28 3HZ LYS 28 -0.798 14.749 -5.514 217 HZ2 LYS 28 1HZ LYS 28 0.216 13.510 -6.032 218 HZ3 LYS 28 2HZ LYS 28 -0.321 13.534 -4.443 219 H ASP 29 H ASP 29 -2.010 7.168 -8.166 220 HA ASP 29 HA ASP 29 -2.224 4.423 -7.340 221 HB2 ASP 29 2HB ASP 29 -0.582 5.660 -9.556 222 HB3 ASP 29 1HB ASP 29 -0.605 3.941 -9.207 223 H VAL 30 H VAL 30 -1.316 4.183 -5.445 224 HA VAL 30 HA VAL 30 1.554 4.633 -5.338 225 HB VAL 30 HB VAL 30 0.527 5.931 -3.573 226 HG11 VAL 30 1HG1 VAL 30 -1.648 4.727 -3.472 227 HG12 VAL 30 2HG1 VAL 30 -0.862 5.102 -1.932 228 HG13 VAL 30 3HG1 VAL 30 -0.785 3.443 -2.563 229 HG21 VAL 30 3HG2 VAL 30 1.643 3.383 -2.480 230 HG22 VAL 30 1HG2 VAL 30 1.383 4.855 -1.555 231 HG23 VAL 30 2HG2 VAL 30 2.532 4.847 -2.900 232 H PHE 31 H PHE 31 2.864 2.906 -5.107 233 HA PHE 31 HA PHE 31 1.460 0.390 -5.169 234 HB2 PHE 31 2HB PHE 31 3.550 -0.658 -5.924 235 HB3 PHE 31 1HB PHE 31 3.094 0.681 -6.955 236 HD1 PHE 31 2HD PHE 31 4.475 2.694 -7.016 237 HD2 PHE 31 1HD PHE 31 5.542 -0.636 -4.603 238 HE1 PHE 31 2HE PHE 31 6.756 3.578 -6.805 239 HE2 PHE 31 1HE PHE 31 7.829 0.251 -4.382 240 HZ PHE 31 HZ PHE 31 8.434 2.360 -5.486 241 H VAL 32 H VAL 32 1.632 -1.141 -3.759 242 HA VAL 32 HA VAL 32 2.891 -0.377 -1.248 243 HB VAL 32 HB VAL 32 0.491 -0.890 -1.097 244 HG11 VAL 32 1HG1 VAL 32 1.202 -3.634 -2.075 245 HG12 VAL 32 2HG1 VAL 32 0.237 -2.430 -2.926 246 HG13 VAL 32 3HG1 VAL 32 -0.375 -3.154 -1.435 247 HG21 VAL 32 3HG2 VAL 32 0.565 -2.579 0.690 248 HG22 VAL 32 1HG2 VAL 32 1.813 -1.361 0.894 249 HG23 VAL 32 2HG2 VAL 32 2.225 -2.958 0.260 250 H HIS 33 H HIS 33 4.602 -1.374 -0.574 251 HA HIS 33 HA HIS 33 5.471 -3.844 -1.975 252 HB2 HIS 33 2HB HIS 33 6.883 -1.901 -2.577 253 HB3 HIS 33 1HB HIS 33 7.171 -1.594 -0.862 254 HD1 HIS 33 1HD HIS 33 7.485 -4.712 -3.042 255 HD2 HIS 33 2HD HIS 33 9.576 -2.546 -0.213 256 HE1 HIS 33 1HE HIS 33 9.447 -6.068 -2.519 257 HE2 HIS 33 2HE HIS 33 10.909 -4.550 -1.120 258 H LYS 34 H LYS 34 6.645 -5.323 -0.761 259 HA LYS 34 HA LYS 34 5.466 -5.963 1.638 260 HB2 LYS 34 2HB LYS 34 6.390 -7.658 0.250 261 HB3 LYS 34 1HB LYS 34 7.999 -6.971 0.383 262 HG2 LYS 34 2HG LYS 34 8.205 -7.693 2.637 263 HG3 LYS 34 1HG LYS 34 6.493 -8.110 2.716 264 HD2 LYS 34 2HD LYS 34 6.704 -9.796 1.252 265 HD3 LYS 34 1HD LYS 34 8.375 -9.394 0.775 266 HE2 LYS 34 2HE LYS 34 8.315 -11.336 2.261 267 HE3 LYS 34 1HE LYS 34 9.073 -9.974 3.079 268 HZ1 LYS 34 3HZ LYS 34 7.088 -9.587 4.297 269 HZ2 LYS 34 1HZ LYS 34 7.505 -11.197 4.472 270 HZ3 LYS 34 2HZ LYS 34 6.232 -10.773 3.444 271 H SER 35 H SER 35 8.129 -3.833 1.197 272 HA SER 35 HA SER 35 9.136 -3.831 3.853 273 HB2 SER 35 2HB SER 35 8.810 -1.449 2.010 274 HB3 SER 35 1HB SER 35 9.890 -1.547 3.399 275 HG SER 35 HG SER 35 10.665 -3.543 2.132 276 H ALA 36 H ALA 36 6.094 -2.713 2.620 277 HA ALA 36 HA ALA 36 5.464 -1.187 4.948 278 HB1 ALA 36 1HB ALA 36 3.599 -2.388 2.946 279 HB2 ALA 36 2HB ALA 36 4.472 -0.871 2.716 280 HB3 ALA 36 3HB ALA 36 3.311 -1.026 4.055 281 H VAL 37 H VAL 37 5.041 -4.457 3.799 282 HA VAL 37 HA VAL 37 3.471 -5.359 5.964 283 HB VAL 37 HB VAL 37 5.378 -6.992 4.180 284 HG11 VAL 37 1HG1 VAL 37 3.285 -7.930 6.140 285 HG12 VAL 37 2HG1 VAL 37 4.992 -8.037 6.407 286 HG13 VAL 37 3HG1 VAL 37 4.267 -8.939 5.073 287 HG21 VAL 37 3HG2 VAL 37 3.470 -5.966 2.986 288 HG22 VAL 37 1HG2 VAL 37 2.365 -6.687 4.151 289 HG23 VAL 37 2HG2 VAL 37 3.314 -7.721 3.093 290 H ASP 38 H ASP 38 6.875 -5.213 5.267 291 HA ASP 38 HA ASP 38 7.992 -6.340 7.514 292 HB2 ASP 38 2HB ASP 38 9.314 -5.633 5.595 293 HB3 ASP 38 1HB ASP 38 8.913 -3.954 5.918 294 H ALA 39 H ALA 39 6.616 -3.153 7.071 295 HA ALA 39 HA ALA 39 7.492 -2.127 9.597 296 HB1 ALA 39 1HB ALA 39 7.039 -0.691 7.672 297 HB2 ALA 39 2HB ALA 39 6.126 -0.207 9.102 298 HB3 ALA 39 3HB ALA 39 5.327 -1.092 7.798 299 H ALA 40 H ALA 40 4.838 -4.155 8.794 300 HA ALA 40 HA ALA 40 3.645 -3.540 11.436 301 HB1 ALA 40 1HB ALA 40 1.402 -3.746 10.556 302 HB2 ALA 40 2HB ALA 40 2.044 -4.079 8.949 303 HB3 ALA 40 3HB ALA 40 2.301 -2.497 9.686 304 H GLY 41 H GLY 41 4.589 -5.985 9.242 305 HA2 GLY 41 2HA GLY 41 4.739 -8.211 9.439 306 HA3 GLY 41 1HA GLY 41 4.152 -8.142 11.077 307 H LEU 42 H LEU 42 2.703 -7.000 8.174 308 HA LEU 42 HA LEU 42 0.165 -8.105 8.639 309 HB2 LEU 42 2HB LEU 42 0.325 -6.165 7.290 310 HB3 LEU 42 1HB LEU 42 1.520 -6.882 6.242 311 HG LEU 42 HG LEU 42 -0.178 -8.204 5.227 312 HD11 LEU 42 1HD1 LEU 42 -1.688 -8.525 7.128 313 HD12 LEU 42 2HD1 LEU 42 -2.469 -7.935 5.669 314 HD13 LEU 42 3HD1 LEU 42 -2.177 -6.809 7.021 315 HD21 LEU 42 3HD2 LEU 42 -1.514 -6.389 4.259 316 HD22 LEU 42 1HD2 LEU 42 0.227 -6.074 4.287 317 HD23 LEU 42 2HD2 LEU 42 -0.831 -5.313 5.474 318 H HIS 43 H HIS 43 -0.782 -9.951 7.888 319 HA HIS 43 HA HIS 43 0.806 -12.210 7.346 320 HB2 HIS 43 2HB HIS 43 -2.132 -11.829 6.703 321 HB3 HIS 43 1HB HIS 43 -1.277 -13.365 6.726 322 HD1 HIS 43 1HD HIS 43 -3.643 -11.803 8.629 323 HD2 HIS 43 2HD HIS 43 0.053 -13.417 9.616 324 HE1 HIS 43 1HE HIS 43 -3.749 -12.278 11.081 325 HE2 HIS 43 2HE HIS 43 -1.631 -13.528 11.563 326 H SER 44 H SER 44 -1.404 -10.464 5.145 327 HA SER 44 HA SER 44 0.416 -10.152 3.097 328 HB2 SER 44 2HB SER 44 0.048 -12.640 2.858 329 HB3 SER 44 1HB SER 44 -1.669 -12.305 2.597 330 HG SER 44 HG SER 44 -1.090 -12.174 0.600 331 H LEU 45 H LEU 45 -0.976 -9.520 1.123 332 HA LEU 45 HA LEU 45 -3.295 -7.984 2.081 333 HB2 LEU 45 2HB LEU 45 -1.610 -7.449 -0.313 334 HB3 LEU 45 1HB LEU 45 -2.980 -6.524 0.213 335 HG LEU 45 HG LEU 45 -1.607 -6.194 2.387 336 HD11 LEU 45 1HD1 LEU 45 0.609 -6.770 0.463 337 HD12 LEU 45 2HD1 LEU 45 0.209 -7.672 1.925 338 HD13 LEU 45 3HD1 LEU 45 0.781 -6.008 2.041 339 HD21 LEU 45 3HD2 LEU 45 -1.074 -4.800 -0.188 340 HD22 LEU 45 1HD2 LEU 45 -0.714 -4.152 1.442 341 HD23 LEU 45 2HD2 LEU 45 -2.383 -4.573 0.987 342 H GLU 46 H GLU 46 -5.119 -8.087 0.975 343 HA GLU 46 HA GLU 46 -5.205 -9.435 -1.562 344 HB2 GLU 46 2HB GLU 46 -7.392 -10.550 -0.907 345 HB3 GLU 46 1HB GLU 46 -5.953 -11.229 -0.184 346 HG2 GLU 46 2HG GLU 46 -7.800 -9.311 1.226 347 HG3 GLU 46 1HG GLU 46 -7.955 -11.059 1.308 348 H GLU 47 H GLU 47 -6.894 -8.771 -2.913 349 HA GLU 47 HA GLU 47 -7.259 -5.984 -2.651 350 HB2 GLU 47 2HB GLU 47 -8.379 -6.014 -4.781 351 HB3 GLU 47 1HB GLU 47 -6.986 -7.072 -4.852 352 HG2 GLU 47 2HG GLU 47 -9.842 -7.946 -4.525 353 HG3 GLU 47 1HG GLU 47 -8.941 -7.955 -6.035 354 H GLY 48 H GLY 48 -9.209 -4.830 -2.693 355 HA2 GLY 48 2HA GLY 48 -11.524 -4.569 -2.194 356 HA3 GLY 48 1HA GLY 48 -11.552 -6.225 -1.603 357 H GLN 49 H GLN 49 -9.086 -5.715 -0.019 358 HA GLN 49 HA GLN 49 -10.292 -4.987 2.432 359 HB2 GLN 49 2HB GLN 49 -7.493 -5.550 1.545 360 HB3 GLN 49 1HB GLN 49 -7.836 -5.059 3.189 361 HG2 GLN 49 2HG GLN 49 -9.355 -7.272 1.998 362 HG3 GLN 49 1HG GLN 49 -7.685 -7.607 2.522 363 HE21 GLN 49 1HE2 GLN 49 -9.877 -5.349 4.167 364 HE22 GLN 49 2HE2 GLN 49 -10.071 -6.332 5.550 365 H ASP 50 H ASP 50 -10.402 -3.081 3.419 366 HA ASP 50 HA ASP 50 -9.229 -0.778 2.145 367 HB2 ASP 50 2HB ASP 50 -10.910 -1.051 4.637 368 HB3 ASP 50 1HB ASP 50 -10.213 0.477 4.125 369 H VAL 51 H VAL 51 -7.484 0.270 2.817 370 HA VAL 51 HA VAL 51 -6.216 -0.753 5.190 371 HB VAL 51 HB VAL 51 -5.472 -2.057 3.278 372 HG11 VAL 51 1HG1 VAL 51 -5.568 -0.463 1.475 373 HG12 VAL 51 2HG1 VAL 51 -3.935 -1.095 1.585 374 HG13 VAL 51 3HG1 VAL 51 -4.301 0.508 2.214 375 HG21 VAL 51 3HG2 VAL 51 -3.342 -0.381 4.574 376 HG22 VAL 51 1HG2 VAL 51 -3.051 -1.929 3.747 377 HG23 VAL 51 2HG2 VAL 51 -4.097 -1.851 5.186 378 H ILE 52 H ILE 52 -4.788 0.562 6.044 379 HA ILE 52 HA ILE 52 -4.863 3.371 5.161 380 HB ILE 52 HB ILE 52 -4.778 2.256 8.003 381 HG12 ILE 52 2HG1 ILE 52 -6.999 3.830 6.706 382 HG13 ILE 52 1HG1 ILE 52 -6.954 2.073 6.691 383 HG21 ILE 52 1HG2 ILE 52 -5.006 4.564 8.729 384 HG22 ILE 52 2HG2 ILE 52 -4.942 5.116 7.055 385 HG23 ILE 52 3HG2 ILE 52 -3.526 4.372 7.784 386 HD11 ILE 52 3HD1 ILE 52 -7.066 1.991 9.046 387 HD12 ILE 52 1HD1 ILE 52 -8.384 2.980 8.451 388 HD13 ILE 52 2HD1 ILE 52 -6.973 3.758 9.201 389 H PHE 53 H PHE 53 -2.817 4.354 5.069 390 HA PHE 53 HA PHE 53 -0.526 2.919 6.116 391 HB2 PHE 53 2HB PHE 53 0.562 2.904 3.886 392 HB3 PHE 53 1HB PHE 53 -0.732 1.741 3.975 393 HD1 PHE 53 1HD PHE 53 -2.957 2.380 2.887 394 HD2 PHE 53 2HD PHE 53 0.612 4.624 2.293 395 HE1 PHE 53 1HE PHE 53 -3.916 3.376 0.882 396 HE2 PHE 53 2HE PHE 53 -0.346 5.614 0.279 397 HZ PHE 53 HZ PHE 53 -2.607 4.995 -0.438 398 H ASP 54 H ASP 54 1.515 4.142 5.175 399 HA ASP 54 HA ASP 54 0.888 6.981 5.022 400 HB2 ASP 54 2HB ASP 54 3.372 5.679 6.191 401 HB3 ASP 54 1HB ASP 54 3.093 7.410 6.053 402 H LEU 55 H LEU 55 2.453 8.093 3.661 403 HA LEU 55 HA LEU 55 3.343 6.237 1.606 404 HB2 LEU 55 2HB LEU 55 1.337 7.125 0.818 405 HB3 LEU 55 1HB LEU 55 1.833 8.720 1.343 406 HG LEU 55 HG LEU 55 3.205 9.034 -0.579 407 HD11 LEU 55 1HD1 LEU 55 4.199 6.795 -0.483 408 HD12 LEU 55 2HD1 LEU 55 3.746 7.263 -2.113 409 HD13 LEU 55 3HD1 LEU 55 2.743 6.129 -1.200 410 HD21 LEU 55 3HD2 LEU 55 1.672 8.662 -2.419 411 HD22 LEU 55 1HD2 LEU 55 0.792 9.210 -0.994 412 HD23 LEU 55 2HD2 LEU 55 0.753 7.503 -1.465 413 H GLU 56 H GLU 56 5.174 6.220 1.257 414 HA GLU 56 HA GLU 56 6.883 8.550 1.576 415 HB2 GLU 56 2HB GLU 56 7.518 5.645 1.829 416 HB3 GLU 56 1HB GLU 56 8.787 6.811 1.474 417 HG2 GLU 56 2HG GLU 56 6.927 6.965 3.817 418 HG3 GLU 56 1HG GLU 56 8.578 6.321 3.863 419 H GLU 57 H GLU 57 8.517 8.893 0.165 420 HA GLU 57 HA GLU 57 7.516 8.486 -2.543 421 HB2 GLU 57 2HB GLU 57 9.058 10.730 -1.272 422 HB3 GLU 57 1HB GLU 57 8.561 10.671 -2.967 423 HG2 GLU 57 2HG GLU 57 6.280 10.777 -2.434 424 HG3 GLU 57 1HG GLU 57 6.570 10.369 -0.751 425 H LYS 58 H LYS 58 8.737 7.616 -3.995 426 HA LYS 58 HA LYS 58 11.515 6.954 -3.324 427 HB2 LYS 58 2HB LYS 58 10.097 4.983 -3.590 428 HB3 LYS 58 1HB LYS 58 9.563 5.523 -5.162 429 HG2 LYS 58 2HG LYS 58 11.929 5.263 -5.955 430 HG3 LYS 58 1HG LYS 58 12.323 4.589 -4.374 431 HD2 LYS 58 2HD LYS 58 10.706 2.790 -4.714 432 HD3 LYS 58 1HD LYS 58 10.269 3.478 -6.281 433 HE2 LYS 58 2HE LYS 58 12.607 3.122 -7.040 434 HE3 LYS 58 1HE LYS 58 12.965 2.374 -5.487 435 HZ1 LYS 58 3HZ LYS 58 11.003 1.372 -7.478 436 HZ2 LYS 58 1HZ LYS 58 11.328 0.635 -6.000 437 HZ3 LYS 58 2HZ LYS 58 12.507 0.718 -7.194 438 H GLN 59 H GLN 59 12.080 9.093 -4.060 439 HA GLN 59 HA GLN 59 13.040 10.542 -5.532 440 HB2 GLN 59 2HB GLN 59 14.317 8.485 -6.082 441 HB3 GLN 59 1HB GLN 59 13.121 8.066 -7.284 442 HG2 GLN 59 2HG GLN 59 13.790 10.009 -8.611 443 HG3 GLN 59 1HG GLN 59 14.973 10.439 -7.373 444 HE21 GLN 59 1HE2 GLN 59 16.843 9.192 -7.144 445 HE22 GLN 59 2HE2 GLN 59 17.337 8.074 -8.342 446 H GLY 60 H GLY 60 10.029 9.849 -5.714 447 HA2 GLY 60 2HA GLY 60 8.754 11.661 -7.009 448 HA3 GLY 60 1HA GLY 60 9.491 10.877 -8.406 449 H LYS 61 H LYS 61 9.281 8.245 -7.096 450 HA LYS 61 HA LYS 61 6.583 7.644 -7.951 451 HB2 LYS 61 2HB LYS 61 8.754 5.832 -6.853 452 HB3 LYS 61 1HB LYS 61 7.242 5.302 -7.573 453 HG2 LYS 61 2HG LYS 61 9.414 6.822 -9.009 454 HG3 LYS 61 1HG LYS 61 9.184 5.077 -9.071 455 HD2 LYS 61 2HD LYS 61 7.172 7.138 -9.989 456 HD3 LYS 61 1HD LYS 61 8.262 6.245 -11.045 457 HE2 LYS 61 2HE LYS 61 7.241 4.140 -10.294 458 HE3 LYS 61 1HE LYS 61 6.121 5.044 -9.281 459 HZ1 LYS 61 3HZ LYS 61 5.228 6.092 -11.277 460 HZ2 LYS 61 1HZ LYS 61 5.114 4.425 -11.395 461 HZ3 LYS 61 2HZ LYS 61 6.322 5.237 -12.229 462 H ALA 62 H ALA 62 5.280 6.144 -6.468 463 HA ALA 62 HA ALA 62 5.433 7.229 -3.742 464 HB1 ALA 62 1HB ALA 62 3.669 8.294 -5.028 465 HB2 ALA 62 2HB ALA 62 2.941 7.262 -3.802 466 HB3 ALA 62 3HB ALA 62 3.021 6.718 -5.469 467 H TYR 63 H TYR 63 5.742 5.597 -2.251 468 HA TYR 63 HA TYR 63 4.372 3.092 -2.824 469 HB2 TYR 63 2HB TYR 63 6.148 1.777 -1.801 470 HB3 TYR 63 1HB TYR 63 6.685 2.633 -3.226 471 HD1 TYR 63 2HD TYR 63 8.188 4.685 -2.867 472 HD2 TYR 63 1HD TYR 63 7.188 2.015 0.275 473 HE1 TYR 63 2HE TYR 63 10.092 5.534 -1.534 474 HE2 TYR 63 1HE TYR 63 9.069 2.844 1.601 475 HH TYR 63 HH TYR 63 11.140 3.941 1.316 476 H ALA 64 H ALA 64 3.307 2.194 -1.362 477 HA ALA 64 HA ALA 64 2.582 3.643 1.077 478 HB1 ALA 64 1HB ALA 64 0.915 1.905 1.345 479 HB2 ALA 64 2HB ALA 64 1.629 0.973 0.028 480 HB3 ALA 64 3HB ALA 64 0.877 2.535 -0.296 481 H VAL 65 H VAL 65 3.035 3.224 3.068 482 HA VAL 65 HA VAL 65 4.473 0.801 3.810 483 HB VAL 65 HB VAL 65 6.108 2.070 5.173 484 HG11 VAL 65 1HG1 VAL 65 6.813 1.278 3.007 485 HG12 VAL 65 2HG1 VAL 65 7.576 2.825 3.378 486 HG13 VAL 65 3HG1 VAL 65 6.217 2.757 2.254 487 HG21 VAL 65 3HG2 VAL 65 5.034 4.503 3.747 488 HG22 VAL 65 1HG2 VAL 65 6.470 4.475 4.772 489 HG23 VAL 65 2HG2 VAL 65 4.883 4.147 5.468 490 H ASN 66 H ASN 66 4.707 0.711 6.243 491 HA ASN 66 HA ASN 66 3.696 0.504 8.279 492 HB2 ASN 66 2HB ASN 66 4.271 3.077 8.121 493 HB3 ASN 66 1HB ASN 66 2.597 3.231 7.805 494 HD21 ASN 66 1HD2 ASN 66 2.353 4.467 9.626 495 HD22 ASN 66 2HD2 ASN 66 2.179 3.784 11.212 496 H LEU 67 H LEU 67 2.224 -0.983 6.930 497 HA LEU 67 HA LEU 67 -0.324 0.105 6.295 498 HB2 LEU 67 2HB LEU 67 0.488 -2.772 6.321 499 HB3 LEU 67 1HB LEU 67 -1.029 -2.147 5.722 500 HG LEU 67 HG LEU 67 1.706 -1.870 4.503 501 HD11 LEU 67 1HD1 LEU 67 0.442 -3.835 4.065 502 HD12 LEU 67 2HD1 LEU 67 0.593 -2.788 2.625 503 HD13 LEU 67 3HD1 LEU 67 -0.902 -2.773 3.560 504 HD21 LEU 67 3HD2 LEU 67 -0.786 -0.363 3.733 505 HD22 LEU 67 1HD2 LEU 67 0.730 -0.420 2.825 506 HD23 LEU 67 2HD2 LEU 67 0.698 0.343 4.409 507 H ARG 68 H ARG 68 -2.137 0.051 7.211 508 HA ARG 68 HA ARG 68 -2.491 -1.251 9.793 509 HB2 ARG 68 2HB ARG 68 -3.427 1.234 8.528 510 HB3 ARG 68 1HB ARG 68 -4.144 0.663 10.038 511 HG2 ARG 68 2HG ARG 68 -1.370 1.678 9.421 512 HG3 ARG 68 1HG ARG 68 -2.613 2.525 10.338 513 HD2 ARG 68 2HD ARG 68 -2.577 0.726 11.945 514 HD3 ARG 68 1HD ARG 68 -1.240 -0.006 11.043 515 HE ARG 68 HE ARG 68 -0.642 2.673 11.654 516 HH11 ARG 68 1HH1 ARG 68 -0.858 -0.456 13.266 517 HH12 ARG 68 2HH1 ARG 68 0.330 -0.116 14.435 518 HH21 ARG 68 1HH2 ARG 68 0.956 3.193 13.278 519 HH22 ARG 68 2HH2 ARG 68 1.401 2.037 14.430 520 H ILE 69 H ILE 69 -4.285 -2.634 9.686 521 HA ILE 69 HA ILE 69 -5.792 -2.445 7.215 522 HB ILE 69 HB ILE 69 -6.507 -4.887 7.768 523 HG12 ILE 69 2HG1 ILE 69 -4.573 -6.260 8.631 524 HG13 ILE 69 1HG1 ILE 69 -3.811 -4.765 9.147 525 HG21 ILE 69 1HG2 ILE 69 -4.732 -5.755 6.359 526 HG22 ILE 69 2HG2 ILE 69 -3.941 -4.168 6.430 527 HG23 ILE 69 3HG2 ILE 69 -5.572 -4.341 5.744 528 HD11 ILE 69 3HD1 ILE 69 -6.424 -5.870 10.132 529 HD12 ILE 69 1HD1 ILE 69 -5.676 -4.364 10.666 530 HD13 ILE 69 2HD1 ILE 69 -4.879 -5.908 10.990 531 H LYS 70 H LYS 70 -7.815 -2.115 7.072 532 HA LYS 70 HA LYS 70 -9.362 -1.630 9.390 533 HB2 LYS 70 2HB LYS 70 -9.746 -0.452 7.217 534 HB3 LYS 70 1HB LYS 70 -10.231 -1.983 6.523 535 HG2 LYS 70 2HG LYS 70 -12.041 -2.157 8.105 536 HG3 LYS 70 1HG LYS 70 -11.604 -0.574 8.763 537 HD2 LYS 70 2HD LYS 70 -12.013 0.442 6.575 538 HD3 LYS 70 1HD LYS 70 -12.431 -1.147 5.922 539 HE2 LYS 70 2HE LYS 70 -14.254 -1.308 7.536 540 HE3 LYS 70 1HE LYS 70 -13.867 0.312 8.112 541 HZ1 LYS 70 3HZ LYS 70 -15.689 0.303 6.498 542 HZ2 LYS 70 1HZ LYS 70 -14.683 -0.368 5.348 543 HZ3 LYS 70 2HZ LYS 70 -14.365 1.182 5.923 Start of MODEL 14 1 H1 MET 1 1HT MET 1 4.086 16.117 4.032 2 H2 MET 1 2HT MET 1 4.453 15.287 2.627 3 H3 MET 1 3HT MET 1 5.674 15.594 3.755 4 HA MET 1 HA MET 1 4.895 13.303 3.834 5 HB2 MET 1 2HB MET 1 4.008 14.907 6.255 6 HB3 MET 1 1HB MET 1 4.301 13.182 6.233 7 HG2 MET 1 2HG MET 1 6.670 13.612 5.724 8 HG3 MET 1 1HG MET 1 6.344 15.343 5.802 9 HE1 MET 1 2HE MET 1 8.390 14.766 9.076 10 HE2 MET 1 3HE MET 1 8.241 15.705 7.590 11 HE3 MET 1 1HE MET 1 8.630 13.986 7.512 12 H ALA 2 H ALA 2 3.218 11.873 3.893 13 HA ALA 2 HA ALA 2 0.497 12.910 4.116 14 HB1 ALA 2 1HB ALA 2 -0.184 11.510 2.181 15 HB2 ALA 2 2HB ALA 2 1.512 11.098 1.908 16 HB3 ALA 2 3HB ALA 2 0.965 12.763 1.709 17 H THR 3 H THR 3 -0.275 11.825 5.811 18 HA THR 3 HA THR 3 0.576 9.044 6.141 19 HB THR 3 HB THR 3 0.479 9.537 8.626 20 HG1 THR 3 1HG THR 3 1.195 12.046 8.566 21 HG21 THR 3 3HG2 THR 3 2.613 10.909 6.977 22 HG22 THR 3 1HG2 THR 3 2.594 9.208 7.443 23 HG23 THR 3 2HG2 THR 3 2.765 10.453 8.677 24 H ASN 4 H ASN 4 -0.804 7.750 7.481 25 HA ASN 4 HA ASN 4 -2.813 6.832 8.186 26 HB2 ASN 4 2HB ASN 4 -3.581 9.749 8.533 27 HB3 ASN 4 1HB ASN 4 -4.470 8.385 9.206 28 HD21 ASN 4 1HD2 ASN 4 -3.614 7.304 10.986 29 HD22 ASN 4 2HD2 ASN 4 -2.291 7.930 11.897 30 H ILE 5 H ILE 5 -2.464 7.027 5.505 31 HA ILE 5 HA ILE 5 -4.653 8.288 4.145 32 HB ILE 5 HB ILE 5 -2.640 6.291 3.135 33 HG12 ILE 5 2HG1 ILE 5 -2.594 9.311 3.213 34 HG13 ILE 5 1HG1 ILE 5 -1.544 8.134 4.034 35 HG21 ILE 5 1HG2 ILE 5 -4.581 6.442 1.689 36 HG22 ILE 5 2HG2 ILE 5 -3.168 7.156 0.916 37 HG23 ILE 5 3HG2 ILE 5 -4.427 8.205 1.603 38 HD11 ILE 5 3HD1 ILE 5 -0.632 7.425 2.003 39 HD12 ILE 5 1HD1 ILE 5 -0.496 9.197 2.091 40 HD13 ILE 5 2HD1 ILE 5 -1.752 8.432 1.091 41 H VAL 6 H VAL 6 -6.302 7.336 3.120 42 HA VAL 6 HA VAL 6 -7.110 4.665 3.999 43 HB VAL 6 HB VAL 6 -8.648 6.946 2.785 44 HG11 VAL 6 1HG1 VAL 6 -9.532 4.896 1.944 45 HG12 VAL 6 2HG1 VAL 6 -10.680 5.586 3.087 46 HG13 VAL 6 3HG1 VAL 6 -9.665 4.207 3.562 47 HG21 VAL 6 3HG2 VAL 6 -8.758 5.708 5.530 48 HG22 VAL 6 1HG2 VAL 6 -9.833 6.977 4.940 49 HG23 VAL 6 2HG2 VAL 6 -8.105 7.294 5.116 50 H GLY 7 H GLY 7 -7.187 3.090 2.558 51 HA2 GLY 7 2HA GLY 7 -8.344 3.453 0.161 52 HA3 GLY 7 1HA GLY 7 -6.689 3.334 -0.284 53 H LYS 8 H LYS 8 -8.346 1.660 -1.258 54 HA LYS 8 HA LYS 8 -8.372 -0.795 0.293 55 HB2 LYS 8 2HB LYS 8 -10.438 -0.163 -0.796 56 HB3 LYS 8 1HB LYS 8 -9.596 0.038 -2.328 57 HG2 LYS 8 2HG LYS 8 -9.145 -2.356 -2.401 58 HG3 LYS 8 1HG LYS 8 -9.974 -2.568 -0.859 59 HD2 LYS 8 2HD LYS 8 -11.268 -1.427 -3.335 60 HD3 LYS 8 1HD LYS 8 -11.355 -3.127 -2.869 61 HE2 LYS 8 2HE LYS 8 -12.476 -2.545 -0.817 62 HE3 LYS 8 1HE LYS 8 -12.305 -0.827 -1.158 63 HZ1 LYS 8 3HZ LYS 8 -13.856 -2.706 -2.868 64 HZ2 LYS 8 1HZ LYS 8 -13.747 -1.028 -3.007 65 HZ3 LYS 8 2HZ LYS 8 -14.523 -1.732 -1.681 66 H VAL 9 H VAL 9 -7.192 -2.525 -0.342 67 HA VAL 9 HA VAL 9 -4.888 -2.204 -1.887 68 HB VAL 9 HB VAL 9 -6.365 -4.790 -1.235 69 HG11 VAL 9 1HG1 VAL 9 -4.798 -5.084 -3.108 70 HG12 VAL 9 2HG1 VAL 9 -4.227 -5.907 -1.655 71 HG13 VAL 9 3HG1 VAL 9 -3.507 -4.371 -2.135 72 HG21 VAL 9 3HG2 VAL 9 -4.047 -3.449 0.155 73 HG22 VAL 9 1HG2 VAL 9 -4.734 -5.019 0.574 74 HG23 VAL 9 2HG2 VAL 9 -5.700 -3.555 0.756 75 H LYS 10 H LYS 10 -4.885 -1.673 -3.854 76 HA LYS 10 HA LYS 10 -7.072 -1.875 -5.639 77 HB2 LYS 10 2HB LYS 10 -5.462 -0.038 -5.558 78 HB3 LYS 10 1HB LYS 10 -4.182 -1.130 -6.012 79 HG2 LYS 10 2HG LYS 10 -5.174 -1.369 -8.225 80 HG3 LYS 10 1HG LYS 10 -6.503 -0.321 -7.716 81 HD2 LYS 10 2HD LYS 10 -5.032 1.520 -7.328 82 HD3 LYS 10 1HD LYS 10 -3.626 0.500 -7.590 83 HE2 LYS 10 2HE LYS 10 -4.048 1.950 -9.421 84 HE3 LYS 10 1HE LYS 10 -4.187 0.260 -9.900 85 HZ1 LYS 10 3HZ LYS 10 -6.447 2.101 -9.306 86 HZ2 LYS 10 1HZ LYS 10 -6.629 0.498 -9.793 87 HZ3 LYS 10 2HZ LYS 10 -5.955 1.644 -10.850 88 H TRP 11 H TRP 11 -3.872 -3.379 -5.525 89 HA TRP 11 HA TRP 11 -4.863 -5.897 -6.125 90 HB2 TRP 11 2HB TRP 11 -3.629 -6.380 -8.199 91 HB3 TRP 11 1HB TRP 11 -4.905 -5.239 -8.490 92 HD1 TRP 11 HD TRP 11 -4.063 -2.682 -9.084 93 HE1 TRP 11 1HE TRP 11 -1.867 -1.858 -10.134 94 HE3 TRP 11 3HE TRP 11 -1.258 -6.799 -8.264 95 HZ2 TRP 11 2HZ TRP 11 0.757 -2.864 -10.561 96 HZ3 TRP 11 3HZ TRP 11 1.112 -6.822 -9.020 97 HH2 TRP 11 HH TRP 11 2.084 -4.889 -10.145 98 H TYR 12 H TYR 12 -3.202 -7.460 -6.074 99 HA TYR 12 HA TYR 12 -0.588 -6.660 -5.194 100 HB2 TYR 12 2HB TYR 12 -1.846 -6.182 -3.149 101 HB3 TYR 12 1HB TYR 12 -2.551 -7.786 -3.185 102 HD1 TYR 12 2HD TYR 12 0.625 -5.928 -2.698 103 HD2 TYR 12 1HD TYR 12 -1.418 -9.622 -2.193 104 HE1 TYR 12 2HE TYR 12 2.439 -6.734 -1.240 105 HE2 TYR 12 1HE TYR 12 0.388 -10.438 -0.743 106 HH TYR 12 HH TYR 12 2.709 -10.020 -0.249 107 H ASN 13 H ASN 13 0.453 -8.072 -6.356 108 HA ASN 13 HA ASN 13 -0.532 -10.791 -6.620 109 HB2 ASN 13 2HB ASN 13 2.061 -9.570 -7.628 110 HB3 ASN 13 1HB ASN 13 1.467 -11.169 -8.028 111 HD21 ASN 13 1HD2 ASN 13 -1.353 -10.095 -8.339 112 HD22 ASN 13 2HD2 ASN 13 -1.328 -9.289 -9.848 113 H SER 14 H SER 14 -0.236 -12.015 -4.890 114 HA SER 14 HA SER 14 1.512 -11.329 -2.823 115 HB2 SER 14 2HB SER 14 0.846 -13.581 -1.895 116 HB3 SER 14 1HB SER 14 -0.478 -12.478 -2.278 117 HG SER 14 HG SER 14 -1.163 -14.156 -3.276 118 H THR 15 H THR 15 2.017 -13.359 -5.596 119 HA THR 15 HA THR 15 4.280 -14.726 -4.584 120 HB THR 15 HB THR 15 3.543 -14.106 -7.453 121 HG1 THR 15 1HG THR 15 2.678 -16.070 -5.610 122 HG21 THR 15 3HG2 THR 15 5.841 -14.960 -7.182 123 HG22 THR 15 1HG2 THR 15 4.811 -16.151 -7.981 124 HG23 THR 15 2HG2 THR 15 5.216 -16.340 -6.276 125 H LYS 16 H LYS 16 3.772 -11.603 -6.130 126 HA LYS 16 HA LYS 16 6.665 -11.111 -6.394 127 HB2 LYS 16 2HB LYS 16 4.283 -9.402 -7.132 128 HB3 LYS 16 1HB LYS 16 5.956 -8.984 -7.423 129 HG2 LYS 16 2HG LYS 16 6.157 -10.795 -9.025 130 HG3 LYS 16 1HG LYS 16 4.506 -11.321 -8.666 131 HD2 LYS 16 2HD LYS 16 3.624 -9.193 -9.446 132 HD3 LYS 16 1HD LYS 16 5.247 -8.591 -9.745 133 HE2 LYS 16 2HE LYS 16 3.961 -10.942 -11.142 134 HE3 LYS 16 1HE LYS 16 4.069 -9.313 -11.802 135 HZ1 LYS 16 3HZ LYS 16 6.507 -9.535 -11.738 136 HZ2 LYS 16 1HZ LYS 16 5.775 -10.687 -12.703 137 HZ3 LYS 16 2HZ LYS 16 6.353 -11.133 -11.196 138 H ASN 17 H ASN 17 4.182 -10.761 -4.166 139 HA ASN 17 HA ASN 17 3.704 -9.474 -2.341 140 HB2 ASN 17 2HB ASN 17 6.719 -9.146 -2.288 141 HB3 ASN 17 1HB ASN 17 5.632 -8.732 -0.971 142 HD21 ASN 17 1HD2 ASN 17 7.250 -11.195 -2.641 143 HD22 ASN 17 2HD2 ASN 17 6.862 -12.530 -1.620 144 H PHE 18 H PHE 18 3.501 -8.144 -4.820 145 HA PHE 18 HA PHE 18 4.091 -5.386 -4.040 146 HB2 PHE 18 2HB PHE 18 5.927 -6.267 -5.556 147 HB3 PHE 18 1HB PHE 18 4.659 -6.552 -6.742 148 HD1 PHE 18 1HD PHE 18 6.505 -3.926 -4.937 149 HD2 PHE 18 2HD PHE 18 3.829 -4.830 -8.118 150 HE1 PHE 18 1HE PHE 18 6.804 -1.661 -5.830 151 HE2 PHE 18 2HE PHE 18 4.116 -2.576 -9.010 152 HZ PHE 18 HZ PHE 18 5.611 -0.975 -7.866 153 H GLY 19 H GLY 19 2.765 -3.887 -5.157 154 HA2 GLY 19 2HA GLY 19 0.862 -4.422 -7.095 155 HA3 GLY 19 1HA GLY 19 0.093 -4.721 -5.541 156 H PHE 20 H PHE 20 -1.311 -3.007 -5.868 157 HA PHE 20 HA PHE 20 -0.180 -0.397 -5.209 158 HB2 PHE 20 2HB PHE 20 -2.049 -0.925 -7.504 159 HB3 PHE 20 1HB PHE 20 -2.014 0.612 -6.640 160 HD1 PHE 20 1HD PHE 20 0.121 -1.718 -8.612 161 HD2 PHE 20 2HD PHE 20 -0.504 2.265 -7.288 162 HE1 PHE 20 1HE PHE 20 1.920 -0.947 -10.095 163 HE2 PHE 20 2HE PHE 20 1.294 3.049 -8.773 164 HZ PHE 20 HZ PHE 20 2.508 1.443 -10.180 165 H ILE 21 H ILE 21 -1.957 1.156 -4.600 166 HA ILE 21 HA ILE 21 -4.259 -0.107 -3.308 167 HB ILE 21 HB ILE 21 -2.278 1.649 -1.796 168 HG12 ILE 21 2HG1 ILE 21 -2.850 -1.307 -1.466 169 HG13 ILE 21 1HG1 ILE 21 -1.393 -0.632 -2.156 170 HG21 ILE 21 1HG2 ILE 21 -4.575 1.988 -1.103 171 HG22 ILE 21 2HG2 ILE 21 -3.664 1.149 0.155 172 HG23 ILE 21 3HG2 ILE 21 -4.779 0.253 -0.876 173 HD11 ILE 21 3HD1 ILE 21 -2.306 -0.216 0.681 174 HD12 ILE 21 1HD1 ILE 21 -0.825 0.407 -0.035 175 HD13 ILE 21 2HD1 ILE 21 -1.045 -1.335 0.164 176 H GLU 22 H GLU 22 -6.037 1.245 -3.576 177 HA GLU 22 HA GLU 22 -5.602 4.116 -3.545 178 HB2 GLU 22 2HB GLU 22 -6.973 4.548 -5.491 179 HB3 GLU 22 1HB GLU 22 -5.643 3.512 -5.976 180 HG2 GLU 22 2HG GLU 22 -7.137 1.569 -5.951 181 HG3 GLU 22 1HG GLU 22 -8.420 2.633 -5.352 182 H GLN 23 H GLN 23 -7.415 5.190 -2.728 183 HA GLN 23 HA GLN 23 -9.326 3.429 -1.452 184 HB2 GLN 23 2HB GLN 23 -10.337 5.426 -0.468 185 HB3 GLN 23 1HB GLN 23 -8.600 5.463 -0.229 186 HG2 GLN 23 2HG GLN 23 -8.451 6.936 -2.194 187 HG3 GLN 23 1HG GLN 23 -10.206 7.013 -2.213 188 HE21 GLN 23 1HE2 GLN 23 -7.350 7.828 -0.461 189 HE22 GLN 23 2HE2 GLN 23 -8.027 9.056 0.512 190 H