NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
634880 | 5z4b | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -17.104 0.351 1.911 2 HA MET 1 HA MET 1 -16.480 -0.061 -0.384 3 HB2 MET 1 HB2 MET 1 -14.851 2.077 -0.172 4 HB3 MET 1 HB3 MET 1 -13.649 0.835 0.112 5 HG2 MET 1 HG2 MET 1 -13.681 1.156 -2.201 6 HG3 MET 1 HG3 MET 1 -14.568 -0.352 -1.970 7 HE1 MET 1 HE1 MET 1 -15.930 1.481 -5.152 8 HE2 MET 1 HE2 MET 1 -14.453 0.753 -4.503 9 HE3 MET 1 HE3 MET 1 -15.969 -0.177 -4.510 10 H GLY 2 H GLY 2 -13.581 -0.302 1.992 11 HA2 GLY 2 HA2 GLY 2 -14.238 -2.755 2.937 12 HA3 GLY 2 HA3 GLY 2 -13.318 -3.040 1.425 13 H THR 3 H THR 3 -11.894 -3.980 3.220 14 HA THR 3 HA THR 3 -10.137 -1.921 4.379 15 HB THR 3 HB THR 3 -10.937 -3.226 6.139 16 HG1 THR 3 HG1 THR 3 -8.981 -3.287 6.758 17 HG21 THR 3 HG21 THR 3 -11.915 -5.148 4.955 18 HG22 THR 3 HG22 THR 3 -10.306 -5.780 4.637 19 HG23 THR 3 HG23 THR 3 -10.888 -5.646 6.310 20 H TYR 4 H TYR 4 -7.970 -1.932 3.752 21 HA TYR 4 HA TYR 4 -7.178 -3.761 1.542 22 HB2 TYR 4 HB2 TYR 4 -6.818 -0.762 1.630 23 HB3 TYR 4 HB3 TYR 4 -6.260 -1.839 0.374 24 HD1 TYR 4 HD1 TYR 4 -7.762 -2.574 -1.399 25 HD2 TYR 4 HD2 TYR 4 -9.356 -0.177 1.853 26 HE1 TYR 4 HE1 TYR 4 -9.777 -2.015 -2.744 27 HE2 TYR 4 HE2 TYR 4 -11.264 0.405 0.466 28 HH TYR 4 HH TYR 4 -11.554 -0.543 -2.931 29 H LYS 5 H LYS 5 -5.094 -4.695 1.912 30 HA LYS 5 HA LYS 5 -3.556 -3.502 4.170 31 HB2 LYS 5 HB2 LYS 5 -4.269 -5.943 4.102 32 HB3 LYS 5 HB3 LYS 5 -3.047 -6.139 2.834 33 HG2 LYS 5 HG2 LYS 5 -1.323 -5.212 4.370 34 HG3 LYS 5 HG3 LYS 5 -2.555 -5.135 5.660 35 HD2 LYS 5 HD2 LYS 5 -2.807 -7.586 5.537 36 HD3 LYS 5 HD3 LYS 5 -1.606 -7.655 4.241 37 HE2 LYS 5 HE2 LYS 5 0.003 -6.497 5.890 38 HE3 LYS 5 HE3 LYS 5 -1.202 -6.821 7.144 39 HZ1 LYS 5 HZ1 LYS 5 -0.934 -9.187 6.673 40 HZ2 LYS 5 HZ2 LYS 5 0.166 -8.861 5.500 41 HZ3 LYS 5 HZ3 LYS 5 0.512 -8.465 7.061 42 H LEU 6 H LEU 6 -1.597 -2.494 3.883 43 HA LEU 6 HA LEU 6 -0.320 -2.524 1.216 44 HB2 LEU 6 HB2 LEU 6 -1.728 -0.460 2.007 45 HB3 LEU 6 HB3 LEU 6 -0.243 -0.009 2.862 46 HG LEU 6 HG LEU 6 -0.579 -0.613 -0.130 47 HD11 LEU 6 HD11 LEU 6 -0.259 2.056 1.302 48 HD12 LEU 6 HD12 LEU 6 -0.443 1.804 -0.451 49 HD13 LEU 6 HD13 LEU 6 -1.766 1.391 0.654 50 HD21 LEU 6 HD21 LEU 6 1.818 0.440 1.401 51 HD22 LEU 6 HD22 LEU 6 1.746 -1.030 0.422 52 HD23 LEU 6 HD23 LEU 6 1.644 0.536 -0.368 53 H ILE 7 H ILE 7 1.742 -3.398 1.367 54 HA ILE 7 HA ILE 7 3.399 -2.811 3.681 55 HB ILE 7 HB ILE 7 2.962 -4.988 4.113 56 HG12 ILE 7 HG12 ILE 7 5.272 -5.358 2.155 57 HG13 ILE 7 HG13 ILE 7 5.462 -4.537 3.699 58 HG21 ILE 7 HG21 ILE 7 2.783 -6.819 2.430 59 HG22 ILE 7 HG22 ILE 7 1.521 -5.489 2.216 60 HG23 ILE 7 HG23 ILE 7 2.912 -5.651 1.204 61 HD11 ILE 7 HD11 ILE 7 4.599 -7.421 3.561 62 HD12 ILE 7 HD12 ILE 7 6.211 -6.862 3.778 63 HD13 ILE 7 HD13 ILE 7 5.010 -6.496 5.015 64 H LEU 8 H LEU 8 5.457 -2.053 3.283 65 HA LEU 8 HA LEU 8 6.330 -1.825 0.469 66 HB2 LEU 8 HB2 LEU 8 6.934 0.098 2.714 67 HB3 LEU 8 HB3 LEU 8 7.518 0.209 1.069 68 HG LEU 8 HG LEU 8 5.825 1.822 1.238 69 HD11 LEU 8 HD11 LEU 8 4.513 -0.625 -0.056 70 HD12 LEU 8 HD12 LEU 8 3.953 1.026 -0.241 71 HD13 LEU 8 HD13 LEU 8 5.527 0.605 -0.843 72 HD21 LEU 8 HD21 LEU 8 3.866 -0.112 2.504 73 HD22 LEU 8 HD22 LEU 8 4.828 1.101 3.358 74 HD23 LEU 8 HD23 LEU 8 3.650 1.617 2.171 75 H ASN 9 H ASN 9 8.479 -2.310 -0.003 76 HA ASN 9 HA ASN 9 10.136 -3.385 2.204 77 HB2 ASN 9 HB2 ASN 9 9.641 -4.771 -0.434 78 HB3 ASN 9 HB3 ASN 9 10.850 -5.233 0.743 79 HD21 ASN 9 HD21 ASN 9 7.126 -6.582 1.219 80 HD22 ASN 9 HD22 ASN 9 7.578 -5.585 -0.163 81 H GLY 10 H GLY 10 11.145 -1.139 1.987 82 HA2 GLY 10 HA2 GLY 10 12.670 -0.615 -0.410 83 HA3 GLY 10 HA3 GLY 10 12.820 0.206 1.137 84 H LYS 11 H LYS 11 15.081 -0.385 -0.286 85 HA LYS 11 HA LYS 11 16.338 -2.859 0.125 86 HB2 LYS 11 HB2 LYS 11 17.144 -1.000 -1.258 87 HB3 LYS 11 HB3 LYS 11 17.607 -0.080 0.175 88 HG2 LYS 11 HG2 LYS 11 19.355 -1.769 0.679 89 HG3 LYS 11 HG3 LYS 11 18.814 -2.740 -0.709 90 HD2 LYS 11 HD2 LYS 11 19.206 -0.643 -2.151 91 HD3 LYS 11 HD3 LYS 11 20.017 0.076 -0.766 92 HE2 LYS 11 HE2 LYS 11 20.814 -2.463 -2.260 93 HE3 LYS 11 HE3 LYS 11 21.563 -0.880 -2.426 94 HZ1 LYS 11 HZ1 LYS 11 22.931 -2.019 -1.025 95 HZ2 LYS 11 HZ2 LYS 11 22.091 -1.150 0.050 96 HZ3 LYS 11 HZ3 LYS 11 21.746 -2.768 -0.198 97 H THR 12 H THR 12 16.227 -0.079 2.307 98 HA THR 12 HA THR 12 17.049 -1.802 4.571 99 HB THR 12 HB THR 12 18.918 -0.438 3.861 100 HG1 THR 12 HG1 THR 12 17.674 0.070 6.313 101 HG21 THR 12 HG21 THR 12 17.271 2.013 4.612 102 HG22 THR 12 HG22 THR 12 18.981 1.962 4.137 103 HG23 THR 12 HG23 THR 12 17.740 1.556 2.958 104 H LEU 13 H LEU 13 14.249 -0.787 3.477 105 HA LEU 13 HA LEU 13 13.351 0.185 6.133 106 HB2 LEU 13 HB2 LEU 13 12.623 1.285 3.401 107 HB3 LEU 13 HB3 LEU 13 11.629 1.552 4.829 108 HG LEU 13 HG LEU 13 14.545 2.401 4.671 109 HD11 LEU 13 HD11 LEU 13 13.184 3.549 2.938 110 HD12 LEU 13 HD12 LEU 13 12.050 4.079 4.191 111 HD13 LEU 13 HD13 LEU 13 13.723 4.660 4.223 112 HD21 LEU 13 HD21 LEU 13 13.898 3.912 6.541 113 HD22 LEU 13 HD22 LEU 13 12.273 3.203 6.556 114 HD23 LEU 13 HD23 LEU 13 13.691 2.219 6.982 115 H LYS 14 H LYS 14 11.311 -0.508 6.743 116 HA LYS 14 HA LYS 14 9.780 -2.267 4.985 117 HB2 LYS 14 HB2 LYS 14 11.134 -3.236 7.545 118 HB3 LYS 14 HB3 LYS 14 9.589 -3.911 7.007 119 HG2 LYS 14 HG2 LYS 14 10.652 -4.277 4.725 120 HG3 LYS 14 HG3 LYS 14 12.218 -3.934 5.484 121 HD2 LYS 14 HD2 LYS 14 12.092 -5.893 6.845 122 HD3 LYS 14 HD3 LYS 14 10.345 -6.048 6.623 123 HE2 LYS 14 HE2 LYS 14 11.613 -7.712 5.275 124 HE3 LYS 14 HE3 LYS 14 10.546 -6.668 4.331 125 HZ1 LYS 14 HZ1 LYS 14 12.449 -5.359 3.703 126 HZ2 LYS 14 HZ2 LYS 14 13.461 -6.296 4.591 127 HZ3 LYS 14 HZ3 LYS 14 12.669 -6.929 3.280 128 H GLY 15 H GLY 15 7.684 -2.828 5.948 129 HA2 GLY 15 HA2 GLY 15 6.499 -1.822 8.209 130 HA3 GLY 15 HA3 GLY 15 6.322 -0.515 7.007 131 H GLU 16 H GLU 16 4.130 -2.178 8.159 132 HA GLU 16 HA GLU 16 2.908 -2.992 5.681 133 HB2 GLU 16 HB2 GLU 16 2.207 -5.124 6.275 134 HB3 GLU 16 HB3 GLU 16 3.954 -5.097 6.506 135 HG2 GLU 16 HG2 GLU 16 3.655 -4.999 8.947 136 HG3 GLU 16 HG3 GLU 16 1.886 -4.950 8.728 137 H THR 17 H THR 17 0.701 -2.482 5.739 138 HA THR 17 HA THR 17 -0.438 -1.528 8.328 139 HB THR 17 HB THR 17 0.268 -0.145 5.726 140 HG1 THR 17 HG1 THR 17 1.474 -0.353 7.913 141 HG21 THR 17 HG21 THR 17 -0.835 1.920 6.234 142 HG22 THR 17 HG22 THR 17 -2.013 0.632 6.089 143 HG23 THR 17 HG23 THR 17 -1.507 1.250 7.714 144 H THR 18 H THR 18 -2.738 -1.080 8.075 145 HA THR 18 HA THR 18 -4.111 -2.275 5.793 146 HB THR 18 HB THR 18 -3.744 -3.981 7.757 147 HG1 THR 18 HG1 THR 18 -5.601 -4.926 7.076 148 HG21 THR 18 HG21 THR 18 -5.491 -4.052 9.427 149 HG22 THR 18 HG22 THR 18 -4.654 -2.499 9.589 150 HG23 THR 18 HG23 THR 18 -6.245 -2.579 8.789 151 H THR 19 H THR 19 -5.990 -1.109 5.344 152 HA THR 19 HA THR 19 -6.697 1.139 7.120 153 HB THR 19 HB THR 19 -6.841 2.540 5.018 154 HG1 THR 19 HG1 THR 19 -4.878 0.740 4.086 155 HG21 THR 19 HG21 THR 19 -4.448 3.171 5.041 156 HG22 THR 19 HG22 THR 19 -5.099 2.951 6.679 157 HG23 THR 19 HG23 THR 19 -4.080 1.691 5.947 158 H GLU 20 H GLU 20 -8.788 2.108 6.406 159 HA GLU 20 HA GLU 20 -10.635 0.245 5.051 160 HB2 GLU 20 HB2 GLU 20 -10.835 0.064 7.546 161 HB3 GLU 20 HB3 GLU 20 -11.048 1.817 7.636 162 HG2 GLU 20 HG2 GLU 20 -13.163 1.638 6.355 163 HG3 GLU 20 HG3 GLU 20 -12.930 -0.109 6.203 164 H ALA 21 H ALA 21 -12.224 1.488 3.806 165 HA ALA 21 HA ALA 21 -11.982 4.429 3.885 166 HB1 ALA 21 HB1 ALA 21 -11.575 4.571 1.473 167 HB2 ALA 21 HB2 ALA 21 -10.269 3.642 2.220 168 HB3 ALA 21 HB3 ALA 21 -11.550 2.801 1.332 169 H VAL 22 H VAL 22 -13.819 5.443 3.254 170 HA VAL 22 HA VAL 22 -16.285 4.077 3.263 171 HB VAL 22 HB VAL 22 -17.205 6.324 2.632 172 HG11 VAL 22 HG11 VAL 22 -15.126 6.388 4.869 173 HG12 VAL 22 HG12 VAL 22 -16.590 7.400 4.716 174 HG13 VAL 22 HG13 VAL 22 -16.739 5.655 4.978 175 HG21 VAL 22 HG21 VAL 22 -14.280 7.260 2.637 176 HG22 VAL 22 HG22 VAL 22 -15.391 7.287 1.248 177 HG23 VAL 22 HG23 VAL 22 -15.708 8.298 2.646 178 H ASP 23 H ASP 23 -14.415 5.520 0.586 179 HA ASP 23 HA ASP 23 -15.662 3.700 -1.378 180 HB2 ASP 23 HB2 ASP 23 -16.936 5.695 -1.586 181 HB3 ASP 23 HB3 ASP 23 -15.516 6.715 -1.450 182 H ALA 24 H ALA 24 -14.043 3.387 -3.205 183 HA ALA 24 HA ALA 24 -11.436 3.188 -2.168 184 HB1 ALA 24 HB1 ALA 24 -10.801 2.312 -4.353 185 HB2 ALA 24 HB2 ALA 24 -12.261 1.581 -3.741 186 HB3 ALA 24 HB3 ALA 24 -12.376 2.804 -5.032 187 H ALA 25 H ALA 25 -12.721 6.024 -3.790 188 HA ALA 25 HA ALA 25 -10.344 6.916 -5.023 189 HB1 ALA 25 HB1 ALA 25 -12.604 8.084 -5.112 190 HB2 ALA 25 HB2 ALA 25 -12.191 8.804 -3.529 191 HB3 ALA 25 HB3 ALA 25 -11.179 9.125 -4.929 192 H THR 26 H THR 26 -11.311 7.367 -1.566 193 HA THR 26 HA THR 26 -8.968 8.843 -0.890 194 HB THR 26 HB THR 26 -10.601 7.105 1.002 195 HG1 THR 26 HG1 THR 26 -11.973 8.545 -0.060 196 HG21 THR 26 HG21 THR 26 -8.885 9.602 1.432 197 HG22 THR 26 HG22 THR 26 -9.897 8.844 2.673 198 HG23 THR 26 HG23 THR 26 -8.519 7.966 2.020 199 H ALA 27 H ALA 27 -9.589 5.316 -1.144 200 HA ALA 27 HA ALA 27 -7.271 4.495 0.312 201 HB1 ALA 27 HB1 ALA 27 -8.681 3.016 -1.953 202 HB2 ALA 27 HB2 ALA 27 -7.569 2.343 -0.743 203 HB3 ALA 27 HB3 ALA 27 -9.146 2.959 -0.229 204 H GLU 28 H GLU 28 -7.856 4.963 -3.246 205 HA GLU 28 HA GLU 28 -5.162 4.450 -3.980 206 HB2 GLU 28 HB2 GLU 28 -6.995 4.484 -5.601 207 HB3 GLU 28 HB3 GLU 28 -7.237 6.211 -5.337 208 HG2 GLU 28 HG2 GLU 28 -5.012 6.714 -6.251 209 HG3 GLU 28 HG3 GLU 28 -4.626 4.992 -6.354 210 H LYS 29 H LYS 29 -6.738 7.477 -2.983 211 HA LYS 29 HA LYS 29 -4.554 9.245 -3.493 212 HB2 LYS 29 HB2 LYS 29 -6.758 10.113 -3.104 213 HB3 LYS 29 HB3 LYS 29 -6.902 9.284 -1.557 214 HG2 LYS 29 HG2 LYS 29 -5.209 10.731 -0.538 215 HG3 LYS 29 HG3 LYS 29 -4.938 11.533 -2.095 216 HD2 LYS 29 HD2 LYS 29 -7.338 12.225 -2.095 217 HD3 LYS 29 HD3 LYS 29 -7.535 11.483 -0.487 218 HE2 LYS 29 HE2 LYS 29 -5.848 13.002 0.454 219 HE3 LYS 29 HE3 LYS 29 -5.500 13.640 -1.161 220 HZ1 LYS 29 HZ1 LYS 29 -7.675 14.292 0.588 221 HZ2 LYS 29 HZ2 LYS 29 -6.951 15.168 -0.609 222 HZ3 LYS 29 HZ3 LYS 29 -8.121 14.050 -0.977 223 H VAL 30 H VAL 30 -5.531 7.554 -0.465 224 HA VAL 30 HA VAL 30 -3.297 8.548 0.945 225 HB VAL 30 HB VAL 30 -5.556 7.564 1.836 226 HG11 VAL 30 HG11 VAL 30 -5.304 5.335 2.870 227 HG12 VAL 30 HG12 VAL 30 -5.358 5.241 1.122 228 HG13 VAL 30 HG13 VAL 30 -3.823 5.066 1.987 229 HG21 VAL 30 HG21 VAL 30 -4.501 7.358 4.018 230 HG22 VAL 30 HG22 VAL 30 -2.912 7.201 3.271 231 HG23 VAL 30 HG23 VAL 30 -3.850 8.709 3.130 232 H PHE 31 H PHE 31 -3.689 5.592 -1.107 233 HA PHE 31 HA PHE 31 -1.410 4.263 -0.255 234 HB2 PHE 31 HB2 PHE 31 -2.630 4.508 -3.020 235 HB3 PHE 31 HB3 PHE 31 -1.261 3.490 -2.688 236 HD1 PHE 31 HD1 PHE 31 -3.506 3.333 0.190 237 HD2 PHE 31 HD2 PHE 31 -2.920 1.957 -3.860 238 HE1 PHE 31 HE1 PHE 31 -4.958 1.399 0.638 239 HE2 PHE 31 HE2 PHE 31 -4.341 0.012 -3.397 240 HZ PHE 31 HZ PHE 31 -5.352 -0.304 -1.141 241 H LYS 32 H LYS 32 -1.434 6.954 -2.718 242 HA LYS 32 HA LYS 32 1.407 6.636 -3.199 243 HB2 LYS 32 HB2 LYS 32 0.043 7.803 -4.800 244 HB3 LYS 32 HB3 LYS 32 -0.413 9.045 -3.626 245 HG2 LYS 32 HG2 LYS 32 1.872 9.897 -3.560 246 HG3 LYS 32 HG3 LYS 32 2.457 8.553 -4.560 247 HD2 LYS 32 HD2 LYS 32 1.231 9.350 -6.487 248 HD3 LYS 32 HD3 LYS 32 0.384 10.569 -5.514 249 HE2 LYS 32 HE2 LYS 32 2.599 11.662 -5.046 250 HE3 LYS 32 HE3 LYS 32 3.372 10.490 -6.114 251 HZ1 LYS 32 HZ1 LYS 32 2.037 11.358 -7.938 252 HZ2 LYS 32 HZ2 LYS 32 1.296 12.439 -6.937 253 HZ3 LYS 32 HZ3 LYS 32 2.897 12.565 -7.256 254 H GLN 33 H GLN 33 -0.319 8.934 -1.012 255 HA GLN 33 HA GLN 33 2.102 10.071 0.012 256 HB2 GLN 33 HB2 GLN 33 0.135 11.298 0.358 257 HB3 GLN 33 HB3 GLN 33 -0.767 9.937 0.991 258 HG2 GLN 33 HG2 GLN 33 1.606 11.148 2.496 259 HG3 GLN 33 HG3 GLN 33 -0.023 11.781 2.655 260 HE21 GLN 33 HE21 GLN 33 -1.258 8.677 4.275 261 HE22 GLN 33 HE22 GLN 33 -1.578 9.384 2.700 262 H TYR 34 H TYR 34 0.026 7.485 1.308 263 HA TYR 34 HA TYR 34 1.293 7.034 3.693 264 HB2 TYR 34 HB2 TYR 34 -0.888 6.084 3.026 265 HB3 TYR 34 HB3 TYR 34 -0.058 4.918 1.964 266 HD1 TYR 34 HD1 TYR 34 1.094 2.973 2.991 267 HD2 TYR 34 HD2 TYR 34 -0.521 6.126 5.410 268 HE1 TYR 34 HE1 TYR 34 2.038 1.909 4.921 269 HE2 TYR 34 HE2 TYR 34 0.405 5.028 7.430 270 HH TYR 34 HH TYR 34 1.577 1.929 7.521 271 H ALA 35 H ALA 35 1.874 5.293 0.600 272 HA ALA 35 HA ALA 35 4.080 3.819 1.657 273 HB1 ALA 35 HB1 ALA 35 3.145 4.393 -1.170 274 HB2 ALA 35 HB2 ALA 35 4.284 3.130 -0.672 275 HB3 ALA 35 HB3 ALA 35 2.615 3.053 -0.086 276 H ASN 36 H ASN 36 3.915 6.879 -0.323 277 HA ASN 36 HA ASN 36 6.666 6.939 -0.857 278 HB2 ASN 36 HB2 ASN 36 4.911 8.314 -1.944 279 HB3 ASN 36 HB3 ASN 36 4.958 9.386 -0.521 280 HD21 ASN 36 HD21 ASN 36 8.216 9.085 -3.157 281 HD22 ASN 36 HD22 ASN 36 7.178 7.745 -2.890 282 H ASP 37 H ASP 37 5.075 7.843 2.153 283 HA ASP 37 HA ASP 37 7.300 9.333 3.260 284 HB2 ASP 37 HB2 ASP 37 4.792 9.170 4.033 285 HB3 ASP 37 HB3 ASP 37 5.332 7.738 4.912 286 H ASN 38 H ASN 38 6.822 6.042 2.600 287 HA ASN 38 HA ASN 38 8.705 4.952 4.590 288 HB2 ASN 38 HB2 ASN 38 6.344 4.017 3.800 289 HB3 ASN 38 HB3 ASN 38 7.296 3.318 2.486 290 HD21 ASN 38 HD21 ASN 38 6.906 0.972 5.451 291 HD22 ASN 38 HD22 ASN 38 5.826 2.264 5.012 292 H GLY 39 H GLY 39 9.293 6.768 2.131 293 HA2 GLY 39 HA2 GLY 39 10.908 7.135 0.613 294 HA3 GLY 39 HA3 GLY 39 11.865 5.939 1.500 295 H VAL 40 H VAL 40 8.887 5.334 -0.386 296 HA VAL 40 HA VAL 40 10.342 3.314 -1.906 297 HB VAL 40 HB VAL 40 8.142 2.538 -2.592 298 HG11 VAL 40 HG11 VAL 40 8.100 3.211 0.371 299 HG12 VAL 40 HG12 VAL 40 7.327 1.857 -0.470 300 HG13 VAL 40 HG13 VAL 40 9.092 1.913 -0.349 301 HG21 VAL 40 HG21 VAL 40 7.136 5.009 -1.176 302 HG22 VAL 40 HG22 VAL 40 6.872 4.585 -2.867 303 HG23 VAL 40 HG23 VAL 40 6.114 3.633 -1.598 304 H ASP 41 H ASP 41 10.539 2.996 -3.915 305 HA ASP 41 HA ASP 41 9.411 4.550 -6.040 306 HB2 ASP 41 HB2 ASP 41 11.773 5.575 -5.314 307 HB3 ASP 41 HB3 ASP 41 12.398 4.216 -6.258 308 H GLY 42 H GLY 42 8.314 2.582 -6.827 309 HA2 GLY 42 HA2 GLY 42 9.905 0.379 -7.658 310 HA3 GLY 42 HA3 GLY 42 9.183 -0.004 -6.095 311 H GLU 43 H GLU 43 8.254 -1.769 -7.483 312 HA GLU 43 HA GLU 43 5.877 -0.960 -9.021 313 HB2 GLU 43 HB2 GLU 43 5.935 -2.845 -10.272 314 HB3 GLU 43 HB3 GLU 43 7.588 -2.257 -10.277 315 HG2 GLU 43 HG2 GLU 43 8.347 -4.053 -8.894 316 HG3 GLU 43 HG3 GLU 43 6.712 -4.490 -8.389 317 H TRP 44 H TRP 44 3.912 -2.026 -8.765 318 HA TRP 44 HA TRP 44 3.406 -3.022 -6.024 319 HB2 TRP 44 HB2 TRP 44 1.796 -1.484 -8.097 320 HB3 TRP 44 HB3 TRP 44 1.087 -2.097 -6.633 321 HD1 TRP 44 HD1 TRP 44 4.164 0.145 -7.475 322 HE1 TRP 44 HE1 TRP 44 4.454 1.855 -5.635 323 HE3 TRP 44 HE3 TRP 44 0.090 -0.972 -4.578 324 HZ2 TRP 44 HZ2 TRP 44 2.850 3.031 -3.572 325 HZ3 TRP 44 HZ3 TRP 44 -0.529 0.508 -2.670 326 HH2 TRP 44 HH2 TRP 44 0.869 2.531 -2.166 327 H THR 45 H THR 45 2.506 -5.076 -5.728 328 HA THR 45 HA THR 45 1.247 -6.499 -8.010 329 HB THR 45 HB THR 45 1.974 -8.538 -6.663 330 HG1 THR 45 HG1 THR 45 3.977 -7.804 -5.368 331 HG21 THR 45 HG21 THR 45 3.154 -7.791 -8.709 332 HG22 THR 45 HG22 THR 45 4.185 -6.726 -7.732 333 HG23 THR 45 HG23 THR 45 4.277 -8.488 -7.537 334 H TYR 46 H TYR 46 -0.593 -8.076 -7.167 335 HA TYR 46 HA TYR 46 -1.832 -6.959 -4.715 336 HB2 TYR 46 HB2 TYR 46 -2.648 -5.655 -6.616 337 HB3 TYR 46 HB3 TYR 46 -3.170 -7.136 -7.417 338 HD1 TYR 46 HD1 TYR 46 -3.574 -5.491 -4.023 339 HD2 TYR 46 HD2 TYR 46 -5.451 -7.585 -7.306 340 HE1 TYR 46 HE1 TYR 46 -5.771 -5.405 -2.843 341 HE2 TYR 46 HE2 TYR 46 -7.640 -7.379 -6.196 342 HH TYR 46 HH TYR 46 -8.717 -6.812 -4.201 343 H ASP 47 H ASP 47 -3.059 -8.207 -3.497 344 HA ASP 47 HA ASP 47 -3.810 -10.973 -4.295 345 HB2 ASP 47 HB2 ASP 47 -2.068 -10.064 -2.081 346 HB3 ASP 47 HB3 ASP 47 -3.409 -11.068 -1.542 347 H ASP 48 H ASP 48 -5.986 -10.431 -4.697 348 HA ASP 48 HA ASP 48 -7.501 -8.546 -3.279 349 HB2 ASP 48 HB2 ASP 48 -7.992 -9.633 -5.555 350 HB3 ASP 48 HB3 ASP 48 -8.693 -10.962 -4.637 351 H ALA 49 H ALA 49 -6.834 -11.812 -2.272 352 HA ALA 49 HA ALA 49 -9.079 -12.356 -0.711 353 HB1 ALA 49 HB1 ALA 49 -7.226 -13.967 -1.156 354 HB2 ALA 49 HB2 ALA 49 -6.174 -13.041 -0.074 355 HB3 ALA 49 HB3 ALA 49 -7.598 -13.858 0.582 356 H THR 50 H THR 50 -6.234 -10.455 0.171 357 HA THR 50 HA THR 50 -7.570 -9.402 2.607 358 HB THR 50 HB THR 50 -6.123 -10.826 3.605 359 HG1 THR 50 HG1 THR 50 -5.056 -8.373 3.389 360 HG21 THR 50 HG21 THR 50 -4.177 -10.545 1.305 361 HG22 THR 50 HG22 THR 50 -3.766 -11.343 2.835 362 HG23 THR 50 HG23 THR 50 -5.077 -11.969 1.849 363 H LYS 51 H LYS 51 -7.077 -8.514 -0.393 364 HA LYS 51 HA LYS 51 -6.505 -6.960 -1.609 365 HB2 LYS 51 HB2 LYS 51 -7.715 -5.466 0.708 366 HB3 LYS 51 HB3 LYS 51 -7.485 -4.768 -0.921 367 HG2 LYS 51 HG2 LYS 51 -8.902 -6.994 -1.558 368 HG3 LYS 51 HG3 LYS 51 -9.438 -6.850 0.108 369 HD2 LYS 51 HD2 LYS 51 -10.221 -4.524 -0.361 370 HD3 LYS 51 HD3 LYS 51 -9.634 -4.673 -2.032 371 HE2 LYS 51 HE2 LYS 51 -11.126 -6.750 -2.227 372 HE3 LYS 51 HE3 LYS 51 -11.879 -6.241 -0.713 373 HZ1 LYS 51 HZ1 LYS 51 -12.449 -4.128 -1.894 374 HZ2 LYS 51 HZ2 LYS 51 -11.847 -4.763 -3.284 375 HZ3 LYS 51 HZ3 LYS 51 -13.139 -5.437 -2.548 376 H THR 52 H THR 52 -4.388 -8.023 -0.479 377 HA THR 52 HA THR 52 -2.678 -6.081 0.740 378 HB THR 52 HB THR 52 -2.054 -8.890 -0.202 379 HG1 THR 52 HG1 THR 52 -2.303 -9.290 2.046 380 HG21 THR 52 HG21 THR 52 -0.001 -7.516 0.128 381 HG22 THR 52 HG22 THR 52 -0.579 -7.044 1.736 382 HG23 THR 52 HG23 THR 52 -0.172 -8.742 1.402 383 H PHE 53 H PHE 53 -1.669 -4.628 -0.245 384 HA PHE 53 HA PHE 53 -0.824 -4.789 -3.086 385 HB2 PHE 53 HB2 PHE 53 -1.527 -2.533 -1.170 386 HB3 PHE 53 HB3 PHE 53 -0.540 -2.251 -2.588 387 HD1 PHE 53 HD1 PHE 53 -1.470 -2.608 -4.909 388 HD2 PHE 53 HD2 PHE 53 -3.928 -2.907 -1.376 389 HE1 PHE 53 HE1 PHE 53 -3.486 -2.233 -6.290 390 HE2 PHE 53 HE2 PHE 53 -5.953 -2.553 -2.776 391 HZ PHE 53 HZ PHE 53 -5.724 -2.158 -5.224 392 H THR 54 H THR 54 1.195 -5.557 -3.108 393 HA THR 54 HA THR 54 3.074 -4.928 -0.875 394 HB THR 54 HB THR 54 3.011 -7.239 -2.865 395 HG1 THR 54 HG1 THR 54 2.321 -8.434 -1.196 396 HG21 THR 54 HG21 THR 54 4.744 -8.268 -1.439 397 HG22 THR 54 HG22 THR 54 5.335 -6.765 -2.150 398 HG23 THR 54 HG23 THR 54 4.815 -6.795 -0.447 399 H VAL 55 H VAL 55 5.080 -4.084 -1.371 400 HA VAL 55 HA VAL 55 5.668 -3.434 -4.191 401 HB VAL 55 HB VAL 55 5.704 -1.588 -1.783 402 HG11 VAL 55 HG11 VAL 55 7.859 -1.242 -2.942 403 HG12 VAL 55 HG12 VAL 55 7.010 -1.059 -4.493 404 HG13 VAL 55 HG13 VAL 55 6.793 0.129 -3.195 405 HG21 VAL 55 HG21 VAL 55 3.582 -1.688 -3.105 406 HG22 VAL 55 HG22 VAL 55 4.368 -0.115 -3.247 407 HG23 VAL 55 HG23 VAL 55 4.512 -1.295 -4.570 408 H THR 56 H THR 56 7.763 -3.789 -4.707 409 HA THR 56 HA THR 56 9.651 -4.593 -2.567 410 HB THR 56 HB THR 56 9.184 -5.956 -5.239 411 HG1 THR 56 HG1 THR 56 8.586 -7.717 -3.878 412 HG21 THR 56 HG21 THR 56 10.805 -7.604 -4.456 413 HG22 THR 56 HG22 THR 56 11.557 -6.012 -4.469 414 HG23 THR 56 HG23 THR 56 11.020 -6.712 -2.923 415 H GLU 57 H GLU 57 11.380 -3.170 -2.631 416 HA GLU 57 HA GLU 57 11.781 -1.473 -4.999 417 HB2 GLU 57 HB2 GLU 57 12.074 -0.608 -2.651 418 HB3 GLU 57 HB3 GLU 57 13.404 -1.718 -2.423 419 HG2 GLU 57 HG2 GLU 57 14.369 -0.524 -4.612 420 HG3 GLU 57 HG3 GLU 57 13.275 0.766 -4.112 Start of MODEL 2 1 H1 MET 1 H MET 1 -15.593 1.424 2.737 2 HA MET 1 HA MET 1 -17.467 -0.406 1.406 3 HB2 MET 1 HB2 MET 1 -16.761 1.258 -0.087 4 HB3 MET 1 HB3 MET 1 -15.068 1.090 0.364 5 HG2 MET 1 HG2 MET 1 -15.020 -1.102 -0.780 6 HG3 MET 1 HG3 MET 1 -16.760 -0.977 -1.114 7 HE1 MET 1 HE1 MET 1 -14.419 -1.497 -3.262 8 HE2 MET 1 HE2 MET 1 -16.067 -1.325 -3.919 9 HE3 MET 1 HE3 MET 1 -14.743 -0.362 -4.591 10 H GLY 2 H GLY 2 -13.747 -0.449 2.173 11 HA2 GLY 2 HA2 GLY 2 -14.248 -2.986 3.404 12 HA3 GLY 2 HA3 GLY 2 -13.524 -3.139 1.794 13 H THR 3 H THR 3 -12.049 -4.144 3.630 14 HA THR 3 HA THR 3 -10.106 -2.184 4.690 15 HB THR 3 HB THR 3 -10.693 -3.750 6.375 16 HG1 THR 3 HG1 THR 3 -8.518 -3.587 6.428 17 HG21 THR 3 HG21 THR 3 -11.778 -5.527 5.134 18 HG22 THR 3 HG22 THR 3 -10.241 -6.000 4.371 19 HG23 THR 3 HG23 THR 3 -10.488 -6.211 6.125 20 H TYR 4 H TYR 4 -7.936 -2.251 3.968 21 HA TYR 4 HA TYR 4 -7.236 -4.000 1.699 22 HB2 TYR 4 HB2 TYR 4 -6.978 -0.960 1.746 23 HB3 TYR 4 HB3 TYR 4 -6.284 -2.019 0.524 24 HD1 TYR 4 HD1 TYR 4 -7.647 -2.958 -1.245 25 HD2 TYR 4 HD2 TYR 4 -9.545 -0.691 1.928 26 HE1 TYR 4 HE1 TYR 4 -9.800 -2.899 -2.529 27 HE2 TYR 4 HE2 TYR 4 -11.608 -0.687 0.707 28 HH TYR 4 HH TYR 4 -12.155 -2.629 -2.147 29 H LYS 5 H LYS 5 -5.080 -4.745 1.968 30 HA LYS 5 HA LYS 5 -3.710 -3.610 4.379 31 HB2 LYS 5 HB2 LYS 5 -4.331 -6.060 4.073 32 HB3 LYS 5 HB3 LYS 5 -2.987 -6.153 2.939 33 HG2 LYS 5 HG2 LYS 5 -1.409 -5.489 4.698 34 HG3 LYS 5 HG3 LYS 5 -2.762 -5.261 5.833 35 HD2 LYS 5 HD2 LYS 5 -3.392 -7.604 5.645 36 HD3 LYS 5 HD3 LYS 5 -2.120 -7.897 4.440 37 HE2 LYS 5 HE2 LYS 5 -0.379 -7.488 6.046 38 HE3 LYS 5 HE3 LYS 5 -1.539 -6.877 7.248 39 HZ1 LYS 5 HZ1 LYS 5 -1.558 -9.647 6.223 40 HZ2 LYS 5 HZ2 LYS 5 -0.839 -9.192 7.622 41 HZ3 LYS 5 HZ3 LYS 5 -2.476 -9.038 7.422 42 H LEU 6 H LEU 6 -1.696 -2.698 4.279 43 HA LEU 6 HA LEU 6 -0.474 -2.239 1.576 44 HB2 LEU 6 HB2 LEU 6 -1.215 -0.357 3.791 45 HB3 LEU 6 HB3 LEU 6 0.243 -0.001 2.880 46 HG LEU 6 HG LEU 6 -2.275 -0.626 1.330 47 HD11 LEU 6 HD11 LEU 6 -2.961 1.005 3.020 48 HD12 LEU 6 HD12 LEU 6 -1.610 2.073 2.570 49 HD13 LEU 6 HD13 LEU 6 -2.924 1.735 1.421 50 HD21 LEU 6 HD21 LEU 6 0.117 1.244 0.893 51 HD22 LEU 6 HD22 LEU 6 -0.108 -0.350 0.139 52 HD23 LEU 6 HD23 LEU 6 -1.223 0.974 -0.240 53 H ILE 7 H ILE 7 1.407 -3.361 1.518 54 HA ILE 7 HA ILE 7 3.340 -2.970 3.691 55 HB ILE 7 HB ILE 7 2.431 -5.282 3.751 56 HG12 ILE 7 HG12 ILE 7 5.377 -5.217 2.973 57 HG13 ILE 7 HG13 ILE 7 4.757 -4.575 4.481 58 HG21 ILE 7 HG21 ILE 7 3.947 -5.777 1.144 59 HG22 ILE 7 HG22 ILE 7 3.010 -6.954 2.069 60 HG23 ILE 7 HG23 ILE 7 2.198 -5.633 1.222 61 HD11 ILE 7 HD11 ILE 7 4.765 -7.454 3.578 62 HD12 ILE 7 HD12 ILE 7 5.514 -6.742 5.014 63 HD13 ILE 7 HD13 ILE 7 3.755 -6.900 4.940 64 H LEU 8 H LEU 8 5.235 -2.248 3.174 65 HA LEU 8 HA LEU 8 5.997 -1.906 0.326 66 HB2 LEU 8 HB2 LEU 8 6.521 -0.037 2.682 67 HB3 LEU 8 HB3 LEU 8 7.070 0.175 1.034 68 HG LEU 8 HG LEU 8 5.335 1.697 1.382 69 HD11 LEU 8 HD11 LEU 8 3.698 1.112 -0.362 70 HD12 LEU 8 HD12 LEU 8 5.327 0.608 -0.828 71 HD13 LEU 8 HD13 LEU 8 4.153 -0.590 -0.246 72 HD21 LEU 8 HD21 LEU 8 4.188 0.527 3.305 73 HD22 LEU 8 HD22 LEU 8 3.156 1.368 2.124 74 HD23 LEU 8 HD23 LEU 8 3.279 -0.392 2.093 75 H ASN 9 H ASN 9 8.121 -2.464 -0.141 76 HA ASN 9 HA ASN 9 9.843 -3.441 2.092 77 HB2 ASN 9 HB2 ASN 9 9.312 -4.787 -0.593 78 HB3 ASN 9 HB3 ASN 9 10.721 -5.121 0.410 79 HD21 ASN 9 HD21 ASN 9 7.313 -6.958 1.382 80 HD22 ASN 9 HD22 ASN 9 7.427 -6.038 -0.104 81 H GLY 10 H GLY 10 11.624 -2.243 2.181 82 HA2 GLY 10 HA2 GLY 10 12.751 -1.037 -0.274 83 HA3 GLY 10 HA3 GLY 10 12.833 -0.344 1.356 84 H LYS 11 H LYS 11 15.194 -0.700 -0.032 85 HA LYS 11 HA LYS 11 16.462 -3.177 0.194 86 HB2 LYS 11 HB2 LYS 11 17.305 -1.260 -1.042 87 HB3 LYS 11 HB3 LYS 11 17.561 -0.347 0.450 88 HG2 LYS 11 HG2 LYS 11 19.348 -1.886 1.129 89 HG3 LYS 11 HG3 LYS 11 18.976 -2.957 -0.220 90 HD2 LYS 11 HD2 LYS 11 20.932 -1.652 -0.794 91 HD3 LYS 11 HD3 LYS 11 19.582 -1.141 -1.823 92 HE2 LYS 11 HE2 LYS 11 19.201 0.814 -0.287 93 HE3 LYS 11 HE3 LYS 11 20.583 0.284 0.675 94 HZ1 LYS 11 HZ1 LYS 11 21.346 1.940 -0.747 95 HZ2 LYS 11 HZ2 LYS 11 21.939 0.560 -1.366 96 HZ3 LYS 11 HZ3 LYS 11 20.614 1.285 -2.075 97 H THR 12 H THR 12 16.407 -0.562 2.669 98 HA THR 12 HA THR 12 17.073 -2.618 4.695 99 HB THR 12 HB THR 12 19.013 -1.235 4.126 100 HG1 THR 12 HG1 THR 12 17.921 -1.424 6.674 101 HG21 THR 12 HG21 THR 12 17.735 0.937 3.843 102 HG22 THR 12 HG22 THR 12 17.632 1.037 5.610 103 HG23 THR 12 HG23 THR 12 19.212 1.034 4.790 104 H LEU 13 H LEU 13 14.500 -0.856 3.732 105 HA LEU 13 HA LEU 13 13.573 -0.403 6.523 106 HB2 LEU 13 HB2 LEU 13 12.985 1.380 4.122 107 HB3 LEU 13 HB3 LEU 13 12.280 1.506 5.724 108 HG LEU 13 HG LEU 13 15.015 1.648 6.268 109 HD11 LEU 13 HD11 LEU 13 15.952 3.294 4.756 110 HD12 LEU 13 HD12 LEU 13 15.440 1.883 3.810 111 HD13 LEU 13 HD13 LEU 13 14.448 3.353 3.807 112 HD21 LEU 13 HD21 LEU 13 14.566 4.020 6.731 113 HD22 LEU 13 HD22 LEU 13 13.034 3.924 5.833 114 HD23 LEU 13 HD23 LEU 13 13.262 2.993 7.330 115 H LYS 14 H LYS 14 11.314 -0.665 6.780 116 HA LYS 14 HA LYS 14 9.802 -1.883 4.560 117 HB2 LYS 14 HB2 LYS 14 10.329 -3.274 7.232 118 HB3 LYS 14 HB3 LYS 14 9.103 -3.772 6.072 119 HG2 LYS 14 HG2 LYS 14 10.991 -4.010 4.350 120 HG3 LYS 14 HG3 LYS 14 12.126 -3.845 5.701 121 HD2 LYS 14 HD2 LYS 14 9.951 -5.942 5.395 122 HD3 LYS 14 HD3 LYS 14 11.676 -6.198 5.112 123 HE2 LYS 14 HE2 LYS 14 12.228 -6.084 7.377 124 HE3 LYS 14 HE3 LYS 14 10.747 -5.226 7.827 125 HZ1 LYS 14 HZ1 LYS 14 10.847 -7.640 8.398 126 HZ2 LYS 14 HZ2 LYS 14 9.481 -7.156 7.610 127 HZ3 LYS 14 HZ3 LYS 14 10.656 -7.969 6.789 128 H GLY 15 H GLY 15 7.458 -2.117 5.158 129 HA2 GLY 15 HA2 GLY 15 6.509 -0.778 7.569 130 HA3 GLY 15 HA3 GLY 15 6.239 0.105 6.049 131 H GLU 16 H GLU 16 4.551 -1.859 8.064 132 HA GLU 16 HA GLU 16 3.027 -3.018 5.820 133 HB2 GLU 16 HB2 GLU 16 2.736 -5.130 6.863 134 HB3 GLU 16 HB3 GLU 16 4.452 -4.854 6.607 135 HG2 GLU 16 HG2 GLU 16 4.837 -4.461 8.964 136 HG3 GLU 16 HG3 GLU 16 3.106 -4.549 9.305 137 H THR 17 H THR 17 0.894 -2.465 5.996 138 HA THR 17 HA THR 17 -0.203 -2.100 8.717 139 HB THR 17 HB THR 17 0.978 0.041 8.135 140 HG1 THR 17 HG1 THR 17 -0.701 1.302 8.845 141 HG21 THR 17 HG21 THR 17 -1.241 0.444 6.077 142 HG22 THR 17 HG22 THR 17 0.045 1.573 6.520 143 HG23 THR 17 HG23 THR 17 0.456 0.085 5.681 144 H THR 18 H THR 18 -2.526 -1.023 8.304 145 HA THR 18 HA THR 18 -3.891 -2.389 6.079 146 HB THR 18 HB THR 18 -4.033 -3.827 8.131 147 HG1 THR 18 HG1 THR 18 -5.700 -4.342 7.082 148 HG21 THR 18 HG21 THR 18 -5.554 -3.175 9.946 149 HG22 THR 18 HG22 THR 18 -4.147 -2.094 9.896 150 HG23 THR 18 HG23 THR 18 -5.720 -1.550 9.270 151 H THR 19 H THR 19 -5.980 -1.379 5.661 152 HA THR 19 HA THR 19 -6.447 1.293 6.764 153 HB THR 19 HB THR 19 -6.567 2.190 4.406 154 HG1 THR 19 HG1 THR 19 -5.524 -0.319 3.861 155 HG21 THR 19 HG21 THR 19 -4.314 2.802 4.159 156 HG22 THR 19 HG22 THR 19 -4.663 2.753 5.895 157 HG23 THR 19 HG23 THR 19 -3.733 1.437 5.159 158 H GLU 20 H GLU 20 -8.503 2.133 5.994 159 HA GLU 20 HA GLU 20 -10.361 0.184 4.817 160 HB2 GLU 20 HB2 GLU 20 -10.677 0.052 7.219 161 HB3 GLU 20 HB3 GLU 20 -10.818 1.817 7.333 162 HG2 GLU 20 HG2 GLU 20 -12.898 1.838 6.139 163 HG3 GLU 20 HG3 GLU 20 -12.671 0.171 5.587 164 H ALA 21 H ALA 21 -12.047 1.324 3.549 165 HA ALA 21 HA ALA 21 -11.590 4.234 3.313 166 HB1 ALA 21 HB1 ALA 21 -11.550 2.359 0.911 167 HB2 ALA 21 HB2 ALA 21 -11.216 4.101 0.931 168 HB3 ALA 21 HB3 ALA 21 -10.080 2.995 1.681 169 H VAL 22 H VAL 22 -13.443 5.397 2.650 170 HA VAL 22 HA VAL 22 -15.968 4.065 3.074 171 HB VAL 22 HB VAL 22 -17.004 6.173 2.254 172 HG11 VAL 22 HG11 VAL 22 -14.925 6.547 4.435 173 HG12 VAL 22 HG12 VAL 22 -16.392 7.523 4.189 174 HG13 VAL 22 HG13 VAL 22 -16.541 5.813 4.615 175 HG21 VAL 22 HG21 VAL 22 -15.744 8.212 1.960 176 HG22 VAL 22 HG22 VAL 22 -14.211 7.361 2.135 177 HG23 VAL 22 HG23 VAL 22 -15.252 7.050 0.724 178 H ASP 23 H ASP 23 -14.080 5.061 0.273 179 HA ASP 23 HA ASP 23 -15.566 3.237 -1.531 180 HB2 ASP 23 HB2 ASP 23 -16.460 5.536 -1.865 181 HB3 ASP 23 HB3 ASP 23 -14.810 6.151 -2.052 182 H ALA 24 H ALA 24 -14.038 2.537 -3.317 183 HA ALA 24 HA ALA 24 -11.375 2.294 -2.328 184 HB1 ALA 24 HB1 ALA 24 -10.920 1.045 -4.365 185 HB2 ALA 24 HB2 ALA 24 -12.432 0.529 -3.633 186 HB3 ALA 24 HB3 ALA 24 -12.460 1.579 -5.073 187 H ALA 25 H ALA 25 -12.726 4.824 -4.335 188 HA ALA 25 HA ALA 25 -10.436 5.499 -5.842 189 HB1 ALA 25 HB1 ALA 25 -12.610 6.503 -6.273 190 HB2 ALA 25 HB2 ALA 25 -12.613 7.274 -4.673 191 HB3 ALA 25 HB3 ALA 25 -11.443 7.782 -5.905 192 H THR 26 H THR 26 -11.360 6.820 -2.571 193 HA THR 26 HA THR 26 -9.077 8.443 -2.404 194 HB THR 26 HB THR 26 -10.191 7.367 0.141 195 HG1 THR 26 HG1 THR 26 -11.632 9.055 -1.645 196 HG21 THR 26 HG21 THR 26 -9.696 10.201 -0.855 197 HG22 THR 26 HG22 THR 26 -10.085 9.712 0.812 198 HG23 THR 26 HG23 THR 26 -8.545 9.245 0.088 199 H ALA 27 H ALA 27 -9.295 4.972 -1.882 200 HA ALA 27 HA ALA 27 -7.043 4.650 -0.178 201 HB1 ALA 27 HB1 ALA 27 -7.976 2.782 -2.393 202 HB2 ALA 27 HB2 ALA 27 -6.986 2.360 -0.992 203 HB3 ALA 27 HB3 ALA 27 -8.676 2.838 -0.751 204 H GLU 28 H GLU 28 -7.359 4.971 -3.747 205 HA GLU 28 HA GLU 28 -4.691 4.515 -4.450 206 HB2 GLU 28 HB2 GLU 28 -6.694 4.628 -5.933 207 HB3 GLU 28 HB3 GLU 28 -6.680 6.386 -5.766 208 HG2 GLU 28 HG2 GLU 28 -4.447 6.484 -6.820 209 HG3 GLU 28 HG3 GLU 28 -4.395 4.716 -6.891 210 H LYS 29 H LYS 29 -6.176 7.405 -3.050 211 HA LYS 29 HA LYS 29 -3.940 9.160 -3.629 212 HB2 LYS 29 HB2 LYS 29 -6.159 9.457 -1.549 213 HB3 LYS 29 HB3 LYS 29 -4.961 10.672 -1.967 214 HG2 LYS 29 HG2 LYS 29 -5.799 10.663 -4.330 215 HG3 LYS 29 HG3 LYS 29 -7.042 9.487 -3.859 216 HD2 LYS 29 HD2 LYS 29 -8.029 11.671 -3.927 217 HD3 LYS 29 HD3 LYS 29 -7.938 11.157 -2.233 218 HE2 LYS 29 HE2 LYS 29 -5.852 12.515 -1.961 219 HE3 LYS 29 HE3 LYS 29 -5.967 13.006 -3.659 220 HZ1 LYS 29 HZ1 LYS 29 -7.983 13.558 -1.579 221 HZ2 LYS 29 HZ2 LYS 29 -6.883 14.651 -2.163 222 HZ3 LYS 29 HZ3 LYS 29 -8.074 14.042 -3.142 223 H VAL 30 H VAL 30 -5.051 7.361 -0.713 224 HA VAL 30 HA VAL 30 -2.872 8.227 0.884 225 HB VAL 30 HB VAL 30 -5.057 7.207 1.724 226 HG11 VAL 30 HG11 VAL 30 -3.497 4.598 1.532 227 HG12 VAL 30 HG12 VAL 30 -4.993 4.882 2.463 228 HG13 VAL 30 HG13 VAL 30 -5.035 4.993 0.705 229 HG21 VAL 30 HG21 VAL 30 -3.184 7.989 3.126 230 HG22 VAL 30 HG22 VAL 30 -2.417 6.398 2.998 231 HG23 VAL 30 HG23 VAL 30 -3.976 6.577 3.820 232 H PHE 31 H PHE 31 -3.140 5.534 -1.450 233 HA PHE 31 HA PHE 31 -0.886 4.057 -0.682 234 HB2 PHE 31 HB2 PHE 31 -1.859 4.778 -3.482 235 HB3 PHE 31 HB3 PHE 31 -0.682 3.538 -3.148 236 HD1 PHE 31 HD1 PHE 31 -2.728 2.880 -0.480 237 HD2 PHE 31 HD2 PHE 31 -2.865 2.861 -4.792 238 HE1 PHE 31 HE1 PHE 31 -4.593 1.259 -0.416 239 HE2 PHE 31 HE2 PHE 31 -4.773 1.280 -4.715 240 HZ PHE 31 HZ PHE 31 -5.664 0.519 -2.526 241 H LYS 32 H LYS 32 -0.948 7.056 -2.727 242 HA LYS 32 HA LYS 32 1.944 6.969 -3.028 243 HB2 LYS 32 HB2 LYS 32 0.262 8.095 -4.589 244 HB3 LYS 32 HB3 LYS 32 0.144 9.405 -3.412 245 HG2 LYS 32 HG2 LYS 32 2.590 9.804 -3.628 246 HG3 LYS 32 HG3 LYS 32 2.719 8.454 -4.756 247 HD2 LYS 32 HD2 LYS 32 1.099 10.993 -5.207 248 HD3 LYS 32 HD3 LYS 32 2.689 10.681 -5.887 249 HE2 LYS 32 HE2 LYS 32 0.205 8.993 -6.447 250 HE3 LYS 32 HE3 LYS 32 0.786 10.292 -7.489 251 HZ1 LYS 32 HZ1 LYS 32 2.454 7.921 -6.859 252 HZ2 LYS 32 HZ2 LYS 32 1.449 8.040 -8.153 253 HZ3 LYS 32 HZ3 LYS 32 2.716 9.063 -7.999 254 H GLN 33 H GLN 33 -0.257 8.966 -1.003 255 HA GLN 33 HA GLN 33 1.728 10.513 0.234 256 HB2 GLN 33 HB2 GLN 33 -0.691 10.957 0.216 257 HB3 GLN 33 HB3 GLN 33 -0.978 9.559 1.259 258 HG2 GLN 33 HG2 GLN 33 0.309 10.666 3.088 259 HG3 GLN 33 HG3 GLN 33 0.572 12.065 2.035 260 HE21 GLN 33 HE21 GLN 33 -3.001 11.607 3.982 261 HE22 GLN 33 HE22 GLN 33 -1.663 10.528 4.247 262 H TYR 34 H TYR 34 0.247 7.468 1.579 263 HA TYR 34 HA TYR 34 1.960 7.544 3.898 264 HB2 TYR 34 HB2 TYR 34 -0.056 6.424 4.213 265 HB3 TYR 34 HB3 TYR 34 0.070 5.521 2.696 266 HD1 TYR 34 HD1 TYR 34 0.441 3.261 2.913 267 HD2 TYR 34 HD2 TYR 34 2.182 5.909 5.817 268 HE1 TYR 34 HE1 TYR 34 1.619 1.333 3.978 269 HE2 TYR 34 HE2 TYR 34 3.332 4.012 6.894 270 HH TYR 34 HH TYR 34 3.914 1.755 6.659 271 H ALA 35 H ALA 35 2.056 5.572 0.812 272 HA ALA 35 HA ALA 35 4.329 4.139 1.692 273 HB1 ALA 35 HB1 ALA 35 3.674 4.713 -1.201 274 HB2 ALA 35 HB2 ALA 35 4.518 3.319 -0.492 275 HB3 ALA 35 HB3 ALA 35 2.796 3.516 -0.194 276 H ASN 36 H ASN 36 4.081 7.394 0.144 277 HA ASN 36 HA ASN 36 6.845 7.600 -0.463 278 HB2 ASN 36 HB2 ASN 36 5.244 9.187 -1.338 279 HB3 ASN 36 HB3 ASN 36 4.867 9.769 0.304 280 HD21 ASN 36 HD21 ASN 36 8.548 10.686 -1.412 281 HD22 ASN 36 HD22 ASN 36 7.637 9.302 -1.964 282 H ASP 37 H ASP 37 5.144 7.854 2.646 283 HA ASP 37 HA ASP 37 7.198 9.206 4.111 284 HB2 ASP 37 HB2 ASP 37 4.748 8.732 4.786 285 HB3 ASP 37 HB3 ASP 37 5.295 7.117 5.256 286 H ASN 38 H ASN 38 6.842 5.957 2.930 287 HA ASN 38 HA ASN 38 8.901 4.763 4.660 288 HB2 ASN 38 HB2 ASN 38 6.891 3.771 2.677 289 HB3 ASN 38 HB3 ASN 38 8.384 2.880 2.754 290 HD21 ASN 38 HD21 ASN 38 5.658 1.781 5.303 291 HD22 ASN 38 HD22 ASN 38 5.405 2.503 3.739 292 H GLY 39 H GLY 39 9.016 6.788 1.945 293 HA2 GLY 39 HA2 GLY 39 10.743 7.390 0.565 294 HA3 GLY 39 HA3 GLY 39 11.818 6.382 1.551 295 H VAL 40 H VAL 40 8.941 5.278 -0.157 296 HA VAL 40 HA VAL 40 10.272 3.093 -1.415 297 HB VAL 40 HB VAL 40 7.991 2.645 -2.279 298 HG11 VAL 40 HG11 VAL 40 7.941 3.573 0.602 299 HG12 VAL 40 HG12 VAL 40 6.810 2.449 -0.168 300 HG13 VAL 40 HG13 VAL 40 8.511 1.994 0.025 301 HG21 VAL 40 HG21 VAL 40 7.439 5.507 -1.370 302 HG22 VAL 40 HG22 VAL 40 7.049 4.730 -2.911 303 HG23 VAL 40 HG23 VAL 40 6.156 4.340 -1.442 304 H ASP 41 H ASP 41 10.648 2.588 -3.496 305 HA ASP 41 HA ASP 41 9.953 4.390 -5.713 306 HB2 ASP 41 HB2 ASP 41 12.215 5.054 -5.014 307 HB3 ASP 41 HB3 ASP 41 12.768 3.374 -5.114 308 H GLY 42 H GLY 42 8.333 2.700 -6.404 309 HA2 GLY 42 HA2 GLY 42 9.554 0.461 -7.701 310 HA3 GLY 42 HA3 GLY 42 8.864 -0.069 -6.167 311 H GLU 43 H GLU 43 7.795 -1.410 -7.791 312 HA GLU 43 HA GLU 43 5.516 -0.383 -9.309 313 HB2 GLU 43 HB2 GLU 43 5.470 -2.584 -10.301 314 HB3 GLU 43 HB3 GLU 43 7.121 -1.959 -10.348 315 HG2 GLU 43 HG2 GLU 43 7.527 -3.342 -8.191 316 HG3 GLU 43 HG3 GLU 43 5.974 -4.109 -8.531 317 H TRP 44 H TRP 44 3.374 -1.141 -8.958 318 HA TRP 44 HA TRP 44 2.854 -2.212 -6.228 319 HB2 TRP 44 HB2 TRP 44 1.314 -0.382 -8.086 320 HB3 TRP 44 HB3 TRP 44 0.596 -1.129 -6.662 321 HD1 TRP 44 HD1 TRP 44 3.807 0.953 -7.345 322 HE1 TRP 44 HE1 TRP 44 4.391 2.243 -5.313 323 HE3 TRP 44 HE3 TRP 44 -0.135 -0.451 -4.461 324 HZ2 TRP 44 HZ2 TRP 44 2.918 3.098 -2.812 325 HZ3 TRP 44 HZ3 TRP 44 -0.522 0.559 -2.254 326 HH2 TRP 44 HH2 TRP 44 1.035 2.337 -1.394 327 H THR 45 H THR 45 1.891 -4.097 -5.951 328 HA THR 45 HA THR 45 0.264 -5.295 -8.119 329 HB THR 45 HB THR 45 2.227 -6.734 -6.288 330 HG1 THR 45 HG1 THR 45 3.507 -6.828 -8.182 331 HG21 THR 45 HG21 THR 45 0.404 -8.171 -7.170 332 HG22 THR 45 HG22 THR 45 0.772 -7.631 -8.822 333 HG23 THR 45 HG23 THR 45 1.956 -8.586 -7.908 334 H TYR 46 H TYR 46 -1.477 -6.768 -7.193 335 HA TYR 46 HA TYR 46 -2.050 -6.292 -4.358 336 HB2 TYR 46 HB2 TYR 46 -3.221 -4.524 -5.270 337 HB3 TYR 46 HB3 TYR 46 -3.627 -5.354 -6.740 338 HD1 TYR 46 HD1 TYR 46 -4.623 -4.720 -3.291 339 HD2 TYR 46 HD2 TYR 46 -5.518 -6.948 -6.862 340 HE1 TYR 46 HE1 TYR 46 -6.875 -5.216 -2.401 341 HE2 TYR 46 HE2 TYR 46 -7.797 -7.434 -6.001 342 HH TYR 46 HH TYR 46 -8.877 -6.268 -2.784 343 H ASP 47 H ASP 47 -3.469 -7.743 -3.388 344 HA ASP 47 HA ASP 47 -4.285 -10.115 -4.914 345 HB2 ASP 47 HB2 ASP 47 -2.192 -10.853 -3.951 346 HB3 ASP 47 HB3 ASP 47 -2.727 -10.402 -2.335 347 H ASP 48 H ASP 48 -6.425 -10.427 -4.626 348 HA ASP 48 HA ASP 48 -7.942 -8.858 -2.809 349 HB2 ASP 48 HB2 ASP 48 -8.779 -9.690 -4.966 350 HB3 ASP 48 HB3 ASP 48 -8.748 -11.346 -4.346 351 H ALA 49 H ALA 49 -6.348 -11.915 -2.190 352 HA ALA 49 HA ALA 49 -8.117 -13.095 -0.415 353 HB1 ALA 49 HB1 ALA 49 -6.230 -14.220 0.601 354 HB2 ALA 49 HB2 ALA 49 -5.970 -14.114 -1.148 355 HB3 ALA 49 HB3 ALA 49 -5.101 -13.015 -0.041 356 H THR 50 H THR 50 -5.928 -10.401 0.279 357 HA THR 50 HA THR 50 -7.415 -9.952 2.818 358 HB THR 50 HB THR 50 -5.692 -10.307 4.103 359 HG1 THR 50 HG1 THR 50 -5.210 -8.131 3.792 360 HG21 THR 50 HG21 THR 50 -3.847 -10.669 1.705 361 HG22 THR 50 HG22 THR 50 -3.462 -11.048 3.391 362 HG23 THR 50 HG23 THR 50 -4.728 -11.959 2.567 363 H LYS 51 H LYS 51 -6.717 -8.772 -0.244 364 HA LYS 51 HA LYS 51 -7.074 -7.101 -1.365 365 HB2 LYS 51 HB2 LYS 51 -8.341 -5.888 1.105 366 HB3 LYS 51 HB3 LYS 51 -8.396 -5.163 -0.505 367 HG2 LYS 51 HG2 LYS 51 -9.525 -7.270 -1.339 368 HG3 LYS 51 HG3 LYS 51 -9.575 -7.852 0.325 369 HD2 LYS 51 HD2 LYS 51 -11.019 -6.050 1.013 370 HD3 LYS 51 HD3 LYS 51 -10.861 -5.223 -0.536 371 HE2 LYS 51 HE2 LYS 51 -12.130 -7.980 -0.152 372 HE3 LYS 51 HE3 LYS 51 -13.022 -6.453 -0.196 373 HZ1 LYS 51 HZ1 LYS 51 -12.123 -6.101 -2.442 374 HZ2 LYS 51 HZ2 LYS 51 -11.506 -7.654 -2.439 375 HZ3 LYS 51 HZ3 LYS 51 -13.113 -7.370 -2.362 376 H THR 52 H THR 52 -4.762 -7.832 -0.249 377 HA THR 52 HA THR 52 -3.285 -5.685 0.901 378 HB THR 52 HB THR 52 -2.966 -7.993 1.607 379 HG1 THR 52 HG1 THR 52 -0.695 -8.166 1.215 380 HG21 THR 52 HG21 THR 52 -3.442 -9.268 -0.407 381 HG22 THR 52 HG22 THR 52 -1.998 -8.586 -1.205 382 HG23 THR 52 HG23 THR 52 -1.840 -9.653 0.204 383 H PHE 53 H PHE 53 -1.625 -4.597 0.027 384 HA PHE 53 HA PHE 53 -1.181 -4.561 -2.890 385 HB2 PHE 53 HB2 PHE 53 -1.518 -2.307 -0.876 386 HB3 PHE 53 HB3 PHE 53 -0.520 -2.101 -2.308 387 HD1 PHE 53 HD1 PHE 53 -1.463 -2.326 -4.597 388 HD2 PHE 53 HD2 PHE 53 -3.979 -2.397 -1.095 389 HE1 PHE 53 HE1 PHE 53 -3.432 -1.825 -6.009 390 HE2 PHE 53 HE2 PHE 53 -5.955 -1.908 -2.520 391 HZ PHE 53 HZ PHE 53 -5.656 -1.584 -5.000 392 H THR 54 H THR 54 0.945 -4.894 -3.364 393 HA THR 54 HA THR 54 2.961 -4.927 -1.184 394 HB THR 54 HB THR 54 3.841 -6.905 -2.590 395 HG1 THR 54 HG1 THR 54 2.178 -7.920 -3.882 396 HG21 THR 54 HG21 THR 54 2.241 -8.534 -1.646 397 HG22 THR 54 HG22 THR 54 2.673 -7.304 -0.464 398 HG23 THR 54 HG23 THR 54 1.093 -7.236 -1.277 399 H VAL 55 H VAL 55 4.892 -3.968 -1.649 400 HA VAL 55 HA VAL 55 5.507 -3.098 -4.408 401 HB VAL 55 HB VAL 55 5.640 -1.432 -1.890 402 HG11 VAL 55 HG11 VAL 55 7.730 -1.065 -3.159 403 HG12 VAL 55 HG12 VAL 55 6.787 -0.802 -4.647 404 HG13 VAL 55 HG13 VAL 55 6.677 0.333 -3.279 405 HG21 VAL 55 HG21 VAL 55 3.441 -1.450 -3.113 406 HG22 VAL 55 HG22 VAL 55 4.235 0.117 -3.166 407 HG23 VAL 55 HG23 VAL 55 4.304 -0.947 -4.588 408 H THR 56 H THR 56 7.576 -3.641 -4.978 409 HA THR 56 HA THR 56 9.451 -4.380 -2.809 410 HB THR 56 HB THR 56 9.134 -5.911 -5.409 411 HG1 THR 56 HG1 THR 56 7.514 -6.718 -4.434 412 HG21 THR 56 HG21 THR 56 11.390 -5.969 -4.324 413 HG22 THR 56 HG22 THR 56 10.615 -6.543 -2.817 414 HG23 THR 56 HG23 THR 56 10.569 -7.533 -4.299 415 H GLU 57 H GLU 57 10.844 -2.762 -2.818 416 HA GLU 57 HA GLU 57 11.599 -1.122 -5.044 417 HB2 GLU 57 HB2 GLU 57 11.676 -0.468 -2.657 418 HB3 GLU 57 HB3 GLU 57 12.857 -1.743 -2.338 419 HG2 GLU 57 HG2 GLU 57 14.501 -0.561 -3.793 420 HG3 GLU 57 HG3 GLU 57 13.331 0.756 -3.996 Start of MODEL 3 1 H1 MET 1 H MET 1 -16.985 0.660 2.069 2 HA MET 1 HA MET 1 -16.858 -0.435 -0.072 3 HB2 MET 1 HB2 MET 1 -15.656 1.195 -1.310 4 HB3 MET 1 HB3 MET 1 -14.198 0.997 -0.312 5 HG2 MET 1 HG2 MET 1 -14.022 -1.366 -1.090 6 HG3 MET 1 HG3 MET 1 -15.442 -1.130 -2.104 7 HE1 MET 1 HE1 MET 1 -15.447 -0.173 -4.422 8 HE2 MET 1 HE2 MET 1 -15.256 1.436 -3.691 9 HE3 MET 1 HE3 MET 1 -14.222 0.945 -5.052 10 H GLY 2 H GLY 2 -13.547 -0.243 1.666 11 HA2 GLY 2 HA2 GLY 2 -14.084 -2.487 3.202 12 HA3 GLY 2 HA3 GLY 2 -13.436 -3.075 1.662 13 H THR 3 H THR 3 -12.058 -3.837 3.510 14 HA THR 3 HA THR 3 -10.077 -2.139 4.633 15 HB THR 3 HB THR 3 -10.786 -4.107 5.816 16 HG1 THR 3 HG1 THR 3 -8.695 -3.670 6.252 17 HG21 THR 3 HG21 THR 3 -11.407 -5.633 4.003 18 HG22 THR 3 HG22 THR 3 -9.712 -5.745 3.479 19 HG23 THR 3 HG23 THR 3 -10.196 -6.374 5.059 20 H TYR 4 H TYR 4 -7.804 -2.055 4.073 21 HA TYR 4 HA TYR 4 -7.000 -3.304 1.530 22 HB2 TYR 4 HB2 TYR 4 -7.075 -0.303 2.021 23 HB3 TYR 4 HB3 TYR 4 -5.900 -1.041 0.940 24 HD1 TYR 4 HD1 TYR 4 -6.707 -2.545 -0.948 25 HD2 TYR 4 HD2 TYR 4 -9.387 0.074 1.201 26 HE1 TYR 4 HE1 TYR 4 -8.353 -2.714 -2.795 27 HE2 TYR 4 HE2 TYR 4 -10.985 -0.014 -0.680 28 HH TYR 4 HH TYR 4 -11.556 -1.185 -2.676 29 H LYS 5 H LYS 5 -5.079 -4.300 1.946 30 HA LYS 5 HA LYS 5 -3.639 -3.430 4.424 31 HB2 LYS 5 HB2 LYS 5 -4.554 -5.724 4.221 32 HB3 LYS 5 HB3 LYS 5 -3.474 -6.025 2.862 33 HG2 LYS 5 HG2 LYS 5 -1.521 -5.776 4.328 34 HG3 LYS 5 HG3 LYS 5 -2.553 -5.278 5.679 35 HD2 LYS 5 HD2 LYS 5 -3.623 -7.434 5.814 36 HD3 LYS 5 HD3 LYS 5 -2.926 -7.943 4.278 37 HE2 LYS 5 HE2 LYS 5 -1.780 -9.081 6.032 38 HE3 LYS 5 HE3 LYS 5 -0.671 -7.970 5.236 39 HZ1 LYS 5 HZ1 LYS 5 -1.978 -7.459 7.843 40 HZ2 LYS 5 HZ2 LYS 5 -0.412 -7.934 7.587 41 HZ3 LYS 5 HZ3 LYS 5 -0.862 -6.483 7.105 42 H LEU 6 H LEU 6 -1.698 -2.360 4.198 43 HA LEU 6 HA LEU 6 -0.418 -2.226 1.477 44 HB2 LEU 6 HB2 LEU 6 -0.857 -0.171 3.650 45 HB3 LEU 6 HB3 LEU 6 0.345 0.071 2.399 46 HG LEU 6 HG LEU 6 -2.537 -0.521 1.654 47 HD11 LEU 6 HD11 LEU 6 -2.498 1.387 3.279 48 HD12 LEU 6 HD12 LEU 6 -1.383 2.251 2.200 49 HD13 LEU 6 HD13 LEU 6 -3.032 1.840 1.670 50 HD21 LEU 6 HD21 LEU 6 -0.305 1.069 0.295 51 HD22 LEU 6 HD22 LEU 6 -0.688 -0.621 -0.049 52 HD23 LEU 6 HD23 LEU 6 -1.882 0.611 -0.409 53 H ILE 7 H ILE 7 1.437 -3.243 1.521 54 HA ILE 7 HA ILE 7 3.359 -2.910 3.738 55 HB ILE 7 HB ILE 7 2.493 -5.251 3.686 56 HG12 ILE 7 HG12 ILE 7 5.412 -5.192 2.788 57 HG13 ILE 7 HG13 ILE 7 4.913 -4.567 4.331 58 HG21 ILE 7 HG21 ILE 7 2.222 -5.353 1.104 59 HG22 ILE 7 HG22 ILE 7 3.951 -5.601 1.035 60 HG23 ILE 7 HG23 ILE 7 2.932 -6.783 1.862 61 HD11 ILE 7 HD11 ILE 7 3.980 -6.808 4.943 62 HD12 ILE 7 HD12 ILE 7 4.621 -7.443 3.406 63 HD13 ILE 7 HD13 ILE 7 5.728 -6.810 4.630 64 H LEU 8 H LEU 8 5.328 -2.276 3.278 65 HA LEU 8 HA LEU 8 6.140 -1.806 0.463 66 HB2 LEU 8 HB2 LEU 8 6.586 -0.054 2.933 67 HB3 LEU 8 HB3 LEU 8 7.359 0.164 1.379 68 HG LEU 8 HG LEU 8 5.682 1.771 1.461 69 HD11 LEU 8 HD11 LEU 8 4.437 -0.484 -0.163 70 HD12 LEU 8 HD12 LEU 8 4.199 1.242 -0.411 71 HD13 LEU 8 HD13 LEU 8 5.788 0.508 -0.706 72 HD21 LEU 8 HD21 LEU 8 4.330 0.757 3.318 73 HD22 LEU 8 HD22 LEU 8 3.414 1.559 2.024 74 HD23 LEU 8 HD23 LEU 8 3.482 -0.204 2.093 75 H ASN 9 H ASN 9 8.077 -2.682 0.002 76 HA ASN 9 HA ASN 9 9.739 -3.794 2.207 77 HB2 ASN 9 HB2 ASN 9 9.118 -5.055 -0.480 78 HB3 ASN 9 HB3 ASN 9 10.166 -5.726 0.762 79 HD21 ASN 9 HD21 ASN 9 6.164 -6.316 0.897 80 HD22 ASN 9 HD22 ASN 9 6.874 -5.163 -0.252 81 H GLY 10 H GLY 10 10.805 -1.610 1.917 82 HA2 GLY 10 HA2 GLY 10 12.212 -1.058 -0.549 83 HA3 GLY 10 HA3 GLY 10 12.362 -0.230 1.005 84 H LYS 11 H LYS 11 14.630 -0.605 -0.306 85 HA LYS 11 HA LYS 11 16.015 -3.065 0.159 86 HB2 LYS 11 HB2 LYS 11 16.756 -1.380 -1.456 87 HB3 LYS 11 HB3 LYS 11 17.037 -0.209 -0.160 88 HG2 LYS 11 HG2 LYS 11 18.834 -1.727 0.756 89 HG3 LYS 11 HG3 LYS 11 18.561 -2.816 -0.612 90 HD2 LYS 11 HD2 LYS 11 19.145 -1.013 -2.182 91 HD3 LYS 11 HD3 LYS 11 19.320 0.136 -0.839 92 HE2 LYS 11 HE2 LYS 11 21.213 -1.105 0.056 93 HE3 LYS 11 HE3 LYS 11 20.998 -2.387 -1.153 94 HZ1 LYS 11 HZ1 LYS 11 22.733 -0.829 -1.789 95 HZ2 LYS 11 HZ2 LYS 11 21.503 -0.802 -2.874 96 HZ3 LYS 11 HZ3 LYS 11 21.689 0.421 -1.763 97 H THR 12 H THR 12 15.943 -0.013 2.072 98 HA THR 12 HA THR 12 16.937 -1.560 4.416 99 HB THR 12 HB THR 12 18.120 0.480 5.144 100 HG1 THR 12 HG1 THR 12 17.885 2.265 4.076 101 HG21 THR 12 HG21 THR 12 19.121 -0.175 2.365 102 HG22 THR 12 HG22 THR 12 20.029 0.020 3.874 103 HG23 THR 12 HG23 THR 12 19.086 -1.438 3.611 104 H LEU 13 H LEU 13 14.150 -0.275 3.296 105 HA LEU 13 HA LEU 13 13.258 0.570 6.011 106 HB2 LEU 13 HB2 LEU 13 12.469 1.677 3.287 107 HB3 LEU 13 HB3 LEU 13 11.707 2.127 4.807 108 HG LEU 13 HG LEU 13 14.657 2.614 4.179 109 HD11 LEU 13 HD11 LEU 13 13.154 3.844 2.623 110 HD12 LEU 13 HD12 LEU 13 12.366 4.600 4.025 111 HD13 LEU 13 HD13 LEU 13 14.084 4.900 3.688 112 HD21 LEU 13 HD21 LEU 13 14.172 2.565 6.597 113 HD22 LEU 13 HD22 LEU 13 14.523 4.208 6.064 114 HD23 LEU 13 HD23 LEU 13 12.842 3.724 6.368 115 H LYS 14 H LYS 14 11.235 -0.269 6.581 116 HA LYS 14 HA LYS 14 9.753 -1.813 4.572 117 HB2 LYS 14 HB2 LYS 14 11.565 -3.286 5.858 118 HB3 LYS 14 HB3 LYS 14 10.386 -3.246 7.179 119 HG2 LYS 14 HG2 LYS 14 8.661 -4.161 5.607 120 HG3 LYS 14 HG3 LYS 14 9.867 -4.127 4.310 121 HD2 LYS 14 HD2 LYS 14 11.281 -5.734 5.649 122 HD3 LYS 14 HD3 LYS 14 9.921 -5.860 6.801 123 HE2 LYS 14 HE2 LYS 14 8.433 -6.469 4.831 124 HE3 LYS 14 HE3 LYS 14 9.862 -6.455 3.802 125 HZ1 LYS 14 HZ1 LYS 14 9.427 -8.271 6.083 126 HZ2 LYS 14 HZ2 LYS 14 9.249 -8.657 4.490 127 HZ3 LYS 14 HZ3 LYS 14 10.740 -8.289 5.086 128 H GLY 15 H GLY 15 7.467 -2.088 5.199 129 HA2 GLY 15 HA2 GLY 15 6.599 -1.285 7.840 130 HA3 GLY 15 HA3 GLY 15 6.336 -0.015 6.626 131 H GLU 16 H GLU 16 4.287 -1.708 8.096 132 HA GLU 16 HA GLU 16 2.846 -2.428 5.721 133 HB2 GLU 16 HB2 GLU 16 2.251 -4.615 6.179 134 HB3 GLU 16 HB3 GLU 16 4.003 -4.570 6.249 135 HG2 GLU 16 HG2 GLU 16 4.106 -5.127 8.466 136 HG3 GLU 16 HG3 GLU 16 2.570 -4.370 8.877 137 H THR 17 H THR 17 0.601 -2.367 5.954 138 HA THR 17 HA THR 17 -0.504 -2.023 8.657 139 HB THR 17 HB THR 17 0.394 0.172 8.455 140 HG1 THR 17 HG1 THR 17 -1.367 1.398 8.608 141 HG21 THR 17 HG21 THR 17 0.858 0.279 6.047 142 HG22 THR 17 HG22 THR 17 -0.869 0.390 5.701 143 HG23 THR 17 HG23 THR 17 -0.052 1.697 6.577 144 H THR 18 H THR 18 -2.848 -1.316 8.503 145 HA THR 18 HA THR 18 -4.309 -2.349 6.209 146 HB THR 18 HB THR 18 -3.780 -4.208 7.941 147 HG1 THR 18 HG1 THR 18 -5.723 -5.115 7.569 148 HG21 THR 18 HG21 THR 18 -4.340 -2.883 9.988 149 HG22 THR 18 HG22 THR 18 -6.041 -2.860 9.482 150 HG23 THR 18 HG23 THR 18 -5.253 -4.397 9.863 151 H THR 19 H THR 19 -6.490 -1.436 6.269 152 HA THR 19 HA THR 19 -7.413 0.349 8.263 153 HB THR 19 HB THR 19 -5.534 1.705 7.176 154 HG1 THR 19 HG1 THR 19 -6.637 3.498 7.192 155 HG21 THR 19 HG21 THR 19 -5.886 0.975 4.807 156 HG22 THR 19 HG22 THR 19 -7.430 1.855 4.787 157 HG23 THR 19 HG23 THR 19 -5.916 2.738 5.012 158 H GLU 20 H GLU 20 -9.519 1.395 7.241 159 HA GLU 20 HA GLU 20 -10.608 -0.278 5.056 160 HB2 GLU 20 HB2 GLU 20 -11.456 -1.166 7.184 161 HB3 GLU 20 HB3 GLU 20 -11.963 0.457 7.673 162 HG2 GLU 20 HG2 GLU 20 -13.494 0.510 5.656 163 HG3 GLU 20 HG3 GLU 20 -13.024 -1.147 5.315 164 H ALA 21 H ALA 21 -11.377 0.935 3.447 165 HA ALA 21 HA ALA 21 -11.692 3.858 3.938 166 HB1 ALA 21 HB1 ALA 21 -10.699 2.423 1.442 167 HB2 ALA 21 HB2 ALA 21 -10.899 4.173 1.634 168 HB3 ALA 21 HB3 ALA 21 -9.687 3.317 2.604 169 H VAL 22 H VAL 22 -13.340 4.903 3.065 170 HA VAL 22 HA VAL 22 -15.781 3.604 2.593 171 HB VAL 22 HB VAL 22 -16.626 5.814 1.976 172 HG11 VAL 22 HG11 VAL 22 -14.733 5.962 4.364 173 HG12 VAL 22 HG12 VAL 22 -16.215 6.908 4.092 174 HG13 VAL 22 HG13 VAL 22 -16.317 5.163 4.356 175 HG21 VAL 22 HG21 VAL 22 -14.740 6.766 0.700 176 HG22 VAL 22 HG22 VAL 22 -15.174 7.814 2.046 177 HG23 VAL 22 HG23 VAL 22 -13.731 6.789 2.161 178 H ASP 23 H ASP 23 -13.224 4.606 0.265 179 HA ASP 23 HA ASP 23 -14.580 3.024 -1.792 180 HB2 ASP 23 HB2 ASP 23 -15.489 5.411 -1.907 181 HB3 ASP 23 HB3 ASP 23 -13.836 5.920 -2.299 182 H ALA 24 H ALA 24 -13.109 2.651 -3.651 183 HA ALA 24 HA ALA 24 -10.430 2.128 -2.872 184 HB1 ALA 24 HB1 ALA 24 -11.442 0.803 -4.622 185 HB2 ALA 24 HB2 ALA 24 -11.760 2.250 -5.616 186 HB3 ALA 24 HB3 ALA 24 -10.096 1.700 -5.331 187 H ALA 25 H ALA 25 -11.955 4.919 -4.562 188 HA ALA 25 HA ALA 25 -9.543 6.140 -5.413 189 HB1 ALA 25 HB1 ALA 25 -12.152 7.459 -4.562 190 HB2 ALA 25 HB2 ALA 25 -10.879 8.202 -5.552 191 HB3 ALA 25 HB3 ALA 25 -11.797 6.814 -6.173 192 H THR 26 H THR 26 -11.135 6.075 -2.251 193 HA THR 26 HA THR 26 -9.557 8.220 -1.066 194 HB THR 26 HB THR 26 -11.151 5.939 0.187 195 HG1 THR 26 HG1 THR 26 -12.304 7.490 -1.143 196 HG21 THR 26 HG21 THR 26 -9.547 6.904 1.816 197 HG22 THR 26 HG22 THR 26 -10.193 8.523 1.480 198 HG23 THR 26 HG23 THR 26 -11.219 7.264 2.219 199 H ALA 27 H ALA 27 -9.375 4.644 -1.201 200 HA ALA 27 HA ALA 27 -7.097 4.309 0.468 201 HB1 ALA 27 HB1 ALA 27 -8.697 2.508 -0.190 202 HB2 ALA 27 HB2 ALA 27 -8.047 2.549 -1.844 203 HB3 ALA 27 HB3 ALA 27 -7.015 2.075 -0.485 204 H GLU 28 H GLU 28 -7.439 4.500 -3.090 205 HA GLU 28 HA GLU 28 -4.835 4.348 -3.958 206 HB2 GLU 28 HB2 GLU 28 -6.862 4.320 -5.340 207 HB3 GLU 28 HB3 GLU 28 -7.205 5.993 -4.916 208 HG2 GLU 28 HG2 GLU 28 -5.066 6.648 -6.129 209 HG3 GLU 28 HG3 GLU 28 -4.964 4.968 -6.687 210 H LYS 29 H LYS 29 -6.473 7.209 -2.565 211 HA LYS 29 HA LYS 29 -4.350 9.023 -3.309 212 HB2 LYS 29 HB2 LYS 29 -6.820 9.521 -2.784 213 HB3 LYS 29 HB3 LYS 29 -6.369 9.488 -1.077 214 HG2 LYS 29 HG2 LYS 29 -4.730 11.310 -1.456 215 HG3 LYS 29 HG3 LYS 29 -5.029 11.202 -3.209 216 HD2 LYS 29 HD2 LYS 29 -7.521 11.628 -2.566 217 HD3 LYS 29 HD3 LYS 29 -6.875 12.258 -1.049 218 HE2 LYS 29 HE2 LYS 29 -6.004 14.129 -2.068 219 HE3 LYS 29 HE3 LYS 29 -5.479 13.228 -3.499 220 HZ1 LYS 29 HZ1 LYS 29 -7.224 14.770 -4.040 221 HZ2 LYS 29 HZ2 LYS 29 -7.683 13.214 -4.317 222 HZ3 LYS 29 HZ3 LYS 29 -8.283 13.995 -3.015 223 H VAL 30 H VAL 30 -5.204 7.342 -0.228 224 HA VAL 30 HA VAL 30 -2.975 8.462 1.169 225 HB VAL 30 HB VAL 30 -4.886 7.619 2.413 226 HG11 VAL 30 HG11 VAL 30 -3.952 4.838 1.657 227 HG12 VAL 30 HG12 VAL 30 -5.097 5.217 2.974 228 HG13 VAL 30 HG13 VAL 30 -5.530 5.603 1.300 229 HG21 VAL 30 HG21 VAL 30 -3.685 6.628 4.256 230 HG22 VAL 30 HG22 VAL 30 -2.690 7.875 3.492 231 HG23 VAL 30 HG23 VAL 30 -2.353 6.156 3.190 232 H PHE 31 H PHE 31 -3.340 5.598 -0.931 233 HA PHE 31 HA PHE 31 -1.015 4.201 -0.293 234 HB2 PHE 31 HB2 PHE 31 -2.188 4.776 -3.052 235 HB3 PHE 31 HB3 PHE 31 -0.916 3.639 -2.766 236 HD1 PHE 31 HD1 PHE 31 -3.197 3.211 -0.051 237 HD2 PHE 31 HD2 PHE 31 -2.658 2.407 -4.255 238 HE1 PHE 31 HE1 PHE 31 -4.825 1.352 0.089 239 HE2 PHE 31 HE2 PHE 31 -4.275 0.558 -4.108 240 HZ PHE 31 HZ PHE 31 -5.396 0.044 -1.924 241 H LYS 32 H LYS 32 -1.264 7.091 -2.518 242 HA LYS 32 HA LYS 32 1.527 6.956 -3.202 243 HB2 LYS 32 HB2 LYS 32 -0.100 8.178 -4.561 244 HB3 LYS 32 HB3 LYS 32 -0.415 9.315 -3.236 245 HG2 LYS 32 HG2 LYS 32 1.883 10.166 -3.359 246 HG3 LYS 32 HG3 LYS 32 2.316 8.923 -4.550 247 HD2 LYS 32 HD2 LYS 32 0.691 9.872 -6.129 248 HD3 LYS 32 HD3 LYS 32 0.252 11.137 -4.958 249 HE2 LYS 32 HE2 LYS 32 2.426 12.132 -5.082 250 HE3 LYS 32 HE3 LYS 32 3.124 10.708 -5.860 251 HZ1 LYS 32 HZ1 LYS 32 1.873 11.132 -7.800 252 HZ2 LYS 32 HZ2 LYS 32 1.111 12.456 -7.128 253 HZ3 LYS 32 HZ3 LYS 32 2.728 12.487 -7.429 254 H GLN 33 H GLN 33 -0.145 9.017 -0.762 255 HA GLN 33 HA GLN 33 2.302 10.216 0.097 256 HB2 GLN 33 HB2 GLN 33 0.348 11.418 0.392 257 HB3 GLN 33 HB3 GLN 33 -0.519 10.115 1.162 258 HG2 GLN 33 HG2 GLN 33 1.891 11.487 2.453 259 HG3 GLN 33 HG3 GLN 33 0.249 12.109 2.605 260 HE21 GLN 33 HE21 GLN 33 -0.761 8.962 4.434 261 HE22 GLN 33 HE22 GLN 33 -1.211 9.668 2.889 262 H TYR 34 H TYR 34 0.406 7.536 1.674 263 HA TYR 34 HA TYR 34 2.209 7.243 3.840 264 HB2 TYR 34 HB2 TYR 34 0.002 6.297 3.971 265 HB3 TYR 34 HB3 TYR 34 0.250 5.330 2.512 266 HD1 TYR 34 HD1 TYR 34 0.799 3.081 2.777 267 HD2 TYR 34 HD2 TYR 34 1.792 5.852 5.910 268 HE1 TYR 34 HE1 TYR 34 1.948 1.257 4.016 269 HE2 TYR 34 HE2 TYR 34 2.921 4.048 7.161 270 HH TYR 34 HH TYR 34 3.565 1.841 7.205 271 H ALA 35 H ALA 35 2.220 5.711 0.560 272 HA ALA 35 HA ALA 35 4.430 3.990 1.270 273 HB1 ALA 35 HB1 ALA 35 3.518 4.837 -1.498 274 HB2 ALA 35 HB2 ALA 35 4.428 3.392 -1.017 275 HB3 ALA 35 HB3 ALA 35 2.756 3.541 -0.526 276 H ASN 36 H ASN 36 4.145 7.226 -0.403 277 HA ASN 36 HA ASN 36 6.934 7.359 -0.974 278 HB2 ASN 36 HB2 ASN 36 5.268 8.834 -2.061 279 HB3 ASN 36 HB3 ASN 36 5.030 9.682 -0.519 280 HD21 ASN 36 HD21 ASN 36 8.753 10.001 -2.366 281 HD22 ASN 36 HD22 ASN 36 7.781 8.610 -2.705 282 H ASP 37 H ASP 37 5.113 8.169 1.985 283 HA ASP 37 HA ASP 37 7.222 9.515 3.379 284 HB2 ASP 37 HB2 ASP 37 4.872 9.608 4.075 285 HB3 ASP 37 HB3 ASP 37 4.851 7.867 4.360 286 H ASN 38 H ASN 38 6.597 6.172 2.652 287 HA ASN 38 HA ASN 38 8.461 5.004 4.579 288 HB2 ASN 38 HB2 ASN 38 6.352 4.084 2.743 289 HB3 ASN 38 HB3 ASN 38 7.799 3.134 2.542 290 HD21 ASN 38 HD21 ASN 38 5.303 2.022 5.315 291 HD22 ASN 38 HD22 ASN 38 4.952 3.347 4.236 292 H GLY 39 H GLY 39 9.011 6.841 1.839 293 HA2 GLY 39 HA2 GLY 39 10.800 7.194 0.498 294 HA3 GLY 39 HA3 GLY 39 11.725 6.118 1.559 295 H VAL 40 H VAL 40 8.900 5.136 -0.358 296 HA VAL 40 HA VAL 40 10.278 2.905 -1.521 297 HB VAL 40 HB VAL 40 8.051 2.489 -2.512 298 HG11 VAL 40 HG11 VAL 40 6.712 2.484 -0.414 299 HG12 VAL 40 HG12 VAL 40 8.325 1.745 -0.263 300 HG13 VAL 40 HG13 VAL 40 8.001 3.359 0.390 301 HG21 VAL 40 HG21 VAL 40 7.507 5.377 -1.728 302 HG22 VAL 40 HG22 VAL 40 7.168 4.536 -3.244 303 HG23 VAL 40 HG23 VAL 40 6.196 4.221 -1.831 304 H ASP 41 H ASP 41 10.840 2.396 -3.612 305 HA ASP 41 HA ASP 41 10.082 4.174 -5.799 306 HB2 ASP 41 HB2 ASP 41 12.281 4.997 -5.025 307 HB3 ASP 41 HB3 ASP 41 12.996 3.417 -5.383 308 H GLY 42 H GLY 42 8.587 2.142 -5.719 309 HA2 GLY 42 HA2 GLY 42 9.809 0.067 -7.459 310 HA3 GLY 42 HA3 GLY 42 9.071 -0.440 -5.946 311 H GLU 43 H GLU 43 7.945 -1.701 -7.661 312 HA GLU 43 HA GLU 43 5.673 -0.443 -9.027 313 HB2 GLU 43 HB2 GLU 43 5.525 -2.528 -10.286 314 HB3 GLU 43 HB3 GLU 43 7.088 -1.714 -10.481 315 HG2 GLU 43 HG2 GLU 43 8.189 -3.355 -9.058 316 HG3 GLU 43 HG3 GLU 43 6.651 -4.057 -8.566 317 H TRP 44 H TRP 44 3.551 -1.334 -8.828 318 HA TRP 44 HA TRP 44 3.039 -2.570 -6.183 319 HB2 TRP 44 HB2 TRP 44 1.377 -0.804 -8.019 320 HB3 TRP 44 HB3 TRP 44 0.816 -1.500 -6.504 321 HD1 TRP 44 HD1 TRP 44 3.946 0.654 -7.463 322 HE1 TRP 44 HE1 TRP 44 4.483 2.129 -5.549 323 HE3 TRP 44 HE3 TRP 44 -0.030 -0.513 -4.459 324 HZ2 TRP 44 HZ2 TRP 44 2.992 3.232 -3.219 325 HZ3 TRP 44 HZ3 TRP 44 -0.455 0.777 -2.389 326 HH2 TRP 44 HH2 TRP 44 1.064 2.641 -1.749 327 H THR 45 H THR 45 2.128 -4.533 -6.016 328 HA THR 45 HA THR 45 0.540 -5.661 -8.261 329 HB THR 45 HB THR 45 1.312 -7.865 -7.315 330 HG1 THR 45 HG1 THR 45 2.267 -7.735 -5.484 331 HG21 THR 45 HG21 THR 45 3.566 -6.055 -8.295 332 HG22 THR 45 HG22 THR 45 3.521 -7.828 -8.361 333 HG23 THR 45 HG23 THR 45 2.380 -6.882 -9.328 334 H TYR 46 H TYR 46 -1.234 -7.219 -7.385 335 HA TYR 46 HA TYR 46 -2.166 -6.362 -4.692 336 HB2 TYR 46 HB2 TYR 46 -3.179 -4.950 -6.419 337 HB3 TYR 46 HB3 TYR 46 -3.757 -6.373 -7.272 338 HD1 TYR 46 HD1 TYR 46 -3.871 -5.000 -3.758 339 HD2 TYR 46 HD2 TYR 46 -6.030 -6.861 -6.975 340 HE1 TYR 46 HE1 TYR 46 -5.958 -4.876 -2.423 341 HE2 TYR 46 HE2 TYR 46 -8.147 -6.623 -5.697 342 HH TYR 46 HH TYR 46 -9.012 -6.196 -3.535 343 H ASP 47 H ASP 47 -3.361 -7.710 -3.531 344 HA ASP 47 HA ASP 47 -4.128 -10.416 -4.480 345 HB2 ASP 47 HB2 ASP 47 -2.422 -9.642 -2.124 346 HB3 ASP 47 HB3 ASP 47 -3.600 -10.936 -1.905 347 H ASP 48 H ASP 48 -6.310 -9.931 -4.673 348 HA ASP 48 HA ASP 48 -7.714 -8.207 -2.899 349 HB2 ASP 48 HB2 ASP 48 -8.346 -8.852 -5.285 350 HB3 ASP 48 HB3 ASP 48 -8.955 -10.362 -4.625 351 H ALA 49 H ALA 49 -6.646 -11.365 -2.356 352 HA ALA 49 HA ALA 49 -8.698 -12.565 -0.860 353 HB1 ALA 49 HB1 ALA 49 -5.687 -12.769 -0.386 354 HB2 ALA 49 HB2 ALA 49 -6.926 -13.927 0.151 355 HB3 ALA 49 HB3 ALA 49 -6.613 -13.711 -1.577 356 H THR 50 H THR 50 -6.267 -10.212 0.187 357 HA THR 50 HA THR 50 -7.841 -9.699 2.652 358 HB THR 50 HB THR 50 -6.154 -10.864 3.616 359 HG1 THR 50 HG1 THR 50 -6.173 -8.759 4.506 360 HG21 THR 50 HG21 THR 50 -4.288 -9.794 1.510 361 HG22 THR 50 HG22 THR 50 -3.686 -10.570 2.995 362 HG23 THR 50 HG23 THR 50 -4.707 -11.466 1.863 363 H LYS 51 H LYS 51 -6.495 -8.404 -0.276 364 HA LYS 51 HA LYS 51 -6.825 -6.663 -1.315 365 HB2 LYS 51 HB2 LYS 51 -7.919 -5.315 1.149 366 HB3 LYS 51 HB3 LYS 51 -7.944 -4.687 -0.504 367 HG2 LYS 51 HG2 LYS 51 -9.231 -6.730 -1.220 368 HG3 LYS 51 HG3 LYS 51 -9.326 -7.248 0.453 369 HD2 LYS 51 HD2 LYS 51 -10.695 -5.456 1.092 370 HD3 LYS 51 HD3 LYS 51 -10.428 -4.558 -0.422 371 HE2 LYS 51 HE2 LYS 51 -11.714 -7.309 -0.264 372 HE3 LYS 51 HE3 LYS 51 -12.653 -5.824 -0.109 373 HZ1 LYS 51 HZ1 LYS 51 -12.658 -6.673 -2.343 374 HZ2 LYS 51 HZ2 LYS 51 -11.958 -5.194 -2.331 375 HZ3 LYS 51 HZ3 LYS 51 -11.035 -6.567 -2.483 376 H THR 52 H THR 52 -4.627 -7.724 -0.329 377 HA THR 52 HA THR 52 -2.751 -5.923 0.827 378 HB THR 52 HB THR 52 -2.923 -8.725 -0.192 379 HG1 THR 52 HG1 THR 52 -1.606 -8.009 2.137 380 HG21 THR 52 HG21 THR 52 -0.763 -8.202 -1.165 381 HG22 THR 52 HG22 THR 52 -0.216 -7.459 0.343 382 HG23 THR 52 HG23 THR 52 -0.557 -9.199 0.267 383 H PHE 53 H PHE 53 -1.821 -4.343 -0.216 384 HA PHE 53 HA PHE 53 -1.281 -4.509 -3.136 385 HB2 PHE 53 HB2 PHE 53 -1.867 -2.222 -1.241 386 HB3 PHE 53 HB3 PHE 53 -0.746 -1.963 -2.577 387 HD1 PHE 53 HD1 PHE 53 -1.476 -2.466 -4.965 388 HD2 PHE 53 HD2 PHE 53 -4.258 -2.351 -1.669 389 HE1 PHE 53 HE1 PHE 53 -3.351 -2.242 -6.559 390 HE2 PHE 53 HE2 PHE 53 -6.137 -2.125 -3.293 391 HZ PHE 53 HZ PHE 53 -5.686 -2.082 -5.729 392 H THR 54 H THR 54 0.869 -4.953 -3.521 393 HA THR 54 HA THR 54 2.760 -4.652 -1.224 394 HB THR 54 HB THR 54 2.468 -6.918 -3.232 395 HG1 THR 54 HG1 THR 54 1.951 -8.089 -1.396 396 HG21 THR 54 HG21 THR 54 4.465 -6.497 -0.967 397 HG22 THR 54 HG22 THR 54 4.205 -8.020 -1.832 398 HG23 THR 54 HG23 THR 54 4.826 -6.622 -2.701 399 H VAL 55 H VAL 55 4.723 -3.880 -1.604 400 HA VAL 55 HA VAL 55 5.615 -3.343 -4.362 401 HB VAL 55 HB VAL 55 5.660 -1.434 -2.005 402 HG11 VAL 55 HG11 VAL 55 6.903 -1.204 -4.778 403 HG12 VAL 55 HG12 VAL 55 6.744 0.150 -3.647 404 HG13 VAL 55 HG13 VAL 55 7.755 -1.226 -3.215 405 HG21 VAL 55 HG21 VAL 55 3.452 -1.537 -3.163 406 HG22 VAL 55 HG22 VAL 55 4.251 -0.001 -3.393 407 HG23 VAL 55 