ASP 24 H ASP 24 -11.427 3.327 -1.813 191 HA ASP 24 HA ASP 24 -12.292 3.118 -4.415 192 HB2 ASP 24 2HB ASP 24 -13.909 3.550 -1.914 193 HB3 ASP 24 1HB ASP 24 -14.561 3.080 -3.471 194 H ASN 25 H ASN 25 -12.193 5.943 -2.412 195 HA ASN 25 HA ASN 25 -14.131 7.443 -3.844 196 HB2 ASN 25 2HB ASN 25 -12.000 8.330 -1.910 197 HB3 ASN 25 1HB ASN 25 -13.341 9.309 -2.482 198 HD21 ASN 25 1HD2 ASN 25 -15.362 8.846 -1.794 199 HD22 ASN 25 2HD2 ASN 25 -15.708 7.884 -0.399 200 H GLY 26 H GLY 26 -11.053 6.473 -4.750 201 HA2 GLY 26 2HA GLY 26 -10.291 7.233 -6.909 202 HA3 GLY 26 1HA GLY 26 -10.882 8.831 -6.487 203 H GLY 27 H GLY 27 -8.812 6.526 -4.782 204 HA2 GLY 27 2HA GLY 27 -7.049 8.711 -4.123 205 HA3 GLY 27 1HA GLY 27 -6.797 7.067 -3.586 206 H LYS 28 H LYS 28 -4.804 8.826 -4.748 207 HA LYS 28 HA LYS 28 -4.431 8.285 -7.519 208 HB2 LYS 28 2HB LYS 28 -2.417 9.228 -5.488 209 HB3 LYS 28 1HB LYS 28 -2.189 9.224 -7.225 210 HG2 LYS 28 2HG LYS 28 -4.106 10.791 -7.423 211 HG3 LYS 28 1HG LYS 28 -4.164 10.847 -5.658 212 HD2 LYS 28 2HD LYS 28 -1.853 11.642 -5.608 213 HD3 LYS 28 1HD LYS 28 -1.824 11.564 -7.373 214 HE2 LYS 28 2HE LYS 28 -3.620 13.228 -7.472 215 HE3 LYS 28 1HE LYS 28 -3.623 13.312 -5.712 216 HZ1 LYS 28 3HZ LYS 28 -2.368 15.122 -6.664 217 HZ2 LYS 28 1HZ LYS 28 -1.373 14.061 -7.498 218 HZ3 LYS 28 2HZ LYS 28 -1.319 14.115 -5.814 219 H ASP 29 H ASP 29 -2.531 7.202 -8.439 220 HA ASP 29 HA ASP 29 -2.277 4.535 -7.548 221 HB2 ASP 29 2HB ASP 29 -0.598 6.040 -9.570 222 HB3 ASP 29 1HB ASP 29 -0.422 4.332 -9.231 223 H VAL 30 H VAL 30 -1.402 4.205 -5.649 224 HA VAL 30 HA VAL 30 1.407 4.857 -5.481 225 HB VAL 30 HB VAL 30 0.415 6.266 -3.790 226 HG11 VAL 30 1HG1 VAL 30 -1.756 5.099 -3.540 227 HG12 VAL 30 2HG1 VAL 30 -0.943 5.514 -2.027 228 HG13 VAL 30 3HG1 VAL 30 -0.901 3.839 -2.607 229 HG21 VAL 30 3HG2 VAL 30 1.596 3.811 -2.552 230 HG22 VAL 30 1HG2 VAL 30 1.322 5.336 -1.718 231 HG23 VAL 30 2HG2 VAL 30 2.437 5.269 -3.085 232 H PHE 31 H PHE 31 2.699 3.191 -5.312 233 HA PHE 31 HA PHE 31 1.374 0.648 -5.344 234 HB2 PHE 31 2HB PHE 31 3.565 -0.283 -6.086 235 HB3 PHE 31 1HB PHE 31 2.862 0.920 -7.160 236 HD1 PHE 31 1HD PHE 31 5.595 0.128 -4.857 237 HD2 PHE 31 2HD PHE 31 3.974 3.030 -7.505 238 HE1 PHE 31 1HE PHE 31 7.747 1.313 -4.868 239 HE2 PHE 31 2HE PHE 31 6.110 4.225 -7.519 240 HZ PHE 31 HZ PHE 31 8.009 3.369 -6.201 241 H VAL 32 H VAL 32 1.993 -1.131 -4.162 242 HA VAL 32 HA VAL 32 3.152 -0.367 -1.602 243 HB VAL 32 HB VAL 32 0.824 -1.150 -1.414 244 HG11 VAL 32 1HG1 VAL 32 1.784 -3.758 -2.554 245 HG12 VAL 32 2HG1 VAL 32 0.667 -2.624 -3.312 246 HG13 VAL 32 3HG1 VAL 32 0.198 -3.475 -1.839 247 HG21 VAL 32 3HG2 VAL 32 1.156 -2.914 0.287 248 HG22 VAL 32 1HG2 VAL 32 2.240 -1.557 0.511 249 HG23 VAL 32 2HG2 VAL 32 2.837 -3.056 -0.207 250 H HIS 33 H HIS 33 4.953 -1.180 -1.034 251 HA HIS 33 HA HIS 33 6.161 -3.452 -2.523 252 HB2 HIS 33 2HB HIS 33 7.293 -1.229 -2.799 253 HB3 HIS 33 1HB HIS 33 7.476 -1.142 -1.049 254 HD1 HIS 33 1HD HIS 33 8.258 -3.948 -3.504 255 HD2 HIS 33 2HD HIS 33 10.016 -1.695 -0.535 256 HE1 HIS 33 1HE HIS 33 10.443 -4.925 -3.197 257 HE2 HIS 33 2HE HIS 33 11.445 -3.709 -1.249 258 H LYS 34 H LYS 34 7.506 -4.918 -1.111 259 HA LYS 34 HA LYS 34 5.853 -5.431 1.147 260 HB2 LYS 34 2HB LYS 34 6.797 -7.336 -0.246 261 HB3 LYS 34 1HB LYS 34 8.358 -6.972 0.446 262 HG2 LYS 34 2HG LYS 34 7.663 -7.559 2.644 263 HG3 LYS 34 1HG LYS 34 5.979 -7.630 2.130 264 HD2 LYS 34 2HD LYS 34 6.437 -9.443 0.726 265 HD3 LYS 34 1HD LYS 34 8.161 -9.430 1.178 266 HE2 LYS 34 2HE LYS 34 7.524 -9.987 3.465 267 HE3 LYS 34 1HE LYS 34 5.817 -9.860 3.041 268 HZ1 LYS 34 3HZ LYS 34 6.469 -12.142 3.084 269 HZ2 LYS 34 1HZ LYS 34 7.733 -11.883 1.991 270 HZ3 LYS 34 2HZ LYS 34 6.124 -11.695 1.506 271 H SER 35 H SER 35 8.648 -3.659 0.776 272 HA SER 35 HA SER 35 9.637 -3.625 3.403 273 HB2 SER 35 2HB SER 35 10.667 -2.379 1.494 274 HB3 SER 35 1HB SER 35 9.334 -1.230 1.558 275 HG SER 35 HG SER 35 11.386 -1.700 3.410 276 H ALA 36 H ALA 36 6.597 -2.480 2.159 277 HA ALA 36 HA ALA 36 5.915 -0.847 4.405 278 HB1 ALA 36 1HB ALA 36 4.157 -2.223 2.437 279 HB2 ALA 36 2HB ALA 36 4.854 -0.606 2.210 280 HB3 ALA 36 3HB ALA 36 3.712 -0.905 3.534 281 H VAL 37 H VAL 37 5.384 -4.183 3.372 282 HA VAL 37 HA VAL 37 3.816 -4.927 5.589 283 HB VAL 37 HB VAL 37 5.614 -6.718 3.857 284 HG11 VAL 37 1HG1 VAL 37 3.423 -7.504 5.795 285 HG12 VAL 37 2HG1 VAL 37 5.117 -7.665 6.126 286 HG13 VAL 37 3HG1 VAL 37 4.388 -8.603 4.810 287 HG21 VAL 37 3HG2 VAL 37 3.788 -5.624 2.599 288 HG22 VAL 37 1HG2 VAL 37 2.620 -6.229 3.771 289 HG23 VAL 37 2HG2 VAL 37 3.514 -7.356 2.761 290 H ASP 38 H ASP 38 7.234 -5.002 4.901 291 HA ASP 38 HA ASP 38 8.207 -6.069 7.277 292 HB2 ASP 38 2HB ASP 38 9.719 -5.705 5.456 293 HB3 ASP 38 1HB ASP 38 9.371 -3.980 5.452 294 H ALA 39 H ALA 39 7.151 -2.792 6.556 295 HA ALA 39 HA ALA 39 8.220 -1.569 8.847 296 HB1 ALA 39 1HB ALA 39 7.498 -0.326 6.869 297 HB2 ALA 39 2HB ALA 39 6.760 0.305 8.342 298 HB3 ALA 39 3HB ALA 39 5.821 -0.709 7.246 299 H ALA 40 H ALA 40 5.312 -3.453 8.479 300 HA ALA 40 HA ALA 40 4.725 -2.894 11.332 301 HB1 ALA 40 1HB ALA 40 2.340 -2.837 10.930 302 HB2 ALA 40 2HB ALA 40 2.603 -3.141 9.212 303 HB3 ALA 40 3HB ALA 40 3.157 -1.632 9.934 304 H GLY 41 H GLY 41 5.173 -5.264 8.982 305 HA2 GLY 41 2HA GLY 41 5.108 -7.499 9.023 306 HA3 GLY 41 1HA GLY 41 4.672 -7.496 10.716 307 H LEU 42 H LEU 42 3.243 -6.206 7.796 308 HA LEU 42 HA LEU 42 0.565 -6.535 8.559 309 HB2 LEU 42 2HB LEU 42 1.710 -5.004 6.819 310 HB3 LEU 42 1HB LEU 42 1.618 -6.374 5.746 311 HG LEU 42 HG LEU 42 -0.112 -4.784 5.306 312 HD11 LEU 42 1HD1 LEU 42 -1.261 -7.283 6.519 313 HD12 LEU 42 2HD1 LEU 42 -0.687 -7.091 4.864 314 HD13 LEU 42 3HD1 LEU 42 -2.108 -6.204 5.413 315 HD21 LEU 42 3HD2 LEU 42 -1.897 -4.317 6.908 316 HD22 LEU 42 1HD2 LEU 42 -0.318 -3.775 7.472 317 HD23 LEU 42 2HD2 LEU 42 -1.028 -5.247 8.126 318 H HIS 43 H HIS 43 -0.673 -8.301 8.443 319 HA HIS 43 HA HIS 43 0.186 -10.907 8.172 320 HB2 HIS 43 2HB HIS 43 -2.602 -9.908 7.567 321 HB3 HIS 43 1HB HIS 43 -2.189 -11.600 7.743 322 HD1 HIS 43 1HD HIS 43 -1.904 -12.481 10.168 323 HD2 HIS 43 2HD HIS 43 -2.697 -8.416 9.930 324 HE1 HIS 43 1HE HIS 43 -2.467 -11.772 12.493 325 HE2 HIS 43 2HE HIS 43 -3.002 -9.324 12.323 326 H SER 44 H SER 44 -1.708 -9.290 5.612 327 HA SER 44 HA SER 44 -0.163 -10.060 3.476 328 HB2 SER 44 2HB SER 44 -1.734 -11.804 2.500 329 HB3 SER 44 1HB SER 44 -0.784 -12.369 3.871 330 HG SER 44 HG SER 44 -2.518 -12.710 4.900 331 H LEU 45 H LEU 45 -1.388 -9.591 1.418 332 HA LEU 45 HA LEU 45 -3.600 -7.758 1.975 333 HB2 LEU 45 2HB LEU 45 -1.432 -7.471 -0.086 334 HB3 LEU 45 1HB LEU 45 -2.794 -6.405 0.109 335 HG LEU 45 HG LEU 45 -0.649 -6.774 2.205 336 HD11 LEU 45 1HD1 LEU 45 -1.066 -4.536 0.221 337 HD12 LEU 45 2HD1 LEU 45 0.225 -5.738 0.176 338 HD13 LEU 45 3HD1 LEU 45 0.147 -4.594 1.504 339 HD21 LEU 45 3HD2 LEU 45 -2.890 -4.767 1.939 340 HD22 LEU 45 1HD2 LEU 45 -1.655 -4.776 3.195 341 HD23 LEU 45 2HD2 LEU 45 -2.821 -6.092 3.101 342 H GLU 46 H GLU 46 -5.155 -7.679 0.419 343 HA GLU 46 HA GLU 46 -5.011 -9.321 -1.905 344 HB2 GLU 46 2HB GLU 46 -7.041 -10.628 -1.346 345 HB3 GLU 46 1HB GLU 46 -5.708 -10.987 -0.259 346 HG2 GLU 46 2HG GLU 46 -6.687 -9.579 1.438 347 HG3 GLU 46 1HG GLU 46 -8.010 -9.155 0.350 348 H GLU 47 H GLU 47 -6.671 -8.713 -3.438 349 HA GLU 47 HA GLU 47 -7.425 -6.104 -3.381 350 HB2 GLU 47 2HB GLU 47 -7.061 -7.798 -5.245 351 HB3 GLU 47 1HB GLU 47 -8.653 -8.394 -4.811 352 HG2 GLU 47 2HG GLU 47 -8.109 -5.609 -5.645 353 HG3 GLU 47 1HG GLU 47 -8.449 -6.956 -6.738 354 H GLY 48 H GLY 48 -9.083 -5.207 -2.509 355 HA2 GLY 48 2HA GLY 48 -11.444 -5.148 -1.871 356 HA3 GLY 48 1HA GLY 48 -11.312 -6.847 -1.437 357 H GLN 49 H GLN 49 -8.603 -5.938 -0.135 358 HA GLN 49 HA GLN 49 -9.732 -5.455 2.461 359 HB2 GLN 49 2HB GLN 49 -7.004 -5.923 1.374 360 HB3 GLN 49 1HB GLN 49 -7.159 -5.276 2.988 361 HG2 GLN 49 2HG GLN 49 -8.651 -7.690 2.171 362 HG3 GLN 49 1HG GLN 49 -6.933 -7.856 2.608 363 HE21 GLN 49 1HE2 GLN 49 -9.206 -5.615 4.167 364 HE22 GLN 49 2HE2 GLN 49 -9.237 -6.454 5.661 365 H ASP 50 H ASP 50 -9.982 -3.540 3.428 366 HA ASP 50 HA ASP 50 -8.924 -1.178 2.138 367 HB2 ASP 50 2HB ASP 50 -10.615 -1.535 4.628 368 HB3 ASP 50 1HB ASP 50 -10.021 0.025 4.085 369 H VAL 51 H VAL 51 -7.176 -0.121 2.809 370 HA VAL 51 HA VAL 51 -5.970 -1.081 5.242 371 HB VAL 51 HB VAL 51 -5.104 -2.394 3.411 372 HG11 VAL 51 1HG1 VAL 51 -5.280 -0.859 1.550 373 HG12 VAL 51 2HG1 VAL 51 -3.621 -1.411 1.695 374 HG13 VAL 51 3HG1 VAL 51 -4.076 0.191 2.294 375 HG21 VAL 51 3HG2 VAL 51 -3.075 -0.540 4.615 376 HG22 VAL 51 1HG2 VAL 51 -2.699 -2.101 3.858 377 HG23 VAL 51 2HG2 VAL 51 -3.731 -2.018 5.304 378 H ILE 52 H ILE 52 -4.632 0.287 6.166 379 HA ILE 52 HA ILE 52 -4.840 3.095 5.307 380 HB ILE 52 HB ILE 52 -4.583 1.947 8.117 381 HG12 ILE 52 2HG1 ILE 52 -6.978 3.240 6.787 382 HG13 ILE 52 1HG1 ILE 52 -6.771 1.508 6.983 383 HG21 ILE 52 1HG2 ILE 52 -5.067 4.248 8.843 384 HG22 ILE 52 2HG2 ILE 52 -5.043 4.780 7.164 385 HG23 ILE 52 3HG2 ILE 52 -3.567 4.169 7.913 386 HD11 ILE 52 3HD1 ILE 52 -6.814 1.762 9.380 387 HD12 ILE 52 1HD1 ILE 52 -8.264 2.432 8.646 388 HD13 ILE 52 2HD1 ILE 52 -6.988 3.518 9.214 389 H PHE 53 H PHE 53 -2.870 4.164 5.077 390 HA PHE 53 HA PHE 53 -0.477 2.856 6.090 391 HB2 PHE 53 2HB PHE 53 0.579 2.991 3.859 392 HB3 PHE 53 1HB PHE 53 -0.639 1.752 3.926 393 HD1 PHE 53 1HD PHE 53 -2.925 2.299 2.883 394 HD2 PHE 53 2HD PHE 53 0.533 4.715 2.285 395 HE1 PHE 53 1HE PHE 53 -3.946 3.266 0.889 396 HE2 PHE 53 2HE PHE 53 -0.490 5.680 0.282 397 HZ PHE 53 HZ PHE 53 -2.732 4.954 -0.426 398 H ASP 54 H ASP 54 1.463 4.212 5.081 399 HA ASP 54 HA ASP 54 0.670 7.003 5.130 400 HB2 ASP 54 2HB ASP 54 3.226 5.810 6.266 401 HB3 ASP 54 1HB ASP 54 2.821 7.519 6.221 402 H LEU 55 H LEU 55 1.951 8.255 3.705 403 HA LEU 55 HA LEU 55 3.178 6.545 1.707 404 HB2 LEU 55 2HB LEU 55 1.137 7.394 0.855 405 HB3 LEU 55 1HB LEU 55 1.572 8.995 1.425 406 HG LEU 55 HG LEU 55 3.090 9.334 -0.384 407 HD11 LEU 55 1HD1 LEU 55 4.147 7.142 -0.323 408 HD12 LEU 55 2HD1 LEU 55 3.678 7.572 -1.956 409 HD13 LEU 55 3HD1 LEU 55 2.712 6.417 -1.026 410 HD21 LEU 55 3HD2 LEU 55 1.695 8.982 -2.334 411 HD22 LEU 55 1HD2 LEU 55 0.719 9.530 -0.970 412 HD23 LEU 55 2HD2 LEU 55 0.699 7.830 -1.448 413 H GLU 56 H GLU 56 5.055 6.759 1.432 414 HA GLU 56 HA GLU 56 6.391 9.307 1.835 415 HB2 GLU 56 2HB GLU 56 7.472 6.595 2.650 416 HB3 GLU 56 1HB GLU 56 8.364 8.114 2.731 417 HG2 GLU 56 2HG GLU 56 6.619 8.987 4.258 418 HG3 GLU 56 1HG GLU 56 5.887 7.395 4.269 419 H GLU 57 H GLU 57 8.428 9.402 0.599 420 HA GLU 57 HA GLU 57 7.727 8.355 -2.009 421 HB2 GLU 57 2HB GLU 57 9.686 10.508 -1.272 422 HB3 GLU 57 1HB GLU 57 9.183 10.072 -2.900 423 HG2 GLU 57 2HG GLU 57 6.897 10.746 -2.362 424 HG3 GLU 57 1HG GLU 57 7.416 11.192 -0.737 425 H LYS 58 H LYS 58 9.003 7.228 -3.225 426 HA LYS 58 HA LYS 58 11.439 6.056 -2.083 427 HB2 LYS 58 2HB LYS 58 9.734 4.472 -2.891 428 HB3 LYS 58 1HB LYS 58 9.722 5.245 -4.455 429 HG2 LYS 58 2HG LYS 58 12.115 4.564 -4.724 430 HG3 LYS 58 1HG LYS 58 11.964 3.652 -3.221 431 HD2 LYS 58 2HD LYS 58 10.172 2.315 -4.204 432 HD3 LYS 58 1HD LYS 58 10.288 3.245 -5.698 433 HE2 LYS 58 2HE LYS 58 12.627 2.492 -5.939 434 HE3 LYS 58 1HE LYS 58 12.429 1.500 -4.498 435 HZ1 LYS 58 3HZ LYS 58 10.927 1.202 -7.049 436 HZ2 LYS 58 1HZ LYS 58 10.660 0.289 -5.649 437 HZ3 LYS 58 2HZ LYS 58 12.128 0.192 -6.457 438 H GLN 59 H GLN 59 12.604 7.960 -2.435 439 HA GLN 59 HA GLN 59 13.929 9.427 -3.443 440 HB2 GLN 59 2HB GLN 59 14.861 7.452 -4.654 441 HB3 GLN 59 1HB GLN 59 13.676 7.698 -5.928 442 HG2 GLN 59 2HG GLN 59 15.810 8.587 -6.606 443 HG3 GLN 59 1HG GLN 59 14.655 9.903 -6.390 444 HE21 GLN 59 1HE2 GLN 59 14.930 11.323 -4.636 445 HE22 GLN 59 2HE2 GLN 59 16.395 11.404 -3.756 446 H GLY 60 H GLY 60 11.788 8.547 -6.116 447 HA2 GLY 60 2HA GLY 60 10.531 11.202 -5.932 448 HA3 GLY 60 1HA GLY 60 11.149 10.654 -7.486 449 H LYS 61 H LYS 61 10.145 7.948 -5.980 450 HA LYS 61 HA LYS 61 7.611 7.954 -7.438 451 HB2 LYS 61 2HB LYS 61 9.134 5.647 -6.193 452 HB3 LYS 61 1HB LYS 61 7.720 5.516 -7.220 453 HG2 LYS 61 2HG LYS 61 10.420 6.568 -8.059 454 HG3 LYS 61 1HG LYS 61 9.792 4.961 -8.400 455 HD2 LYS 61 2HD LYS 61 8.563 7.553 -9.357 456 HD3 LYS 61 1HD LYS 61 9.601 6.511 -10.318 457 HE2 LYS 61 2HE LYS 61 7.955 4.686 -10.101 458 HE3 LYS 61 1HE LYS 61 6.919 5.744 -9.148 459 HZ1 LYS 61 3HZ LYS 61 6.779 7.225 -11.071 460 HZ2 LYS 61 1HZ LYS 61 6.205 5.689 -11.469 461 HZ3 LYS 61 2HZ LYS 61 7.737 6.193 -11.958 462 H ALA 62 H ALA 62 5.814 6.726 -6.295 463 HA ALA 62 HA ALA 62 5.764 7.520 -3.458 464 HB1 ALA 62 1HB ALA 62 4.273 8.913 -4.780 465 HB2 ALA 62 2HB ALA 62 3.270 7.809 -3.815 466 HB3 ALA 62 3HB ALA 62 3.552 7.491 -5.507 467 H TYR 63 H TYR 63 5.763 5.755 -2.123 468 HA TYR 63 HA TYR 63 4.174 3.484 -3.000 469 HB2 TYR 63 2HB TYR 63 5.763 1.878 -2.194 470 HB3 TYR 63 1HB TYR 63 6.505 2.892 -3.406 471 HD1 TYR 63 2HD TYR 63 7.510 5.183 -1.848 472 HD2 TYR 63 1HD TYR 63 7.348 1.073 -0.781 473 HE1 TYR 63 2HE TYR 63 9.366 5.519 -0.282 474 HE2 TYR 63 1HE TYR 63 9.204 1.401 0.791 475 HH TYR 63 HH TYR 63 10.261 4.481 1.719 476 H ALA 64 H ALA 64 3.123 2.444 -1.558 477 HA ALA 64 HA ALA 64 2.370 3.765 0.924 478 HB1 ALA 64 1HB ALA 64 0.845 1.889 1.165 479 HB2 ALA 64 2HB ALA 64 1.632 1.045 -0.169 480 HB3 ALA 64 3HB ALA 64 0.745 2.537 -0.472 481 H VAL 65 H VAL 65 3.022 3.413 2.853 482 HA VAL 65 HA VAL 65 4.602 1.039 3.448 483 HB VAL 65 HB VAL 65 6.249 2.334 4.743 484 HG11 VAL 65 1HG1 VAL 65 6.844 1.718 2.494 485 HG12 VAL 65 2HG1 VAL 65 7.538 3.290 2.902 486 HG13 VAL 65 3HG1 VAL 65 6.111 3.194 1.871 487 HG21 VAL 65 3HG2 VAL 65 4.950 4.777 3.542 488 HG22 VAL 65 1HG2 VAL 65 6.450 4.768 4.471 489 HG23 VAL 65 2HG2 VAL 65 4.932 4.312 5.245 490 H ASN 66 H ASN 66 4.802 0.672 5.726 491 HA ASN 66 HA ASN 66 4.008 0.481 7.860 492 HB2 ASN 66 2HB ASN 66 4.538 3.091 7.653 493 HB3 ASN 66 1HB ASN 66 2.829 3.207 7.562 494 HD21 ASN 66 1HD2 ASN 66 4.718 4.061 9.661 495 HD22 ASN 66 2HD2 ASN 66 4.066 3.439 11.131 496 H LEU 67 H LEU 67 2.466 -0.974 6.534 497 HA LEU 67 HA LEU 67 -0.133 0.143 6.067 498 HB2 LEU 67 2HB LEU 67 0.730 -2.711 5.857 499 HB3 LEU 67 1HB LEU 67 -0.774 -2.042 5.286 500 HG LEU 67 HG LEU 67 1.985 -1.706 4.109 501 HD11 LEU 67 1HD1 LEU 67 0.744 -3.663 3.602 502 HD12 LEU 67 2HD1 LEU 67 0.901 -2.568 2.200 503 HD13 LEU 67 3HD1 LEU 67 -0.610 -2.610 3.138 504 HD21 LEU 67 3HD2 LEU 67 -0.518 -0.221 3.351 505 HD22 LEU 67 1HD2 LEU 67 1.018 -0.208 2.479 506 HD23 LEU 67 2HD2 LEU 67 0.928 0.495 4.090 507 H ARG 68 H ARG 68 -1.990 -0.237 7.102 508 HA ARG 68 HA ARG 68 -2.091 -2.043 9.377 509 HB2 ARG 68 2HB ARG 68 -2.981 0.767 9.066 510 HB3 ARG 68 1HB ARG 68 -3.818 -0.282 10.182 511 HG2 ARG 68 2HG ARG 68 -2.302 0.801 11.588 512 HG3 ARG 68 1HG ARG 68 -1.262 -0.519 11.050 513 HD2 ARG 68 2HD ARG 68 -0.017 1.474 10.823 514 HD3 ARG 68 1HD ARG 68 -0.499 1.002 9.193 515 HE ARG 68 HE ARG 68 -2.435 2.730 10.214 516 HH11 ARG 68 1HH1 ARG 68 0.866 2.802 9.112 517 HH12 ARG 68 2HH1 ARG 68 0.954 4.464 8.782 518 HH21 ARG 68 1HH2 ARG 68 -2.423 5.077 9.750 519 HH22 ARG 68 2HH2 ARG 68 -0.974 5.770 9.135 520 H ILE 69 H ILE 69 -3.970 -3.335 9.239 521 HA ILE 69 HA ILE 69 -5.546 -2.899 6.836 522 HB ILE 69 HB ILE 69 -6.297 -4.988 8.942 523 HG12 ILE 69 2HG1 ILE 69 -5.121 -6.680 7.403 524 HG13 ILE 69 1HG1 ILE 69 -4.249 -5.310 6.739 525 HG21 ILE 69 1HG2 ILE 69 -7.313 -6.151 7.109 526 HG22 ILE 69 2HG2 ILE 69 -6.838 -4.848 6.022 527 HG23 ILE 69 3HG2 ILE 69 -7.961 -4.530 7.346 528 HD11 ILE 69 3HD1 ILE 69 -4.182 -6.200 9.614 529 HD12 ILE 69 1HD1 ILE 69 -3.254 -4.866 8.912 530 HD13 ILE 69 2HD1 ILE 69 -2.946 -6.520 8.401 531 H LYS 70 H LYS 70 -7.602 -2.108 6.832 532 HA LYS 70 HA LYS 70 -8.513 -0.609 9.027 533 HB2 LYS 70 2HB LYS 70 -9.207 -0.219 6.616 534 HB3 LYS 70 1HB LYS 70 -10.135 -1.692 6.729 535 HG2 LYS 70 2HG LYS 70 -11.457 -0.792 8.517 536 HG3 LYS 70 1HG LYS 70 -10.560 0.725 8.408 537 HD2 LYS 70 2HD LYS 70 -11.339 1.032 6.116 538 HD3 LYS 70 1HD LYS 70 -12.203 -0.504 6.195 539 HE2 LYS 70 2HE LYS 70 -13.550 0.369 8.041 540 HE3 LYS 70 1HE LYS 70 -12.718 1.917 7.899 541 HZ1 LYS 70 3HZ LYS 70 -14.854 1.941 6.749 542 HZ2 LYS 70 1HZ LYS 70 -14.390 0.662 5.784 543 HZ3 LYS 70 2HZ LYS 70 -13.602 2.144 5.652 Start of MODEL 15 1 H1 MET 1 1HT MET 1 6.631 11.800 2.939 2 H2 MET 1 2HT MET 1 5.124 11.359 2.321 3 H3 MET 1 3HT MET 1 5.521 11.018 3.914 4 HA MET 1 HA MET 1 5.679 13.374 4.420 5 HB2 MET 1 2HB MET 1 5.147 15.068 2.771 6 HB3 MET 1 1HB MET 1 6.472 14.074 2.198 7 HG2 MET 1 2HG MET 1 3.593 13.841 1.307 8 HG3 MET 1 1HG MET 1 4.882 14.631 0.406 9 HE1 MET 1 2HE MET 1 2.998 12.414 -0.869 10 HE2 MET 1 3HE MET 1 4.177 11.430 -1.736 11 HE3 MET 1 1HE MET 1 4.315 13.189 -1.746 12 H ALA 2 H ALA 2 3.459 11.049 3.652 13 HA ALA 2 HA ALA 2 1.312 12.749 4.650 14 HB1 ALA 2 1HB ALA 2 -0.263 11.661 3.100 15 HB2 ALA 2 2HB ALA 2 1.089 10.809 2.353 16 HB3 ALA 2 3HB ALA 2 0.987 12.566 2.244 17 H THR 3 H THR 3 0.630 11.894 6.504 18 HA THR 3 HA THR 3 1.029 9.038 6.951 19 HB THR 3 HB THR 3 0.727 9.666 9.372 20 HG1 THR 3 1HG THR 3 -0.362 11.610 9.163 21 HG21 THR 3 3HG2 THR 3 2.938 11.104 7.894 22 HG22 THR 3 1HG2 THR 3 2.968 9.418 8.403 23 HG23 THR 3 2HG2 THR 3 2.953 10.703 9.611 24 H ASN 4 H ASN 4 -0.543 7.764 7.772 25 HA ASN 4 HA ASN 4 -2.571 6.802 7.735 26 HB2 ASN 4 2HB ASN 4 -3.391 9.368 9.102 27 HB3 ASN 4 1HB ASN 4 -4.441 7.970 8.941 28 HD21 ASN 4 1HD2 ASN 4 -1.734 9.326 10.533 29 HD22 ASN 4 2HD2 ASN 4 -1.539 8.101 11.732 30 H ILE 5 H ILE 5 -2.595 6.756 5.548 31 HA ILE 5 HA ILE 5 -4.481 8.561 4.221 32 HB ILE 5 HB ILE 5 -2.578 6.515 3.096 33 HG12 ILE 5 2HG1 ILE 5 -2.387 9.511 3.361 34 HG13 ILE 5 1HG1 ILE 5 -1.407 8.252 4.114 35 HG21 ILE 5 1HG2 ILE 5 -4.492 6.842 1.643 36 HG22 ILE 5 2HG2 ILE 5 -3.031 7.516 0.923 37 HG23 ILE 5 3HG2 ILE 5 -4.237 8.597 1.644 38 HD11 ILE 5 3HD1 ILE 5 -0.506 7.600 2.042 39 HD12 ILE 5 1HD1 ILE 5 -0.280 9.344 2.249 40 HD13 ILE 5 2HD1 ILE 5 -1.564 8.745 1.190 41 H VAL 6 H VAL 6 -6.181 7.771 3.108 42 HA VAL 6 HA VAL 6 -7.204 5.180 3.908 43 HB VAL 6 HB VAL 6 -8.459 7.408 2.308 44 HG11 VAL 6 1HG1 VAL 6 -9.337 5.267 1.622 45 HG12 VAL 6 2HG1 VAL 6 -10.573 6.176 2.487 46 HG13 VAL 6 3HG1 VAL 6 -9.723 4.840 3.288 47 HG21 VAL 6 3HG2 VAL 6 -8.964 6.505 5.140 48 HG22 VAL 6 1HG2 VAL 6 -9.866 7.753 4.278 49 HG23 VAL 6 2HG2 VAL 6 -8.155 7.993 4.642 50 H GLY 7 H GLY 7 -7.133 3.529 2.578 51 HA2 GLY 7 2HA GLY 7 -7.599 3.952 -0.125 52 HA3 GLY 7 1HA GLY 7 -5.988 3.367 0.072 53 H LYS 8 H LYS 8 -7.609 1.959 -1.314 54 HA LYS 8 HA LYS 8 -8.103 -0.359 0.375 55 HB2 LYS 8 2HB LYS 8 -10.176 0.508 -0.560 56 HB3 LYS 8 1HB LYS 8 -9.453 0.515 -2.173 57 HG2 LYS 8 2HG LYS 8 -9.325 -1.872 -2.159 58 HG3 LYS 8 1HG LYS 8 -9.944 -1.936 -0.508 59 HD2 LYS 8 2HD LYS 8 -11.441 -0.769 -2.844 60 HD3 LYS 8 1HD LYS 8 -11.681 -2.424 -2.273 61 HE2 LYS 8 2HE LYS 8 -12.369 -1.524 -0.079 62 HE3 LYS 8 1HE LYS 8 -12.153 0.112 -0.679 63 HZ1 LYS 8 3HZ LYS 8 -14.059 -1.878 -1.774 64 HZ2 LYS 8 1HZ LYS 8 -13.920 -0.283 -2.301 65 HZ3 LYS 8 2HZ LYS 8 -14.481 -0.617 -0.751 66 H VAL 9 H VAL 9 -7.039 -2.125 -0.207 67 HA VAL 9 HA VAL 9 -4.842 -1.929 -1.918 68 HB VAL 9 HB VAL 9 -6.212 -4.477 -1.000 69 HG11 VAL 9 1HG1 VAL 9 -4.793 -4.869 -2.911 70 HG12 VAL 9 2HG1 VAL 9 -4.053 -5.564 -1.465 71 HG13 VAL 9 3HG1 VAL 9 -3.440 -4.045 -2.132 72 HG21 VAL 9 3HG2 VAL 9 -3.857 -2.996 0.170 73 HG22 VAL 9 1HG2 VAL 9 -4.475 -4.548 0.734 74 HG23 VAL 9 2HG2 VAL 9 -5.471 -3.102 0.877 75 H LYS 10 H LYS 10 -4.767 -1.791 -3.898 76 HA LYS 10 HA LYS 10 -7.025 -2.139 -5.601 77 HB2 LYS 10 2HB LYS 10 -5.413 -0.313 -5.732 78 HB3 LYS 10 1HB LYS 10 -4.144 -1.450 -6.060 79 HG2 LYS 10 2HG LYS 10 -5.126 -1.957 -8.211 80 HG3 LYS 10 1HG LYS 10 -6.461 -0.848 -7.857 81 HD2 LYS 10 2HD LYS 10 -4.998 1.013 -7.704 82 HD3 LYS 10 1HD LYS 10 -3.579 -0.023 -7.797 83 HE2 LYS 10 2HE LYS 10 -3.977 1.145 -9.804 84 HE3 LYS 10 1HE LYS 10 -4.113 -0.602 -10.038 85 HZ1 LYS 10 3HZ LYS 10 -6.446 1.233 -9.702 86 HZ2 LYS 10 1HZ LYS 10 -6.512 -0.406 -10.010 87 HZ3 LYS 10 2HZ LYS 10 -5.908 0.605 -11.204 88 H TRP 11 H TRP 11 -3.858 -3.656 -5.195 89 HA TRP 11 HA TRP 11 -4.767 -6.261 -5.522 90 HB2 TRP 11 2HB TRP 11 -3.588 -6.950 -7.573 91 HB3 TRP 11 1HB TRP 11 -4.917 -5.899 -7.950 92 HD1 TRP 11 HD TRP 11 -4.212 -3.438 -8.949 93 HE1 TRP 11 1HE TRP 11 -2.051 -2.637 -10.102 94 HE3 TRP 11 3HE TRP 11 -1.176 -7.219 -7.571 95 HZ2 TRP 11 2HZ TRP 11 0.621 -3.533 -10.386 96 HZ3 TRP 11 3HZ TRP 11 1.200 -7.210 -8.317 97 HH2 TRP 11 HH TRP 11 2.063 -5.394 -9.698 98 H TYR 12 H TYR 12 -3.052 -7.796 -5.396 99 HA TYR 12 HA TYR 12 -0.364 -6.904 -5.047 100 HB2 TYR 12 2HB TYR 12 -1.338 -6.193 -2.865 101 HB3 TYR 12 1HB TYR 12 -1.853 -7.851 -2.581 102 HD1 TYR 12 2HD TYR 12 1.038 -5.599 -2.788 103 HD2 TYR 12 1HD TYR 12 -0.254 -9.543 -1.863 104 HE1 TYR 12 2HE TYR 12 3.214 -6.059 -1.736 105 HE2 TYR 12 1HE TYR 12 1.917 -10.014 -0.814 106 HH TYR 12 HH TYR 12 4.232 -9.187 -0.923 107 H ASN 13 H ASN 13 0.857 -8.535 -5.675 108 HA ASN 13 HA ASN 13 -0.232 -11.261 -5.390 109 HB2 ASN 13 2HB ASN 13 1.751 -10.269 -7.465 110 HB3 ASN 13 1HB ASN 13 1.202 -11.925 -7.298 111 HD21 ASN 13 1HD2 ASN 13 -0.929 -12.441 -7.973 112 HD22 ASN 13 2HD2 ASN 13 -1.802 -11.369 -8.987 113 H SER 14 H SER 14 0.840 -12.474 -3.980 114 HA SER 14 HA SER 14 3.172 -11.582 -2.666 115 HB2 SER 14 2HB SER 14 1.995 -14.371 -2.782 116 HB3 SER 14 1HB SER 14 3.132 -13.777 -1.568 117 HG SER 14 HG SER 14 0.438 -13.269 -1.926 118 H THR 15 H THR 15 2.649 -13.287 -5.588 119 HA THR 15 HA THR 15 5.054 -14.646 -5.946 120 HB THR 15 HB THR 15 3.300 -13.303 -8.027 121 HG1 THR 15 1HG THR 15 1.944 -14.812 -7.529 122 HG21 THR 15 3HG2 THR 15 5.494 -13.977 -8.930 123 HG22 THR 15 1HG2 THR 15 4.203 -14.993 -9.574 124 HG23 THR 15 2HG2 THR 15 5.255 -15.608 -8.304 125 H LYS 16 H LYS 16 4.229 -11.212 -6.344 126 HA LYS 16 HA LYS 16 7.017 -10.733 -7.249 127 HB2 LYS 16 2HB LYS 16 4.562 -9.053 -7.740 128 HB3 LYS 16 1HB LYS 16 6.190 -8.646 -8.245 129 HG2 LYS 16 2HG LYS 16 6.224 -10.574 -9.731 130 HG3 LYS 16 1HG LYS 16 4.597 -11.017 -9.205 131 HD2 LYS 16 2HD LYS 16 3.728 -8.906 -10.053 132 HD3 LYS 16 1HD LYS 16 5.349 -8.415 -10.537 133 HE2 LYS 16 2HE LYS 16 5.456 -10.285 -12.086 134 HE3 LYS 16 1HE LYS 16 3.838 -10.796 -11.607 135 HZ1 LYS 16 3HZ LYS 16 2.973 -8.695 -12.475 136 HZ2 LYS 16 1HZ LYS 16 3.810 -9.514 -13.668 137 HZ3 LYS 16 2HZ LYS 16 4.525 -8.207 -12.891 138 H ASN 17 H ASN 17 4.880 -10.327 -4.666 139 HA ASN 17 HA ASN 17 4.695 -8.990 -2.912 140 HB2 ASN 17 2HB ASN 17 7.653 -9.160 -3.282 141 HB3 ASN 17 1HB ASN 17 6.967 -8.265 -1.920 142 HD21 ASN 17 1HD2 ASN 17 8.426 -10.881 -2.203 143 HD22 ASN 17 2HD2 ASN 17 7.454 -11.982 -1.306 144 H PHE 18 H PHE 18 4.369 -7.717 -5.396 145 HA PHE 18 HA PHE 18 4.565 -4.981 -4.434 146 HB2 PHE 18 2HB PHE 18 4.940 -5.908 -7.294 147 HB3 PHE 18 1HB PHE 18 4.595 -4.247 -6.848 148 HD1 PHE 18 1HD PHE 18 6.244 -3.112 -5.259 149 HD2 PHE 18 2HD PHE 18 7.110 -6.665 -7.416 150 HE1 PHE 18 1HE PHE 18 8.647 -2.676 -5.004 151 HE2 PHE 18 2HE PHE 18 9.502 -6.244 -7.161 152 HZ PHE 18 HZ PHE 18 10.280 -4.246 -5.950 153 H GLY 19 H GLY 19 2.839 -3.684 -5.120 154 HA2 GLY 19 2HA GLY 19 0.689 -4.694 -6.603 155 HA3 GLY 19 1HA GLY 19 0.362 -4.762 -4.870 156 H PHE 20 H PHE 20 -1.269 -3.196 -5.731 157 HA PHE 20 HA PHE 20 -0.167 -0.550 -5.272 158 HB2 PHE 20 2HB PHE 20 -1.929 -1.315 -7.564 159 HB3 PHE 20 1HB PHE 20 -1.926 0.315 -6.883 160 HD1 PHE 20 1HD PHE 20 0.215 -2.250 -8.514 161 HD2 PHE 20 2HD PHE 20 -0.247 1.850 -7.511 162 HE1 PHE 20 1HE PHE 20 2.146 -1.689 -9.930 163 HE2 PHE 20 2HE PHE 20 1.679 2.417 -8.923 164 HZ PHE 20 HZ PHE 20 2.879 0.645 -10.136 165 H ILE 21 H ILE 21 -1.877 1.032 -4.848 166 HA ILE 21 HA ILE 21 -4.228 -0.020 -3.501 167 HB ILE 21 HB ILE 21 -2.179 1.717 -2.024 168 HG12 ILE 21 2HG1 ILE 21 -2.921 -1.180 -1.561 169 HG13 ILE 21 1HG1 ILE 21 -1.409 -0.623 -2.237 170 HG21 ILE 21 1HG2 ILE 21 -4.451 2.228 -1.417 171 HG22 ILE 21 2HG2 ILE 21 -3.612 1.422 -0.092 172 HG23 ILE 21 3HG2 ILE 21 -4.762 0.525 -1.083 173 HD11 ILE 21 3HD1 ILE 21 -2.370 0.016 0.548 174 HD12 ILE 21 1HD1 ILE 21 -0.833 0.487 -0.165 175 HD13 ILE 21 2HD1 ILE 21 -1.172 -1.217 0.123 176 H GLU 22 H GLU 22 -5.890 1.461 -3.708 177 HA GLU 22 HA GLU 22 -5.280 4.278 -4.010 178 HB2 GLU 22 2HB GLU 22 -6.819 4.508 -5.910 179 HB3 GLU 22 1HB GLU 22 -5.539 3.387 -6.349 180 HG2 GLU 22 2HG GLU 22 -7.055 1.502 -5.881 181 HG3 GLU 22 1HG GLU 22 -8.289 2.694 -5.446 182 H GLN 23 H GLN 23 -7.078 5.474 -3.086 183 HA GLN 23 HA GLN 23 -8.753 3.728 -1.511 184 HB2 GLN 23 2HB GLN 23 -9.860 5.617 -0.533 185 HB3 GLN 23 1HB GLN 23 -8.148 5.993 -0.576 186 HG2 GLN 23 2HG GLN 23 -8.565 7.365 -2.584 187 HG3 GLN 23 1HG GLN 23 -10.251 6.972 -2.453 188 HE21 GLN 23 1HE2 GLN 23 -7.644 8.628 -0.876 189 HE22 GLN 23 2HE2 GLN 23 -8.606 9.683 0.054 190 H ASP 24 H ASP 24 -10.658 3.318 -1.608 191 HA ASP 24 HA ASP 24 -11.822 2.592 -4.012 192 HB2 ASP 24 2HB ASP 24 -12.542 1.797 -1.789 193 HB3 ASP 24 1HB ASP 24 -13.345 3.332 -1.531 194 H ASN 25 H ASN 25 -12.047 5.619 -2.359 195 HA ASN 25 HA ASN 25 -14.278 6.494 -4.005 196 HB2 ASN 25 2HB ASN 25 -12.880 7.994 -1.782 197 HB3 ASN 25 1HB ASN 25 -14.314 8.540 -2.644 198 HD21 ASN 25 1HD2 ASN 25 -13.079 6.516 -0.136 199 HD22 ASN 25 2HD2 ASN 25 -14.597 5.941 0.406 200 H GLY 26 H GLY 26 -11.220 6.246 -4.828 201 HA2 GLY 26 2HA GLY 26 -10.668 7.255 -6.965 202 HA3 GLY 26 1HA GLY 26 -11.404 8.737 -6.392 203 H GLY 27 H GLY 27 -8.950 6.549 -5.021 204 HA2 GLY 27 2HA GLY 27 -7.366 8.936 -4.508 205 HA3 GLY 27 1HA GLY 27 -7.071 7.390 -3.732 206 H LYS 28 H LYS 28 -5.059 8.889 -4.947 207 HA LYS 28 HA LYS 28 -4.580 8.047 -7.630 208 HB2 LYS 28 2HB LYS 28 -2.666 9.152 -5.596 209 HB3 LYS 28 1HB LYS 28 -2.362 9.000 -7.319 210 HG2 LYS 28 2HG LYS 28 -4.204 10.531 -7.796 211 HG3 LYS 28 1HG LYS 28 -4.499 10.705 -6.068 212 HD2 LYS 28 2HD LYS 28 -2.250 11.592 -5.777 213 HD3 LYS 28 1HD LYS 28 -1.975 11.404 -7.514 214 HE2 LYS 28 2HE LYS 28 -4.110 13.150 -6.279 215 HE3 LYS 28 1HE LYS 28 -2.574 13.744 -6.891 216 HZ1 LYS 28 3HZ LYS 28 -4.379 14.012 -8.487 217 HZ2 LYS 28 1HZ LYS 28 -4.639 12.348 -8.504 218 HZ3 LYS 28 2HZ LYS 28 -3.189 12.967 -9.087 219 H ASP 29 H ASP 29 -2.909 6.604 -8.339 220 HA ASP 29 HA ASP 29 -2.854 4.289 -6.656 221 HB2 ASP 29 2HB ASP 29 -1.886 3.053 -8.522 222 HB3 ASP 29 1HB ASP 29 -3.268 3.985 -9.064 223 H VAL 30 H VAL 30 -1.469 3.812 -5.300 224 HA VAL 30 HA VAL 30 1.303 4.667 -5.622 225 HB VAL 30 HB VAL 30 0.408 5.918 -3.750 226 HG11 VAL 30 1HG1 VAL 30 -1.603 4.541 -3.345 227 HG12 VAL 30 2HG1 VAL 30 -0.685 4.947 -1.890 228 HG13 VAL 30 3HG1 VAL 30 -0.556 3.321 -2.576 229 HG21 VAL 30 3HG2 VAL 30 1.921 3.527 -2.747 230 HG22 VAL 30 1HG2 VAL 30 1.616 4.989 -1.820 231 HG23 VAL 30 2HG2 VAL 30 2.589 5.064 -3.291 232 H PHE 31 H PHE 31 2.874 3.046 -5.280 233 HA PHE 31 HA PHE 31 1.672 0.432 -5.339 234 HB2 PHE 31 2HB PHE 31 3.873 -0.449 -5.995 235 HB3 PHE 31 1HB PHE 31 3.294 0.794 -7.098 236 HD1 PHE 31 1HD PHE 31 5.705 -0.014 -4.432 237 HD2 PHE 31 2HD PHE 31 4.607 2.741 -7.475 238 HE1 PHE 31 1HE PHE 31 7.897 1.066 -4.242 239 HE2 PHE 31 2HE PHE 31 6.808 3.834 -7.277 240 HZ PHE 31 HZ PHE 31 8.452 2.985 -5.654 241 H VAL 32 H VAL 32 2.108 -1.189 -4.023 242 HA VAL 32 HA VAL 32 3.281 -0.388 -1.471 243 HB VAL 32 HB VAL 32 0.854 -0.901 -1.385 244 HG11 VAL 32 1HG1 VAL 32 1.635 -3.663 -2.237 245 HG12 VAL 32 2HG1 VAL 32 0.655 -2.511 -3.149 246 HG13 VAL 32 3HG1 VAL 32 0.043 -3.194 -1.640 247 HG21 VAL 32 3HG2 VAL 32 0.916 -2.507 0.452 248 HG22 VAL 32 1HG2 VAL 32 2.137 -1.253 0.637 249 HG23 VAL 32 2HG2 VAL 32 2.598 -2.870 0.088 250 H HIS 33 H HIS 33 4.712 -1.795 -0.519 251 HA HIS 33 HA HIS 33 5.580 -4.138 -2.076 252 HB2 HIS 33 2HB HIS 33 7.061 -2.198 -2.626 253 HB3 HIS 33 1HB HIS 33 7.412 -2.023 -0.909 254 HD1 HIS 33 1HD HIS 33 7.348 -5.232 -2.961 255 HD2 HIS 33 2HD HIS 33 9.934 -2.885 -0.740 256 HE1 HIS 33 1HE HIS 33 9.393 -6.551 -2.755 257 HE2 HIS 33 2HE HIS 33 10.833 -5.241 -1.164 258 H LYS 34 H LYS 34 6.861 -5.639 -0.758 259 HA LYS 34 HA LYS 34 5.328 -6.080 1.570 260 HB2 LYS 34 2HB LYS 34 6.023 -7.939 0.154 261 HB3 LYS 34 1HB LYS 34 7.700 -7.667 0.588 262 HG2 LYS 34 2HG LYS 34 7.241 -8.263 2.893 263 HG3 LYS 34 1HG LYS 34 5.518 -8.389 2.528 264 HD2 LYS 34 2HD LYS 34 5.876 -10.106 1.065 265 HD3 LYS 34 1HD LYS 34 7.651 -10.051 1.261 266 HE2 LYS 34 2HE LYS 34 7.264 -10.612 3.678 267 HE3 LYS 34 1HE LYS 34 5.543 -10.755 3.316 268 HZ1 LYS 34 3HZ LYS 34 6.586 -12.914 3.330 269 HZ2 LYS 34 1HZ LYS 34 7.709 -12.427 2.172 270 HZ3 LYS 34 2HZ LYS 34 6.093 -12.557 1.758 271 H SER 35 H SER 35 8.298 -4.489 1.111 272 HA SER 35 HA SER 35 9.407 -4.623 3.666 273 HB2 SER 35 2HB SER 35 9.163 -2.159 1.931 274 HB3 SER 35 1HB SER 35 10.383 -2.459 3.177 275 HG SER 35 HG SER 35 11.176 -4.147 1.952 276 H ALA 36 H ALA 36 6.460 -3.078 2.621 277 HA ALA 36 HA ALA 36 6.099 -1.547 5.007 278 HB1 ALA 36 1HB ALA 36 4.107 -2.439 2.972 279 HB2 ALA 36 2HB ALA 36 5.070 -0.952 2.891 280 HB3 ALA 36 3HB ALA 36 3.901 -1.201 4.220 281 H VAL 37 H VAL 37 5.065 -4.685 3.773 282 HA VAL 37 HA VAL 37 3.425 -5.349 5.993 283 HB VAL 37 HB VAL 37 4.907 -7.269 4.095 284 HG11 VAL 37 1HG1 VAL 37 2.629 -7.812 6.006 285 HG12 VAL 37 2HG1 VAL 37 4.272 -8.277 6.276 286 HG13 VAL 37 3HG1 VAL 37 3.377 -8.968 4.908 287 HG21 VAL 37 3HG2 VAL 37 3.306 -5.803 2.933 288 HG22 VAL 37 1HG2 VAL 37 2.046 -6.285 4.069 289 HG23 VAL 37 2HG2 VAL 37 2.748 -7.475 2.973 290 H ASP 38 H ASP 38 6.759 -5.768 5.163 291 HA ASP 38 HA ASP 38 7.619 -7.262 7.358 292 HB2 ASP 38 2HB ASP 38 8.973 -6.926 5.350 293 HB3 ASP 38 1HB ASP 38 9.109 -5.214 5.722 294 H ALA 39 H ALA 39 7.046 -3.842 6.939 295 HA ALA 39 HA ALA 39 8.381 -2.923 9.214 296 HB1 ALA 39 1HB ALA 39 7.625 -1.462 7.398 297 HB2 ALA 39 2HB ALA 39 7.088 -0.884 8.977 298 HB3 ALA 39 3HB ALA 39 5.954 -1.710 7.907 299 H ALA 40 H ALA 40 5.138 -4.269 8.899 300 HA ALA 40 HA ALA 40 4.822 -3.936 11.839 301 HB1 ALA 40 1HB ALA 40 2.444 -3.496 11.550 302 HB2 ALA 40 2HB ALA 40 2.630 -3.654 9.802 303 HB3 ALA 40 3HB ALA 40 3.417 -2.325 10.652 304 H GLY 41 H GLY 41 4.913 -6.158 9.349 305 HA2 GLY 41 2HA GLY 41 4.461 -8.325 9.149 306 HA3 GLY 41 1HA GLY 41 4.167 -8.440 10.864 307 H LEU 42 H LEU 42 2.717 -6.967 8.018 308 HA LEU 42 HA LEU 42 0.054 -7.064 8.992 309 HB2 LEU 42 2HB LEU 42 1.229 -5.558 7.187 310 HB3 LEU 42 1HB LEU 42 0.898 -6.884 6.108 311 HG LEU 42 HG LEU 42 -0.650 -5.080 5.864 312 HD11 LEU 42 1HD1 LEU 42 -2.007 -7.511 7.004 313 HD12 LEU 42 2HD1 LEU 42 -1.499 -7.283 5.334 314 HD13 LEU 42 3HD1 LEU 42 -2.786 -6.285 6.006 315 HD21 LEU 42 3HD2 LEU 42 -2.287 -4.499 7.598 316 HD22 LEU 42 1HD2 LEU 42 -0.620 -4.174 8.076 317 HD23 LEU 42 2HD2 LEU 42 -1.457 -5.585 8.716 318 H HIS 43 H HIS 43 -1.551 -8.584 8.427 319 HA HIS 43 HA HIS 43 -0.868 -11.262 8.311 320 HB2 HIS 43 2HB HIS 43 -3.077 -10.364 9.028 321 HB3 HIS 43 1HB HIS 43 -3.447 -10.017 7.347 322 HD1 HIS 43 1HD HIS 43 -3.857 -12.189 5.761 323 HD2 HIS 43 2HD HIS 43 -3.527 -12.941 9.846 324 HE1 HIS 43 1HE HIS 43 -4.745 -14.475 6.095 325 HE2 HIS 43 2HE HIS 43 -4.355 -14.994 8.525 326 H SER 44 H SER 44 -2.356 -9.403 5.610 327 HA SER 44 HA SER 44 -0.626 -10.331 3.625 328 HB2 SER 44 2HB SER 44 -2.310 -11.807 2.446 329 HB3 SER 44 1HB SER 44 -1.626 -12.492 3.925 330 HG SER 44 HG SER 44 -4.157 -11.213 3.654 331 H LEU 45 H LEU 45 -1.167 -9.352 1.611 332 HA LEU 45 HA LEU 45 -3.352 -7.411 1.828 333 HB2 LEU 45 2HB LEU 45 -1.022 -7.389 -0.060 334 HB3 LEU 45 1HB LEU 45 -2.229 -6.159 0.121 335 HG LEU 45 HG LEU 45 -0.237 -6.875 2.264 336 HD11 LEU 45 1HD1 LEU 45 -0.369 -4.522 0.393 337 HD12 LEU 45 2HD1 LEU 45 0.815 -5.826 0.338 338 HD13 LEU 45 3HD1 LEU 45 0.776 -4.728 1.718 339 HD21 LEU 45 3HD2 LEU 45 -2.271 -4.645 2.082 340 HD22 LEU 45 1HD2 LEU 45 -1.066 -4.842 3.357 341 HD23 LEU 45 2HD2 LEU 45 -2.347 -6.035 3.170 342 H GLU 46 H GLU 46 -4.798 -7.257 0.200 343 HA GLU 46 HA GLU 46 -4.673 -8.717 -2.202 344 HB2 GLU 46 2HB GLU 46 -6.576 -10.211 -1.726 345 HB3 GLU 46 1HB GLU 46 -5.171 -10.609 -0.745 346 HG2 GLU 46 2HG GLU 46 -6.207 -9.383 1.134 347 HG3 GLU 46 1HG GLU 46 -7.637 -9.122 0.134 348 H GLU 47 H GLU 47 -6.722 -8.349 -3.411 349 HA GLU 47 HA GLU 47 -7.401 -5.639 -3.104 350 HB2 GLU 47 2HB GLU 47 -8.957 -5.905 -4.963 351 HB3 GLU 47 1HB GLU 47 -7.391 -6.605 -5.319 352 HG2 GLU 47 2HG GLU 47 -9.783 -8.189 -4.432 353 HG3 GLU 47 1HG GLU 47 -9.362 -7.876 -6.113 354 H GLY 48 H GLY 48 -9.321 -4.691 -2.781 355 HA2 GLY 48 2HA GLY 48 -11.533 -4.497 -1.901 356 HA3 GLY 48 1HA GLY 48 -11.449 -6.191 -1.447 357 H GLN 49 H GLN 49 -8.669 -5.378 -0.243 358 HA GLN 49 HA GLN 49 -9.690 -5.001 2.386 359 HB2 GLN 49 2HB GLN 49 -6.916 -5.231 1.271 360 HB3 GLN 49 1HB GLN 49 -7.259 -4.982 2.973 361 HG2 GLN 49 2HG GLN 49 -8.557 -7.122 1.523 362 HG3 GLN 49 1HG GLN 49 -6.860 -7.409 2.001 363 HE21 GLN 49 1HE2 GLN 49 -9.410 -5.681 3.861 364 HE22 GLN 49 2HE2 GLN 49 -9.513 -6.850 5.091 365 H ASP 50 H ASP 50 -10.195 -3.125 3.097 366 HA ASP 50 HA ASP 50 -9.053 -0.705 2.066 367 HB2 ASP 50 2HB ASP 50 -10.754 -1.173 4.530 368 HB3 ASP 50 1HB ASP 50 -10.219 0.406 3.969 369 H VAL 51 H VAL 51 -7.351 0.337 2.823 370 HA VAL 51 HA VAL 51 -6.102 -0.729 5.194 371 HB VAL 51 HB VAL 51 -5.289 -1.987 3.286 372 HG11 VAL 51 1HG1 VAL 51 -5.440 -0.368 1.480 373 HG12 VAL 51 2HG1 VAL 51 -3.811 -0.972 1.576 374 HG13 VAL 51 3HG1 VAL 51 -4.195 0.619 2.237 375 HG21 VAL 51 3HG2 VAL 51 -3.198 -0.229 4.551 376 HG22 VAL 51 1HG2 VAL 51 -2.879 -1.791 3.768 377 HG23 VAL 51 2HG2 VAL 51 -3.914 -1.696 5.210 378 H ILE 52 H ILE 52 -4.711 0.574 6.107 379 HA ILE 52 HA ILE 52 -4.865 3.442 5.438 380 HB ILE 52 HB ILE 52 -4.251 2.116 8.105 381 HG12 ILE 52 2HG1 ILE 52 -6.849 3.415 7.247 382 HG13 ILE 52 1HG1 ILE 52 -6.586 1.678 7.300 383 HG21 ILE 52 1HG2 ILE 52 -4.645 4.363 9.031 384 HG22 ILE 52 2HG2 ILE 52 -4.917 4.981 7.404 385 HG23 ILE 52 3HG2 ILE 52 -3.325 4.372 7.860 386 HD11 ILE 52 3HD1 ILE 52 -6.185 1.824 9.695 387 HD12 ILE 52 1HD1 ILE 52 -7.786 2.417 9.254 388 HD13 ILE 52 2HD1 ILE 52 -6.494 3.564 9.648 389 H PHE 53 H PHE 53 -2.905 4.315 4.881 390 HA PHE 53 HA PHE 53 -0.505 2.953 5.817 391 HB2 PHE 53 2HB PHE 53 0.508 3.077 3.587 392 HB3 PHE 53 1HB PHE 53 -0.758 1.888 3.635 393 HD1 PHE 53 1HD PHE 53 -3.012 2.559 2.614 394 HD2 PHE 53 2HD PHE 53 0.542 4.838 2.096 395 HE1 PHE 53 1HE PHE 53 -3.981 3.624 0.650 396 HE2 PHE 53 2HE PHE 53 -0.430 5.909 0.128 397 HZ PHE 53 HZ PHE 53 -2.680 5.305 -0.609 398 H ASP 54 H ASP 54 1.437 4.179 4.968 399 HA ASP 54 HA ASP 54 0.909 7.036 5.075 400 HB2 ASP 54 2HB ASP 54 3.242 5.467 6.232 401 HB3 ASP 54 1HB ASP 54 3.107 7.222 6.229 402 H LEU 55 H LEU 55 2.084 8.193 3.615 403 HA LEU 55 HA LEU 55 3.431 6.554 1.603 404 HB2 LEU 55 2HB LEU 55 1.256 7.112 0.780 405 HB3 LEU 55 1HB LEU 55 1.527 8.777 1.257 406 HG LEU 55 HG LEU 55 2.970 9.185 -0.593 407 HD11 LEU 55 1HD1 LEU 55 4.229 7.128 -0.523 408 HD12 LEU 55 2HD1 LEU 55 3.618 7.409 -2.149 409 HD13 LEU 55 3HD1 LEU 55 2.838 6.226 -1.091 410 HD21 LEU 55 3HD2 LEU 55 1.546 8.654 -2.490 411 HD22 LEU 55 1HD2 LEU 55 0.580 9.171 -1.111 412 HD23 LEU 55 2HD2 LEU 55 0.677 7.457 -1.535 413 H GLU 56 H GLU 56 5.266 7.047 1.216 414 HA GLU 56 HA GLU 56 6.341 9.695 1.875 415 HB2 GLU 56 2HB GLU 56 7.806 7.072 1.670 416 HB3 GLU 56 1HB GLU 56 8.531 8.625 2.055 417 HG2 GLU 56 2HG GLU 56 6.493 7.159 3.688 418 HG3 GLU 56 1HG GLU 56 8.243 7.284 3.991 419 H GLU 57 H GLU 57 8.226 10.200 0.559 420 HA GLU 57 HA GLU 57 7.503 9.838 -2.283 421 HB2 GLU 57 2HB GLU 57 7.317 12.121 -1.152 422 HB3 GLU 57 1HB GLU 57 9.054 12.079 -0.968 423 HG2 GLU 57 2HG GLU 57 7.562 12.104 -3.586 424 HG3 GLU 57 1HG GLU 57 8.314 13.492 -2.816 425 H LYS 58 H LYS 58 9.005 8.793 -3.515 426 HA LYS 58 HA LYS 58 11.712 8.551 -2.399 427 HB2 LYS 58 2HB LYS 58 10.478 6.502 -1.951 428 HB3 LYS 58 1HB LYS 58 10.076 6.328 -3.638 429 HG2 LYS 58 2HG LYS 58 12.452 6.024 -4.143 430 HG3 LYS 58 1HG LYS 58 12.830 6.157 -2.423 431 HD2 LYS 58 2HD LYS 58 11.416 4.212 -1.962 432 HD3 LYS 58 1HD LYS 58 11.025 4.091 -3.678 433 HE2 LYS 58 2HE LYS 58 13.388 3.684 -4.184 434 HE3 LYS 58 1HE LYS 58 13.781 3.804 -2.471 435 HZ1 LYS 58 3HZ LYS 58 11.981 1.795 -3.690 436 HZ2 LYS 58 1HZ LYS 58 12.409 1.858 -2.055 437 HZ3 LYS 58 2HZ LYS 58 13.569 1.508 -3.222 438 H GLN 59 H GLN 59 12.054 10.367 -3.924 439 HA GLN 59 HA GLN 59 13.108 11.211 -5.780 440 HB2 GLN 59 2HB GLN 59 14.664 9.334 -5.240 441 HB3 GLN 59 1HB GLN 59 13.755 8.290 -6.318 442 HG2 GLN 59 2HG GLN 59 14.401 9.751 -8.198 443 HG3 GLN 59 1HG GLN 59 15.339 10.734 -7.080 444 HE21 GLN 59 1HE2 GLN 59 15.109 7.696 -8.703 445 HE22 GLN 59 2HE2 GLN 59 16.728 7.178 -8.414 446 H GLY 60 H GLY 60 10.288 10.603 -6.009 447 HA2 GLY 60 2HA GLY 60 9.017 11.176 -8.008 448 HA3 GLY 60 1HA GLY 60 10.135 10.179 -8.929 449 H LYS 61 H LYS 61 9.830 8.400 -6.360 450 HA LYS 61 HA LYS 61 7.673 6.865 -7.521 451 HB2 LYS 61 2HB LYS 61 9.666 6.138 -5.396 452 HB3 LYS 61 1HB LYS 61 8.451 5.040 -6.045 453 HG2 LYS 61 2HG LYS 61 10.706 6.329 -7.542 454 HG3 LYS 61 1HG LYS 61 10.643 4.657 -6.982 455 HD2 LYS 61 2HD LYS 61 8.756 4.217 -8.432 456 HD3 LYS 61 1HD LYS 61 8.729 5.909 -8.945 457 HE2 LYS 61 2HE LYS 61 10.907 5.719 -9.799 458 HE3 LYS 61 1HE LYS 61 11.025 4.032 -9.274 459 HZ1 LYS 61 3HZ LYS 61 9.117 5.114 -11.289 460 HZ2 LYS 61 1HZ LYS 61 9.172 3.522 -10.756 461 HZ3 LYS 61 2HZ LYS 61 10.469 4.161 -11.637 462 H ALA 62 H ALA 62 6.194 5.841 -5.996 463 HA ALA 62 HA ALA 62 5.672 7.294 -3.522 464 HB1 ALA 62 1HB ALA 62 4.228 8.315 -5.221 465 HB2 ALA 62 2HB ALA 62 3.242 7.348 -4.121 466 HB3 ALA 62 3HB ALA 62 3.654 6.722 -5.711 467 H TYR 63 H TYR 63 5.766 5.725 -2.036 468 HA TYR 63 HA TYR 63 4.659 3.126 -2.762 469 HB2 TYR 63 2HB TYR 63 6.402 2.018 -1.467 470 HB3 TYR 63 1HB TYR 63 7.039 2.916 -2.829 471 HD1 TYR 63 2HD TYR 63 7.690 5.507 -2.026 472 HD2 TYR 63 1HD TYR 63 7.638 2.053 0.418 473 HE1 TYR 63 2HE TYR 63 9.244 6.607 -0.457 474 HE2 TYR 63 1HE TYR 63 9.200 3.140 1.997 475 HH TYR 63 HH TYR 63 10.909 4.937 1.914 476 H ALA 64 H ALA 64 3.502 2.186 -1.393 477 HA ALA 64 HA ALA 64 2.506 3.682 0.928 478 HB1 ALA 64 1HB ALA 64 0.690 2.035 0.958 479 HB2 ALA 64 2HB ALA 64 1.473 1.132 -0.335 480 HB3 ALA 64 3HB ALA 64 0.846 2.765 -0.623 481 H VAL 65 H VAL 65 3.077 3.306 2.869 482 HA VAL 65 HA VAL 65 4.128 0.689 3.636 483 HB VAL 65 HB VAL 65 5.959 1.756 4.982 484 HG11 VAL 65 1HG1 VAL 65 6.473 0.668 2.882 485 HG12 VAL 65 2HG1 VAL 65 7.481 2.100 3.094 486 HG13 VAL 65 3HG1 VAL 65 6.093 2.150 2.007 487 HG21 VAL 65 3HG2 VAL 65 5.273 4.189 3.332 488 HG22 VAL 65 1HG2 VAL 65 6.695 4.020 4.361 489 HG23 VAL 65 2HG2 VAL 65 5.080 4.028 5.075 490 H ASN 66 H ASN 66 4.646 0.729 6.086 491 HA ASN 66 HA ASN 66 3.847 0.730 8.241 492 HB2 ASN 66 2HB ASN 66 4.338 3.285 7.726 493 HB3 ASN 66 1HB ASN 66 2.607 3.407 7.645 494 HD21 ASN 66 1HD2 ASN 66 1.400 3.264 9.483 495 HD22 ASN 66 2HD2 ASN 66 2.037 3.304 11.096 496 H LEU 67 H LEU 67 2.344 -0.547 6.359 497 HA LEU 67 HA LEU 67 -0.301 0.284 6.047 498 HB2 LEU 67 2HB LEU 67 0.719 -2.515 5.950 499 HB3 LEU 67 1HB LEU 67 -0.791 -1.929 5.304 500 HG LEU 67 HG LEU 67 1.985 -1.424 4.244 501 HD11 LEU 67 1HD1 LEU 67 0.928 -3.506 3.781 502 HD12 LEU 67 2HD1 LEU 67 1.090 -2.465 2.336 503 HD13 LEU 67 3HD1 LEU 67 -0.465 -2.581 3.164 504 HD21 LEU 67 3HD2 LEU 67 -0.610 -0.212 3.327 505 HD22 LEU 67 1HD2 LEU 67 0.953 -0.097 2.513 506 HD23 LEU 67 2HD2 LEU 67 0.738 0.654 4.090 507 H ARG 68 H ARG 68 -2.065 -0.154 7.007 508 HA ARG 68 HA ARG 68 -2.214 -2.019 9.233 509 HB2 ARG 68 2HB ARG 68 -1.820 0.167 10.279 510 HB3 ARG 68 1HB ARG 68 -3.139 0.887 9.340 511 HG2 ARG 68 2HG ARG 68 -3.783 0.496 11.608 512 HG3 ARG 68 1HG ARG 68 -4.659 -0.635 10.568 513 HD2 ARG 68 2HD ARG 68 -3.804 -1.732 12.549 514 HD3 ARG 68 1HD ARG 68 -3.039 -2.371 11.083 515 HE ARG 68 HE ARG 68 -1.618 -0.242 12.388 516 HH11 ARG 68 1HH1 ARG 68 -2.051 -3.753 12.284 517 HH12 ARG 68 2HH1 ARG 68 -0.503 -4.110 12.892 518 HH21 ARG 68 1HH2 ARG 68 0.517 -0.723 13.237 519 HH22 ARG 68 2HH2 ARG 68 0.981 -2.340 13.463 520 H ILE 69 H ILE 69 -4.073 -3.197 8.927 521 HA ILE 69 HA ILE 69 -5.738 -2.369 6.795 522 HB ILE 69 HB ILE 69 -7.140 -4.431 7.386 523 HG12 ILE 69 2HG1 ILE 69 -5.876 -6.244 8.628 524 HG13 ILE 69 1HG1 ILE 69 -4.743 -5.018 9.162 525 HG21 ILE 69 1HG2 ILE 69 -5.570 -5.962 6.320 526 HG22 ILE 69 2HG2 ILE 69 -4.292 -4.763 6.539 527 HG23 ILE 69 3HG2 ILE 69 -5.681 -4.395 5.512 528 HD11 ILE 69 3HD1 ILE 69 -7.670 -5.154 9.810 529 HD12 ILE 69 1HD1 ILE 69 -6.556 -3.902 10.362 530 HD13 ILE 69 2HD1 ILE 69 -6.341 -5.578 10.891 531 H LYS 70 H LYS 70 -7.771 -1.677 6.771 532 HA LYS 70 HA LYS 70 -8.598 0.023 8.793 533 HB2 LYS 70 2HB LYS 70 -9.332 0.124 6.369 534 HB3 LYS 70 1HB LYS 70 -10.297 -1.284 6.699 535 HG2 LYS 70 2HG LYS 70 -11.610 -0.149 8.319 536 HG3 LYS 70 1HG LYS 70 -10.639 1.314 8.107 537 HD2 LYS 70 2HD LYS 70 -11.357 1.502 5.815 538 HD3 LYS 70 1HD LYS 70 -12.240 -0.018 5.927 539 HE2 LYS 70 2HE LYS 70 -13.700 0.959 7.612 540 HE3 LYS 70 1HE LYS 70 -12.824 2.485 7.501 541 HZ1 LYS 70 3HZ LYS 70 -14.830 2.564 6.170 542 HZ2 LYS 70 1HZ LYS 70 -14.340 1.194 5.295 543 HZ3 LYS 70 2HZ LYS 70 -13.468 2.637 5.194 Start of MODEL 16 1 H1 MET 1 1HT MET 1 7.029 12.735 5.604 2 H2 MET 1 2HT MET 1 6.299 13.167 4.159 3 H3 MET 1 3HT MET 1 7.722 12.240 4.131 4 HA MET 1 HA MET 1 5.813 10.894 3.651 5 HB2 MET 1 2HB MET 1 7.682 9.873 4.900 6 HB3 MET 1 1HB MET 1 6.943 10.368 6.414 7 HG2 MET 1 2HG MET 1 4.999 8.937 5.924 8 HG3 MET 1 1HG MET 1 5.776 8.410 4.436 9 HE1 MET 1 2HE MET 1 8.902 6.455 5.867 10 HE2 MET 1 3HE MET 1 8.855 8.165 5.433 11 HE3 MET 1 1HE MET 1 8.062 6.968 4.407 12 H ALA 2 H ALA 2 3.718 11.099 3.683 13 HA ALA 2 HA ALA 2 2.407 12.381 5.891 14 HB1 ALA 2 1HB ALA 2 0.377 12.112 4.503 15 HB2 ALA 2 2HB ALA 2 1.320 11.199 3.325 16 HB3 ALA 2 3HB ALA 2 1.683 12.899 3.615 17 H THR 3 H THR 3 1.381 11.318 7.472 18 HA THR 3 HA THR 3 1.473 8.419 7.335 19 HB THR 3 HB THR 3 1.132 8.598 9.852 20 HG1 THR 3 1HG THR 3 2.176 11.180 9.628 21 HG21 THR 3 3HG2 THR 3 3.647 9.740 8.619 22 HG22 THR 3 1HG2 THR 3 3.296 8.038 8.888 23 HG23 THR 3 2HG2 THR 3 3.526 9.118 10.268 24 H ASN 4 H ASN 4 -0.219 7.201 7.983 25 HA ASN 4 HA ASN 4 -2.379 6.511 8.108 26 HB2 ASN 4 2HB ASN 4 -2.889 9.245 9.321 27 HB3 ASN 4 1HB ASN 4 -4.053 7.931 9.306 28 HD21 ASN 4 1HD2 ASN 4 -1.133 9.141 10.659 29 HD22 ASN 4 2HD2 ASN 4 -0.997 8.026 11.965 30 H ILE 5 H ILE 5 -2.273 6.501 5.836 31 HA ILE 5 HA ILE 5 -3.931 8.505 4.506 32 HB ILE 5 HB ILE 5 -1.995 6.460 3.422 33 HG12 ILE 5 2HG1 ILE 5 -1.816 9.423 3.884 34 HG13 ILE 5 1HG1 ILE 5 -0.872 8.116 4.577 35 HG21 ILE 5 1HG2 ILE 5 -3.814 6.876 1.846 36 HG22 ILE 5 2HG2 ILE 5 -2.275 7.500 1.251 37 HG23 ILE 5 3HG2 ILE 5 -3.484 8.617 1.905 38 HD11 ILE 5 3HD1 ILE 5 0.141 7.639 2.491 39 HD12 ILE 5 1HD1 ILE 5 0.376 9.345 2.895 40 HD13 ILE 5 2HD1 ILE 5 -0.840 8.881 1.699 41 H VAL 6 H VAL 6 -5.555 7.826 3.150 42 HA VAL 6 HA VAL 6 -6.720 5.266 3.863 43 HB VAL 6 HB VAL 6 -7.898 7.599 2.354 44 HG11 VAL 6 1HG1 VAL 6 -8.830 5.498 1.589 45 HG12 VAL 6 2HG1 VAL 6 -10.045 6.423 2.469 46 HG13 VAL 6 3HG1 VAL 6 -9.247 5.039 3.238 47 HG21 VAL 6 3HG2 VAL 6 -8.428 6.597 5.152 48 HG22 VAL 6 1HG2 VAL 6 -9.307 7.903 4.353 49 HG23 VAL 6 2HG2 VAL 6 -7.592 8.089 4.716 50 H GLY 7 H GLY 7 -6.706 3.670 2.490 51 HA2 GLY 7 2HA GLY 7 -7.190 4.159 -0.207 52 HA3 GLY 7 1HA GLY 7 -5.610 3.487 -0.034 53 H LYS 8 H LYS 8 -7.213 2.144 -1.410 54 HA LYS 8 HA LYS 8 -7.844 -0.168 0.231 55 HB2 LYS 8 2HB LYS 8 -9.913 0.817 -0.557 56 HB3 LYS 8 1HB LYS 8 -9.296 0.909 -2.195 57 HG2 LYS 8 2HG LYS 8 -9.299 -1.448 -2.400 58 HG3 LYS 8 1HG LYS 8 -9.748 -1.652 -0.704 59 HD2 LYS 8 2HD LYS 8 -11.421 -0.213 -2.751 60 HD3 LYS 8 1HD LYS 8 -11.673 -1.908 -2.320 61 HE2 LYS 8 2HE LYS 8 -12.077 -1.210 0.018 62 HE3 LYS 8 1HE LYS 8 -11.877 0.471 -0.455 63 HZ1 LYS 8 3HZ LYS 8 -13.981 -1.367 -1.447 64 HZ2 LYS 8 1HZ LYS 8 -13.793 0.246 -1.911 65 HZ3 LYS 8 2HZ LYS 8 -14.192 -0.145 -0.323 66 H VAL 9 H VAL 9 -6.931 -1.979 -0.411 67 HA VAL 9 HA VAL 9 -4.717 -1.920 -2.160 68 HB VAL 9 HB VAL 9 -6.171 -4.393 -1.145 69 HG11 VAL 9 1HG1 VAL 9 -4.638 -4.943 -2.937 70 HG12 VAL 9 2HG1 VAL 9 -3.989 -5.532 -1.406 71 HG13 VAL 9 3HG1 VAL 9 -3.338 -4.069 -2.133 72 HG21 VAL 9 3HG2 VAL 9 -3.873 -2.900 0.111 73 HG22 VAL 9 1HG2 VAL 9 -4.535 -4.429 0.681 74 HG23 VAL 9 2HG2 VAL 9 -5.524 -2.970 0.726 75 H LYS 10 H LYS 10 -4.824 -1.735 -4.243 76 HA LYS 10 HA LYS 10 -7.023 -2.358 -5.910 77 HB2 LYS 10 2HB LYS 10 -4.126 -1.924 -6.391 78 HB3 LYS 10 1HB LYS 10 -5.140 -2.466 -7.714 79 HG2 LYS 10 2HG LYS 10 -6.394 -0.301 -7.399 80 HG3 LYS 10 1HG LYS 10 -5.173 0.133 -6.187 81 HD2 LYS 10 2HD LYS 10 -3.402 -0.124 -7.819 82 HD3 LYS 10 1HD LYS 10 -4.544 -0.673 -9.023 83 HE2 LYS 10 2HE LYS 10 -4.535 2.074 -7.783 84 HE3 LYS 10 1HE LYS 10 -3.780 1.665 -9.310 85 HZ1 LYS 10 3HZ LYS 10 -5.973 2.616 -9.623 86 HZ2 LYS 10 1HZ LYS 10 -6.691 1.389 -8.732 87 HZ3 LYS 10 2HZ LYS 10 -5.936 1.043 -10.193 88 H TRP 11 H TRP 11 -3.979 -4.002 -5.238 89 HA TRP 11 HA TRP 11 -4.942 -6.606 -5.248 90 HB2 TRP 11 2HB TRP 11 -3.758 -7.431 -7.294 91 HB3 TRP 11 1HB TRP 11 -5.169 -6.481 -7.693 92 HD1 TRP 11 HD TRP 11 -4.680 -4.067 -8.859 93 HE1 TRP 11 1HE TRP 11 -2.615 -3.163 -10.093 94 HE3 TRP 11 3HE TRP 11 -1.334 -7.520 -7.348 95 HZ2 TRP 11 2HZ TRP 11 0.109 -3.857 -10.388 96 HZ3 TRP 11 3HZ TRP 11 1.024 -7.358 -8.140 97 HH2 TRP 11 HH TRP 11 1.712 -5.560 -9.630 98 H TYR 12 H TYR 12 -3.079 -8.134 -5.188 99 HA TYR 12 HA TYR 12 -0.504 -6.911 -4.655 100 HB2 TYR 12 2HB TYR 12 -1.544 -6.917 -2.431 101 HB3 TYR 12 1HB TYR 12 -1.988 -8.608 -2.616 102 HD1 TYR 12 2HD TYR 12 0.875 -6.293 -2.149 103 HD2 TYR 12 1HD TYR 12 -0.424 -10.348 -2.126 104 HE1 TYR 12 2HE TYR 12 3.009 -6.975 -1.120 105 HE2 TYR 12 1HE TYR 12 1.691 -11.031 -1.100 106 HH TYR 12 HH TYR 12 3.757 -8.973 0.351 107 H ASN 13 H ASN 13 1.167 -8.241 -5.185 108 HA ASN 13 HA ASN 13 0.483 -10.958 -6.091 109 HB2 ASN 13 2HB ASN 13 1.375 -9.401 -7.879 110 HB3 ASN 13 1HB ASN 13 2.819 -9.214 -6.910 111 HD21 ASN 13 1HD2 ASN 13 1.014 -11.429 -8.912 112 HD22 ASN 13 2HD2 ASN 13 2.280 -12.577 -9.104 113 H SER 14 H SER 14 1.303 -12.546 -4.884 114 HA SER 14 HA SER 14 2.922 -11.905 -2.607 115 HB2 SER 14 2HB SER 14 1.887 -14.555 -3.618 116 HB3 SER 14 1HB SER 14 2.622 -14.291 -2.040 117 HG SER 14 HG SER 14 0.373 -12.871 -2.982 118 H THR 15 H THR 15 3.501 -13.289 -5.751 119 HA THR 15 HA THR 15 5.942 -14.561 -5.137 120 HB THR 15 HB THR 15 4.968 -13.514 -7.810 121 HG1 THR 15 1HG THR 15 4.248 -15.681 -6.218 122 HG21 THR 15 3HG2 THR 15 7.349 -14.157 -7.794 123 HG22 THR 15 1HG2 THR 15 6.391 -15.294 -8.742 124 HG23 THR 15 2HG2 THR 15 6.922 -15.730 -7.120 125 H LYS 16 H LYS 16 5.192 -11.393 -6.574 126 HA LYS 16 HA LYS 16 8.031 -10.696 -6.533 127 HB2 LYS 16 2HB LYS 16 5.667 -9.225 -7.698 128 HB3 LYS 16 1HB LYS 16 7.336 -8.700 -7.815 129 HG2 LYS 16 2HG LYS 16 7.900 -10.675 -9.052 130 HG3 LYS 16 1HG LYS 16 6.220 -11.218 -8.958 131 HD2 LYS 16 2HD LYS 16 6.741 -10.129 -11.069 132 HD3 LYS 16 1HD LYS 16 5.487 -9.243 -10.190 133 HE2 LYS 16 2HE LYS 16 7.106 -7.730 -11.225 134 HE3 LYS 16 1HE LYS 16 7.224 -7.609 -9.479 135 HZ1 LYS 16 3HZ LYS 16 9.392 -7.694 -10.558 136 HZ2 LYS 16 1HZ LYS 16 9.009 -9.173 -11.253 137 HZ3 LYS 16 2HZ LYS 16 9.200 -9.063 -9.589 138 H