HG23 VAL 55 4.272 -1.196 -4.702 408 H THR 56 H THR 56 7.714 -3.968 -4.695 409 HA THR 56 HA THR 56 9.493 -4.312 -2.383 410 HB THR 56 HB THR 56 8.935 -6.371 -4.533 411 HG1 THR 56 HG1 THR 56 9.096 -7.647 -2.536 412 HG21 THR 56 HG21 THR 56 10.924 -7.587 -3.589 413 HG22 THR 56 HG22 THR 56 11.348 -6.150 -4.528 414 HG23 THR 56 HG23 THR 56 11.379 -6.088 -2.755 415 H GLU 57 H GLU 57 11.262 -3.167 -2.626 416 HA GLU 57 HA GLU 57 11.714 -1.587 -5.045 417 HB2 GLU 57 HB2 GLU 57 12.049 -0.729 -2.719 418 HB3 GLU 57 HB3 GLU 57 13.300 -1.954 -2.452 419 HG2 GLU 57 HG2 GLU 57 14.610 -0.884 -4.345 420 HG3 GLU 57 HG3 GLU 57 13.398 0.403 -4.381 Start of MODEL 4 1 H1 MET 1 H MET 1 -16.996 0.358 2.001 2 HA MET 1 HA MET 1 -16.933 -0.583 -0.220 3 HB2 MET 1 HB2 MET 1 -15.838 1.218 -1.349 4 HB3 MET 1 HB3 MET 1 -14.316 0.945 -0.471 5 HG2 MET 1 HG2 MET 1 -14.072 -1.244 -1.524 6 HG3 MET 1 HG3 MET 1 -15.665 -1.116 -2.268 7 HE1 MET 1 HE1 MET 1 -16.307 0.206 -4.200 8 HE2 MET 1 HE2 MET 1 -15.808 1.795 -3.594 9 HE3 MET 1 HE3 MET 1 -15.269 1.249 -5.191 10 H GLY 2 H GLY 2 -13.639 -0.355 1.622 11 HA2 GLY 2 HA2 GLY 2 -14.110 -2.838 2.776 12 HA3 GLY 2 HA3 GLY 2 -13.211 -3.103 1.275 13 H THR 3 H THR 3 -11.888 -3.917 3.281 14 HA THR 3 HA THR 3 -10.191 -1.801 4.376 15 HB THR 3 HB THR 3 -10.982 -3.384 6.017 16 HG1 THR 3 HG1 THR 3 -8.782 -2.548 6.002 17 HG21 THR 3 HG21 THR 3 -11.347 -5.401 4.658 18 HG22 THR 3 HG22 THR 3 -9.600 -5.557 4.385 19 HG23 THR 3 HG23 THR 3 -10.266 -5.737 6.029 20 H TYR 4 H TYR 4 -7.894 -1.754 3.895 21 HA TYR 4 HA TYR 4 -7.083 -3.448 1.588 22 HB2 TYR 4 HB2 TYR 4 -6.907 -0.419 1.800 23 HB3 TYR 4 HB3 TYR 4 -6.045 -1.392 0.613 24 HD1 TYR 4 HD1 TYR 4 -7.267 -2.674 -1.116 25 HD2 TYR 4 HD2 TYR 4 -9.432 -0.051 1.565 26 HE1 TYR 4 HE1 TYR 4 -9.241 -2.741 -2.619 27 HE2 TYR 4 HE2 TYR 4 -11.339 -0.077 0.052 28 HH TYR 4 HH TYR 4 -11.313 -1.656 -3.132 29 H LYS 5 H LYS 5 -5.069 -4.356 1.909 30 HA LYS 5 HA LYS 5 -3.647 -3.321 4.353 31 HB2 LYS 5 HB2 LYS 5 -4.399 -5.668 4.301 32 HB3 LYS 5 HB3 LYS 5 -3.325 -5.986 2.943 33 HG2 LYS 5 HG2 LYS 5 -1.372 -5.309 4.348 34 HG3 LYS 5 HG3 LYS 5 -2.501 -4.964 5.687 35 HD2 LYS 5 HD2 LYS 5 -3.208 -7.312 5.754 36 HD3 LYS 5 HD3 LYS 5 -2.176 -7.664 4.361 37 HE2 LYS 5 HE2 LYS 5 -1.108 -8.391 6.436 38 HE3 LYS 5 HE3 LYS 5 -0.162 -7.134 5.644 39 HZ1 LYS 5 HZ1 LYS 5 -1.883 -6.817 8.026 40 HZ2 LYS 5 HZ2 LYS 5 -0.228 -6.694 7.905 41 HZ3 LYS 5 HZ3 LYS 5 -1.176 -5.554 7.220 42 H LEU 6 H LEU 6 -1.658 -2.396 4.215 43 HA LEU 6 HA LEU 6 -0.379 -2.048 1.526 44 HB2 LEU 6 HB2 LEU 6 -0.885 -0.237 3.887 45 HB3 LEU 6 HB3 LEU 6 0.442 0.120 2.804 46 HG LEU 6 HG LEU 6 -2.389 -0.215 1.751 47 HD11 LEU 6 HD11 LEU 6 -2.395 1.494 3.561 48 HD12 LEU 6 HD12 LEU 6 -1.064 2.348 2.757 49 HD13 LEU 6 HD13 LEU 6 -2.655 2.215 1.979 50 HD21 LEU 6 HD21 LEU 6 0.131 1.226 0.774 51 HD22 LEU 6 HD22 LEU 6 -0.506 -0.301 0.149 52 HD23 LEU 6 HD23 LEU 6 -1.430 1.184 -0.083 53 H ILE 7 H ILE 7 1.405 -3.234 1.574 54 HA ILE 7 HA ILE 7 3.368 -3.037 3.803 55 HB ILE 7 HB ILE 7 2.495 -5.257 4.000 56 HG12 ILE 7 HG12 ILE 7 5.112 -5.522 2.445 57 HG13 ILE 7 HG13 ILE 7 5.011 -4.894 4.084 58 HG21 ILE 7 HG21 ILE 7 1.393 -5.532 1.822 59 HG22 ILE 7 HG22 ILE 7 2.972 -5.655 1.032 60 HG23 ILE 7 HG23 ILE 7 2.438 -6.909 2.150 61 HD11 ILE 7 HD11 ILE 7 3.951 -7.084 4.790 62 HD12 ILE 7 HD12 ILE 7 4.340 -7.708 3.166 63 HD13 ILE 7 HD13 ILE 7 5.637 -7.185 4.247 64 H LEU 8 H LEU 8 5.334 -2.428 3.318 65 HA LEU 8 HA LEU 8 6.119 -2.091 0.472 66 HB2 LEU 8 HB2 LEU 8 6.774 -0.366 2.910 67 HB3 LEU 8 HB3 LEU 8 7.384 -0.135 1.287 68 HG LEU 8 HG LEU 8 5.743 1.496 1.640 69 HD11 LEU 8 HD11 LEU 8 4.404 -0.662 -0.038 70 HD12 LEU 8 HD12 LEU 8 4.108 1.072 -0.146 71 HD13 LEU 8 HD13 LEU 8 5.689 0.404 -0.608 72 HD21 LEU 8 HD21 LEU 8 4.496 0.302 3.517 73 HD22 LEU 8 HD22 LEU 8 3.560 1.324 2.397 74 HD23 LEU 8 HD23 LEU 8 3.509 -0.430 2.238 75 H ASN 9 H ASN 9 8.056 -3.009 -0.078 76 HA ASN 9 HA ASN 9 9.846 -4.045 2.065 77 HB2 ASN 9 HB2 ASN 9 9.369 -5.314 -0.658 78 HB3 ASN 9 HB3 ASN 9 10.386 -5.904 0.631 79 HD21 ASN 9 HD21 ASN 9 6.462 -6.855 0.523 80 HD22 ASN 9 HD22 ASN 9 7.176 -5.689 -0.600 81 H GLY 10 H GLY 10 11.325 -2.344 2.033 82 HA2 GLY 10 HA2 GLY 10 12.411 -1.380 -0.551 83 HA3 GLY 10 HA3 GLY 10 12.539 -0.595 1.020 84 H LYS 11 H LYS 11 14.815 -0.795 -0.273 85 HA LYS 11 HA LYS 11 16.371 -3.184 0.003 86 HB2 LYS 11 HB2 LYS 11 17.026 -1.379 -1.449 87 HB3 LYS 11 HB3 LYS 11 17.030 -0.202 -0.130 88 HG2 LYS 11 HG2 LYS 11 19.010 -1.290 0.867 89 HG3 LYS 11 HG3 LYS 11 18.965 -2.512 -0.417 90 HD2 LYS 11 HD2 LYS 11 19.324 -0.732 -2.108 91 HD3 LYS 11 HD3 LYS 11 19.392 0.484 -0.811 92 HE2 LYS 11 HE2 LYS 11 21.374 -0.586 0.153 93 HE3 LYS 11 HE3 LYS 11 21.227 -1.936 -0.987 94 HZ1 LYS 11 HZ1 LYS 11 22.899 -0.462 -1.735 95 HZ2 LYS 11 HZ2 LYS 11 21.650 -0.387 -2.791 96 HZ3 LYS 11 HZ3 LYS 11 21.948 0.844 -1.694 97 H THR 12 H THR 12 16.090 -0.348 2.126 98 HA THR 12 HA THR 12 17.158 -1.942 4.385 99 HB THR 12 HB THR 12 18.021 0.603 4.988 100 HG1 THR 12 HG1 THR 12 17.758 1.572 3.039 101 HG21 THR 12 HG21 THR 12 19.465 -1.512 3.338 102 HG22 THR 12 HG22 THR 12 20.232 -0.229 4.294 103 HG23 THR 12 HG23 THR 12 19.325 -1.508 5.115 104 H LEU 13 H LEU 13 14.344 -0.616 3.329 105 HA LEU 13 HA LEU 13 13.431 0.021 6.109 106 HB2 LEU 13 HB2 LEU 13 12.667 1.233 3.422 107 HB3 LEU 13 HB3 LEU 13 11.828 1.587 4.922 108 HG LEU 13 HG LEU 13 14.807 2.126 4.700 109 HD11 LEU 13 HD11 LEU 13 13.770 3.177 2.725 110 HD12 LEU 13 HD12 LEU 13 12.589 3.992 3.772 111 HD13 LEU 13 HD13 LEU 13 14.320 4.382 3.895 112 HD21 LEU 13 HD21 LEU 13 13.693 2.282 6.924 113 HD22 LEU 13 HD22 LEU 13 14.330 3.830 6.358 114 HD23 LEU 13 HD23 LEU 13 12.588 3.508 6.263 115 H LYS 14 H LYS 14 11.612 -1.160 6.742 116 HA LYS 14 HA LYS 14 9.880 -2.310 4.632 117 HB2 LYS 14 HB2 LYS 14 11.591 -4.044 5.225 118 HB3 LYS 14 HB3 LYS 14 11.023 -3.998 6.906 119 HG2 LYS 14 HG2 LYS 14 8.749 -4.672 6.127 120 HG3 LYS 14 HG3 LYS 14 9.331 -4.673 4.452 121 HD2 LYS 14 HD2 LYS 14 10.929 -6.486 5.010 122 HD3 LYS 14 HD3 LYS 14 10.323 -6.487 6.686 123 HE2 LYS 14 HE2 LYS 14 8.016 -6.926 5.808 124 HE3 LYS 14 HE3 LYS 14 8.667 -6.999 4.169 125 HZ1 LYS 14 HZ1 LYS 14 9.309 -8.810 6.400 126 HZ2 LYS 14 HZ2 LYS 14 8.358 -9.175 5.138 127 HZ3 LYS 14 HZ3 LYS 14 9.983 -8.937 4.882 128 H GLY 15 H GLY 15 7.711 -2.196 5.216 129 HA2 GLY 15 HA2 GLY 15 6.916 -2.048 7.987 130 HA3 GLY 15 HA3 GLY 15 6.803 -0.490 7.151 131 H GLU 16 H GLU 16 4.517 -2.005 8.192 132 HA GLU 16 HA GLU 16 3.046 -2.145 5.704 133 HB2 GLU 16 HB2 GLU 16 2.077 -4.331 6.125 134 HB3 GLU 16 HB3 GLU 16 3.827 -4.472 5.977 135 HG2 GLU 16 HG2 GLU 16 4.074 -4.738 8.390 136 HG3 GLU 16 HG3 GLU 16 2.353 -4.411 8.643 137 H THR 17 H THR 17 0.718 -2.181 5.999 138 HA THR 17 HA THR 17 -0.324 -1.745 8.716 139 HB THR 17 HB THR 17 0.592 0.476 8.221 140 HG1 THR 17 HG1 THR 17 -1.120 1.599 8.781 141 HG21 THR 17 HG21 THR 17 0.444 0.463 5.732 142 HG22 THR 17 HG22 THR 17 -1.331 0.605 5.867 143 HG23 THR 17 HG23 THR 17 -0.278 1.902 6.451 144 H THR 18 H THR 18 -2.769 -1.146 8.465 145 HA THR 18 HA THR 18 -4.059 -2.241 6.109 146 HB THR 18 HB THR 18 -3.537 -4.195 7.659 147 HG1 THR 18 HG1 THR 18 -6.297 -3.901 7.235 148 HG21 THR 18 HG21 THR 18 -4.068 -3.155 9.833 149 HG22 THR 18 HG22 THR 18 -5.780 -3.051 9.371 150 HG23 THR 18 HG23 THR 18 -4.996 -4.635 9.539 151 H THR 19 H THR 19 -6.135 -1.250 5.889 152 HA THR 19 HA THR 19 -7.143 0.385 8.069 153 HB THR 19 HB THR 19 -5.238 1.659 7.105 154 HG1 THR 19 HG1 THR 19 -6.197 3.442 7.281 155 HG21 THR 19 HG21 THR 19 -5.246 1.000 4.783 156 HG22 THR 19 HG22 THR 19 -6.868 1.672 4.552 157 HG23 THR 19 HG23 THR 19 -5.488 2.752 4.889 158 H GLU 20 H GLU 20 -9.216 1.625 7.180 159 HA GLU 20 HA GLU 20 -10.576 -0.107 5.192 160 HB2 GLU 20 HB2 GLU 20 -11.206 -0.519 7.609 161 HB3 GLU 20 HB3 GLU 20 -11.871 1.126 7.645 162 HG2 GLU 20 HG2 GLU 20 -13.485 0.546 5.918 163 HG3 GLU 20 HG3 GLU 20 -12.657 -0.969 5.585 164 H ALA 21 H ALA 21 -11.901 0.944 3.649 165 HA ALA 21 HA ALA 21 -11.902 3.914 3.737 166 HB1 ALA 21 HB1 ALA 21 -11.185 2.220 1.300 167 HB2 ALA 21 HB2 ALA 21 -11.237 3.991 1.391 168 HB3 ALA 21 HB3 ALA 21 -10.003 3.092 2.284 169 H VAL 22 H VAL 22 -13.656 4.877 2.867 170 HA VAL 22 HA VAL 22 -16.053 3.374 2.500 171 HB VAL 22 HB VAL 22 -17.094 5.516 2.039 172 HG11 VAL 22 HG11 VAL 22 -15.094 5.807 4.323 173 HG12 VAL 22 HG12 VAL 22 -16.689 6.574 4.173 174 HG13 VAL 22 HG13 VAL 22 -16.570 4.828 4.386 175 HG21 VAL 22 HG21 VAL 22 -15.387 6.665 0.687 176 HG22 VAL 22 HG22 VAL 22 -15.828 7.635 2.093 177 HG23 VAL 22 HG23 VAL 22 -14.295 6.750 2.091 178 H ASP 23 H ASP 23 -13.601 4.658 0.226 179 HA ASP 23 HA ASP 23 -14.841 3.139 -1.964 180 HB2 ASP 23 HB2 ASP 23 -15.816 5.466 -2.013 181 HB3 ASP 23 HB3 ASP 23 -14.168 6.110 -2.079 182 H ALA 24 H ALA 24 -13.163 2.776 -3.706 183 HA ALA 24 HA ALA 24 -10.561 2.586 -2.507 184 HB1 ALA 24 HB1 ALA 24 -11.260 0.850 -3.938 185 HB2 ALA 24 HB2 ALA 24 -11.552 1.959 -5.283 186 HB3 ALA 24 HB3 ALA 24 -9.890 1.662 -4.721 187 H ALA 25 H ALA 25 -12.061 5.137 -4.513 188 HA ALA 25 HA ALA 25 -9.579 6.169 -5.487 189 HB1 ALA 25 HB1 ALA 25 -12.025 7.812 -4.767 190 HB2 ALA 25 HB2 ALA 25 -10.725 8.236 -5.882 191 HB3 ALA 25 HB3 ALA 25 -11.835 6.912 -6.294 192 H THR 26 H THR 26 -11.089 6.263 -2.322 193 HA THR 26 HA THR 26 -9.488 8.472 -1.248 194 HB THR 26 HB THR 26 -11.076 6.241 0.115 195 HG1 THR 26 HG1 THR 26 -12.077 7.914 -1.373 196 HG21 THR 26 HG21 THR 26 -9.504 7.318 1.693 197 HG22 THR 26 HG22 THR 26 -10.142 8.915 1.244 198 HG23 THR 26 HG23 THR 26 -11.180 7.722 2.067 199 H ALA 27 H ALA 27 -9.367 4.894 -1.376 200 HA ALA 27 HA ALA 27 -7.087 4.517 0.276 201 HB1 ALA 27 HB1 ALA 27 -8.725 2.733 -0.346 202 HB2 ALA 27 HB2 ALA 27 -8.083 2.751 -2.012 203 HB3 ALA 27 HB3 ALA 27 -7.047 2.285 -0.658 204 H GLU 28 H GLU 28 -7.450 4.725 -3.312 205 HA GLU 28 HA GLU 28 -4.809 4.526 -4.118 206 HB2 GLU 28 HB2 GLU 28 -6.808 4.622 -5.602 207 HB3 GLU 28 HB3 GLU 28 -7.043 6.315 -5.170 208 HG2 GLU 28 HG2 GLU 28 -4.616 6.650 -6.167 209 HG3 GLU 28 HG3 GLU 28 -4.905 5.092 -6.931 210 H LYS 29 H LYS 29 -6.526 7.457 -2.942 211 HA LYS 29 HA LYS 29 -4.323 9.186 -3.450 212 HB2 LYS 29 HB2 LYS 29 -6.808 9.787 -3.023 213 HB3 LYS 29 HB3 LYS 29 -6.396 9.711 -1.294 214 HG2 LYS 29 HG2 LYS 29 -4.503 11.338 -1.751 215 HG3 LYS 29 HG3 LYS 29 -5.055 11.437 -3.435 216 HD2 LYS 29 HD2 LYS 29 -7.317 12.164 -2.512 217 HD3 LYS 29 HD3 LYS 29 -6.513 12.242 -0.920 218 HE2 LYS 29 HE2 LYS 29 -4.888 13.861 -1.809 219 HE3 LYS 29 HE3 LYS 29 -5.612 13.728 -3.421 220 HZ1 LYS 29 HZ1 LYS 29 -6.355 15.665 -2.179 221 HZ2 LYS 29 HZ2 LYS 29 -7.596 14.699 -2.596 222 HZ3 LYS 29 HZ3 LYS 29 -7.080 14.686 -1.044 223 H VAL 30 H VAL 30 -5.351 7.513 -0.425 224 HA VAL 30 HA VAL 30 -3.176 8.654 1.050 225 HB VAL 30 HB VAL 30 -5.341 7.707 2.029 226 HG11 VAL 30 HG11 VAL 30 -3.733 5.099 2.027 227 HG12 VAL 30 HG12 VAL 30 -5.206 5.430 2.965 228 HG13 VAL 30 HG13 VAL 30 -5.282 5.409 1.212 229 HG21 VAL 30 HG21 VAL 30 -4.201 7.262 4.178 230 HG22 VAL 30 HG22 VAL 30 -2.649 7.053 3.356 231 HG23 VAL 30 HG23 VAL 30 -3.468 8.626 3.359 232 H PHE 31 H PHE 31 -3.452 5.700 -0.951 233 HA PHE 31 HA PHE 31 -1.154 4.353 -0.122 234 HB2 PHE 31 HB2 PHE 31 -2.258 4.723 -2.945 235 HB3 PHE 31 HB3 PHE 31 -1.015 3.589 -2.524 236 HD1 PHE 31 HD1 PHE 31 -3.203 3.332 0.219 237 HD2 PHE 31 HD2 PHE 31 -2.948 2.444 -3.985 238 HE1 PHE 31 HE1 PHE 31 -4.770 1.447 0.527 239 HE2 PHE 31 HE2 PHE 31 -4.551 0.587 -3.685 240 HZ PHE 31 HZ PHE 31 -5.432 0.050 -1.406 241 H LYS 32 H LYS 32 -1.370 7.046 -2.517 242 HA LYS 32 HA LYS 32 1.438 6.953 -3.161 243 HB2 LYS 32 HB2 LYS 32 -0.179 8.041 -4.619 244 HB3 LYS 32 HB3 LYS 32 -0.618 9.204 -3.354 245 HG2 LYS 32 HG2 LYS 32 1.604 10.218 -3.471 246 HG3 LYS 32 HG3 LYS 32 2.167 8.956 -4.590 247 HD2 LYS 32 HD2 LYS 32 0.502 9.688 -6.244 248 HD3 LYS 32 HD3 LYS 32 -0.087 10.949 -5.136 249 HE2 LYS 32 HE2 LYS 32 1.971 12.158 -5.251 250 HE3 LYS 32 HE3 LYS 32 2.825 10.785 -5.972 251 HZ1 LYS 32 HZ1 LYS 32 1.668 11.028 -7.956 252 HZ2 LYS 32 HZ2 LYS 32 0.632 12.171 -7.361 253 HZ3 LYS 32 HZ3 LYS 32 2.229 12.524 -7.578 254 H GLN 33 H GLN 33 -0.340 9.100 -0.856 255 HA GLN 33 HA GLN 33 2.047 10.427 -0.022 256 HB2 GLN 33 HB2 GLN 33 -0.043 11.474 0.357 257 HB3 GLN 33 HB3 GLN 33 -0.702 10.091 1.212 258 HG2 GLN 33 HG2 GLN 33 1.677 11.629 2.339 259 HG3 GLN 33 HG3 GLN 33 0.023 12.225 2.546 260 HE21 GLN 33 HE21 GLN 33 -0.981 9.485 4.732 261 HE22 GLN 33 HE22 GLN 33 -1.614 10.573 3.520 262 H TYR 34 H TYR 34 0.215 7.767 1.571 263 HA TYR 34 HA TYR 34 1.896 7.384 3.714 264 HB2 TYR 34 HB2 TYR 34 -0.345 6.390 3.463 265 HB3 TYR 34 HB3 TYR 34 0.251 5.314 2.198 266 HD1 TYR 34 HD1 TYR 34 1.226 3.195 2.801 267 HD2 TYR 34 HD2 TYR 34 0.832 6.330 5.730 268 HE1 TYR 34 HE1 TYR 34 2.247 1.715 4.480 269 HE2 TYR 34 HE2 TYR 34 1.831 4.861 7.443 270 HH TYR 34 HH TYR 34 3.082 2.901 7.772 271 H ALA 35 H ALA 35 2.069 5.592 0.565 272 HA ALA 35 HA ALA 35 4.325 4.069 1.434 273 HB1 ALA 35 HB1 ALA 35 3.512 4.696 -1.415 274 HB2 ALA 35 HB2 ALA 35 4.362 3.254 -0.792 275 HB3 ALA 35 HB3 ALA 35 2.681 3.499 -0.381 276 H ASN 36 H ASN 36 4.072 7.171 -0.473 277 HA ASN 36 HA ASN 36 6.883 7.354 -0.932 278 HB2 ASN 36 HB2 ASN 36 5.228 8.677 -2.174 279 HB3 ASN 36 HB3 ASN 36 4.841 9.577 -0.693 280 HD21 ASN 36 HD21 ASN 36 8.352 10.349 -2.688 281 HD22 ASN 36 HD22 ASN 36 7.681 8.764 -2.894 282 H ASP 37 H ASP 37 4.910 8.297 1.874 283 HA ASP 37 HA ASP 37 6.887 9.859 3.241 284 HB2 ASP 37 HB2 ASP 37 4.326 9.639 3.627 285 HB3 ASP 37 HB3 ASP 37 4.712 8.185 4.548 286 H ASN 38 H ASN 38 6.502 6.521 2.656 287 HA ASN 38 HA ASN 38 8.200 5.507 4.821 288 HB2 ASN 38 HB2 ASN 38 5.977 4.536 3.445 289 HB3 ASN 38 HB3 ASN 38 7.296 3.704 2.638 290 HD21 ASN 38 HD21 ASN 38 5.959 1.579 5.406 291 HD22 ASN 38 HD22 ASN 38 5.233 2.485 4.109 292 H GLY 39 H GLY 39 8.811 7.057 1.921 293 HA2 GLY 39 HA2 GLY 39 10.663 7.339 0.646 294 HA3 GLY 39 HA3 GLY 39 11.547 6.298 1.763 295 H VAL 40 H VAL 40 8.753 5.280 -0.214 296 HA VAL 40 HA VAL 40 10.236 3.029 -1.278 297 HB VAL 40 HB VAL 40 8.059 2.424 -2.240 298 HG11 VAL 40 HG11 VAL 40 6.745 2.323 -0.158 299 HG12 VAL 40 HG12 VAL 40 8.434 1.805 0.057 300 HG13 VAL 40 HG13 VAL 40 7.898 3.392 0.628 301 HG21 VAL 40 HG21 VAL 40 7.248 5.249 -1.448 302 HG22 VAL 40 HG22 VAL 40 7.118 4.472 -3.017 303 HG23 VAL 40 HG23 VAL 40 6.076 3.957 -1.722 304 H ASP 41 H ASP 41 10.706 2.476 -3.404 305 HA ASP 41 HA ASP 41 9.992 4.289 -5.579 306 HB2 ASP 41 HB2 ASP 41 12.243 4.992 -4.759 307 HB3 ASP 41 HB3 ASP 41 12.852 3.369 -5.100 308 H GLY 42 H GLY 42 8.420 2.531 -6.120 309 HA2 GLY 42 HA2 GLY 42 9.628 0.363 -7.558 310 HA3 GLY 42 HA3 GLY 42 8.981 -0.204 -6.026 311 H GLU 43 H GLU 43 7.949 -1.460 -7.843 312 HA GLU 43 HA GLU 43 5.530 -0.365 -9.077 313 HB2 GLU 43 HB2 GLU 43 5.565 -2.708 -10.172 314 HB3 GLU 43 HB3 GLU 43 6.716 -1.493 -10.701 315 HG2 GLU 43 HG2 GLU 43 8.531 -2.512 -9.440 316 HG3 GLU 43 HG3 GLU 43 7.409 -3.618 -8.643 317 H TRP 44 H TRP 44 3.496 -1.292 -8.817 318 HA TRP 44 HA TRP 44 3.048 -2.683 -6.245 319 HB2 TRP 44 HB2 TRP 44 1.423 -0.799 -7.958 320 HB3 TRP 44 HB3 TRP 44 0.796 -1.563 -6.512 321 HD1 TRP 44 HD1 TRP 44 3.999 0.563 -7.255 322 HE1 TRP 44 HE1 TRP 44 4.440 2.026 -5.273 323 HE3 TRP 44 HE3 TRP 44 -0.096 -0.586 -4.423 324 HZ2 TRP 44 HZ2 TRP 44 2.977 3.029 -3.003 325 HZ3 TRP 44 HZ3 TRP 44 -0.574 0.672 -2.338 326 HH2 TRP 44 HH2 TRP 44 0.970 2.483 -1.601 327 H THR 45 H THR 45 2.084 -4.585 -6.115 328 HA THR 45 HA THR 45 0.320 -5.657 -8.251 329 HB THR 45 HB THR 45 1.012 -7.876 -7.063 330 HG1 THR 45 HG1 THR 45 3.336 -6.383 -6.511 331 HG21 THR 45 HG21 THR 45 2.994 -6.401 -8.812 332 HG22 THR 45 HG22 THR 45 2.925 -8.182 -8.555 333 HG23 THR 45 HG23 THR 45 1.599 -7.348 -9.376 334 H TYR 46 H TYR 46 -1.517 -7.074 -7.259 335 HA TYR 46 HA TYR 46 -2.154 -6.321 -4.476 336 HB2 TYR 46 HB2 TYR 46 -3.244 -4.666 -5.793 337 HB3 TYR 46 HB3 TYR 46 -3.785 -5.846 -6.966 338 HD1 TYR 46 HD1 TYR 46 -4.259 -4.906 -3.369 339 HD2 TYR 46 HD2 TYR 46 -5.921 -6.764 -6.882 340 HE1 TYR 46 HE1 TYR 46 -6.502 -4.948 -2.294 341 HE2 TYR 46 HE2 TYR 46 -8.149 -6.816 -5.826 342 HH TYR 46 HH TYR 46 -9.248 -6.580 -3.541 343 H ASP 47 H ASP 47 -3.400 -7.761 -3.364 344 HA ASP 47 HA ASP 47 -4.263 -10.269 -4.700 345 HB2 ASP 47 HB2 ASP 47 -2.066 -10.126 -2.924 346 HB3 ASP 47 HB3 ASP 47 -3.396 -10.731 -1.949 347 H ASP 48 H ASP 48 -6.460 -10.049 -4.629 348 HA ASP 48 HA ASP 48 -7.865 -8.386 -2.841 349 HB2 ASP 48 HB2 ASP 48 -8.579 -9.260 -5.137 350 HB3 ASP 48 HB3 ASP 48 -9.054 -10.753 -4.314 351 H ALA 49 H ALA 49 -6.595 -11.450 -2.230 352 HA ALA 49 HA ALA 49 -8.417 -12.694 -0.525 353 HB1 ALA 49 HB1 ALA 49 -5.369 -12.624 -0.433 354 HB2 ALA 49 HB2 ALA 49 -6.373 -13.799 0.425 355 HB3 ALA 49 HB3 ALA 49 -6.382 -13.772 -1.344 356 H THR 50 H THR 50 -5.915 -10.249 0.330 357 HA THR 50 HA THR 50 -7.477 -9.645 2.755 358 HB THR 50 HB THR 50 -6.112 -10.376 4.216 359 HG1 THR 50 HG1 THR 50 -5.016 -8.307 3.857 360 HG21 THR 50 HG21 THR 50 -4.096 -11.158 2.081 361 HG22 THR 50 HG22 THR 50 -4.082 -11.677 3.775 362 HG23 THR 50 HG23 THR 50 -5.402 -12.179 2.730 363 H LYS 51 H LYS 51 -6.659 -8.489 -0.132 364 HA LYS 51 HA LYS 51 -6.691 -6.794 -1.193 365 HB2 LYS 51 HB2 LYS 51 -7.818 -5.552 1.319 366 HB3 LYS 51 HB3 LYS 51 -7.842 -4.790 -0.284 367 HG2 LYS 51 HG2 LYS 51 -9.086 -6.781 -1.174 368 HG3 LYS 51 HG3 LYS 51 -9.142 -7.465 0.444 369 HD2 LYS 51 HD2 LYS 51 -10.514 -5.713 1.269 370 HD3 LYS 51 HD3 LYS 51 -10.389 -4.770 -0.236 371 HE2 LYS 51 HE2 LYS 51 -11.560 -7.560 0.053 372 HE3 LYS 51 HE3 LYS 51 -12.530 -6.091 0.186 373 HZ1 LYS 51 HZ1 LYS 51 -12.598 -7.070 -2.034 374 HZ2 LYS 51 HZ2 LYS 51 -11.975 -5.554 -2.099 375 HZ3 LYS 51 HZ3 LYS 51 -11.009 -6.889 -2.228 376 H THR 52 H THR 52 -4.433 -7.758 -0.025 377 HA THR 52 HA THR 52 -2.654 -5.837 0.989 378 HB THR 52 HB THR 52 -1.931 -8.439 -0.369 379 HG1 THR 52 HG1 THR 52 -2.581 -9.566 1.348 380 HG21 THR 52 HG21 THR 52 -0.083 -7.116 0.572 381 HG22 THR 52 HG22 THR 52 -0.911 -7.036 2.144 382 HG23 THR 52 HG23 THR 52 -0.325 -8.590 1.523 383 H PHE 53 H PHE 53 -1.513 -4.399 -0.031 384 HA PHE 53 HA PHE 53 -0.982 -4.591 -2.942 385 HB2 PHE 53 HB2 PHE 53 -1.385 -2.311 -0.986 386 HB3 PHE 53 HB3 PHE 53 -0.367 -2.079 -2.394 387 HD1 PHE 53 HD1 PHE 53 -1.287 -2.422 -4.725 388 HD2 PHE 53 HD2 PHE 53 -3.829 -2.452 -1.238 389 HE1 PHE 53 HE1 PHE 53 -3.243 -2.019 -6.163 390 HE2 PHE 53 HE2 PHE 53 -5.802 -2.089 -2.710 391 HZ PHE 53 HZ PHE 53 -5.495 -1.853 -5.184 392 H THR 54 H THR 54 1.009 -5.492 -3.221 393 HA THR 54 HA THR 54 3.037 -5.169 -1.053 394 HB THR 54 HB THR 54 3.159 -7.312 -3.185 395 HG1 THR 54 HG1 THR 54 1.166 -7.533 -2.194 396 HG21 THR 54 HG21 THR 54 4.097 -7.267 -0.270 397 HG22 THR 54 HG22 THR 54 4.422 -8.532 -1.478 398 HG23 THR 54 HG23 THR 54 5.131 -6.930 -1.670 399 H VAL 55 H VAL 55 4.994 -4.242 -1.548 400 HA VAL 55 HA VAL 55 5.587 -3.481 -4.349 401 HB VAL 55 HB VAL 55 5.572 -1.739 -1.855 402 HG11 VAL 55 HG11 VAL 55 6.940 -1.118 -4.509 403 HG12 VAL 55 HG12 VAL 55 6.684 0.029 -3.173 404 HG13 VAL 55 HG13 VAL 55 7.752 -1.348 -2.940 405 HG21 VAL 55 HG21 VAL 55 3.480 -1.785 -3.223 406 HG22 VAL 55 HG22 VAL 55 4.271 -0.205 -3.239 407 HG23 VAL 55 HG23 VAL 55 4.436 -1.287 -4.639 408 H THR 56 H THR 56 7.697 -3.961 -4.854 409 HA THR 56 HA THR 56 9.591 -4.472 -2.665 410 HB THR 56 HB THR 56 9.231 -6.265 -5.083 411 HG1 THR 56 HG1 THR 56 8.981 -7.521 -2.742 412 HG21 THR 56 HG21 THR 56 10.915 -7.667 -3.965 413 HG22 THR 56 HG22 THR 56 11.583 -6.061 -4.292 414 HG23 THR 56 HG23 THR 56 11.066 -6.482 -2.643 415 H GLU 57 H GLU 57 10.871 -2.786 -2.832 416 HA GLU 57 HA GLU 57 11.374 -1.114 -5.086 417 HB2 GLU 57 HB2 GLU 57 11.802 -0.515 -2.692 418 HB3 GLU 57 HB3 GLU 57 13.040 -1.752 -2.613 419 HG2 GLU 57 HG2 GLU 57 14.262 -0.433 -4.479 420 HG3 GLU 57 HG3 GLU 57 13.163 0.892 -4.061 Start of MODEL 5 1 H1 MET 1 H MET 1 -17.170 1.336 2.346 2 HA MET 1 HA MET 1 -17.135 0.196 0.270 3 HB2 MET 1 HB2 MET 1 -15.695 1.945 -0.767 4 HB3 MET 1 HB3 MET 1 -14.276 1.232 0.010 5 HG2 MET 1 HG2 MET 1 -14.292 0.427 -2.237 6 HG3 MET 1 HG3 MET 1 -14.859 -0.930 -1.244 7 HE1 MET 1 HE1 MET 1 -17.490 1.839 -3.846 8 HE2 MET 1 HE2 MET 1 -16.085 2.306 -2.864 9 HE3 MET 1 HE3 MET 1 -15.845 1.413 -4.381 10 H GLY 2 H GLY 2 -13.681 -0.110 1.265 11 HA2 GLY 2 HA2 GLY 2 -14.313 -2.642 2.658 12 HA3 GLY 2 HA3 GLY 2 -13.222 -2.676 1.289 13 H THR 3 H THR 3 -11.931 -3.636 3.208 14 HA THR 3 HA THR 3 -10.134 -1.497 4.237 15 HB THR 3 HB THR 3 -11.019 -2.761 6.106 16 HG1 THR 3 HG1 THR 3 -8.767 -2.325 6.090 17 HG21 THR 3 HG21 THR 3 -11.793 -4.802 4.977 18 HG22 THR 3 HG22 THR 3 -10.115 -5.264 4.629 19 HG23 THR 3 HG23 THR 3 -10.690 -5.210 6.306 20 H TYR 4 H TYR 4 -7.916 -1.729 3.883 21 HA TYR 4 HA TYR 4 -7.174 -3.609 1.708 22 HB2 TYR 4 HB2 TYR 4 -6.777 -0.589 1.677 23 HB3 TYR 4 HB3 TYR 4 -6.167 -1.713 0.469 24 HD1 TYR 4 HD1 TYR 4 -7.851 -2.923 -1.011 25 HD2 TYR 4 HD2 TYR 4 -9.040 0.153 1.714 26 HE1 TYR 4 HE1 TYR 4 -9.975 -2.760 -2.190 27 HE2 TYR 4 HE2 TYR 4 -11.237 0.334 0.513 28 HH TYR 4 HH TYR 4 -12.103 -1.804 -2.183 29 H LYS 5 H LYS 5 -5.417 -4.698 2.310 30 HA LYS 5 HA LYS 5 -3.620 -3.658 4.347 31 HB2 LYS 5 HB2 LYS 5 -4.520 -6.111 3.920 32 HB3 LYS 5 HB3 LYS 5 -3.125 -6.234 2.840 33 HG2 LYS 5 HG2 LYS 5 -1.638 -5.610 4.774 34 HG3 LYS 5 HG3 LYS 5 -3.071 -5.462 5.804 35 HD2 LYS 5 HD2 LYS 5 -3.589 -7.879 5.337 36 HD3 LYS 5 HD3 LYS 5 -2.057 -7.989 4.435 37 HE2 LYS 5 HE2 LYS 5 -0.761 -7.447 6.404 38 HE3 LYS 5 HE3 LYS 5 -2.210 -7.000 7.314 39 HZ1 LYS 5 HZ1 LYS 5 -2.907 -9.308 7.260 40 HZ2 LYS 5 HZ2 LYS 5 -1.604 -9.741 6.358 41 HZ3 LYS 5 HZ3 LYS 5 -1.394 -9.217 7.901 42 H LEU 6 H LEU 6 -1.304 -3.479 4.244 43 HA LEU 6 HA LEU 6 -0.118 -3.015 1.595 44 HB2 LEU 6 HB2 LEU 6 -1.172 -0.938 3.276 45 HB3 LEU 6 HB3 LEU 6 0.584 -0.835 3.369 46 HG LEU 6 HG LEU 6 -0.759 -0.986 0.664 47 HD11 LEU 6 HD11 LEU 6 -1.959 0.885 1.463 48 HD12 LEU 6 HD12 LEU 6 -0.621 1.420 2.500 49 HD13 LEU 6 HD13 LEU 6 -0.516 1.634 0.751 50 HD21 LEU 6 HD21 LEU 6 1.909 -0.381 1.790 51 HD22 LEU 6 HD22 LEU 6 1.458 -1.016 0.199 52 HD23 LEU 6 HD23 LEU 6 1.379 0.733 0.510 53 H ILE 7 H ILE 7 2.026 -3.609 1.560 54 HA ILE 7 HA ILE 7 3.676 -3.285 3.918 55 HB ILE 7 HB ILE 7 3.068 -5.516 4.397 56 HG12 ILE 7 HG12 ILE 7 5.636 -5.766 2.785 57 HG13 ILE 7 HG13 ILE 7 5.510 -5.103 4.420 58 HG21 ILE 7 HG21 ILE 7 1.840 -6.273 2.521 59 HG22 ILE 7 HG22 ILE 7 3.203 -6.019 1.409 60 HG23 ILE 7 HG23 ILE 7 3.252 -7.348 2.564 61 HD11 ILE 7 HD11 ILE 7 4.931 -7.971 3.579 62 HD12 ILE 7 HD12 ILE 7 6.257 -7.377 4.588 63 HD13 ILE 7 HD13 ILE 7 4.592 -7.311 5.198 64 H LEU 8 H LEU 8 5.470 -2.241 3.298 65 HA LEU 8 HA LEU 8 6.036 -1.974 0.442 66 HB2 LEU 8 HB2 LEU 8 7.221 -0.641 2.924 67 HB3 LEU 8 HB3 LEU 8 7.575 -0.182 1.261 68 HG LEU 8 HG LEU 8 6.018 1.431 2.013 69 HD11 LEU 8 HD11 LEU 8 4.464 -0.728 0.516 70 HD12 LEU 8 HD12 LEU 8 3.835 0.903 0.832 71 HD13 LEU 8 HD13 LEU 8 5.268 0.696 -0.179 72 HD21 LEU 8 HD21 LEU 8 5.390 -0.259 3.988 73 HD22 LEU 8 HD22 LEU 8 4.343 1.101 3.548 74 HD23 LEU 8 HD23 LEU 8 3.963 -0.534 2.965 75 H ASN 9 H ASN 9 8.279 -2.212 -0.383 76 HA ASN 9 HA ASN 9 10.179 -3.635 1.401 77 HB2 ASN 9 HB2 ASN 9 9.278 -5.100 -0.474 78 HB3 ASN 9 HB3 ASN 9 9.989 -3.973 -1.624 79 HD21 ASN 9 HD21 ASN 9 13.291 -5.225 -1.133 80 HD22 ASN 9 HD22 ASN 9 12.352 -3.871 -1.752 81 H GLY 10 H GLY 10 11.934 -2.390 1.854 82 HA2 GLY 10 HA2 GLY 10 12.908 -0.425 -0.155 83 HA3 GLY 10 HA3 GLY 10 12.566 0.104 1.480 84 H LYS 11 H LYS 11 15.084 0.198 0.087 85 HA LYS 11 HA LYS 11 16.929 -1.764 0.578 86 HB2 LYS 11 HB2 LYS 11 17.266 0.446 -0.607 87 HB3 LYS 11 HB3 LYS 11 17.493 1.209 0.971 88 HG2 LYS 11 HG2 LYS 11 19.430 -0.416 1.357 89 HG3 LYS 11 HG3 LYS 11 19.176 -1.012 -0.293 90 HD2 LYS 11 HD2 LYS 11 19.542 1.340 -1.128 91 HD3 LYS 11 HD3 LYS 11 19.952 1.815 0.539 92 HE2 LYS 11 HE2 LYS 11 21.715 -0.013 0.539 93 HE3 LYS 11 HE3 LYS 11 21.373 -0.277 -1.177 94 HZ1 LYS 11 HZ1 LYS 11 22.067 1.976 -1.633 95 HZ2 LYS 11 HZ2 LYS 11 22.291 2.302 -0.040 96 HZ3 LYS 11 HZ3 LYS 11 23.269 1.222 -0.800 97 H THR 12 H THR 12 16.357 0.817 3.046 98 HA THR 12 HA THR 12 17.966 -0.732 4.992 99 HB THR 12 HB THR 12 17.832 1.506 6.266 100 HG1 THR 12 HG1 THR 12 17.397 3.279 4.902 101 HG21 THR 12 HG21 THR 12 19.284 1.430 3.588 102 HG22 THR 12 HG22 THR 12 19.605 2.579 4.903 103 HG23 THR 12 HG23 THR 12 19.900 0.848 5.147 104 H LEU 13 H LEU 13 14.713 0.385 4.291 105 HA LEU 13 HA LEU 13 13.870 -0.072 7.102 106 HB2 LEU 13 HB2 LEU 13 14.279 2.361 6.462 107 HB3 LEU 13 HB3 LEU 13 13.002 2.198 5.259 108 HG LEU 13 HG LEU 13 11.345 1.783 7.050 109 HD11 LEU 13 HD11 LEU 13 12.520 0.752 8.847 110 HD12 LEU 13 HD12 LEU 13 13.772 2.013 8.861 111 HD13 LEU 13 HD13 LEU 13 12.150 2.379 9.456 112 HD21 LEU 13 HD21 LEU 13 13.054 4.263 7.067 113 HD22 LEU 13 HD22 LEU 13 11.407 4.033 6.459 114 HD23 LEU 13 HD23 LEU 13 11.701 4.119 8.209 115 H LYS 14 H LYS 14 11.936 -1.138 7.350 116 HA LYS 14 HA LYS 14 10.232 -1.502 4.928 117 HB2 LYS 14 HB2 LYS 14 11.463 -3.507 6.747 118 HB3 LYS 14 HB3 LYS 14 9.767 -3.809 6.356 119 HG2 LYS 14 HG2 LYS 14 10.318 -3.794 3.941 120 HG3 LYS 14 HG3 LYS 14 11.970 -3.271 4.303 121 HD2 LYS 14 HD2 LYS 14 12.460 -5.382 5.409 122 HD3 LYS 14 HD3 LYS 14 10.759 -5.895 5.267 123 HE2 LYS 14 HE2 LYS 14 10.919 -5.870 2.812 124 HE3 LYS 14 HE3 LYS 14 12.569 -5.241 2.896 125 HZ1 LYS 14 HZ1 LYS 14 12.495 -7.650 2.522 126 HZ2 LYS 14 HZ2 LYS 14 13.271 -7.293 3.924 127 HZ3 LYS 14 HZ3 LYS 14 11.736 -7.876 3.963 128 H GLY 15 H GLY 15 7.976 -2.574 5.663 129 HA2 GLY 15 HA2 GLY 15 6.858 -2.047 8.184 130 HA3 GLY 15 HA3 GLY 15 6.543 -0.632 7.201 131 H GLU 16 H GLU 16 4.636 -2.538 8.316 132 HA GLU 16 HA GLU 16 3.097 -3.066 5.857 133 HB2 GLU 16 HB2 GLU 16 2.343 -5.201 6.702 134 HB3 GLU 16 HB3 GLU 16 4.109 -5.225 6.626 135 HG2 GLU 16 HG2 GLU 16 3.981 -4.554 9.165 136 HG3 GLU 16 HG3 GLU 16 2.293 -5.082 9.051 137 H THR 17 H THR 17 0.778 -2.937 6.266 138 HA THR 17 HA THR 17 -0.382 -2.262 8.784 139 HB THR 17 HB THR 17 0.898 -0.093 8.089 140 HG1 THR 17 HG1 THR 17 -0.834 1.108 8.910 141 HG21 THR 17 HG21 THR 17 -0.170 1.376 6.521 142 HG22 THR 17 HG22 THR 17 0.029 -0.176 5.686 143 HG23 THR 17 HG23 THR 17 -1.554 0.286 6.343 144 H THR 18 H THR 18 -2.713 -1.476 8.404 145 HA THR 18 HA THR 18 -3.800 -2.103 5.720 146 HB THR 18 HB THR 18 -4.253 -3.953 7.464 147 HG1 THR 18 HG1 THR 18 -6.704 -3.513 6.891 148 HG21 THR 18 HG21 THR 18 -6.223 -3.490 8.955 149 HG22 THR 18 HG22 THR 18 -4.746 -2.628 9.432 150 HG23 THR 18 HG23 THR 18 -6.041 -1.765 8.584 151 H THR 19 H THR 19 -5.914 -1.053 5.357 152 HA THR 19 HA THR 19 -6.529 1.287 7.065 153 HB THR 19 HB THR 19 -6.785 2.748 5.181 154 HG1 THR 19 HG1 THR 19 -6.359 1.963 3.070 155 HG21 THR 19 HG21 THR 19 -4.445 2.607 5.922 156 HG22 THR 19 HG22 THR 19 -4.173 1.231 4.836 157 HG23 THR 19 HG23 THR 19 -4.529 2.833 4.157 158 H GLU 20 H GLU 20 -8.739 2.088 6.705 159 HA GLU 20 HA GLU 20 -10.615 0.256 5.347 160 HB2 GLU 20 HB2 GLU 20 -10.778 -0.402 7.640 161 HB3 GLU 20 HB3 GLU 20 -10.740 1.269 8.213 162 HG2 GLU 20 HG2 GLU 20 -12.982 1.669 7.300 163 HG3 GLU 20 HG3 GLU 20 -12.984 0.076 6.526 164 H ALA 21 H ALA 21 -11.959 1.430 3.994 165 HA ALA 21 HA ALA 21 -11.517 4.372 3.993 166 HB1 ALA 21 HB1 ALA 21 -11.762 2.644 1.503 167 HB2 ALA 21 HB2 ALA 21 -11.057 4.269 1.663 168 HB3 ALA 21 HB3 ALA 21 -10.197 2.867 2.317 169 H VAL 22 H VAL 22 -13.195 5.671 3.214 170 HA VAL 22 HA VAL 22 -15.886 4.612 3.568 171 HB VAL 22 HB VAL 22 -16.539 7.046 3.321 172 HG11 VAL 22 HG11 VAL 22 -14.466 6.510 5.488 173 HG12 VAL 22 HG12 VAL 22 -15.702 7.780 5.495 174 HG13 VAL 22 HG13 VAL 22 -16.189 6.080 5.568 175 HG21 VAL 22 HG21 VAL 22 -14.625 7.779 1.931 176 HG22 VAL 22 HG22 VAL 22 -14.865 8.786 3.370 177 HG23 VAL 22 HG23 VAL 22 -13.550 7.602 3.338 178 H ASP 23 H ASP 23 -13.735 5.533 0.962 179 HA ASP 23 HA ASP 23 -15.586 4.393 -1.002 180 HB2 ASP 23 HB2 ASP 23 -15.786 6.999 -0.877 181 HB3 ASP 23 HB3 ASP 23 -14.183 7.005 -1.613 182 H ALA 24 H ALA 24 -14.377 3.853 -3.035 183 HA ALA 24 HA ALA 24 -11.820 2.635 -2.453 184 HB1 ALA 24 HB1 ALA 24 -13.341 1.385 -3.788 185 HB2 ALA 24 HB2 ALA 24 -13.685 2.808 -4.859 186 HB3 ALA 24 HB3 ALA 24 -12.111 1.967 -4.914 187 H ALA 25 H ALA 25 -12.863 5.690 -3.687 188 HA ALA 25 HA ALA 25 -10.532 6.284 -5.315 189 HB1 ALA 25 HB1 ALA 25 -12.607 7.300 -5.970 190 HB2 ALA 25 HB2 ALA 25 -12.941 7.869 -4.321 191 HB3 ALA 25 HB3 ALA 25 -11.637 8.610 -5.262 192 H THR 26 H THR 26 -11.622 6.895 -1.978 193 HA THR 26 HA THR 26 -9.488 8.538 -1.069 194 HB THR 26 HB THR 26 -10.883 6.418 0.592 195 HG1 THR 26 HG1 THR 26 -11.928 8.995 0.268 196 HG21 THR 26 HG21 THR 26 -10.794 8.266 2.323 197 HG22 THR 26 HG22 THR 26 -9.212 7.630 1.829 198 HG23 THR 26 HG23 THR 26 -9.781 9.185 1.192 199 H ALA 27 H ALA 27 -9.911 4.973 -1.015 200 HA ALA 27 HA ALA 27 -7.403 4.267 0.054 201 HB1 ALA 27 HB1 ALA 27 -9.359 2.747 -0.130 202 HB2 ALA 27 HB2 ALA 27 -9.209 2.757 -1.901 203 HB3 ALA 27 HB3 ALA 27 -7.927 2.039 -0.911 204 H GLU 28 H GLU 28 -8.428 4.524 -3.397 205 HA GLU 28 HA GLU 28 -6.061 3.853 -4.695 206 HB2 GLU 28 HB2 GLU 28 -8.478 5.546 -5.291 207 HB3 GLU 28 HB3 GLU 28 -7.115 5.604 -6.414 208 HG2 GLU 28 HG2 GLU 28 -7.284 3.116 -6.686 209 HG3 GLU 28 HG3 GLU 28 -8.665 3.111 -5.578 210 H LYS 29 H LYS 29 -7.145 7.028 -3.397 211 HA LYS 29 HA LYS 29 -4.748 8.414 -4.123 212 HB2 LYS 29 HB2 LYS 29 -7.056 8.989 -2.245 213 HB3 LYS 29 HB3 LYS 29 -5.676 10.088 -2.326 214 HG2 LYS 29 HG2 LYS 29 -7.219 9.193 -4.815 215 HG3 LYS 29 HG3 LYS 29 -7.725 10.580 -3.834 216 HD2 LYS 29 HD2 LYS 29 -5.492 11.625 -4.191 217 HD3 LYS 29 HD3 LYS 29 -5.026 10.240 -5.211 218 HE2 LYS 29 HE2 LYS 29 -6.854 10.726 -6.777 219 HE3 LYS 29 HE3 LYS 29 -7.453 12.019 -5.732 220 HZ1 LYS 29 HZ1 LYS 29 -6.195 13.256 -7.130 221 HZ2 LYS 29 HZ2 LYS 29 -4.968 12.845 -6.118 222 HZ3 LYS 29 HZ3 LYS 29 -5.170 12.034 -7.531 223 H VAL 30 H VAL 30 -5.622 6.868 -1.007 224 HA VAL 30 HA VAL 30 -3.597 7.779 0.612 225 HB VAL 30 HB VAL 30 -5.315 5.329 0.557 226 HG11 VAL 30 HG11 VAL 30 -3.028 5.521 2.586 227 HG12 VAL 30 HG12 VAL 30 -4.268 4.226 2.473 228 HG13 VAL 30 HG13 VAL 30 -3.067 4.414 1.187 229 HG21 VAL 30 HG21 VAL 30 -6.056 6.137 2.709 230 HG22 VAL 30 HG22 VAL 30 -4.762 7.317 2.824 231 HG23 VAL 30 HG23 VAL 30 -6.098 7.505 1.557 232 H PHE 31 H PHE 31 -3.517 4.961 -1.623 233 HA PHE 31 HA PHE 31 -1.225 3.686 -0.864 234 HB2 PHE 31 HB2 PHE 31 -2.139 4.216 -3.724 235 HB3 PHE 31 HB3 PHE 31 -1.057 2.927 -3.217 236 HD1 PHE 31 HD1 PHE 31 -2.751 2.401 -0.549 237 HD2 PHE 31 HD2 PHE 31 -3.753 2.725 -4.731 238 HE1 PHE 31 HE1 PHE 31 -4.771 1.009 -0.175 239 HE2 PHE 31 HE2 PHE 31 -5.776 1.334 -4.351 240 HZ PHE 31 HZ PHE 31 -6.287 0.476 -2.074 241 H LYS 32 H LYS 32 -1.342 6.435 -3.175 242 HA LYS 32 HA LYS 32 1.490 6.513 -3.538 243 HB2 LYS 32 HB2 LYS 32 -0.815 8.331 -4.265 244 HB3 LYS 32 HB3 LYS 32 0.844 8.875 -4.539 245 HG2 LYS 32 HG2 LYS 32 1.130 6.568 -5.784 246 HG3 LYS 32 HG3 LYS 32 -0.639 6.500 -5.731 247 HD2 LYS 32 HD2 LYS 32 -0.758 8.671 -6.920 248 HD3 LYS 32 HD3 LYS 32 1.021 8.744 -6.959 249 HE2 LYS 32 HE2 LYS 32 1.095 6.636 -8.253 250 HE3 LYS 32 HE3 LYS 32 -0.667 6.504 -8.174 251 HZ1 LYS 32 HZ1 LYS 32 0.857 8.636 -9.561 252 HZ2 LYS 32 HZ2 LYS 32 -0.015 7.441 -10.277 253 HZ3 LYS 32 HZ3 LYS 32 -0.784 8.613 -9.421 254 H GLN 33 H GLN 33 -0.529 8.186 -1.155 255 HA GLN 33 HA GLN 33 1.556 10.081 -0.411 256 HB2 GLN 33 HB2 GLN 33 -0.656 10.907 -0.280 257 HB3 GLN 33 HB3 GLN 33 -1.274 9.430 0.470 258 HG2 GLN 33 HG2 GLN 33 0.782 11.007 1.995 259 HG3 GLN 33 HG3 GLN 33 -0.843 11.690 1.865 260 HE21 GLN 33 HE21 GLN 33 -2.181 8.741 3.688 261 HE22 GLN 33 HE22 GLN 33 -2.538 9.492 2.132 262 H TYR 34 H TYR 34 0.084 7.059 0.866 263 HA TYR 34 HA TYR 34 1.203 7.069 3.438 264 HB2 TYR 34 HB2 TYR 34 -0.588 5.575 2.903 265 HB3 TYR 34 HB3 TYR 34 0.305 4.853 1.570 266 HD1 TYR 34 HD1 TYR 34 1.238 2.720 1.964 267 HD2 TYR 34 HD2 TYR 34 0.683 5.445 5.270 268 HE1 TYR 34 HE1 TYR 34 2.117 1.001 3.517 269 HE2 TYR 34 HE2 TYR 34 1.587 3.709 6.836 270 HH TYR 34 HH TYR 34 2.641 0.488 5.696 271 H ALA 35 H ALA 35 2.501 5.325 0.532 272 HA ALA 35 HA ALA 35 4.604 4.118 2.092 273 HB1 ALA 35 HB1 ALA 35 4.024 4.141 -0.911 274 HB2 ALA 35 HB2 ALA 35 5.179 3.063 -0.094 275 HB3 ALA 35 HB3 ALA 35 3.446 2.929 0.256 276 H ASN 36 H ASN 36 4.289 7.017 0.180 277 HA ASN 36 HA ASN 36 7.029 7.509 -0.447 278 HB2 ASN 36 HB2 ASN 36 5.184 8.624 -1.638 279 HB3 ASN 36 HB3 ASN 36 4.618 9.359 -0.122 280 HD21 ASN 36 HD21 ASN 36 7.894 10.909 -2.085 281 HD22 ASN 36 HD22 ASN 36 7.408 9.247 -2.403 282 H ASP 37 H ASP 37 5.157 7.830 2.521 283 HA ASP 37 HA ASP 37 7.062 9.382 4.032 284 HB2 ASP 37 HB2 ASP 37 4.516 9.016 4.424 285 HB3 ASP 37 HB3 ASP 37 4.981 7.459 5.109 286 H ASN 38 H ASN 38 6.778 6.053 2.996 287 HA ASN 38 HA ASN 38 8.650 5.033 5.033 288 HB2 ASN 38 HB2 ASN 38 6.386 3.928 4.055 289 HB3 ASN 38 HB3 ASN 38 7.509 3.316 2.845 290 HD21 ASN 38 HD21 ASN 38 7.176 0.882 5.721 291 HD22 ASN 38 HD22 ASN 38 6.031 1.643 4.600 292 H GLY 39 H GLY 39 8.731 6.423 1.903 293 HA2 GLY 39 HA2 GLY 39 10.484 6.827 0.483 294 HA3 GLY 39 HA3 GLY 39 11.559 6.010 1.601 295 H VAL 40 H VAL 40 9.137 5.454 -0.937 296 HA VAL 40 HA VAL 40 10.376 2.849 -1.635 297 HB VAL 40 HB VAL 40 8.135 2.180 -2.502 298 HG11 VAL 40 HG11 VAL 40 7.953 2.962 0.444 299 HG12 VAL 40 HG12 VAL 40 7.105 1.641 -0.404 300 HG13 VAL 40 HG13 VAL 40 8.843 1.525 -0.182 301 HG21 VAL 40 HG21 VAL 40 6.946 4.563 -1.071 302 HG22 VAL 40 HG22 VAL 40 7.317 4.576 -2.805 303 HG23 VAL 40 HG23 VAL 40 6.143 3.414 -2.167 304 H ASP 41 H ASP 41 10.813 2.456 -3.809 305 HA ASP 41 HA ASP 41 9.933 4.278 -5.923 306 HB2 ASP 41 HB2 ASP 41 12.160 5.120 -4.922 307 HB3 ASP 41 HB3 ASP 41 12.882 3.651 -5.576 308 H GLY 42 H GLY 42 8.934 1.768 -5.462 309 HA2 GLY 42 HA2 GLY 42 10.440 -0.102 -7.230 310 HA3 GLY 42 HA3 GLY 42 9.406 -0.591 -5.903 311 H GLU 43 H GLU 43 7.782 -1.711 -6.814 312 HA GLU 43 HA GLU 43 5.985 -0.479 -8.767 313 HB2 GLU 43 HB2 GLU 43 6.123 -2.303 -10.323 314 HB3 GLU 43 HB3 GLU 43 7.761 -1.677 -10.095 315 HG2 GLU 43 HG2 GLU 43 8.202 -3.576 -8.497 316 HG3 GLU 43 HG3 GLU 43 6.576 -4.191 -8.834 317 H TRP 44 H TRP 44 3.909 -1.789 -8.851 318 HA TRP 44 HA TRP 44 3.400 -2.690 -6.060 319 HB2 TRP 44 HB2 TRP 44 2.091 -0.541 -7.734 320 HB3 TRP 44 HB3 TRP 44 1.190 -1.340 -6.450 321 HD1 TRP 44 HD1 TRP 44 4.756 0.199 -6.665 322 HE1 TRP 44 HE1 TRP 44 5.106 1.787 -4.693 323 HE3 TRP 44 HE3 TRP 44 0.201 -0.338 -4.389 324 HZ2 TRP 44 HZ2 TRP 44 3.577 2.758 -2.426 325 HZ3 TRP 44 HZ3 TRP 44 -0.332 0.949 -2.338 326 HH2 TRP 44 HH2 TRP 44 1.340 2.494 -1.349 327 H THR 45 H THR 45 2.058 -4.383 -5.756 328 HA THR 45 HA THR 45 0.601 -5.559 -8.064 329 HB THR 45 HB THR 45 2.452 -6.990 -6.115 330 HG1 THR 45 HG1 THR 45 3.508 -6.139 -7.884 331 HG21 THR 45 HG21 THR 45 0.408 -8.347 -6.476 332 HG22 THR 45 HG22 THR 45 0.636 -8.203 -8.232 333 HG23 THR 45 HG23 THR 45 1.830 -9.072 -7.252 334 H TYR 46 H TYR 46 -1.416 -6.182 -7.624 335 HA TYR 46 HA TYR 46 -2.364 -5.916 -4.820 336 HB2 TYR 46 HB2 TYR 46 -3.335 -4.317 -6.401 337 HB3 TYR 46 HB3 TYR 46 -3.799 -5.620 -7.488 338 HD1 TYR 46 HD1 TYR 46 -4.226 -4.728 -3.830 339 HD2 TYR 46 HD2 TYR 46 -6.054 -6.176 -7.456 340 HE1 TYR 46 HE1 TYR 46 -6.425 -4.813 -2.678 341 HE2 TYR 46 HE2 TYR 46 -8.304 -6.181 -6.349 342 HH TYR 46 HH TYR 46 -9.437 -5.443 -4.403 343 H ASP 47 H ASP 47 -3.376 -7.567 -3.781 344 HA ASP 47 HA ASP 47 -4.433 -9.893 -5.267 345 HB2 ASP 47 HB2 ASP 47 -2.532 -9.894 -2.901 346 HB3 ASP 47 HB3 ASP 47 -3.614 -11.249 -3.217 347 H ASP 48 H ASP 48 -6.512 -10.314 -4.690 348 HA ASP 48 HA ASP 48 -7.911 -8.418 -3.019 349 HB2 ASP 48 HB2 ASP 48 -8.651 -9.267 -5.292 350 HB3 ASP 48 HB3 ASP 48 -8.947 -10.837 -4.547 351 H ALA 49 H ALA 49 -6.287 -11.320 -2.377 352 HA ALA 49 HA ALA 49 -7.999 -12.945 -0.917 353 HB1 ALA 49 HB1 ALA 49 -5.015 -12.374 -0.613 354 HB2 ALA 49 HB2 ALA 49 -5.849 -13.719 0.195 355 HB3 ALA 49 HB3 ALA 49 -5.773 -13.664 -1.574 356 H THR 50 H THR 50 -5.778 -10.457 0.505 357 HA THR 50 HA THR 50 -7.951 -9.703 2.390 358 HB THR 50 HB THR 50 -6.249 -10.600 3.798 359 HG1 THR 50 HG1 THR 50 -5.697 -7.825 3.583 360 HG21 THR 50 HG21 THR 50 -4.260 -10.929 2.688 361 HG22 THR 50 HG22 THR 50 -4.357 -9.378 1.832 362 HG23 THR 50 HG23 THR 50 -3.855 -9.421 3.531 363 H LYS 51 H LYS 51 -7.317 -8.876 -0.383 364 HA LYS 51 HA LYS 51 -7.021 -7.007 -1.661 365 HB2 LYS 51 HB2 LYS 51 -8.214 -5.632 0.788 366 HB3 LYS 51 HB3 LYS 51 -8.169 -4.960 -0.846 367 HG2 LYS 51 HG2 LYS 51 -9.660 -6.776 -1.635 368 HG3 LYS 51 HG3 LYS 51 -9.537 -7.584 -0.064 369 HD2 LYS 51 HD2 LYS 51 -10.673 -5.695 1.025 370 HD3 LYS 51 HD3 LYS 51 -10.729 -4.814 -0.522 371 HE2 LYS 51 HE2 LYS 51 -11.986 -7.559 -0.054 372 HE3 LYS 51 HE3 LYS 51 -12.879 -6.037 0.084 373 HZ1 LYS 51 HZ1 LYS 51 -11.437 -6.807 -2.384 374 HZ2 LYS 51 HZ2 LYS 51 -13.012 -7.195 -2.129 375 HZ3 LYS 51 HZ3 LYS 51 -12.560 -5.618 -2.209 376 H THR 52 H THR 52 -4.604 -7.757 -0.733 377 HA THR 52 HA THR 52 -3.272 -5.551 0.702 378 HB THR 52 HB THR 52 -3.019 -8.010 1.363 379 HG1 THR 52 HG1 THR 52 -0.716 -7.728 1.593 380 HG21 THR 52 HG21 THR 52 -1.371 -8.075 -1.199 381 HG22 THR 52 HG22 THR 52 -1.280 -9.284 0.099 382 HG23 THR 52 HG23 THR 52 -2.788 -9.068 -0.808 383 H PHE 53 H PHE 53 -1.595 -4.360 -0.120 384 HA PHE 53 HA PHE 53 -0.854 -4.786 -2.969 385 HB2 PHE 53 HB2 PHE 53 -0.928 -2.267 -1.260 386 HB3 PHE 53 HB3 PHE 53 -0.130 -2.342 -2.825 387 HD1 PHE 53 HD1 PHE 53 -1.440 -2.220 -4.875 388 HD2 PHE 53 HD2 PHE 53 -3.400 -2.647 -1.057 389 HE1 PHE 53 HE1 PHE 53 -3.633 -1.782 -5.951 390 HE2 PHE 53 HE2 PHE 53 -5.593 -2.210 -2.140 391 HZ PHE 53 HZ PHE 53 -5.713 -1.780 -4.584 392 H THR 54 H THR 54 1.099 -5.650 -3.276 393 HA THR 54 HA THR 54 3.173 -5.497 -1.154 394 HB THR 54 HB THR 54 4.140 -7.471 -2.527 395 HG1 THR 54 HG1 THR 54 2.743 -7.191 -4.308 396 HG21 THR 54 HG21 THR 54 3.079 -7.788 -0.300 397 HG22 THR 54 HG22 THR 54 1.495 -7.913 -1.091 398 HG23 THR 54 HG23 THR 54 2.740 -9.134 -1.404 399 H VAL 55 H VAL 55 4.971 -4.414 -1.518 400 HA VAL 55 HA VAL 55 5.556 -3.382 -4.233 401 HB VAL 55 HB VAL 55 6.080 -2.251 -1.467 402 HG11 VAL 55 HG11 VAL 55 7.303 -1.200 -4.052 403 HG12 VAL 55 HG12 VAL 55 7.359 -0.415 -2.464 404 HG13 VAL 55 HG13 VAL 55 8.187 -1.960 -2.711 405 HG21 VAL 55 HG21 VAL 55 3.952 -1.574 -2.222 406 HG22 VAL 55 HG22 VAL 55 5.025 -0.201 -2.541 407 HG23 VAL 55 HG23 VAL 55 4.530 -1.254 -3.873 408 H THR 56 H THR 56 7.390 -4.032 -5.232 409 HA THR 56 HA THR 56 9.667 -5.069 -3.618 410 HB THR 56 HB THR 56 8.804 -5.886 -6.424 411 HG1 THR 56 HG1 THR 56 8.402 -7.841 -5.460 412 HG21 THR 56 HG21 THR 56 10.697 -7.692 -5.815 413 HG22 THR 56 HG22 THR 56 11.073 -6.166 -6.640 414 HG23 THR 56 HG23 THR 56 11.338 -6.319 -4.894 415 H GLU 57 H GLU 57 11.261 -3.650 -3.560 416 HA GLU 57 HA GLU 57 11.833 -1.723 -5.712 417 HB2 GLU 57 HB2 GLU 57 11.541 -1.097 -3.240 418 HB3 GLU 57 HB3 GLU 57 13.026 -1.995 -2.919 419 HG2 GLU 57 HG2 GLU 57 13.980 -0.381 -4.847 420 HG3 GLU 57 HG3 GLU 57 12.610 0.619 -4.358 Start of MODEL 6 1 H1 MET 1 H MET 1 -17.010 0.308 2.736 2 HA MET 1 HA MET 1 -17.155 -0.467 0.430 3 HB2 MET 1 HB2 MET 1 -15.986 1.271 -0.636 4 HB3 MET 1 HB3 MET 1 -14.471 0.920 0.208 5 HG2 MET 1 HG2 MET 1 -14.170 -1.106 -1.027 6 HG3 MET 1 HG3 MET 1 -15.832 -1.091 -1.615 7 HE1 MET 1 HE1 MET 1 -16.755 0.242 -3.559 8 HE2 MET 1 HE2 MET 1 -16.437 1.789 -2.742 9 HE3 MET 1 HE3 MET 1 -15.885 1.540 -4.406 10 H GLY 2 H GLY 2 -13.785 -0.646 2.061 11 HA2 GLY 2 HA2 GLY 2 -14.371 -3.256 3.021 12 HA3 GLY 2 HA3 GLY 2 -13.381 -3.282 1.547 13 H THR 3 H THR 3 -11.968 -4.226 3.388 14 HA THR 3 HA THR 3 -10.333 -2.098 4.586 15 HB THR 3 HB THR 3 -11.213 -3.306 6.382 16 HG1 THR 3 HG1 THR 3 -9.154 -3.166 6.867 17 HG21 THR 3 HG21 THR 3 -12.179 -5.256 5.319 18 HG22 THR 3 HG22 THR 3 -10.574 -5.874 4.903 19 HG23 THR 3 HG23 THR 3 -11.069 -5.779 6.598 20 H TYR 4 H TYR 4 -8.101 -2.244 4.142 21 HA TYR 4 HA TYR 4 -7.291 -4.162 2.056 22 HB2 TYR 4 HB2 TYR 4 -6.818 -1.148 2.026 23 HB3 TYR 4 HB3 TYR 4 -6.272 -2.272 0.801 24 HD1 TYR 4 HD1 TYR 4 -7.445 -2.219 -1.232 25 HD2 TYR 4 HD2 TYR 4 -9.598 -1.045 2.351 26 HE1 TYR 4 HE1 TYR 4 -9.411 -1.512 -2.582 27 HE2 TYR 4 HE2 TYR 4 -11.486 -0.422 1.023 28 HH TYR 4 HH TYR 4 -12.038 0.308 -1.169 29 H LYS 5 H LYS 5 -4.931 -4.341 1.785 30 HA LYS 5 HA LYS 5 -3.478 -3.449 4.279 31 HB2 LYS 5 HB2 LYS 5 -4.238 -5.820 4.224 32 HB3 LYS 5 HB3 LYS 5 -3.149 -6.121 2.874 33 HG2 LYS 5 HG2 LYS 5 -1.227 -5.884 4.226 34 HG3 LYS 5 HG3 LYS 5 -2.084 -4.945 5.467 35 HD2 LYS 5 HD2 LYS 5 -3.311 -6.831 6.253 36 HD3 LYS 5 HD3 LYS 5 -2.817 -7.827 4.882 37 HE2 LYS 5 HE2 LYS 5 -0.467 -7.771 5.659 38 HE3 LYS 5 HE3 LYS 5 -0.938 -6.754 7.036 39 HZ1 LYS 5 HZ1 LYS 5 -2.299 -8.527 7.843 40 HZ2 LYS 5 HZ2 LYS 5 -1.988 -9.481 6.550 41 HZ3 LYS 5 HZ3 LYS 5 -0.776 -9.104 7.614 42 H LEU 6 H LEU 6 -1.636 -2.254 3.914 43 HA LEU 6 HA LEU 6 -0.445 -2.327 1.168 44 HB2 LEU 6 HB2 LEU 6 -1.901 -0.274 2.028 45 HB3 LEU 6 HB3 LEU 6 -0.398 0.213 2.782 46 HG LEU 6 HG LEU 6 -0.697 -0.458 -0.166 47 HD11 LEU 6 HD11 LEU 6 -2.124 1.443 0.401 48 HD12 LEU 6 HD12 LEU 6 -0.729 2.288 1.097 49 HD13 LEU 6 HD13 LEU 6 -0.763 1.877 -0.635 50 HD21 LEU 6 HD21 LEU 6 1.474 1.064 1.311 51 HD22 LEU 6 HD22 LEU 6 1.635 -0.572 0.635 52 HD23 LEU 6 HD23 LEU 6 1.403 0.792 -0.441 53 H ILE 7 H ILE 7 1.459 -3.360 1.339 54 HA ILE 7 HA ILE 7 3.363 -2.694 3.520 55 HB ILE 7 HB ILE 7 2.546 -4.894 3.976 56 HG12 ILE 7 HG12 ILE 7 5.165 -5.304 2.466 57 HG13 ILE 7 HG13 ILE 7 5.045 -4.529 4.043 58 HG21 ILE 7 HG21 ILE 7 3.033 -5.690 1.079 59 HG22 ILE 7 HG22 ILE 7 2.498 -6.774 2.372 60 HG23 ILE 7 HG23 ILE 7 1.451 -5.470 1.844 61 HD11 ILE 7 HD11 ILE 7 4.025 -6.657 4.957 62 HD12 ILE 7 HD12 ILE 7 4.400 -7.429 3.393 63 HD13 ILE 7 HD13 ILE 7 5.709 -6.789 4.402 64 H LEU 8 H LEU 8 5.283 -2.171 3.089 65 HA LEU 8 HA LEU 8 6.254 -2.066 0.284 66 HB2 LEU 8 HB2 LEU 8 6.723 -0.122 2.560 67 HB3 LEU 8 HB3 LEU 8 7.434 -0.012 0.964 68 HG LEU 8 HG LEU 8 5.777 1.622 1.085 69 HD11 LEU 8 HD11 LEU 8 4.489 -0.718 -0.383 70 HD12 LEU 8 HD12 LEU 8 4.167 0.992 -0.703 71 HD13 LEU 8 HD13 LEU 8 5.764 0.314 -1.046 72 HD21 LEU 8 HD21 LEU 8 4.558 0.672 3.069 73 HD22 LEU 8 HD22 LEU 8 3.613 1.530 1.839 74 HD23 LEU 8 HD23 LEU 8 3.581 -0.238 1.915 75 H ASN 9 H ASN 9 8.146 -3.101 0.018 76 HA ASN 9 HA ASN 9 9.780 -3.784 2.446 77 HB2 ASN 9 HB2 ASN 9 9.443 -5.410 -0.100 78 HB3 ASN 9 HB3 ASN 9 10.506 -5.762 1.258 79 HD21 ASN 9 HD21 ASN 9 6.641 -6.893 1.408 80 HD22 ASN 9 HD22 ASN 9 7.262 -5.931 0.069 81 H GLY 10 H GLY 10 11.043 -1.910 2.285 82 HA2 GLY 10 HA2 GLY 10 12.363 -1.104 -0.150 83 HA3 GLY 10 HA3 GLY 10 12.553 -0.424 1.462 84 H LYS 11 H LYS 11 14.789 -0.590 0.172 85 HA LYS 11 HA LYS 11 16.314 -2.961 0.102 86 HB2 LYS 11 HB2 LYS 11 16.787 -0.715 -0.844 87 HB3 LYS 11 HB3 LYS 11 17.172 -0.109 0.761 88 HG2 LYS 11 HG2 LYS 11 19.130 -1.685 0.818 89 HG3 LYS 11 HG3 LYS 11 18.694 -2.183 -0.842 90 HD2 LYS 11 HD2 LYS 11 18.734 0.333 -1.431 91 HD3 LYS 11 HD3 LYS 11 19.529 0.586 0.131 92 HE2 LYS 11 HE2 LYS 11 21.366 -0.912 -0.572 93 HE3 LYS 11 HE3 LYS 11 20.543 -1.219 -2.110 94 HZ1 LYS 11 HZ1 LYS 11 20.770 1.103 -2.652 95 HZ2 LYS 11 HZ2 LYS 11 21.531 1.436 -1.223 96 HZ3 LYS 11 HZ3 LYS 11 22.262 0.465 -2.299 97 H THR 12 H THR 12 15.998 -0.594 2.765 98 HA THR 12 HA THR 12 16.901 -2.690 4.697 99 HB THR 12 HB THR 12 18.618 -0.896 4.120 100 HG1 THR 12 HG1 THR 12 18.327 -2.120 6.286 101 HG21 THR 12 HG21 THR 12 16.820 0.857 5.861 102 HG22 THR 12 HG22 THR 12 18.367 1.288 5.145 103 HG23 THR 12 HG23 THR 12 16.969 1.024 4.095 104 H LEU 13 H LEU 13 14.475 -0.356 3.850 105 HA LEU 13 HA LEU 13 13.375 -0.303 6.591 106 HB2 LEU 13 HB2 LEU 13 14.030 1.790 5.328 107 HB3 LEU 13 HB3 LEU 13 12.786 1.373 4.139 108 HG LEU 13 HG LEU 13 11.083 1.512 6.033 109 HD11 LEU 13 HD11 LEU 13 13.418 2.868 7.462 110 HD12 LEU 13 HD12 LEU 13 11.739 2.790 8.034 111 HD13 LEU 13 HD13 LEU 13 12.704 1.320 7.933 112 HD21 LEU 13 HD21 LEU 13 11.239 4.072 6.039 113 HD22 LEU 13 HD22 LEU 13 12.743 3.906 5.136 114 HD23 LEU 13 HD23 LEU 13 11.218 3.295 4.459 115 H LYS 14 H LYS 14 11.603 -1.325 7.047 116 HA LYS 14 HA LYS 14 9.790 -2.274 4.861 117 HB2 LYS 14 HB2 LYS 14 11.120 -3.974 6.390 118 HB3 LYS 14 HB3 LYS 14 9.843 -3.593 7.563 119 HG2 LYS 14 HG2 LYS 14 8.189 -4.106 5.588 120 HG3 LYS 14 HG3 LYS 14 9.594 -4.776 4.769 121 HD2 LYS 14 HD2 LYS 14 8.365 -5.714 7.397 122 HD3 LYS 14 HD3 LYS 14 8.279 -6.509 5.822 123 HE2 LYS 14 HE2 LYS 14 10.836 -6.668 5.886 124 HE3 LYS 14 HE3 LYS 14 10.734 -6.132 7.570 125 HZ1 LYS 14 HZ1 LYS 14 10.717 -8.431 7.710 126 HZ2 LYS 14 HZ2 LYS 14 9.081 -8.121 7.730 127 HZ3 LYS 14 HZ3 LYS 14 9.830 -8.641 6.365 128 H GLY 15 H GLY 15 7.463 -2.262 5.406 129 HA2 GLY 15 HA2 GLY 15 6.448 -0.968 7.752 130 HA3 GLY 15 HA3 GLY 15 6.421 0.080 6.315 131 H GLU 16 H GLU 16 4.244 -1.586 7.895 132 HA GLU 16 HA GLU 16 2.837 -2.470 5.497 133 HB2 GLU 16 HB2 GLU 16 2.168 -4.600 6.568 134 HB3 GLU 16 HB3 GLU 16 3.846 -4.546 6.055 135 HG2 GLU 16 HG2 GLU 16 4.682 -4.871 8.122 136 HG3 GLU 16 HG3 GLU 16 3.519 -3.816 8.909 137 H THR 17 H THR 17 0.785 -1.745 5.583 138 HA THR 17 HA THR 17 -0.392 -1.264 8.307 139 HB THR 17 HB THR 17 0.672 0.800 7.327 140 HG1 THR 17 HG1 THR 17 -0.875 2.067 7.958 141 HG21 THR 17 HG21 THR 17 0.031 0.434 4.957 142 HG22 THR 17 HG22 THR 17 -1.673 0.717 5.381 143 HG23 THR 17 HG23 THR 17 -0.487 2.012 5.556 144 H THR 18 H THR 18 -2.767 -0.818 8.128 145 HA THR 18 HA THR 18 -4.094 -1.978 5.856 146 HB THR 18 HB THR 18 -3.593 -3.943 7.270 147 HG1 THR 18 HG1 THR 18 -5.628 -3.574 6.024 148 HG21 THR 18 HG21 THR 18 -4.697 -4.309 9.404 149 HG22 THR 18 HG22 THR 18 -3.672 -2.870 9.530 150 HG23 THR 18 HG23 THR 18 -5.435 -2.700 9.358 151 H THR 19 H THR 19 -6.202 -1.105 5.637 152 HA THR 19 HA THR 19 -7.181 0.684 7.765 153 HB THR 19 HB THR 19 -7.399 2.521 5.980 154 HG1 THR 19 HG1 THR 19 -5.370 0.964 4.728 155 HG21 THR 19 HG21 THR 19 -4.507 1.927 6.685 156 HG22 THR 19 HG22 THR 19 -5.232 3.486 6.261 157 HG23 THR 19 HG23 THR 19 -5.687 2.688 7.778 158 H GLU 20 H GLU 20 -9.338 1.495 7.267 159 HA GLU 20 HA GLU 20 -10.927 -0.087 5.312 160 HB2 GLU 20 HB2 GLU 20 -11.476 -0.837 7.541 161 HB3 GLU 20 HB3 GLU 20 -11.499 0.827 8.161 162 HG2 GLU 20 HG2 GLU 20 -13.494 1.347 6.784 163 HG3 GLU 20 HG3 GLU 20 -13.454 -0.276 6.090 164 H ALA 21 H ALA 21 -12.116 1.232 3.899 165 HA ALA 21 HA ALA 21 -12.452 4.083 4.624 166 HB1 ALA 21 HB1 ALA 21 -11.706 4.710 2.284 167 HB2 ALA 21 HB2 ALA 21 -10.419 4.173 3.378 168 HB3 ALA 21 HB3 ALA 21 -11.033 3.071 2.130 169 H VAL 22 H VAL 22 -14.014 5.154 3.423 170 HA VAL 22 HA VAL 22 -16.397 3.688 3.027 171 HB VAL 22 HB VAL 22 -17.246 5.921 2.160 172 HG11 VAL 22 HG11 VAL 22 -15.906 5.748 4.886 173 HG12 VAL 22 HG12 VAL 22 -17.203 6.900 4.414 174 HG13 VAL 22 HG13 VAL 22 -17.518 5.174 4.438 175 HG21 VAL 22 HG21 VAL 22 -14.503 6.971 3.038 176 HG22 VAL 22 HG22 VAL 22 -15.108 6.932 1.361 177 HG23 VAL 22 HG23 VAL 22 -15.914 7.923 2.564 178 H ASP 23 H ASP 23 -14.121 5.102 0.581 179 HA ASP 23 HA ASP 23 -15.261 3.273 -1.443 180 HB2 ASP 23 HB2 ASP 23 -16.381 5.478 -1.677 181 HB3 ASP 23 HB3 ASP 23 -14.787 6.254 -1.797 182 H ALA 24 H ALA 24 -13.715 3.050 -3.312 183 HA ALA 24 HA ALA 24 -11.053 2.593 -2.403 184 HB1 ALA 24 HB1 ALA 24 -10.588 2.138 -4.804 185 HB2 ALA 24 HB2 ALA 24 -11.962 1.245 -4.155 186 HB3 ALA 24 HB3 ALA 24 -12.240 2.670 -5.203 187 H ALA 25 H ALA 25 -12.548 5.415 -4.049 188 HA ALA 25 HA ALA 25 -10.141 6.672 -4.863 189 HB1 ALA 25 HB1 ALA 25 -12.346 7.433 -5.574 190 HB2 ALA 25 HB2 ALA 25 -12.761 7.901 -3.914 191 HB3 ALA 25 HB3 ALA 25 -11.475 8.770 -4.786 192 H THR 26 H THR 26 -11.683 6.564 -1.633 193 HA THR 26 HA THR 26 -9.995 8.601 -0.472 194 HB THR 26 HB THR 26 -11.702 6.354 0.656 195 HG1 THR 26 HG1 THR 26 -12.206 9.115 0.807 196 HG21 THR 26 HG21 THR 26 -10.352 8.606 2.196 197 HG22 THR 26 HG22 THR 26 -11.667 7.564 2.820 198 HG23 THR 26 HG23 THR 26 -10.104 6.867 2.405 199 H ALA 27 H ALA 27 -9.699 5.096 -0.986 200 HA ALA 27 HA ALA 27 -7.362 4.783 0.689 201 HB1 ALA 27 HB1 ALA 27 -8.944 2.946 0.356 202 HB2 ALA 27 HB2 ALA 27 -8.629 2.969 -1.397 203 HB3 ALA 27 HB3 ALA 27 -7.349 2.499 -0.270 204 H GLU 28 H GLU 28 -8.014 5.434 -2.726 205 HA GLU 28 HA GLU 28 -5.489 4.914 -3.844 206 HB2 GLU 28 HB2 GLU 28 -7.749 5.323 -4.933 207 HB3 GLU 28 HB3 GLU 28 -7.518 7.047 -4.634 208 HG2 GLU 28 HG2 GLU 28 -5.451 6.970 -6.049 209 HG3 GLU 28 HG3 GLU 28 -5.775 5.247 -6.381 210 H LYS 29 H LYS 29 -6.691 7.757 -2.083 211 HA LYS 29 HA LYS 29 -4.521 9.525 -2.777 212 HB2 LYS 29 HB2 LYS 29 -6.412 9.516 -0.385 213 HB3 LYS 29 HB3 LYS 29 -5.271 10.823 -0.756 214 HG2 LYS 29 HG2 LYS 29 -6.340 11.150 -2.950 215 HG3 LYS 29 HG3 LYS 29 -7.452 9.822 -2.630 216 HD2 LYS 29 HD2 LYS 29 -8.449 11.028 -0.744 217 HD3 LYS 29 HD3 LYS 29 -7.311 12.393 -0.996 218 HE2 LYS 29 HE2 LYS 29 -8.110 12.673 -3.295 219 HE3 LYS 29 HE3 LYS 29 -9.128 11.244 -3.159 220 HZ1 LYS 29 HZ1 LYS 29 -10.466 12.416 -1.512 221 HZ2 LYS 29 HZ2 LYS 29 -9.553 13.772 -1.699 222 HZ3 LYS 29 HZ3 LYS 29 -10.426 13.140 -2.967 223 H VAL 30 H VAL 30 -5.130 7.531 0.149 224 HA VAL 30 HA VAL 30 -2.599 8.071 1.299 225 HB VAL 30 HB VAL 30 -4.483 7.399 2.663 226 HG11 VAL 30 HG11 VAL 30 -4.056 4.607 1.534 227 HG12 VAL 30 HG12 VAL 30 -5.012 4.988 2.969 228 HG13 VAL 30 HG13 VAL 30 -5.525 5.632 1.398 229 HG21 VAL 30 HG21 VAL 30 -3.263 6.112 4.261 230 HG22 VAL 30 HG22 VAL 30 -2.165 5.477 3.021 231 HG23 VAL 30 HG23 VAL 30 -2.130 7.200 3.456 232 H PHE 31 H PHE 31 -3.616 5.611 -1.097 233 HA PHE 31 HA PHE 31 -1.489 3.836 -0.839 234 HB2 PHE 31 HB2 PHE 31 -3.364 3.450 -2.342 235 HB3 PHE 31 HB3 PHE 31 -3.004 4.885 -3.258 236 HD1 PHE 31 HD1 PHE 31 -0.704 4.955 -4.609 237 HD2 PHE 31 HD2 PHE 31 -2.795 1.387 -3.326 238 HE1 PHE 31 HE1 PHE 31 0.394 3.676 -6.378 239 HE2 PHE 31 HE2 PHE 31 -1.798 0.157 -5.220 240 HZ PHE 31 HZ PHE 31 -0.199 1.278 -6.746 241 H LYS 32 H LYS 32 -1.552 6.926 -2.720 242 HA LYS 32 HA LYS 32 1.270 6.609 -3.358 243 HB2 LYS 32 HB2 LYS 32 -0.235 7.821 -4.886 244 HB3 LYS 32 HB3 LYS 32 -0.507 9.068 -3.641 245 HG2 LYS 32 HG2 LYS 32 1.964 9.579 -3.670 246 HG3 LYS 32 HG3 LYS 32 2.178 8.347 -4.939 247 HD2 LYS 32 HD2 LYS 32 0.646 9.623 -6.408 248 HD3 LYS 32 HD3 LYS 32 0.427 10.823 -5.109 249 HE2 LYS 32 HE2 LYS 32 2.742 11.459 -5.189 250 HE3 LYS 32 HE3 LYS 32 3.123 10.168 -6.344 251 HZ1 LYS 32 HZ1 LYS 32 2.772 12.416 -7.356 252 HZ2 LYS 32 HZ2 LYS 32 1.774 11.239 -7.975 253 HZ3 LYS 32 HZ3 LYS 32 1.204 12.340 -6.908 254 H GLN 33 H GLN 33 -0.574 8.751 -1.149 255 HA GLN 33 HA GLN 33 1.580 10.222 -0.171 256 HB2 GLN 33 HB2 GLN 33 -0.825 10.727 0.028 257 HB3 GLN 33 HB3 GLN 33 -1.004 9.425 1.199 258 HG2 GLN 33 HG2 GLN 33 0.428 10.602 2.779 259 HG3 GLN 33 HG3 GLN 33 0.733 11.877 1.601 260 HE21 GLN 33 HE21 GLN 33 -2.739 11.841 3.799 261 HE22 GLN 33 HE22 GLN 33 -1.671 10.495 3.857 262 H TYR 34 H TYR 34 0.222 7.225 1.440 263 HA TYR 34 HA TYR 34 2.141 7.368 3.570 264 HB2 TYR 34 HB2 TYR 34 0.174 6.164 4.027 265 HB3 TYR 34 HB3 TYR 34 0.264 5.249 2.530 266 HD1 TYR 34 HD1 TYR 34 0.703 3.012 2.754 267 HD2 TYR 34 HD2 TYR 34 2.525 5.772 5.524 268 HE1 TYR 34 HE1 TYR 34 1.978 1.139 3.805 269 HE2 TYR 34 HE2 TYR 34 3.763 3.930 6.572 270 HH TYR 34 HH TYR 34 4.372 1.686 6.394 271 H ALA 35 H ALA 35 2.034 5.342 0.578 272 HA ALA 35 HA ALA 35 4.492 4.055 1.118 273 HB1 ALA 35 HB1 ALA 35 3.268 4.640 -1.606 274 HB2 ALA 35 HB2 ALA 35 4.345 3.281 -1.164 275 HB3 ALA 35 HB3 ALA 35 2.717 3.342 -0.503 276 H ASN 36 H ASN 36 3.853 7.068 -0.793 277 HA ASN 36 HA ASN 36 6.546 7.387 -1.633 278 HB2 ASN 36 HB2 ASN 36 4.666 8.675 -2.605 279 HB3 ASN 36 HB3 ASN 36 4.453 9.536 -1.070 280 HD21 ASN 36 HD21 ASN 36 7.963 10.284 -3.187 281 HD22 ASN 36 HD22 ASN 36 7.379 8.663 -3.115 282 H ASP 37 H ASP 37 4.848 8.435 1.327 283 HA ASP 37 HA ASP 37 6.970 10.025 2.416 284 HB2 ASP 37 HB2 ASP 37 4.508 9.969 3.078 285 HB3 ASP 37 HB3 ASP 37 4.855 8.491 3.975 286 H ASN 38 H ASN 38 6.321 6.622 2.324 287 HA ASN 38 HA ASN 38 8.275 5.794 4.286 288 HB2 ASN 38 HB2 ASN 38 6.010 4.731 3.773 289 HB3 ASN 38 HB3 ASN 38 6.762 4.090 2.309 290 HD21 ASN 38 HD21 ASN 38 7.253 1.182 4.221 291 HD22 ASN 38 HD22 ASN 38 6.204 2.046 3.116 292 H GLY 39 H GLY 39 8.766 7.103 1.322 293 HA2 GLY 39 HA2 GLY 39 10.574 7.201 -0.059 294 HA3 GLY 39 HA3 GLY 39 11.436 6.171 1.061 295 H VAL 40 H VAL 40 8.495 5.268 -0.854 296 HA VAL 40 HA VAL 40 9.898 2.897 -1.734 297 HB VAL 40 HB VAL 40 7.832 2.297 -2.842 298 HG11 VAL 40 HG11 VAL 40 6.360 2.418 -0.829 299 HG12 VAL 40 HG12 VAL 40 7.981 1.716 -0.571 300 HG13 VAL 40 HG13 VAL 40 7.595 3.348 -0.002 301 HG21 VAL 40 HG21 VAL 40 6.990 4.350 -3.767 302 HG22 VAL 40 HG22 VAL 40 5.801 3.708 -2.681 303 HG23 VAL 40 HG23 VAL 40 6.818 5.078 -2.171 304 H ASP 41 H ASP 41 10.766 2.371 -3.623 305 HA ASP 41 HA ASP 41 10.248 3.939 -6.005 306 HB2 ASP 41 HB2 ASP 41 12.226 5.050 -4.919 307 HB3 ASP 41 HB3 ASP 41 13.136 3.564 -5.179 308 H GLY 42 H GLY 42 9.014 1.783 -5.985 309 HA2 GLY 42 HA2 GLY 42 10.592 -0.205 -7.472 310 HA3 GLY 42 HA3 GLY 42 9.904 -0.748 -5.936 311 H GLU 43 H GLU 43 9.032 -2.188 -7.704 312 HA GLU 43 HA GLU 43 6.755 -1.275 -9.275 313 HB2 GLU 43 HB2 GLU 43 6.666 -3.574 -10.102 314 HB3 GLU 43 HB3 GLU 43 8.252 -2.847 -10.350 315 HG2 GLU 43 HG2 GLU 43 9.276 -4.183 -8.681 316 HG3 GLU 43 HG3 GLU 43 7.739 -4.624 -7.936 317 H TRP 44 H TRP 44 4.626 -2.098 -9.003 318 HA TRP 44 HA TRP 44 3.992 -2.955 -6.230 319 HB2 TRP 44 HB2 TRP 44 2.438 -1.361 -8.300 320 HB3 TRP 44 HB3 TRP 44 1.787 -1.900 -6.754 321 HD1 TRP 44 HD1 TRP 44 5.003 0.109 -7.769 322 HE1 TRP 44 HE1 TRP 44 5.496 1.742 -5.935 323 HE3 TRP 44 HE3 TRP 44 1.003 -0.802 -4.698 324 HZ2 TRP 44 HZ2 TRP 44 3.862 3.198 -3.918 325 HZ3 TRP 44 HZ3 TRP 44 0.487 0.742 -2.846 326 HH2 TRP 44 HH2 TRP 44 1.839 2.778 -2.503 327 H THR 45 H THR 45 2.372 -4.562 -5.904 328 HA THR 45 HA THR 45 1.251 -6.023 -8.183 329 HB THR 45 HB THR 45 1.768 -8.145 -6.814 330 HG1 THR 45 HG1 THR 45 4.028 -6.671 -6.003 331 HG21 THR 45 HG21 THR 45 2.724 -7.741 -9.030 332 HG22 THR 45 HG22 THR 45 4.059 -6.827 -8.290 333 HG23 THR 45 HG23 THR 45 3.877 -8.558 -7.962 334 H TYR 46 H TYR 46 -0.696 -7.325 -7.396 335 HA TYR 46 HA TYR 46 -1.756 -6.253 -4.839 336 HB2 TYR 46 HB2 TYR 46 -2.606 -4.897 -6.673 337 HB3 TYR 46 HB3 TYR 46 -3.121 -6.340 -7.546 338 HD1 TYR 46 HD1 TYR 46 -3.549 -4.790 -4.128 339 HD2 TYR 46 HD2 TYR 46 -5.404 -6.914 -7.399 340 HE1 TYR 46 HE1 TYR 46 -5.697 -4.795 -2.910 341 HE2 TYR 46 HE2 TYR 46 -7.586 -6.792 -6.232 342 HH TYR 46 HH TYR 46 -8.657 -6.249 -4.149 343 H ASP 47 H ASP 47 -3.228 -7.509 -3.752 344 HA ASP 47 HA ASP 47 -3.790 -10.258 -4.671 345 HB2 ASP 47 HB2 ASP 47 -1.897 -9.651 -2.712 346 HB3 ASP 47 HB3 ASP 47 -3.287 -10.057 -1.756 347 H ASP 48 H ASP 48 -6.057 -9.916 -5.029 348 HA ASP 48 HA ASP 48 -7.539 -8.103 -3.443 349 HB2 ASP 48 HB2 ASP 48 -8.135 -8.978 -5.775 350 HB3 ASP 48 HB3 ASP 48 -8.813 -10.376 -4.944 351 H ALA 49 H ALA 49 -6.538 -11.210 -2.463 352 HA ALA 49 HA ALA 49 -8.691 -12.163 -1.001 353 HB1 ALA 49 HB1 ALA 49 -7.055 -13.348 0.386 354 HB2 ALA 49 HB2 ALA 49 -6.565 -13.386 -1.309 355 HB3 ALA 49 HB3 ALA 49 -5.757 -12.278 -0.186 356 H THR 50 H THR 50 -6.174 -9.910 0.247 357 HA THR 50 HA THR 50 -8.185 -8.869 2.156 358 HB THR 50 HB THR 50 -6.557 -10.530 3.149 359 HG1 THR 50 HG1 THR 50 -7.163 -8.039 4.282 360 HG21 THR 50 HG21 THR 50 -4.461 -9.787 2.286 361 HG22 THR 50 HG22 THR 50 -4.640 -8.190 3.053 362 HG23 THR 50 HG23 THR 50 -4.464 -9.653 4.048 363 H LYS 51 H LYS 51 -6.855 -8.112 -0.633 364 HA LYS 51 HA LYS 51 -6.408 -6.553 -1.804 365 HB2 LYS 51 HB2 LYS 51 -7.539 -4.607 0.183 366 HB3 LYS 51 HB3 LYS 51 -7.460 -4.474 -1.552 367 HG2 LYS 51 HG2 LYS 51 -8.986 -6.519 -1.676 368 HG3 LYS 51 HG3 LYS 51 -9.159 -6.421 0.078 369 HD2 LYS 51 HD2 LYS 51 -10.141 -4.203 -0.070 370 HD3 LYS 51 HD3 LYS 51 -9.939 -4.178 -1.837 371 HE2 LYS 51 HE2 LYS 51 -11.449 -6.411 -0.407 372 HE3 LYS 51 HE3 LYS 51 -12.247 -4.887 -0.860 373 HZ1 LYS 51 HZ1 LYS 51 -12.456 -6.653 -2.531 374 HZ2 LYS 51 HZ2 LYS 51 -11.831 -5.258 -3.097 375 HZ3 LYS 51 HZ3 LYS 51 -10.848 -6.565 -2.864 376 H THR 52 H THR 52 -4.388 -7.667 -0.780 377 HA THR 52 HA THR 52 -2.626 -5.933 0.698 378 HB THR 52 HB THR 52 -1.773 -8.330 -0.935 379 HG1 THR 52 HG1 THR 52 -2.186 -9.639 0.651 380 HG21 THR 52 HG21 THR 52 0.053 -6.973 -0.032 381 HG22 THR 52 HG22 THR 52 -0.672 -7.009 1.590 382 HG23 THR 52 HG23 THR 52 -0.017 -8.483 0.850 383 H PHE 53 H PHE 53 -1.114 -4.587 -0.209 384 HA PHE 53 HA PHE 53 -0.663 -4.567 -3.155 385 HB2 PHE 53 HB2 PHE 53 -0.779 -2.296 -1.153 386 HB3 PHE 53 HB3 PHE 53 -0.142 -2.131 -2.777 387 HD1 PHE 53 HD1 PHE 53 -1.672 -2.423 -4.780 388 HD2 PHE 53 HD2 PHE 53 -3.158 -2.200 -0.729 389 HE1 PHE 53 HE1 PHE 53 -3.905 -1.768 -5.627 390 HE2 PHE 53 HE2 PHE 53 -5.371 -1.517 -1.587 391 HZ PHE 53 HZ PHE 53 -5.761 -1.301 -4.035 392 H THR 54 H THR 54 1.455 -5.243 -3.447 393 HA THR 54 HA THR 54 3.311 -4.949 -1.122 394 HB THR 54 HB THR 54 3.457 -7.148 -3.194 395 HG1 THR 54 HG1 THR 54 2.824 -8.455 -1.350 396 HG21 THR 54 HG21 THR 54 4.761 -6.775 -0.456 397 HG22 THR 54 HG22 THR 54 5.012 -8.154 -1.561 398 HG23 THR 54 HG23 THR 54 5.578 -6.585 -2.024 399 H VAL 55 H VAL 55 5.271 -4.120 -1.515 400 HA VAL 55 HA VAL 55 6.121 -3.500 -4.274 401 HB VAL 55 HB VAL 55 5.909 -1.684 -1.894 402 HG11 VAL 55 HG11 VAL 55 7.790 -1.233 -4.245 403 HG12 VAL 55 HG12 VAL 55 7.320 0.011 -3.067 404 HG13 VAL 55 HG13 VAL 55 8.246 -1.387 -2.529 405 HG21 VAL 55 HG21 VAL 55 4.138 -1.700 -3.729 406 HG22 VAL 55 HG22 VAL 55 4.917 -0.136 -3.458 407 HG23 VAL 55 HG23 VAL 55 5.409 -1.158 -4.835 408 H THR 56 H THR 56 8.219 -3.990 -4.610 409 HA THR 56 HA THR 56 9.953 -4.707 -2.351 410 HB THR 56 HB THR 56 10.777 -6.475 -4.191 411 HG1 THR 56 HG1 THR 56 9.321 -6.377 -5.752 412 HG21 THR 56 HG21 THR 56 10.096 -7.047 -1.893 413 HG22 THR 56 HG22 THR 56 8.380 -6.887 -2.336 414 HG23 THR 56 HG23 THR 56 9.373 -8.177 -3.048 415 H GLU 57 H GLU 57 11.560 -3.268 -2.398 416 HA GLU 57 HA GLU 57 11.939 -1.435 -4.646 417 HB2 GLU 57 HB2 GLU 57 12.283 -0.897 -2.183 418 HB3 GLU 57 HB3 GLU 57 13.716 -1.928 -2.199 419 HG2 GLU 57 HG2 GLU 57 14.566 -0.418 -4.105 420 HG3 GLU 57 HG3 GLU 57 13.221 0.661 -3.734 Start of MODEL 7 1 H1 MET 1 H MET 1 -17.472 0.036 2.407 2 HA MET 1 HA MET 1 -17.188 -0.754 0.177 3 HB2 MET 1 HB2 MET 1 -16.015 1.128 -0.730 4 HB3 MET 1 HB3 MET 1 -14.588 0.784 0.261 5 HG2 MET 1 HG2 MET 1 -14.281 -1.372 -0.904 6 HG3 MET 1 HG3 MET 1 -15.750 -1.097 -1.848 7 HE1 MET 1 HE1 MET 1 -15.657 1.780 -2.999 8 HE2 MET 1 HE2 MET 1 -14.713 1.487 -4.478 9 HE3 MET 1 HE3 MET 1 -15.913 0.293 -3.939 10 H GLY 2 H GLY 2 -13.888 -0.727 1.929 11 HA2 GLY 2 HA2 GLY 2 -14.376 -3.297 3.044 12 HA3 GLY 2 HA3 GLY 2 -13.482 -3.407 1.520 13 H THR 3 H THR 3 -11.970 -4.334 3.263 14 HA THR 3 HA THR 3 -10.352 -2.220 4.515 15 HB THR 3 HB THR 3 -11.128 -4.107 5.915 16 HG1 THR 3 HG1 THR 3 -9.037 -2.950 6.155 17 HG21 THR 3 HG21 THR 3 -10.960 -5.949 4.196 18 HG22 THR 3 HG22 THR 3 -9.193 -5.864 4.336 19 HG23 THR 3 HG23 THR 3 -10.181 -6.327 5.735 20 H TYR 4 H TYR 4 -8.123 -1.980 3.966 21 HA TYR 4 HA TYR 4 -7.160 -3.484 1.584 22 HB2 TYR 4 HB2 TYR 4 -7.390 -0.505 2.014 23 HB3 TYR 4 HB3 TYR 4 -6.087 -1.182 1.057 24 HD1 TYR 4 HD1 TYR 4 -6.429 -2.337 -1.018 25 HD2 TYR 4 HD2 TYR 4 -9.785 -0.589 1.080 26 HE1 TYR 4 HE1 TYR 4 -7.830 -2.595 -3.045 27 HE2 TYR 4 HE2 TYR 4 -11.158 -0.786 -0.984 28 HH TYR 4 HH TYR 4 -11.240 -2.261 -3.053 29 H LYS 5 H LYS 5 -5.153 -4.407 1.900 30 HA LYS 5 HA LYS 5 -3.680 -3.360 4.302 31 HB2 LYS 5 HB2 LYS 5 -4.341 -5.806 4.173 32 HB3 LYS 5 HB3 LYS 5 -3.147 -5.980 2.883 33 HG2 LYS 5 HG2 LYS 5 -1.417 -5.004 4.452 34 HG3 LYS 5 HG3 LYS 5 -2.664 -4.973 5.712 35 HD2 LYS 5 HD2 LYS 5 -2.840 -7.459 5.576 36 HD3 LYS 5 HD3 LYS 5 -1.532 -7.455 4.357 37 HE2 LYS 5 HE2 LYS 5 -0.140 -6.108 6.018 38 HE3 LYS 5 HE3 LYS 5 -1.400 -6.386 7.222 39 HZ1 LYS 5 HZ1 LYS 5 0.480 -7.876 7.363 40 HZ2 LYS 5 HZ2 LYS 5 -0.903 -8.749 7.087 41 HZ3 LYS 5 HZ3 LYS 5 0.214 -8.464 5.880 42 H LEU 6 H LEU 6 -1.762 -2.251 4.050 43 HA LEU 6 HA LEU 6 -0.538 -2.235 1.325 44 HB2 LEU 6 HB2 LEU 6 -1.983 -0.190 2.252 45 HB3 LEU 6 HB3 LEU 6 -0.438 0.289 2.944 46 HG LEU 6 HG LEU 6 -0.799 -0.495 0.013 47 HD11 LEU 6 HD11 LEU 6 -2.352 1.297 0.404 48 HD12 LEU 6 HD12 LEU 6 -1.102 2.264 1.219 49 HD13 LEU 6 HD13 LEU 6 -0.966 1.886 -0.518 50 HD21 LEU 6 HD21 LEU 6 1.289 1.250 1.360 51 HD22 LEU 6 HD22 LEU 6 1.533 -0.435 0.834 52 HD23 LEU 6 HD23 LEU 6 1.224 0.823 -0.355 53 H ILE 7 H ILE 7 1.307 -3.292 1.443 54 HA ILE 7 HA ILE 7 3.221 -2.818 3.656 55 HB ILE 7 HB ILE 7 2.335 -4.986 3.934 56 HG12 ILE 7 HG12 ILE 7 4.930 -5.484 2.415 57 HG13 ILE 7 HG13 ILE 7 4.859 -4.697 3.993 58 HG21 ILE 7 HG21 ILE 7 1.242 -5.394 1.793 59 HG22 ILE 7 HG22 ILE 7 2.819 -5.599 1.007 60 HG23 ILE 7 HG23 ILE 7 2.254 -6.760 2.215 61 HD11 ILE 7 HD11 ILE 7 3.677 -6.714 4.911 62 HD12 ILE 7 HD12 ILE 7 3.979 -7.536 3.369 63 HD13 ILE 7 HD13 ILE 7 5.333 -7.018 4.368 64 H LEU 8 H LEU 8 5.182 -2.256 3.265 65 HA LEU 8 HA LEU 8 6.148 -1.971 0.475 66 HB2 LEU 8 HB2 LEU 8 6.575 -0.097 2.834 67 HB3 LEU 8 HB3 LEU 8 7.387 0.006 1.299 68 HG LEU 8 HG LEU 8 5.792 1.709 1.296 69 HD11 LEU 8 HD11 LEU 8 4.495 -0.506 -0.336 70 HD12 LEU 8 HD12 LEU 8 4.297 1.234 -0.576 71 HD13 LEU 8 HD13 LEU 8 5.870 0.490 -0.865 72 HD21 LEU 8 HD21 LEU 8 4.386 0.811 3.147 73 HD22 LEU 8 HD22 LEU 8 3.513 1.590 1.819 74 HD23 LEU 8 HD23 LEU 8 3.529 -0.180 1.953 75 H ASN 9 H ASN 9 8.294 -2.490 0.098 76 HA ASN 9 HA ASN 9 9.947 -3.527 2.356 77 HB2 ASN 9 HB2 ASN 9 9.858 -4.418 -0.572 78 HB3 ASN 9 HB3 ASN 9 11.156 -4.784 0.537 79 HD21 ASN 9 HD21 ASN 9 7.657 -6.880 0.844 80 HD22 ASN 9 HD22 ASN 9 7.777 -5.448 -0.211 81 H GLY 10 H GLY 10 11.600 -1.995 2.597 82 HA2 GLY 10 HA2 GLY 10 12.105 -0.028 0.428 83 HA3 GLY 10 HA3 GLY 10 12.537 0.114 2.145 84 H LYS 11 H LYS 11 14.792 0.588 1.274 85 HA LYS 11 HA LYS 11 16.192 -1.557 -0.151 86 HB2 LYS 11 HB2 LYS 11 17.151 0.638 -0.312 87 HB3 LYS 11 HB3 LYS 11 17.097 0.893 1.437 88 HG2 LYS 11 HG2 LYS 11 18.838 -0.798 1.787 89 HG3 LYS 11 HG3 LYS 11 18.898 -1.136 0.050 90 HD2 LYS 11 HD2 LYS 11 19.813 1.082 -0.372 91 HD3 LYS 11 HD3 LYS 11 19.530 1.569 1.322 92 HE2 LYS 11 HE2 LYS 11 21.092 -0.128 2.133 93 HE3 LYS 11 HE3 LYS 11 21.267 -0.790 0.506 94 HZ1 LYS 11 HZ1 LYS 11 23.127 0.547 1.054 95 HZ2 LYS 11 HZ2 LYS 11 22.319 1.224 -0.187 96 HZ3 LYS 11 HZ3 LYS 11 22.200 1.891 1.325 97 H THR 12 H THR 12 16.188 -0.474 3.294 98 HA THR 12 HA THR 12 16.834 -3.259 4.064 99 HB THR 12 HB THR 12 18.815 -1.844 4.126 100 HG1 THR 12 HG1 THR 12 17.831 -2.937 6.525 101 HG21 THR 12 HG21 THR 12 19.151 -0.204 5.913 102 HG22 THR 12 HG22 THR 12 17.956 0.336 4.732 103 HG23 THR 12 HG23 THR 12 17.421 -0.267 6.313 104 H LEU 13 H LEU 13 14.809 -0.469 4.621 105 HA LEU 13 HA LEU 13 13.734 -1.623 7.107 106 HB2 LEU 13 HB2 LEU 13 14.407 0.714 7.053 107 HB3 LEU 13 HB3 LEU 13 13.327 1.012 5.682 108 HG LEU 13 HG LEU 13 11.358 0.583 7.099 109 HD11 LEU 13 HD11 LEU 13 12.261 -0.987 8.748 110 HD12 LEU 13 HD12 LEU 13 13.394 0.244 9.355 111 HD13 LEU 13 HD13 LEU 13 11.640 0.439 9.574 112 HD21 LEU 13 HD21 LEU 13 11.512 2.630 8.391 113 HD22 LEU 13 HD22 LEU 13 13.292 2.567 8.378 114 HD23 LEU 13 HD23 LEU 13 12.391 2.856 6.878 115 H LYS 14 H LYS 14 11.889 -2.648 7.190 116 HA LYS 14 HA LYS 14 9.989 -2.677 4.877 117 HB2 LYS 14 HB2 LYS 14 10.689 -4.714 7.049 118 HB3 LYS 14 HB3 LYS 14 9.325 -4.895 5.949 119 HG2 LYS 14 HG2 LYS 14 10.910 -4.632 4.006 120 HG3 LYS 14 HG3 LYS 14 12.258 -4.634 5.158 121 HD2 LYS 14 HD2 LYS 14 11.623 -6.918 5.875 122 HD3 LYS 14 HD3 LYS 14 10.290 -6.907 4.682 123 HE2 LYS 14 HE2 LYS 14 11.948 -6.399 2.886 124 HE3 LYS 14 HE3 LYS 14 13.252 -6.519 4.062 125 HZ1 LYS 14 HZ1 LYS 14 11.421 -8.746 3.403 126 HZ2 LYS 14 HZ2 LYS 14 12.829 -8.492 2.668 127 HZ3 LYS 14 HZ3 LYS 14 12.835 -8.805 4.308 128 H GLY 15 H GLY 15 7.761 -2.377 5.235 129 HA2 GLY 15 HA2 GLY 15 6.765 -1.941 7.962 130 HA3 GLY 15 HA3 GLY 15 6.783 -0.559 6.877 131 H GLU 16 H GLU 16 4.414 -1.862 8.050 132 HA GLU 16 HA GLU 16 2.913 -2.233 5.590 133 HB2 GLU 16 HB2 GLU 16 1.987 -4.398 6.124 134 HB3 GLU 16 HB3 GLU 16 3.744 -4.512 6.002 135 HG2 GLU 16 HG2 GLU 16 3.887 -4.513 8.503 136 HG3 GLU 16 HG3 GLU 16 2.119 -4.481 8.575 137 H THR 17 H THR 17 0.660 -2.002 5.801 138 HA THR 17 HA THR 17 -0.409 -1.522 8.512 139 HB THR 17 HB THR 17 0.634 0.611 7.865 140 HG1 THR 17 HG1 THR 17 -0.971 1.749 8.611 141 HG21 THR 17 HG21 THR 17 -0.342 1.990 6.069 142 HG22 THR 17 HG22 THR 17 0.383 0.514 5.427 143 HG23 THR 17 HG23 THR 17 -1.373 0.631 5.556 144 H THR 18 H THR 18 -2.794 -0.907 8.304 145 HA THR 18 HA THR 18 -4.199 -2.143 6.061 146 HB THR 18 HB THR 18 -3.595 -3.912 7.779 147 HG1 THR 18 HG1 THR 18 -5.529 -4.874 7.661 148 HG21 THR 18 HG21 THR 18 -3.921 -2.645 9.845 149 HG22 THR 18 HG22 THR 18 -5.662 -2.480 9.505 150 HG23 THR 18 HG23 THR 18 -4.957 -4.071 9.817 151 H THR 19 H THR 19 -6.577 -1.520 6.218 152 HA THR 19 HA THR 19 -7.434 0.468 8.109 153 HB THR 19 HB THR 19 -5.907 1.895 6.812 154 HG1 THR 19 HG1 THR 19 -7.845 2.848 7.415 155 HG21 THR 19 HG21 THR 19 -7.479 1.141 4.309 156 HG22 THR 19 HG22 THR 19 -6.137 2.295 4.439 157 HG23 THR 19 HG23 THR 19 -5.834 0.587 4.689 158 H GLU 20 H GLU 20 -9.658 1.320 7.343 159 HA GLU 20 HA GLU 20 -11.043 -0.511 5.490 160 HB2 GLU 20 HB2 GLU 20 -11.516 -1.275 7.807 161 HB3 GLU 20 HB3 GLU 20 -12.047 0.368 8.233 162 HG2 GLU 20 HG2 GLU 20 -13.814 0.227 6.469 163 HG3 GLU 20 HG3 GLU 20 -13.249 -1.385 6.030 164 H ALA 21 H ALA 21 -11.953 0.761 3.923 165 HA ALA 21 HA ALA 21 -12.380 3.647 4.585 166 HB1 ALA 21 HB1 ALA 21 -10.420 3.404 3.183 167 HB2 ALA 21 HB2 ALA 21 -11.331 2.433 2.015 168 HB3 ALA 21 HB3 ALA 21 -11.737 4.149 2.264 169 H VAL 22 H VAL 22 -14.088 4.692 3.723 170 HA VAL 22 HA VAL 22 -16.462 3.091 3.359 171 HB VAL 22 HB VAL 22 -17.545 5.312 2.971 172 HG11 VAL 22 HG11 VAL 22 -15.871 5.008 5.504 173 HG12 VAL 22 HG12 VAL 22 -17.320 6.018 5.318 174 HG13 VAL 22 HG13 VAL 22 -17.461 4.272 5.172 175 HG21 VAL 22 HG21 VAL 22 -16.384 7.375 3.550 176 HG22 VAL 22 HG22 VAL 22 -14.833 6.530 3.659 177 HG23 VAL 22 HG23 VAL 22 -15.689 6.669 2.102 178 H ASP 23 H ASP 23 -14.343 4.971 1.241 179 HA ASP 23 HA ASP 23 -15.522 3.714 -1.201 180 HB2 ASP 23 HB2 ASP 23 -16.412 6.036 -0.676 181 HB3 ASP 23 HB3 ASP 23 -14.761 6.638 -0.744 182 H ALA 24 H ALA 24 -13.897 3.768 -3.030 183 HA ALA 24 HA ALA 24 -11.201 3.298 -2.060 184 HB1 ALA 24 HB1 ALA 24 -12.037 1.809 -3.723 185 HB2 ALA 24 HB2 ALA 24 -12.359 3.160 -4.854 186 HB3 ALA 24 HB3 ALA 24 -10.700 2.729 -4.373 187 H ALA 25 H ALA 25 -12.757 6.199 -3.358 188 HA ALA 25 HA ALA 25 -10.602 7.372 -4.679 189 HB1 ALA 25 HB1 ALA 25 -12.658 8.711 -2.859 190 HB2 ALA 25 HB2 ALA 25 -11.629 9.537 -4.049 191 HB3 ALA 25 HB3 ALA 25 -12.834 8.367 -4.595 192 H THR 26 H THR 26 -11.273 7.629 -1.138 193 HA THR 26 HA THR 26 -8.955 9.095 -0.531 194 HB THR 26 HB THR 26 -10.150 7.145 1.437 195 HG1 THR 26 HG1 THR 26 -12.011 7.916 1.302 196 HG21 THR 26 HG21 THR 26 -10.045 9.119 2.939 197 HG22 THR 26 HG22 THR 26 -8.461 8.735 2.249 198 HG23 THR 26 HG23 THR 26 -9.401 10.103 1.607 199 H ALA 27 H ALA 27 -9.404 5.658 -1.122 200 HA ALA 27 HA ALA 27 -6.954 4.772 0.099 201 HB1 ALA 27 HB1 ALA 27 -7.519 2.617 -0.775 202 HB2 ALA 27 HB2 ALA 27 -9.020 3.345 -0.192 203 HB3 ALA 27 HB3 ALA 27 -8.661 3.289 -1.941 204 H GLU 28 H GLU 28 -8.057 5.676 -3.211 205 HA GLU 28 HA GLU 28 -5.685 4.926 -4.605 206 HB2 GLU 28 HB2 GLU 28 -8.002 5.495 -5.563 207 HB3 GLU 28 HB3 GLU 28 -7.581 7.200 -5.324 208 HG2 GLU 28 HG2 GLU 28 -5.539 6.813 -6.779 209 HG3 GLU 28 HG3 GLU 28 -6.086 5.164 -7.042 210 H LYS 29 H LYS 29 -6.637 7.728 -2.748 211 HA LYS 29 HA LYS 29 -4.429 9.462 -3.439 212 HB2 LYS 29 HB2 LYS 29 -6.673 10.175 -2.591 213 HB3 LYS 29 HB3 LYS 29 -6.294 9.492 -1.018 214 HG2 LYS 29 HG2 LYS 29 -4.466 11.059 -0.686 215 HG3 LYS 29 HG3 LYS 29 -4.628 11.657 -2.346 216 HD2 LYS 29 HD2 LYS 29 -6.941 12.436 -1.843 217 HD3 LYS 29 HD3 LYS 29 -6.751 11.851 -0.169 218 HE2 LYS 29 HE2 LYS 29 -4.662 13.351 -0.080 219 HE3 LYS 29 HE3 LYS 29 -5.246 14.092 -1.582 220 HZ1 LYS 29 HZ1 LYS 29 -7.301 14.637 -0.352 221 HZ2 LYS 29 HZ2 LYS 29 -6.660 13.973 1.009 222 HZ3 LYS 29 HZ3 LYS 29 -5.951 15.310 0.339 223 H VAL 30 H VAL 30 -5.175 7.421 -0.554 224 HA VAL 30 HA VAL 30 -2.737 7.946 0.725 225 HB VAL 30 HB VAL 30 -4.927 6.948 1.711 226 HG11 VAL 30 HG11 VAL 30 -3.341 4.366 1.347 227 HG12 VAL 30 HG12 VAL 30 -4.817 4.603 2.294 228 HG13 VAL 30 HG13 VAL 30 -4.864 4.746 0.533 229 HG21 VAL 30 HG21 VAL 30 -3.645 6.236 3.679 230 HG22 VAL 30 HG22 VAL 30 -2.163 6.132 2.708 231 HG23 VAL 30 HG23 VAL 30 -2.960 7.704 2.977 232 H PHE 31 H PHE 31 -3.523 5.554 -1.773 233 HA PHE 31 HA PHE 31 -1.408 3.760 -1.520 234 HB2 PHE 31 HB2 PHE 31 -3.262 3.589 -3.126 235 HB3 PHE 31 HB3 PHE 31 -2.677 4.977 -4.006 236 HD1 PHE 31 HD1 PHE 31 -0.069 4.669 -4.955 237 HD2 PHE 31 HD2 PHE 31 -2.940 1.526 -4.157 238 HE1 PHE 31 HE1 PHE 31 1.067 3.204 -6.566 239 HE2 PHE 31 HE2 PHE 31 -1.867 0.136 -5.866 240 HZ PHE 31 HZ PHE 31 0.150 0.964 -7.088 241 H LYS 32 H LYS 32 -1.408 6.997 -3.166 242 HA LYS 32 HA LYS 32 1.438 6.717 -3.796 243 HB2 LYS 32 HB2 LYS 32 -0.096 7.970 -5.245 244 HB3 LYS 32 HB3 LYS 32 -0.442 9.117 -3.939 245 HG2 LYS 32 HG2 LYS 32 1.893 9.874 -3.918 246 HG3 LYS 32 HG3 LYS 32 2.338 8.609 -5.086 247 HD2 LYS 32 HD2 LYS 32 0.821 9.599 -6.734 248 HD3 LYS 32 HD3 LYS 32 0.401 10.899 -5.594 249 HE2 LYS 32 HE2 LYS 32 2.609 11.807 -5.664 250 HE3 LYS 32 HE3 LYS 32 3.258 10.348 -6.432 251 HZ1 LYS 32 HZ1 LYS 32 2.193 10.826 -8.409 252 HZ2 LYS 32 HZ2 LYS 32 1.292 12.069 -7.764 253 HZ3 LYS 32 HZ3 LYS 32 2.915 12.233 -7.959 254 H GLN 33 H GLN 33 -0.450 8.744 -1.535 255 HA GLN 33 HA GLN 33 1.612 10.197 -0.419 256 HB2 GLN 33 HB2 GLN 33 -0.778 10.619 -0.173 257 HB3 GLN 33 HB3 GLN 33 -0.977 9.143 0.765 258 HG2 GLN 33 HG2 GLN 33 0.450 10.134 2.587 259 HG3 GLN 33 HG3 GLN 33 0.483 11.641 1.655 260 HE21 GLN 33 HE21 GLN 33 -2.703 10.871 4.005 261 HE22 GLN 33 HE22 GLN 33 -1.319 9.813 4.011 262 H TYR 34 H TYR 34 0.318 7.141 1.170 263 HA TYR 34 HA TYR 34 2.273 7.428 3.263 264 HB2 TYR 34 HB2 TYR 34 0.390 6.338 3.899 265 HB3 TYR 34 HB3 TYR 34 0.264 5.358 2.458 266 HD1 TYR 34 HD1 TYR 34 0.823 3.135 2.543 267 HD2 TYR 34 HD2 TYR 34 2.556 5.801 5.440 268 HE1 TYR 34 HE1 TYR 34 1.830 1.196 3.710 269 HE2 TYR 34 HE2 TYR 34 3.580 3.895 6.618 270 HH TYR 34 HH TYR 34 3.043 0.502 5.537 271 H ALA 35 H ALA 35 2.205 5.365 0.356 272 HA ALA 35 HA ALA 35 4.606 3.981 0.852 273 HB1 ALA 35 HB1 ALA 35 3.254 4.792 -1.759 274 HB2 ALA 35 HB2 ALA 35 4.479 3.534 -1.588 275 HB3 ALA 35 HB3 ALA 35 2.927 3.334 -0.767 276 H ASN 36 H ASN 36 4.083 7.132 -0.916 277 HA ASN 36 HA ASN 36 6.916 7.373 -1.433 278 HB2 ASN 36 HB2 ASN 36 5.378 8.295 -2.838 279 HB3 ASN 36 HB3 ASN 36 4.607 9.287 -1.564 280 HD21 ASN 36 HD21 ASN 36 8.357 10.483 -2.930 281 HD22 ASN 36 HD22 ASN 36 8.008 8.790 -2.829 282 H ASP 37 H ASP 37 4.857 8.304 1.336 283 HA ASP 37 HA ASP 37 6.823 10.019 2.578 284 HB2 ASP 37 HB2 ASP 37 4.362 9.994 3.078 285 HB3 ASP 37 HB3 ASP 37 4.559 8.416 3.849 286 H ASN 38 H ASN 38 6.472 6.652 2.140 287 HA ASN 38 HA ASN 38 8.282 5.716 4.259 288 HB2 ASN 38 HB2 ASN 38 6.076 4.663 3.579 289 HB3 ASN 38 HB3 ASN 38 6.822 4.175 2.069 290 HD21 ASN 38 HD21 ASN 38 6.654 1.405 4.622 291 HD22 ASN 38 HD22 ASN 38 5.536 2.661 4.162 292 H GLY 39 H GLY 39 8.571 7.154 1.219 293 HA2 GLY 39 HA2 GLY 39 10.268 7.557 -0.193 294 HA3 GLY 39 HA3 GLY 39 11.354 6.811 0.972 295 H VAL 40 H VAL 40 8.666 5.201 -0.807 296 HA VAL 40 HA VAL 40 10.583 3.179 -1.729 297 HB VAL 40 HB VAL 40 8.705 1.825 -2.142 298 HG11 VAL 40 HG11 VAL 40 9.286 2.330 0.281 299 HG12 VAL 40 HG12 VAL 40 7.923 3.471 0.278 300 HG13 VAL 40 HG13 VAL 40 7.640 1.757 -0.017 301 HG21 VAL 40 HG21 VAL 40 6.970 4.338 -1.924 302 HG22 VAL 40 HG22 VAL 40 7.145 3.275 -3.311 303 HG23 VAL 40 HG23 VAL 40 6.359 2.647 -1.879 304 H ASP 41 H ASP 41 11.140 2.644 -3.803 305 HA ASP 41 HA ASP 41 9.715 3.961 -6.020 306 HB2 ASP 41 HB2 ASP 41 11.822 5.299 -5.238 307 HB3 ASP 41 HB3 ASP 41 12.708 4.046 -6.113 308 H GLY 42 H GLY 42 8.896 1.752 -5.741 309 HA2 GLY 42 HA2 GLY 42 10.433 -0.159 -7.441 310 HA3 GLY 42 HA3 GLY 42 9.727 -0.696 -5.918 311 H GLU 43 H GLU 43 8.865 -2.139 -7.610 312 HA GLU 43 HA GLU 43 6.558 -1.274 -9.191 313 HB2 GLU 43 HB2 GLU 43 6.556 -3.515 -10.108 314 HB3 GLU 43 HB3 GLU 43 8.141 -2.767 -10.288 315 HG2 GLU 43 HG2 GLU 43 9.115 -4.175 -8.598 316 HG3 GLU 43 HG3 GLU 43 7.532 -4.683 -7.995 317 H TRP 44 H TRP 44 4.458 -2.180 -8.927 318 HA TRP 44 HA TRP 44 3.885 -3.111 -6.166 319 HB2 TRP 44 HB2 TRP 44 2.225 -1.606 -8.210 320 HB3 TRP 44 HB3 TRP 44 1.622 -2.189 -6.663 321 HD1 TRP 44 HD1 TRP 44 4.718 -0.012 -7.682 322 HE1 TRP 44 HE1 TRP 44 5.136 1.633 -5.876 323 HE3 TRP 44 HE3 TRP 44 0.767 -1.119 -4.607 324 HZ2 TRP 44 HZ2 TRP 44 3.536 2.924 -3.754 325 HZ3 TRP 44 HZ3 TRP 44 0.239 0.357 -2.695 326 HH2 TRP 44 HH2 TRP 44 1.583 2.392 -2.279 327 H THR 45 H THR 45 2.350 -4.750 -5.792 328 HA THR 45 HA THR 45 1.237 -6.318 -8.022 329 HB THR 45 HB THR 45 1.776 -8.353 -6.504 330 HG1 THR 45 HG1 THR 45 4.029 -6.798 -5.812 331 HG21 THR 45 HG21 THR 45 2.737 -8.068 -8.751 332 HG22 THR 45 HG22 THR 45 4.044 -7.075 -8.069 333 HG23 THR 45 HG23 THR 45 3.907 -8.785 -7.630 334 H TYR 46 H TYR 46 -0.766 -7.516 -7.220 335 HA TYR 46 HA TYR 46 -1.756 -6.487 -4.638 336 HB2 TYR 46 HB2 TYR 46 -2.496 -4.864 -6.289 337 HB3 TYR 46 HB3 TYR 46 -3.115 -6.149 -7.327 338 HD1 TYR 46 HD1 TYR 46 -3.481 -4.910 -3.767 339 HD2 TYR 46 HD2 TYR 46 -5.403 -6.653 -7.219 340 HE1 TYR 46 HE1 TYR 46 -5.676 -4.822 -2.610 341 HE2 TYR 46 HE2 TYR 46 -7.588 -6.522 -6.066 342 HH TYR 46 HH TYR 46 -8.677 -6.057 -3.975 343 H ASP 47 H ASP 47 -3.215 -7.748 -3.620 344 HA ASP 47 HA ASP 47 -4.121 -10.302 -4.855 345 HB2 ASP 47 HB2 ASP 47 -2.713 -9.882 -2.206 346 HB3 ASP 47 HB3 ASP 47 -3.818 -11.245 -2.471 347 H ASP 48 H ASP 48 -6.338 -9.797 -5.022 348 HA ASP 48 HA ASP 48 -7.662 -8.001 -3.284 349 HB2 ASP 48 HB2 ASP 48 -8.364 -8.726 -5.636 350 HB3 ASP 48 HB3 ASP 48 -9.042 -10.170 -4.886 351 H ALA 49 H ALA 49 -6.746 -11.179 -2.661 352 HA ALA 49 HA ALA 49 -8.771 -12.260 -1.093 353 HB1 ALA 49 HB1 ALA 49 -5.745 -12.482 -0.735 354 HB2 ALA 49 HB2 ALA 49 -6.945 -13.578 -0.019 355 HB3 ALA 49 HB3 ALA 49 -6.768 -13.494 -1.779 356 H THR 50 H THR 50 -6.080 -10.133 0.054 357 HA THR 50 HA THR 50 -7.777 -9.329 2.358 358 HB THR 50 HB THR 50 -4.773 -9.718 2.552 359 HG1 THR 50 HG1 THR 50 -5.387 -11.758 2.348 360 HG21 THR 50 HG21 THR 50 -5.284 -9.847 4.985 361 HG22 THR 50 HG22 THR 50 -5.734 -8.282 4.315 362 HG23 THR 50 HG23 THR 50 -6.991 -9.495 4.646 363 H LYS 51 H LYS 51 -6.766 -8.299 -0.561 364 HA LYS 51 HA LYS 51 -6.434 -6.633 -1.644 365 HB2 LYS 51 HB2 LYS 51 -7.627 -5.173 0.695 366 HB3 LYS 51 HB3 LYS 51 -7.454 -4.550 -0.961 367 HG2 LYS 51 HG2 LYS 51 -8.874 -6.695 -1.586 368 HG3 LYS 51 HG3 LYS 51 -9.269 -6.697 0.133 369 HD2 LYS 51 HD2 LYS 51 -10.006 -4.252 -0.158 370 HD3 LYS 51 HD3 LYS 51 -9.810 -4.472 -1.889 371 HE2 LYS 51 HE2 LYS 51 -11.436 -6.473 -0.319 372 HE3 LYS 51 HE3 LYS 51 -12.145 -4.885 -0.665 373 HZ1 LYS 51 HZ1 LYS 51 -12.548 -6.666 -2.363 374 HZ2 LYS 51 HZ2 LYS 51 -11.968 -5.218 -2.931 375 HZ3 LYS 51 HZ3 LYS 51 -10.981 -6.527 -2.811 376 H THR 52 H THR 52 -4.334 -7.754 -0.426 377 HA THR 52 HA THR 52 -2.659 -5.786 0.829 378 HB THR 52 HB THR 52 -1.898 -8.548 -0.129 379 HG1 THR 52 HG1 THR 52 -3.333 -9.102 1.240 380 HG21 THR 52 HG21 THR 52 0.014 -7.144 0.535 381 HG22 THR 52 HG22 THR 52 -0.783 -6.754 2.076 382 HG23 THR 52 HG23 THR 52 -0.264 -8.420 1.726 383 H PHE 53 H PHE 53 -1.605 -4.312 -0.236 384 HA PHE 53 HA PHE 53 -0.803 -4.672 -3.084 385 HB2 PHE 53 HB2 PHE 53 -0.956 -2.285 -1.197 386 HB3 PHE 53 HB3 PHE 53 -0.129 -2.225 -2.738 387 HD1 PHE 53 HD1 PHE 53 -1.521 -2.879 -4.876 388 HD2 PHE 53 HD2 PHE 53 -3.227 -1.621 -1.113 389 HE1 PHE 53 HE1 PHE 53 -3.562 -2.098 -6.057 390 HE2 PHE 53 HE2 PHE 53 -5.232 -0.795 -2.307 391 HZ PHE 53 HZ PHE 53 -5.405 -1.024 -4.772 392 H THR 54 H THR 54 1.397 -5.143 -3.373 393 HA THR 54 HA THR 54 3.213 -4.782 -1.041 394 HB THR 54 HB THR 54 3.061 -7.142 -2.938 395 HG1 THR 54 HG1 THR 54 2.285 -8.225 -1.154 396 HG21 THR 54 HG21 THR 54 4.844 -6.675 -0.495 397 HG22 THR 54 HG22 THR 54 4.720 -8.195 -1.423 398 HG23 THR 54 HG23 THR 54 5.388 -6.763 -2.186 399 H VAL 55 H VAL 55 5.266 -4.049 -1.484 400 HA VAL 55 HA VAL 55 5.981 -3.402 -4.271 401 HB VAL 55 HB VAL 55 5.946 -1.660 -1.811 402 HG11 VAL 55 HG11 VAL 55 8.250 -1.349 -2.593 403 HG12 VAL 55 HG12 VAL 55 7.687 -1.142 -4.268 404 HG13 VAL 55 HG13 VAL 55 7.286 0.061 -3.012 405 HG21 VAL 55 HG21 VAL 55 5.238 -1.151 -4.728 406 HG22 VAL 55 HG22 VAL 55 4.059 -1.622 -3.493 407 HG23 VAL 55 HG23 VAL 55 4.903 -0.073 -3.349 408 H THR 56 H THR 56 8.093 -3.763 -4.831 409 HA THR 56 HA THR 56 9.918 -4.808 -2.743 410 HB THR 56 HB THR 56 10.754 -6.302 -4.614 411 HG1 THR 56 HG1 THR 56 9.833 -5.584 -6.425 412 HG21 THR 56 HG21 THR 56 7.883 -6.780 -3.693 413 HG22 THR 56 HG22 THR 56 9.031 -7.995 -4.282 414 HG23 THR 56 HG23 THR 56 9.350 -7.158 -2.753 415 H GLU 57 H GLU 57 11.293 -3.115 -2.433 416 HA GLU 57 HA GLU 57 12.104 -1.272 -4.547 417 HB2 GLU 57 HB2 GLU 57 11.728 -0.535 -2.221 418 HB3 GLU 57 HB3 GLU 57 12.846 -1.770 -1.638 419 HG2 GLU 57 HG2 GLU 57 14.053 0.163 -1.422 420 HG3 GLU 57 HG3 GLU 57 14.712 -0.518 -2.881 Start of MODEL 8 1 H1 MET 1 H MET 1 -16.906 0.569 2.115 2 HA MET 1 HA MET 1 -16.935 0.085 -0.240 3 HB2 MET 1 HB2 MET 1 -15.415 2.106 -0.686 4 HB3 MET 1 HB3 MET 1 -14.049 1.036 -0.399 5 HG2 MET 1 HG2 MET 1 -14.618 1.155 -2.798 6 HG3 MET 1 HG3 MET 1 -14.880 -0.475 -2.177 7 HE1 MET 1 HE1 MET 1 -18.256 2.523 -3.325 8 HE2 MET 1 HE2 MET 1 -17.274 2.810 -1.881 9 HE3 MET 1 HE3 MET 1 -16.517 2.825 -3.496 10 H GLY 2 H GLY 2 -13.617 -0.298 1.435 11 HA2 GLY 2 HA2 GLY 2 -14.262 -2.943 2.131 12 HA3 GLY 2 HA3 GLY 2 -13.247 -2.883 0.672 13 H THR 3 H THR 3 -11.958 -4.057 2.554 14 HA THR 3 HA THR 3 -10.317 -2.049 3.932 15 HB THR 3 HB THR 3 -11.396 -3.627 5.445 16 HG1 THR 3 HG1 THR 3 -9.166 -2.806 5.680 17 HG21 THR 3 HG21 THR 3 -11.525 -5.646 3.965 18 HG22 THR 3 HG22 THR 3 -9.761 -5.824 4.090 19 HG23 THR 3 HG23 THR 3 -10.784 -5.990 5.533 20 H TYR 4 H TYR 4 -8.117 -1.980 3.463 21 HA TYR 4 HA TYR 4 -7.075 -3.846 1.443 22 HB2 TYR 4 HB2 TYR 4 -6.815 -0.844 1.156 23 HB3 TYR 4 HB3 TYR 4 -6.350 -2.081 0.003 24 HD1 TYR 4 HD1 TYR 4 -7.835 -2.575 -1.820 25 HD2 TYR 4 HD2 TYR 4 -9.406 -0.529 1.627 26 HE1 TYR 4 HE1 TYR 4 -9.969 -2.136 -3.027 27 HE2 TYR 4 HE2 TYR 4 -11.453 0.041 0.342 28 HH TYR 4 HH TYR 4 -12.115 -1.187 -2.905 29 H LYS 5 H LYS 5 -5.059 -4.453 1.811 30 HA LYS 5 HA LYS 5 -3.659 -3.266 4.148 31 HB2 LYS 5 HB2 LYS 5 -4.365 -5.649 4.076 32 HB3 LYS 5 HB3 LYS 5 -3.278 -5.904 2.726 33 HG2 LYS 5 HG2 LYS 5 -1.360 -5.204 4.268 34 HG3 LYS 5 HG3 LYS 5 -2.550 -5.189 5.594 35 HD2 LYS 5 HD2 LYS 5 -3.114 -7.534 5.165 36 HD3 LYS 5 HD3 LYS 5 -2.017 -7.565 3.767 37 HE2 LYS 5 HE2 LYS 5 -0.119 -6.988 5.401 38 HE3 LYS 5 HE3 LYS 5 -1.287 -7.318 6.711 39 HZ1 LYS 5 HZ1 LYS 5 -0.268 -9.184 4.662 40 HZ2 LYS 5 HZ2 LYS 5 -0.185 -9.343 6.295 41 HZ3 LYS 5 HZ3 LYS 5 -1.621 -9.515 5.530 42 H LEU 6 H LEU 6 -1.680 -2.289 3.989 43 HA LEU 6 HA LEU 6 -0.313 -2.208 1.352 44 HB2 LEU 6 HB2 LEU 6 -1.641 -0.115 2.678 45 HB3 LEU 6 HB3 LEU 6 0.045 0.231 2.954 46 HG LEU 6 HG LEU 6 -1.042 -0.468 0.206 47 HD11 LEU 6 HD11 LEU 6 -2.306 1.459 1.050 48 HD12 LEU 6 HD12 LEU 6 -0.800 2.318 1.419 49 HD13 LEU 6 HD13 LEU 6 -1.224 1.918 -0.269 50 HD21 LEU 6 HD21 LEU 6 1.414 1.099 1.066 51 HD22 LEU 6 HD22 LEU 6 1.420 -0.575 0.496 52 HD23 LEU 6 HD23 LEU 6 0.948 0.725 -0.599 53 H ILE 7 H ILE 7 1.624 -3.189 1.439 54 HA ILE 7 HA ILE 7 3.495 -2.623 3.661 55 HB ILE 7 HB ILE 7 3.097 -4.938 3.957 56 HG12 ILE 7 HG12 ILE 7 5.475 -5.029 2.037 57 HG13 ILE 7 HG13 ILE 7 5.599 -4.286 3.613 58 HG21 ILE 7 HG21 ILE 7 1.847 -5.500 2.004 59 HG22 ILE 7 HG22 ILE 7 3.253 -5.316 0.961 60 HG23 ILE 7 HG23 ILE 7 3.144 -6.649 2.128 61 HD11 ILE 7 HD11 ILE 7 5.043 -7.212 3.074 62 HD12 ILE 7 HD12 ILE 7 6.492 -6.460 3.749 63 HD13 ILE 7 HD13 ILE 7 4.989 -6.455 4.685 64 H LEU 8 H LEU 8 5.407 -1.883 3.194 65 HA LEU 8 HA LEU 8 6.237 -1.540 0.352 66 HB2 LEU 8 HB2 LEU 8 6.514 0.406 2.688 67 HB3 LEU 8 HB3 LEU 8 7.419 0.515 1.208 68 HG LEU 8 HG LEU 8 5.767 2.083 0.907 69 HD11 LEU 8 HD11 LEU 8 4.495 -0.359 -0.397 70 HD12 LEU 8 HD12 LEU 8 4.271 1.314 -0.872 71 HD13 LEU 8 HD13 LEU 8 5.861 0.564 -1.058 72 HD21 LEU 8 HD21 LEU 8 3.610 0.200 1.901 73 HD22 LEU 8 HD22 LEU 8 4.417 1.445 2.879 74 HD23 LEU 8 HD23 LEU 8 3.460 1.922 1.477 75 H ASN 9 H ASN 9 8.236 -2.551 -0.074 76 HA ASN 9 HA ASN 9 9.812 -3.349 2.300 77 HB2 ASN 9 HB2 ASN 9 9.855 -4.218 -0.615 78 HB3 ASN 9 HB3 ASN 9 11.044 -4.691 0.565 79 HD21 ASN 9 HD21 ASN 9 7.670 -6.835 0.446 80 HD22 ASN 9 HD22 ASN 9 8.116 -5.680 -0.828 81 H GLY 10 H GLY 10 11.981 -2.649 2.394 82 HA2 GLY 10 HA2 GLY 10 12.939 -0.636 0.471 83 HA3 GLY 10 HA3 GLY 10 12.896 -0.293 2.221 84 H LYS 11 H LYS 11 15.346 -0.330 0.984 85 HA LYS 11 HA LYS 11 16.716 -2.776 0.816 86 HB2 LYS 11 HB2 LYS 11 17.622 -0.696 0.011 87 HB3 LYS 11 HB3 LYS 11 17.554 0.053 1.608 88 HG2 LYS 11 HG2 LYS 11 19.355 -1.427 2.424 89 HG3 LYS 11 HG3 LYS 11 19.398 -2.234 0.840 90 HD2 LYS 11 HD2 LYS 11 19.888 -0.007 -0.207 91 HD3 LYS 11 HD3 LYS 11 19.992 0.709 1.407 92 HE2 LYS 11 HE2 LYS 11 22.004 -0.359 1.913 93 HE3 LYS 11 HE3 LYS 11 21.609 -1.762 0.906 94 HZ1 LYS 11 HZ1 LYS 11 21.948 -0.330 -1.047 95 HZ2 LYS 11 HZ2 LYS 11 22.578 0.844 -0.077 96 HZ3 LYS 11 HZ3 LYS 11 23.299 -0.647 -0.212 97 H THR 12 H THR 12 16.354 -0.633 3.668 98 HA THR 12 HA THR 12 16.989 -2.918 5.444 99 HB THR 12 HB THR 12 18.977 -1.654 5.324 100 HG1 THR 12 HG1 THR 12 17.481 -1.524 7.618 101 HG21 THR 12 HG21 THR 12 18.238 0.481 4.452 102 HG22 THR 12 HG22 THR 12 17.343 0.826 5.950 103 HG23 THR 12 HG23 THR 12 19.122 0.717 5.956 104 H LEU 13 H LEU 13 14.443 -1.073 4.464 105 HA LEU 13 HA LEU 13 13.300 -0.963 7.220 106 HB2 LEU 13 HB2 LEU 13 13.946 1.267 5.965 107 HB3 LEU 13 HB3 LEU 13 12.591 0.879 4.913 108 HG LEU 13 HG LEU 13 11.165 0.756 7.091 109 HD11 LEU 13 HD11 LEU 13 13.140 0.689 8.667 110 HD12 LEU 13 HD12 LEU 13 13.556 2.333 8.162 111 HD13 LEU 13 HD13 LEU 13 12.019 2.013 9.000 112 HD21 LEU 13 HD21 LEU 13 10.886 3.219 7.149 113 HD22 LEU 13 HD22 LEU 13 12.386 3.408 6.211 114 HD23 LEU 13 HD23 LEU 13 10.983 2.606 5.486 115 H LYS 14 H LYS 14 11.191 -1.643 7.447 116 HA LYS 14 HA LYS 14 9.614 -2.475 5.106 117 HB2 LYS 14 HB2 LYS 14 10.578 -4.362 7.297 118 HB3 LYS 14 HB3 LYS 14 9.071 -4.653 6.414 119 HG2 LYS 14 HG2 LYS 14 10.278 -4.581 4.263 120 HG3 LYS 14 HG3 LYS 14 11.813 -4.354 5.123 121 HD2 LYS 14 HD2 LYS 14 11.615 -6.525 6.188 122 HD3 LYS 14 HD3 LYS 14 10.000 -6.773 5.464 123 HE2 LYS 14 HE2 LYS 14 10.863 -6.834 3.254 124 HE3 LYS 14 HE3 LYS 14 12.415 -6.161 3.743 125 HZ1 LYS 14 HZ1 LYS 14 11.439 -8.837 4.505 126 HZ2 LYS 14 HZ2 LYS 14 12.477 -8.507 3.284 127 HZ3 LYS 14 HZ3 LYS 14 12.942 -8.199 4.833 128 H GLY 15 H GLY 15 7.353 -2.500 5.537 129 HA2 GLY 15 HA2 GLY 15 6.331 -2.020 8.206 130 HA3 GLY 15 HA3 GLY 15 6.212 -0.643 7.083 131 H GLU 16 H GLU 16 4.017 -2.439 8.208 132 HA GLU 16 HA GLU 16 2.704 -3.042 5.664 133 HB2 GLU 16 HB2 GLU 16 2.064 -5.310 6.392 134 HB3 GLU 16 HB3 GLU 16 3.781 -5.117 6.072 135 HG2 GLU 16 HG2 GLU 16 4.205 -4.992 8.553 136 HG3 GLU 16 HG3 GLU 16 2.508 -5.433 8.800 137 H THR 17 H THR 17 0.826 -1.965 5.797 138 HA THR 17 HA THR 17 -0.547 -1.902 8.474 139 HB THR 17 HB THR 17 0.669 0.216 7.870 140 HG1 THR 17 HG1 THR 17 -0.856 1.439 8.723 141 HG21 THR 17 HG21 THR 17 -0.393 1.771 6.313 142 HG22 THR 17 HG22 THR 17 0.111 0.312 5.451 143 HG23 THR 17 HG23 THR 17 -1.600 0.560 5.853 144 H THR 18 H THR 18 -2.931 -1.067 8.120 145 HA THR 18 HA THR 18 -4.140 -2.023 5.681 146 HB THR 18 HB THR 18 -3.895 -4.100 7.190 147 HG1 THR 18 HG1 THR 18 -6.074 -4.707 6.568 148 HG21 THR 18 HG21 THR 18 -4.638 -3.008 9.338 149 HG22 THR 18 HG22 THR 18 -6.270 -2.850 8.649 150 HG23 THR 18 HG23 THR 18 -5.572 -4.458 8.906 151 H THR 19 H THR 19 -6.449 -1.388 5.605 152 HA THR 19 HA THR 19 -7.418 0.437 7.647 153 HB THR 19 HB THR 19 -5.707 1.769 6.311 154 HG1 THR 19 HG1 THR 19 -7.361 3.438 5.681 155 HG21 THR 19 HG21 THR 19 -7.695 1.770 4.042 156 HG22 THR 19 HG22 THR 19 -6.042 2.419 4.073 157 HG23 THR 19 HG23 THR 19 -6.330 0.662 4.050 158 H GLU 20 H GLU 20 -9.573 1.316 6.899 159 HA GLU 20 HA GLU 20 -10.948 -0.230 4.839 160 HB2 GLU 20 HB2 GLU 20 -11.477 -1.266 7.111 161 HB3 GLU 20 HB3 GLU 20 -12.141 0.318 7.590 162 HG2 GLU 20 HG2 GLU 20 -13.665 0.200 5.560 163 HG3 GLU 20 HG3 GLU 20 -13.022 -1.410 5.222 164 H ALA 21 H ALA 21 -12.342 1.279 3.682 165 HA ALA 21 HA ALA 21 -12.502 3.995 4.838 166 HB1 ALA 21 HB1 ALA 21 -10.455 4.099 3.436 167 HB2 ALA 21 HB2 ALA 21 -11.401 3.538 2.017 168 HB3 ALA 21 HB3 ALA 21 -11.777 5.082 2.797 169 H VAL 22 H VAL 22 -14.066 5.271 4.041 170 HA VAL 22 HA VAL 22 -16.530 4.142 3.471 171 HB VAL 22 HB VAL 22 -17.230 6.466 2.918 172 HG11 VAL 22 HG11 VAL 22 -15.379 6.429 5.329 173 HG12 VAL 22 HG12 VAL 22 -16.858 7.393 5.085 174 HG13 VAL 22 HG13 VAL 22 -16.964 5.641 5.288 175 HG21 VAL 22 HG21 VAL 22 -15.618 8.346 3.210 176 HG22 VAL 22 HG22 VAL 22 -14.267 7.206 3.236 177 HG23 VAL 22 HG23 VAL 22 -15.259 7.402 1.773 178 H ASP 23 H ASP 23 -14.233 5.630 1.111 179 HA ASP 23 HA ASP 23 -15.518 4.094 -1.087 180 HB2 ASP 23 HB2 ASP 23 -16.355 6.417 -1.065 181 HB3 ASP 23 HB3 ASP 23 -14.677 6.997 -1.109 182 H ALA 24 H ALA 24 -13.971 3.801 -2.900 183 HA ALA 24 HA ALA 24 -11.343 3.189 -1.924 184 HB1 ALA 24 HB1 ALA 24 -12.303 1.745 -3.542 185 HB2 ALA 24 HB2 ALA 24 -12.467 3.077 -4.736 186 HB3 ALA 24 HB3 ALA 24 -10.865 2.487 -4.232 187 H ALA 25 H ALA 25 -12.657 6.176 -3.259 188 HA ALA 25 HA ALA 25 -10.284 7.241 -4.385 189 HB1 ALA 25 HB1 ALA 25 -12.572 8.613 -2.897 190 HB2 ALA 25 HB2 ALA 25 -11.322 9.454 -3.844 191 HB3 ALA 25 HB3 ALA 25 -12.446 8.340 -4.640 192 H THR 26 H THR 26 -11.398 7.067 -0.985 193 HA THR 26 HA THR 26 -9.292 8.635 0.176 194 HB THR 26 HB THR 26 -10.982 6.336 1.239 195 HG1 THR 26 HG1 THR 26 -11.960 8.468 0.718 196 HG21 THR 26 HG21 THR 26 -10.399 7.100 3.536 197 HG22 THR 26 HG22 THR 26 -8.998 6.460 2.678 198 HG23 THR 26 HG23 THR 26 -9.199 8.219 2.846 199 H ALA 27 H ALA 27 -9.554 5.197 -0.760 200 HA ALA 27 HA ALA 27 -7.058 4.395 0.382 201 HB1 ALA 27 HB1 ALA 27 -7.421 2.305 -0.754 202 HB2 ALA 27 HB2 ALA 27 -8.968 2.857 -0.065 203 HB3 ALA 27 HB3 ALA 27 -8.645 3.011 -1.813 204 H GLU 28 H GLU 28 -8.059 5.564 -2.895 205 HA GLU 28 HA GLU 28 -5.542 5.088 -4.159 206 HB2 GLU 28 HB2 GLU 28 -7.649 5.601 -5.412 207 HB3 GLU 28 HB3 GLU 28 -7.554 7.277 -4.827 208 HG2 GLU 28 HG2 GLU 28 -5.250 7.431 -5.860 209 HG3 GLU 28 HG3 GLU 28 -5.478 5.826 -6.550 210 H LYS 29 H LYS 29 -6.838 7.868 -2.339 211 HA LYS 29 HA LYS 29 -4.557 9.559 -2.727 212 HB2 LYS 29 HB2 LYS 29 -6.761 10.392 -2.047 213 HB3 LYS 29 HB3 LYS 29 -6.657 9.522 -0.505 214 HG2 LYS 29 HG2 LYS 29 -4.705 10.858 0.160 215 HG3 LYS 29 HG3 LYS 29 -4.676 11.652 -1.423 216 HD2 LYS 29 HD2 LYS 29 -6.871 12.688 -0.961 217 HD3 LYS 29 HD3 LYS 29 -6.940 11.846 0.615 218 HE2 LYS 29 HE2 LYS 29 -4.790 12.916 1.261 219 HE3 LYS 29 HE3 LYS 29 -4.746 13.775 -0.281 220 HZ1 LYS 29 HZ1 LYS 29 -5.551 15.166 1.451 221 HZ2 LYS 29 HZ2 LYS 29 -6.743 14.931 0.368 222 HZ3 LYS 29 HZ3 LYS 29 -6.776 14.148 1.844 223 H VAL 30 H VAL 30 -5.432 7.425 0.091 224 HA VAL 30 HA VAL 30 -3.009 8.025 1.430 225 HB VAL 30 HB VAL 30 -5.171 6.954 2.368 226 HG11 VAL 30 HG11 VAL 30 -3.624 4.376 1.923 227 HG12 VAL 30 HG12 VAL 30 -5.169 4.588 2.764 228 HG13 VAL 30 HG13 VAL 30 -5.070 4.849 1.016 229 HG21 VAL 30 HG21 VAL 30 -3.930 6.106 4.310 230 HG22 VAL 30 HG22 VAL 30 -2.432 6.072 3.360 231 HG23 VAL 30 HG23 VAL 30 -3.231 7.616 3.711 232 H PHE 31 H PHE 31 -3.701 5.601 -1.088 233 HA PHE 31 HA PHE 31 -1.410 4.007 -0.853 234 HB2 PHE 31 HB2 PHE 31 -3.234 3.414 -2.231 235 HB3 PHE 31 HB3 PHE 31 -3.149 4.875 -3.182 236 HD1 PHE 31 HD1 PHE 31 -0.548 5.080 -4.442 237 HD2 PHE 31 HD2 PHE 31 -2.978 1.607 -3.594 238 HE1 PHE 31 HE1 PHE 31 0.596 3.839 -6.200 239 HE2 PHE 31 HE2 PHE 31 -1.869 0.404 -5.439 240 HZ PHE 31 HZ PHE 31 -0.054 1.507 -6.723 241 H LYS 32 H LYS 32 -1.821 7.194 -2.477 242 HA LYS 32 HA LYS 32 0.894 7.077 -3.506 243 HB2 LYS 32 HB2 LYS 32 -1.055 8.356 -4.482 244 HB3 LYS 32 HB3 LYS 32 -0.808 9.579 -3.242 245 HG2 LYS 32 HG2 LYS 32 1.376 10.126 -4.102 246 HG3 LYS 32 HG3 LYS 32 1.467 8.622 -5.033 247 HD2 LYS 32 HD2 LYS 32 -0.412 9.359 -6.445 248 HD3 LYS 32 HD3 LYS 32 -0.450 10.914 -5.609 249 HE2 LYS 32 HE2 LYS 32 1.788 11.469 -6.401 250 HE3 LYS 32 HE3 LYS 32 2.020 9.822 -7.024 251 HZ1 LYS 32 HZ1 LYS 32 0.279 10.192 -8.596 252 HZ2 LYS 32 HZ2 LYS 32 0.019 11.729 -8.054 253 HZ3 LYS 32 HZ3 LYS 32 1.439 11.332 -8.796 254 H GLN 33 H GLN 33 -0.672 8.983 -0.867 255 HA GLN 33 HA GLN 33 1.759 10.178 -0.044 256 HB2 GLN 33 HB2 GLN 33 -0.322 11.153 0.512 257 HB3 GLN 33 HB3 GLN 33 -0.913 9.713 1.321 258 HG2 GLN 33 HG2 GLN 33 1.545 11.117 2.422 259 HG3 GLN 33 HG3 GLN 33 -0.042 11.812 2.708 260 HE21 GLN 33 HE21 GLN 33 -1.188 9.083 4.800 261 HE22 GLN 33 HE22 GLN 33 -1.784 10.255 3.623 262 H TYR 34 H TYR 34 0.085 7.352 1.568 263 HA TYR 34 HA TYR 34 2.039 7.032 3.524 264 HB2 TYR 34 HB2 TYR 34 -0.132 5.980 3.622 265 HB3 TYR 34 HB3 TYR 34 0.222 4.985 2.210 266 HD1 TYR 34 HD1 TYR 34 1.153 2.873 2.434 267 HD2 TYR 34 HD2 TYR 34 1.377 5.623 5.734 268 HE1 TYR 34 HE1 TYR 34 2.125 1.074 3.853 269 HE2 TYR 34 HE2 TYR 34 2.376 3.840 7.150 270 HH TYR 34 HH TYR 34 3.757 1.624 6.720 271 H ALA 35 H ALA 35 1.970 5.468 0.282 272 HA ALA 35 HA ALA 35 4.391 4.004 0.853 273 HB1 ALA 35 HB1 ALA 35 2.990 4.615 -1.763 274 HB2 ALA 35 HB2 ALA 35 4.305 3.456 -1.552 275 HB3 ALA 35 HB3 ALA 35 2.755 3.180 -0.723 276 H ASN 36 H ASN 36 3.809 7.025 -1.143 277 HA ASN 36 HA ASN 36 6.583 7.142 -1.859 278 HB2 ASN 36 HB2 ASN 36 4.993 8.261 -3.168 279 HB3 ASN 36 HB3 ASN 36 4.430 9.251 -1.786 280 HD21 ASN 36 HD21 ASN 36 8.185 10.119 -3.302 281 HD22 ASN 36 HD22 ASN 36 7.603 8.503 -3.473 282 H ASP 37 H ASP 37 4.816 8.370 0.989 283 HA ASP 37 HA ASP 37 6.937 10.005 2.010 284 HB2 ASP 37 HB2 ASP 37 4.524 10.171 2.570 285 HB3 ASP 37 HB3 ASP 37 4.619 8.611 3.408 286 H ASN 38 H ASN 38 6.507 6.610 1.790 287 HA ASN 38 HA ASN 38 8.248 5.819 4.018 288 HB2 ASN 38 HB2 ASN 38 6.115 4.647 3.036 289 HB3 ASN 38 HB3 ASN 38 7.187 4.067 1.785 290 HD21 ASN 38 HD21 ASN 38 6.615 1.777 4.879 291 HD22 ASN 38 HD22 ASN 38 5.688 3.208 4.537 292 H GLY 39 H GLY 39 8.727 7.119 0.890 293 HA2 GLY 39 HA2 GLY 39 10.708 7.457 -0.237 294 HA3 GLY 39 HA3 GLY 39 11.536 6.408 0.904 295 H VAL 40 H VAL 40 8.753 5.513 -1.266 296 HA VAL 40 HA VAL 40 10.532 3.411 -2.397 297 HB VAL 40 HB VAL 40 8.679 2.029 -2.628 298 HG11 VAL 40 HG11 VAL 40 9.391 2.478 -0.231 299 HG12 VAL 40 HG12 VAL 40 7.999 3.598 -0.130 300 HG13 VAL 40 HG13 VAL 40 7.736 1.875 -0.450 301 HG21 VAL 40 HG21 VAL 40 6.847 4.423 -2.157 302 HG22 VAL 40 HG22 VAL 40 6.977 3.475 -3.634 303 HG23 VAL 40 HG23 VAL 40 6.321 2.717 -2.194 304 H ASP 41 H ASP 41 10.794 3.024 -4.519 305 HA ASP 41 HA ASP 41 9.169 4.361 -6.534 306 HB2 ASP 41 HB2 ASP 41 11.054 5.974 -6.119 307 HB3 ASP 41 HB3 ASP 41 12.178 4.748 -6.730 308 H GLY 42 H GLY 42 8.597 1.949 -6.245 309 HA2 GLY 42 HA2 GLY 42 10.249 0.304 -8.107 310 HA3 GLY 42 HA3 GLY 42 9.747 -0.319 -6.539 311 H GLU 43 H GLU 43 8.809 -2.018 -7.901 312 HA GLU 43 HA GLU 43 6.341 -1.291 -9.369 313 HB2 GLU 43 HB2 GLU 43 6.402 -3.410 -10.415 314 HB3 GLU 43 HB3 GLU 43 7.937 -2.586 -10.631 315 HG2 GLU 43 HG2 GLU 43 9.039 -4.055 -9.037 316 HG3 GLU 43 HG3 GLU 43 7.494 -4.760 -8.540 317 H TRP 44 H TRP 44 4.354 -2.203 -8.977 318 HA TRP 44 HA TRP 44 3.936 -3.271 -6.245 319 HB2 TRP 44 HB2 TRP 44 2.172 -1.652 -8.112 320 HB3 TRP 44 HB3 TRP 44 1.690 -2.250 -6.538 321 HD1 TRP 44 HD1 TRP 44 4.794 -0.106 -7.672 322 HE1 TRP 44 HE1 TRP 44 5.156 1.717 -5.996 323 HE3 TRP 44 HE3 TRP 44 0.784 -1.051 -4.648 324 HZ2 TRP 44 HZ2 TRP 44 3.609 2.965 -3.857 325 HZ3 TRP 44 HZ3 TRP 44 0.200 0.529 -2.833 326 HH2 TRP 44 HH2 TRP 44 1.551 2.561 -2.462 327 H THR 45 H THR 45 2.613 -5.039 -5.871 328 HA THR 45 HA THR 45 1.299 -6.430 -8.152 329 HB THR 45 HB THR 45 1.829 -8.542 -6.762 330 HG1 THR 45 HG1 THR 45 2.654 -7.847 -4.919 331 HG21 THR 45 HG21 THR 45 2.884 -8.101 -8.924 332 HG22 THR 45 HG22 THR 45 4.095 -7.060 -8.161 333 HG23 THR 45 HG23 THR 45 4.057 -8.798 -7.796 334 H TYR 46 H TYR 46 -0.554 -7.912 -7.293 335 HA TYR 46 HA TYR 46 -1.782 -6.707 -4.854 336 HB2 TYR 46 HB2 TYR 46 -2.649 -5.582 -6.836 337 HB3 TYR 46 HB3 TYR 46 -3.030 -7.129 -7.591 338 HD1 TYR 46 HD1 TYR 46 -3.647 -5.501 -4.233 339 HD2 TYR 46 HD2 TYR 46 -5.359 -7.529 -7.650 340 HE1 TYR 46 HE1 TYR 46 -5.856 -5.479 -3.151 341 HE2 TYR 46 HE2 TYR 46 -7.576 -7.526 -6.541 342 HH TYR 46 HH TYR 46 -8.699 -7.116 -4.397 343 H ASP 47 H ASP 47 -2.808 -8.071 -3.513 344 HA ASP 47 HA ASP 47 -3.433 -10.882 -4.271 345 HB2 ASP 47 HB2 ASP 47 -1.652 -9.832 -2.129 346 HB3 ASP 47 HB3 ASP 47 -2.842 -11.039 -1.602 347 H ASP 48 H ASP 48 -5.615 -10.653 -4.475 348 HA ASP 48 HA ASP 48 -7.199 -8.764 -3.140 349 HB2 ASP 48 HB2 ASP 48 -7.724 -9.977 -5.275 350 HB3 ASP 48 HB3 ASP 48 -8.193 -11.380 -4.299 351 H ALA 49 H ALA 49 -6.114 -11.784 -1.706 352 HA ALA 49 HA ALA 49 -8.285 -12.447 -0.126 353 HB1 ALA 49 HB1 ALA 49 -5.340 -12.503 0.668 354 HB2 ALA 49 HB2 ALA 49 -6.652 -13.385 1.477 355 HB3 ALA 49 HB3 ALA 49 -6.238 -13.778 -0.201 356 H THR 50 H THR 50 -5.874 -9.916 0.644 357 HA THR 50 HA THR 50 -7.774 -8.776 2.627 358 HB THR 50 HB THR 50 -4.849 -8.420 3.140 359 HG1 THR 50 HG1 THR 50 -4.658 -10.311 4.191 360 HG21 THR 50 HG21 THR 50 -6.579 -7.318 4.537 361 HG22 THR 50 HG22 THR 50 -7.231 -8.905 4.974 362 HG23 THR 50 HG23 THR 50 -5.596 -8.441 5.471 363 H LYS 51 H LYS 51 -6.855 -8.403 -0.382 364 HA LYS 51 HA LYS 51 -6.446 -6.954 -1.829 365 HB2 LYS 51 HB2 LYS 51 -7.792 -4.923 -0.042 366 HB3 LYS 51 HB3 LYS 51 -7.618 -4.864 -1.789 367 HG2 LYS 51 HG2 LYS 51 -8.919 -7.086 -1.824 368 HG3 LYS 51 HG3 LYS 51 -9.252 -6.814 -0.112 369 HD2 LYS 51 HD2 LYS 51 -10.351 -4.668 -0.639 370 HD3 LYS 51 HD3 LYS 51 -10.040 -4.911 -2.367 371 HE2 LYS 51 HE2 LYS 51 -11.609 -6.840 -0.591 372 HE3 LYS 51 HE3 LYS 51 -12.354 -5.586 -1.592 373 HZ1 LYS 51 HZ1 LYS 51 -12.347 -7.708 -2.685 374 HZ2 LYS 51 HZ2 LYS 51 -11.409 -6.647 -3.538 375 HZ3 LYS 51 HZ3 LYS 51 -10.718 -7.829 -2.653 376 H THR 52 H THR 52 -4.505 -7.753 -0.590 377 HA THR 52 HA THR 52 -2.688 -6.030 0.715 378 HB THR 52 HB THR 52 -2.488 -8.768 -0.578 379 HG1 THR 52 HG1 THR 52 -3.059 -9.609 1.385 380 HG21 THR 52 HG21 THR 52 -0.274 -7.885 0.181 381 HG22 THR 52 HG22 THR 52 -0.928 -7.811 1.829 382 HG23 THR 52 HG23 THR 52 -0.794 -9.358 1.011 383 H PHE 53 H PHE 53 -1.513 -4.557 -0.337 384 HA PHE 53 HA PHE 53 -0.618 -5.063 -3.133 385 HB2 PHE 53 HB2 PHE 53 -0.952 -2.533 -1.490 386 HB3 PHE 53 HB3 PHE 53 0.013 -2.598 -2.956 387 HD1 PHE 53 HD1 PHE 53 -0.978 -2.651 -5.164 388 HD2 PHE 53 HD2 PHE 53 -3.464 -2.999 -1.643 389 HE1 PHE 53 HE1 PHE 53 -2.982 -2.175 -6.525 390 HE2 PHE 53 HE2 PHE 53 -5.465 -2.524 -3.022 391 HZ PHE 53 HZ PHE 53 -5.223 -2.072 -5.459 392 H THR 54 H THR 54 1.585 -5.329 -3.432 393 HA THR 54 HA THR 54 3.367 -4.940 -1.110 394 HB THR 54 HB THR 54 3.707 -7.331 -2.929 395 HG1 THR 54 HG1 THR 54 1.890 -7.915 -2.156 396 HG21 THR 54 HG21 THR 54 4.602 -6.767 -0.056 397 HG22 THR 54 HG22 THR 54 4.935 -8.237 -0.972 398 HG23 THR 54 HG23 THR 54 5.621 -6.702 -1.505 399 H VAL 55 H VAL 55 5.397 -4.215 -1.645 400 HA VAL 55 HA VAL 55 5.830 -3.410 -4.456 401 HB VAL 55 HB VAL 55 5.974 -1.902 -1.869 402 HG11 VAL 55 HG11 VAL 55 8.333 -1.694 -2.505 403 HG12 VAL 55 HG12 VAL 55 7.882 -1.274 -4.169 404 HG13 VAL 55 HG13 VAL 55 7.492 -0.185 -2.803 405 HG21 VAL 55 HG21 VAL 55 5.409 -1.127 -4.750 406 HG22 VAL 55 HG22 VAL 55 4.173 -1.614 -3.583 407 HG23 VAL 55 HG23 VAL 55 5.096 -0.120 -3.318 408 H THR 56 H THR 56 7.787 -3.746 -5.333 409 HA THR 56 HA THR 56 9.812 -5.115 -3.627 410 HB THR 56 HB THR 56 8.962 -5.532 -6.511 411 HG1 THR 56 HG1 THR 56 8.609 -7.527 -5.817 412 HG21 THR 56 HG21 THR 56 11.516 -6.474 -5.129 413 HG22 THR 56 HG22 THR 56 10.840 -7.203 -6.605 414 HG23 THR 56 HG23 THR 56 11.368 -5.524 -6.614 415 H GLU 57 H GLU 57 11.080 -3.522 -3.013 416 HA GLU 57 HA GLU 57 11.989 -1.428 -4.904 417 HB2 GLU 57 HB2 GLU 57 11.018 -0.904 -2.589 418 HB3 GLU 57 HB3 GLU 57 12.391 -1.788 -1.911 419 HG2 GLU 57 HG2 GLU 57 13.251 0.291 -1.759 420 HG3 GLU 57 HG3 GLU 57 13.843 -0.082 -3.370 Start of MODEL 9 1 H1 MET 1 H MET 1 -16.286 1.446 1.102 2 HA MET 1 HA MET 1 -16.970 -0.711 0.348 3 HB2 MET 1 HB2 MET 1 -15.627 0.693 -1.222 4 HB3 MET 1 HB3 MET 1 -14.188 -0.239 -0.762 5 HG2 MET 1 HG2 MET 1 -15.360 -2.324 -1.467 6 HG3 MET 1 HG3 MET 1 -16.766 -1.371 -1.944 7 HE1 MET 1 HE1 MET 1 -15.522 0.510 -5.123 8 HE2 MET 1 HE2 MET 1 -16.895 0.155 -4.048 9 HE3 MET 1 HE3 MET 1 -15.543 1.154 -3.468 10 H GLY 2 H GLY 2 -13.654 -0.864 1.916 11 HA2 GLY 2 HA2 GLY 2 -14.242 -3.142 3.370 12 HA3 GLY 2 HA3 GLY 2 -13.473 -3.652 1.851 13 H THR 3 H THR 3 -11.917 -4.212 3.840 14 HA THR 3 HA THR 3 -10.087 -1.950 4.350 15 HB THR 3 HB THR 3 -10.819 -3.298 6.286 16 HG1 THR 3 HG1 THR 3 -8.966 -2.691 6.946 17 HG21 THR 3 HG21 THR 3 -11.011 -5.531 5.181 18 HG22 THR 3 HG22 THR 3 -9.235 -5.592 5.054 19 HG23 THR 3 HG23 THR 3 -10.019 -5.549 6.648 20 H TYR 4 H TYR 4 -7.984 -2.029 3.551 21 HA TYR 4 HA TYR 4 -7.236 -4.188 1.671 22 HB2 TYR 4 HB2 TYR 4 -6.916 -1.230 1.198 23 HB3 TYR 4 HB3 TYR 4 -6.374 -2.499 0.120 24 HD1 TYR 4 HD1 TYR 4 -7.842 -3.157 -1.693 25 HD2 TYR 4 HD2 TYR 4 -9.460 -0.975 1.651 26 HE1 TYR 4 HE1 TYR 4 -10.002 -2.889 -2.887 27 HE2 TYR 4 HE2 TYR 4 -11.563 -0.638 0.410 28 HH TYR 4 HH TYR 4 -12.067 -1.811 -2.898 29 H LYS 5 H LYS 5 -4.998 -4.717 1.812 30 HA LYS 5 HA LYS 5 -3.654 -3.365 4.136 31 HB2 LYS 5 HB2 LYS 5 -4.226 -5.914 3.948 32 HB3 LYS 5 HB3 LYS 5 -2.758 -5.976 2.972 33 HG2 LYS 5 HG2 LYS 5 -1.392 -5.255 4.812 34 HG3 LYS 5 HG3 LYS 5 -2.817 -4.780 5.767 35 HD2 LYS 5 HD2 LYS 5 -3.592 -7.081 5.900 36 HD3 LYS 5 HD3 LYS 5 -2.266 -7.634 4.868 37 HE2 LYS 5 HE2 LYS 5 -1.628 -6.125 7.407 38 HE3 LYS 5 HE3 LYS 5 -2.187 -7.801 7.546 39 HZ1 LYS 5 HZ1 LYS 5 0.335 -7.347 7.296 40 HZ2 LYS 5 HZ2 LYS 5 -0.344 -8.597 6.453 41 HZ3 LYS 5 HZ3 LYS 5 0.003 -7.197 5.708 42 H LEU 6 H LEU 6 -1.713 -2.269 3.827 43 HA LEU 6 HA LEU 6 -0.507 -2.335 1.090 44 HB2 LEU 6 HB2 LEU 6 -1.992 -0.326 1.705 45 HB3 LEU 6 HB3 LEU 6 -0.660 0.210 2.723 46 HG LEU 6 HG LEU 6 -0.310 -0.491 -0.230 47 HD11 LEU 6 HD11 LEU 6 -2.062 1.196 -0.083 48 HD12 LEU 6 HD12 LEU 6 -1.042 2.198 0.982 49 HD13 LEU 6 HD13 LEU 6 -0.579 1.919 -0.711 50 HD21 LEU 6 HD21 LEU 6 1.279 1.359 1.610 51 HD22 LEU 6 HD22 LEU 6 1.773 -0.265 1.073 52 HD23 LEU 6 HD23 LEU 6 1.619 1.026 -0.099 53 H ILE 7 H ILE 7 1.329 -3.387 1.338 54 HA ILE 7 HA ILE 7 3.223 -2.826 3.545 55 HB ILE 7 HB ILE 7 2.307 -5.011 3.852 56 HG12 ILE 7 HG12 ILE 7 5.034 -5.483 2.579 57 HG13 ILE 7 HG13 ILE 7 4.821 -4.648 4.115 58 HG21 ILE 7 HG21 ILE 7 3.032 -5.594 0.957 59 HG22 ILE 7 HG22 ILE 7 2.518 -6.831 2.078 60 HG23 ILE 7 HG23 ILE 7 1.406 -5.527 1.633 61 HD11 ILE 7 HD11 ILE 7 4.071 -7.536 3.526 62 HD12 ILE 7 HD12 ILE 7 5.342 -6.936 4.596 63 HD13 ILE 7 HD13 ILE 7 3.644 -6.677 5.025 64 H LEU 8 H LEU 8 5.228 -2.343 3.161 65 HA LEU 8 HA LEU 8 6.192 -2.149 0.354 66 HB2 LEU 8 HB2 LEU 8 6.844 -0.356 2.730 67 HB3 LEU 8 HB3 LEU 8 7.487 -0.214 1.112 68 HG LEU 8 HG LEU 8 5.943 1.512 1.382 69 HD11 LEU 8 HD11 LEU 8 4.439 -0.596 -0.222 70 HD12 LEU 8 HD12 LEU 8 4.296 1.155 -0.388 71 HD13 LEU 8 HD13 LEU 8 5.814 0.355 -0.819 72 HD21 LEU 8 HD21 LEU 8 4.678 0.526 3.315 73 HD22 LEU 8 HD22 LEU 8 3.733 1.448 2.119 74 HD23 LEU 8 HD23 LEU 8 3.678 -0.319 2.142 75 H ASN 9 H ASN 9 8.280 -2.875 -0.014 76 HA ASN 9 HA ASN 9 9.858 -3.937 2.248 77 HB2 ASN 9 HB2 ASN 9 9.562 -5.186 -0.516 78 HB3 ASN 9 HB3 ASN 9 10.657 -5.684 0.743 79 HD21 ASN 9 HD21 ASN 9 6.728 -6.881 0.715 80 HD22 ASN 9 HD22 ASN 9 7.339 -5.606 -0.337 81 H GLY 10 H GLY 10 11.420 -2.361 2.322 82 HA2 GLY 10 HA2 GLY 10 12.353 -1.048 -0.162 83 HA3 GLY 10 HA3 GLY 10 12.570 -0.497 1.501 84 H LYS 11 H LYS 11 14.839 -0.452 0.320 85 HA LYS 11 HA LYS 11 16.344 -2.876 0.052 86 HB2 LYS 11 HB2 LYS 11 16.906 -0.504 -0.730 87 HB3 LYS 11 HB3 LYS 11 17.382 -0.134 0.926 88 HG2 LYS 11 HG2 LYS 11 19.042 -2.025 0.756 89 HG3 LYS 11 HG3 LYS 11 18.595 -2.182 -0.956 90 HD2 LYS 11 HD2 LYS 11 19.261 0.302 -1.194 91 HD3 LYS 11 HD3 LYS 11 19.938 0.165 0.446 92 HE2 LYS 11 HE2 LYS 11 21.193 -1.906 -0.438 93 HE3 LYS 11 HE3 LYS 11 20.714 -1.396 -2.052 94 HZ1 LYS 11 HZ1 LYS 11 22.941 -0.648 -1.351 95 HZ2 LYS 11 HZ2 LYS 11 21.986 0.639 -1.725 96 HZ3 LYS 11 HZ3 LYS 11 22.294 0.231 -0.155 97 H THR 12 H THR 12 16.029 -0.585 2.742 98 HA THR 12 HA THR 12 16.768 -2.699 4.699 99 HB THR 12 HB THR 12 18.484 -0.812 4.188 100 HG1 THR 12 HG1 THR 12 17.704 -1.856 6.626 101 HG21 THR 12 HG21 THR 12 16.738 1.039 4.446 102 HG22 THR 12 HG22 THR 12 16.796 0.728 6.189 103 HG23 THR 12 HG23 THR 12 18.246 1.252 5.319 104 H LEU 13 H LEU 13 14.492 -0.280 3.694 105 HA LEU 13 HA LEU 13 13.211 0.057 6.297 106 HB2 LEU 13 HB2 LEU 13 12.336 0.966 3.525 107 HB3 LEU 13 HB3 LEU 13 11.710 1.542 5.062 108 HG LEU 13 HG LEU 13 14.511 2.031 3.962 109 HD11 LEU 13 HD11 LEU 13 12.156 3.928 4.311 110 HD12 LEU 13 HD12 LEU 13 13.771 4.350 3.706 111 HD13 LEU 13 HD13 LEU 13 12.735 3.265 2.772 112 HD21 LEU 13 HD21 LEU 13 14.578 1.945 6.419 113 HD22 LEU 13 HD22 LEU 13 14.772 3.602 5.853 114 HD23 LEU 13 HD23 LEU 13 13.210 3.080 6.513 115 H LYS 14 H LYS 14 11.164 -0.738 6.813 116 HA LYS 14 HA LYS 14 9.683 -2.326 4.840 117 HB2 LYS 14 HB2 LYS 14 10.881 -3.536 7.375 118 HB3 LYS 14 HB3 LYS 14 9.361 -4.141 6.687 119 HG2 LYS 14 HG2 LYS 14 10.506 -4.402 4.471 120 HG3 LYS 14 HG3 LYS 14 12.049 -4.000 5.252 121 HD2 LYS 14 HD2 LYS 14 11.977 -5.971 6.612 122 HD3 LYS 14 HD3 LYS 14 10.298 -6.307 6.161 123 HE2 LYS 14 HE2 LYS 14 10.945 -6.633 3.817 124 HE3 LYS 14 HE3 LYS 14 12.605 -6.133 4.170 125 HZ1 LYS 14 HZ1 LYS 14 12.398 -8.497 4.023 126 HZ2 LYS 14 HZ2 LYS 14 12.842 -8.071 5.558 127 HZ3 LYS 14 HZ3 LYS 14 11.295 -8.546 5.252 128 H GLY 15 H GLY 15 7.423 -2.324 5.268 129 HA2 GLY 15 HA2 GLY 15 6.420 -1.437 7.825 130 HA3 GLY 15 HA3 GLY 15 6.399 -0.155 6.598 131 H GLU 16 H GLU 16 4.078 -1.521 7.879 132 HA GLU 16 HA GLU 16 2.676 -2.126 5.413 133 HB2 GLU 16 HB2 GLU 16 1.758 -4.242 6.172 134 HB3 GLU 16 HB3 GLU 16 3.508 -4.330 5.995 135 HG2 GLU 16 HG2 GLU 16 3.769 -4.113 8.467 136 HG3 GLU 16 HG3 GLU 16 2.004 -4.087 8.628 137 H THR 17 H THR 17 0.470 -1.773 5.551 138 HA THR 17 HA THR 17 -0.682 -1.043 8.177 139 HB THR 17 HB THR 17 0.471 1.026 7.337 140 HG1 THR 17 HG1 THR 17 -1.024 2.035 8.299 141 HG21 THR 17 HG21 THR 17 0.120 0.644 4.899 142 HG22 THR 17 HG22 THR 17 -1.612 0.943 5.097 143 HG23 THR 17 HG23 THR 17 -0.441 2.236 5.420 144 H THR 18 H THR 18 -3.108 -0.193 7.548 145 HA THR 18 HA THR 18 -4.142 -1.599 5.268 146 HB THR 18 HB THR 18 -3.868 -3.185 7.349 147 HG1 THR 18 HG1 THR 18 -5.961 -3.067 5.538 148 HG21 THR 18 HG21 THR 18 -6.529 -1.945 8.077 149 HG22 THR 18 HG22 THR 18 -5.790 -3.382 8.799 150 HG23 THR 18 HG23 THR 18 -5.019 -1.796 9.008 151 H THR 19 H THR 19 -6.330 -0.758 4.728 152 HA THR 19 HA THR 19 -7.187 1.593 6.341 153 HB THR 19 HB THR 19 -6.854 1.691 3.336 154 HG1 THR 19 HG1 THR 19 -4.974 2.437 5.325 155 HG21 THR 19 HG21 THR 19 -7.170 3.875 5.431 156 HG22 THR 19 HG22 THR 19 -6.938 4.128 3.684 157 HG23 THR 19 HG23 THR 19 -8.407 3.341 4.275 158 H GLU 20 H GLU 20 -9.321 1.452 6.735 159 HA GLU 20 HA GLU 20 -11.105 0.183 4.703 160 HB2 GLU 20 HB2 GLU 20 -11.211 -1.130 6.723 161 HB3 GLU 20 HB3 GLU 20 -11.479 0.317 7.723 162 HG2 GLU 20 HG2 GLU 20 -13.634 0.718 6.662 163 HG3 GLU 20 HG3 GLU 20 -13.306 -0.478 5.409 164 H ALA 21 H ALA 21 -12.004 1.766 3.558 165 HA ALA 21 HA ALA 21 -12.731 4.323 4.895 166 HB1 ALA 21 HB1 ALA 21 -12.121 5.440 2.791 167 HB2 ALA 21 HB2 ALA 21 -10.718 4.602 3.480 168 HB3 ALA 21 HB3 ALA 21 -11.575 3.901 2.093 169 H VAL 22 H VAL 22 -14.241 5.537 3.184 170 HA VAL 22 HA VAL 22 -16.669 4.022 3.097 171 HB VAL 22 HB VAL 22 -17.538 6.052 1.936 172 HG11 VAL 22 HG11 VAL 22 -15.961 6.670 4.447 173 HG12 VAL 22 HG12 VAL 22 -17.469 7.426 3.860 174 HG13 VAL 22 HG13 VAL 22 -17.473 5.749 4.397 175 HG21 VAL 22 HG21 VAL 22 -15.547 6.935 0.752 176 HG22 VAL 22 HG22 VAL 22 -16.120 8.121 1.912 177 HG23 VAL 22 HG23 VAL 22 -14.690 7.170 2.295 178 H ASP 23 H ASP 23 -14.367 5.093 0.554 179 HA ASP 23 HA ASP 23 -15.220 2.890 -1.191 180 HB2 ASP 23 HB2 ASP 23 -16.677 4.588 -1.935 181 HB3 ASP 23 HB3 ASP 23 -15.482 5.855 -1.751 182 H ALA 24 H ALA 24 -13.577 2.750 -3.051 183 HA ALA 24 HA ALA 24 -10.949 2.625 -1.938 184 HB1 ALA 24 HB1 ALA 24 -10.294 1.925 -4.206 185 HB2 ALA 24 HB2 ALA 24 -11.706 1.046 -3.597 186 HB3 ALA 24 HB3 ALA 24 -11.913 2.350 -4.810 187 H ALA 25 H ALA 25 -12.560 5.228 -3.836 188 HA ALA 25 HA ALA 25 -10.186 6.491 -4.708 189 HB1 ALA 25 HB1 ALA 25 -11.540 8.533 -4.906 190 HB2 ALA 25 HB2 ALA 25 -12.375 7.115 -5.564 191 HB3 ALA 25 HB3 ALA 25 -12.850 7.766 -3.987 192 H THR 26 H THR 26 -11.657 6.469 -1.475 193 HA THR 26 HA THR 26 -10.101 8.687 -0.440 194 HB THR 26 HB THR 26 -11.656 6.404 0.814 195 HG1 THR 26 HG1 THR 26 -12.891 8.005 -0.129 196 HG21 THR 26 HG21 THR 26 -9.968 6.925 2.474 197 HG22 THR 26 HG22 THR 26 -10.175 8.667 2.228 198 HG23 THR 26 HG23 THR 26 -11.473 7.699 2.967 199 H ALA 27 H ALA 27 -9.617 5.178 -0.778 200 HA ALA 27 HA ALA 27 -7.253 5.080 0.863 201 HB1 ALA 27 HB1 ALA 27 -8.789 3.163 0.470 202 HB2 ALA 27 HB2 ALA 27 -8.247 3.106 -1.229 203 HB3 ALA 27 HB3 ALA 27 -7.095 2.805 0.080 204 H GLU 28 H GLU 28 -7.948 5.671 -2.578 205 HA GLU 28 HA GLU 28 -5.378 5.352 -3.653 206 HB2 GLU 28 HB2 GLU 28 -7.536 5.644 -4.904 207 HB3 GLU 28 HB3 GLU 28 -7.491 7.370 -4.514 208 HG2 GLU 28 HG2 GLU 28 -5.334 7.584 -5.716 209 HG3 GLU 28 HG3 GLU 28 -5.358 5.856 -6.076 210 H LYS 29 H LYS 29 -6.726 8.035 -1.811 211 HA LYS 29 HA LYS 29 -4.764 10.035 -2.384 212 HB2 LYS 29 HB2 LYS 29 -6.391 9.652 0.165 213 HB3 LYS 29 HB3 LYS 29 -5.607 11.143 -0.335 214 HG2 LYS 29 HG2 LYS 29 -7.148 11.380 -2.219 215 HG3 LYS 29 HG3 LYS 29 -7.801 9.768 -1.929 216 HD2 LYS 29 HD2 LYS 29 -8.596 10.585 0.344 217 HD3 LYS 29 HD3 LYS 29 -8.191 12.231 -0.208 218 HE2 LYS 29 HE2 LYS 29 -9.693 11.902 -2.188 219 HE3 LYS 29 HE3 LYS 29 -10.033 10.265 -1.668 220 HZ1 LYS 29 HZ1 LYS 29 -11.012 11.321 0.419 221 HZ2 LYS 29 HZ2 LYS 29 -10.920 12.762 -0.388 222 HZ3 LYS 29 HZ3 LYS 29 -11.834 11.551 -0.956 223 H VAL 30 H VAL 30 -5.054 7.774 0.380 224 HA VAL 30 HA VAL 30 -2.497 8.432 1.461 225 HB VAL 30 HB VAL 30 -4.335 7.702 2.873 226 HG11 VAL 30 HG11 VAL 30 -4.772 5.257 3.170 227 HG12 VAL 30 HG12 VAL 30 -5.366 5.902 1.637 228 HG13 VAL 30 HG13 VAL 30 -3.859 4.946 1.695 229 HG21 VAL 30 HG21 VAL 30 -3.048 6.427 4.426 230 HG22 VAL 30 HG22 VAL 30 -1.947 5.857 3.155 231 HG23 VAL 30 HG23 VAL 30 -1.969 7.576 3.618 232 H PHE 31 H PHE 31 -3.555 6.040 -0.927 233 HA PHE 31 HA PHE 31 -1.495 4.177 -0.876 234 HB2 PHE 31 HB2 PHE 31 -3.492 4.147 -2.388 235 HB3 PHE 31 HB3 PHE 31 -2.827 5.484 -3.278 236 HD1 PHE 31 HD1 PHE 31 -0.580 5.175 -4.576 237 HD2 PHE 31 HD2 PHE 31 -3.014 1.928 -3.065 238 HE1 PHE 31 HE1 PHE 31 0.434 3.644 -6.210 239 HE2 PHE 31 HE2 PHE 31 -2.044 0.435 -4.774 240 HZ PHE 31 HZ PHE 31 -0.311 1.284 -6.344 241 H LYS 32 H LYS 32 -1.538 7.425 -2.504 242 HA LYS 32 HA LYS 32 1.211 7.085 -3.422 243 HB2 LYS 32 HB2 LYS 32 -0.385 8.406 -4.677 244 HB3 LYS 32 HB3 LYS 32 -0.662 9.483 -3.301 245 HG2 LYS 32 HG2 LYS 32 1.684 10.288 -3.430 246 HG3 LYS 32 HG3 LYS 32 1.994 9.160 -4.775 247 HD2 LYS 32 HD2 LYS 32 0.229 10.265 -6.092 248 HD3 LYS 32 HD3 LYS 32 -0.089 11.384 -4.749 249 HE2 LYS 32 HE2 LYS 32 2.031 12.452 -5.012 250 HE3 LYS 32 HE3 LYS 32 2.643 11.135 -6.040 251 HZ1 LYS 32 HZ1 LYS 32 0.427 12.925 -6.772 252 HZ2 LYS 32 HZ2 LYS 32 1.980 13.076 -7.319 253 HZ3 LYS 32 HZ3 LYS 32 1.090 11.750 -7.728 254 H GLN 33 H GLN 33 -0.315 9.182 -0.880 255 HA GLN 33 HA GLN 33 2.119 10.326 -0.084 256 HB2 GLN 33 HB2 GLN 33 0.044 11.328 0.474 257 HB3 GLN 33 HB3 GLN 33 -0.505 9.938 1.400 258 HG2 GLN 33 HG2 GLN 33 1.952 11.542 2.226 259 HG3 GLN 33 HG3 GLN 33 0.333 12.060 2.663 260 HE21 GLN 33 HE21 GLN 33 -0.198 9.157 4.892 261 HE22 GLN 33 HE22 GLN 33 -1.064 10.082 3.692 262 H TYR 34 H TYR 34 0.505 7.549 1.734 263 HA TYR 34 HA TYR 34 2.636 7.517 3.590 264 HB2 TYR 34 HB2 TYR 34 0.759 6.465 4.366 265 HB3 TYR 34 HB3 TYR 34 0.481 5.566 2.891 266 HD1 TYR 34 HD1 TYR 34 0.868 3.272 2.973 267 HD2 TYR 34 HD2 TYR 34 3.244 5.875 5.464 268 HE1 TYR 34 HE1 TYR 34 2.020 1.303 3.929 269 HE2 TYR 34 HE2 TYR 34 4.409 3.934 6.416 270 HH TYR 34 HH TYR 34 3.437 0.573 5.681 271 H ALA 35 H ALA 35 2.239 5.442 0.695 272 HA ALA 35 HA ALA 35 4.634 4.024 1.068 273 HB1 ALA 35 HB1 ALA 35 3.269 4.724 -1.562 274 HB2 ALA 35 HB2 ALA 35 4.352 3.355 -1.233 275 HB3 ALA 35 HB3 ALA 35 2.779 3.412 -0.452 276 H ASN 36 H ASN 36 4.098 7.061 -0.910 277 HA ASN 36 HA ASN 36 6.811 7.336 -1.638 278 HB2 ASN 36 HB2 ASN 36 4.996 8.620 -2.694 279 HB3 ASN 36 HB3 ASN 36 4.748 9.520 -1.182 280 HD21 ASN 36 HD21 ASN 36 8.318 10.035 -3.181 281 HD22 ASN 36 HD22 ASN 36 7.251 8.766 -3.693 282 H ASP 37 H ASP 37 5.168 8.336 1.345 283 HA ASP 37 HA ASP 37 7.294 9.934 2.420 284 HB2 ASP 37 HB2 ASP 37 4.864 10.095 2.965 285 HB3 ASP 37 HB3 ASP 37 4.948 8.519 3.773 286 H ASN 38 H ASN 38 6.545 6.541 2.358 287 HA ASN 38 HA ASN 38 8.423 5.693 4.415 288 HB2 ASN 38 HB2 ASN 38 6.178 4.686 3.919 289 HB3 ASN 38 HB3 ASN 38 6.836 4.081 2.396 290 HD21 ASN 38 HD21 ASN 38 6.944 1.157 4.472 291 HD22 ASN 38 HD22 ASN 38 5.810 2.193 3.637 292 H GLY 39 H GLY 39 9.182 7.118 1.686 293 HA2 GLY 39 HA2 GLY 39 10.950 7.150 0.245 294 HA3 GLY 39 HA3 GLY 39 11.780 6.104 1.414 295 H VAL 40 H VAL 40 8.891 5.230 -0.543 296 HA VAL 40 HA VAL 40 10.190 2.801 -1.457 297 HB VAL 40 HB VAL 40 8.023 2.385 -2.518 298 HG11 VAL 40 HG11 VAL 40 8.153 1.751 -0.244 299 HG12 VAL 40 HG12 VAL 40 7.876 3.392 0.346 300 HG13 VAL 40 HG13 VAL 40 6.581 2.537 -0.489 301 HG21 VAL 40 HG21 VAL 40 7.523 5.320 -1.964 302 HG22 VAL 40 HG22 VAL 40 7.260 4.390 -3.435 303 HG23 VAL 40 HG23 VAL 40 6.176 4.196 -2.075 304 H ASP 41 H ASP 41 10.784 2.207 -3.490 305 HA ASP 41 HA ASP 41 10.373 3.994 -5.776 306 HB2 ASP 41 HB2 ASP 41 12.634 4.524 -4.662 307 HB3 ASP 41 HB3 ASP 41 13.171 2.947 -5.205 308 H GLY 42 H GLY 42 8.873 2.304 -6.698 309 HA2 GLY 42 HA2 GLY 42 10.123 0.066 -7.814 310 HA3 GLY 42 HA3 GLY 42 9.500 -0.476 -6.251 311 H GLU 43 H GLU 43 8.547 -1.856 -7.950 312 HA GLU 43 HA GLU 43 6.139 -0.980 -9.332 313 HB2 GLU 43 HB2 GLU 43 6.131 -3.206 -10.304 314 HB3 GLU 43 HB3 GLU 43 7.653 -2.385 -10.591 315 HG2 GLU 43 HG2 GLU 43 8.889 -3.890 -9.372 316 HG3 GLU 43 HG3 GLU 43 7.616 -4.184 -8.193 317 H TRP 44 H TRP 44 4.092 -1.962 -8.998 318 HA TRP 44 HA TRP 44 3.667 -2.967 -6.224 319 HB2 TRP 44 HB2 TRP 44 1.917 -1.388 -8.139 320 HB3 TRP 44 HB3 TRP 44 1.376 -2.038 -6.602 321 HD1 TRP 44 HD1 TRP 44 4.463 0.184 -7.597 322 HE1 TRP 44 HE1 TRP 44 4.914 1.730 -5.714 323 HE3 TRP 44 HE3 TRP 44 0.620 -1.118 -4.485 324 HZ2 TRP 44 HZ2 TRP 44 3.154 3.060 -3.596 325 HZ3 TRP 44 HZ3 TRP 44 0.080 0.279 -2.515 326 HH2 TRP 44 HH2 TRP 44 1.296 2.417 -2.123 327 H THR 45 H THR 45 2.395 -4.763 -5.840 328 HA THR 45 HA THR 45 1.107 -6.216 -8.074 329 HB THR 45 HB THR 45 1.828 -8.320 -6.817 330 HG1 THR 45 HG1 THR 45 3.971 -6.700 -5.941 331 HG21 THR 45 HG21 THR 45 2.766 -7.720 -9.017 332 HG22 THR 45 HG22 THR 45 4.026 -6.755 -8.222 333 HG23 THR 45 HG23 THR 45 3.967 -8.506 -7.982 334 H TYR 46 H TYR 46 -0.692 -7.690 -7.120 335 HA TYR 46 HA TYR 46 -1.665 -6.646 -4.521 336 HB2 TYR 46 HB2 TYR 46 -2.600 -5.220 -6.268 337 HB3 TYR 46 HB3 TYR 46 -3.128 -6.645 -7.163 338 HD1 TYR 46 HD1 TYR 46 -3.491 -5.236 -3.670 339 HD2 TYR 46 HD2 TYR 46 -5.402 -7.160 -7.035 340 HE1 TYR 46 HE1 TYR 46 -5.673 -5.172 -2.487 341 HE2 TYR 46 HE2 TYR 46 -7.590 -6.982 -5.896 342 HH TYR 46 HH TYR 46 -8.631 -6.512 -3.811 343 H ASP 47 H ASP 47 -2.996 -7.950 -3.376 344 HA ASP 47 HA ASP 47 -3.679 -10.662 -4.384 345 HB2 ASP 47 HB2 ASP 47 -2.152 -9.855 -1.929 346 HB3 ASP 47 HB3 ASP 47 -3.390 -11.093 -1.720 347 H ASP 48 H ASP 48 -5.878 -10.193 -4.771 348 HA ASP 48 HA ASP 48 -7.433 -8.502 -3.102 349 HB2 ASP 48 HB2 ASP 48 -7.906 -9.243 -5.507 350 HB3 ASP 48 HB3 ASP 48 -8.580 -10.717 -4.814 351 H ALA 49 H ALA 49 -6.471 -11.803 -2.575 352 HA ALA 49 HA ALA 49 -8.583 -12.812 -1.056 353 HB1 ALA 49 HB1 ALA 49 -5.588 -13.258 -0.687 354 HB2 ALA 49 HB2 ALA 49 -6.877 -14.287 -0.034 355 HB3 ALA 49 HB3 ALA 49 -6.664 -14.158 -1.782 356 H THR 50 H THR 50 -6.020 -10.604 -0.084 357 HA THR 50 HA THR 50 -7.380 -10.093 2.502 358 HB THR 50 HB THR 50 -5.736 -11.430 3.271 359 HG1 THR 50 HG1 THR 50 -5.518 -9.317 4.218 360 HG21 THR 50 HG21 THR 50 -3.855 -10.439 1.124 361 HG22 THR 50 HG22 THR 50 -3.306 -11.366 2.546 362 HG23 THR 50 HG23 THR 50 -4.458 -12.078 1.428 363 H LYS 51 H LYS 51 -6.427 -8.772 -0.496 364 HA LYS 51 HA LYS 51 -6.537 -7.022 -1.461 365 HB2 LYS 51 HB2 LYS 51 -7.873 -5.948 1.023 366 HB3 LYS 51 HB3 LYS 51 -7.722 -5.080 -0.526 367 HG2 LYS 51 HG2 LYS 51 -8.821 -7.244 -1.530 368 HG3 LYS 51 HG3 LYS 51 -9.250 -7.617 0.140 369 HD2 LYS 51 HD2 LYS 51 -10.506 -5.481 0.297 370 HD3 LYS 51 HD3 LYS 51 -10.028 -5.093 -1.379 371 HE2 LYS 51 HE2 LYS 51 -11.106 -7.150 -2.188 372 HE3 LYS 51 HE3 LYS 51 -11.579 -7.569 -0.536 373 HZ1 LYS 51 HZ1 LYS 51 -12.936 -5.550 -0.511 374 HZ2 LYS 51 HZ2 LYS 51 -12.551 -5.236 -2.093 375 HZ3 LYS 51 HZ3 LYS 51 -13.390 -6.573 -1.696 376 H THR 52 H THR 52 -4.303 -8.039 -0.258 377 HA THR 52 HA THR 52 -2.721 -5.919 0.829 378 HB THR 52 HB THR 52 -2.025 -8.769 0.080 379 HG1 THR 52 HG1 THR 52 -2.372 -9.044 2.338 380 HG21 THR 52 HG21 THR 52 -0.630 -6.759 1.901 381 HG22 THR 52 HG22 THR 52 -0.187 -8.475 1.713 382 HG23 THR 52 HG23 THR 52 -0.000 -7.364 0.356 383 H PHE 53 H PHE 53 -1.772 -4.458 -0.325 384 HA PHE 53 HA PHE 53 -0.943 -4.858 -3.142 385 HB2 PHE 53 HB2 PHE 53 -1.169 -2.456 -1.266 386 HB3 PHE 53 HB3 PHE 53 -0.347 -2.378 -2.810 387 HD1 PHE 53 HD1 PHE 53 -1.584 -2.609 -4.952 388 HD2 PHE 53 HD2 PHE 53 -3.617 -2.464 -1.142 389 HE1 PHE 53 HE1 PHE 53 -3.686 -1.973 -6.093 390 HE2 PHE 53 HE2 PHE 53 -5.714 -1.815 -2.301 391 HZ PHE 53 HZ PHE 53 -5.747 -1.551 -4.769 392 H THR 54 H THR 54 1.257 -5.413 -3.409 393 HA THR 54 HA THR 54 3.080 -4.878 -1.110 394 HB THR 54 HB THR 54 3.105 -7.272 -2.957 395 HG1 THR 54 HG1 THR 54 2.235 -8.352 -1.207 396 HG21 THR 54 HG21 THR 54 4.560 -6.826 -0.310 397 HG22 THR 54 HG22 THR 54 4.699 -8.224 -1.411 398 HG23 THR 54 HG23 THR 54 5.329 -6.657 -1.896 399 H VAL 55 H VAL 55 5.097 -4.145 -1.539 400 HA VAL 55 HA VAL 55 5.889 -3.501 -4.309 401 HB VAL 55 HB VAL 55 5.633 -1.699 -1.900 402 HG11 VAL 55 HG11 VAL 55 7.433 -1.146 -4.305 403 HG12 VAL 55 HG12 VAL 55 6.971 0.041 -3.067 404 HG13 VAL 55 HG13 VAL 55 7.957 -1.328 -2.614 405 HG21 VAL 55 HG21 VAL 55 5.036 -1.220 -4.839 406 HG22 VAL 55 HG22 VAL 55 3.831 -1.862 -3.697 407 HG23 VAL 55 HG23 VAL 55 4.486 -0.258 -3.434 408 H THR 56 H THR 56 8.042 -3.796 -4.706 409 HA THR 56 HA THR 56 9.811 -4.500 -2.456 410 HB THR 56 HB THR 56 9.585 -5.945 -5.128 411 HG1 THR 56 HG1 THR 56 9.126 -7.723 -3.644 412 HG21 THR 56 HG21 THR 56 11.939 -5.797 -4.287 413 HG22 THR 56 HG22 THR 56 11.405 -6.469 -2.729 414 HG23 THR 56 HG23 THR 56 11.321 -7.441 -4.218 415 H GLU 57 H GLU 57 11.631 -3.365 -2.485 416 HA GLU 57 HA GLU 57 12.175 -1.448 -4.712 417 HB2 GLU 57 HB2 GLU 57 12.224 -0.731 -2.248 418 HB3 GLU 57 HB3 GLU 57 13.610 -1.802 -2.026 419 HG2 GLU 57 HG2 GLU 57 14.744 -0.470 -3.908 420 HG3 GLU 57 HG3 GLU 57 13.409 0.676 -3.787 Start of MODEL 10 1 H1 MET 1 H MET 1 -15.943 1.614 1.853 2 HA MET 1 HA MET 1 -16.667 -0.333 0.739 3 HB2 MET 1 HB2 MET 1 -15.316 1.267 -0.638 4 HB3 MET 1 HB3 MET 1 -13.904 0.225 -0.389 5 HG2 MET 1 HG2 MET 1 -15.190 -1.670 -1.402 6 HG3 MET 1 HG3 MET 1 -16.532 -0.559 -1.703 7 HE1 MET 1 HE1 MET 1 -15.245 1.693 -4.547 8 HE2 MET 1 HE2 MET 1 -16.683 1.026 -3.728 9 HE3 MET 1 HE3 MET 1 -15.503 1.989 -2.813 10 H GLY 2 H GLY 2 -13.391 -0.888 2.279 11 HA2 GLY 2 HA2 GLY 2 -14.026 -3.475 3.032 12 HA3 GLY 2 HA3 GLY 2 -13.101 -3.549 1.514 13 H THR 3 H THR 3 -11.697 -4.640 3.265 14 HA THR 3 HA THR 3 -9.923 -2.700 4.633 15 HB THR 3 HB THR 3 -10.696 -4.120 6.258 16 HG1 THR 3 HG1 THR 3 -8.864 -4.716 6.892 17 HG21 THR 3 HG21 THR 3 -11.954 -5.790 4.978 18 HG22 THR 3 HG22 THR 3 -10.435 -6.556 4.450 19 HG23 THR 3 HG23 THR 3 -10.907 -6.562 6.162 20 H TYR 4 H TYR 4 -8.178 -2.189 3.502 21 HA TYR 4 HA TYR 4 -7.068 -4.026 1.454 22 HB2 TYR 4 HB2 TYR 4 -6.899 -1.012 1.595 23 HB3 TYR 4 HB3 TYR 4 -6.276 -2.042 0.311 24 HD1 TYR 4 HD1 TYR 4 -7.720 -2.678 -1.539 25 HD2 TYR 4 HD2 TYR 4 -9.405 -0.809 1.960 26 HE1 TYR 4 HE1 TYR 4 -9.917 -2.515 -2.674 27 HE2 TYR 4 HE2 TYR 4 -11.586 -0.679 0.847 28 HH TYR 4 HH TYR 4 -12.112 -1.632 -2.535 29 H LYS 5 H LYS 5 -4.922 -4.690 1.674 30 HA LYS 5 HA LYS 5 -3.582 -3.505 4.099 31 HB2 LYS 5 HB2 LYS 5 -3.603 -6.232 2.885 32 HB3 LYS 5 HB3 LYS 5 -2.081 -5.664 3.600 33 HG2 LYS 5 HG2 LYS 5 -3.404 -4.993 5.659 34 HG3 LYS 5 HG3 LYS 5 -4.814 -5.805 4.976 35 HD2 LYS 5 HD2 LYS 5 -3.946 -7.905 5.378 36 HD3 LYS 5 HD3 LYS 5 -2.270 -7.386 5.089 37 HE2 LYS 5 HE2 LYS 5 -2.277 -6.147 7.225 38 HE3 LYS 5 HE3 LYS 5 -3.912 -6.755 7.573 39 HZ1 LYS 5 HZ1 LYS 5 -2.031 -8.004 8.574 40 HZ2 LYS 5 HZ2 LYS 5 -3.050 -8.944 7.673 41 HZ3 LYS 5 HZ3 LYS 5 -1.578 -8.499 7.078 42 H LEU 6 H LEU 6 -1.718 -2.442 4.032 43 HA LEU 6 HA LEU 6 -0.435 -2.136 1.353 44 HB2 LEU 6 HB2 LEU 6 -1.844 -0.186 2.788 45 HB3 LEU 6 HB3 LEU 6 -0.170 0.189 3.177 46 HG LEU 6 HG LEU 6 -1.260 -0.257 0.390 47 HD11 LEU 6 HD11 LEU 6 -2.290 1.731 1.304 48 HD12 LEU 6 HD12 LEU 6 -0.737 2.354 1.872 49 HD13 LEU 6 HD13 LEU 6 -1.061 2.208 0.130 50 HD21 LEU 6 HD21 LEU 6 1.424 0.855 1.308 51 HD22 LEU 6 HD22 LEU 6 1.153 -0.675 0.466 52 HD23 LEU 6 HD23 LEU 6 0.851 0.840 -0.371 53 H ILE 7 H ILE 7 1.414 -3.245 1.450 54 HA ILE 7 HA ILE 7 3.290 -2.767 3.664 55 HB ILE 7 HB ILE 7 2.462 -4.956 4.012 56 HG12 ILE 7 HG12 ILE 7 5.085 -5.352 2.503 57 HG13 ILE 7 HG13 ILE 7 4.950 -4.680 4.127 58 HG21 ILE 7 HG21 ILE 7 2.908 -5.568 1.071 59 HG22 ILE 7 HG22 ILE 7 2.377 -6.734 2.289 60 HG23 ILE 7 HG23 ILE 7 1.339 -5.381 1.873 61 HD11 ILE 7 HD11 ILE 7 4.266 -7.507 3.253 62 HD12 ILE 7 HD12 ILE 7 5.511 -6.970 4.381 63 HD13 ILE 7 HD13 ILE 7 3.806 -6.843 4.840 64 H LEU 8 H LEU 8 5.327 -2.204 3.199 65 HA LEU 8 HA LEU 8 6.126 -2.119 0.319 66 HB2 LEU 8 HB2 LEU 8 6.780 -0.104 2.510 67 HB3 LEU 8 HB3 LEU 8 7.425 -0.112 0.893 68 HG LEU 8 HG LEU 8 5.794 1.585 0.975 69 HD11 LEU 8 HD11 LEU 8 4.430 -0.749 -0.440 70 HD12 LEU 8 HD12 LEU 8 4.083 0.956 -0.700 71 HD13 LEU 8 HD13 LEU 8 5.655 0.310 -1.149 72 HD21 LEU 8 HD21 LEU 8 4.586 0.684 2.997 73 HD22 LEU 8 HD22 LEU 8 3.632 1.533 1.766 74 HD23 LEU 8 HD23 LEU 8 3.576 -0.239 1.863 75 H ASN 9 H ASN 9 8.221 -2.933 -0.137 76 HA ASN 9 HA ASN 9 9.787 -3.812 2.248 77 HB2 ASN 9 HB2 ASN 9 9.471 -5.401 -0.311 78 HB3 ASN 9 HB3 ASN 9 10.493 -5.792 1.063 79 HD21 ASN 9 HD21 ASN 9 6.667 -6.960 1.107 80 HD22 ASN 9 HD22 ASN 9 7.365 -6.090 -0.254 81 H GLY 10 H GLY 10 11.191 -1.997 2.164 82 HA2 GLY 10 HA2 GLY 10 12.801 -1.648 -0.274 83 HA3 GLY 10 HA3 GLY 10 12.615 -0.516 1.064 84 H LYS 11 H LYS 11 15.111 -0.903 0.322 85 HA LYS 11 HA LYS 11 16.631 -3.077 1.274 86 HB2 LYS 11 HB2 LYS 11 17.609 -1.370 -0.098 87 HB3 LYS 11 HB3 LYS 11 17.214 -0.090 1.046 88 HG2 LYS 11 HG2 LYS 11 18.937 -0.959 2.612 89 HG3 LYS 11 HG3 LYS 11 19.294 -2.270 1.467 90 HD2 LYS 11 HD2 LYS 11 19.755 -0.469 -0.262 91 HD3 LYS 11 HD3 LYS 11 19.638 0.727 1.030 92 HE2 LYS 11 HE2 LYS 11 21.546 -0.303 2.207 93 HE3 LYS 11 HE3 LYS 11 21.560 -1.635 1.038 94 HZ1 LYS 11 HZ1 LYS 11 23.226 -0.210 0.318 95 HZ2 LYS 11 HZ2 LYS 11 22.005 0.067 -0.692 96 HZ3 LYS 11 HZ3 LYS 11 22.322 1.163 0.519 97 H THR 12 H THR 12 15.738 -0.115 2.992 98 HA THR 12 HA THR 12 16.246 -1.464 5.594 99 HB THR 12 HB THR 12 18.077 0.141 4.960 100 HG1 THR 12 HG1 THR 12 17.692 1.356 7.082 101 HG21 THR 12 HG21 THR 12 16.724 1.916 3.868 102 HG22 THR 12 HG22 THR 12 16.004 2.315 5.452 103 HG23 THR 12 HG23 THR 12 17.736 2.531 5.179 104 H LEU 13 H LEU 13 14.261 0.698 3.641 105 HA LEU 13 HA LEU 13 12.464 1.419 5.777 106 HB2 LEU 13 HB2 LEU 13 12.225 1.822 2.771 107 HB3 LEU 13 HB3 LEU 13 11.377 2.696 4.040 108 HG LEU 13 HG LEU 13 14.399 2.784 3.597 109 HD11 LEU 13 HD11 LEU 13 12.453 4.955 2.849 110 HD12 LEU 13 HD12 LEU 13 14.192 4.884 2.545 111 HD13 LEU 13 HD13 LEU 13 13.104 3.771 1.699 112 HD21 LEU 13 HD21 LEU 13 13.753 3.335 5.929 113 HD22 LEU 13 HD22 LEU 13 14.347 4.766 5.068 114 HD23 LEU 13 HD23 LEU 13 12.607 4.540 5.314 115 H LYS 14 H LYS 14 10.885 0.029 6.498 116 HA LYS 14 HA LYS 14 9.288 -1.422 4.485 117 HB2 LYS 14 HB2 LYS 14 10.540 -2.835 6.896 118 HB3 LYS 14 HB3 LYS 14 9.281 -3.482 5.848 119 HG2 LYS 14 HG2 LYS 14 10.947 -3.141 3.903 120 HG3 LYS 14 HG3 LYS 14 12.181 -2.922 5.156 121 HD2 LYS 14 HD2 LYS 14 11.545 -5.150 6.107 122 HD3 LYS 14 HD3 LYS 14 10.349 -5.346 4.813 123 HE2 LYS 14 HE2 LYS 14 12.073 -5.298 3.109 124 HE3 LYS 14 HE3 LYS 14 13.322 -4.898 4.293 125 HZ1 LYS 14 HZ1 LYS 14 13.193 -7.262 3.632 126 HZ2 LYS 14 HZ2 LYS 14 13.114 -7.044 5.259 127 HZ3 LYS 14 HZ3 LYS 14 11.749 -7.390 4.438 128 H GLY 15 H GLY 15 7.186 -2.082 5.366 129 HA2 GLY 15 HA2 GLY 15 6.316 -1.512 7.983 130 HA3 GLY 15 HA3 GLY 15 5.929 -0.122 6.935 131 H GLU 16 H GLU 16 4.030 -2.095 8.149 132 HA GLU 16 HA GLU 16 2.627 -2.887 5.698 133 HB2 GLU 16 HB2 GLU 16 2.162 -5.101 6.499 134 HB3 GLU 16 HB3 GLU 16 3.877 -4.864 6.241 135 HG2 GLU 16 HG2 GLU 16 4.298 -4.761 8.645 136 HG3 GLU 16 HG3 GLU 16 2.557 -4.847 8.979 137 H THR 17 H THR 17 0.538 -2.257 5.843 138 HA THR 17 HA THR 17 -0.672 -1.957 8.565 139 HB THR 17 HB THR 17 0.505 0.140 7.957 140 HG1 THR 17 HG1 THR 17 -1.012 1.409 8.695 141 HG21 THR 17 HG21 THR 17 0.217 0.070 5.520 142 HG22 THR 17 HG22 THR 17 -1.530 0.317 5.682 143 HG23 THR 17 HG23 THR 17 -0.358 1.567 6.163 144 H THR 18 H THR 18 -3.036 -1.007 8.165 145 HA THR 18 HA THR 18 -4.370 -2.448 5.957 146 HB THR 18 HB THR 18 -4.441 -3.933 7.855 147 HG1 THR 18 HG1 THR 18 -7.026 -2.799 7.674 148 HG21 THR 18 HG21 THR 18 -5.673 -3.439 9.921 149 HG22 THR 18 HG22 THR 18 -4.220 -2.437 9.775 150 HG23 THR 18 HG23 THR 18 -5.823 -1.742 9.446 151 H THR 19 H THR 19 -6.032 -1.300 5.093 152 HA THR 19 HA THR 19 -6.663 1.387 6.192 153 HB THR 19 HB THR 19 -6.466 0.590 3.283 154 HG1 THR 19 HG1 THR 19 -4.376 1.494 4.960 155 HG21 THR 19 HG21 THR 19 -6.405 3.283 4.685 156 HG22 THR 19 HG22 THR 19 -6.120 3.031 2.948 157 HG23 THR 19 HG23 THR 19 -7.695 2.643 3.654 158 H GLU 20 H GLU 20 -8.778 1.706 6.507 159 HA GLU 20 HA GLU 20 -10.820 0.404 4.821 160 HB2 GLU 20 HB2 GLU 20 -11.094 -0.812 6.864 161 HB3 GLU 20 HB3 GLU 20 -10.848 0.637 7.866 162 HG2 GLU 20 HG2 GLU 20 -12.939 1.604 7.189 163 HG3 GLU 20 HG3 GLU 20 -13.099 0.497 5.827 164 H ALA 21 H ALA 21 -12.242 1.974 4.069 165 HA ALA 21 HA ALA 21 -12.370 4.618 5.273 166 HB1 ALA 21 HB1 ALA 21 -11.790 5.777 3.169 167 HB2 ALA 21 HB2 ALA 21 -10.424 4.789 3.702 168 HB3 ALA 21 HB3 ALA 21 -11.458 4.219 2.373 169 H VAL 22 H VAL 22 -13.964 5.869 3.545 170 HA VAL 22 HA VAL 22 -16.387 4.276 3.577 171 HB VAL 22 HB VAL 22 -17.407 6.306 2.545 172 HG11 VAL 22 HG11 VAL 22 -15.749 6.703 5.075 173 HG12 VAL 22 HG12 VAL 22 -17.116 7.729 4.562 174 HG13 VAL 22 HG13 VAL 22 -17.371 6.036 4.951 175 HG21 VAL 22 HG21 VAL 22 -15.606 7.310 1.274 176 HG22 VAL 22 HG22 VAL 22 -16.062 8.421 2.552 177 HG23 VAL 22 HG23 VAL 22 -14.575 7.470 2.709 178 H ASP 23 H ASP 23 -14.285 5.572 0.923 179 HA ASP 23 HA ASP 23 -15.296 3.441 -0.891 180 HB2 ASP 23 HB2 ASP 23 -16.477 5.636 -1.236 181 HB3 ASP 23 HB3 ASP 23 -14.900 6.395 -1.511 182 H ALA 24 H ALA 24 -13.674 3.047 -2.706 183 HA ALA 24 HA ALA 24 -10.997 3.091 -1.663 184 HB1 ALA 24 HB1 ALA 24 -12.066 2.266 -4.382 185 HB2 ALA 24 HB2 ALA 24 -11.762 1.228 -2.991 186 HB3 ALA 24 HB3 ALA 24 -10.399 2.028 -3.813 187 H ALA 25 H ALA 25 -12.823 5.416 -3.592 188 HA ALA 25 HA ALA 25 -10.586 6.658 -4.889 189 HB1 ALA 25 HB1 ALA 25 -12.115 8.642 -5.034 190 HB2 ALA 25 HB2 ALA 25 -12.833 7.134 -5.629 191 HB3 ALA 25 HB3 ALA 25 -13.292 7.784 -4.029 192 H THR 26 H THR 26 -12.074 7.080 -1.642 193 HA THR 26 HA THR 26 -10.581 9.408 -0.903 194 HB THR 26 HB THR 26 -11.680 7.222 0.929 195 HG1 THR 26 HG1 THR 26 -13.487 9.021 0.783 196 HG21 THR 26 HG21 THR 26 -10.415 8.999 2.086 197 HG22 THR 26 HG22 THR 26 -11.429 10.239 1.318 198 HG23 THR 26 HG23 THR 26 -12.132 9.089 2.480 199 H ALA 27 H ALA 27 -9.959 5.948 -0.857 200 HA ALA 27 HA ALA 27 -7.619 5.999 0.817 201 HB1 ALA 27 HB1 ALA 27 -9.248 4.128 0.724 202 HB2 ALA 27 HB2 ALA 27 -8.757 3.825 -0.961 203 HB3 ALA 27 HB3 ALA 27 -7.602 3.608 0.371 204 H GLU 28 H GLU 28 -8.201 6.242 -2.694 205 HA GLU 28 HA GLU 28 -5.724 5.429 -3.682 206 HB2 GLU 28 HB2 GLU 28 -7.807 6.118 -4.983 207 HB3 GLU 28 HB3 GLU 28 -7.338 7.796 -4.700 208 HG2 GLU 28 HG2 GLU 28 -5.101 7.216 -5.824 209 HG3 GLU 28 HG3 GLU 28 -5.788 5.652 -6.247 210 H LYS 29 H LYS 29 -6.574 8.436 -2.104 211 HA LYS 29 HA LYS 29 -4.176 9.906 -2.788 212 HB2 LYS 29 HB2 LYS 29 -6.182 10.209 -0.514 213 HB3 LYS 29 HB3 LYS 29 -4.867 11.363 -0.826 214 HG2 LYS 29 HG2 LYS 29 -5.723 11.868 -3.028 215 HG3 LYS 29 HG3 LYS 29 -6.952 10.598 -2.924 216 HD2 LYS 29 HD2 LYS 29 -8.138 11.747 -1.194 217 HD3 LYS 29 HD3 LYS 29 -6.871 13.006 -1.071 218 HE2 LYS 29 HE2 LYS 29 -7.303 13.722 -3.361 219 HE3 LYS 29 HE3 LYS 29 -8.417 12.377 -3.623 220 HZ1 LYS 29 HZ1 LYS 29 -9.882 13.340 -1.967 221 HZ2 LYS 29 HZ2 LYS 29 -8.866 14.636 -1.782 222 HZ3 LYS 29 HZ3 LYS 29 -9.626 14.377 -3.203 223 H VAL 30 H VAL 30 -5.124 8.119 0.182 224 HA VAL 30 HA VAL 30 -2.571 8.430 1.376 225 HB VAL 30 HB VAL 30 -4.897 7.831 2.436 226 HG11 VAL 30 HG11 VAL 30 -5.007 5.501 3.245 227 HG12 VAL 30 HG12 VAL 30 -5.230 5.585 1.511 228 HG13 VAL 30 HG13 VAL 30 -3.670 5.049 2.178 229 HG21 VAL 30 HG21 VAL 30 -3.754 7.184 4.459 230 HG22 VAL 30 HG22 VAL 30 -2.283 6.750 3.557 231 HG23 VAL 30 HG23 VAL 30 -2.839 8.438 3.635 232 H PHE 31 H PHE 31 -3.849 6.025 -0.885 233 HA PHE 31 HA PHE 31 -1.959 3.980 -0.647 234 HB2 PHE 31 HB2 PHE 31 -4.041 4.033 -2.030 235 HB3 PHE 31 HB3 PHE 31 -3.282 5.146 -3.110 236 HD1 PHE 31 HD1 PHE 31 -0.977 4.228 -4.306 237 HD2 PHE 31 HD2 PHE 31 -4.295 1.907 -2.810 238 HE1 PHE 31 HE1 PHE 31 -0.560 2.491 -6.011 239 HE2 PHE 31 HE2 PHE 31 -3.860 0.189 -4.505 240 HZ PHE 31 HZ PHE 31 -1.999 0.468 -6.127 241 H LYS 32 H LYS 32 -1.758 7.054 -2.568 242 HA LYS 32 HA LYS 32 0.936 6.401 -3.478 243 HB2 LYS 32 HB2 LYS 32 -0.597 7.778 -4.833 244 HB3 LYS 32 HB3 LYS 32 -0.643 9.011 -3.567 245 HG2 LYS 32 HG2 LYS 32 1.754 9.471 -3.872 246 HG3 LYS 32 HG3 LYS 32 1.888 8.156 -5.056 247 HD2 LYS 32 HD2 LYS 32 0.407 9.341 -6.605 248 HD3 LYS 32 HD3 LYS 32 0.093 10.593 -5.389 249 HE2 LYS 32 HE2 LYS 32 2.509 11.190 -5.382 250 HE3 LYS 32 HE3 LYS 32 2.788 10.010 -6.668 251 HZ1 LYS 32 HZ1 LYS 32 1.015 12.368 -6.862 252 HZ2 LYS 32 HZ2 LYS 32 2.500 12.256 -7.541 253 HZ3 LYS 32 HZ3 LYS 32 1.272 11.284 -8.065 254 H GLN 33 H GLN 33 -0.417 8.750 -1.068 255 HA GLN 33 HA GLN 33 2.085 9.791 -0.302 256 HB2 GLN 33 HB2 GLN 33 0.043 10.910 0.228 257 HB3 GLN 33 HB3 GLN 33 -0.541 9.578 1.211 258 HG2 GLN 33 HG2 GLN 33 2.052 11.011 1.941 259 HG3 GLN 33 HG3 GLN 33 0.499 11.730 2.329 260 HE21 GLN 33 HE21 GLN 33 -0.392 9.106 4.747 261 HE22 GLN 33 HE22 GLN 33 -1.115 9.958 3.419 262 H TYR 34 H TYR 34 0.278 7.156 1.457 263 HA TYR 34 HA TYR 34 2.135 6.848 3.502 264 HB2 TYR 34 HB2 TYR 34 -0.075 5.870 3.558 265 HB3 TYR 34 HB3 TYR 34 0.282 4.851 2.163 266 HD1 TYR 34 HD1 TYR 34 1.321 2.774 2.382 267 HD2 TYR 34 HD2 TYR 34 1.162 5.432 5.741 268 HE1 TYR 34 HE1 TYR 34 2.233 0.964 3.801 269 HE2 TYR 34 HE2 TYR 34 2.166 3.652 7.199 270 HH TYR 34 HH TYR 34 2.862 0.345 5.964 271 H ALA 35 H ALA 35 2.190 5.368 0.256 272 HA ALA 35 HA ALA 35 4.496 3.722 0.842 273 HB1 ALA 35 HB1 ALA 35 3.243 4.546 -1.800 274 HB2 ALA 35 HB2 ALA 35 4.391 3.211 -1.526 275 HB3 ALA 35 HB3 ALA 35 2.782 3.129 -0.806 276 H ASN 36 H ASN 36 4.004 6.820 -0.987 277 HA ASN 36 HA ASN 36 6.747 7.165 -1.671 278 HB2 ASN 36 HB2 ASN 36 5.006 8.291 -2.782 279 HB3 ASN 36 HB3 ASN 36 4.443 9.070 -1.290 280 HD21 ASN 36 HD21 ASN 36 7.893 10.622 -2.973 281 HD22 ASN 36 HD22 ASN 36 7.677 8.899 -3.111 282 H ASP 37 H ASP 37 4.940 8.074 1.268 283 HA ASP 37 HA ASP 37 6.987 9.615 2.543 284 HB2 ASP 37 HB2 ASP 37 4.558 9.670 3.093 285 HB3 ASP 37 HB3 ASP 37 4.673 8.039 3.749 286 H ASN 38 H ASN 38 6.364 6.201 2.131 287 HA ASN 38 HA ASN 38 8.140 5.225 4.247 288 HB2 ASN 38 HB2 ASN 38 6.178 4.080 2.406 289 HB3 ASN 38 HB3 ASN 38 7.682 3.218 2.265 290 HD21 ASN 38 HD21 ASN 38 5.258 2.176 5.184 291 HD22 ASN 38 HD22 ASN 38 4.801 3.372 3.976 292 H GLY 39 H GLY 39 8.623 6.718 1.208 293 HA2 GLY 39 HA2 GLY 39 10.562 7.168 0.078 294 HA3 GLY 39 HA3 GLY 39 11.444 6.116 1.174 295 H VAL 40 H VAL 40 8.634 4.955 -0.737 296 HA VAL 40 HA VAL 40 10.394 2.950 -1.854 297 HB VAL 40 HB VAL 40 8.499 1.846 -2.635 298 HG11 VAL 40 HG11 VAL 40 8.941 2.013 -0.126 299 HG12 VAL 40 HG12 VAL 40 7.565 3.140 -0.070 300 HG13 VAL 40 HG13 VAL 40 7.345 1.483 -0.658 301 HG21 VAL 40 HG21 VAL 40 6.820 4.341 -2.158 302 HG22 VAL 40 HG22 VAL 40 7.171 3.583 -3.714 303 HG23 VAL 40 HG23 VAL 40 6.203 2.701 -2.542 304 H ASP 41 H ASP 41 10.965 2.482 -3.835 305 HA ASP 41 HA ASP 41 10.076 4.020 -6.134 306 HB2 ASP 41 HB2 ASP 41 12.081 5.291 -5.411 307 HB3 ASP 41 HB3 ASP 41 13.051 3.807 -5.508 308 H GLY 42 H GLY 42 8.974 1.779 -5.950 309 HA2 GLY 42 HA2 GLY 42 10.615 -0.212 -7.411 310 HA3 GLY 42 HA3 GLY 42 9.879 -0.695 -5.879 311 H GLU 43 H GLU 43 9.031 -2.266 -7.580 312 HA GLU 43 HA GLU 43 6.748 -1.279 -9.150 313 HB2 GLU 43 HB2 GLU 43 6.655 -3.463 -10.158 314 HB3 GLU 43 HB3 GLU 43 8.237 -2.721 -10.361 315 HG2 GLU 43 HG2 GLU 43 9.291 -4.244 -8.878 316 HG3 GLU 43 HG3 GLU 43 7.761 -4.728 -8.127 317 H TRP 44 H TRP 44 4.665 -2.043 -8.894 318 HA TRP 44 HA TRP 44 4.017 -3.040 -6.173 319 HB2 TRP 44 HB2 TRP 44 2.531 -1.374 -8.237 320 HB3 TRP 44 HB3 TRP 44 1.847 -1.893 -6.715 321 HD1 TRP 44 HD1 TRP 44 5.195 -0.042 -7.598 322 HE1 TRP 44 HE1 TRP 44 5.577 1.795 -5.967 323 HE3 TRP 44 HE3 TRP 44 0.848 -0.476 -4.908 324 HZ2 TRP 44 HZ2 TRP 44 3.951 3.328 -4.067 325 HZ3 TRP 44 HZ3 TRP 44 0.257 1.278 -3.261 326 HH2 TRP 44 HH2 TRP 44 1.736 3.193 -2.885 327 H THR 45 H THR 45 2.612 -4.745 -5.847 328 HA THR 45 HA THR 45 1.382 -6.166 -8.147 329 HB THR 45 HB THR 45 1.846 -8.249 -6.799 330 HG1 THR 45 HG1 THR 45 2.315 -7.286 -4.798 331 HG21 THR 45 HG21 THR 45 3.230 -7.705 -8.753 332 HG22 THR 45 HG22 THR 45 4.322 -6.737 -7.738 333 HG23 THR 45 HG23 THR 45 4.191 -8.488 -7.494 334 H TYR 46 H TYR 46 -0.459 -7.690 -7.183 335 HA TYR 46 HA TYR 46 -1.683 -6.462 -4.786 336 HB2 TYR 46 HB2 TYR 46 -2.558 -5.243 -6.740 337 HB3 TYR 46 HB3 TYR 46 -3.003 -6.772 -7.494 338 HD1 TYR 46 HD1 TYR 46 -3.459 -5.358 -4.020 339 HD2 TYR 46 HD2 TYR 46 -5.349 -6.977 -7.557 340 HE1 TYR 46 HE1 TYR 46 -5.649 -5.229 -2.910 341 HE2 TYR 46 HE2 TYR 46 -7.560 -6.782 -6.459 342 HH TYR 46 HH TYR 46 -8.605 -6.458 -4.308 343 H ASP 47 H ASP 47 -3.019 -7.825 -3.594 344 HA ASP 47 HA ASP 47 -3.547 -10.580 -4.556 345 HB2 ASP 47 HB2 ASP 47 -1.724 -9.868 -2.413 346 HB3 ASP 47 HB3 ASP 47 -3.117 -10.701 -1.729 347 H ASP 48 H ASP 48 -5.749 -10.121 -4.980 348 HA ASP 48 HA ASP 48 -7.323 -8.375 -3.428 349 HB2 ASP 48 HB2 ASP 48 -7.728 -9.119 -5.786 350 HB3 ASP 48 HB3 ASP 48 -8.387 -10.630 -5.153 351 H ALA 49 H ALA 49 -6.651 -11.782 -2.718 352 HA ALA 49 HA ALA 49 -8.982 -12.388 -1.279 353 HB1 ALA 49 HB1 ALA 49 -6.137 -13.280 -0.664 354 HB2 ALA 49 HB2 ALA 49 -7.625 -14.055 -0.092 355 HB3 ALA 49 HB3 ALA 49 -7.247 -14.049 -1.823 356 H THR 50 H THR 50 -6.217 -10.471 -0.247 357 HA THR 50 HA THR 50 -7.638 -9.710 2.255 358 HB THR 50 HB THR 50 -6.107 -11.110 3.147 359 HG1 THR 50 HG1 THR 50 -5.688 -8.751 3.691 360 HG21 THR 50 HG21 THR 50 -4.089 -10.369 1.004 361 HG22 THR 50 HG22 THR 50 -3.712 -11.363 2.437 362 HG23 THR 50 HG23 THR 50 -4.897 -11.919 1.279 363 H LYS 51 H LYS 51 -6.485 -8.648 -0.716 364 HA LYS 51 HA LYS 51 -6.303 -6.929 -1.780 365 HB2 LYS 51 HB2 LYS 51 -7.707 -5.574 0.504 366 HB3 LYS 51 HB3 LYS 51 -7.446 -4.877 -1.115 367 HG2 LYS 51 HG2 LYS 51 -8.683 -7.050 -1.916 368 HG3 LYS 51 HG3 LYS 51 -9.159 -7.219 -0.223 369 HD2 LYS 51 HD2 LYS 51 -10.182 -4.897 -0.355 370 HD3 LYS 51 HD3 LYS 51 -9.779 -4.901 -2.096 371 HE2 LYS 51 HE2 LYS 51 -10.997 -7.127 -2.247 372 HE3 LYS 51 HE3 LYS 51 -11.589 -6.843 -0.600 373 HZ1 LYS 51 HZ1 LYS 51 -12.698 -4.834 -1.464 374 HZ2 LYS 51 HZ2 LYS 51 -12.126 -5.160 -2.982 375 HZ3 LYS 51 HZ3 LYS 51 -13.177 -6.170 -2.233 376 H THR 52 H THR 52 -4.183 -7.955 -0.437 377 HA THR 52 HA THR 52 -2.588 -5.911 0.787 378 HB THR 52 HB THR 52 -1.877 -8.722 -0.115 379 HG1 THR 52 HG1 THR 52 -2.255 -9.098 2.164 380 HG21 THR 52 HG21 THR 52 -0.595 -6.924 2.004 381 HG22 THR 52 HG22 THR 52 -0.133 -8.595 1.591 382 HG23 THR 52 HG23 THR 52 0.110 -7.299 0.415 383 H PHE 53 H PHE 53 -1.548 -4.425 -0.300 384 HA PHE 53 HA PHE 53 -0.660 -4.851 -3.109 385 HB2 PHE 53 HB2 PHE 53 -1.299 -2.425 -1.398 386 HB3 PHE 53 HB3 PHE 53 -0.293 -2.286 -2.822 387 HD1 PHE 53 HD1 PHE 53 -1.144 -2.554 -5.096 388 HD2 PHE 53 HD2 PHE 53 -3.706 -2.943 -1.641 389 HE1 PHE 53 HE1 PHE 53 -3.139 -2.212 -6.535 390 HE2 PHE 53 HE2 PHE 53 -5.681 -2.628 -3.081 391 HZ PHE 53 HZ PHE 53 -5.399 -2.185 -5.520 392 H THR 54 H THR 54 1.380 -5.692 -3.068 393 HA THR 54 HA THR 54 3.252 -4.816 -0.963 394 HB THR 54 HB THR 54 3.350 -7.323 -2.674 395 HG1 THR 54 HG1 THR 54 2.384 -8.323 -0.980 396 HG21 THR 54 HG21 THR 54 4.778 -6.494 -0.107 397 HG22 THR 54 HG22 THR 54 4.843 -8.114 -0.822 398 HG23 THR 54 HG23 THR 54 5.532 -6.750 -1.705 399 H VAL 55 H VAL 55 5.308 -4.133 -1.471 400 HA VAL 55 HA VAL 55 5.922 -3.517 -4.294 401 HB VAL 55 HB VAL 55 6.092 -1.736 -1.876 402 HG11 VAL 55 HG11 VAL 55 7.751 -1.390 -4.414 403 HG12 VAL 55 HG12 VAL 55 7.478 -0.133 -3.196 404 HG13 VAL 55 HG13 VAL 55 8.376 -1.586 -2.759 405 HG21 VAL 55 HG21 VAL 55 5.306 -1.305 -4.789 406 HG22 VAL 55 HG22 VAL 55 4.144 -1.636 -3.478 407 HG23 VAL 55 HG23 VAL 55 5.078 -0.134 -3.470 408 H THR 56 H THR 56 7.964 -3.994 -4.926 409 HA THR 56 HA THR 56 9.754 -5.247 -2.912 410 HB THR 56 HB THR 56 9.325 -6.195 -5.767 411 HG1 THR 56 HG1 THR 56 7.412 -6.565 -4.853 412 HG21 THR 56 HG21 THR 56 11.439 -6.869 -4.579 413 HG22 THR 56 HG22 THR 56 10.439 -7.644 -3.324 414 HG23 THR 56 HG23 THR 56 10.384 -8.218 -5.007 415 H GLU 57 H GLU 57 11.419 -3.809 -2.711 416 HA GLU 57 HA GLU 57 12.329 -2.084 -4.875 417 HB2 GLU 57 HB2 GLU 57 12.398 -1.645 -2.358 418 HB3 GLU 57 HB3 GLU 57 13.746 -2.784 -2.261 419 HG2 GLU 57 HG2 GLU 57 14.952 -1.247 -3.934 420 HG3 GLU 57 HG3 GLU 57 13.622 -0.107 -3.723 Start of MODEL 11 1 H1 MET 1 H MET 1 -16.462 1.477 1.173 2 HA MET 1 HA MET 1 -16.718 -0.579 -0.009 3 HB2 MET 1 HB2 MET 1 -14.889 1.178 -0.628 4 HB3 MET 1 HB3 MET 1 -13.740 -0.090 -0.238 5 HG2 MET 1 HG2 MET 1 -14.777 -1.574 -1.893 6 HG3 MET 1 HG3 MET 1 -16.134 -0.460 -2.075 7 HE1 MET 1 HE1 MET 1 -15.553 -1.218 -4.610 8 HE2 MET 1 HE2 MET 1 -16.373 0.342 -4.399 9 HE3 MET 1 HE3 MET 1 -15.029 0.195 -5.554 10 H GLY 2 H GLY 2 -13.657 -0.807 2.037 11 HA2 GLY 2 HA2 GLY 2 -14.375 -3.151 3.332 12 HA3 GLY 2 HA3 GLY 2 -13.467 -3.574 1.863 13 H THR 3 H THR 3 -12.102 -4.361 3.743 14 HA THR 3 HA THR 3 -10.248 -2.331 4.831 15 HB THR 3 HB THR 3 -11.122 -3.842 6.470 16 HG1 THR 3 HG1 THR 3 -8.993 -3.491 6.761 17 HG21 THR 3 HG21 THR 3 -11.928 -5.740 5.093 18 HG22 THR 3 HG22 THR 3 -10.258 -6.210 4.748 19 HG23 THR 3 HG23 THR 3 -10.889 -6.287 6.405 20 H TYR 4 H TYR 4 -8.139 -2.237 4.057 21 HA TYR 4 HA TYR 4 -7.222 -4.202 2.033 22 HB2 TYR 4 HB2 TYR 4 -6.974 -1.186 1.888 23 HB3 TYR 4 HB3 TYR 4 -6.296 -2.317 0.733 24 HD1 TYR 4 HD1 TYR 4 -7.489 -2.709 -1.295 25 HD2 TYR 4 HD2 TYR 4 -9.571 -1.084 2.114 26 HE1 TYR 4 HE1 TYR 4 -9.495 -2.347 -2.689 27 HE2 TYR 4 HE2 TYR 4 -11.590 -0.781 0.737 28 HH TYR 4 HH TYR 4 -11.694 -1.567 -2.745 29 H LYS 5 H LYS 5 -4.868 -4.312 1.826 30 HA LYS 5 HA LYS 5 -3.490 -3.137 4.248 31 HB2 LYS 5 HB2 LYS 5 -3.635 -5.925 3.253 32 HB3 LYS 5 HB3 LYS 5 -2.012 -5.357 3.673 33 HG2 LYS 5 HG2 LYS 5 -2.880 -4.638 5.899 34 HG3 LYS 5 HG3 LYS 5 -4.460 -5.326 5.499 35 HD2 LYS 5 HD2 LYS 5 -3.649 -7.533 5.555 36 HD3 LYS 5 HD3 LYS 5 -1.966 -7.038 5.269 37 HE2 LYS 5 HE2 LYS 5 -1.803 -6.038 7.480 38 HE3 LYS 5 HE3 LYS 5 -3.501 -6.436 7.826 39 HZ1 LYS 5 HZ1 LYS 5 -1.805 -8.036 8.716 40 HZ2 LYS 5 HZ2 LYS 5 -2.982 -8.719 7.767 41 HZ3 LYS 5 HZ3 LYS 5 -1.458 -8.475 7.195 42 H LEU 6 H LEU 6 -1.483 -2.159 3.974 43 HA LEU 6 HA LEU 6 -0.366 -2.148 1.229 44 HB2 LEU 6 HB2 LEU 6 -1.749 -0.052 1.954 45 HB3 LEU 6 HB3 LEU 6 -0.300 0.402 2.842 46 HG LEU 6 HG LEU 6 -0.253 -0.397 -0.113 47 HD11 LEU 6 HD11 LEU 6 -1.868 1.378 0.060 48 HD12 LEU 6 HD12 LEU 6 -0.756 2.372 1.027 49 HD13 LEU 6 HD13 LEU 6 -0.385 1.996 -0.675 50 HD21 LEU 6 HD21 LEU 6 1.614 1.427 1.470 51 HD22 LEU 6 HD22 LEU 6 1.950 -0.258 0.983 52 HD23 LEU 6 HD23 LEU 6 1.754 0.980 -0.234 53 H ILE 7 H ILE 7 1.464 -3.245 1.402 54 HA ILE 7 HA ILE 7 3.357 -2.768 3.607 55 HB ILE 7 HB ILE 7 2.362 -4.916 3.987 56 HG12 ILE 7 HG12 ILE 7 5.026 -5.494 2.607 57 HG13 ILE 7 HG13 ILE 7 4.879 -4.745 4.187 58 HG21 ILE 7 HG21 ILE 7 3.056 -5.812 1.167 59 HG22 ILE 7 HG22 ILE 7 2.180 -6.726 2.396 60 HG23 ILE 7 HG23 ILE 7 1.436 -5.308 1.668 61 HD11 ILE 7 HD11 ILE 7 4.036 -7.561 3.433 62 HD12 ILE 7 HD12 ILE 7 5.319 -7.065 4.539 63 HD13 ILE 7 HD13 ILE 7 3.624 -6.800 4.986 64 H LEU 8 H LEU 8 5.364 -2.365 3.149 65 HA LEU 8 HA LEU 8 6.199 -2.190 0.304 66 HB2 LEU 8 HB2 LEU 8 7.013 -0.436 2.653 67 HB3 LEU 8 HB3 LEU 8 7.518 -0.265 0.986 68 HG LEU 8 HG LEU 8 5.992 1.461 1.487 69 HD11 LEU 8 HD11 LEU 8 4.432 -0.564 -0.166 70 HD12 LEU 8 HD12 LEU 8 4.280 1.195 -0.229 71 HD13 LEU 8 HD13 LEU 8 5.766 0.419 -0.781 72 HD21 LEU 8 HD21 LEU 8 4.868 0.341 3.424 73 HD22 LEU 8 HD22 LEU 8 3.873 1.377 2.363 74 HD23 LEU 8 HD23 LEU 8 3.758 -0.380 2.256 75 H ASN 9 H ASN 9 8.236 -2.930 -0.236 76 HA ASN 9 HA ASN 9 9.921 -4.094 1.919 77 HB2 ASN 9 HB2 ASN 9 9.350 -5.451 -0.737 78 HB3 ASN 9 HB3 ASN 9 10.554 -5.933 0.434 79 HD21 ASN 9 HD21 ASN 9 6.863 -7.315 0.954 80 HD22 ASN 9 HD22 ASN 9 7.367 -6.460 -0.501 81 H GLY 10 H GLY 10 11.162 -2.176 1.854 82 HA2 GLY 10 HA2 GLY 10 12.588 -1.499 -0.632 83 HA3 GLY 10 HA3 GLY 10 12.586 -0.597 0.888 84 H LYS 11 H LYS 11 14.973 -1.144 -0.370 85 HA LYS 11 HA LYS 11 16.320 -3.522 0.355 86 HB2 LYS 11 HB2 LYS 11 17.172 -1.993 -1.230 87 HB3 LYS 11 HB3 LYS 11 17.264 -0.670 -0.060 88 HG2 LYS 11 HG2 LYS 11 19.162 -1.771 1.066 89 HG3 LYS 11 HG3 LYS 11 19.027 -3.163 -0.044 90 HD2 LYS 11 HD2 LYS 11 19.321 -1.630 -1.971 91 HD3 LYS 11 HD3 LYS 11 19.462 -0.253 -0.864 92 HE2 LYS 11 HE2 LYS 11 21.546 -1.136 0.022 93 HE3 LYS 11 HE3 LYS 11 21.395 -2.603 -0.972 94 HZ1 LYS 11 HZ1 LYS 11 22.843 -0.886 -1.956 95 HZ2 LYS 11 HZ2 LYS 11 21.593 -1.310 -2.924 96 HZ3 LYS 11 HZ3 LYS 11 21.534 0.118 -2.123 97 H THR 12 H THR 12 16.140 -0.495 2.282 98 HA THR 12 HA THR 12 16.839 -2.131 4.629 99 HB THR 12 HB THR 12 18.855 -0.977 3.892 100 HG1 THR 12 HG1 THR 12 17.774 -1.138 6.295 101 HG21 THR 12 HG21 THR 12 17.923 1.143 3.074 102 HG22 THR 12 HG22 THR 12 17.454 1.596 4.728 103 HG23 THR 12 HG23 THR 12 19.169 1.409 4.292 104 H LEU 13 H LEU 13 14.258 -0.854 3.371 105 HA LEU 13 HA LEU 13 13.286 0.245 5.963 106 HB2 LEU 13 HB2 LEU 13 12.576 1.267 3.187 107 HB3 LEU 13 HB3 LEU 13 11.922 1.853 4.726 108 HG LEU 13 HG LEU 13 14.861 2.094 3.934 109 HD11 LEU 13 HD11 LEU 13 12.670 4.189 3.738 110 HD12 LEU 13 HD12 LEU 13 14.392 4.430 3.407 111 HD13 LEU 13 HD13 LEU 13 13.436 3.358 2.372 112 HD21 LEU 13 HD21 LEU 13 14.428 2.203 6.392 113 HD22 LEU 13 HD22 LEU 13 14.985 3.731 5.735 114 HD23 LEU 13 HD23 LEU 13 13.260 3.509 6.118 115 H LYS 14 H LYS 14 11.272 -0.558 6.551 116 HA LYS 14 HA LYS 14 9.666 -2.085 4.572 117 HB2 LYS 14 HB2 LYS 14 10.930 -3.291 7.069 118 HB3 LYS 14 HB3 LYS 14 9.352 -3.837 6.499 119 HG2 LYS 14 HG2 LYS 14 10.415 -4.187 4.204 120 HG3 LYS 14 HG3 LYS 14 11.987 -4.010 5.001 121 HD2 LYS 14 HD2 LYS 14 11.526 -5.947 6.431 122 HD3 LYS 14 HD3 LYS 14 9.837 -5.995 5.885 123 HE2 LYS 14 HE2 LYS 14 10.737 -6.294 3.510 124 HE3 LYS 14 HE3 LYS 14 12.320 -6.580 4.236 125 HZ1 LYS 14 HZ1 LYS 14 11.141 -8.607 3.788 126 HZ2 LYS 14 HZ2 LYS 14 11.312 -8.465 5.422 127 HZ3 LYS 14 HZ3 LYS 14 9.856 -8.148 4.704 128 H GLY 15 H GLY 15 7.426 -2.402 5.261 129 HA2 GLY 15 HA2 GLY 15 6.480 -1.364 7.772 130 HA3 GLY 15 HA3 GLY 15 6.278 -0.219 6.427 131 H GLU 16 H GLU 16 4.193 -1.853 7.970 132 HA GLU 16 HA GLU 16 2.743 -2.784 5.599 133 HB2 GLU 16 HB2 GLU 16 2.175 -4.918 6.603 134 HB3 GLU 16 HB3 GLU 16 3.873 -4.785 6.231 135 HG2 GLU 16 HG2 GLU 16 4.522 -5.258 8.311 136 HG3 GLU 16 HG3 GLU 16 3.417 -4.114 9.043 137 H THR 17 H THR 17 0.819 -1.727 5.687 138 HA THR 17 HA THR 17 -0.447 -1.450 8.392 139 HB THR 17 HB THR 17 0.748 0.673 7.701 140 HG1 THR 17 HG1 THR 17 -0.808 1.819 8.678 141 HG21 THR 17 HG21 THR 17 -0.033 0.536 5.265 142 HG22 THR 17 HG22 THR 17 -1.644 1.017 5.828 143 HG23 THR 17 HG23 THR 17 -0.267 2.103 6.053 144 H THR 18 H THR 18 -2.784 -0.514 8.038 145 HA THR 18 HA THR 18 -4.078 -1.791 5.752 146 HB THR 18 HB THR 18 -4.026 -3.502 7.557 147 HG1 THR 18 HG1 THR 18 -5.857 -3.186 6.080 148 HG21 THR 18 HG21 THR 18 -5.347 -3.263 9.591 149 HG22 THR 18 HG22 THR 18 -4.088 -2.022 9.561 150 HG23 THR 18 HG23 THR 18 -5.767 -1.589 9.182 151 H THR 19 H THR 19 -6.190 -0.904 5.301 152 HA THR 19 HA THR 19 -7.040 1.405 6.889 153 HB THR 19 HB THR 19 -6.436 1.643 3.928 154 HG1 THR 19 HG1 THR 19 -4.949 2.720 6.091 155 HG21 THR 19 HG21 THR 19 -7.340 3.648 6.014 156 HG22 THR 19 HG22 THR 19 -6.711 4.114 4.406 157 HG23 THR 19 HG23 THR 19 -8.188 3.162 4.540 158 H GLU 20 H GLU 20 -9.196 1.655 6.793 159 HA GLU 20 HA GLU 20 -10.877 0.079 4.929 160 HB2 GLU 20 HB2 GLU 20 -11.057 -0.728 7.288 161 HB3 GLU 20 HB3 GLU 20 -11.357 0.934 7.823 162 HG2 GLU 20 HG2 GLU 20 -13.384 0.857 6.134 163 HG3 GLU 20 HG3 GLU 20 -13.154 -0.886 6.193 164 H ALA 21 H ALA 21 -12.049 1.515 3.602 165 HA ALA 21 HA ALA 21 -12.612 4.203 4.638 166 HB1 ALA 21 HB1 ALA 21 -11.735 5.313 2.641 167 HB2 ALA 21 HB2 ALA 21 -10.430 4.461 3.481 168 HB3 ALA 21 HB3 ALA 21 -11.138 3.775 2.000 169 H VAL 22 H VAL 22 -14.085 5.338 3.220 170 HA VAL 22 