ASN 17 H ASN 17 5.380 -10.327 -4.493 139 HA ASN 17 HA ASN 17 4.983 -9.101 -2.618 140 HB2 ASN 17 2HB ASN 17 7.946 -8.545 -2.860 141 HB3 ASN 17 1HB ASN 17 6.977 -7.976 -1.512 142 HD21 ASN 17 1HD2 ASN 17 5.305 -10.329 -1.295 143 HD22 ASN 17 2HD2 ASN 17 6.326 -11.579 -0.716 144 H PHE 18 H PHE 18 4.575 -7.895 -5.207 145 HA PHE 18 HA PHE 18 4.592 -5.109 -4.334 146 HB2 PHE 18 2HB PHE 18 4.960 -6.129 -7.162 147 HB3 PHE 18 1HB PHE 18 4.543 -4.470 -6.778 148 HD1 PHE 18 1HD PHE 18 6.178 -3.209 -5.227 149 HD2 PHE 18 2HD PHE 18 7.171 -6.754 -7.342 150 HE1 PHE 18 1HE PHE 18 8.563 -2.645 -5.036 151 HE2 PHE 18 2HE PHE 18 9.561 -6.201 -7.158 152 HZ PHE 18 HZ PHE 18 10.260 -4.145 -6.003 153 H GLY 19 H GLY 19 2.844 -3.858 -5.275 154 HA2 GLY 19 2HA GLY 19 0.653 -4.975 -6.569 155 HA3 GLY 19 1HA GLY 19 0.362 -4.950 -4.822 156 H PHE 20 H PHE 20 -1.304 -3.357 -5.727 157 HA PHE 20 HA PHE 20 -0.099 -0.741 -5.362 158 HB2 PHE 20 2HB PHE 20 -1.868 -1.464 -7.682 159 HB3 PHE 20 1HB PHE 20 -1.742 0.183 -7.055 160 HD1 PHE 20 1HD PHE 20 0.213 -2.585 -8.579 161 HD2 PHE 20 2HD PHE 20 0.021 1.570 -7.714 162 HE1 PHE 20 1HE PHE 20 2.182 -2.201 -10.002 163 HE2 PHE 20 2HE PHE 20 1.982 1.966 -9.134 164 HZ PHE 20 HZ PHE 20 3.070 0.079 -10.284 165 H ILE 21 H ILE 21 -1.523 0.908 -4.684 166 HA ILE 21 HA ILE 21 -4.054 -0.032 -3.555 167 HB ILE 21 HB ILE 21 -1.970 1.653 -2.077 168 HG12 ILE 21 2HG1 ILE 21 -2.908 -1.168 -1.498 169 HG13 ILE 21 1HG1 ILE 21 -1.358 -0.752 -2.210 170 HG21 ILE 21 1HG2 ILE 21 -4.213 2.334 -1.527 171 HG22 ILE 21 2HG2 ILE 21 -3.464 1.496 -0.169 172 HG23 ILE 21 3HG2 ILE 21 -4.653 0.664 -1.169 173 HD11 ILE 21 3HD1 ILE 21 -2.293 0.060 0.536 174 HD12 ILE 21 1HD1 ILE 21 -0.724 0.420 -0.174 175 HD13 ILE 21 2HD1 ILE 21 -1.170 -1.252 0.178 176 H GLU 22 H GLU 22 -5.671 1.518 -3.686 177 HA GLU 22 HA GLU 22 -5.028 4.300 -4.361 178 HB2 GLU 22 2HB GLU 22 -6.721 4.324 -6.106 179 HB3 GLU 22 1HB GLU 22 -5.579 3.049 -6.500 180 HG2 GLU 22 2HG GLU 22 -7.104 1.362 -5.622 181 HG3 GLU 22 1HG GLU 22 -8.222 2.663 -5.141 182 H GLN 23 H GLN 23 -6.729 5.641 -3.312 183 HA GLN 23 HA GLN 23 -8.355 3.953 -1.637 184 HB2 GLN 23 2HB GLN 23 -9.285 5.848 -0.516 185 HB3 GLN 23 1HB GLN 23 -7.567 6.137 -0.661 186 HG2 GLN 23 2HG GLN 23 -8.045 7.653 -2.549 187 HG3 GLN 23 1HG GLN 23 -9.745 7.333 -2.311 188 HE21 GLN 23 1HE2 GLN 23 -6.939 8.747 -0.833 189 HE22 GLN 23 2HE2 GLN 23 -7.803 9.746 0.268 190 H ASP 24 H ASP 24 -10.339 3.746 -1.560 191 HA ASP 24 HA ASP 24 -11.701 3.041 -3.877 192 HB2 ASP 24 2HB ASP 24 -12.228 2.345 -1.552 193 HB3 ASP 24 1HB ASP 24 -12.961 3.905 -1.278 194 H ASN 25 H ASN 25 -11.590 6.121 -2.297 195 HA ASN 25 HA ASN 25 -13.815 7.255 -3.743 196 HB2 ASN 25 2HB ASN 25 -11.837 8.590 -1.922 197 HB3 ASN 25 1HB ASN 25 -13.362 9.266 -2.486 198 HD21 ASN 25 1HD2 ASN 25 -15.268 8.364 -1.701 199 HD22 ASN 25 2HD2 ASN 25 -15.331 7.492 -0.216 200 H GLY 26 H GLY 26 -10.716 6.619 -4.834 201 HA2 GLY 26 2HA GLY 26 -10.074 7.576 -6.975 202 HA3 GLY 26 1HA GLY 26 -10.880 9.055 -6.492 203 H GLY 27 H GLY 27 -8.368 7.010 -5.060 204 HA2 GLY 27 2HA GLY 27 -7.043 9.398 -4.027 205 HA3 GLY 27 1HA GLY 27 -6.568 7.742 -3.720 206 H LYS 28 H LYS 28 -4.646 7.264 -4.458 207 HA LYS 28 HA LYS 28 -3.682 8.513 -6.936 208 HB2 LYS 28 2HB LYS 28 -2.158 8.032 -4.391 209 HB3 LYS 28 1HB LYS 28 -1.442 8.518 -5.915 210 HG2 LYS 28 2HG LYS 28 -2.728 10.605 -5.826 211 HG3 LYS 28 1HG LYS 28 -3.396 10.102 -4.269 212 HD2 LYS 28 2HD LYS 28 -1.187 9.993 -3.312 213 HD3 LYS 28 1HD LYS 28 -0.488 10.398 -4.883 214 HE2 LYS 28 2HE LYS 28 -2.310 12.189 -3.269 215 HE3 LYS 28 1HE LYS 28 -0.557 12.331 -3.358 216 HZ1 LYS 28 3HZ LYS 28 -1.597 13.876 -4.890 217 HZ2 LYS 28 1HZ LYS 28 -2.422 12.626 -5.662 218 HZ3 LYS 28 2HZ LYS 28 -0.746 12.710 -5.731 219 H ASP 29 H ASP 29 -1.824 7.263 -7.816 220 HA ASP 29 HA ASP 29 -2.234 4.412 -7.405 221 HB2 ASP 29 2HB ASP 29 -0.676 5.870 -9.555 222 HB3 ASP 29 1HB ASP 29 -0.773 4.119 -9.413 223 H VAL 30 H VAL 30 -1.250 4.052 -5.542 224 HA VAL 30 HA VAL 30 1.636 4.523 -5.488 225 HB VAL 30 HB VAL 30 0.595 5.824 -3.707 226 HG11 VAL 30 1HG1 VAL 30 -1.526 4.585 -3.508 227 HG12 VAL 30 2HG1 VAL 30 -0.708 4.893 -1.962 228 HG13 VAL 30 3HG1 VAL 30 -0.619 3.289 -2.690 229 HG21 VAL 30 3HG2 VAL 30 1.842 3.342 -2.579 230 HG22 VAL 30 1HG2 VAL 30 1.600 4.846 -1.704 231 HG23 VAL 30 2HG2 VAL 30 2.679 4.803 -3.099 232 H PHE 31 H PHE 31 2.964 2.742 -5.222 233 HA PHE 31 HA PHE 31 1.478 0.270 -5.333 234 HB2 PHE 31 2HB PHE 31 3.469 -0.865 -6.114 235 HB3 PHE 31 1HB PHE 31 3.228 0.590 -7.054 236 HD1 PHE 31 1HD PHE 31 5.328 -1.124 -4.609 237 HD2 PHE 31 2HD PHE 31 4.846 2.393 -6.949 238 HE1 PHE 31 1HE PHE 31 7.672 -0.530 -4.184 239 HE2 PHE 31 2HE PHE 31 7.195 2.983 -6.529 240 HZ PHE 31 HZ PHE 31 8.604 1.529 -5.148 241 H VAL 32 H VAL 32 1.911 -1.489 -4.051 242 HA VAL 32 HA VAL 32 3.014 -0.713 -1.461 243 HB VAL 32 HB VAL 32 0.637 -1.361 -1.338 244 HG11 VAL 32 1HG1 VAL 32 1.503 -4.044 -2.382 245 HG12 VAL 32 2HG1 VAL 32 0.481 -2.871 -3.213 246 HG13 VAL 32 3HG1 VAL 32 -0.096 -3.659 -1.743 247 HG21 VAL 32 3HG2 VAL 32 0.807 -3.134 0.363 248 HG22 VAL 32 1HG2 VAL 32 1.949 -1.810 0.635 249 HG23 VAL 32 2HG2 VAL 32 2.499 -3.347 -0.056 250 H HIS 33 H HIS 33 4.607 -1.847 -0.602 251 HA HIS 33 HA HIS 33 5.575 -4.221 -2.049 252 HB2 HIS 33 2HB HIS 33 6.993 -2.223 -2.559 253 HB3 HIS 33 1HB HIS 33 7.266 -2.014 -0.831 254 HD1 HIS 33 1HD HIS 33 7.443 -5.173 -2.938 255 HD2 HIS 33 2HD HIS 33 9.776 -2.851 -0.431 256 HE1 HIS 33 1HE HIS 33 9.501 -6.463 -2.576 257 HE2 HIS 33 2HE HIS 33 10.739 -5.189 -0.837 258 H LYS 34 H LYS 34 6.806 -5.674 -0.652 259 HA LYS 34 HA LYS 34 5.239 -6.113 1.620 260 HB2 LYS 34 2HB LYS 34 6.065 -8.013 0.450 261 HB3 LYS 34 1HB LYS 34 7.734 -7.550 0.725 262 HG2 LYS 34 2HG LYS 34 7.525 -8.021 3.084 263 HG3 LYS 34 1HG LYS 34 5.791 -8.292 2.903 264 HD2 LYS 34 2HD LYS 34 6.115 -10.113 1.579 265 HD3 LYS 34 1HD LYS 34 7.877 -9.888 1.481 266 HE2 LYS 34 2HE LYS 34 6.246 -10.548 3.958 267 HE3 LYS 34 1HE LYS 34 7.236 -11.695 3.060 268 HZ1 LYS 34 3HZ LYS 34 9.188 -10.400 3.626 269 HZ2 LYS 34 1HZ LYS 34 8.382 -10.912 5.003 270 HZ3 LYS 34 2HZ LYS 34 8.283 -9.303 4.529 271 H SER 35 H SER 35 8.231 -4.456 1.308 272 HA SER 35 HA SER 35 9.086 -4.314 3.957 273 HB2 SER 35 2HB SER 35 8.901 -1.973 2.044 274 HB3 SER 35 1HB SER 35 9.991 -2.117 3.425 275 HG SER 35 HG SER 35 10.745 -4.096 2.306 276 H ALA 36 H ALA 36 6.155 -2.968 2.627 277 HA ALA 36 HA ALA 36 5.532 -1.269 4.843 278 HB1 ALA 36 1HB ALA 36 3.703 -2.558 2.907 279 HB2 ALA 36 2HB ALA 36 4.582 -1.057 2.553 280 HB3 ALA 36 3HB ALA 36 3.400 -1.115 3.884 281 H VAL 37 H VAL 37 4.752 -4.521 3.802 282 HA VAL 37 HA VAL 37 3.058 -5.190 5.957 283 HB VAL 37 HB VAL 37 4.736 -7.027 4.154 284 HG11 VAL 37 1HG1 VAL 37 2.513 -7.764 6.067 285 HG12 VAL 37 2HG1 VAL 37 4.192 -7.997 6.409 286 HG13 VAL 37 3HG1 VAL 37 3.449 -8.849 5.044 287 HG21 VAL 37 3HG2 VAL 37 2.969 -5.731 3.008 288 HG22 VAL 37 1HG2 VAL 37 1.793 -6.342 4.169 289 HG23 VAL 37 2HG2 VAL 37 2.594 -7.456 3.067 290 H ASP 38 H ASP 38 6.485 -5.610 5.300 291 HA ASP 38 HA ASP 38 7.148 -6.894 7.699 292 HB2 ASP 38 2HB ASP 38 8.891 -5.118 5.977 293 HB3 ASP 38 1HB ASP 38 9.482 -6.097 7.312 294 H ALA 39 H ALA 39 6.446 -3.584 7.030 295 HA ALA 39 HA ALA 39 7.713 -2.517 9.323 296 HB1 ALA 39 1HB ALA 39 7.060 -1.129 7.411 297 HB2 ALA 39 2HB ALA 39 6.390 -0.510 8.919 298 HB3 ALA 39 3HB ALA 39 5.363 -1.404 7.801 299 H ALA 40 H ALA 40 4.616 -4.091 8.899 300 HA ALA 40 HA ALA 40 4.090 -3.621 11.777 301 HB1 ALA 40 1HB ALA 40 1.724 -3.307 11.361 302 HB2 ALA 40 2HB ALA 40 1.980 -3.547 9.633 303 HB3 ALA 40 3HB ALA 40 2.670 -2.137 10.436 304 H GLY 41 H GLY 41 4.557 -5.919 9.470 305 HA2 GLY 41 2HA GLY 41 4.269 -8.120 9.316 306 HA3 GLY 41 1HA GLY 41 3.886 -8.189 11.012 307 H LEU 42 H LEU 42 2.399 -6.807 8.122 308 HA LEU 42 HA LEU 42 -0.257 -7.366 8.961 309 HB2 LEU 42 2HB LEU 42 0.812 -5.633 7.249 310 HB3 LEU 42 1HB LEU 42 0.586 -6.939 6.113 311 HG LEU 42 HG LEU 42 -1.172 -5.383 5.922 312 HD11 LEU 42 1HD1 LEU 42 -2.185 -7.864 7.296 313 HD12 LEU 42 2HD1 LEU 42 -1.842 -7.679 5.574 314 HD13 LEU 42 3HD1 LEU 42 -3.167 -6.779 6.312 315 HD21 LEU 42 3HD2 LEU 42 -2.719 -4.852 7.756 316 HD22 LEU 42 1HD2 LEU 42 -1.056 -4.352 8.073 317 HD23 LEU 42 2HD2 LEU 42 -1.705 -5.796 8.852 318 H HIS 43 H HIS 43 -1.287 -9.318 8.670 319 HA HIS 43 HA HIS 43 0.412 -11.432 7.827 320 HB2 HIS 43 2HB HIS 43 -2.368 -11.520 8.953 321 HB3 HIS 43 1HB HIS 43 -1.461 -12.958 8.502 322 HD1 HIS 43 1HD HIS 43 -1.693 -10.315 11.128 323 HD2 HIS 43 2HD HIS 43 0.761 -13.526 10.155 324 HE1 HIS 43 1HE HIS 43 -0.313 -10.740 13.152 325 HE2 HIS 43 2HE HIS 43 0.968 -12.820 12.636 326 H SER 44 H SER 44 -2.399 -9.944 6.308 327 HA SER 44 HA SER 44 -1.738 -11.400 3.898 328 HB2 SER 44 2HB SER 44 -4.466 -11.747 5.100 329 HB3 SER 44 1HB SER 44 -3.931 -12.383 3.569 330 HG SER 44 HG SER 44 -3.909 -13.861 5.418 331 H LEU 45 H LEU 45 -2.270 -10.323 2.167 332 HA LEU 45 HA LEU 45 -4.224 -8.117 2.334 333 HB2 LEU 45 2HB LEU 45 -1.874 -8.171 0.392 334 HB3 LEU 45 1HB LEU 45 -3.053 -6.948 0.615 335 HG LEU 45 HG LEU 45 -1.085 -7.638 2.778 336 HD11 LEU 45 1HD1 LEU 45 -1.044 -5.410 0.742 337 HD12 LEU 45 2HD1 LEU 45 0.064 -6.782 0.804 338 HD13 LEU 45 3HD1 LEU 45 0.065 -5.590 2.099 339 HD21 LEU 45 3HD2 LEU 45 -2.973 -5.307 2.390 340 HD22 LEU 45 1HD2 LEU 45 -1.804 -5.485 3.698 341 HD23 LEU 45 2HD2 LEU 45 -3.157 -6.605 3.569 342 H GLU 46 H GLU 46 -5.582 -7.853 0.585 343 HA GLU 46 HA GLU 46 -5.420 -9.538 -1.708 344 HB2 GLU 46 2HB GLU 46 -7.757 -10.362 -1.447 345 HB3 GLU 46 1HB GLU 46 -6.707 -11.006 -0.195 346 HG2 GLU 46 2HG GLU 46 -7.588 -9.404 1.396 347 HG3 GLU 46 1HG GLU 46 -8.579 -8.674 0.135 348 H GLU 47 H GLU 47 -7.363 -8.798 -3.156 349 HA GLU 47 HA GLU 47 -7.213 -5.946 -3.123 350 HB2 GLU 47 2HB GLU 47 -8.532 -5.993 -5.190 351 HB3 GLU 47 1HB GLU 47 -7.127 -7.031 -5.280 352 HG2 GLU 47 2HG GLU 47 -9.918 -7.993 -4.727 353 HG3 GLU 47 1HG GLU 47 -9.176 -7.916 -6.322 354 H GLY 48 H GLY 48 -8.995 -4.557 -3.205 355 HA2 GLY 48 2HA GLY 48 -11.169 -3.864 -2.644 356 HA3 GLY 48 1HA GLY 48 -11.544 -5.526 -2.226 357 H GLN 49 H GLN 49 -8.739 -4.819 -0.679 358 HA GLN 49 HA GLN 49 -10.052 -4.576 1.872 359 HB2 GLN 49 2HB GLN 49 -7.213 -4.880 1.002 360 HB3 GLN 49 1HB GLN 49 -7.669 -4.634 2.671 361 HG2 GLN 49 2HG GLN 49 -8.962 -6.706 1.135 362 HG3 GLN 49 1HG GLN 49 -7.291 -7.052 1.671 363 HE21 GLN 49 1HE2 GLN 49 -9.874 -5.270 3.399 364 HE22 GLN 49 2HE2 GLN 49 -9.998 -6.410 4.658 365 H ASP 50 H ASP 50 -10.489 -2.658 2.667 366 HA ASP 50 HA ASP 50 -9.028 -0.298 1.878 367 HB2 ASP 50 2HB ASP 50 -10.903 -0.662 4.233 368 HB3 ASP 50 1HB ASP 50 -10.069 0.848 3.889 369 H VAL 51 H VAL 51 -7.266 0.503 2.646 370 HA VAL 51 HA VAL 51 -6.147 -0.699 5.007 371 HB VAL 51 HB VAL 51 -5.440 -1.998 3.090 372 HG11 VAL 51 1HG1 VAL 51 -5.427 -0.363 1.283 373 HG12 VAL 51 2HG1 VAL 51 -3.835 -1.079 1.398 374 HG13 VAL 51 3HG1 VAL 51 -4.123 0.521 2.053 375 HG21 VAL 51 3HG2 VAL 51 -3.234 -0.450 4.414 376 HG22 VAL 51 1HG2 VAL 51 -3.022 -2.011 3.594 377 HG23 VAL 51 2HG2 VAL 51 -4.073 -1.867 5.027 378 H ILE 52 H ILE 52 -4.622 0.481 5.933 379 HA ILE 52 HA ILE 52 -4.546 3.353 5.266 380 HB ILE 52 HB ILE 52 -4.252 1.969 7.948 381 HG12 ILE 52 2HG1 ILE 52 -6.582 3.618 6.941 382 HG13 ILE 52 1HG1 ILE 52 -6.551 1.861 7.012 383 HG21 ILE 52 1HG2 ILE 52 -4.391 4.237 8.909 384 HG22 ILE 52 2HG2 ILE 52 -4.433 4.911 7.279 385 HG23 ILE 52 3HG2 ILE 52 -2.995 4.059 7.842 386 HD11 ILE 52 3HD1 ILE 52 -6.337 1.950 9.422 387 HD12 ILE 52 1HD1 ILE 52 -7.780 2.800 8.874 388 HD13 ILE 52 2HD1 ILE 52 -6.351 3.718 9.377 389 H PHE 53 H PHE 53 -2.499 4.191 5.018 390 HA PHE 53 HA PHE 53 -0.199 2.681 5.979 391 HB2 PHE 53 2HB PHE 53 0.877 2.781 3.744 392 HB3 PHE 53 1HB PHE 53 -0.447 1.644 3.778 393 HD1 PHE 53 1HD PHE 53 -2.614 2.304 2.705 394 HD2 PHE 53 2HD PHE 53 0.910 4.654 2.313 395 HE1 PHE 53 1HE PHE 53 -3.580 3.423 0.767 396 HE2 PHE 53 2HE PHE 53 -0.059 5.778 0.362 397 HZ PHE 53 HZ PHE 53 -2.296 5.162 -0.418 398 H ASP 54 H ASP 54 1.861 3.924 5.156 399 HA ASP 54 HA ASP 54 1.298 6.795 5.305 400 HB2 ASP 54 2HB ASP 54 3.850 5.346 6.092 401 HB3 ASP 54 1HB ASP 54 3.566 7.072 6.207 402 H LEU 55 H LEU 55 2.711 8.044 3.924 403 HA LEU 55 HA LEU 55 3.944 6.478 1.792 404 HB2 LEU 55 2HB LEU 55 1.714 6.767 1.003 405 HB3 LEU 55 1HB LEU 55 1.760 8.467 1.414 406 HG LEU 55 HG LEU 55 3.235 8.933 -0.451 407 HD11 LEU 55 1HD1 LEU 55 4.510 6.845 -0.384 408 HD12 LEU 55 2HD1 LEU 55 3.940 7.236 -1.987 409 HD13 LEU 55 3HD1 LEU 55 3.121 5.983 -1.041 410 HD21 LEU 55 3HD2 LEU 55 1.748 8.383 -2.289 411 HD22 LEU 55 1HD2 LEU 55 0.825 8.880 -0.877 412 HD23 LEU 55 2HD2 LEU 55 0.929 7.169 -1.313 413 H GLU 56 H GLU 56 5.621 7.285 0.927 414 HA GLU 56 HA GLU 56 6.281 10.101 1.231 415 HB2 GLU 56 2HB GLU 56 7.604 8.718 2.865 416 HB3 GLU 56 1HB GLU 56 8.215 7.771 1.518 417 HG2 GLU 56 2HG GLU 56 9.861 9.402 2.242 418 HG3 GLU 56 1HG GLU 56 9.304 9.766 0.610 419 H GLU 57 H GLU 57 6.919 10.937 -0.704 420 HA GLU 57 HA GLU 57 6.701 9.150 -2.942 421 HB2 GLU 57 2HB GLU 57 6.954 12.160 -2.866 422 HB3 GLU 57 1HB GLU 57 6.776 11.218 -4.342 423 HG2 GLU 57 2HG GLU 57 4.612 10.393 -3.556 424 HG3 GLU 57 1HG GLU 57 4.787 11.332 -2.078 425 H LYS 58 H LYS 58 8.217 8.199 -3.795 426 HA LYS 58 HA LYS 58 10.960 8.712 -3.152 427 HB2 LYS 58 2HB LYS 58 10.053 6.428 -3.152 428 HB3 LYS 58 1HB LYS 58 9.616 6.584 -4.834 429 HG2 LYS 58 2HG LYS 58 11.944 6.687 -5.467 430 HG3 LYS 58 1HG LYS 58 12.442 6.637 -3.773 431 HD2 LYS 58 2HD LYS 58 12.689 4.404 -4.719 432 HD3 LYS 58 1HD LYS 58 11.350 4.411 -3.573 433 HE2 LYS 58 2HE LYS 58 9.750 4.540 -5.419 434 HE3 LYS 58 1HE LYS 58 11.075 4.589 -6.581 435 HZ1 LYS 58 3HZ LYS 58 10.194 2.340 -6.439 436 HZ2 LYS 58 1HZ LYS 58 10.429 2.288 -4.776 437 HZ3 LYS 58 2HZ LYS 58 11.728 2.359 -5.813 438 H GLN 59 H GLN 59 11.022 10.776 -4.196 439 HA GLN 59 HA GLN 59 11.633 12.234 -5.816 440 HB2 GLN 59 2HB GLN 59 12.680 9.729 -7.146 441 HB3 GLN 59 1HB GLN 59 13.063 11.364 -7.667 442 HG2 GLN 59 2HG GLN 59 14.071 11.789 -5.450 443 HG3 GLN 59 1HG GLN 59 13.756 10.113 -5.016 444 HE21 GLN 59 1HE2 GLN 59 14.989 8.468 -5.998 445 HE22 GLN 59 2HE2 GLN 59 16.445 8.839 -6.830 446 H GLY 60 H GLY 60 8.990 10.836 -6.033 447 HA2 GLY 60 2HA GLY 60 7.459 11.983 -7.711 448 HA3 GLY 60 1HA GLY 60 8.508 11.239 -8.909 449 H LYS 61 H LYS 61 8.856 8.809 -7.331 450 HA LYS 61 HA LYS 61 6.475 7.427 -8.203 451 HB2 LYS 61 2HB LYS 61 8.880 6.647 -8.480 452 HB3 LYS 61 1HB LYS 61 8.932 6.413 -6.747 453 HG2 LYS 61 2HG LYS 61 8.537 4.293 -7.521 454 HG3 LYS 61 1HG LYS 61 6.910 4.867 -7.161 455 HD2 LYS 61 2HD LYS 61 8.197 4.914 -9.876 456 HD3 LYS 61 1HD LYS 61 7.099 3.634 -9.345 457 HE2 LYS 61 2HE LYS 61 5.370 5.499 -9.082 458 HE3 LYS 61 1HE LYS 61 6.545 6.549 -9.873 459 HZ1 LYS 61 3HZ LYS 61 4.936 5.685 -11.422 460 HZ2 LYS 61 1HZ LYS 61 5.363 4.113 -11.056 461 HZ3 LYS 61 2HZ LYS 61 6.480 5.128 -11.813 462 H ALA 62 H ALA 62 5.430 5.856 -6.499 463 HA ALA 62 HA ALA 62 5.585 7.001 -3.821 464 HB1 ALA 62 1HB ALA 62 3.760 8.155 -4.954 465 HB2 ALA 62 2HB ALA 62 3.101 7.074 -3.720 466 HB3 ALA 62 3HB ALA 62 3.047 6.614 -5.406 467 H TYR 63 H TYR 63 5.629 5.436 -2.286 468 HA TYR 63 HA TYR 63 4.407 2.898 -2.948 469 HB2 TYR 63 2HB TYR 63 6.235 1.639 -2.001 470 HB3 TYR 63 1HB TYR 63 6.741 2.575 -3.390 471 HD1 TYR 63 2HD TYR 63 7.824 4.971 -2.693 472 HD2 TYR 63 1HD TYR 63 7.556 1.569 -0.165 473 HE1 TYR 63 2HE TYR 63 9.663 5.852 -1.294 474 HE2 TYR 63 1HE TYR 63 9.371 2.441 1.216 475 HH TYR 63 HH TYR 63 10.401 5.566 1.105 476 H ALA 64 H ALA 64 3.398 1.997 -1.460 477 HA ALA 64 HA ALA 64 2.732 3.452 1.000 478 HB1 ALA 64 1HB ALA 64 1.044 1.733 1.286 479 HB2 ALA 64 2HB ALA 64 1.702 0.816 -0.068 480 HB3 ALA 64 3HB ALA 64 0.958 2.400 -0.335 481 H VAL 65 H VAL 65 3.335 3.089 2.897 482 HA VAL 65 HA VAL 65 4.698 0.605 3.596 483 HB VAL 65 HB VAL 65 6.360 1.859 4.971 484 HG11 VAL 65 1HG1 VAL 65 7.026 1.022 2.800 485 HG12 VAL 65 2HG1 VAL 65 7.820 2.564 3.136 486 HG13 VAL 65 3HG1 VAL 65 6.444 2.500 2.034 487 HG21 VAL 65 3HG2 VAL 65 5.310 4.281 3.506 488 HG22 VAL 65 1HG2 VAL 65 6.755 4.250 4.524 489 HG23 VAL 65 2HG2 VAL 65 5.165 3.953 5.230 490 H ASN 66 H ASN 66 4.801 0.296 5.960 491 HA ASN 66 HA ASN 66 3.773 0.116 7.982 492 HB2 ASN 66 2HB ASN 66 4.503 2.594 8.063 493 HB3 ASN 66 1HB ASN 66 2.889 2.952 7.574 494 HD21 ASN 66 1HD2 ASN 66 1.216 2.803 8.954 495 HD22 ASN 66 2HD2 ASN 66 1.347 2.562 10.663 496 H LEU 67 H LEU 67 2.299 -1.281 6.605 497 HA LEU 67 HA LEU 67 -0.249 -0.098 6.052 498 HB2 LEU 67 2HB LEU 67 0.507 -2.995 5.956 499 HB3 LEU 67 1HB LEU 67 -0.999 -2.308 5.396 500 HG LEU 67 HG LEU 67 1.729 -2.073 4.170 501 HD11 LEU 67 1HD1 LEU 67 0.351 -3.991 3.668 502 HD12 LEU 67 2HD1 LEU 67 0.587 -2.902 2.270 503 HD13 LEU 67 3HD1 LEU 67 -0.920 -2.836 3.189 504 HD21 LEU 67 3HD2 LEU 67 -0.719 -0.462 3.480 505 HD22 LEU 67 1HD2 LEU 67 0.775 -0.540 2.540 506 HD23 LEU 67 2HD2 LEU 67 0.800 0.156 4.155 507 H ARG 68 H ARG 68 -2.028 -0.269 7.039 508 HA ARG 68 HA ARG 68 -2.303 -1.948 9.441 509 HB2 ARG 68 2HB ARG 68 -1.823 0.553 9.941 510 HB3 ARG 68 1HB ARG 68 -3.380 0.893 9.193 511 HG2 ARG 68 2HG ARG 68 -3.787 0.867 11.462 512 HG3 ARG 68 1HG ARG 68 -4.275 -0.755 10.948 513 HD2 ARG 68 2HD ARG 68 -2.940 -0.940 12.934 514 HD3 ARG 68 1HD ARG 68 -2.021 -1.573 11.564 515 HE ARG 68 HE ARG 68 -1.592 1.212 12.267 516 HH11 ARG 68 1HH1 ARG 68 -0.341 -2.083 12.501 517 HH12 ARG 68 2HH1 ARG 68 1.232 -1.609 12.950 518 HH21 ARG 68 1HH2 ARG 68 0.566 1.876 12.865 519 HH22 ARG 68 2HH2 ARG 68 1.763 0.707 13.155 520 H ILE 69 H ILE 69 -4.300 -3.048 9.181 521 HA ILE 69 HA ILE 69 -5.797 -2.109 6.896 522 HB ILE 69 HB ILE 69 -7.037 -4.329 6.971 523 HG12 ILE 69 2HG1 ILE 69 -5.706 -6.263 7.926 524 HG13 ILE 69 1HG1 ILE 69 -4.734 -5.096 8.795 525 HG21 ILE 69 1HG2 ILE 69 -5.297 -5.513 5.754 526 HG22 ILE 69 2HG2 ILE 69 -4.134 -4.285 6.272 527 HG23 ILE 69 3HG2 ILE 69 -5.505 -3.836 5.252 528 HD11 ILE 69 3HD1 ILE 69 -7.679 -5.562 9.128 529 HD12 ILE 69 1HD1 ILE 69 -6.724 -4.377 10.020 530 HD13 ILE 69 2HD1 ILE 69 -6.406 -6.105 10.224 531 H LYS 70 H LYS 70 -7.874 -1.659 6.779 532 HA LYS 70 HA LYS 70 -9.219 -0.517 8.922 533 HB2 LYS 70 2HB LYS 70 -9.832 -0.161 6.517 534 HB3 LYS 70 1HB LYS 70 -10.420 -1.811 6.466 535 HG2 LYS 70 2HG LYS 70 -12.031 -1.213 8.237 536 HG3 LYS 70 1HG LYS 70 -11.498 0.465 8.060 537 HD2 LYS 70 2HD LYS 70 -13.510 0.170 6.727 538 HD3 LYS 70 1HD LYS 70 -12.107 0.334 5.656 539 HE2 LYS 70 2HE LYS 70 -12.026 -2.102 5.367 540 HE3 LYS 70 1HE LYS 70 -13.386 -2.284 6.465 541 HZ1 LYS 70 3HZ LYS 70 -14.752 -1.055 4.855 542 HZ2 LYS 70 1HZ LYS 70 -14.107 -2.451 4.191 543 HZ3 LYS 70 2HZ LYS 70 -13.440 -0.994 3.776 Start of MODEL 17 1 H1 MET 1 1HT MET 1 6.453 13.884 3.308 2 H2 MET 1 2HT MET 1 5.746 13.316 1.880 3 H3 MET 1 3HT MET 1 7.256 12.725 2.341 4 HA MET 1 HA MET 1 5.539 11.142 2.755 5 HB2 MET 1 2HB MET 1 7.422 11.249 4.357 6 HB3 MET 1 1HB MET 1 6.521 12.395 5.333 7 HG2 MET 1 2HG MET 1 4.805 10.686 5.734 8 HG3 MET 1 1HG MET 1 5.743 9.535 4.789 9 HE1 MET 1 2HE MET 1 6.222 8.171 8.421 10 HE2 MET 1 3HE MET 1 5.758 7.778 6.766 11 HE3 MET 1 1HE MET 1 4.762 8.872 7.723 12 H ALA 2 H ALA 2 3.526 10.712 3.192 13 HA ALA 2 HA ALA 2 1.816 12.756 4.429 14 HB1 ALA 2 1HB ALA 2 -0.016 11.623 3.131 15 HB2 ALA 2 2HB ALA 2 1.236 10.630 2.376 16 HB3 ALA 2 3HB ALA 2 1.219 12.364 2.106 17 H THR 3 H THR 3 0.344 11.943 6.031 18 HA THR 3 HA THR 3 1.039 9.248 6.966 19 HB THR 3 HB THR 3 0.678 10.102 9.296 20 HG1 THR 3 1HG THR 3 0.553 12.577 7.900 21 HG21 THR 3 3HG2 THR 3 2.895 11.435 7.727 22 HG22 THR 3 1HG2 THR 3 2.949 9.814 8.416 23 HG23 THR 3 2HG2 THR 3 2.874 11.222 9.477 24 H ASN 4 H ASN 4 -0.501 7.954 7.738 25 HA ASN 4 HA ASN 4 -2.496 6.983 7.863 26 HB2 ASN 4 2HB ASN 4 -3.294 9.647 9.044 27 HB3 ASN 4 1HB ASN 4 -4.349 8.237 9.034 28 HD21 ASN 4 1HD2 ASN 4 -3.161 9.704 11.280 29 HD22 ASN 4 2HD2 ASN 4 -2.261 8.534 12.173 30 H ILE 5 H ILE 5 -2.482 6.776 5.689 31 HA ILE 5 HA ILE 5 -4.258 8.527 4.176 32 HB ILE 5 HB ILE 5 -2.379 6.350 3.271 33 HG12 ILE 5 2HG1 ILE 5 -2.115 9.345 3.398 34 HG13 ILE 5 1HG1 ILE 5 -1.211 8.079 4.250 35 HG21 ILE 5 1HG2 ILE 5 -4.207 6.663 1.685 36 HG22 ILE 5 2HG2 ILE 5 -2.675 7.240 1.026 37 HG23 ILE 5 3HG2 ILE 5 -3.872 8.404 1.614 38 HD11 ILE 5 3HD1 ILE 5 -0.238 7.347 2.206 39 HD12 ILE 5 1HD1 ILE 5 0.047 9.075 2.447 40 HD13 ILE 5 2HD1 ILE 5 -1.190 8.528 1.303 41 H VAL 6 H VAL 6 -5.899 7.694 2.940 42 HA VAL 6 HA VAL 6 -6.942 5.170 3.906 43 HB VAL 6 HB VAL 6 -8.313 7.408 2.397 44 HG11 VAL 6 1HG1 VAL 6 -9.183 5.244 1.710 45 HG12 VAL 6 2HG1 VAL 6 -10.408 6.144 2.619 46 HG13 VAL 6 3HG1 VAL 6 -9.514 4.806 3.369 47 HG21 VAL 6 3HG2 VAL 6 -8.674 6.421 5.224 48 HG22 VAL 6 1HG2 VAL 6 -9.632 7.685 4.450 49 HG23 VAL 6 2HG2 VAL 6 -7.904 7.931 4.739 50 H GLY 7 H GLY 7 -7.041 3.523 2.555 51 HA2 GLY 7 2HA GLY 7 -7.932 3.841 0.047 52 HA3 GLY 7 1HA GLY 7 -6.257 3.507 -0.191 53 H LYS 8 H LYS 8 -7.553 1.863 -1.252 54 HA LYS 8 HA LYS 8 -7.897 -0.451 0.495 55 HB2 LYS 8 2HB LYS 8 -9.990 0.325 -0.401 56 HB3 LYS 8 1HB LYS 8 -9.306 0.374 -2.018 57 HG2 LYS 8 2HG LYS 8 -9.112 -2.017 -2.057 58 HG3 LYS 8 1HG LYS 8 -9.689 -2.130 -0.392 59 HD2 LYS 8 2HD LYS 8 -11.267 -0.938 -2.665 60 HD3 LYS 8 1HD LYS 8 -11.448 -2.603 -2.100 61 HE2 LYS 8 2HE LYS 8 -12.151 -1.830 0.074 62 HE3 LYS 8 1HE LYS 8 -11.834 -0.159 -0.358 63 HZ1 LYS 8 3HZ LYS 8 -13.869 -1.871 -1.664 64 HZ2 LYS 8 1HZ LYS 8 -13.534 -0.241 -1.972 65 HZ3 LYS 8 2HZ LYS 8 -14.169 -0.702 -0.480 66 H VAL 9 H VAL 9 -6.918 -2.283 -0.175 67 HA VAL 9 HA VAL 9 -4.666 -2.119 -1.817 68 HB VAL 9 HB VAL 9 -6.237 -4.604 -1.056 69 HG11 VAL 9 1HG1 VAL 9 -4.829 -5.050 -2.934 70 HG12 VAL 9 2HG1 VAL 9 -4.137 -5.822 -1.501 71 HG13 VAL 9 3HG1 VAL 9 -3.429 -4.331 -2.135 72 HG21 VAL 9 3HG2 VAL 9 -3.815 -3.351 0.233 73 HG22 VAL 9 1HG2 VAL 9 -4.556 -4.878 0.709 74 HG23 VAL 9 2HG2 VAL 9 -5.450 -3.367 0.894 75 H LYS 10 H LYS 10 -4.675 -1.670 -3.821 76 HA LYS 10 HA LYS 10 -6.878 -1.884 -5.581 77 HB2 LYS 10 2HB LYS 10 -5.066 -0.170 -5.557 78 HB3 LYS 10 1HB LYS 10 -3.934 -1.407 -6.028 79 HG2 LYS 10 2HG LYS 10 -5.155 -1.616 -8.172 80 HG3 LYS 10 1HG LYS 10 -6.181 -0.265 -7.660 81 HD2 LYS 10 2HD LYS 10 -4.218 1.158 -7.373 82 HD3 LYS 10 1HD LYS 10 -3.190 -0.200 -7.816 83 HE2 LYS 10 2HE LYS 10 -3.321 1.233 -9.590 84 HE3 LYS 10 1HE LYS 10 -4.245 -0.213 -10.031 85 HZ1 LYS 10 3HZ LYS 10 -5.176 2.505 -9.367 86 HZ2 LYS 10 1HZ LYS 10 -6.256 1.239 -9.233 87 HZ3 LYS 10 2HZ LYS 10 -5.557 1.610 -10.744 88 H TRP 11 H TRP 11 -3.706 -3.467 -5.285 89 HA TRP 11 HA TRP 11 -4.719 -6.029 -5.630 90 HB2 TRP 11 2HB TRP 11 -3.549 -6.705 -7.661 91 HB3 TRP 11 1HB TRP 11 -4.797 -5.553 -8.041 92 HD1 TRP 11 HD TRP 11 -3.851 -3.047 -8.820 93 HE1 TRP 11 1HE TRP 11 -1.604 -2.409 -9.932 94 HE3 TRP 11 3HE TRP 11 -1.213 -7.233 -7.753 95 HZ2 TRP 11 2HZ TRP 11 0.944 -3.538 -10.303 96 HZ3 TRP 11 3HZ TRP 11 1.146 -7.405 -8.523 97 HH2 TRP 11 HH TRP 11 2.189 -5.587 -9.772 98 H TYR 12 H TYR 12 -3.096 -7.567 -5.416 99 HA TYR 12 HA TYR 12 -0.395 -6.736 -4.869 100 HB2 TYR 12 2HB TYR 12 -1.497 -6.133 -2.735 101 HB3 TYR 12 1HB TYR 12 -2.085 -7.783 -2.582 102 HD1 TYR 12 2HD TYR 12 0.947 -5.672 -2.569 103 HD2 TYR 12 1HD TYR 12 -0.669 -9.509 -1.714 104 HE1 TYR 12 2HE TYR 12 3.011 -6.268 -1.370 105 HE2 TYR 12 1HE TYR 12 1.389 -10.116 -0.516 106 HH TYR 12 HH TYR 12 3.686 -9.488 -0.394 107 H ASN 13 H ASN 13 0.650 -8.211 -5.907 108 HA ASN 13 HA ASN 13 -0.360 -10.934 -5.817 109 HB2 ASN 13 2HB ASN 13 1.610 -9.640 -7.704 110 HB3 ASN 13 1HB ASN 13 1.273 -11.367 -7.684 111 HD21 ASN 13 1HD2 ASN 13 0.875 -9.464 -9.803 112 HD22 ASN 13 2HD2 ASN 13 -0.802 -9.492 -10.205 113 H SER 14 H SER 14 0.478 -12.274 -4.528 114 HA SER 14 HA SER 14 2.597 -11.684 -2.808 115 HB2 SER 14 2HB SER 14 1.336 -14.348 -3.470 116 HB3 SER 14 1HB SER 14 2.223 -13.943 -1.997 117 HG SER 14 HG SER 14 0.596 -12.673 -1.326 118 H THR 15 H THR 15 2.409 -13.126 -5.942 119 HA THR 15 HA THR 15 4.666 -14.677 -6.162 120 HB THR 15 HB THR 15 3.608 -12.760 -8.246 121 HG1 THR 15 1HG THR 15 2.765 -15.360 -7.481 122 HG21 THR 15 3HG2 THR 15 5.703 -13.917 -8.848 123 HG22 THR 15 1HG2 THR 15 4.351 -14.501 -9.816 124 HG23 THR 15 2HG2 THR 15 4.949 -15.468 -8.468 125 H LYS 16 H LYS 16 4.356 -11.137 -6.525 126 HA LYS 16 HA LYS 16 7.272 -10.989 -6.800 127 HB2 LYS 16 2HB LYS 16 5.145 -9.020 -7.584 128 HB3 LYS 16 1HB LYS 16 6.870 -8.723 -7.718 129 HG2 LYS 16 2HG LYS 16 7.083 -10.571 -9.281 130 HG3 LYS 16 1HG LYS 16 5.359 -10.909 -9.124 131 HD2 LYS 16 2HD LYS 16 4.842 -8.694 -10.003 132 HD3 LYS 16 1HD LYS 16 6.565 -8.341 -10.138 133 HE2 LYS 16 2HE LYS 16 6.825 -10.145 -11.743 134 HE3 LYS 16 1HE LYS 16 5.122 -10.561 -11.568 135 HZ1 LYS 16 3HZ LYS 16 4.546 -8.386 -12.413 136 HZ2 LYS 16 1HZ LYS 16 5.467 -9.216 -13.536 137 HZ3 LYS 16 2HZ LYS 16 6.163 -7.980 -12.613 138 H ASN 17 H ASN 17 4.913 -10.573 -4.533 139 HA ASN 17 HA ASN 17 4.904 -9.760 -2.404 140 HB2 ASN 17 2HB ASN 17 7.825 -9.069 -2.909 141 HB3 ASN 17 1HB ASN 17 7.030 -8.968 -1.353 142 HD21 ASN 17 1HD2 ASN 17 5.544 -11.496 -1.741 143 HD22 ASN 17 2HD2 ASN 17 6.714 -12.735 -1.589 144 H PHE 18 H PHE 18 4.411 -8.039 -4.862 145 HA PHE 18 HA PHE 18 4.053 -5.689 -3.304 146 HB2 PHE 18 2HB PHE 18 4.982 -4.081 -4.932 147 HB3 PHE 18 1HB PHE 18 6.221 -5.098 -4.249 148 HD1 PHE 18 1HD PHE 18 4.187 -4.470 -7.271 149 HD2 PHE 18 2HD PHE 18 7.611 -6.398 -5.646 150 HE1 PHE 18 1HE PHE 18 4.993 -4.938 -9.543 151 HE2 PHE 18 2HE PHE 18 8.427 -6.863 -7.915 152 HZ PHE 18 HZ PHE 18 7.118 -6.133 -9.866 153 H GLY 19 H GLY 19 2.832 -4.008 -4.482 154 HA2 GLY 19 2HA GLY 19 1.201 -4.734 -6.676 155 HA3 GLY 19 1HA GLY 19 0.360 -4.933 -5.135 156 H PHE 20 H PHE 20 -1.044 -3.254 -5.621 157 HA PHE 20 HA PHE 20 0.093 -0.617 -5.123 158 HB2 PHE 20 2HB PHE 20 -1.635 -1.348 -7.443 159 HB3 PHE 20 1HB PHE 20 -1.682 0.274 -6.738 160 HD1 PHE 20 1HD PHE 20 0.562 -2.226 -8.358 161 HD2 PHE 20 2HD PHE 20 -0.087 1.863 -7.400 162 HE1 PHE 20 1HE PHE 20 2.466 -1.592 -9.782 163 HE2 PHE 20 2HE PHE 20 1.808 2.505 -8.823 164 HZ PHE 20 HZ PHE 20 3.089 0.781 -10.016 165 H ILE 21 H ILE 21 -1.650 1.000 -4.673 166 HA ILE 21 HA ILE 21 -4.023 -0.119 -3.383 167 HB ILE 21 HB ILE 21 -2.068 1.751 -1.942 168 HG12 ILE 21 2HG1 ILE 21 -2.754 -1.132 -1.368 169 HG13 ILE 21 1HG1 ILE 21 -1.243 -0.569 -2.041 170 HG21 ILE 21 1HG2 ILE 21 -4.352 2.249 -1.395 171 HG22 ILE 21 2HG2 ILE 21 -3.524 1.498 -0.029 172 HG23 ILE 21 3HG2 ILE 21 -4.645 0.550 -1.004 173 HD11 ILE 21 3HD1 ILE 21 -2.286 0.150 0.693 174 HD12 ILE 21 1HD1 ILE 21 -0.749 0.661 -0.001 175 HD13 ILE 21 2HD1 ILE 21 -1.034 -1.044 0.347 176 H GLU 22 H GLU 22 -5.773 1.276 -3.589 177 HA GLU 22 HA GLU 22 -5.283 4.087 -4.145 178 HB2 GLU 22 2HB GLU 22 -6.873 4.144 -5.989 179 HB3 GLU 22 1HB GLU 22 -5.633 2.965 -6.387 180 HG2 GLU 22 2HG GLU 22 -7.140 1.141 -5.778 181 HG3 GLU 22 1HG GLU 22 -8.327 2.335 -5.241 182 H GLN 23 H GLN 23 -7.021 5.304 -3.272 183 HA GLN 23 HA GLN 23 -8.791 3.665 -1.665 184 HB2 GLN 23 2HB GLN 23 -9.656 5.702 -0.634 185 HB3 GLN 23 1HB GLN 23 -7.911 5.698 -0.588 186 HG2 GLN 23 2HG GLN 23 -7.824 7.211 -2.420 187 HG3 GLN 23 1HG GLN 23 -9.578 7.221 -2.546 188 HE21 GLN 23 1HE2 GLN 23 -6.857 8.170 -0.606 189 HE22 GLN 23 2HE2 GLN 23 -7.692 9.301 0.377 190 H ASP 24 H ASP 24 -11.009 3.952 -1.663 191 HA ASP 24 HA ASP 24 -12.139 3.355 -4.110 192 HB2 ASP 24 2HB ASP 24 -13.539 4.452 -1.673 193 HB3 ASP 24 1HB ASP 24 -14.292 3.713 -3.071 194 H ASN 25 H ASN 25 -11.610 6.443 -2.679 195 HA ASN 25 HA ASN 25 -13.447 7.834 -4.420 196 HB2 ASN 25 2HB ASN 25 -11.355 8.921 -2.528 197 HB3 ASN 25 1HB ASN 25 -12.492 9.911 -3.427 198 HD21 ASN 25 1HD2 ASN 25 -14.683 7.931 -3.035 199 HD22 ASN 25 2HD2 ASN 25 -15.162 8.115 -1.398 200 H GLY 26 H GLY 26 -10.647 6.377 -5.192 201 HA2 GLY 26 2HA GLY 26 -9.496 6.614 -7.190 202 HA3 GLY 26 1HA GLY 26 -10.298 8.163 -7.452 203 H GLY 27 H GLY 27 -8.272 6.842 -4.910 204 HA2 GLY 27 2HA GLY 27 -6.897 9.366 -4.613 205 HA3 GLY 27 1HA GLY 27 -6.563 7.902 -3.707 206 H LYS 28 H LYS 28 -4.363 8.682 -4.047 207 HA LYS 28 HA LYS 28 -3.160 8.718 -6.615 208 HB2 LYS 28 2HB LYS 28 -1.850 8.239 -3.964 209 HB3 LYS 28 1HB LYS 28 -1.060 8.698 -5.445 210 HG2 LYS 28 2HG LYS 28 -2.216 10.846 -5.457 211 HG3 LYS 28 1HG LYS 28 -3.027 10.422 -3.943 212 HD2 LYS 28 2HD LYS 28 -0.841 10.188 -2.867 213 HD3 LYS 28 1HD LYS 28 -0.077 10.643 -4.394 214 HE2 LYS 28 2HE LYS 28 -1.951 12.410 -2.797 215 HE3 LYS 28 1HE LYS 28 -0.196 12.533 -2.774 216 HZ1 LYS 28 3HZ LYS 28 -1.139 14.158 -4.246 217 HZ2 LYS 28 1HZ LYS 28 -1.960 13.008 -5.133 218 HZ3 LYS 28 2HZ LYS 28 -0.265 13.053 -5.159 219 H ASP 29 H ASP 29 -1.977 7.160 -7.606 220 HA ASP 29 HA ASP 29 -2.535 4.432 -6.779 221 HB2 ASP 29 2HB ASP 29 -1.232 5.450 -9.324 222 HB3 ASP 29 1HB ASP 29 -1.550 3.759 -8.976 223 H VAL 30 H VAL 30 -1.312 4.261 -5.087 224 HA VAL 30 HA VAL 30 1.558 4.667 -5.345 225 HB VAL 30 HB VAL 30 0.607 5.858 -3.480 226 HG11 VAL 30 1HG1 VAL 30 -1.467 4.551 -3.217 227 HG12 VAL 30 2HG1 VAL 30 -0.581 4.890 -1.728 228 HG13 VAL 30 3HG1 VAL 30 -0.489 3.269 -2.443 229 HG21 VAL 30 3HG2 VAL 30 1.967 3.376 -2.521 230 HG22 VAL 30 1HG2 VAL 30 1.699 4.822 -1.556 231 HG23 VAL 30 2HG2 VAL 30 2.727 4.896 -2.991 232 H PHE 31 H PHE 31 3.027 2.963 -5.096 233 HA PHE 31 HA PHE 31 1.721 0.398 -5.231 234 HB2 PHE 31 2HB PHE 31 3.775 -0.592 -6.015 235 HB3 PHE 31 1HB PHE 31 3.504 0.882 -6.918 236 HD1 PHE 31 1HD PHE 31 5.599 -0.816 -4.438 237 HD2 PHE 31 2HD PHE 31 5.073 2.725 -6.732 238 HE1 PHE 31 1HE PHE 31 7.912 -0.160 -3.936 239 HE2 PHE 31 2HE PHE 31 7.407 3.379 -6.232 240 HZ PHE 31 HZ PHE 31 8.815 1.939 -4.837 241 H VAL 32 H VAL 32 2.149 -1.281 -3.916 242 HA VAL 32 HA VAL 32 3.302 -0.512 -1.338 243 HB VAL 32 HB VAL 32 0.870 -0.831 -1.188 244 HG11 VAL 32 1HG1 VAL 32 1.363 -3.631 -2.162 245 HG12 VAL 32 2HG1 VAL 32 0.494 -2.361 -3.020 246 HG13 VAL 32 3HG1 VAL 32 -0.167 -3.027 -1.528 247 HG21 VAL 32 3HG2 VAL 32 0.810 -2.527 0.567 248 HG22 VAL 32 1HG2 VAL 32 2.147 -1.397 0.784 249 HG23 VAL 32 2HG2 VAL 32 2.444 -3.023 0.147 250 H HIS 33 H HIS 33 4.815 -1.853 -0.503 251 HA HIS 33 HA HIS 33 5.346 -4.344 -1.962 252 HB2 HIS 33 2HB HIS 33 6.988 -2.602 -2.619 253 HB3 HIS 33 1HB HIS 33 7.389 -2.340 -0.933 254 HD1 HIS 33 1HD HIS 33 7.078 -5.589 -2.871 255 HD2 HIS 33 2HD HIS 33 9.777 -3.454 -0.598 256 HE1 HIS 33 1HE HIS 33 8.942 -7.090 -2.554 257 HE2 HIS 33 2HE HIS 33 10.751 -5.601 -1.650 258 H LYS 34 H LYS 34 6.518 -5.929 -0.665 259 HA LYS 34 HA LYS 34 5.121 -6.279 1.720 260 HB2 LYS 34 2HB LYS 34 5.721 -8.180 0.375 261 HB3 LYS 34 1HB LYS 34 7.432 -7.848 0.595 262 HG2 LYS 34 2HG LYS 34 7.328 -8.479 2.903 263 HG3 LYS 34 1HG LYS 34 5.568 -8.532 2.849 264 HD2 LYS 34 2HD LYS 34 5.550 -10.322 1.443 265 HD3 LYS 34 1HD LYS 34 7.315 -10.289 1.180 266 HE2 LYS 34 2HE LYS 34 5.876 -10.854 3.793 267 HE3 LYS 34 1HE LYS 34 6.594 -12.085 2.762 268 HZ1 LYS 34 3HZ LYS 34 8.749 -11.043 3.110 269 HZ2 LYS 34 1HZ LYS 34 8.077 -11.518 4.577 270 HZ3 LYS 34 2HZ LYS 34 8.104 -9.894 4.129 271 H SER 35 H SER 35 8.029 -4.667 1.156 272 HA SER 35 HA SER 35 9.166 -4.794 3.728 273 HB2 SER 35 2HB SER 35 9.091 -2.411 1.870 274 HB3 SER 35 1HB SER 35 10.253 -2.702 3.170 275 HG SER 35 HG SER 35 10.510 -4.816 1.864 276 H ALA 36 H ALA 36 6.320 -3.097 2.580 277 HA ALA 36 HA ALA 36 6.025 -1.517 4.935 278 HB1 ALA 36 1HB ALA 36 3.957 -2.357 2.942 279 HB2 ALA 36 2HB ALA 36 5.008 -0.938 2.795 280 HB3 ALA 36 3HB ALA 36 3.845 -1.052 4.134 281 H VAL 37 H VAL 37 4.916 -4.647 3.807 282 HA VAL 37 HA VAL 37 3.301 -5.289 6.043 283 HB VAL 37 HB VAL 37 4.899 -7.206 4.246 284 HG11 VAL 37 1HG1 VAL 37 2.708 -7.846 6.237 285 HG12 VAL 37 2HG1 VAL 37 4.393 -8.128 6.510 286 HG13 VAL 37 3HG1 VAL 37 3.565 -8.986 5.197 287 HG21 VAL 37 3HG2 VAL 37 3.143 -5.927 3.067 288 HG22 VAL 37 1HG2 VAL 37 1.969 -6.461 4.270 289 HG23 VAL 37 2HG2 VAL 37 2.730 -7.639 3.205 290 H ASP 38 H ASP 38 6.660 -5.805 5.244 291 HA ASP 38 HA ASP 38 7.573 -7.092 7.525 292 HB2 ASP 38 2HB ASP 38 8.855 -6.767 5.431 293 HB3 ASP 38 1HB ASP 38 9.004 -5.060 5.819 294 H ALA 39 H ALA 39 6.881 -3.701 6.972 295 HA ALA 39 HA ALA 39 8.194 -2.735 9.297 296 HB1 ALA 39 1HB ALA 39 7.684 -1.323 7.373 297 HB2 ALA 39 2HB ALA 39 7.059 -0.645 8.877 298 HB3 ALA 39 3HB ALA 39 5.964 -1.438 7.745 299 H ALA 40 H ALA 40 5.034 -4.166 8.852 300 HA ALA 40 HA ALA 40 4.424 -3.504 11.671 301 HB1 ALA 40 1HB ALA 40 2.100 -3.108 11.144 302 HB2 ALA 40 2HB ALA 40 2.405 -3.465 9.444 303 HB3 ALA 40 3HB ALA 40 3.133 -2.042 10.188 304 H GLY 41 H GLY 41 4.844 -5.973 9.511 305 HA2 GLY 41 2HA GLY 41 4.384 -8.155 9.445 306 HA3 GLY 41 1HA GLY 41 4.015 -8.118 11.146 307 H LEU 42 H LEU 42 2.615 -6.710 8.267 308 HA LEU 42 HA LEU 42 -0.088 -6.977 9.047 309 HB2 LEU 42 2HB LEU 42 1.121 -5.418 7.336 310 HB3 LEU 42 1HB LEU 42 0.962 -6.758 6.232 311 HG LEU 42 HG LEU 42 -0.692 -5.053 5.866 312 HD11 LEU 42 1HD1 LEU 42 -1.914 -7.586 6.921 313 HD12 LEU 42 2HD1 LEU 42 -1.341 -7.299 5.280 314 HD13 LEU 42 3HD1 LEU 42 -2.737 -6.416 5.892 315 HD21 LEU 42 3HD2 LEU 42 -2.453 -4.576 7.482 316 HD22 LEU 42 1HD2 LEU 42 -0.840 -4.186 8.084 317 HD23 LEU 42 2HD2 LEU 42 -1.653 -5.643 8.648 318 H HIS 43 H HIS 43 -1.533 -8.671 8.537 319 HA HIS 43 HA HIS 43 -0.299 -11.186 8.238 320 HB2 HIS 43 2HB HIS 43 -3.235 -10.503 8.351 321 HB3 HIS 43 1HB HIS 43 -2.645 -12.148 8.194 322 HD1 HIS 43 1HD HIS 43 -2.414 -13.341 10.369 323 HD2 HIS 43 2HD HIS 43 -2.028 -9.232 10.826 324 HE1 HIS 43 1HE HIS 43 -2.204 -12.952 12.819 325 HE2 HIS 43 2HE HIS 43 -2.263 -10.454 13.062 326 H SER 44 H SER 44 -2.474 -9.510 5.921 327 HA SER 44 HA SER 44 -1.064 -10.730 3.772 328 HB2 SER 44 2HB SER 44 -2.374 -12.640 4.510 329 HB3 SER 44 1HB SER 44 -3.864 -11.700 4.374 330 HG SER 44 HG SER 44 -3.826 -12.667 2.523 331 H LEU 45 H LEU 45 -1.778 -9.954 1.779 332 HA LEU 45 HA LEU 45 -3.751 -7.779 1.907 333 HB2 LEU 45 2HB LEU 45 -1.298 -7.776 0.153 334 HB3 LEU 45 1HB LEU 45 -2.521 -6.566 0.242 335 HG LEU 45 HG LEU 45 -0.685 -7.198 2.547 336 HD11 LEU 45 1HD1 LEU 45 -0.635 -4.934 0.556 337 HD12 LEU 45 2HD1 LEU 45 0.529 -6.252 0.654 338 HD13 LEU 45 3HD1 LEU 45 0.406 -5.089 1.971 339 HD21 LEU 45 3HD2 LEU 45 -2.649 -4.947 2.084 340 HD22 LEU 45 1HD2 LEU 45 -1.558 -5.097 3.463 341 HD23 LEU 45 2HD2 LEU 45 -2.849 -6.277 3.224 342 H GLU 46 H GLU 46 -5.070 -7.601 0.215 343 HA GLU 46 HA GLU 46 -4.845 -9.027 -2.180 344 HB2 GLU 46 2HB GLU 46 -6.888 -10.448 -1.829 345 HB3 GLU 46 1HB GLU 46 -5.510 -10.965 -0.879 346 HG2 GLU 46 2HG GLU 46 -6.461 -9.873 1.091 347 HG3 GLU 46 1HG GLU 46 -7.842 -9.353 0.127 348 H GLU 47 H GLU 47 -6.884 -8.613 -3.448 349 HA GLU 47 HA GLU 47 -7.390 -5.847 -3.127 350 HB2 GLU 47 2HB GLU 47 -8.796 -6.009 -5.130 351 HB3 GLU 47 1HB GLU 47 -7.224 -6.742 -5.369 352 HG2 GLU 47 2HG GLU 47 -9.757 -8.255 -4.780 353 HG3 GLU 47 1HG GLU 47 -9.103 -7.956 -6.387 354 H GLY 48 H GLY 48 -9.367 -4.858 -3.001 355 HA2 GLY 48 2HA GLY 48 -11.598 -4.628 -2.241 356 HA3 GLY 48 1HA GLY 48 -11.600 -6.336 -1.846 357 H GLN 49 H GLN 49 -8.835 -5.332 -0.494 358 HA GLN 49 HA GLN 49 -10.046 -5.112 2.113 359 HB2 GLN 49 2HB GLN 49 -7.268 -5.631 1.142 360 HB3 GLN 49 1HB GLN 49 -7.639 -5.351 2.833 361 HG2 GLN 49 2HG GLN 49 -9.179 -7.307 1.337 362 HG3 GLN 49 1HG GLN 49 -7.540 -7.801 1.839 363 HE21 GLN 49 1HE2 GLN 49 -9.795 -5.717 3.671 364 HE22 GLN 49 2HE2 GLN 49 -10.043 -6.812 4.940 365 H ASP 50 H ASP 50 -10.375 -3.192 2.938 366 HA ASP 50 HA ASP 50 -8.963 -0.865 2.014 367 HB2 ASP 50 2HB ASP 50 -10.788 -1.199 4.380 368 HB3 ASP 50 1HB ASP 50 -9.919 0.297 4.084 369 H VAL 51 H VAL 51 -7.290 0.207 2.858 370 HA VAL 51 HA VAL 51 -6.044 -0.987 5.167 371 HB VAL 51 HB VAL 51 -5.257 -2.146 3.165 372 HG11 VAL 51 1HG1 VAL 51 -5.329 -0.418 1.491 373 HG12 VAL 51 2HG1 VAL 51 -3.704 -1.067 1.580 374 HG13 VAL 51 3HG1 VAL 51 -4.063 0.490 2.312 375 HG21 VAL 51 3HG2 VAL 51 -3.159 -0.569 4.624 376 HG22 VAL 51 1HG2 VAL 51 -2.848 -2.052 3.699 377 HG23 VAL 51 2HG2 VAL 51 -3.921 -2.071 5.124 378 H ILE 52 H ILE 52 -4.478 0.276 6.061 379 HA ILE 52 HA ILE 52 -4.672 3.172 5.543 380 HB ILE 52 HB ILE 52 -4.046 1.645 8.072 381 HG12 ILE 52 2HG1 ILE 52 -6.585 3.153 7.415 382 HG13 ILE 52 1HG1 ILE 52 -6.405 1.412 7.264 383 HG21 ILE 52 1HG2 ILE 52 -4.291 3.842 9.195 384 HG22 ILE 52 2HG2 ILE 52 -4.513 4.601 7.621 385 HG23 ILE 52 3HG2 ILE 52 -2.976 3.842 8.024 386 HD11 ILE 52 3HD1 ILE 52 -6.028 1.217 9.627 387 HD12 ILE 52 1HD1 ILE 52 -7.544 2.046 9.309 388 HD13 ILE 52 2HD1 ILE 52 -6.122 2.970 9.826 389 H PHE 53 H PHE 53 -2.666 4.133 5.151 390 HA PHE 53 HA PHE 53 -0.275 2.769 6.086 391 HB2 PHE 53 2HB PHE 53 0.781 2.863 3.865 392 HB3 PHE 53 1HB PHE 53 -0.478 1.661 3.894 393 HD1 PHE 53 1HD PHE 53 -2.736 2.329 2.852 394 HD2 PHE 53 2HD PHE 53 0.823 4.617 2.340 395 HE1 PHE 53 1HE PHE 53 -3.696 3.381 0.897 396 HE2 PHE 53 2HE PHE 53 -0.144 5.668 0.366 397 HZ PHE 53 HZ PHE 53 -2.394 5.056 -0.373 398 H ASP 54 H ASP 54 1.696 4.074 5.262 399 HA ASP 54 HA ASP 54 0.980 6.892 5.150 400 HB2 ASP 54 2HB ASP 54 3.456 5.641 6.414 401 HB3 ASP 54 1HB ASP 54 3.187 7.368 6.221 402 H LEU 55 H LEU 55 2.587 8.084 3.881 403 HA LEU 55 HA LEU 55 3.743 6.377 1.787 404 HB2 LEU 55 2HB LEU 55 1.567 6.933 0.994 405 HB3 LEU 55 1HB LEU 55 1.793 8.583 1.521 406 HG LEU 55 HG LEU 55 3.161 9.100 -0.367 407 HD11 LEU 55 1HD1 LEU 55 4.405 6.997 -0.429 408 HD12 LEU 55 2HD1 LEU 55 3.786 7.467 -2.004 409 HD13 LEU 55 3HD1 LEU 55 2.983 6.194 -1.083 410 HD21 LEU 55 3HD2 LEU 55 1.636 8.648 -2.194 411 HD22 LEU 55 1HD2 LEU 55 0.743 9.076 -0.737 412 HD23 LEU 55 2HD2 LEU 55 0.837 7.388 -1.262 413 H GLU 56 H GLU 56 5.546 7.051 0.974 414 HA GLU 56 HA GLU 56 6.403 9.807 1.430 415 HB2 GLU 56 2HB GLU 56 7.675 8.366 3.002 416 HB3 GLU 56 1HB GLU 56 8.183 7.347 1.663 417 HG2 GLU 56 2HG GLU 56 9.982 8.855 2.358 418 HG3 GLU 56 1HG GLU 56 9.462 9.198 0.712 419 H GLU 57 H GLU 57 7.798 10.584 -0.177 420 HA GLU 57 HA GLU 57 6.978 9.522 -2.744 421 HB2 GLU 57 2HB GLU 57 6.630 11.880 -2.180 422 HB3 GLU 57 1HB GLU 57 8.357 12.082 -2.000 423 HG2 GLU 57 2HG GLU 57 8.668 11.581 -4.356 424 HG3 GLU 57 1HG GLU 57 6.923 11.375 -4.537 425 H LYS 58 H LYS 58 8.242 8.294 -3.868 426 HA LYS 58 HA LYS 58 11.088 8.092 -3.300 427 HB2 LYS 58 2HB LYS 58 9.861 5.998 -3.481 428 HB3 LYS 58 1HB LYS 58 9.265 6.430 -5.072 429 HG2 LYS 58 2HG LYS 58 11.570 6.288 -5.929 430 HG3 LYS 58 1HG LYS 58 12.133 5.834 -4.323 431 HD2 LYS 58 2HD LYS 58 10.677 3.845 -4.389 432 HD3 LYS 58 1HD LYS 58 10.142 4.305 -6.005 433 HE2 LYS 58 2HE LYS 58 12.426 4.090 -6.832 434 HE3 LYS 58 1HE LYS 58 12.982 3.658 -5.217 435 HZ1 LYS 58 3HZ LYS 58 11.048 2.096 -6.848 436 HZ2 LYS 58 1HZ LYS 58 11.617 1.663 -5.316 437 HZ3 LYS 58 2HZ LYS 58 12.668 1.713 -6.632 438 H GLN 59 H GLN 59 11.359 10.251 -4.071 439 HA GLN 59 HA GLN 59 12.158 11.778 -5.511 440 HB2 GLN 59 2HB GLN 59 12.682 9.381 -7.273 441 HB3 GLN 59 1HB GLN 59 13.333 10.993 -7.536 442 HG2 GLN 59 2HG GLN 59 14.514 10.855 -5.399 443 HG3 GLN 59 1HG GLN 59 13.865 9.238 -5.151 444 HE21 GLN 59 1HE2 GLN 59 14.937 10.419 -8.285 445 HE22 GLN 59 2HE2 GLN 59 16.320 9.403 -8.380 446 H GLY 60 H GLY 60 9.296 10.547 -5.935 447 HA2 GLY 60 2HA GLY 60 7.900 12.277 -7.284 448 HA3 GLY 60 1HA GLY 60 8.766 11.565 -8.641 449 H LYS 61 H LYS 61 8.794 8.953 -7.220 450 HA LYS 61 HA LYS 61 6.215 7.969 -8.106 451 HB2 LYS 61 2HB LYS 61 8.388 6.851 -8.699 452 HB3 LYS 61 1HB LYS 61 8.658 6.546 -7.002 453 HG2 LYS 61 2HG LYS 61 7.875 4.529 -8.083 454 HG3 LYS 61 1HG LYS 61 6.659 5.122 -6.949 455 HD2 LYS 61 2HD LYS 61 5.594 4.391 -9.017 456 HD3 LYS 61 1HD LYS 61 5.439 6.136 -8.800 457 HE2 LYS 61 2HE LYS 61 7.236 6.533 -10.357 458 HE3 LYS 61 1HE LYS 61 7.512 4.807 -10.544 459 HZ1 LYS 61 3HZ LYS 61 6.223 5.723 -12.366 460 HZ2 LYS 61 1HZ LYS 61 5.053 6.275 -11.298 461 HZ3 LYS 61 2HZ LYS 61 5.281 4.622 -11.508 462 H ALA 62 H ALA 62 5.026 6.422 -6.547 463 HA ALA 62 HA ALA 62 5.287 7.432 -3.800 464 HB1 ALA 62 1HB ALA 62 3.334 8.341 -4.941 465 HB2 ALA 62 2HB ALA 62 2.823 7.243 -3.660 466 HB3 ALA 62 3HB ALA 62 2.794 6.714 -5.334 467 H TYR 63 H TYR 63 5.632 5.870 -2.252 468 HA TYR 63 HA TYR 63 4.666 3.166 -2.813 469 HB2 TYR 63 2HB TYR 63 6.584 2.196 -1.677 470 HB3 TYR 63 1HB TYR 63 7.042 3.088 -3.111 471 HD1 TYR 63 2HD TYR 63 8.107 5.412 -2.739 472 HD2 TYR 63 1HD TYR 63 7.475 2.658 0.419 473 HE1 TYR 63 2HE TYR 63 9.733 6.643 -1.340 474 HE2 TYR 63 1HE TYR 63 9.078 3.870 1.819 475 HH TYR 63 HH TYR 63 10.931 5.331 1.566 476 H ALA 64 H ALA 64 3.657 2.223 -1.328 477 HA ALA 64 HA ALA 64 2.822 3.665 1.130 478 HB1 ALA 64 1HB ALA 64 1.173 1.904 1.339 479 HB2 ALA 64 2HB ALA 64 1.897 1.012 0.003 480 HB3 ALA 64 3HB ALA 64 1.111 2.577 -0.277 481 H VAL 65 H VAL 65 3.271 3.239 3.079 482 HA VAL 65 HA VAL 65 4.725 0.818 3.782 483 HB VAL 65 HB VAL 65 6.318 2.083 5.204 484 HG11 VAL 65 1HG1 VAL 65 7.060 1.320 3.031 485 HG12 VAL 65 2HG1 VAL 65 7.813 2.863 3.434 486 HG13 VAL 65 3HG1 VAL 65 6.467 2.811 2.295 487 HG21 VAL 65 3HG2 VAL 65 5.254 4.525 3.781 488 HG22 VAL 65 1HG2 VAL 65 6.668 4.493 4.836 489 HG23 VAL 65 2HG2 VAL 65 5.068 4.150 5.495 490 H ASN 66 H ASN 66 4.922 0.667 6.205 491 HA ASN 66 HA ASN 66 3.889 0.398 8.216 492 HB2 ASN 66 2HB ASN 66 4.378 2.954 8.222 493 HB3 ASN 66 1HB ASN 66 2.726 3.119 7.754 494 HD21 ASN 66 1HD2 ASN 66 2.205 4.234 9.566 495 HD22 ASN 66 2HD2 ASN 66 1.934 3.481 11.102 496 H LEU 67 H LEU 67 2.518 -1.116 6.797 497 HA LEU 67 HA LEU 67 -0.089 -0.104 6.189 498 HB2 LEU 67 2HB LEU 67 0.866 -2.928 6.060 499 HB3 LEU 67 1HB LEU 67 -0.654 -2.325 5.449 500 HG LEU 67 HG LEU 67 2.101 -1.852 4.360 501 HD11 LEU 67 1HD1 LEU 67 0.931 -3.882 3.792 502 HD12 LEU 67 2HD1 LEU 67 1.160 -2.753 2.432 503 HD13 LEU 67 3HD1 LEU 67 -0.416 -2.851 3.246 504 HD21 LEU 67 3HD2 LEU 67 -0.455 -0.466 3.565 505 HD22 LEU 67 1HD2 LEU 67 1.084 -0.394 2.699 506 HD23 LEU 67 2HD2 LEU 67 0.961 0.289 4.316 507 H ARG 68 H ARG 68 -1.892 -0.447 7.079 508 HA ARG 68 HA ARG 68 -2.167 -2.261 9.350 509 HB2 ARG 68 2HB ARG 68 -1.755 -0.052 10.285 510 HB3 ARG 68 1HB ARG 68 -3.008 0.679 9.287 511 HG2 ARG 68 2HG ARG 68 -3.802 0.437 11.502 512 HG3 ARG 68 1HG ARG 68 -4.606 -0.812 10.537 513 HD2 ARG 68 2HD ARG 68 -3.796 -1.715 12.641 514 HD3 ARG 68 1HD ARG 68 -2.968 -2.423 11.244 515 HE ARG 68 HE ARG 68 -1.694 -0.165 12.502 516 HH11 ARG 68 1HH1 ARG 68 -1.840 -3.666 12.176 517 HH12 ARG 68 2HH1 ARG 68 -0.296 -3.961 12.816 518 HH21 ARG 68 1HH2 ARG 68 0.440 -0.517 13.340 519 HH22 ARG 68 2HH2 ARG 68 1.066 -2.093 13.518 520 H ILE 69 H ILE 69 -4.078 -3.403 8.993 521 HA ILE 69 HA ILE 69 -5.631 -2.400 6.793 522 HB ILE 69 HB ILE 69 -6.923 -4.606 6.980 523 HG12 ILE 69 2HG1 ILE 69 -5.567 -6.534 7.865 524 HG13 ILE 69 1HG1 ILE 69 -4.488 -5.368 8.610 525 HG21 ILE 69 1HG2 ILE 69 -5.297 -5.815 5.644 526 HG22 ILE 69 2HG2 ILE 69 -4.077 -4.606 6.068 527 HG23 ILE 69 3HG2 ILE 69 -5.511 -4.137 5.147 528 HD11 ILE 69 3HD1 ILE 69 -7.400 -5.728 9.216 529 HD12 ILE 69 1HD1 ILE 69 -6.321 -4.566 9.985 530 HD13 ILE 69 2HD1 ILE 69 -6.055 -6.300 10.207 531 H LYS 70 H LYS 70 -7.786 -2.102 6.754 532 HA LYS 70 HA LYS 70 -8.909 -0.789 8.918 533 HB2 LYS 70 2HB LYS 70 -9.833 -0.463 6.629 534 HB3 LYS 70 1HB LYS 70 -10.272 -2.151 6.601 535 HG2 LYS 70 2HG LYS 70 -11.853 -1.836 8.304 536 HG3 LYS 70 1HG LYS 70 -11.366 -0.148 8.489 537 HD2 LYS 70 2HD LYS 70 -12.188 -1.212 5.889 538 HD3 LYS 70 1HD LYS 70 -13.475 -0.709 7.009 539 HE2 LYS 70 2HE LYS 70 -12.296 1.528 7.050 540 HE3 LYS 70 1HE LYS 70 -11.233 0.920 5.785 541 HZ1 LYS 70 3HZ LYS 70 -14.184 1.184 5.587 542 HZ2 LYS 70 1HZ LYS 70 -13.192 0.597 4.364 543 HZ3 LYS 70 2HZ LYS 70 -13.054 2.201 4.870 Start of MODEL 18 1 H1 MET 1 1HT MET 1 4.587 14.828 3.647 2 H2 MET 1 2HT MET 1 6.160 14.487 4.123 3 H3 MET 1 3HT MET 1 4.928 14.644 5.282 4 HA MET 1 HA MET 1 5.069 12.571 3.180 5 HB2 MET 1 2HB MET 1 5.449 12.310 6.183 6 HB3 MET 1 1HB MET 1 5.347 10.972 5.061 7 HG2 MET 1 2HG MET 1 7.639 11.303 5.649 8 HG3 MET 1 1HG MET 1 7.423 11.784 3.971 9 HE1 MET 1 2HE MET 1 8.012 12.953 7.658 10 HE2 MET 1 3HE MET 1 6.501 13.778 7.285 11 HE3 MET 1 1HE MET 1 7.981 14.709 7.519 12 H ALA 2 H ALA 2 3.154 11.785 2.680 13 HA ALA 2 HA ALA 2 0.839 12.650 4.091 14 HB1 ALA 2 1HB ALA 2 -0.367 11.261 2.446 15 HB2 ALA 2 2HB ALA 2 1.172 10.618 1.883 16 HB3 ALA 2 3HB ALA 2 0.805 12.328 1.666 17 H THR 3 H THR 3 0.566 11.856 6.086 18 HA THR 3 HA THR 3 1.145 9.064 6.576 19 HB THR 3 HB THR 3 0.906 9.819 8.990 20 HG1 THR 3 1HG THR 3 0.531 11.859 9.377 21 HG21 THR 3 3HG2 THR 3 3.038 11.145 7.296 22 HG22 THR 3 1HG2 THR 3 3.098 9.494 7.912 23 HG23 THR 3 2HG2 THR 3 3.140 10.857 9.030 24 H ASN 4 H ASN 4 -0.282 7.735 7.537 25 HA ASN 4 HA ASN 4 -2.256 6.637 7.716 26 HB2 ASN 4 2HB ASN 4 -2.453 8.162 9.725 27 HB3 ASN 4 1HB ASN 4 -3.367 9.264 8.702 28 HD21 ASN 4 1HD2 ASN 4 -5.474 8.736 8.115 29 HD22 ASN 4 2HD2 ASN 4 -6.362 7.481 8.916 30 H ILE 5 H ILE 5 -2.323 6.460 5.470 31 HA ILE 5 HA ILE 5 -4.253 8.166 4.095 32 HB ILE 5 HB ILE 5 -2.323 6.133 3.012 33 HG12 ILE 5 2HG1 ILE 5 -2.203 9.132 3.166 34 HG13 ILE 5 1HG1 ILE 5 -1.166 7.949 3.957 35 HG21 ILE 5 1HG2 ILE 5 -4.271 6.380 1.594 36 HG22 ILE 5 2HG2 ILE 5 -2.853 7.084 0.814 37 HG23 ILE 5 3HG2 ILE 5 -4.070 8.136 1.553 38 HD11 ILE 5 3HD1 ILE 5 -0.303 7.211 1.898 39 HD12 ILE 5 1HD1 ILE 5 -0.117 8.979 2.008 40 HD13 ILE 5 2HD1 ILE 5 -1.415 8.262 1.024 41 H VAL 6 H VAL 6 -5.965 7.340 3.195 42 HA VAL 6 HA VAL 6 -6.779 4.641 3.947 43 HB VAL 6 HB VAL 6 -8.313 6.962 2.778 44 HG11 VAL 6 1HG1 VAL 6 -9.226 4.910 1.946 45 HG12 VAL 6 2HG1 VAL 6 -10.352 5.617 3.108 46 HG13 VAL 6 3HG1 VAL 6 -9.343 4.229 3.570 47 HG21 VAL 6 3HG2 VAL 6 -8.380 5.706 5.518 48 HG22 VAL 6 1HG2 VAL 6 -9.445 7.001 4.965 49 HG23 VAL 6 2HG2 VAL 6 -7.708 7.283 5.099 50 H GLY 7 H GLY 7 -6.993 3.088 2.435 51 HA2 GLY 7 2HA GLY 7 -8.025 3.651 0.019 52 HA3 GLY 7 1HA GLY 7 -6.362 3.404 -0.359 53 H LYS 8 H LYS 8 -8.098 1.916 -1.496 54 HA LYS 8 HA LYS 8 -8.465 -0.572 -0.049 55 HB2 LYS 8 2HB LYS 8 -10.315 0.317 -1.341 56 HB3 LYS 8 1HB LYS 8 -9.325 0.348 -2.797 57 HG2 LYS 8 2HG LYS 8 -9.102 -2.117 -2.600 58 HG3 LYS 8 1HG LYS 8 -10.249 -2.069 -1.259 59 HD2 LYS 8 2HD LYS 8 -10.779 -1.139 -4.082 60 HD3 LYS 8 1HD LYS 8 -11.357 -2.651 -3.386 61 HE2 LYS 8 2HE LYS 8 -12.665 -1.391 -1.745 62 HE3 LYS 8 1HE LYS 8 -12.058 0.119 -2.411 63 HZ1 LYS 8 3HZ LYS 8 -13.731 -1.861 -3.858 64 HZ2 LYS 8 1HZ LYS 8 -13.107 -0.426 -4.503 65 HZ3 LYS 8 2HZ LYS 8 -14.229 -0.359 -3.260 66 H VAL 9 H VAL 9 -7.262 -2.301 -0.498 67 HA VAL 9 HA VAL 9 -4.912 -2.076 -2.076 68 HB VAL 9 HB VAL 9 -6.225 -4.634 -1.069 69 HG11 VAL 9 1HG1 VAL 9 -4.618 -5.083 -2.833 70 HG12 VAL 9 2HG1 VAL 9 -3.976 -5.636 -1.283 71 HG13 VAL 9 3HG1 VAL 9 -3.393 -4.133 -1.992 72 HG21 VAL 9 3HG2 VAL 9 -4.051 -2.983 0.208 73 HG22 VAL 9 1HG2 VAL 9 -4.633 -4.540 0.794 74 HG23 VAL 9 2HG2 VAL 9 -5.708 -3.143 0.789 75 H LYS 10 H LYS 10 -5.186 -1.695 -4.048 76 HA LYS 10 HA LYS 10 -7.270 -2.465 -5.750 77 HB2 LYS 10 2HB LYS 10 -5.716 -0.589 -6.195 78 HB3 LYS 10 1HB LYS 10 -4.433 -1.741 -6.399 79 HG2 LYS 10 2HG LYS 10 -5.445 -2.628 -8.377 80 HG3 LYS 10 1HG LYS 10 -6.847 -1.600 -8.143 81 HD2 LYS 10 2HD LYS 10 -4.137 -0.436 -8.271 82 HD3 LYS 10 1HD LYS 10 -5.035 -0.736 -9.803 83 HE2 LYS 10 2HE LYS 10 -6.857 0.660 -8.700 84 HE3 LYS 10 1HE LYS 10 -5.678 1.029 -7.446 85 HZ1 LYS 10 3HZ LYS 10 -4.263 2.092 -9.172 86 HZ2 LYS 10 1HZ LYS 10 -5.788 2.734 -9.091 87 HZ3 LYS 10 2HZ LYS 10 -5.421 1.670 -10.325 88 H TRP 11 H TRP 11 -4.056 -3.822 -5.314 89 HA TRP 11 HA TRP 11 -4.882 -6.484 -5.458 90 HB2 TRP 11 2HB TRP 11 -3.692 -7.267 -7.459 91 HB3 TRP 11 1HB TRP 11 -5.012 -6.239 -7.925 92 HD1 TRP 11 HD TRP 11 -4.302 -3.863 -9.071 93 HE1 TRP 11 1HE TRP 11 -2.125 -3.102 -10.199 94 HE3 TRP 11 3HE TRP 11 -1.272 -7.507 -7.387 95 HZ2 TRP 11 2HZ TRP 11 0.557 -3.965 -10.364 96 HZ3 TRP 11 3HZ TRP 11 1.128 -7.506 -8.067 97 HH2 TRP 11 HH TRP 11 2.005 -5.760 -9.531 98 H TYR 12 H TYR 12 -3.040 -7.950 -5.313 99 HA TYR 12 HA TYR 12 -0.443 -6.837 -4.890 100 HB2 TYR 12 2HB TYR 12 -1.449 -6.230 -2.726 101 HB3 TYR 12 1HB TYR 12 -1.940 -7.901 -2.478 102 HD1 TYR 12 2HD TYR 12 1.066 -5.773 -2.938 103 HD2 TYR 12 1HD TYR 12 -0.477 -9.405 -1.369 104 HE1 TYR 12 2HE TYR 12 3.219 -6.195 -1.825 105 HE2 TYR 12 1HE TYR 12 1.675 -9.843 -0.254 106 HH TYR 12 HH TYR 12 4.017 -9.211 -0.423 107 H ASN 13 H ASN 13 0.765 -8.274 -5.789 108 HA ASN 13 HA ASN 13 -0.029 -11.074 -5.627 109 HB2 ASN 13 2HB ASN 13 2.102 -9.727 -7.312 110 HB3 ASN 13 1HB ASN 13 1.856 -11.467 -7.277 111 HD21 ASN 13 1HD2 ASN 13 1.653 -9.659 -9.546 112 HD22 ASN 13 2HD2 ASN 13 0.040 -9.810 -10.116 113 H SER 14 H SER 14 0.596 -12.037 -3.882 114 HA SER 14 HA SER 14 2.500 -11.063 -2.122 115 HB2 SER 14 2HB SER 14 2.194 -13.304 -1.014 116 HB3 SER 14 1HB SER 14 0.722 -12.368 -1.281 117 HG SER 14 HG SER 14 0.670 -14.664 -1.872 118 H THR 15 H THR 15 2.847 -13.392 -4.701 119 HA THR 15 HA THR 15 5.407 -14.269 -3.810 120 HB THR 15 HB THR 15 4.123 -14.574 -6.541 121 HG1 THR 15 1HG THR 15 3.530 -15.630 -4.105 122 HG21 THR 15 3HG2 THR 15 6.532 -15.082 -6.511 123 HG22 THR 15 1HG2 THR 15 5.585 -16.565 -6.699 124 HG23 THR 15 2HG2 THR 15 6.288 -16.160 -5.139 125 H LYS 16 H LYS 16 4.262 -11.552 -5.632 126 HA LYS 16 HA LYS 16 6.975 -11.052 -6.655 127 HB2 LYS 16 2HB LYS 16 4.389 -9.624 -7.321 128 HB3 LYS 16 1HB LYS 16 5.944 -9.274 -8.041 129 HG2 LYS 16 2HG LYS 16 6.004 -11.516 -8.985 130 HG3 LYS 16 1HG LYS 16 4.394 -11.810 -8.325 131 HD2 LYS 16 2HD LYS 16 4.299 -11.159 -10.641 132 HD3 LYS 16 1HD LYS 16 3.506 -9.935 -9.635 133 HE2 LYS 16 2HE LYS 16 5.555 -8.547 -9.809 134 HE3 LYS 16 1HE LYS 16 6.300 -9.793 -10.814 135 HZ1 LYS 16 3HZ LYS 16 3.889 -8.197 -11.482 136 HZ2 LYS 16 1HZ LYS 16 4.542 -9.386 -12.464 137 HZ3 LYS 16 2HZ LYS 16 5.407 -7.980 -12.142 138 H ASN 17 H ASN 17 5.031 -10.317 -4.059 139 HA ASN 17 HA ASN 17 4.969 -8.766 -2.438 140 HB2 ASN 17 2HB ASN 17 7.858 -8.666 -3.255 141 HB3 ASN 17 1HB ASN 17 7.238 -7.823 -1.829 142 HD21 ASN 17 1HD2 ASN 17 9.032 -10.174 -2.311 143 HD22 ASN 17 2HD2 ASN 17 8.417 -11.401 -1.257 144 H PHE 18 H PHE 18 4.225 -7.838 -5.061 145 HA PHE 18 HA PHE 18 4.423 -4.974 -4.535 146 HB2 PHE 18 2HB PHE 18 4.780 -6.262 -7.249 147 HB3 PHE 18 1HB PHE 18 4.356 -4.573 -7.043 148 HD1 PHE 18 1HD PHE 18 6.000 -3.188 -5.564 149 HD2 PHE 18 2HD PHE 18 6.980 -6.868 -7.451 150 HE1 PHE 18 1HE PHE 18 8.382 -2.590 -5.480 151 HE2 PHE 18 2HE PHE 18 9.357 -6.285 -7.363 152 HZ PHE 18 HZ PHE 18 10.068 -4.145 -6.383 153 H GLY 19 H GLY 19 2.660 -3.763 -5.274 154 HA2 GLY 19 2HA GLY 19 0.479 -4.841 -6.668 155 HA3 GLY 19 1HA GLY 19 0.166 -4.845 -4.930 156 H PHE 20 H PHE 20 -1.517 -3.308 -5.810 157 HA PHE 20 HA PHE 20 -0.430 -0.622 -5.499 158 HB2 PHE 20 2HB PHE 20 -2.268 -1.504 -7.689 159 HB3 PHE 20 1HB PHE 20 -2.303 0.158 -7.104 160 HD1 PHE 20 2HD PHE 20 -0.381 1.621 -7.481 161 HD2 PHE 20 1HD PHE 20 -0.432 -2.350 -8.991 162 HE1 PHE 20 2HE PHE 20 1.501 2.168 -8.958 163 HE2 PHE 20 1HE PHE 20 1.455 -1.813 -10.477 164 HZ PHE 20 HZ PHE 20 2.424 0.451 -10.461 165 H ILE 21 H ILE 21 -1.948 0.951 -4.836 166 HA ILE 21 HA ILE 21 -4.337 -0.021 -3.464 167 HB ILE 21 HB ILE 21 -2.143 1.505 -2.006 168 HG12 ILE 21 2HG1 ILE 21 -3.039 -1.359 -1.634 169 HG13 ILE 21 1HG1 ILE 21 -1.516 -0.856 -2.335 170 HG21 ILE 21 1HG2 ILE 21 -4.354 2.120 -1.277 171 HG22 ILE 21 2HG2 ILE 21 -3.529 1.189 -0.025 172 HG23 ILE 21 3HG2 ILE 21 -4.769 0.425 -1.023 173 HD11 ILE 21 3HD1 ILE 21 -2.359 -0.269 0.498 174 HD12 ILE 21 1HD1 ILE 21 -0.816 0.128 -0.237 175 HD13 ILE 21 2HD1 ILE 21 -1.256 -1.561 0.005 176 H GLU 22 H GLU 22 -5.901 1.500 -3.789 177 HA GLU 22 HA GLU 22 -5.163 4.281 -3.495 178 HB2 GLU 22 2HB GLU 22 -6.403 5.094 -5.403 179 HB3 GLU 22 1HB GLU 22 -5.204 3.949 -5.976 180 HG2 GLU 22 2HG GLU 22 -6.916 2.249 -6.242 181 HG3 GLU 22 1HG GLU 22 -8.084 3.329 -5.491 182 H GLN 23 H GLN 23 -6.875 5.512 -2.690 183 HA GLN 23 HA GLN 23 -8.986 3.909 -1.521 184 HB2 GLN 23 2HB GLN 23 -9.781 6.030 -0.500 185 HB3 GLN 23 1HB GLN 23 -8.106 5.678 -0.114 186 HG2 GLN 23 2HG GLN 23 -7.435 7.180 -1.877 187 HG3 GLN 23 1HG GLN 23 -9.117 7.642 -2.136 188 HE21 GLN 23 1HE2 GLN 23 -6.417 7.751 0.018 189 HE22 GLN 23 2HE2 GLN 23 -6.976 9.027 1.015 190 H ASP 24 H ASP 24 -11.077 4.154 -1.761 191 HA ASP 24 HA ASP 24 -12.083 4.257 -4.358 192 HB2 ASP 24 2HB ASP 24 -13.479 4.580 -1.708 193 HB3 ASP 24 1HB ASP 24 -14.276 4.344 -3.251 194 H ASN 25 H ASN 25 -11.274 6.745 -2.240 195 HA ASN 25 HA ASN 25 -13.147 8.671 -3.317 196 HB2 ASN 25 2HB ASN 25 -10.896 9.054 -1.330 197 HB3 ASN 25 1HB ASN 25 -12.116 10.251 -1.741 198 HD21 ASN 25 1HD2 ASN 25 -11.450 9.054 0.806 199 HD22 ASN 25 2HD2 ASN 25 -12.894 8.319 1.404 200 H GLY 26 H GLY 26 -10.470 7.292 -4.589 201 HA2 GLY 26 2HA GLY 26 -9.544 8.015 -6.598 202 HA3 GLY 26 1HA GLY 26 -10.026 9.659 -6.215 203 H GLY 27 H GLY 27 -8.033 7.256 -4.532 204 HA2 GLY 27 2HA GLY 27 -6.102 9.356 -3.938 205 HA3 GLY 27 1HA GLY 27 -5.977 7.703 -3.361 206 H LYS 28 H LYS 28 -3.722 8.986 -4.378 207 HA LYS 28 HA LYS 28 -3.291 8.631 -7.159 208 HB2 LYS 28 2HB LYS 28 -1.281 8.750 -4.916 209 HB3 LYS 28 1HB LYS 28 -0.880 8.787 -6.620 210 HG2 LYS 28 2HG LYS 28 -2.186 10.890 -6.824 211 HG3 LYS 28 1HG LYS 28 -2.430 10.858 -5.078 212 HD2 LYS 28 2HD LYS 28 -0.024 10.884 -4.736 213 HD3 LYS 28 1HD LYS 28 0.214 10.871 -6.485 214 HE2 LYS 28 2HE LYS 28 -0.936 13.024 -6.658 215 HE3 LYS 28 1HE LYS 28 -1.158 13.056 -4.910 216 HZ1 LYS 28 3HZ LYS 28 0.752 14.389 -5.590 217 HZ2 LYS 28 1HZ LYS 28 1.465 13.049 -6.318 218 HZ3 LYS 28 2HZ LYS 28 1.261 13.101 -4.650 219 H ASP 29 H ASP 29 -1.885 7.115 -8.216 220 HA ASP 29 HA ASP 29 -2.258 4.434 -7.264 221 HB2 ASP 29 2HB ASP 29 -0.823 5.459 -9.725 222 HB3 ASP 29 1HB ASP 29 -0.957 3.759 -9.309 223 H VAL 30 H VAL 30 -1.165 4.293 -5.455 224 HA VAL 30 HA VAL 30 1.732 4.535 -5.612 225 HB VAL 30 HB VAL 30 0.804 5.883 -3.808 226 HG11 VAL 30 1HG1 VAL 30 -1.325 4.739 -3.520 227 HG12 VAL 30 2HG1 VAL 30 -0.441 4.996 -2.001 228 HG13 VAL 30 3HG1 VAL 30 -0.464 3.389 -2.740 229 HG21 VAL 30 3HG2 VAL 30 2.036 3.379 -2.720 230 HG22 VAL 30 1HG2 VAL 30 1.846 4.890 -1.843 231 HG23 VAL 30 2HG2 VAL 30 2.876 4.831 -3.269 232 H PHE 31 H PHE 31 3.013 2.737 -5.302 233 HA PHE 31 HA PHE 31 1.495 0.276 -5.401 234 HB2 PHE 31 2HB PHE 31 3.466 -0.841 -6.226 235 HB3 PHE 31 1HB PHE 31 3.228 0.649 -7.132 236 HD1 PHE 31 1HD PHE 31 5.338 -1.151 -4.743 237 HD2 PHE 31 2HD PHE 31 4.880 2.423 -7.005 238 HE1 PHE 31 1HE PHE 31 7.694 -0.603 -4.330 239 HE2 PHE 31 2HE PHE 31 7.245 2.976 -6.588 240 HZ PHE 31 HZ PHE 31 8.650 1.467 -5.256 241 H VAL 32 H VAL 32 1.736 -1.363 -4.037 242 HA VAL 32 HA VAL 32 2.987 -0.657 -1.499 243 HB VAL 32 HB VAL 32 0.588 -1.265 -1.392 244 HG11 VAL 32 1HG1 VAL 32 1.470 -3.924 -2.423 245 HG12 VAL 32 2HG1 VAL 32 0.410 -2.776 -3.234 246 HG13 VAL 32 3HG1 VAL 32 -0.140 -3.582 -1.759 247 HG21 VAL 32 3HG2 VAL 32 0.721 -3.001 0.352 248 HG22 VAL 32 1HG2 VAL 32 1.884 -1.706 0.614 249 HG23 VAL 32 2HG2 VAL 32 2.409 -3.262 -0.047 250 H HIS 33 H HIS 33 4.393 -2.071 -0.519 251 HA HIS 33 HA HIS 33 5.496 -4.270 -2.136 252 HB2 HIS 33 2HB HIS 33 6.765 -2.177 -2.606 253 HB3 HIS 33 1HB HIS 33 7.073 -2.006 -0.883 254 HD1 HIS 33 1HD HIS 33 7.404 -5.078 -3.081 255 HD2 HIS 33 2HD HIS 33 9.626 -2.627 -0.619 256 HE1 HIS 33 1HE HIS 33 9.586 -6.173 -2.869 257 HE2 HIS 33 2HE HIS 33 11.000 -4.622 -1.467 258 H LYS 34 H LYS 34 6.913 -5.689 -0.749 259 HA LYS 34 HA LYS 34 5.404 -6.206 1.583 260 HB2 LYS 34 2HB LYS 34 6.221 -8.078 0.317 261 HB3 LYS 34 1HB LYS 34 7.887 -7.629 0.588 262 HG2 LYS 34 2HG LYS 34 7.645 -8.089 2.969 263 HG3 LYS 34 1HG LYS 34 5.933 -8.428 2.715 264 HD2 LYS 34 2HD LYS 34 6.419 -10.233 1.348 265 HD3 LYS 34 1HD LYS 34 8.167 -9.915 1.428 266 HE2 LYS 34 2HE LYS 34 6.369 -10.624 3.759 267 HE3 LYS 34 1HE LYS 34 7.436 -11.763 2.939 268 HZ1 LYS 34 3HZ LYS 34 9.320 -10.456 3.625 269 HZ2 LYS 34 1HZ LYS 34 8.430 -10.921 4.959 270 HZ3 LYS 34 2HZ LYS 34 8.380 -9.318 4.416 271 H SER 35 H SER 35 8.246 -4.405 1.111 272 HA SER 35 HA SER 35 9.221 -4.234 3.733 273 HB2 SER 35 2HB SER 35 8.837 -1.938 1.800 274 HB3 SER 35 1HB SER 35 9.982 -1.994 3.140 275 HG SER 35 HG SER 35 11.129 -3.531 2.112 276 H ALA 36 H ALA 36 6.173 -3.189 2.480 277 HA ALA 36 HA ALA 36 5.517 -1.528 4.723 278 HB1 ALA 36 1HB ALA 36 3.684 -2.762 2.749 279 HB2 ALA 36 2HB ALA 36 4.576 -1.261 2.423 280 HB3 ALA 36 3HB ALA 36 3.409 -1.342 3.764 281 H VAL 37 H VAL 37 4.982 -4.838 3.652 282 HA VAL 37 HA VAL 37 3.249 -5.600 5.751 283 HB VAL 37 HB VAL 37 5.217 -7.353 4.193 284 HG11 VAL 37 1HG1 VAL 37 2.920 -8.179 5.980 285 HG12 VAL 37 2HG1 VAL 37 4.588 -8.299 6.443 286 HG13 VAL 37 3HG1 VAL 37 3.979 -9.265 5.091 287 HG21 VAL 37 3HG2 VAL 37 3.454 -6.339 2.799 288 HG22 VAL 37 1HG2 VAL 37 2.233 -6.968 3.906 289 HG23 VAL 37 2HG2 VAL 37 3.228 -8.081 2.968 290 H ASP 38 H ASP 38 6.736 -5.899 5.311 291 HA ASP 38 HA ASP 38 7.244 -6.863 7.892 292 HB2 ASP 38 2HB ASP 38 9.057 -5.472 5.928 293 HB3 ASP 38 1HB ASP 38 9.624 -6.005 7.504 294 H ALA 39 H ALA 39 6.562 -3.680 6.822 295 HA ALA 39 HA ALA 39 7.660 -2.279 8.996 296 HB1 ALA 39 1HB ALA 39 6.831 -1.214 6.934 297 HB2 ALA 39 2HB ALA 39 6.144 -0.478 8.385 298 HB3 ALA 39 3HB ALA 39 5.189 -1.598 7.412 299 H ALA 40 H ALA 40 4.670 -4.124 8.694 300 HA ALA 40 HA ALA 40 4.098 -3.500 11.537 301 HB1 ALA 40 1HB ALA 40 1.711 -3.406 11.046 302 HB2 ALA 40 2HB ALA 40 2.059 -3.676 9.339 303 HB3 ALA 40 3HB ALA 40 2.607 -2.196 10.117 304 H GLY 41 H GLY 41 4.876 -5.876 9.498 305 HA2 GLY 41 2HA GLY 41 4.640 -8.089 9.332 306 HA3 GLY 41 1HA GLY 41 4.292 -8.152 11.031 307 H LEU 42 H LEU 42 2.720 -6.885 8.183 308 HA LEU 42 HA LEU 42 0.050 -7.439 8.952 309 HB2 LEU 42 2HB LEU 42 1.148 -5.816 7.196 310 HB3 LEU 42 1HB LEU 42 1.073 -7.192 6.129 311 HG LEU 42 HG LEU 42 -0.702 -5.677 5.697 312 HD11 LEU 42 1HD1 LEU 42 -1.768 -8.160 7.005 313 HD12 LEU 42 2HD1 LEU 42 -1.259 -7.980 5.328 314 HD13 LEU 42 3HD1 LEU 42 -2.677 -7.110 5.916 315 HD21 LEU 42 3HD2 LEU 42 -2.452 -5.160 7.322 316 HD22 LEU 42 1HD2 LEU 42 -0.859 -4.587 7.819 317 HD23 LEU 42 2HD2 LEU 42 -1.540 -6.037 8.556 318 H HIS 43 H HIS 43 -1.176 -9.353 8.489 319 HA HIS 43 HA HIS 43 0.297 -11.736 8.193 320 HB2 HIS 43 2HB HIS 43 -1.855 -11.665 9.394 321 HB3 HIS 43 1HB HIS 43 -2.686 -11.349 7.879 322 HD1 HIS 43 1HD HIS 43 -3.233 -13.370 6.382 323 HD2 HIS 43 2HD HIS 43 -0.830 -14.329 9.647 324 HE1 HIS 43 1HE HIS 43 -3.164 -15.856 6.459 325 HE2 HIS 43 2HE HIS 43 -1.475 -16.386 8.228 326 H SER 44 H SER 44 -1.987 -10.208 5.893 327 HA SER 44 HA SER 44 -0.476 -11.024 3.652 328 HB2 SER 44 2HB SER 44 -2.259 -12.579 2.761 329 HB3 SER 44 1HB SER 44 -1.326 -13.219 4.116 330 HG SER 44 HG SER 44 -3.970 -12.804 3.909 331 H LEU 45 H LEU 45 -1.368 -10.157 1.711 332 HA LEU 45 HA LEU 45 -3.613 -8.317 2.170 333 HB2 LEU 45 2HB LEU 45 -1.386 -8.027 0.141 334 HB3 LEU 45 1HB LEU 45 -2.731 -6.956 0.374 335 HG LEU 45 HG LEU 45 -0.594 -7.416 2.445 336 HD11 LEU 45 1HD1 LEU 45 -1.016 -5.141 0.511 337 HD12 LEU 45 2HD1 LEU 45 0.287 -6.329 0.445 338 HD13 LEU 45 3HD1 LEU 45 0.194 -5.198 1.793 339 HD21 LEU 45 3HD2 LEU 45 -2.836 -5.396 2.252 340 HD22 LEU 45 1HD2 LEU 45 -1.580 -5.432 3.492 341 HD23 LEU 45 2HD2 LEU 45 -2.748 -6.746 3.385 342 H GLU 46 H GLU 46 -5.092 -8.064 0.491 343 HA GLU 46 HA GLU 46 -4.939 -9.673 -1.850 344 HB2 GLU 46 2HB GLU 46 -7.154 -10.721 -1.453 345 HB3 GLU 46 1HB GLU 46 -5.950 -11.298 -0.314 346 HG2 GLU 46 2HG GLU 46 -6.858 -9.857 1.412 347 HG3 GLU 46 1HG GLU 46 -8.004 -9.176 0.259 348 H GLU 47 H GLU 47 -6.875 -9.058 -3.225 349 HA GLU 47 HA GLU 47 -7.154 -6.240 -2.957 350 HB2 GLU 47 2HB GLU 47 -8.484 -6.338 -5.039 351 HB3 GLU 47 1HB GLU 47 -6.916 -7.089 -5.206 352 HG2 GLU 47 2HG GLU 47 -9.434 -8.626 -4.701 353 HG3 GLU 47 1HG GLU 47 -8.849 -8.214 -6.307 354 H GLY 48 H GLY 48 -9.096 -5.152 -2.858 355 HA2 GLY 48 2HA GLY 48 -11.386 -4.924 -2.188 356 HA3 GLY 48 1HA GLY 48 -11.375 -6.611 -1.697 357 H GLN 49 H GLN 49 -8.652 -5.679 -0.371 358 HA GLN 49 HA GLN 49 -9.770 -5.264 2.238 359 HB2 GLN 49 2HB GLN 49 -6.995 -5.464 1.132 360 HB3 GLN 49 1HB GLN 49 -7.279 -4.980 2.791 361 HG2 GLN 49 2HG GLN 49 -8.566 -7.418 1.809 362 HG3 GLN 49 1HG GLN 49 -6.816 -7.509 2.113 363 HE21 GLN 49 1HE2 GLN 49 -9.146 -5.574 3.997 364 HE22 GLN 49 2HE2 GLN 49 -8.985 -6.515 5.422 365 H ASP 50 H ASP 50 -9.967 -3.375 3.282 366 HA ASP 50 HA ASP 50 -9.004 -0.988 1.954 367 HB2 ASP 50 2HB ASP 50 -10.829 -1.446 4.314 368 HB3 ASP 50 1HB ASP 50 -10.188 0.140 3.915 369 H VAL 51 H VAL 51 -7.254 0.030 2.657 370 HA VAL 51 HA VAL 51 -6.093 -0.949 5.125 371 HB VAL 51 HB VAL 51 -5.248 -2.231 3.251 372 HG11 VAL 51 1HG1 VAL 51 -5.371 -0.656 1.408 373 HG12 VAL 51 2HG1 VAL 51 -3.740 -1.242 1.556 374 HG13 VAL 51 3HG1 VAL 51 -4.150 0.360 2.166 375 HG21 VAL 51 3HG2 VAL 51 -3.179 -0.458 4.513 376 HG22 VAL 51 1HG2 VAL 51 -2.840 -2.011 3.733 377 HG23 VAL 51 2HG2 VAL 51 -3.873 -1.927 5.181 378 H ILE 52 H ILE 52 -4.583 0.392 6.009 379 HA ILE 52 HA ILE 52 -4.626 3.185 5.125 380 HB ILE 52 HB ILE 52 -4.316 2.085 7.946 381 HG12 ILE 52 2HG1 ILE 52 -6.679 3.543 6.734 382 HG13 ILE 52 1HG1 ILE 52 -6.608 1.806 6.993 383 HG21 ILE 52 1HG2 ILE 52 -4.521 4.453 8.629 384 HG22 ILE 52 2HG2 ILE 52 -4.607 4.933 6.943 385 HG23 ILE 52 3HG2 ILE 52 -3.134 4.210 7.578 386 HD11 ILE 52 3HD1 ILE 52 -6.434 2.163 9.378 387 HD12 ILE 52 1HD1 ILE 52 -7.881 2.912 8.717 388 HD13 ILE 52 2HD1 ILE 52 -6.486 3.916 9.141 389 H PHE 53 H PHE 53 -2.615 4.034 4.820 390 HA PHE 53 HA PHE 53 -0.291 2.616 5.856 391 HB2 PHE 53 2HB PHE 53 0.803 2.697 3.639 392 HB3 PHE 53 1HB PHE 53 -0.503 1.546 3.647 393 HD1 PHE 53 1HD PHE 53 -2.717 2.293 2.573 394 HD2 PHE 53 2HD PHE 53 0.926 4.446 2.134 395 HE1 PHE 53 1HE PHE 53 -3.611 3.398 0.584 396 HE2 PHE 53 2HE PHE 53 0.032 5.555 0.140 397 HZ PHE 53 HZ PHE 53 -2.235 5.028 -0.641 398 H ASP 54 H ASP 54 1.715 3.925 4.942 399 HA ASP 54 HA ASP 54 1.028 6.769 5.032 400 HB2 ASP 54 2HB ASP 54 3.454 5.441 6.286 401 HB3 ASP 54 1HB ASP 54 3.199 7.177 6.183 402 H LEU 55 H LEU 55 2.227 8.042 3.651 403 HA LEU 55 HA LEU 55 3.675 6.433 1.712 404 HB2 LEU 55 2HB LEU 55 1.546 7.068 0.812 405 HB3 LEU 55 1HB LEU 55 1.887 8.725 1.281 406 HG LEU 55 HG LEU 55 3.438 9.026 -0.497 407 HD11 LEU 55 1HD1 LEU 55 4.550 6.862 -0.268 408 HD12 LEU 55 2HD1 LEU 55 4.165 7.221 -1.940 409 HD13 LEU 55 3HD1 LEU 55 3.179 6.071 -1.032 410 HD21 LEU 55 3HD2 LEU 55 2.084 8.537 -2.458 411 HD22 LEU 55 1HD2 LEU 55 1.069 9.104 -1.136 412 HD23 LEU 55 2HD2 LEU 55 1.120 7.383 -1.543 413 H GLU 56 H GLU 56 5.528 6.806 1.607 414 HA GLU 56 HA GLU 56 6.721 9.441 2.102 415 HB2 GLU 56 2HB GLU 56 7.539 7.519 3.471 416 HB3 GLU 56 1HB GLU 56 7.988 6.689 1.994 417 HG2 GLU 56 2HG GLU 56 9.626 8.397 1.504 418 HG3 GLU 56 1HG GLU 56 9.140 9.298 2.944 419 H GLU 57 H GLU 57 7.440 10.464 0.297 420 HA GLU 57 HA GLU 57 7.027 8.979 -2.142 421 HB2 GLU 57 2HB GLU 57 5.816 11.098 -1.829 422 HB3 GLU 57 1HB GLU 57 7.351 11.950 -1.782 423 HG2 GLU 57 2HG GLU 57 7.808 11.397 -4.053 424 HG3 GLU 57 1HG GLU 57 6.416 10.318 -4.122 425 H LYS 58 H LYS 58 8.461 8.559 -3.567 426 HA LYS 58 HA LYS 58 11.264 8.995 -2.883 427 HB2 LYS 58 2HB LYS 58 10.424 6.674 -3.035 428 HB3 LYS 58 1HB LYS 58 9.899 6.971 -4.671 429 HG2 LYS 58 2HG LYS 58 12.241 7.301 -5.348 430 HG3 LYS 58 1HG LYS 58 12.750 6.970 -3.690 431 HD2 LYS 58 2HD LYS 58 11.741 4.741 -3.824 432 HD3 LYS 58 1HD LYS 58 11.237 5.073 -5.484 433 HE2 LYS 58 2HE LYS 58 13.575 5.358 -6.120 434 HE3 LYS 58 1HE LYS 58 14.072 4.991 -4.469 435 HZ1 LYS 58 3HZ LYS 58 12.635 3.172 -6.307 436 HZ2 LYS 58 1HZ LYS 58 13.062 2.785 -4.724 437 HZ3 LYS 58 2HZ LYS 58 14.260 3.061 -5.886 438 H GLN 59 H GLN 59 11.205 11.142 -3.778 439 HA GLN 59 HA GLN 59 11.468 12.756 -5.275 440 HB2 GLN 59 2HB GLN 59 13.316 11.420 -6.152 441 HB3 GLN 59 1HB GLN 59 12.215 10.491 -7.154 442 HG2 GLN 59 2HG GLN 59 11.753 12.446 -8.515 443 HG3 GLN 59 1HG GLN 59 12.744 13.441 -7.456 444 HE21 GLN 59 1HE2 GLN 59 12.769 10.962 -9.878 445 HE22 GLN 59 2HE2 GLN 59 14.458 11.094 -10.255 446 H GLY 60 H GLY 60 10.170 10.416 -7.588 447 HA2 GLY 60 2HA GLY 60 7.703 12.012 -7.690 448 HA3 GLY 60 1HA GLY 60 8.523 11.533 -9.175 449 H LYS 61 H LYS 61 8.898 9.216 -6.795 450 HA LYS 61 HA LYS 61 6.732 7.649 -7.923 451 HB2 LYS 61 2HB LYS 61 9.019 6.792 -8.435 452 HB3 LYS 61 1HB LYS 61 9.361 6.728 -6.722 453 HG2 LYS 61 2HG LYS 61 8.824 4.512 -7.692 454 HG3 LYS 61 1HG LYS 61 7.734 5.002 -6.390 455 HD2 LYS 61 2HD LYS 61 6.459 4.018 -8.244 456 HD3 LYS 61 1HD LYS 61 6.089 5.727 -8.025 457 HE2 LYS 61 2HE LYS 61 7.625 6.260 -9.875 458 HE3 LYS 61 1HE LYS 61 7.882 4.530 -10.129 459 HZ1 LYS 61 3HZ LYS 61 6.226 5.387 -11.630 460 HZ2 LYS 61 1HZ LYS 61 5.308 5.980 -10.344 461 HZ3 LYS 61 2HZ LYS 61 5.502 4.319 -10.546 462 H ALA 62 H ALA 62 5.705 6.170 -6.373 463 HA ALA 62 HA ALA 62 5.778 7.154 -3.627 464 HB1 ALA 62 1HB ALA 62 4.007 8.338 -4.775 465 HB2 ALA 62 2HB ALA 62 3.291 7.175 -3.659 466 HB3 ALA 62 3HB ALA 62 3.346 6.823 -5.383 467 H TYR 63 H TYR 63 5.832 5.471 -2.207 468 HA TYR 63 HA TYR 63 4.623 2.965 -3.048 469 HB2 TYR 63 2HB TYR 63 6.421 1.669 -2.059 470 HB3 TYR 63 1HB TYR 63 6.976 2.658 -3.389 471 HD1 TYR 63 2HD TYR 63 8.130 4.972 -2.622 472 HD2 TYR 63 1HD TYR 63 7.586 1.590 -0.104 473 HE1 TYR 63 2HE TYR 63 9.917 5.792 -1.128 474 HE2 TYR 63 1HE TYR 63 9.350 2.399 1.382 475 HH TYR 63 HH TYR 63 10.615 5.509 1.295 476 H ALA 64 H ALA 64 3.562 1.968 -1.625 477 HA ALA 64 HA ALA 64 2.740 3.354 0.836 478 HB1 ALA 64 1HB ALA 64 1.021 1.657 0.959 479 HB2 ALA 64 2HB ALA 64 1.773 0.751 -0.351 480 HB3 ALA 64 3HB ALA 64 1.065 2.343 -0.658 481 H VAL 65 H VAL 65 3.298 2.961 2.765 482 HA VAL 65 HA VAL 65 4.453 0.400 3.489 483 HB VAL 65 HB VAL 65 6.239 1.479 4.863 484 HG11 VAL 65 1HG1 VAL 65 6.822 0.519 2.721 485 HG12 VAL 65 2HG1 VAL 65 7.787 1.962 3.034 486 HG13 VAL 65 3HG1 VAL 65 6.428 2.037 1.916 487 HG21 VAL 65 3HG2 VAL 65 5.497 3.974 3.335 488 HG22 VAL 65 1HG2 VAL 65 6.912 3.792 4.373 489 HG23 VAL 65 2HG2 VAL 65 5.293 3.709 5.066 490 H ASN 66 H ASN 66 4.724 0.248 5.874 491 HA ASN 66 HA ASN 66 3.811 0.159 7.952 492 HB2 ASN 66 2HB ASN 66 4.455 2.701 7.784 493 HB3 ASN 66 1HB ASN 66 2.762 2.933 7.514 494 HD21 ASN 66 1HD2 ASN 66 2.480 4.078 9.363 495 HD22 ASN 66 2HD2 ASN 66 2.416 3.369 10.945 496 H LEU 67 H LEU 67 2.303 -1.322 6.654 497 HA LEU 67 HA LEU 67 -0.237 -0.183 6.062 498 HB2 LEU 67 2HB LEU 67 0.558 -3.065 5.966 499 HB3 LEU 67 1HB LEU 67 -0.957 -2.405 5.404 500 HG LEU 67 HG LEU 67 1.771 -2.112 4.189 501 HD11 LEU 67 1HD1 LEU 67 0.507 -4.052 3.674 502 HD12 LEU 67 2HD1 LEU 67 0.642 -2.941 2.283 503 HD13 LEU 67 3HD1 LEU 67 -0.847 -2.985 3.220 504 HD21 LEU 67 3HD2 LEU 67 -0.707 -0.560 3.480 505 HD22 LEU 67 1HD2 LEU 67 0.799 -0.606 2.554 506 HD23 LEU 67 2HD2 LEU 67 0.788 0.103 4.166 507 H ARG 68 H ARG 68 -2.074 -0.401 7.016 508 HA ARG 68 HA ARG 68 -2.420 -1.994 9.419 509 HB2 ARG 68 2HB ARG 68 -2.802 0.890 8.835 510 HB3 ARG 68 1HB ARG 68 -3.783 0.092 10.047 511 HG2 ARG 68 2HG ARG 68 -1.772 -0.306 11.342 512 HG3 ARG 68 1HG ARG 68 -0.768 0.235 9.990 513 HD2 ARG 68 2HD ARG 68 -1.007 1.973 11.689 514 HD3 ARG 68 1HD ARG 68 -1.689 2.438 10.140 515 HE ARG 68 HE ARG 68 -3.463 1.348 12.172 516 HH11 ARG 68 1HH1 ARG 68 -2.346 4.128 10.305 517 HH12 ARG 68 2HH1 ARG 68 -3.694 5.106 10.639 518 HH21 ARG 68 1HH2 ARG 68 -5.337 2.683 12.657 519 HH22 ARG 68 2HH2 ARG 68 -5.453 4.254 12.021 520 H ILE 69 H ILE 69 -4.424 -3.061 9.152 521 HA ILE 69 HA ILE 69 -5.873 -2.411 6.748 522 HB ILE 69 HB ILE 69 -6.710 -4.431 8.865 523 HG12 ILE 69 2HG1 ILE 69 -5.104 -4.824 6.325 524 HG13 ILE 69 1HG1 ILE 69 -4.468 -4.929 7.961 525 HG21 ILE 69 1HG2 ILE 69 -8.040 -5.407 7.085 526 HG22 ILE 69 2HG2 ILE 69 -7.517 -4.131 5.989 527 HG23 ILE 69 3HG2 ILE 69 -8.501 -3.730 7.395 528 HD11 ILE 69 3HD1 ILE 69 -6.536 -6.731 6.744 529 HD12 ILE 69 1HD1 ILE 69 -5.905 -6.840 8.390 530 HD13 ILE 69 2HD1 ILE 69 -4.836 -7.129 7.011 531 H LYS 70 H LYS 70 -7.784 -1.477 6.594 532 HA LYS 70 HA LYS 70 -8.451 0.533 8.466 533 HB2 LYS 70 2HB LYS 70 -8.918 0.430 5.846 534 HB3 LYS 70 1HB LYS 70 -10.345 -0.405 6.378 535 HG2 LYS 70 2HG LYS 70 -11.011 1.446 7.787 536 HG3 LYS 70 1HG LYS 70 -9.588 2.345 7.260 537 HD2 LYS 70 2HD LYS 70 -11.437 3.152 5.950 538 HD3 LYS 70 1HD LYS 70 -10.445 2.123 4.909 539 HE2 LYS 70 2HE LYS 70 -11.998 0.252 5.299 540 HE3 LYS 70 1HE LYS 70 -12.986 1.295 6.311 541 HZ1 LYS 70 3HZ LYS 70 -13.916 1.120 4.155 542 HZ2 LYS 70 1HZ LYS 70 -12.512 1.570 3.392 543 HZ3 LYS 70 2HZ LYS 70 -13.375 2.706 4.326 Start of MODEL 19 1 H1 MET 1 1HT MET 1 5.932 14.093 4.792 2 H2 MET 1 2HT MET 1 5.683 13.315 3.334 3 H3 MET 1 3HT MET 1 7.060 12.952 4.231 4 HA MET 1 HA MET 1 5.494 11.172 4.485 5 HB2 MET 1 2HB MET 1 5.443 12.908 6.955 6 HB3 MET 1 1HB MET 1 5.130 11.194 6.897 7 HG2 MET 1 2HG MET 1 7.459 10.785 6.313 8 HG3 MET 1 1HG MET 1 7.769 12.526 6.330 9 HE1 MET 1 2HE MET 1 9.482 10.480 8.150 10 HE2 MET 1 3HE MET 1 9.556 11.410 9.641 11 HE3 MET 1 1HE MET 1 9.742 12.225 8.085 12 H ALA 2 H ALA 2 3.454 11.105 3.493 13 HA ALA 2 HA ALA 2 1.354 12.743 4.658 14 HB1 ALA 2 1HB ALA 2 -0.052 11.665 2.888 15 HB2 ALA 2 2HB ALA 2 1.358 10.740 2.376 16 HB3 ALA 2 3HB ALA 2 1.350 12.493 2.204 17 H THR 3 H THR 3 0.680 11.928 6.552 18 HA THR 3 HA THR 3 0.995 9.073 6.971 19 HB THR 3 HB THR 3 0.661 9.669 9.403 20 HG1 THR 3 1HG THR 3 -0.251 11.834 8.707 21 HG21 THR 3 3HG2 THR 3 2.985 10.925 7.925 22 HG22 THR 3 1HG2 THR 3 2.880 9.241 8.436 23 HG23 THR 3 2HG2 THR 3 2.963 10.524 9.643 24 H ASN 4 H ASN 4 -0.462 7.727 7.560 25 HA ASN 4 HA ASN 4 -2.416 6.668 7.790 26 HB2 ASN 4 2HB ASN 4 -2.495 8.126 9.887 27 HB3 ASN 4 1HB ASN 4 -3.537 9.205 8.965 28 HD21 ASN 4 1HD2 ASN 4 -3.273 6.192 10.557 29 HD22 ASN 4 2HD2 ASN 4 -4.941 5.761 10.525 30 H ILE 5 H ILE 5 -2.517 6.661 5.553 31 HA ILE 5 HA ILE 5 -4.450 8.446 4.281 32 HB ILE 5 HB ILE 5 -2.489 6.467 3.131 33 HG12 ILE 5 2HG1 ILE 5 -2.398 9.466 3.420 34 HG13 ILE 5 1HG1 ILE 5 -1.375 8.236 4.156 35 HG21 ILE 5 1HG2 ILE 5 -4.405 6.729 1.671 36 HG22 ILE 5 2HG2 ILE 5 -2.970 7.457 0.958 37 HG23 ILE 5 3HG2 ILE 5 -4.222 8.489 1.683 38 HD11 ILE 5 3HD1 ILE 5 -0.444 7.636 2.078 39 HD12 ILE 5 1HD1 ILE 5 -0.285 9.393 2.297 40 HD13 ILE 5 2HD1 ILE 5 -1.538 8.727 1.228 41 H VAL 6 H VAL 6 -6.116 7.620 3.111 42 HA VAL 6 HA VAL 6 -7.064 4.967 3.870 43 HB VAL 6 HB VAL 6 -8.439 7.290 2.535 44 HG11 VAL 6 1HG1 VAL 6 -9.372 5.237 1.745 45 HG12 VAL 6 2HG1 VAL 6 -10.523 6.038 2.815 46 HG13 VAL 6 3HG1 VAL 6 -9.596 4.636 3.392 47 HG21 VAL 6 3HG2 VAL 6 -8.708 6.187 5.329 48 HG22 VAL 6 1HG2 VAL 6 -9.708 7.468 4.637 49 HG23 VAL 6 2HG2 VAL 6 -7.978 7.726 4.868 50 H GLY 7 H GLY 7 -7.093 3.400 2.400 51 HA2 GLY 7 2HA GLY 7 -8.076 3.841 -0.070 52 HA3 GLY 7 1HA GLY 7 -6.406 3.629 -0.413 53 H LYS 8 H LYS 8 -8.159 2.057 -1.478 54 HA LYS 8 HA LYS 8 -8.416 -0.351 0.118 55 HB2 LYS 8 2HB LYS 8 -10.407 0.509 -0.917 56 HB3 LYS 8 1HB LYS 8 -9.625 0.525 -2.489 57 HG2 LYS 8 2HG LYS 8 -9.498 -1.886 -2.494 58 HG3 LYS 8 1HG LYS 8 -10.196 -1.953 -0.874 59 HD2 LYS 8 2HD LYS 8 -11.573 -0.735 -3.262 60 HD3 LYS 8 1HD LYS 8 -11.837 -2.394 -2.701 61 HE2 LYS 8 2HE LYS 8 -12.680 -1.609 -0.597 62 HE3 LYS 8 1HE LYS 8 -12.254 0.053 -0.975 63 HZ1 LYS 8 3HZ LYS 8 -14.250 -1.524 -2.490 64 HZ2 LYS 8 1HZ LYS 8 -13.878 0.119 -2.658 65 HZ3 LYS 8 2HZ LYS 8 -14.605 -0.451 -1.238 66 H VAL 9 H VAL 9 -7.438 -2.186 -0.430 67 HA VAL 9 HA VAL 9 -5.098 -2.102 -1.986 68 HB VAL 9 HB VAL 9 -6.640 -4.553 -1.046 69 HG11 VAL 9 1HG1 VAL 9 -5.077 -5.108 -2.814 70 HG12 VAL 9 2HG1 VAL 9 -4.522 -5.747 -1.266 71 HG13 VAL 9 3HG1 VAL 9 -3.770 -4.298 -1.941 72 HG21 VAL 9 3HG2 VAL 9 -4.339 -3.096 0.252 73 HG22 VAL 9 1HG2 VAL 9 -5.050 -4.608 0.822 74 HG23 VAL 9 2HG2 VAL 9 -6.006 -3.125 0.825 75 H LYS 10 H LYS 10 -5.185 -1.751 -4.016 76 HA LYS 10 HA LYS 10 -7.251 -2.498 -5.796 77 HB2 LYS 10 2HB LYS 10 -5.738 -0.609 -6.239 78 HB3 LYS 10 1HB LYS 10 -4.392 -1.702 -6.275 79 HG2 LYS 10 2HG LYS 10 -5.053 -2.660 -8.297 80 HG3 LYS 10 1HG LYS 10 -6.632 -1.876 -8.243 81 HD2 LYS 10 2HD LYS 10 -4.085 -0.342 -8.244 82 HD3 LYS 10 1HD LYS 10 -4.854 -0.806 -9.791 83 HE2 LYS 10 2HE LYS 10 -6.922 0.355 -8.845 84 HE3 LYS 10 1HE LYS 10 -5.879 0.946 -7.561 85 HZ1 LYS 10 3HZ LYS 10 -4.582 2.199 -9.253 86 HZ2 LYS 10 1HZ LYS 10 -6.239 2.516 -9.293 87 HZ3 LYS 10 2HZ LYS 10 -5.551 1.524 -10.459 88 H TRP 11 H TRP 11 -4.053 -3.810 -5.203 89 HA TRP 11 HA TRP 11 -4.892 -6.469 -5.184 90 HB2 TRP 11 2HB TRP 11 -3.715 -7.418 -7.130 91 HB3 TRP 11 1HB TRP 11 -5.038 -6.420 -7.652 92 HD1 TRP 11 HD TRP 11 -4.345 -4.193 -9.045 93 HE1 TRP 11 1HE TRP 11 -2.161 -3.554 -10.265 94 HE3 TRP 11 3HE TRP 11 -1.285 -7.607 -6.983 95 HZ2 TRP 11 2HZ TRP 11 0.518 -4.414 -10.338 96 HZ3 TRP 11 3HZ TRP 11 1.122 -7.671 -7.669 97 HH2 TRP 11 HH TRP 11 1.980 -6.099 -9.315 98 H TYR 12 H TYR 12 -3.102 -7.968 -4.932 99 HA TYR 12 HA TYR 12 -0.494 -6.812 -4.525 100 HB2 TYR 12 2HB TYR 12 -1.562 -6.249 -2.386 101 HB3 TYR 12 1HB TYR 12 -1.995 -7.936 -2.149 102 HD1 TYR 12 2HD TYR 12 0.973 -5.736 -2.628 103 HD2 TYR 12 1HD TYR 12 -0.527 -9.338 -0.930 104 HE1 TYR 12 2HE TYR 12 3.117 -6.076 -1.470 105 HE2 TYR 12 1HE TYR 12 1.618 -9.687 0.229 106 HH TYR 12 HH TYR 12 3.935 -9.014 0.131 107 H ASN 13 H ASN 13 0.899 -8.179 -5.254 108 HA ASN 13 HA ASN 13 0.374 -11.012 -4.834 109 HB2 ASN 13 2HB ASN 13 1.614 -9.713 -7.253 110 HB3 ASN 13 1HB ASN 13 1.947 -11.388 -6.850 111 HD21 ASN 13 1HD2 ASN 13 -0.450 -9.156 -8.018 112 HD22 ASN 13 2HD2 ASN 13 -1.589 -10.364 -8.469 113 H SER 14 H SER 14 1.481 -11.616 -3.259 114 HA SER 14 HA SER 14 3.726 -10.484 -2.167 115 HB2 SER 14 2HB SER 14 3.890 -12.725 -1.031 116 HB3 SER 14 1HB SER 14 2.307 -11.947 -0.938 117 HG SER 14 HG SER 14 1.498 -13.536 -1.961 118 H THR 15 H THR 15 3.372 -12.798 -4.738 119 HA THR 15 HA THR 15 5.898 -13.905 -4.974 120 HB THR 15 HB THR 15 4.102 -13.151 -7.262 121 HG1 THR 15 1HG THR 15 3.782 -15.349 -5.462 122 HG21 THR 15 3HG2 THR 15 6.221 -14.356 -7.744 123 HG22 THR 15 1HG2 THR 15 4.810 -15.350 -8.109 124 HG23 THR 15 2HG2 THR 15 5.725 -15.633 -6.636 125 H LYS 16 H LYS 16 4.569 -10.812 -6.099 126 HA LYS 16 HA LYS 16 7.063 -10.163 -7.481 127 HB2 LYS 16 2HB LYS 16 4.400 -8.732 -7.413 128 HB3 LYS 16 1HB LYS 16 5.808 -8.168 -8.294 129 HG2 LYS 16 2HG LYS 16 5.738 -10.223 -9.667 130 HG3 LYS 16 1HG LYS 16 4.289 -10.722 -8.798 131 HD2 LYS 16 2HD LYS 16 3.092 -8.768 -9.593 132 HD3 LYS 16 1HD LYS 16 4.550 -8.170 -10.389 133 HE2 LYS 16 2HE LYS 16 4.560 -10.134 -11.846 134 HE3 LYS 16 1HE LYS 16 3.112 -10.742 -11.048 135 HZ1 LYS 16 3HZ LYS 16 1.890 -8.846 -11.853 136 HZ2 LYS 16 1HZ LYS 16 2.622 -9.653 -13.128 137 HZ3 LYS 16 2HZ LYS 16 3.269 -8.192 -12.587 138 H ASN 17 H ASN 17 5.712 -9.922 -4.539 139 HA ASN 17 HA ASN 17 6.180 -8.861 -2.598 140 HB2 ASN 17 2HB ASN 17 8.554 -7.676 -4.059 141 HB3 ASN 17 1HB ASN 17 8.314 -7.665 -2.331 142 HD21 ASN 17 1HD2 ASN 17 7.355 -10.509 -2.325 143 HD22 ASN 17 2HD2 ASN 17 8.770 -11.439 -2.544 144 H PHE 18 H PHE 18 4.593 -7.514 -4.858 145 HA PHE 18 HA PHE 18 4.235 -5.101 -3.407 146 HB2 PHE 18 2HB PHE 18 4.615 -3.473 -5.150 147 HB3 PHE 18 1HB PHE 18 6.084 -4.398 -4.937 148 HD1 PHE 18 2HD PHE 18 6.847 -5.894 -6.734 149 HD2 PHE 18 1HD PHE 18 3.333 -3.549 -7.182 150 HE1 PHE 18 2HE PHE 18 6.894 -6.281 -9.162 151 HE2 PHE 18 1HE PHE 18 3.377 -3.927 -9.605 152 HZ PHE 18 HZ PHE 18 5.155 -5.296 -10.599 153 H GLY 19 H GLY 19 2.597 -3.709 -4.584 154 HA2 GLY 19 2HA GLY 19 0.752 -4.940 -6.349 155 HA3 GLY 19 1HA GLY 19 0.173 -4.913 -4.677 156 H PHE 20 H PHE 20 -1.462 -3.461 -5.603 157 HA PHE 20 HA PHE 20 -0.469 -0.727 -5.459 158 HB2 PHE 20 2HB PHE 20 -2.252 -1.825 -7.603 159 HB3 PHE 20 1HB PHE 20 -2.282 -0.120 -7.185 160 HD1 PHE 20 1HD PHE 20 -0.370 -2.820 -8.724 161 HD2 PHE 20 2HD PHE 20 -0.366 1.299 -7.689 162 HE1 PHE 20 1HE PHE 20 1.561 -2.455 -10.200 163 HE2 PHE 20 2HE PHE 20 1.563 1.672 -9.163 164 HZ PHE 20 HZ PHE 20 2.529 -0.215 -10.420 165 H ILE 21 H ILE 21 -1.939 0.815 -4.772 166 HA ILE 21 HA ILE 21 -4.405 -0.144 -3.507 167 HB ILE 21 HB ILE 21 -2.267 1.487 -2.082 168 HG12 ILE 21 2HG1 ILE 21 -3.143 -1.360 -1.548 169 HG13 ILE 21 1HG1 ILE 21 -1.624 -0.892 -2.289 170 HG21 ILE 21 1HG2 ILE 21 -4.495 2.121 -1.420 171 HG22 ILE 21 2HG2 ILE 21 -3.693 1.253 -0.111 172 HG23 ILE 21 3HG2 ILE 21 -4.904 0.438 -1.097 173 HD11 ILE 21 3HD1 ILE 21 -2.467 -0.150 0.505 174 HD12 ILE 21 1HD1 ILE 21 -0.928 0.222 -0.258 175 HD13 ILE 21 2HD1 ILE 21 -1.349 -1.455 0.081 176 H GLU 22 H GLU 22 -6.022 1.403 -3.830 177 HA GLU 22 HA GLU 22 -5.245 4.196 -3.797 178 HB2 GLU 22 2HB GLU 22 -6.516 4.857 -5.723 179 HB3 GLU 22 1HB GLU 22 -5.447 3.571 -6.257 180 HG2 GLU 22 2HG GLU 22 -7.236 1.996 -6.285 181 HG3 GLU 22 1HG GLU 22 -8.302 3.124 -5.465 182 H GLN 23 H GLN 23 -7.029 5.508 -3.057 183 HA GLN 23 HA GLN 23 -9.004 3.835 -1.748 184 HB2 GLN 23 2HB GLN 23 -9.803 5.790 -0.592 185 HB3 GLN 23 1HB GLN 23 -8.060 5.767 -0.500 186 HG2 GLN 23 2HG GLN 23 -7.940 7.401 -2.248 187 HG3 GLN 23 1HG GLN 23 -9.697 7.446 -2.350 188 HE21 GLN 23 1HE2 GLN 23 -6.935 8.217 -0.438 189 HE22 GLN 23 2HE2 GLN 23 -7.719 9.285 0.643 190 H ASP 24 H ASP 24 -11.147 4.041 -1.959 191 HA ASP 24 HA ASP 24 -12.117 3.967 -4.550 192 HB2 ASP 24 2HB ASP 24 -13.610 4.469 -1.986 193 HB3 ASP 24 1HB ASP 24 -14.341 4.109 -3.537 194 H ASN 25 H ASN 25 -11.730 6.655 -2.407 195 HA ASN 25 HA ASN 25 -13.481 8.393 -3.882 196 HB2 ASN 25 2HB ASN 25 -11.447 9.068 -1.743 197 HB3 ASN 25 1HB ASN 25 -12.521 10.241 -2.494 198 HD21 ASN 25 1HD2 ASN 25 -12.259 7.625 -0.220 199 HD22 ASN 25 2HD2 ASN 25 -13.833 7.778 0.437 200 H GLY 26 H GLY 26 -10.656 7.105 -4.814 201 HA2 GLY 26 2HA GLY 26 -9.731 7.716 -6.889 202 HA3 GLY 26 1HA GLY 26 -10.248 9.373 -6.609 203 H GLY 27 H GLY 27 -8.336 7.065 -4.741 204 HA2 GLY 27 2HA GLY 27 -6.512 9.203 -4.072 205 HA3 GLY 27 1HA GLY 27 -6.361 7.556 -3.487 206 H LYS 28 H LYS 28 -4.081 8.687 -4.239 207 HA LYS 28 HA LYS 28 -3.418 8.592 -6.991 208 HB2 LYS 28 2HB LYS 28 -1.617 8.280 -4.612 209 HB3 LYS 28 1HB LYS 28 -1.102 8.589 -6.256 210 HG2 LYS 28 2HG LYS 28 -2.271 10.734 -6.212 211 HG3 LYS 28 1HG LYS 28 -2.743 10.425 -4.537 212 HD2 LYS 28 2HD LYS 28 -0.390 10.251 -3.918 213 HD3 LYS 28 1HD LYS 28 0.051 10.578 -5.595 214 HE2 LYS 28 2HE LYS 28 -1.474 12.468 -3.795 215 HE3 LYS 28 1HE LYS 28 0.249 12.566 -4.154 216 HZ1 LYS 28 3HZ LYS 28 -0.992 14.096 -5.520 217 HZ2 LYS 28 1HZ LYS 28 -1.953 12.864 -6.156 218 HZ3 LYS 28 2HZ LYS 28 -0.310 12.920 -6.487 219 H ASP 29 H ASP 29 -2.175 7.078 -8.112 220 HA ASP 29 HA ASP 29 -2.601 4.331 -7.341 221 HB2 ASP 29 2HB ASP 29 -1.016 5.455 -9.672 222 HB3 ASP 29 1HB ASP 29 -1.266 3.744 -9.379 223 H VAL 30 H VAL 30 -1.552 4.141 -5.480 224 HA VAL 30 HA VAL 30 1.334 4.480 -5.585 225 HB VAL 30 HB VAL 30 0.288 5.744 -3.782 226 HG11 VAL 30 1HG1 VAL 30 -1.741 4.457 -3.481 227 HG12 VAL 30 2HG1 VAL 30 -0.872 4.724 -1.961 228 HG13 VAL 30 3HG1 VAL 30 -0.795 3.146 -2.750 229 HG21 VAL 30 3HG2 VAL 30 1.741 3.339 -2.741 230 HG22 VAL 30 1HG2 VAL 30 1.450 4.820 -1.837 231 HG23 VAL 30 2HG2 VAL 30 2.448 4.858 -3.289 232 H PHE 31 H PHE 31 2.688 2.773 -5.301 233 HA PHE 31 HA PHE 31 1.333 0.220 -5.280 234 HB2 PHE 31 2HB PHE 31 3.459 -0.788 -6.050 235 HB3 PHE 31 1HB PHE 31 2.866 0.446 -7.147 236 HD1 PHE 31 1HD PHE 31 5.487 -0.505 -4.771 237 HD2 PHE 31 2HD PHE 31 4.147 2.471 -7.502 238 HE1 PHE 31 1HE PHE 31 7.727 0.514 -4.753 239 HE2 PHE 31 2HE PHE 31 6.378 3.498 -7.480 240 HZ PHE 31 HZ PHE 31 8.172 2.521 -6.106 241 H VAL 32 H VAL 32 1.711 -1.304 -3.832 242 HA VAL 32 HA VAL 32 2.881 -0.269 -1.386 243 HB VAL 32 HB VAL 32 0.612 -1.128 -1.154 244 HG11 VAL 32 1HG1 VAL 32 1.674 -3.770 -2.102 245 HG12 VAL 32 2HG1 VAL 32 0.525 -2.728 -2.943 246 HG13 VAL 32 3HG1 VAL 32 0.069 -3.501 -1.425 247 HG21 VAL 32 3HG2 VAL 32 0.937 -2.760 0.643 248 HG22 VAL 32 1HG2 VAL 32 2.011 -1.374 0.812 249 HG23 VAL 32 2HG2 VAL 32 2.634 -2.913 0.204 250 H HIS 33 H HIS 33 4.775 -0.858 -0.716 251 HA HIS 33 HA HIS 33 6.143 -3.065 -2.125 252 HB2 HIS 33 2HB HIS 33 7.209 -0.798 -2.167 253 HB3 HIS 33 1HB HIS 33 7.310 -0.877 -0.404 254 HD1 HIS 33 1HD HIS 33 8.461 -2.978 -3.368 255 HD2 HIS 33 2HD HIS 33 9.553 -1.965 0.480 256 HE1 HIS 33 1HE HIS 33 10.521 -4.208 -2.950 257 HE2 HIS 33 2HE HIS 33 11.183 -3.661 -0.580 258 H LYS 34 H LYS 34 6.974 -4.740 -1.118 259 HA LYS 34 HA LYS 34 5.581 -5.681 1.061 260 HB2 LYS 34 2HB LYS 34 6.343 -7.235 -0.507 261 HB3 LYS 34 1HB LYS 34 8.014 -6.737 -0.310 262 HG2 LYS 34 2HG LYS 34 8.138 -7.745 1.836 263 HG3 LYS 34 1HG LYS 34 6.403 -8.012 1.858 264 HD2 LYS 34 2HD LYS 34 6.469 -9.507 0.236 265 HD3 LYS 34 1HD LYS 34 8.169 -9.224 -0.221 266 HE2 LYS 34 2HE LYS 34 7.912 -11.309 1.122 267 HE3 LYS 34 1HE LYS 34 8.864 -10.096 1.966 268 HZ1 LYS 34 3HZ LYS 34 7.111 -9.543 3.317 269 HZ2 LYS 34 1HZ LYS 34 7.190 -11.212 3.365 270 HZ3 LYS 34 2HZ LYS 34 5.951 -10.476 2.469 271 H SER 35 H SER 35 8.664 -4.037 1.151 272 HA SER 35 HA SER 35 9.490 -4.751 3.704 273 HB2 SER 35 2HB SER 35 9.619 -1.961 2.535 274 HB3 SER 35 1HB SER 35 10.626 -2.604 3.827 275 HG SER 35 HG SER 35 11.091 -4.320 2.083 276 H ALA 36 H ALA 36 6.717 -2.806 2.821 277 HA ALA 36 HA ALA 36 6.290 -1.720 5.417 278 HB1 ALA 36 1HB ALA 36 4.353 -2.169 3.206 279 HB2 ALA 36 2HB ALA 36 5.395 -0.738 3.372 280 HB3 ALA 36 3HB ALA 36 4.157 -1.088 4.600 281 H VAL 37 H VAL 37 5.140 -4.559 3.633 282 HA VAL 37 HA VAL 37 3.344 -5.517 5.595 283 HB VAL 37 HB VAL 37 4.990 -7.218 3.589 284 HG11 VAL 37 1HG1 VAL 37 2.594 -8.045 5.263 285 HG12 VAL 37 2HG1 VAL 37 4.220 -8.434 5.691 286 HG13 VAL 37 3HG1 VAL 37 3.544 -9.058 4.179 287 HG21 VAL 37 3HG2 VAL 37 3.378 -5.631 2.566 288 HG22 VAL 37 1HG2 VAL 37 2.098 -6.327 3.571 289 HG23 VAL 37 2HG2 VAL 37 2.901 -7.317 2.361 290 H ASP 38 H ASP 38 6.716 -6.202 5.004 291 HA ASP 38 HA ASP 38 6.974 -7.835 7.286 292 HB2 ASP 38 2HB ASP 38 9.041 -6.524 5.563 293 HB3 ASP 38 1HB ASP 38 9.457 -7.537 6.940 294 H ALA 39 H ALA 39 7.054 -4.381 6.960 295 HA ALA 39 HA ALA 39 8.637 -3.791 9.200 296 HB1 ALA 39 1HB ALA 39 7.960 -2.105 7.552 297 HB2 ALA 39 2HB ALA 39 7.532 -1.608 9.189 298 HB3 ALA 39 3HB ALA 39 6.291 -2.238 8.104 299 H ALA 40 H ALA 40 5.361 -4.804 8.887 300 HA ALA 40 HA ALA 40 5.046 -4.739 11.843 301 HB1 ALA 40 1HB ALA 40 2.617 -4.480 11.446 302 HB2 ALA 40 2HB ALA 40 2.947 -4.425 9.709 303 HB3 ALA 40 3HB ALA 40 3.550 -3.145 10.757 304 H GLY 41 H GLY 41 5.423 -6.636 9.193 305 HA2 GLY 41 2HA GLY 41 4.936 -8.690 8.507 306 HA3 GLY 41 1HA GLY 41 4.848 -9.228 10.148 307 H LEU 42 H LEU 42 3.054 -7.248 7.873 308 HA LEU 42 HA LEU 42 0.507 -7.582 9.018 309 HB2 LEU 42 2HB LEU 42 1.469 -5.857 7.306 310 HB3 LEU 42 1HB LEU 42 1.087 -7.061 6.108 311 HG LEU 42 HG LEU 42 -0.551 -5.350 6.169 312 HD11 LEU 42 1HD1 LEU 42 -1.667 -7.914 7.273 313 HD12 LEU 42 2HD1 LEU 42 -1.389 -7.528 5.574 314 HD13 LEU 42 3HD1 LEU 42 -2.616 -6.654 6.491 315 HD21 LEU 42 3HD2 LEU 42 -2.009 -4.958 8.106 316 HD22 LEU 42 1HD2 LEU 42 -0.308 -4.587 8.416 317 HD23 LEU 42 2HD2 LEU 42 -1.017 -6.072 9.050 318 H HIS 43 H HIS 43 -0.909 -9.229 8.780 319 HA HIS 43 HA HIS 43 0.018 -11.746 8.157 320 HB2 HIS 43 2HB HIS 43 -1.886 -11.331 9.642 321 HB3 HIS 43 1HB HIS 43 -2.873 -10.895 8.255 322 HD1 HIS 43 1HD HIS 43 -4.137 -12.775 7.172 323 HD2 HIS 43 2HD HIS 43 -1.005 -14.131 9.535 324 HE1 HIS 43 1HE HIS 43 -4.316 -15.260 7.160 325 HE2 HIS 43 2HE HIS 43 -2.418 -16.075 8.583 326 H SER 44 H SER 44 -2.237 -9.846 6.102 327 HA SER 44 HA SER 44 -1.217 -11.040 3.727 328 HB2 SER 44 2HB SER 44 -4.015 -11.836 4.606 329 HB3 SER 44 1HB SER 44 -3.303 -12.159 3.028 330 HG SER 44 HG SER 44 -1.591 -13.096 4.699 331 H LEU 45 H LEU 45 -2.039 -9.994 1.870 332 HA LEU 45 HA LEU 45 -3.982 -7.842 2.344 333 HB2 LEU 45 2HB LEU 45 -1.744 -7.798 0.330 334 HB3 LEU 45 1HB LEU 45 -2.908 -6.552 0.615 335 HG LEU 45 HG LEU 45 -0.796 -7.341 2.628 336 HD11 LEU 45 1HD1 LEU 45 -0.991 -4.942 0.815 337 HD12 LEU 45 2HD1 LEU 45 0.166 -6.265 0.664 338 HD13 LEU 45 3HD1 LEU 45 0.223 -5.198 2.068 339 HD21 LEU 45 3HD2 LEU 45 -2.781 -5.069 2.590 340 HD22 LEU 45 1HD2 LEU 45 -1.512 -5.313 3.790 341 HD23 LEU 45 2HD2 LEU 45 -2.832 -6.476 3.652 342 H GLU 46 H GLU 46 -5.517 -7.651 0.807 343 HA GLU 46 HA GLU 46 -5.432 -9.226 -1.579 344 HB2 GLU 46 2HB GLU 46 -7.591 -10.365 -1.098 345 HB3 GLU 46 1HB GLU 46 -6.257 -10.932 -0.108 346 HG2 GLU 46 2HG GLU 46 -7.080 -9.640 1.769 347 HG3 GLU 46 1HG GLU 46 -8.376 -8.981 0.769 348 H GLU 47 H GLU 47 -7.093 -8.647 -3.113 349 HA GLU 47 HA GLU 47 -7.757 -6.009 -3.173 350 HB2 GLU 47 2HB GLU 47 -7.400 -7.771 -4.940 351 HB3 GLU 47 1HB GLU 47 -8.990 -8.376 -4.508 352 HG2 GLU 47 2HG GLU 47 -8.395 -5.659 -5.554 353 HG3 GLU 47 1HG GLU 47 -8.850 -7.077 -6.510 354 H GLY 48 H GLY 48 -9.558 -5.023 -2.515 355 HA2 GLY 48 2HA GLY 48 -11.882 -4.928 -1.925 356 HA3 GLY 48 1HA GLY 48 -11.785 -6.600 -1.398 357 H GLN 49 H GLN 49 -9.084 -5.661 -0.110 358 HA GLN 49 HA GLN 49 -10.260 -4.978 2.432 359 HB2 GLN 49 2HB GLN 49 -7.495 -5.606 1.479 360 HB3 GLN 49 1HB GLN 49 -7.769 -4.961 3.080 361 HG2 GLN 49 2HG GLN 49 -9.284 -7.306 2.179 362 HG3 GLN 49 1HG GLN 49 -7.593 -7.558 2.669 363 HE21 GLN 49 1HE2 GLN 49 -9.877 -5.240 4.165 364 HE22 GLN 49 2HE2 GLN 49 -9.960 -6.073 5.651 365 H ASP 50 H ASP 50 -10.285 -3.026 3.302 366 HA ASP 50 HA ASP 50 -9.037 -0.860 1.835 367 HB2 ASP 50 2HB ASP 50 -10.854 -0.852 4.253 368 HB3 ASP 50 1HB ASP 50 -10.136 0.606 3.580 369 H VAL 51 H VAL 51 -7.318 0.268 2.616 370 HA VAL 51 HA VAL 51 -6.220 -0.754 5.075 371 HB VAL 51 HB VAL 51 -5.340 -2.106 3.260 372 HG11 VAL 51 1HG1 VAL 51 -5.427 -0.568 1.386 373 HG12 VAL 51 2HG1 VAL 51 -3.815 -1.200 1.563 374 HG13 VAL 51 3HG1 VAL 51 -4.183 0.432 2.133 375 HG21 VAL 51 3HG2 VAL 51 -3.258 -0.303 4.460 376 HG22 VAL 51 1HG2 VAL 51 -2.953 -1.920 3.801 377 HG23 VAL 51 2HG2 VAL 51 -4.004 -1.695 5.227 378 H ILE 52 H ILE 52 -4.704 0.511 5.979 379 HA ILE 52 HA ILE 52 -4.780 3.357 5.264 380 HB ILE 52 HB ILE 52 -4.333 2.031 7.959 381 HG12 ILE 52 2HG1 ILE 52 -6.788 3.515 6.988 382 HG13 ILE 52 1HG1 ILE 52 -6.647 1.763 7.018 383 HG21 ILE 52 1HG2 ILE 52 -4.594 4.314 8.858 384 HG22 ILE 52 2HG2 ILE 52 -4.754 4.939 7.221 385 HG23 ILE 52 3HG2 ILE 52 -3.237 4.217 7.740 386 HD11 ILE 52 3HD1 ILE 52 -6.412 1.807 9.411 387 HD12 ILE 52 1HD1 ILE 52 -7.897 2.596 8.905 388 HD13 ILE 52 2HD1 ILE 52 -6.514 3.575 9.427 389 H PHE 53 H PHE 53 -2.777 4.265 4.901 390 HA PHE 53 HA PHE 53 -0.390 2.897 5.832 391 HB2 PHE 53 2HB PHE 53 0.604 2.982 3.565 392 HB3 PHE 53 1HB PHE 53 -0.670 1.793 3.667 393 HD1 PHE 53 1HD PHE 53 -2.901 2.356 2.635 394 HD2 PHE 53 2HD PHE 53 0.534 4.807 2.088 395 HE1 PHE 53 1HE PHE 53 -3.943 3.379 0.688 396 HE2 PHE 53 2HE PHE 53 -0.509 5.832 0.133 397 HZ PHE 53 HZ PHE 53 -2.732 5.120 -0.583 398 H ASP 54 H ASP 54 1.571 4.232 4.987 399 HA ASP 54 HA ASP 54 0.834 7.065 4.969 400 HB2 ASP 54 2HB ASP 54 3.450 5.819 5.887 401 HB3 ASP 54 1HB ASP 54 3.098 7.535 5.831 402 H LEU 55 H LEU 55 2.184 8.320 3.575 403 HA LEU 55 HA LEU 55 3.585 6.759 1.571 404 HB2 LEU 55 2HB LEU 55 1.357 6.880 0.703 405 HB3 LEU 55 1HB LEU 55 1.296 8.595 1.023 406 HG LEU 55 HG LEU 55 2.839 9.044 -0.800 407 HD11 LEU 55 1HD1 LEU 55 4.226 7.057 -0.603 408 HD12 LEU 55 2HD1 LEU 55 3.641 7.261 -2.251 409 HD13 LEU 55 3HD1 LEU 55 2.906 6.056 -1.195 410 HD21 LEU 55 3HD2 LEU 55 1.455 8.316 -2.671 411 HD22 LEU 55 1HD2 LEU 55 0.457 8.863 -1.325 412 HD23 LEU 55 2HD2 LEU 55 0.646 7.136 -1.642 413 H GLU 56 H GLU 56 5.239 7.675 0.779 414 HA GLU 56 HA GLU 56 5.537 10.496 0.681 415 HB2 GLU 56 2HB GLU 56 6.484 9.855 2.921 416 HB3 GLU 56 1HB GLU 56 7.582 8.761 2.089 417 HG2 GLU 56 2HG GLU 56 8.707 10.569 1.035 418 HG3 GLU 56 1HG GLU 56 7.498 11.719 1.602 419 H GLU 57 H GLU 57 7.073 11.019 -0.921 420 HA GLU 57 HA GLU 57 6.978 8.929 -2.873 421 HB2 GLU 57 2HB GLU 57 7.613 11.844 -3.115 422 HB3 GLU 57 1HB GLU 57 7.543 10.713 -4.469 423 HG2 GLU 57 2HG GLU 57 5.224 10.225 -4.002 424 HG3 GLU 57 1HG GLU 57 5.269 11.257 -2.577 425 H LYS 58 H LYS 58 8.468 7.852 -3.658 426 HA LYS 58 HA LYS 58 11.181 7.932 -2.595 427 HB2 LYS 58 2HB LYS 58 9.886 5.802 -2.829 428 HB3 LYS 58 1HB LYS 58 9.860 6.048 -4.550 429 HG2 LYS 58 2HG LYS 58 12.305 5.914 -4.611 430 HG3 LYS 58 1HG LYS 58 12.303 5.648 -2.864 431 HD2 LYS 58 2HD LYS 58 11.035 3.600 -3.150 432 HD3 LYS 58 1HD LYS 58 10.937 3.879 -4.889 433 HE2 LYS 58 2HE LYS 58 12.697 2.289 -4.487 434 HE3 LYS 58 1HE LYS 58 13.349 3.861 -4.987 435 HZ1 LYS 58 3HZ LYS 58 14.639 2.932 -3.189 436 HZ2 LYS 58 1HZ LYS 58 13.288 2.889 -2.176 437 HZ3 LYS 58 2HZ LYS 58 13.926 4.355 -2.729 438 H GLN 59 H GLN 59 11.346 10.106 -3.630 439 HA GLN 59 HA GLN 59 12.328 11.488 -5.110 440 HB2 GLN 59 2HB GLN 59 14.156 9.864 -4.646 441 HB3 GLN 59 1HB GLN 59 13.654 8.928 -6.037 442 HG2 GLN 59 2HG GLN 59 14.322 10.670 -7.526 443 HG3 GLN 59 1HG GLN 59 14.634 11.770 -6.184 444 HE21 GLN 59 1HE2 GLN 59 16.408 11.443 -4.910 445 HE22 GLN 59 2HE2 GLN 59 17.741 10.449 -5.375 446 H GLY 60 H GLY 60 9.795 10.166 -5.886 447 HA2 GLY 60 2HA GLY 60 8.883 11.216 -8.068 448 HA3 GLY 60 1HA GLY 60 10.023 10.098 -8.803 449 H LYS 61 H LYS 61 9.668 8.003 -6.918 450 HA LYS 61 HA LYS 61 7.293 6.877 -8.052 451 HB2 LYS 61 2HB LYS 61 9.394 5.671 -6.253 452 HB3 LYS 61 1HB LYS 61 7.948 4.786 -6.718 453 HG2 LYS 61 2HG LYS 61 9.773 4.133 -8.028 454 HG3 LYS 61 1HG LYS 61 8.671 5.045 -9.071 455 HD2 LYS 61 2HD LYS 61 10.164 7.032 -8.677 456 HD3 LYS 61 1HD LYS 61 11.282 5.940 -7.854 457 HE2 LYS 61 2HE LYS 61 11.333 4.558 -9.906 458 HE3 LYS 61 1HE LYS 61 10.295 5.801 -10.631 459 HZ1 LYS 61 3HZ LYS 61 12.022 7.417 -10.412 460 HZ2 LYS 61 1HZ LYS 61 12.672 6.103 -11.199 461 HZ3 LYS 61 2HZ LYS 61 13.028 6.343 -9.573 462 H ALA 62 H ALA 62 5.748 5.648 -6.501 463 HA ALA 62 HA ALA 62 5.563 6.968 -3.895 464 HB1 ALA 62 1HB ALA 62 3.995 8.082 -5.411 465 HB2 ALA 62 2HB ALA 62 3.118 7.150 -4.200 466 HB3 ALA 62 3HB ALA 62 3.292 6.520 -5.834 467 H TYR 63 H TYR 63 5.734 5.373 -2.394 468 HA TYR 63 HA TYR 63 4.282 2.938 -2.993 469 HB2 TYR 63 2HB TYR 63 5.971 1.543 -2.002 470 HB3 TYR 63 1HB TYR 63 6.632 2.456 -3.336 471 HD1 TYR 63 2HD TYR 63 7.760 4.832 -2.402 472 HD2 TYR 63 1HD TYR 63 7.312 1.211 -0.226 473 HE1 TYR 63 2HE TYR 63 9.624 5.481 -0.913 474 HE2 TYR 63 1HE TYR 63 9.153 1.858 1.250 475 HH TYR 63 HH TYR 63 10.417 4.990 1.318 476 H ALA 64 H ALA 64 3.259 2.036 -1.476 477 HA ALA 64 HA ALA 64 2.510 3.635 0.873 478 HB1 ALA 64 1HB ALA 64 0.760 1.969 1.180 479 HB2 ALA 64 2HB ALA 64 1.448 0.970 -0.097 480 HB3 ALA 64 3HB ALA 64 0.751 2.559 -0.468 481 H VAL 65 H VAL 65 3.058 3.367 2.828 482 HA VAL 65 HA VAL 65 4.398 0.911 3.676 483 HB VAL 65 HB VAL 65 6.051 2.253 4.987 484 HG11 VAL 65 1HG1 VAL 65 6.719 1.312 2.865 485 HG12 VAL 65 2HG1 VAL 65 7.494 2.875 3.121 486 HG13 VAL 65 3HG1 VAL 65 6.120 2.740 2.026 487 HG21 VAL 65 3HG2 VAL 65 4.980 4.584 3.397 488 HG22 VAL 65 1HG2 VAL 65 6.416 4.619 4.420 489 HG23 VAL 65 2HG2 VAL 65 4.829 4.348 5.137 490 H ASN 66 H ASN 66 4.613 0.894 6.128 491 HA ASN 66 HA ASN 66 3.570 0.750 8.130 492 HB2 ASN 66 2HB ASN 66 4.191 3.277 8.071 493 HB3 ASN 66 1HB ASN 66 2.563 3.512 7.565 494 HD21 ASN 66 1HD2 ASN 66 2.305 4.799 9.387 495 HD22 ASN 66 2HD2 ASN 66 1.884 4.125 10.937 496 H LEU 67 H LEU 67 2.206 -0.754 6.850 497 HA LEU 67 HA LEU 67 -0.409 0.187 6.144 498 HB2 LEU 67 2HB LEU 67 0.634 -2.617 6.158 499 HB3 LEU 67 1HB LEU 67 -0.881 -2.084 5.482 500 HG LEU 67 HG LEU 67 1.893 -1.549 4.419 501 HD11 LEU 67 1HD1 LEU 67 0.866 -3.682 3.945 502 HD12 LEU 67 2HD1 LEU 67 1.047 -2.609 2.534 503 HD13 LEU 67 3HD1 LEU 67 -0.534 -2.776 3.320 504 HD21 LEU 67 3HD2 LEU 67 -0.728 -0.371 3.527 505 HD22 LEU 67 1HD2 LEU 67 0.816 -0.262 2.666 506 HD23 LEU 67 2HD2 LEU 67 0.647 0.490 4.244 507 H ARG 68 H ARG 68 -2.247 -0.312 7.020 508 HA ARG 68 HA ARG 68 -2.473 -2.117 9.289 509 HB2 ARG 68 2HB ARG 68 -2.016 0.243 10.136 510 HB3 ARG 68 1HB ARG 68 -3.537 0.732 9.384 511 HG2 ARG 68 2HG ARG 68 -3.875 0.388 11.697 512 HG3 ARG 68 1HG ARG 68 -4.632 -0.970 10.851 513 HD2 ARG 68 2HD ARG 68 -3.326 -1.704 12.789 514 HD3 ARG 68 1HD ARG 68 -2.684 -2.354 11.274 515 HE ARG 68 HE ARG 68 -1.355 0.026 11.818 516 HH11 ARG 68 1HH1 ARG 68 -1.533 -3.214 13.216 517 HH12 ARG 68 2HH1 ARG 68 0.032 -3.136 13.900 518 HH21 ARG 68 1HH2 ARG 68 0.735 0.102 12.716 519 HH22 ARG 68 2HH2 ARG 68 1.347 -1.220 13.616 520 H ILE 69 H ILE 69 -4.441 -3.240 8.916 521 HA ILE 69 HA ILE 69 -5.905 -2.407 6.594 522 HB ILE 69 HB ILE 69 -6.540 -4.710 8.461 523 HG12 ILE 69 2HG1 ILE 69 -4.202 -4.760 7.611 524 HG13 ILE 69 1HG1 ILE 69 -5.176 -6.114 7.079 525 HG21 ILE 69 1HG2 ILE 69 -7.622 -5.654 6.499 526 HG22 ILE 69 2HG2 ILE 69 -7.244 -4.194 5.597 527 HG23 ILE 69 3HG2 ILE 69 -8.335 -4.109 6.977 528 HD11 ILE 69 3HD1 ILE 69 -5.461 -4.975 4.889 529 HD12 ILE 69 1HD1 ILE 69 -3.769 -5.292 5.275 530 HD13 ILE 69 2HD1 ILE 69 -4.424 -3.670 5.471 531 H LYS 70 H LYS 70 -7.948 -1.709 6.555 532 HA LYS 70 HA LYS 70 -9.093 -0.466 8.848 533 HB2 LYS 70 2HB LYS 70 -9.313 0.334 6.411 534 HB3 LYS 70 1HB LYS 70 -10.321 -1.058 6.167 535 HG2 LYS 70 2HG LYS 70 -11.953 -0.289 7.691 536 HG3 LYS 70 1HG LYS 70 -10.942 1.108 8.106 537 HD2 LYS 70 2HD LYS 70 -11.080 1.912 5.801 538 HD3 LYS 70 1HD LYS 70 -12.044 0.507 5.355 539 HE2 LYS 70 2HE LYS 70 -13.788 1.217 6.869 540 HE3 LYS 70 1HE LYS 70 -12.839 2.630 7.336 541 HZ1 LYS 70 3HZ LYS 70 -14.516 3.177 5.647 542 HZ2 LYS 70 1HZ LYS 70 -13.873 2.057 4.597 543 HZ3 LYS 70 2HZ LYS 70 -12.979 3.416 5.023 Start of MODEL 20 1 H1 MET 1 1HT MET 1 7.785 13.186 3.136 2 H2 MET 1 2HT MET 1 6.645 14.200 3.882 3 H3 MET 1 3HT MET 1 6.420 13.667 2.305 4 HA MET 1 HA MET 1 6.070 11.460 2.901 5 HB2 MET 1 2HB MET 1 6.499 12.362 5.770 6 HB3 MET 1 1HB MET 1 5.935 10.780 5.281 7 HG2 MET 1 2HG MET 1 8.235 10.627 5.895 8 HG3 MET 1 1HG MET 1 8.112 10.415 4.154 9 HE1 MET 1 2HE MET 1 10.738 10.795 3.974 10 HE2 MET 1 3HE MET 1 10.831 11.043 5.717 11 HE3 MET 1 1HE MET 1 11.561 12.215 4.622 12 H ALA 2 H ALA 2 4.047 10.645 3.806 13 HA ALA 2 HA ALA 2 2.175 12.662 4.785 14 HB1 ALA 2 1HB ALA 2 0.435 11.780 3.245 15 HB2 ALA 2 2HB ALA 2 1.659 10.771 2.466 16 HB3 ALA 2 3HB ALA 2 1.770 12.524 2.364 17 H THR 3 H THR 3 0.897 11.780 6.437 18 HA THR 3 HA THR 3 1.297 8.915 6.894 19 HB THR 3 HB THR 3 1.119 9.491 9.348 20 HG1 THR 3 1HG THR 3 0.811 11.458 9.913 21 HG21 THR 3 3HG2 THR 3 3.435 10.730 7.837 22 HG22 THR 3 1HG2 THR 3 3.301 9.034 8.305 23 HG23 THR 3 2HG2 THR 3 3.447 10.281 9.543 24 H ASN 4 H ASN 4 -0.356 7.724 7.797 25 HA ASN 4 HA ASN 4 -2.441 6.980 7.982 26 HB2 ASN 4 2HB ASN 4 -3.027 9.756 9.048 27 HB3 ASN 4 1HB ASN 4 -4.134 8.394 9.158 28 HD21 ASN 4 1HD2 ASN 4 -2.897 9.963 11.262 29 HD22 ASN 4 2HD2 ASN 4 -2.022 8.842 12.247 30 H ILE 5 H ILE 5 -2.486 6.739 5.800 31 HA ILE 5 HA ILE 5 -4.172 8.632 4.333 32 HB ILE 5 HB ILE 5 -2.307 6.473 3.334 33 HG12 ILE 5 2HG1 ILE 5 -1.963 9.454 3.646 34 HG13 ILE 5 1HG1 ILE 5 -1.087 8.122 4.405 35 HG21 ILE 5 1HG2 ILE 5 -4.116 6.926 1.751 36 HG22 ILE 5 2HG2 ILE 5 -2.552 7.466 1.148 37 HG23 ILE 5 3HG2 ILE 5 -3.714 8.652 1.766 38 HD11 ILE 5 3HD1 ILE 5 -0.111 7.487 2.388 39 HD12 ILE 5 1HD1 ILE 5 0.181 9.205 2.650 40 HD13 ILE 5 2HD1 ILE 5 -1.056 8.679 1.487 41 H VAL 6 H VAL 6 -5.796 7.812 3.014 42 HA VAL 6 HA VAL 6 -6.889 5.242 3.854 43 HB VAL 6 HB VAL 6 -8.188 7.553 2.424 44 HG11 VAL 6 1HG1 VAL 6 -9.036 5.438 1.559 45 HG12 VAL 6 2HG1 VAL 6 -10.284 6.267 2.473 46 HG13 VAL 6 3HG1 VAL 6 -9.428 4.891 3.187 47 HG21 VAL 6 3HG2 VAL 6 -8.689 6.388 5.166 48 HG22 VAL 6 1HG2 VAL 6 -9.613 7.697 4.430 49 HG23 VAL 6 2HG2 VAL 6 -7.909 7.932 4.817 50 H GLY 7 H GLY 7 -6.791 3.660 2.482 51 HA2 GLY 7 2HA GLY 7 -7.328 4.169 -0.215 52 HA3 GLY 7 1HA GLY 7 -5.746 3.507 -0.045 53 H LYS 8 H LYS 8 -7.349 2.077 -1.421 54 HA LYS 8 HA LYS 8 -7.913 -0.182 0.330 55 HB2 LYS 8 2HB LYS 8 -10.021 0.697 -0.592 56 HB3 LYS 8 1HB LYS 8 -9.318 0.660 -2.207 57 HG2 LYS 8 2HG LYS 8 -9.198 -1.710 -2.177 58 HG3 LYS 8 1HG LYS 8 -9.754 -1.771 -0.506 59 HD2 LYS 8 2HD LYS 8 -11.347 -0.630 -2.785 60 HD3 LYS 8 1HD LYS 8 -11.533 -2.299 -2.224 61 HE2 LYS 8 2HE LYS 8 -12.155 -1.424 -0.001 62 HE3 LYS 8 1HE LYS 8 -12.025 0.220 -0.612 63 HZ1 LYS 8 3HZ LYS 8 -13.933 -1.860 -1.524 64 HZ2 LYS 8 1HZ LYS 8 -13.820 -0.314 -2.208 65 HZ3 LYS 8 2HZ LYS 8 -14.302 -0.510 -0.610 66 H VAL 9 H VAL 9 -7.065 -2.073 -0.296 67 HA VAL 9 HA VAL 9 -4.786 -2.071 -1.897 68 HB VAL 9 HB VAL 9 -6.507 -4.455 -1.122 69 HG11 VAL 9 1HG1 VAL 9 -5.006 -4.983 -2.968 70 HG12 VAL 9 2HG1 VAL 9 -4.526 -5.805 -1.488 71 HG13 VAL 9 3HG1 VAL 9 -3.628 -4.381 -2.036 72 HG21 VAL 9 3HG2 VAL 9 -4.068 -3.287 0.221 73 HG22 VAL 9 1HG2 VAL 9 -4.899 -4.765 0.704 74 HG23 VAL 9 2HG2 VAL 9 -5.724 -3.208 0.820 75 H LYS 10 H LYS 10 -4.656 -1.779 -3.899 76 HA LYS 10 HA LYS 10 -6.878 -2.018 -5.690 77 HB2 LYS 10 2HB LYS 10 -5.288 -0.150 -5.673 78 HB3 LYS 10 1HB LYS 10 -3.997 -1.248 -6.036 79 HG2 LYS 10 2HG LYS 10 -4.864 -1.607 -8.253 80 HG3 LYS 10 1HG LYS 10 -6.277 -0.600 -7.888 81 HD2 LYS 10 2HD LYS 10 -4.887 1.324 -7.495 82 HD3 LYS 10 1HD LYS 10 -3.435 0.352 -7.671 83 HE2 LYS 10 2HE LYS 10 -3.843 1.712 -9.578 84 HE3 LYS 10 1HE LYS 10 -3.917 -0.002 -9.982 85 HZ1 LYS 10 3HZ LYS 10 -6.299 1.724 -9.494 86 HZ2 LYS 10 1HZ LYS 10 -6.321 0.119 -10.012 87 HZ3 LYS 10 2HZ LYS 10 -5.732 1.316 -11.027 88 H TRP 11 H TRP 11 -3.717 -3.501 -5.263 89 HA TRP 11 HA TRP 11 -4.581 -6.081 -5.678 90 HB2 TRP 11 2HB TRP 11 -3.412 -6.741 -7.744 91 HB3 TRP 11 1HB TRP 11 -4.722 -5.659 -8.100 92 HD1 TRP 11 HD TRP 11 -3.993 -3.222 -9.121 93 HE1 TRP 11 1HE TRP 11 -1.794 -2.465 -10.271 94 HE3 TRP 11 3HE TRP 11 -1.003 -7.011 -7.663 95 HZ2 TRP 11 2HZ TRP 11 0.854 -3.378 -10.506 96 HZ3 TRP 11 3HZ TRP 11 1.385 -7.026 -8.379 97 HH2 TRP 11 HH TRP 11 2.275 -5.237 -9.771 98 H TYR 12 H TYR 12 -2.829 -7.605 -5.594 99 HA TYR 12 HA TYR 12 -0.204 -6.577 -5.004 100 HB2 TYR 12 2HB TYR 12 -1.329 -6.239 -2.843 101 HB3 TYR 12 1HB TYR 12 -1.836 -7.922 -2.836 102 HD1 TYR 12 2HD TYR 12 1.124 -5.701 -2.669 103 HD2 TYR 12 1HD TYR 12 -0.387 -9.615 -1.994 104 HE1 TYR 12 2HE TYR 12 3.204 -6.294 -1.482 105 HE2 TYR 12 1HE TYR 12 1.679 -10.219 -0.807 106 HH TYR 12 HH TYR 12 4.083 -9.468 -0.725 107 H ASN 13 H ASN 13 1.139 -7.931 -5.888 108 HA ASN 13 HA ASN 13 0.354 -10.745 -6.087 109 HB2 ASN 13 2HB ASN 13 2.378 -9.175 -7.712 110 HB3 ASN 13 1HB ASN 13 2.181 -10.912 -7.826 111 HD21 ASN 13 1HD2 ASN 13 -0.762 -10.772 -7.573 112 HD22 ASN 13 2HD2 ASN 13 -1.322 -10.146 -9.069 113 H SER 14 H SER 14 1.054 -11.798 -4.404 114 HA SER 14 HA SER 14 3.131 -10.958 -2.746 115 HB2 SER 14 2HB SER 14 2.750 -13.295 -1.767 116 HB3 SER 14 1HB SER 14 1.383 -12.177 -1.778 117 HG SER 14 HG SER 14 1.644 -14.566 -2.971 118 H THR 15 H THR 15 3.121 -12.905 -5.569 119 HA THR 15 HA THR 15 5.502 -14.338 -5.107 120 HB THR 15 HB THR 15 4.272 -13.513 -7.753 121 HG1 THR 15 1HG THR 15 3.690 -15.514 -5.848 122 HG21 THR 15 3HG2 THR 15 6.552 -14.462 -7.949 123 HG22 THR 15 1HG2 THR 15 5.347 -15.573 -8.600 124 HG23 THR 15 2HG2 THR 15 6.044 -15.863 -7.005 125 H LYS 16 H LYS 16 4.844 -11.070 -6.218 126 HA LYS 16 HA LYS 16 7.733 -10.664 -6.714 127 HB2 LYS 16 2HB LYS 16 5.395 -8.946 -7.549 128 HB3 LYS 16 1HB LYS 16 7.080 -8.635 -7.920 129 HG2 LYS 16 2HG LYS 16 7.164 -10.654 -9.272 130 HG3 LYS 16 1HG LYS 16 5.469 -10.986 -8.888 131 HD2 LYS 16 2HD LYS 16 4.835 -8.844 -9.904 132 HD3 LYS 16 1HD LYS 16 6.522 -8.554 -10.326 133 HE2 LYS 16 2HE LYS 16 6.521 -10.547 -11.729 134 HE3 LYS 16 1HE LYS 16 4.845 -10.865 -11.289 135 HZ1 LYS 16 3HZ LYS 16 4.229 -8.757 -12.331 136 HZ2 LYS 16 1HZ LYS 16 4.975 -9.772 -13.433 137 HZ3 LYS 16 2HZ LYS 16 5.819 -8.471 -12.771 138 H ASN 17 H ASN 17 5.343 -10.232 -4.458 139 HA ASN 17 HA ASN 17 4.940 -8.957 -2.667 140 HB2 ASN 17 2HB ASN 17 7.912 -8.747 -2.873 141 HB3 ASN 17 1HB ASN 17 7.026 -8.013 -1.536 142 HD21 ASN 17 1HD2 ASN 17 8.857 -10.337 -1.866 143 HD22 ASN 17 2HD2 ASN 17 8.098 -11.644 -1.034 144 H PHE 18 H PHE 18 4.750 -7.681 -5.256 145 HA PHE 18 HA PHE 18 4.747 -4.924 -4.289 146 HB2 PHE 18 2HB PHE 18 5.342 -5.876 -7.096 147 HB3 PHE 18 1HB PHE 18 4.845 -4.234 -6.744 148 HD1 PHE 18 1HD PHE 18 6.305 -2.887 -5.148 149 HD2 PHE 18 2HD PHE 18 7.582 -6.499 -6.993 150 HE1 PHE 18 1HE PHE 18 8.650 -2.253 -4.752 151 HE2 PHE 18 2HE PHE 18 9.926 -5.870 -6.606 152 HZ PHE 18 HZ PHE 18 10.464 -3.746 -5.483 153 H GLY 19 H GLY 19 3.019 -3.659 -4.970 154 HA2 GLY 19 2HA GLY 19 0.929 -4.664 -6.583 155 HA3 GLY 19 1HA GLY 19 0.543 -4.727 -4.859 156 H PHE 20 H PHE 20 -1.097 -3.170 -5.664 157 HA PHE 20 HA PHE 20 -0.036 -0.505 -5.214 158 HB2 PHE 20 2HB PHE 20 -1.825 -1.233 -7.515 159 HB3 PHE 20 1HB PHE 20 -1.789 0.373 -6.785 160 HD1 PHE 20 1HD PHE 20 0.227 -2.118 -8.615 161 HD2 PHE 20 2HD PHE 20 -0.081 1.903 -7.303 162 HE1 PHE 20 1HE PHE 20 2.111 -1.511 -10.060 163 HE2 PHE 20 2HE PHE 20 1.807 2.529 -8.746 164 HZ PHE 20 HZ PHE 20 2.905 0.814 -10.130 165 H ILE 21 H ILE 21 -1.684 1.051 -4.732 166 HA ILE 21 HA ILE 21 -4.074 0.003 -3.459 167 HB ILE 21 HB ILE 21 -2.025 1.734 -2.003 168 HG12 ILE 21 2HG1 ILE 21 -2.849 -1.124 -1.473 169 HG13 ILE 21 1HG1 ILE 21 -1.311 -0.619 -2.136 170 HG21 ILE 21 1HG2 ILE 21 -4.276 2.338 -1.418 171 HG22 ILE 21 2HG2 ILE 21 -3.488 1.501 -0.076 172 HG23 ILE 21 3HG2 ILE 21 -4.659 0.649 -1.079 173 HD11 ILE 21 3HD1 ILE 21 -2.311 0.104 0.612 174 HD12 ILE 21 1HD1 ILE 21 -0.751 0.532 -0.075 175 HD13 ILE 21 2HD1 ILE 21 -1.129 -1.160 0.246 176 H GLU 22 H GLU 22 -5.723 1.443 -3.758 177 HA GLU 22 HA GLU 22 -5.108 4.265 -3.995 178 HB2 GLU 22 2HB GLU 22 -6.580 4.616 -5.908 179 HB3 GLU 22 1HB GLU 22 -5.359 3.443 -6.375 180 HG2 GLU 22 2HG GLU 22 -6.920 1.643 -6.165 181 HG3 GLU 22 1HG GLU 22 -8.110 2.721 -5.436 182 H GLN 23 H GLN 23 -6.875 5.460 -3.129 183 HA GLN 23 HA GLN 23 -8.554 3.798 -1.490 184 HB2 GLN 23 2HB GLN 23 -9.553 5.784 -0.599 185 HB3 GLN 23 1HB GLN 23 -7.824 6.062 -0.709 186 HG2 GLN 23 2HG GLN 23 -8.206 7.245 -2.789 187 HG3 GLN 23 1HG GLN 23 -9.932 7.071 -2.567 188 HE21 GLN 23 1HE2 GLN 23 -7.627 7.677 0.040 189 HE22 GLN 23 2HE2 GLN 23 -8.239 9.250 0.398 190 H ASP 24 H ASP 24 -10.512 3.459 -1.517 191 HA ASP 24 HA ASP 24 -11.719 2.709 -3.931 192 HB2 ASP 24 2HB ASP 24 -12.311 1.916 -1.657 193 HB3 ASP 24 1HB ASP 24 -13.164 3.419 -1.395 194 H ASN 25 H ASN 25 -11.738 5.720 -2.338 195 HA ASN 25 HA ASN 25 -13.980 6.887 -3.732 196 HB2 ASN 25 2HB ASN 25 -11.839 8.245 -2.074 197 HB3 ASN 25 1HB ASN 25 -13.253 9.049 -2.729 198 HD21 ASN 25 1HD2 ASN 25 -12.028 6.974 -0.231 199 HD22 ASN 25 2HD2 ASN 25 -13.502 6.893 0.653 200 H GLY 26 H GLY 26 -11.074 6.030 -4.927 201 HA2 GLY 26 2HA GLY 26 -10.333 6.488 -7.102 202 HA3 GLY 26 1HA GLY 26 -11.402 7.886 -7.140 203 H GLY 27 H GLY 27 -8.716 6.891 -5.055 204 HA2 GLY 27 2HA GLY 27 -7.775 9.654 -5.088 205 HA3 GLY 27 1HA GLY 27 -7.174 8.399 -4.024 206 H LYS 28 H LYS 28 -5.048 8.582 -4.414 207 HA LYS 28 HA LYS 28 -4.054 8.666 -7.156 208 HB2 LYS 28 2HB LYS 28 -2.572 8.860 -4.538 209 HB3 LYS 28 1HB LYS 28 -1.878 9.090 -6.137 210 HG2 LYS 28 2HG LYS 28 -3.368 11.009 -6.483 211 HG3 LYS 28 1HG LYS 28 -3.993 10.795 -4.848 212 HD2 LYS 28 2HD LYS 28 -1.719 11.088 -3.975 213 HD3 LYS 28 1HD LYS 28 -1.161 11.358 -5.633 214 HE2 LYS 28 2HE LYS 28 -2.664 13.282 -5.821 215 HE3 LYS 28 1HE LYS 28 -3.194 13.033 -4.160 216 HZ1 LYS 28 3HZ LYS 28 -0.915 13.476 -3.429 217 HZ2 LYS 28 1HZ LYS 28 -1.550 14.763 -4.307 218 HZ3 LYS 28 2HZ LYS 28 -0.438 13.719 -5.028 219 H ASP 29 H ASP 29 -2.175 7.240 -7.658 220 HA ASP 29 HA ASP 29 -2.704 4.539 -6.639 221 HB2 ASP 29 2HB ASP 29 -1.049 5.306 -9.053 222 HB3 ASP 29 1HB ASP 29 -1.594 3.701 -8.608 223 H VAL 30 H VAL 30 -1.425 4.017 -5.058 224 HA VAL 30 HA VAL 30 1.397 4.733 -5.247 225 HB VAL 30 HB VAL 30 0.524 5.965 -3.361 226 HG11 VAL 30 1HG1 VAL 30 -1.594 4.734 -3.069 227 HG12 VAL 30 2HG1 VAL 30 -0.677 5.055 -1.584 228 HG13 VAL 30 3HG1 VAL 30 -0.647 3.431 -2.289 229 HG21 VAL 30 3HG2 VAL 30 1.813 3.454 -2.363 230 HG22 VAL 30 1HG2 VAL 30 1.572 4.922 -1.424 231 HG23 VAL 30 2HG2 VAL 30 2.612 4.948 -2.851 232 H PHE 31 H PHE 31 2.906 3.043 -4.902 233 HA PHE 31 HA PHE 31 1.585 0.483 -5.118 234 HB2 PHE 31 2HB PHE 31 3.629 -0.489 -5.960 235 HB3 PHE 31 1HB PHE 31 3.326 0.998 -6.832 236 HD1 PHE 31 1HD PHE 31 5.478 -0.707 -4.397 237 HD2 PHE 31 2HD PHE 31 4.919 2.823 -6.708 238 HE1 PHE 31 1HE PHE 31 7.807 -0.064 -3.963 239 HE2 PHE 31 2HE PHE 31 7.260 3.473 -6.259 240 HZ PHE 31 HZ PHE 31 8.695 2.031 -4.897 241 H VAL 32 H VAL 32 2.124 -1.271 -3.888 242 HA VAL 32 HA VAL 32 3.241 -0.515 -1.290 243 HB VAL 32 HB VAL 32 0.818 -1.012 -1.186 244 HG11 VAL 32 1HG1 VAL 32 1.563 -3.753 -2.137 245 HG12 VAL 32 2HG1 VAL 32 0.591 -2.562 -3.001 246 HG13 VAL 32 3HG1 VAL 32 -0.021 -3.289 -1.512 247 HG21 VAL 32 3HG2 VAL 32 0.880 -2.673 0.630 248 HG22 VAL 32 1HG2 VAL 32 2.124 -1.451 0.825 249 HG23 VAL 32 2HG2 VAL 32 2.546 -3.054 0.222 250 H HIS 33 H HIS 33 4.689 -1.882 -0.357 251 HA HIS 33 HA HIS 33 5.548 -4.233 -1.894 252 HB2 HIS 33 2HB HIS 33 7.043 -2.309 -2.413 253 HB3 HIS 33 1HB HIS 33 7.328 -2.091 -0.690 254 HD1 HIS 33 1HD HIS 33 7.428 -5.230 -2.812 255 HD2 HIS 33 2HD HIS 33 9.795 -3.012 -0.252 256 HE1 HIS 33 1HE HIS 33 9.434 -6.575 -2.478 257 HE2 HIS 33 2HE HIS 33 10.794 -5.337 -0.770 258 H LYS 34 H LYS 34 6.758 -5.728 -0.561 259 HA LYS 34 HA LYS 34 5.323 -6.180 1.812 260 HB2 LYS 34 2HB LYS 34 6.070 -8.049 0.495 261 HB3 LYS 34 1HB LYS 34 7.750 -7.602 0.730 262 HG2 LYS 34 2HG LYS 34 7.615 -8.150 3.077 263 HG3 LYS 34 1HG LYS 34 5.881 -8.440 2.934 264 HD2 LYS 34 2HD LYS 34 6.201 -10.199 1.515 265 HD3 LYS 34 1HD LYS 34 7.956 -9.943 1.406 266 HE2 LYS 34 2HE LYS 34 6.353 -10.761 3.851 267 HE3 LYS 34 1HE LYS 34 7.395 -11.823 2.905 268 HZ1 LYS 34 3HZ LYS 34 9.284 -10.378 3.578 269 HZ2 LYS 34 1HZ LYS 34 8.529 -11.124 4.873 270 HZ3 LYS 34 2HZ LYS 34 8.246 -9.501 4.556 271 H SER 35 H SER 35 8.077 -4.380 1.225 272 HA SER 35 HA SER 35 9.414 -4.362 3.685 273 HB2 SER 35 2HB SER 35 10.193 -3.057 1.748 274 HB3 SER 35 1HB SER 35 8.800 -1.985 1.880 275 HG SER 35 HG SER 35 10.185 -2.185 4.206 276 H ALA 36 H ALA 36 6.306 -2.923 2.875 277 HA ALA 36 HA ALA 36 6.060 -1.577 5.369 278 HB1 ALA 36 1HB ALA 36 3.896 -2.435 3.518 279 HB2 ALA 36 2HB ALA 36 4.882 -0.982 3.318 280 HB3 ALA 36 3HB ALA 36 3.847 -1.171 4.766 281 H VAL 37 H VAL 37 5.044 -4.691 4.089 282 HA VAL 37 HA VAL 37 3.551 -5.457 6.366 283 HB VAL 37 HB VAL 37 4.937 -7.301 4.336 284 HG11 VAL 37 1HG1 VAL 37 2.756 -7.926 6.335 285 HG12 VAL 37 2HG1 VAL 37 4.416 -8.361 6.527 286 HG13 VAL 37 3HG1 VAL 37 3.477 -9.056 5.184 287 HG21 VAL 37 3HG2 VAL 37 3.257 -5.803 3.315 288 HG22 VAL 37 1HG2 VAL 37 2.073 -6.338 4.507 289 HG23 VAL 37 2HG2 VAL 37 2.708 -7.480 3.327 290 H ASP 38 H ASP 38 6.856 -5.675 5.365 291 HA ASP 38 HA ASP 38 7.871 -7.298 7.413 292 HB2 ASP 38 2HB ASP 38 9.096 -6.870 5.358 293 HB3 ASP 38 1HB ASP 38 9.205 -5.164 5.759 294 H ALA 39 H ALA 39 7.281 -3.845 7.179 295 HA ALA 39 HA ALA 39 8.579 -3.305 9.684 296 HB1 ALA 39 1HB ALA 39 8.485 -1.633 7.894 297 HB2 ALA 39 2HB ALA 39 7.782 -1.034 9.398 298 HB3 ALA 39 3HB ALA 39 6.734 -1.554 8.078 299 H ALA 40 H ALA 40 5.173 -3.459 8.643 300 HA ALA 40 HA ALA 40 4.305 -2.970 11.386 301 HB1 ALA 40 1HB ALA 40 2.082 -2.740 10.475 302 HB2 ALA 40 2HB ALA 40 2.645 -3.305 8.903 303 HB3 ALA 40 3HB ALA 40 3.223 -1.768 9.545 304 H GLY 41 H GLY 41 4.654 -5.675 9.275 305 HA2 GLY 41 2HA GLY 41 4.234 -7.862 9.513 306 HA3 GLY 41 1HA GLY 41 3.877 -7.647 11.198 307 H LEU 42 H LEU 42 2.574 -6.999 8.028 308 HA LEU 42 HA LEU 42 -0.170 -7.038 8.944 309 HB2 LEU 42 2HB LEU 42 1.130 -5.543 7.176 310 HB3 LEU 42 1HB LEU 42 0.818 -6.894 6.122 311 HG LEU 42 HG LEU 42 -0.727 -5.091 5.788 312 HD11 LEU 42 1HD1 LEU 42 -2.066 -7.480 7.012 313 HD12 LEU 42 2HD1 LEU 42 -1.554 -7.311 5.335 314 HD13 LEU 42 3HD1 LEU 42 -2.848 -6.292 5.962 315 HD21 LEU 42 3HD2 LEU 42 -2.357 -4.438 7.475 316 HD22 LEU 42 1HD2 LEU 42 -0.685 -4.152 7.979 317 HD23 LEU 42 2HD2 LEU 42 -1.575 -5.522 8.632 318 H HIS 43 H HIS 43 -1.631 -8.761 8.223 319 HA HIS 43 HA HIS 43 -0.406 -11.303 7.941 320 HB2 HIS 43 2HB HIS 43 -2.570 -11.104 9.056 321 HB3 HIS 43 1HB HIS 43 -3.316 -10.542 7.569 322 HD1 HIS 43 1HD HIS 43 -4.053 -12.336 5.858 323 HD2 HIS 43 2HD HIS 43 -1.909 -13.877 9.082 324 HE1 HIS 43 1HE HIS 43 -4.263 -14.806 5.684 325 HE2 HIS 43 2HE HIS 43 -3.305 -15.646 7.840 326 H SER 44 H SER 44 -2.500 -9.558 5.614 327 HA SER 44 HA SER 44 -0.909 -10.436 3.418 328 HB2 SER 44 2HB SER 44 -2.709 -11.789 2.369 329 HB3 SER 44 1HB SER 44 -2.089 -12.514 3.849 330 HG SER 44 HG SER 44 -4.578 -11.378 3.314 331 H LEU 45 H LEU 45 -1.915 -9.678 1.353 332 HA LEU 45 HA LEU 45 -3.854 -7.537 1.811 333 HB2 LEU 45 2HB LEU 45 -1.600 -7.485 -0.149 334 HB3 LEU 45 1HB LEU 45 -2.780 -6.244 0.087 335 HG LEU 45 HG LEU 45 -0.719 -6.995 2.172 336 HD11 LEU 45 1HD1 LEU 45 -0.883 -4.617 0.332 337 HD12 LEU 45 2HD1 LEU 45 0.293 -5.925 0.231 338 HD13 LEU 45 3HD1 LEU 45 0.295 -4.842 1.624 339 HD21 LEU 45 3HD2 LEU 45 -2.727 -4.741 2.063 340 HD22 LEU 45 1HD2 LEU 45 -1.491 -4.957 3.300 341 HD23 LEU 45 2HD2 LEU 45 -2.794 -6.135 3.143 342 H GLU 46 H GLU 46 -5.401 -7.483 0.434 343 HA GLU 46 HA GLU 46 -5.289 -8.698 -2.106 344 HB2 GLU 46 2HB GLU 46 -7.285 -10.170 -1.785 345 HB3 GLU 46 1HB GLU 46 -5.849 -10.737 -0.967 346 HG2 GLU 46 2HG GLU 46 -8.186 -9.333 0.349 347 HG3 GLU 46 1HG GLU 46 -7.953 -11.074 0.306 348 H GLU 47 H GLU 47 -6.933 -8.001 -3.567 349 HA GLU 47 HA GLU 47 -7.705 -5.440 -3.291 350 HB2 GLU 47 2HB GLU 47 -7.374 -7.006 -5.277 351 HB3 GLU 47 1HB GLU 47 -8.989 -7.579 -4.921 352 HG2 GLU 47 2HG GLU 47 -8.337 -4.745 -5.541 353 HG3 GLU 47 1HG GLU 47 -8.711 -5.999 -6.730 354 H GLY 48 H GLY 48 -9.418 -4.512 -2.494 355 HA2 GLY 48 2HA GLY 48 -11.832 -4.557 -1.969 356 HA3 GLY 48 1HA GLY 48 -11.579 -6.187 -1.363 357 H GLN 49 H GLN 49 -9.003 -5.337 -0.121 358 HA GLN 49 HA GLN 49 -10.167 -4.533 2.349 359 HB2 GLN 49 2HB GLN 49 -7.502 -5.479 1.500 360 HB3 GLN 49 1HB GLN 49 -7.628 -4.606 3.016 361 HG2 GLN 49 2HG GLN 49 -9.438 -6.872 2.408 362 HG3 GLN 49 1HG GLN 49 -7.805 -7.194 3.024 363 HE21 GLN 49 1HE2 GLN 49 -9.777 -4.418 3.993 364 HE22 GLN 49 2HE2 GLN 49 -10.059 -4.959 5.596 365 H ASP 50 H ASP 50 -10.541 -2.537 2.869 366 HA ASP 50 HA ASP 50 -9.064 -0.328 1.848 367 HB2 ASP 50 2HB ASP 50 -10.835 -0.490 4.325 368 HB3 ASP 50 1HB ASP 50 -10.149 0.996 3.689 369 H VAL 51 H VAL 51 -7.278 0.573 2.667 370 HA VAL 51 HA VAL 51 -6.207 -0.656 5.045 371 HB VAL 51 HB VAL 51 -5.414 -1.886 3.118 372 HG11 VAL 51 1HG1 VAL 51 -5.394 -0.194 1.395 373 HG12 VAL 51 2HG1 VAL 51 -3.813 -0.927 1.517 374 HG13 VAL 51 3HG1 VAL 51 -4.102 0.664 2.228 375 HG21 VAL 51 3HG2 VAL 51 -3.274 -0.344 4.550 376 HG22 VAL 51 1HG2 VAL 51 -3.013 -1.873 3.681 377 HG23 VAL 51 2HG2 VAL 51 -4.105 -1.805 5.082 378 H ILE 52 H ILE 52 -4.753 0.487 6.076 379 HA ILE 52 HA ILE 52 -4.757 3.407 5.609 380 HB ILE 52 HB ILE 52 -4.416 1.846 8.191 381 HG12 ILE 52 2HG1 ILE 52 -6.851 3.407 7.306 382 HG13 ILE 52 1HG1 ILE 52 -6.690 1.678 7.056 383 HG21 ILE 52 1HG2 ILE 52 -4.755 4.053 9.270 384 HG22 ILE 52 2HG2 ILE 52 -4.857 4.801 7.681 385 HG23 ILE 52 3HG2 ILE 52 -3.347 4.078 8.214 386 HD11 ILE 52 3HD1 ILE 52 -6.551 1.331 9.428 387 HD12 ILE 52 1HD1 ILE 52 -8.031 2.155 8.990 388 HD13 ILE 52 2HD1 ILE 52 -6.707 3.078 9.731 389 H PHE 53 H PHE 53 -2.719 4.228 5.215 390 HA PHE 53 HA PHE 53 -0.404 2.798 6.248 391 HB2 PHE 53 2HB PHE 53 0.665 2.889 4.011 392 HB3 PHE 53 1HB PHE 53 -0.599 1.693 4.061 393 HD1 PHE 53 1HD PHE 53 -2.803 2.264 2.965 394 HD2 PHE 53 2HD PHE 53 0.638 4.741 2.535 395 HE1 PHE 53 1HE PHE 53 -3.793 3.305 0.997 396 HE2 PHE 53 2HE PHE 53 -0.351 5.771 0.569 397 HZ PHE 53 HZ PHE 53 -2.559 5.058 -0.218 398 H ASP 54 H ASP 54 1.623 4.044 5.430 399 HA ASP 54 HA ASP 54 1.039 6.904 5.388 400 HB2 ASP 54 2HB ASP 54 3.543 5.491 6.404 401 HB3 ASP 54 1HB ASP 54 3.351 7.232 6.282 402 H LEU 55 H LEU 55 2.719 8.016 4.073 403 HA LEU 55 HA LEU 55 3.613 6.240 1.953 404 HB2 LEU 55 2HB LEU 55 1.551 7.096 1.193 405 HB3 LEU 55 1HB LEU 55 2.010 8.707 1.702 406 HG LEU 55 HG LEU 55 3.404 9.003 -0.220 407 HD11 LEU 55 1HD1 LEU 55 4.413 6.770 -0.137 408 HD12 LEU 55 2HD1 LEU 55 3.896 7.214 -1.752 409 HD13 LEU 55 3HD1 LEU 55 2.933 6.088 -0.784 410 HD21 LEU 55 3HD2 LEU 55 1.861 8.628 -2.042 411 HD22 LEU 55 1HD2 LEU 55 0.980 9.175 -0.619 412 HD23 LEU 55 2HD2 LEU 55 0.943 7.467 -1.088 413 H GLU 56 H GLU 56 5.448 6.468 1.337 414 HA GLU 56 HA GLU 56 6.980 8.914 1.831 415 HB2 GLU 56 2HB GLU 56 7.947 6.049 1.784 416 HB3 GLU 56 1HB GLU 56 9.003 7.447 1.871 417 HG2 GLU 56 2HG GLU 56 7.952 8.075 4.013 418 HG3 GLU 56 1HG GLU 56 6.957 6.626 3.924 419 H GLU 57 H GLU 57 8.399 9.532 0.184 420 HA GLU 57 HA GLU 57 7.302 8.891 -2.433 421 HB2 GLU 57 2HB GLU 57 7.332 11.191 -1.664 422 HB3 GLU 57 1HB GLU 57 9.070 11.111 -1.457 423 HG2 GLU 57 2HG GLU 57 9.317 10.806 -3.878 424 HG3 GLU 57 1HG GLU 57 7.565 10.945 -4.053 425 H LYS 58 H LYS 58 8.444 7.992 -4.034 426 HA LYS 58 HA LYS 58 11.300 7.604 -3.603 427 HB2 LYS 58 2HB LYS 58 10.036 5.449 -3.565 428 HB3 LYS 58 1HB LYS 58 9.437 5.798 -5.178 429 HG2 LYS 58 2HG LYS 58 11.663 5.683 -6.063 430 HG3 LYS 58 1HG LYS 58 12.336 5.430 -4.448 431 HD2 LYS 58 2HD LYS 58 11.042 3.339 -4.286 432 HD3 LYS 58 1HD LYS 58 10.445 3.606 -5.927 433 HE2 LYS 58 2HE LYS 58 12.724 3.545 -6.780 434 HE3 LYS 58 1HE LYS 58 13.345 3.320 -5.148 435 HZ1 LYS 58 3HZ LYS 58 11.576 1.447 -6.610 436 HZ2 LYS 58 1HZ LYS 58 12.192 1.189 -5.051 437 HZ3 LYS 58 2HZ LYS 58 13.234 1.249 -6.372 438 H GLN 59 H GLN 59 11.429 9.707 -4.460 439 HA GLN 59 HA GLN 59 11.965 11.238 -6.005 440 HB2 GLN 59 2HB GLN 59 13.421 9.467 -6.913 441 HB3 GLN 59 1HB GLN 59 12.101 8.900 -7.923 442 HG2 GLN 59 2HG GLN 59 13.713 10.216 -9.192 443 HG3 GLN 59 1HG GLN 59 12.135 10.997 -9.161 444 HE21 GLN 59 1HE2 GLN 59 13.027 12.994 -9.605 445 HE22 GLN 59 2HE2 GLN 59 13.935 13.892 -8.450 446 H GLY 60 H GLY 60 10.039 9.105 -8.059 447 HA2 GLY 60 2HA GLY 60 8.018 11.234 -8.183 448 HA3 GLY 60 1HA GLY 60 8.564 10.439 -9.658 449 H LYS 61 H LYS 61 8.691 8.164 -7.344 450 HA LYS 61 HA LYS 61 6.026 7.188 -7.993 451 HB2 LYS 61 2HB LYS 61 8.443 5.688 -6.957 452 HB3 LYS 61 1HB LYS 61 6.893 4.999 -7.408 453 HG2 LYS 61 2HG LYS 61 8.622 6.450 -9.389 454 HG3 LYS 61 1HG LYS 61 8.843 4.748 -9.022 455 HD2 LYS 61 2HD LYS 61 7.515 5.033 -11.059 456 HD3 LYS 61 1HD LYS 61 6.559 4.284 -9.793 457 HE2 LYS 61 2HE LYS 61 5.361 6.321 -9.417 458 HE3 LYS 61 1HE LYS 61 6.423 7.234 -10.515 459 HZ1 LYS 61 3HZ LYS 61 5.529 5.858 -12.300 460 HZ2 LYS 61 1HZ LYS 61 4.307 6.669 -11.501 461 HZ3 LYS 61 2HZ LYS 61 4.555 5.029 -11.225 462 H ALA 62 H ALA 62 5.050 5.876 -6.228 463 HA ALA 62 HA ALA 62 5.545 7.151 -3.635 464 HB1 ALA 62 1HB ALA 62 3.663 8.210 -4.717 465 HB2 ALA 62 2HB ALA 62 3.045 7.220 -3.398 466 HB3 ALA 62 3HB ALA 62 2.931 6.649 -5.054 467 H TYR 63 H TYR 63 5.810 5.607 -2.034 468 HA TYR 63 HA TYR 63 4.568 3.029 -2.556 469 HB2 TYR 63 2HB TYR 63 6.414 1.878 -1.397 470 HB3 TYR 63 1HB TYR 63 6.869 2.638 -2.906 471 HD1 TYR 63 2HD TYR 63 8.261 4.756 -2.790 472 HD2 TYR 63 1HD TYR 63 7.435 2.419 0.638 473 HE1 TYR 63 2HE TYR 63 10.138 5.850 -1.593 474 HE2 TYR 63 1HE TYR 63 9.290 3.500 1.842 475 HH TYR 63 HH TYR 63 10.830 6.296 0.710 476 H ALA 64 H ALA 64 3.426 2.192 -1.173 477 HA ALA 64 HA ALA 64 2.628 3.604 1.279 478 HB1 ALA 64 1HB ALA 64 0.925 1.879 1.435 479 HB2 ALA 64 2HB ALA 64 1.666 0.983 0.107 480 HB3 ALA 64 3HB ALA 64 0.942 2.567 -0.182 481 H VAL 65 H VAL 65 3.148 3.243 3.184 482 HA VAL 65 HA VAL 65 4.568 0.806 3.922 483 HB VAL 65 HB VAL 65 6.185 2.139 5.271 484 HG11 VAL 65 1HG1 VAL 65 6.875 1.334 3.098 485 HG12 VAL 65 2HG1 VAL 65 7.582 2.924 3.410 486 HG13 VAL 65 3HG1 VAL 65 6.194 2.768 2.339 487 HG21 VAL 65 3HG2 VAL 65 5.001 4.499 3.809 488 HG22 VAL 65 1HG2 VAL 65 6.454 4.547 4.809 489 HG23 VAL 65 2HG2 VAL 65 4.889 4.178 5.539 490 H ASN 66 H ASN 66 4.758 0.756 6.400 491 HA ASN 66 HA ASN 66 3.602 0.473 8.336 492 HB2 ASN 66 2HB ASN 66 4.224 2.953 8.472 493 HB3 ASN 66 1HB ASN 66 2.659 3.276 7.816 494 HD21 ASN 66 1HD2 ASN 66 2.183 4.468 9.654 495 HD22 ASN 66 2HD2 ASN 66 1.646 3.718 11.126 496 H LEU 67 H LEU 67 2.259 -0.999 6.948 497 HA LEU 67 HA LEU 67 -0.332 0.013 6.222 498 HB2 LEU 67 2HB LEU 67 0.672 -2.803 6.141 499 HB3 LEU 67 1HB LEU 67 -0.822 -2.219 5.455 500 HG LEU 67 HG LEU 67 1.982 -1.690 4.465 501 HD11 LEU 67 1HD1 LEU 67 0.952 -3.786 3.965 502 HD12 LEU 67 2HD1 LEU 67 1.188 -2.713 2.552 503 HD13 LEU 67 3HD1 LEU 67 -0.413 -2.833 3.295 504 HD21 LEU 67 3HD2 LEU 67 -0.607 -0.455 3.541 505 HD22 LEU 67 1HD2 LEU 67 0.960 -0.359 2.715 506 HD23 LEU 67 2HD2 LEU 67 0.767 0.374 4.301 507 H ARG 68 H ARG 68 -2.218 -0.513 7.046 508 HA ARG 68 HA ARG 68 -2.505 -2.411 9.231 509 HB2 ARG 68 2HB ARG 68 -2.132 -0.134 10.254 510 HB3 ARG 68 1HB ARG 68 -3.543 0.457 9.373 511 HG2 ARG 68 2HG ARG 68 -4.187 0.021 11.597 512 HG3 ARG 68 1HG ARG 68 -4.825 -1.315 10.632 513 HD2 ARG 68 2HD ARG 68 -3.785 -2.140 12.663 514 HD3 ARG 68 1HD ARG 68 -2.894 -2.668 11.222 515 HE ARG 68 HE ARG 68 -1.900 -0.249 12.347 516 HH11 ARG 68 1HH1 ARG 68 -1.732 -3.773 12.648 517 HH12 ARG 68 2HH1 ARG 68 -0.186 -3.813 13.338 518 HH21 ARG 68 1HH2 ARG 68 0.254 -0.283 13.312 519 HH22 ARG 68 2HH2 ARG 68 0.990 -1.741 13.739 520 H ILE 69 H ILE 69 -4.447 -3.507 8.775 521 HA ILE 69 HA ILE 69 -5.906 -2.313 6.576 522 HB ILE 69 HB ILE 69 -6.950 -4.558 6.168 523 HG12 ILE 69 2HG1 ILE 69 -5.634 -6.579 6.962 524 HG13 ILE 69 1HG1 ILE 69 -4.854 -5.537 8.135 525 HG21 ILE 69 1HG2 ILE 69 -5.021 -5.498 5.011 526 HG22 ILE 69 2HG2 ILE 69 -3.988 -4.343 5.856 527 HG23 ILE 69 3HG2 ILE 69 -5.236 -3.768 4.749 528 HD11 ILE 69 3HD1 ILE 69 -7.791 -6.146 7.972 529 HD12 ILE 69 1HD1 ILE 69 -7.023 -5.125 9.185 530 HD13 ILE 69 2HD1 ILE 69 -6.650 -6.853 9.117 531 H LYS 70 H LYS 70 -8.050 -2.126 6.454 532 HA LYS 70 HA LYS 70 -9.430 -1.746 8.896 533 HB2 LYS 70 2HB LYS 70 -9.928 -0.380 6.902 534 HB3 LYS 70 1HB LYS 70 -10.480 -1.820 6.057 535 HG2 LYS 70 2HG LYS 70 -12.230 -2.111 7.675 536 HG3 LYS 70 1HG LYS 70 -11.703 -0.650 8.514 537 HD2 LYS 70 2HD LYS 70 -12.180 0.674 6.512 538 HD3 LYS 70 1HD LYS 70 -12.683 -0.791 5.660 539 HE2 LYS 70 2HE LYS 70 -14.446 -1.135 7.291 540 HE3 LYS 70 1HE LYS 70 -13.958 0.330 8.142 541 HZ1 LYS 70 3HZ LYS 70 -15.851 0.755 6.693 542 HZ2 LYS 70 1HZ LYS 70 -14.993 0.212 5.353 543 HZ3 LYS 70 2HZ LYS 70 -14.511 1.604 6.150
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