HA VAL 22 -16.378 3.864 2.687 171 HB VAL 22 HB VAL 22 -17.297 5.922 1.837 172 HG11 VAL 22 HG11 VAL 22 -15.410 6.627 4.118 173 HG12 VAL 22 HG12 VAL 22 -17.011 7.307 3.751 174 HG13 VAL 22 HG13 VAL 22 -16.873 5.639 4.297 175 HG21 VAL 22 HG21 VAL 22 -15.536 6.813 0.391 176 HG22 VAL 22 HG22 VAL 22 -15.934 8.000 1.624 177 HG23 VAL 22 HG23 VAL 22 -14.454 7.039 1.788 178 H ASP 23 H ASP 23 -13.826 4.907 0.339 179 HA ASP 23 HA ASP 23 -14.790 2.895 -1.588 180 HB2 ASP 23 HB2 ASP 23 -15.999 5.107 -2.018 181 HB3 ASP 23 HB3 ASP 23 -14.386 5.744 -2.401 182 H ALA 24 H ALA 24 -13.200 2.636 -3.377 183 HA ALA 24 HA ALA 24 -10.503 2.554 -2.446 184 HB1 ALA 24 HB1 ALA 24 -10.041 1.933 -4.836 185 HB2 ALA 24 HB2 ALA 24 -11.285 0.939 -4.063 186 HB3 ALA 24 HB3 ALA 24 -11.747 2.228 -5.212 187 H ALA 25 H ALA 25 -12.370 4.890 -4.440 188 HA ALA 25 HA ALA 25 -10.268 6.497 -5.391 189 HB1 ALA 25 HB1 ALA 25 -12.003 8.309 -5.427 190 HB2 ALA 25 HB2 ALA 25 -12.594 6.777 -6.102 191 HB3 ALA 25 HB3 ALA 25 -13.077 7.282 -4.468 192 H THR 26 H THR 26 -11.897 6.588 -2.217 193 HA THR 26 HA THR 26 -10.526 8.936 -1.256 194 HB THR 26 HB THR 26 -12.272 6.760 -0.075 195 HG1 THR 26 HG1 THR 26 -13.448 8.332 -1.056 196 HG21 THR 26 HG21 THR 26 -12.341 8.052 2.063 197 HG22 THR 26 HG22 THR 26 -10.786 7.251 1.786 198 HG23 THR 26 HG23 THR 26 -10.944 8.985 1.492 199 H ALA 27 H ALA 27 -9.843 5.435 -1.172 200 HA ALA 27 HA ALA 27 -7.664 5.664 0.722 201 HB1 ALA 27 HB1 ALA 27 -8.956 3.629 0.602 202 HB2 ALA 27 HB2 ALA 27 -8.558 3.441 -1.120 203 HB3 ALA 27 HB3 ALA 27 -7.291 3.286 0.096 204 H GLU 28 H GLU 28 -7.938 5.753 -2.834 205 HA GLU 28 HA GLU 28 -5.337 5.139 -3.538 206 HB2 GLU 28 HB2 GLU 28 -7.414 5.651 -4.985 207 HB3 GLU 28 HB3 GLU 28 -6.928 7.348 -4.869 208 HG2 GLU 28 HG2 GLU 28 -4.614 6.551 -5.742 209 HG3 GLU 28 HG3 GLU 28 -5.379 4.993 -6.064 210 H LYS 29 H LYS 29 -6.504 8.113 -2.043 211 HA LYS 29 HA LYS 29 -4.190 9.726 -2.553 212 HB2 LYS 29 HB2 LYS 29 -6.086 9.860 -0.154 213 HB3 LYS 29 HB3 LYS 29 -4.947 11.108 -0.693 214 HG2 LYS 29 HG2 LYS 29 -6.201 11.070 -2.924 215 HG3 LYS 29 HG3 LYS 29 -7.470 10.154 -2.102 216 HD2 LYS 29 HD2 LYS 29 -7.823 12.000 -0.519 217 HD3 LYS 29 HD3 LYS 29 -6.414 12.868 -1.180 218 HE2 LYS 29 HE2 LYS 29 -7.547 12.851 -3.431 219 HE3 LYS 29 HE3 LYS 29 -9.000 12.208 -2.661 220 HZ1 LYS 29 HZ1 LYS 29 -9.141 14.227 -1.368 221 HZ2 LYS 29 HZ2 LYS 29 -7.678 14.758 -1.951 222 HZ3 LYS 29 HZ3 LYS 29 -8.975 14.618 -2.957 223 H VAL 30 H VAL 30 -5.098 7.614 0.223 224 HA VAL 30 HA VAL 30 -2.650 8.114 1.598 225 HB VAL 30 HB VAL 30 -4.901 7.220 2.572 226 HG11 VAL 30 HG11 VAL 30 -4.831 4.822 3.197 227 HG12 VAL 30 HG12 VAL 30 -5.077 5.006 1.476 228 HG13 VAL 30 HG13 VAL 30 -3.476 4.561 2.088 229 HG21 VAL 30 HG21 VAL 30 -3.642 6.349 4.514 230 HG22 VAL 30 HG22 VAL 30 -2.171 6.238 3.510 231 HG23 VAL 30 HG23 VAL 30 -2.924 7.817 3.856 232 H PHE 31 H PHE 31 -3.605 5.742 -0.886 233 HA PHE 31 HA PHE 31 -1.470 3.944 -0.613 234 HB2 PHE 31 HB2 PHE 31 -3.325 3.531 -2.111 235 HB3 PHE 31 HB3 PHE 31 -3.006 4.974 -3.025 236 HD1 PHE 31 HD1 PHE 31 -0.548 5.057 -4.270 237 HD2 PHE 31 HD2 PHE 31 -2.838 1.538 -3.216 238 HE1 PHE 31 HE1 PHE 31 0.597 3.789 -6.019 239 HE2 PHE 31 HE2 PHE 31 -1.799 0.338 -5.103 240 HZ PHE 31 HZ PHE 31 -0.080 1.451 -6.510 241 H LYS 32 H LYS 32 -1.599 7.048 -2.419 242 HA LYS 32 HA LYS 32 1.201 6.807 -3.170 243 HB2 LYS 32 HB2 LYS 32 -0.539 7.968 -4.528 244 HB3 LYS 32 HB3 LYS 32 -0.621 9.248 -3.307 245 HG2 LYS 32 HG2 LYS 32 1.686 9.895 -3.742 246 HG3 LYS 32 HG3 LYS 32 1.950 8.471 -4.768 247 HD2 LYS 32 HD2 LYS 32 0.291 9.283 -6.379 248 HD3 LYS 32 HD3 LYS 32 -0.054 10.688 -5.360 249 HE2 LYS 32 HE2 LYS 32 2.257 11.509 -5.670 250 HE3 LYS 32 HE3 LYS 32 2.640 10.075 -6.639 251 HZ1 LYS 32 HZ1 LYS 32 0.593 12.073 -7.366 252 HZ2 LYS 32 HZ2 LYS 32 2.097 11.949 -8.054 253 HZ3 LYS 32 HZ3 LYS 32 1.024 10.739 -8.244 254 H GLN 33 H GLN 33 -0.548 8.881 -0.780 255 HA GLN 33 HA GLN 33 1.743 10.257 0.109 256 HB2 GLN 33 HB2 GLN 33 -0.447 11.032 0.629 257 HB3 GLN 33 HB3 GLN 33 -0.890 9.545 1.463 258 HG2 GLN 33 HG2 GLN 33 1.404 11.218 2.535 259 HG3 GLN 33 HG3 GLN 33 -0.263 11.734 2.785 260 HE21 GLN 33 HE21 GLN 33 -1.148 9.012 4.982 261 HE22 GLN 33 HE22 GLN 33 -1.791 10.032 3.702 262 H TYR 34 H TYR 34 0.266 7.330 1.741 263 HA TYR 34 HA TYR 34 2.255 7.338 3.755 264 HB2 TYR 34 HB2 TYR 34 0.326 6.165 4.281 265 HB3 TYR 34 HB3 TYR 34 0.276 5.325 2.743 266 HD1 TYR 34 HD1 TYR 34 0.595 3.094 2.820 267 HD2 TYR 34 HD2 TYR 34 2.787 5.574 5.569 268 HE1 TYR 34 HE1 TYR 34 1.704 1.069 3.766 269 HE2 TYR 34 HE2 TYR 34 3.880 3.596 6.522 270 HH TYR 34 HH TYR 34 3.090 0.260 5.366 271 H ALA 35 H ALA 35 2.118 5.415 0.706 272 HA ALA 35 HA ALA 35 4.524 4.039 1.227 273 HB1 ALA 35 HB1 ALA 35 3.275 4.786 -1.447 274 HB2 ALA 35 HB2 ALA 35 4.407 3.457 -1.133 275 HB3 ALA 35 HB3 ALA 35 2.798 3.414 -0.404 276 H ASN 36 H ASN 36 4.040 7.102 -0.684 277 HA ASN 36 HA ASN 36 6.830 7.401 -1.227 278 HB2 ASN 36 HB2 ASN 36 5.147 8.475 -2.503 279 HB3 ASN 36 HB3 ASN 36 4.570 9.387 -1.083 280 HD21 ASN 36 HD21 ASN 36 7.832 10.765 -3.101 281 HD22 ASN 36 HD22 ASN 36 7.152 9.217 -3.556 282 H ASP 37 H ASP 37 4.868 8.407 1.616 283 HA ASP 37 HA ASP 37 6.901 10.058 2.800 284 HB2 ASP 37 HB2 ASP 37 4.420 10.048 3.300 285 HB3 ASP 37 HB3 ASP 37 4.655 8.548 4.206 286 H ASN 38 H ASN 38 6.351 6.643 2.588 287 HA ASN 38 HA ASN 38 8.141 5.815 4.735 288 HB2 ASN 38 HB2 ASN 38 5.997 4.676 3.688 289 HB3 ASN 38 HB3 ASN 38 7.131 4.037 2.508 290 HD21 ASN 38 HD21 ASN 38 6.377 1.583 5.216 291 HD22 ASN 38 HD22 ASN 38 5.544 2.433 3.949 292 H GLY 39 H GLY 39 8.624 7.147 1.661 293 HA2 GLY 39 HA2 GLY 39 10.528 7.579 0.503 294 HA3 GLY 39 HA3 GLY 39 11.435 6.557 1.618 295 H VAL 40 H VAL 40 8.668 5.206 -0.200 296 HA VAL 40 HA VAL 40 10.499 3.271 -1.303 297 HB VAL 40 HB VAL 40 8.617 2.076 -2.030 298 HG11 VAL 40 HG11 VAL 40 9.013 2.312 0.474 299 HG12 VAL 40 HG12 VAL 40 7.634 3.456 0.465 300 HG13 VAL 40 HG13 VAL 40 7.417 1.787 -0.063 301 HG21 VAL 40 HG21 VAL 40 6.916 4.568 -1.618 302 HG22 VAL 40 HG22 VAL 40 7.234 3.756 -3.151 303 HG23 VAL 40 HG23 VAL 40 6.297 2.909 -1.938 304 H ASP 41 H ASP 41 10.959 2.680 -3.242 305 HA ASP 41 HA ASP 41 10.060 4.063 -5.638 306 HB2 ASP 41 HB2 ASP 41 12.182 5.232 -5.070 307 HB3 ASP 41 HB3 ASP 41 13.025 3.672 -5.013 308 H GLY 42 H GLY 42 9.037 2.185 -6.551 309 HA2 GLY 42 HA2 GLY 42 10.501 -0.087 -7.230 310 HA3 GLY 42 HA3 GLY 42 9.733 -0.487 -5.692 311 H GLU 43 H GLU 43 8.912 -2.089 -7.473 312 HA GLU 43 HA GLU 43 6.592 -1.140 -9.035 313 HB2 GLU 43 HB2 GLU 43 6.590 -3.400 -9.974 314 HB3 GLU 43 HB3 GLU 43 8.122 -2.587 -10.197 315 HG2 GLU 43 HG2 GLU 43 9.291 -4.135 -9.011 316 HG3 GLU 43 HG3 GLU 43 8.078 -4.214 -7.737 317 H TRP 44 H TRP 44 4.485 -1.963 -8.781 318 HA TRP 44 HA TRP 44 3.847 -2.976 -6.057 319 HB2 TRP 44 HB2 TRP 44 2.321 -1.329 -8.118 320 HB3 TRP 44 HB3 TRP 44 1.638 -1.877 -6.603 321 HD1 TRP 44 HD1 TRP 44 4.867 0.150 -7.545 322 HE1 TRP 44 HE1 TRP 44 5.329 1.771 -5.650 323 HE3 TRP 44 HE3 TRP 44 0.763 -0.697 -4.573 324 HZ2 TRP 44 HZ2 TRP 44 3.782 3.140 -3.633 325 HZ3 TRP 44 HZ3 TRP 44 0.320 0.773 -2.648 326 HH2 TRP 44 HH2 TRP 44 1.750 2.740 -2.212 327 H THR 45 H THR 45 2.501 -4.737 -5.722 328 HA THR 45 HA THR 45 1.170 -6.126 -7.980 329 HB THR 45 HB THR 45 1.797 -8.243 -6.614 330 HG1 THR 45 HG1 THR 45 4.067 -6.690 -5.920 331 HG21 THR 45 HG21 THR 45 2.624 -7.821 -8.887 332 HG22 THR 45 HG22 THR 45 3.971 -6.872 -8.228 333 HG23 THR 45 HG23 THR 45 3.847 -8.606 -7.876 334 H TYR 46 H TYR 46 -0.742 -7.512 -7.100 335 HA TYR 46 HA TYR 46 -1.664 -6.553 -4.435 336 HB2 TYR 46 HB2 TYR 46 -2.538 -5.008 -6.111 337 HB3 TYR 46 HB3 TYR 46 -3.134 -6.357 -7.076 338 HD1 TYR 46 HD1 TYR 46 -3.469 -5.064 -3.534 339 HD2 TYR 46 HD2 TYR 46 -5.446 -6.725 -7.000 340 HE1 TYR 46 HE1 TYR 46 -5.653 -4.866 -2.391 341 HE2 TYR 46 HE2 TYR 46 -7.633 -6.458 -5.877 342 HH TYR 46 HH TYR 46 -8.698 -6.011 -3.786 343 H ASP 47 H ASP 47 -3.068 -7.851 -3.333 344 HA ASP 47 HA ASP 47 -3.888 -10.482 -4.466 345 HB2 ASP 47 HB2 ASP 47 -2.216 -9.977 -2.041 346 HB3 ASP 47 HB3 ASP 47 -3.582 -11.048 -1.818 347 H ASP 48 H ASP 48 -6.018 -9.833 -4.789 348 HA ASP 48 HA ASP 48 -7.460 -8.104 -3.056 349 HB2 ASP 48 HB2 ASP 48 -7.959 -8.697 -5.498 350 HB3 ASP 48 HB3 ASP 48 -8.666 -10.191 -4.895 351 H ALA 49 H ALA 49 -6.663 -11.423 -2.764 352 HA ALA 49 HA ALA 49 -8.816 -12.465 -1.293 353 HB1 ALA 49 HB1 ALA 49 -5.851 -13.128 -0.964 354 HB2 ALA 49 HB2 ALA 49 -7.229 -14.159 -0.519 355 HB3 ALA 49 HB3 ALA 49 -6.928 -13.786 -2.220 356 H THR 50 H THR 50 -6.301 -10.292 -0.269 357 HA THR 50 HA THR 50 -7.486 -10.132 2.458 358 HB THR 50 HB THR 50 -5.542 -11.381 2.802 359 HG1 THR 50 HG1 THR 50 -5.723 -9.472 4.114 360 HG21 THR 50 HG21 THR 50 -4.111 -9.522 0.872 361 HG22 THR 50 HG22 THR 50 -3.269 -10.683 1.936 362 HG23 THR 50 HG23 THR 50 -4.376 -11.248 0.694 363 H LYS 51 H LYS 51 -6.128 -8.475 -0.388 364 HA LYS 51 HA LYS 51 -6.525 -6.757 -1.352 365 HB2 LYS 51 HB2 LYS 51 -7.970 -5.714 1.068 366 HB3 LYS 51 HB3 LYS 51 -7.736 -4.829 -0.457 367 HG2 LYS 51 HG2 LYS 51 -8.798 -6.898 -1.572 368 HG3 LYS 51 HG3 LYS 51 -9.212 -7.434 0.046 369 HD2 LYS 51 HD2 LYS 51 -10.575 -5.389 0.389 370 HD3 LYS 51 HD3 LYS 51 -10.131 -4.831 -1.250 371 HE2 LYS 51 HE2 LYS 51 -11.040 -6.914 -2.217 372 HE3 LYS 51 HE3 LYS 51 -11.483 -7.485 -0.599 373 HZ1 LYS 51 HZ1 LYS 51 -13.069 -5.637 -0.469 374 HZ2 LYS 51 HZ2 LYS 51 -12.638 -5.158 -2.000 375 HZ3 LYS 51 HZ3 LYS 51 -13.343 -6.609 -1.741 376 H THR 52 H THR 52 -4.301 -7.788 -0.001 377 HA THR 52 HA THR 52 -2.731 -5.647 1.059 378 HB THR 52 HB THR 52 -2.039 -8.506 0.312 379 HG1 THR 52 HG1 THR 52 -2.118 -8.655 2.645 380 HG21 THR 52 HG21 THR 52 -0.503 -6.478 1.998 381 HG22 THR 52 HG22 THR 52 -0.076 -8.187 1.778 382 HG23 THR 52 HG23 THR 52 0.010 -7.086 0.402 383 H PHE 53 H PHE 53 -1.496 -4.345 -0.039 384 HA PHE 53 HA PHE 53 -0.899 -4.710 -2.930 385 HB2 PHE 53 HB2 PHE 53 -1.233 -2.316 -1.063 386 HB3 PHE 53 HB3 PHE 53 -0.349 -2.176 -2.551 387 HD1 PHE 53 HD1 PHE 53 -1.454 -2.426 -4.764 388 HD2 PHE 53 HD2 PHE 53 -3.673 -2.392 -1.067 389 HE1 PHE 53 HE1 PHE 53 -3.513 -1.816 -6.005 390 HE2 PHE 53 HE2 PHE 53 -5.718 -1.730 -2.315 391 HZ PHE 53 HZ PHE 53 -5.639 -1.444 -4.782 392 H THR 54 H THR 54 1.179 -5.628 -3.037 393 HA THR 54 HA THR 54 3.100 -4.978 -0.862 394 HB THR 54 HB THR 54 3.325 -7.172 -2.931 395 HG1 THR 54 HG1 THR 54 2.794 -8.518 -1.083 396 HG21 THR 54 HG21 THR 54 4.695 -6.730 -0.239 397 HG22 THR 54 HG22 THR 54 4.933 -8.133 -1.290 398 HG23 THR 54 HG23 THR 54 5.447 -6.555 -1.845 399 H VAL 55 H VAL 55 5.097 -4.078 -1.392 400 HA VAL 55 HA VAL 55 5.507 -3.237 -4.209 401 HB VAL 55 HB VAL 55 5.718 -1.720 -1.663 402 HG11 VAL 55 HG11 VAL 55 7.729 -1.242 -3.901 403 HG12 VAL 55 HG12 VAL 55 7.397 -0.124 -2.541 404 HG13 VAL 55 HG13 VAL 55 8.126 -1.702 -2.242 405 HG21 VAL 55 HG21 VAL 55 5.361 -0.946 -4.574 406 HG22 VAL 55 HG22 VAL 55 4.034 -1.326 -3.460 407 HG23 VAL 55 HG23 VAL 55 5.050 0.096 -3.157 408 H THR 56 H THR 56 7.443 -3.692 -5.092 409 HA THR 56 HA THR 56 9.386 -5.179 -3.413 410 HB THR 56 HB THR 56 8.645 -5.849 -6.288 411 HG1 THR 56 HG1 THR 56 6.835 -6.383 -5.292 412 HG21 THR 56 HG21 THR 56 10.841 -6.654 -5.452 413 HG22 THR 56 HG22 THR 56 10.003 -7.498 -4.115 414 HG23 THR 56 HG23 THR 56 9.715 -7.963 -5.809 415 H GLU 57 H GLU 57 11.068 -3.700 -3.226 416 HA GLU 57 HA GLU 57 11.686 -1.743 -5.272 417 HB2 GLU 57 HB2 GLU 57 12.208 -1.424 -2.888 418 HB3 GLU 57 HB3 GLU 57 13.286 -2.828 -2.904 419 HG2 GLU 57 HG2 GLU 57 14.762 -1.703 -4.543 420 HG3 GLU 57 HG3 GLU 57 13.693 -0.299 -4.559 Start of MODEL 12 1 H1 MET 1 H MET 1 -16.631 0.509 2.399 2 HA MET 1 HA MET 1 -16.629 -0.326 0.100 3 HB2 MET 1 HB2 MET 1 -15.153 1.679 -0.595 4 HB3 MET 1 HB3 MET 1 -13.787 0.695 -0.136 5 HG2 MET 1 HG2 MET 1 -14.285 0.473 -2.534 6 HG3 MET 1 HG3 MET 1 -14.574 -1.056 -1.708 7 HE1 MET 1 HE1 MET 1 -17.079 2.186 -2.025 8 HE2 MET 1 HE2 MET 1 -16.155 2.018 -3.546 9 HE3 MET 1 HE3 MET 1 -17.892 1.657 -3.507 10 H GLY 2 H GLY 2 -13.358 -0.299 1.968 11 HA2 GLY 2 HA2 GLY 2 -14.036 -2.655 3.243 12 HA3 GLY 2 HA3 GLY 2 -13.117 -3.067 1.769 13 H THR 3 H THR 3 -11.754 -3.846 3.710 14 HA THR 3 HA THR 3 -10.035 -1.681 4.720 15 HB THR 3 HB THR 3 -10.931 -3.101 6.468 16 HG1 THR 3 HG1 THR 3 -8.717 -2.295 6.407 17 HG21 THR 3 HG21 THR 3 -11.267 -5.226 5.231 18 HG22 THR 3 HG22 THR 3 -9.514 -5.459 5.157 19 HG23 THR 3 HG23 THR 3 -10.357 -5.457 6.726 20 H TYR 4 H TYR 4 -7.886 -1.611 3.954 21 HA TYR 4 HA TYR 4 -7.148 -3.594 1.875 22 HB2 TYR 4 HB2 TYR 4 -6.635 -0.605 1.908 23 HB3 TYR 4 HB3 TYR 4 -6.141 -1.728 0.661 24 HD1 TYR 4 HD1 TYR 4 -7.745 -2.510 -1.051 25 HD2 TYR 4 HD2 TYR 4 -9.139 0.028 2.179 26 HE1 TYR 4 HE1 TYR 4 -9.860 -2.075 -2.264 27 HE2 TYR 4 HE2 TYR 4 -11.165 0.500 0.926 28 HH TYR 4 HH TYR 4 -12.197 -1.416 -1.662 29 H LYS 5 H LYS 5 -4.977 -4.404 1.962 30 HA LYS 5 HA LYS 5 -3.511 -3.419 4.408 31 HB2 LYS 5 HB2 LYS 5 -3.703 -6.052 3.035 32 HB3 LYS 5 HB3 LYS 5 -2.144 -5.603 3.753 33 HG2 LYS 5 HG2 LYS 5 -3.271 -5.118 5.905 34 HG3 LYS 5 HG3 LYS 5 -4.834 -5.627 5.216 35 HD2 LYS 5 HD2 LYS 5 -4.095 -7.879 4.978 36 HD3 LYS 5 HD3 LYS 5 -2.398 -7.410 5.154 37 HE2 LYS 5 HE2 LYS 5 -3.000 -6.675 7.539 38 HE3 LYS 5 HE3 LYS 5 -4.496 -7.611 7.315 39 HZ1 LYS 5 HZ1 LYS 5 -2.983 -9.528 6.748 40 HZ2 LYS 5 HZ2 LYS 5 -1.705 -8.609 7.203 41 HZ3 LYS 5 HZ3 LYS 5 -2.864 -9.011 8.297 42 H LEU 6 H LEU 6 -1.546 -2.548 4.336 43 HA LEU 6 HA LEU 6 -0.332 -1.980 1.650 44 HB2 LEU 6 HB2 LEU 6 -1.277 -0.269 3.866 45 HB3 LEU 6 HB3 LEU 6 0.403 0.046 3.511 46 HG LEU 6 HG LEU 6 -1.588 -0.032 1.244 47 HD11 LEU 6 HD11 LEU 6 -2.663 1.475 2.725 48 HD12 LEU 6 HD12 LEU 6 -1.143 2.210 3.252 49 HD13 LEU 6 HD13 LEU 6 -1.747 2.498 1.611 50 HD21 LEU 6 HD21 LEU 6 1.012 1.523 1.738 51 HD22 LEU 6 HD22 LEU 6 0.871 0.046 0.790 52 HD23 LEU 6 HD23 LEU 6 0.073 1.517 0.236 53 H ILE 7 H ILE 7 1.485 -3.268 1.572 54 HA ILE 7 HA ILE 7 3.455 -3.147 3.770 55 HB ILE 7 HB ILE 7 2.482 -5.336 3.906 56 HG12 ILE 7 HG12 ILE 7 5.141 -5.656 2.438 57 HG13 ILE 7 HG13 ILE 7 5.023 -4.980 4.055 58 HG21 ILE 7 HG21 ILE 7 1.547 -5.472 1.568 59 HG22 ILE 7 HG22 ILE 7 3.183 -5.838 0.999 60 HG23 ILE 7 HG23 ILE 7 2.357 -6.940 2.113 61 HD11 ILE 7 HD11 ILE 7 4.226 -7.790 3.227 62 HD12 ILE 7 HD12 ILE 7 5.583 -7.311 4.245 63 HD13 ILE 7 HD13 ILE 7 3.920 -7.105 4.836 64 H LEU 8 H LEU 8 5.341 -2.385 3.235 65 HA LEU 8 HA LEU 8 6.010 -2.072 0.346 66 HB2 LEU 8 HB2 LEU 8 6.604 -0.185 2.647 67 HB3 LEU 8 HB3 LEU 8 7.134 -0.004 1.011 68 HG LEU 8 HG LEU 8 5.361 1.517 1.345 69 HD11 LEU 8 HD11 LEU 8 4.222 -0.822 -0.256 70 HD12 LEU 8 HD12 LEU 8 3.679 0.843 -0.350 71 HD13 LEU 8 HD13 LEU 8 5.314 0.440 -0.873 72 HD21 LEU 8 HD21 LEU 8 3.316 -0.546 2.099 73 HD22 LEU 8 HD22 LEU 8 4.310 0.283 3.319 74 HD23 LEU 8 HD23 LEU 8 3.272 1.212 2.225 75 H ASN 9 H ASN 9 8.171 -2.480 -0.304 76 HA ASN 9 HA ASN 9 10.038 -3.485 1.776 77 HB2 ASN 9 HB2 ASN 9 9.704 -4.506 -1.080 78 HB3 ASN 9 HB3 ASN 9 11.043 -4.862 -0.032 79 HD21 ASN 9 HD21 ASN 9 7.872 -6.668 1.703 80 HD22 ASN 9 HD22 ASN 9 8.149 -4.931 1.854 81 H GLY 10 H GLY 10 11.797 -2.205 1.788 82 HA2 GLY 10 HA2 GLY 10 12.681 -0.695 -0.601 83 HA3 GLY 10 HA3 GLY 10 12.465 0.108 0.969 84 H LYS 11 H LYS 11 15.033 0.073 -0.123 85 HA LYS 11 HA LYS 11 16.625 -2.134 0.424 86 HB2 LYS 11 HB2 LYS 11 17.108 0.073 -0.760 87 HB3 LYS 11 HB3 LYS 11 17.443 0.786 0.808 88 HG2 LYS 11 HG2 LYS 11 19.383 -0.612 1.100 89 HG3 LYS 11 HG3 LYS 11 18.900 -1.685 -0.232 90 HD2 LYS 11 HD2 LYS 11 19.196 0.006 -1.871 91 HD3 LYS 11 HD3 LYS 11 19.424 1.285 -0.658 92 HE2 LYS 11 HE2 LYS 11 21.545 0.382 0.011 93 HE3 LYS 11 HE3 LYS 11 21.285 -1.093 -0.946 94 HZ1 LYS 11 HZ1 LYS 11 22.751 0.499 -2.025 95 HZ2 LYS 11 HZ2 LYS 11 21.427 0.146 -2.932 96 HZ3 LYS 11 HZ3 LYS 11 21.533 1.596 -2.146 97 H THR 12 H THR 12 16.103 0.594 2.732 98 HA THR 12 HA THR 12 16.716 -1.301 4.907 99 HB THR 12 HB THR 12 18.621 0.212 4.442 100 HG1 THR 12 HG1 THR 12 17.788 -0.716 6.639 101 HG21 THR 12 HG21 THR 12 17.338 2.315 4.018 102 HG22 THR 12 HG22 THR 12 16.879 2.358 5.735 103 HG23 THR 12 HG23 THR 12 18.588 2.499 5.255 104 H LEU 13 H LEU 13 14.277 0.359 3.542 105 HA LEU 13 HA LEU 13 12.883 0.913 6.110 106 HB2 LEU 13 HB2 LEU 13 12.458 2.126 3.346 107 HB3 LEU 13 HB3 LEU 13 11.547 2.519 4.797 108 HG LEU 13 HG LEU 13 14.539 3.026 4.421 109 HD11 LEU 13 HD11 LEU 13 13.194 4.465 2.947 110 HD12 LEU 13 HD12 LEU 13 12.265 5.031 4.350 111 HD13 LEU 13 HD13 LEU 13 13.999 5.388 4.224 112 HD21 LEU 13 HD21 LEU 13 13.991 2.747 6.775 113 HD22 LEU 13 HD22 LEU 13 14.303 4.452 6.440 114 HD23 LEU 13 HD23 LEU 13 12.629 3.884 6.632 115 H LYS 14 H LYS 14 11.436 -0.652 6.537 116 HA LYS 14 HA LYS 14 9.828 -1.798 4.340 117 HB2 LYS 14 HB2 LYS 14 11.817 -3.351 4.771 118 HB3 LYS 14 HB3 LYS 14 11.232 -3.537 6.426 119 HG2 LYS 14 HG2 LYS 14 9.018 -4.363 5.445 120 HG3 LYS 14 HG3 LYS 14 9.789 -4.318 3.856 121 HD2 LYS 14 HD2 LYS 14 11.402 -6.023 4.597 122 HD3 LYS 14 HD3 LYS 14 10.677 -6.005 6.232 123 HE2 LYS 14 HE2 LYS 14 8.460 -6.611 5.222 124 HE3 LYS 14 HE3 LYS 14 9.233 -6.697 3.629 125 HZ1 LYS 14 HZ1 LYS 14 9.070 -8.863 4.531 126 HZ2 LYS 14 HZ2 LYS 14 10.647 -8.445 4.515 127 HZ3 LYS 14 HZ3 LYS 14 9.798 -8.420 5.952 128 H GLY 15 H GLY 15 7.712 -2.484 5.161 129 HA2 GLY 15 HA2 GLY 15 7.118 -2.762 7.867 130 HA3 GLY 15 HA3 GLY 15 6.812 -1.075 7.446 131 H GLU 16 H GLU 16 4.649 -2.581 8.225 132 HA GLU 16 HA GLU 16 3.120 -2.690 5.766 133 HB2 GLU 16 HB2 GLU 16 2.157 -4.882 6.246 134 HB3 GLU 16 HB3 GLU 16 3.902 -5.014 6.015 135 HG2 GLU 16 HG2 GLU 16 4.294 -5.265 8.392 136 HG3 GLU 16 HG3 GLU 16 2.609 -4.905 8.772 137 H THR 17 H THR 17 0.874 -2.512 6.064 138 HA THR 17 HA THR 17 -0.157 -2.254 8.805 139 HB THR 17 HB THR 17 1.038 -0.089 8.247 140 HG1 THR 17 HG1 THR 17 -0.198 0.147 9.814 141 HG21 THR 17 HG21 THR 17 -0.076 1.593 6.914 142 HG22 THR 17 HG22 THR 17 0.389 0.229 5.897 143 HG23 THR 17 HG23 THR 17 -1.313 0.443 6.388 144 H THR 18 H THR 18 -2.521 -1.049 8.377 145 HA THR 18 HA THR 18 -3.867 -2.226 6.077 146 HB THR 18 HB THR 18 -3.828 -3.973 7.881 147 HG1 THR 18 HG1 THR 18 -6.368 -2.986 7.151 148 HG21 THR 18 HG21 THR 18 -5.286 -3.812 9.812 149 HG22 THR 18 HG22 THR 18 -4.043 -2.551 9.879 150 HG23 THR 18 HG23 THR 18 -5.702 -2.134 9.411 151 H THR 19 H THR 19 -5.795 -1.031 5.589 152 HA THR 19 HA THR 19 -6.422 1.331 7.250 153 HB THR 19 HB THR 19 -6.301 2.734 5.272 154 HG1 THR 19 HG1 THR 19 -5.500 1.759 3.278 155 HG21 THR 19 HG21 THR 19 -3.958 2.830 4.743 156 HG22 THR 19 HG22 THR 19 -4.107 2.386 6.450 157 HG23 THR 19 HG23 THR 19 -3.695 1.153 5.239 158 H GLU 20 H GLU 20 -8.488 2.346 6.285 159 HA GLU 20 HA GLU 20 -10.352 0.455 5.012 160 HB2 GLU 20 HB2 GLU 20 -10.958 2.125 7.458 161 HB3 GLU 20 HB3 GLU 20 -12.155 1.255 6.515 162 HG2 GLU 20 HG2 GLU 20 -11.389 -0.875 7.216 163 HG3 GLU 20 HG3 GLU 20 -9.856 -0.234 7.848 164 H ALA 21 H ALA 21 -11.991 1.661 3.711 165 HA ALA 21 HA ALA 21 -11.806 4.584 3.724 166 HB1 ALA 21 HB1 ALA 21 -11.370 4.757 1.330 167 HB2 ALA 21 HB2 ALA 21 -10.014 3.937 2.109 168 HB3 ALA 21 HB3 ALA 21 -11.216 2.992 1.197 169 H VAL 22 H VAL 22 -13.740 5.529 2.935 170 HA VAL 22 HA VAL 22 -16.030 3.791 2.892 171 HB VAL 22 HB VAL 22 -17.341 5.792 2.357 172 HG11 VAL 22 HG11 VAL 22 -15.389 6.203 4.644 173 HG12 VAL 22 HG12 VAL 22 -17.023 6.884 4.492 174 HG13 VAL 22 HG13 VAL 22 -16.810 5.142 4.679 175 HG21 VAL 22 HG21 VAL 22 -14.700 7.313 2.449 176 HG22 VAL 22 HG22 VAL 22 -15.806 7.152 1.048 177 HG23 VAL 22 HG23 VAL 22 -16.312 8.036 2.486 178 H ASP 23 H ASP 23 -14.004 5.237 0.316 179 HA ASP 23 HA ASP 23 -15.338 3.477 -1.669 180 HB2 ASP 23 HB2 ASP 23 -16.115 5.905 -1.683 181 HB3 ASP 23 HB3 ASP 23 -14.460 6.350 -2.097 182 H ALA 24 H ALA 24 -13.778 3.012 -3.445 183 HA ALA 24 HA ALA 24 -11.095 2.571 -2.434 184 HB1 ALA 24 HB1 ALA 24 -12.290 2.220 -5.217 185 HB2 ALA 24 HB2 ALA 24 -10.663 1.713 -4.719 186 HB3 ALA 24 HB3 ALA 24 -12.079 0.963 -3.963 187 H ALA 25 H ALA 25 -12.738 5.147 -4.074 188 HA ALA 25 HA ALA 25 -10.773 6.444 -5.527 189 HB1 ALA 25 HB1 ALA 25 -13.161 7.092 -5.435 190 HB2 ALA 25 HB2 ALA 25 -12.948 7.691 -3.773 191 HB3 ALA 25 HB3 ALA 25 -12.108 8.475 -5.126 192 H THR 26 H THR 26 -11.420 6.855 -1.972 193 HA THR 26 HA THR 26 -9.121 8.631 -1.685 194 HB THR 26 HB THR 26 -10.725 7.224 0.481 195 HG1 THR 26 HG1 THR 26 -11.032 9.711 -0.838 196 HG21 THR 26 HG21 THR 26 -10.079 9.167 1.889 197 HG22 THR 26 HG22 THR 26 -8.667 8.230 1.386 198 HG23 THR 26 HG23 THR 26 -9.037 9.767 0.577 199 H ALA 27 H ALA 27 -9.754 5.124 -1.260 200 HA ALA 27 HA ALA 27 -7.439 4.512 0.241 201 HB1 ALA 27 HB1 ALA 27 -8.721 2.761 -1.906 202 HB2 ALA 27 HB2 ALA 27 -7.708 2.239 -0.551 203 HB3 ALA 27 HB3 ALA 27 -9.314 2.907 -0.235 204 H GLU 28 H GLU 28 -7.978 4.580 -3.298 205 HA GLU 28 HA GLU 28 -5.443 4.017 -4.224 206 HB2 GLU 28 HB2 GLU 28 -7.592 4.102 -5.452 207 HB3 GLU 28 HB3 GLU 28 -7.508 5.872 -5.435 208 HG2 GLU 28 HG2 GLU 28 -5.487 5.819 -6.810 209 HG3 GLU 28 HG3 GLU 28 -5.371 4.061 -6.637 210 H LYS 29 H LYS 29 -6.668 7.107 -3.025 211 HA LYS 29 HA LYS 29 -4.342 8.666 -3.930 212 HB2 LYS 29 HB2 LYS 29 -6.730 9.273 -2.131 213 HB3 LYS 29 HB3 LYS 29 -5.419 10.425 -2.428 214 HG2 LYS 29 HG2 LYS 29 -5.846 10.482 -4.783 215 HG3 LYS 29 HG3 LYS 29 -6.975 9.123 -4.701 216 HD2 LYS 29 HD2 LYS 29 -8.605 10.413 -3.503 217 HD3 LYS 29 HD3 LYS 29 -7.481 11.786 -3.321 218 HE2 LYS 29 HE2 LYS 29 -7.314 11.968 -5.777 219 HE3 LYS 29 HE3 LYS 29 -8.476 10.645 -5.962 220 HZ1 LYS 29 HZ1 LYS 29 -9.046 13.278 -4.711 221 HZ2 LYS 29 HZ2 LYS 29 -9.522 12.762 -6.208 222 HZ3 LYS 29 HZ3 LYS 29 -10.105 12.039 -4.849 223 H VAL 30 H VAL 30 -5.591 7.548 -0.728 224 HA VAL 30 HA VAL 30 -3.322 8.488 0.626 225 HB VAL 30 HB VAL 30 -5.603 7.852 1.622 226 HG11 VAL 30 HG11 VAL 30 -4.123 5.237 2.147 227 HG12 VAL 30 HG12 VAL 30 -5.702 5.728 2.798 228 HG13 VAL 30 HG13 VAL 30 -5.529 5.429 1.062 229 HG21 VAL 30 HG21 VAL 30 -4.572 7.656 3.850 230 HG22 VAL 30 HG22 VAL 30 -3.000 7.255 3.120 231 HG23 VAL 30 HG23 VAL 30 -3.727 8.850 2.868 232 H PHE 31 H PHE 31 -3.754 5.425 -1.179 233 HA PHE 31 HA PHE 31 -1.624 3.968 -0.077 234 HB2 PHE 31 HB2 PHE 31 -2.325 4.305 -3.025 235 HB3 PHE 31 HB3 PHE 31 -1.304 3.055 -2.365 236 HD1 PHE 31 HD1 PHE 31 -3.367 2.467 0.075 237 HD2 PHE 31 HD2 PHE 31 -3.557 2.641 -4.227 238 HE1 PHE 31 HE1 PHE 31 -5.324 0.950 0.091 239 HE2 PHE 31 HE2 PHE 31 -5.524 1.159 -4.202 240 HZ PHE 31 HZ PHE 31 -6.458 0.356 -2.040 241 H LYS 32 H LYS 32 -1.494 6.545 -2.605 242 HA LYS 32 HA LYS 32 1.356 6.355 -3.017 243 HB2 LYS 32 HB2 LYS 32 -0.235 7.380 -4.626 244 HB3 LYS 32 HB3 LYS 32 -0.626 8.649 -3.472 245 HG2 LYS 32 HG2 LYS 32 1.694 9.493 -3.591 246 HG3 LYS 32 HG3 LYS 32 2.117 8.168 -4.707 247 HD2 LYS 32 HD2 LYS 32 0.484 8.997 -6.345 248 HD3 LYS 32 HD3 LYS 32 -0.025 10.277 -5.220 249 HE2 LYS 32 HE2 LYS 32 2.254 11.240 -5.264 250 HE3 LYS 32 HE3 LYS 32 2.782 9.959 -6.361 251 HZ1 LYS 32 HZ1 LYS 32 0.725 11.988 -6.918 252 HZ2 LYS 32 HZ2 LYS 32 2.223 11.952 -7.572 253 HZ3 LYS 32 HZ3 LYS 32 1.140 10.769 -7.969 254 H GLN 33 H GLN 33 -0.646 8.597 -1.091 255 HA GLN 33 HA GLN 33 1.436 10.193 -0.045 256 HB2 GLN 33 HB2 GLN 33 -0.971 10.744 0.016 257 HB3 GLN 33 HB3 GLN 33 -1.277 9.388 1.104 258 HG2 GLN 33 HG2 GLN 33 0.155 10.497 2.835 259 HG3 GLN 33 HG3 GLN 33 0.336 11.881 1.757 260 HE21 GLN 33 HE21 GLN 33 -3.000 11.526 4.067 261 HE22 GLN 33 HE22 GLN 33 -1.790 10.292 4.107 262 H TYR 34 H TYR 34 -0.155 7.336 1.414 263 HA TYR 34 HA TYR 34 1.424 7.264 3.735 264 HB2 TYR 34 HB2 TYR 34 -0.815 6.243 3.542 265 HB3 TYR 34 HB3 TYR 34 -0.185 5.051 2.389 266 HD1 TYR 34 HD1 TYR 34 0.979 3.108 3.185 267 HD2 TYR 34 HD2 TYR 34 0.177 6.387 5.809 268 HE1 TYR 34 HE1 TYR 34 2.294 1.961 4.925 269 HE2 TYR 34 HE2 TYR 34 1.474 5.244 7.633 270 HH TYR 34 HH TYR 34 3.409 3.645 7.696 271 H ALA 35 H ALA 35 1.665 5.170 0.746 272 HA ALA 35 HA ALA 35 3.848 3.695 1.746 273 HB1 ALA 35 HB1 ALA 35 3.209 4.359 -1.152 274 HB2 ALA 35 HB2 ALA 35 4.227 3.031 -0.573 275 HB3 ALA 35 HB3 ALA 35 2.504 3.022 -0.195 276 H ASN 36 H ASN 36 3.815 6.863 0.060 277 HA ASN 36 HA ASN 36 6.560 7.060 -0.460 278 HB2 ASN 36 HB2 ASN 36 4.846 8.608 -1.317 279 HB3 ASN 36 HB3 ASN 36 4.691 9.319 0.297 280 HD21 ASN 36 HD21 ASN 36 8.209 9.922 -1.857 281 HD22 ASN 36 HD22 ASN 36 7.199 8.553 -2.231 282 H ASP 37 H ASP 37 4.924 7.384 2.685 283 HA ASP 37 HA ASP 37 6.905 8.799 4.124 284 HB2 ASP 37 HB2 ASP 37 4.634 8.245 4.972 285 HB3 ASP 37 HB3 ASP 37 5.101 6.524 5.062 286 H ASN 38 H ASN 38 6.817 5.473 3.010 287 HA ASN 38 HA ASN 38 9.084 4.604 4.677 288 HB2 ASN 38 HB2 ASN 38 7.142 3.274 2.811 289 HB3 ASN 38 HB3 ASN 38 8.725 2.528 2.995 290 HD21 ASN 38 HD21 ASN 38 6.153 1.330 5.576 291 HD22 ASN 38 HD22 ASN 38 5.852 1.836 3.919 292 H GLY 39 H GLY 39 9.097 6.683 2.115 293 HA2 GLY 39 HA2 GLY 39 10.703 7.260 0.563 294 HA3 GLY 39 HA3 GLY 39 11.830 6.304 1.551 295 H VAL 40 H VAL 40 8.979 5.057 -0.034 296 HA VAL 40 HA VAL 40 10.352 2.885 -1.235 297 HB VAL 40 HB VAL 40 8.060 2.307 -2.000 298 HG11 VAL 40 HG11 VAL 40 7.049 2.107 0.161 299 HG12 VAL 40 HG12 VAL 40 8.796 1.815 0.315 300 HG13 VAL 40 HG13 VAL 40 8.086 3.367 0.826 301 HG21 VAL 40 HG21 VAL 40 7.350 5.114 -1.018 302 HG22 VAL 40 HG22 VAL 40 7.048 4.405 -2.614 303 HG23 VAL 40 HG23 VAL 40 6.165 3.836 -1.206 304 H ASP 41 H ASP 41 10.692 2.255 -3.174 305 HA ASP 41 HA ASP 41 9.944 3.718 -5.591 306 HB2 ASP 41 HB2 ASP 41 12.240 4.493 -4.853 307 HB3 ASP 41 HB3 ASP 41 12.798 2.817 -4.983 308 H GLY 42 H GLY 42 9.087 1.981 -7.023 309 HA2 GLY 42 HA2 GLY 42 10.081 -0.452 -7.483 310 HA3 GLY 42 HA3 GLY 42 9.279 -0.744 -5.929 311 H GLU 43 H GLU 43 8.354 -2.172 -7.880 312 HA GLU 43 HA GLU 43 6.097 -0.921 -9.252 313 HB2 GLU 43 HB2 GLU 43 5.836 -2.890 -10.500 314 HB3 GLU 43 HB3 GLU 43 7.541 -2.465 -10.521 315 HG2 GLU 43 HG2 GLU 43 7.999 -4.235 -8.834 316 HG3 GLU 43 HG3 GLU 43 6.281 -4.673 -8.841 317 H TRP 44 H TRP 44 3.921 -1.602 -8.998 318 HA TRP 44 HA TRP 44 3.328 -2.690 -6.311 319 HB2 TRP 44 HB2 TRP 44 1.877 -0.818 -8.181 320 HB3 TRP 44 HB3 TRP 44 1.211 -1.409 -6.669 321 HD1 TRP 44 HD1 TRP 44 4.638 0.307 -7.536 322 HE1 TRP 44 HE1 TRP 44 5.211 1.859 -5.665 323 HE3 TRP 44 HE3 TRP 44 0.416 -0.184 -4.634 324 HZ2 TRP 44 HZ2 TRP 44 3.611 3.533 -3.805 325 HZ3 TRP 44 HZ3 TRP 44 -0.047 1.484 -2.911 326 HH2 TRP 44 HH2 TRP 44 1.501 3.372 -2.503 327 H THR 45 H THR 45 2.312 -4.526 -6.092 328 HA THR 45 HA THR 45 0.622 -5.692 -8.241 329 HB THR 45 HB THR 45 2.236 -7.243 -6.183 330 HG1 THR 45 HG1 THR 45 3.739 -6.167 -7.408 331 HG21 THR 45 HG21 THR 45 2.021 -9.108 -7.754 332 HG22 THR 45 HG22 THR 45 0.424 -8.507 -7.293 333 HG23 THR 45 HG23 THR 45 1.106 -8.085 -8.879 334 H TYR 46 H TYR 46 -1.301 -6.922 -7.256 335 HA TYR 46 HA TYR 46 -1.855 -6.255 -4.415 336 HB2 TYR 46 HB2 TYR 46 -2.828 -4.447 -5.537 337 HB3 TYR 46 HB3 TYR 46 -3.413 -5.414 -6.849 338 HD1 TYR 46 HD1 TYR 46 -3.940 -4.814 -3.185 339 HD2 TYR 46 HD2 TYR 46 -5.651 -6.157 -6.906 340 HE1 TYR 46 HE1 TYR 46 -6.198 -4.636 -2.211 341 HE2 TYR 46 HE2 TYR 46 -7.917 -5.992 -5.930 342 HH TYR 46 HH TYR 46 -9.104 -5.788 -3.646 343 H ASP 47 H ASP 47 -3.264 -7.573 -3.346 344 HA ASP 47 HA ASP 47 -4.225 -10.095 -4.632 345 HB2 ASP 47 HB2 ASP 47 -2.708 -9.651 -2.058 346 HB3 ASP 47 HB3 ASP 47 -3.909 -10.941 -2.167 347 H ASP 48 H ASP 48 -6.364 -9.403 -4.866 348 HA ASP 48 HA ASP 48 -7.714 -7.725 -3.033 349 HB2 ASP 48 HB2 ASP 48 -8.487 -8.142 -5.362 350 HB3 ASP 48 HB3 ASP 48 -8.969 -9.776 -4.888 351 H ALA 49 H ALA 49 -7.178 -11.162 -2.843 352 HA ALA 49 HA ALA 49 -9.269 -11.959 -1.159 353 HB1 ALA 49 HB1 ALA 49 -7.644 -13.480 -2.213 354 HB2 ALA 49 HB2 ALA 49 -6.370 -12.916 -1.102 355 HB3 ALA 49 HB3 ALA 49 -7.780 -13.795 -0.474 356 H THR 50 H THR 50 -6.292 -10.264 -0.250 357 HA THR 50 HA THR 50 -7.336 -9.874 2.518 358 HB THR 50 HB THR 50 -5.651 -11.442 2.803 359 HG1 THR 50 HG1 THR 50 -4.770 -8.855 3.237 360 HG21 THR 50 HG21 THR 50 -3.977 -9.990 0.732 361 HG22 THR 50 HG22 THR 50 -3.338 -11.232 1.832 362 HG23 THR 50 HG23 THR 50 -4.598 -11.647 0.676 363 H LYS 51 H LYS 51 -6.743 -8.310 -0.378 364 HA LYS 51 HA LYS 51 -6.563 -6.503 -1.201 365 HB2 LYS 51 HB2 LYS 51 -7.658 -5.575 1.452 366 HB3 LYS 51 HB3 LYS 51 -7.494 -4.534 0.005 367 HG2 LYS 51 HG2 LYS 51 -8.839 -6.203 -1.276 368 HG3 LYS 51 HG3 LYS 51 -9.137 -7.083 0.223 369 HD2 LYS 51 HD2 LYS 51 -10.536 -5.454 1.092 370 HD3 LYS 51 HD3 LYS 51 -9.863 -4.157 0.094 371 HE2 LYS 51 HE2 LYS 51 -12.177 -4.897 -0.522 372 HE3 LYS 51 HE3 LYS 51 -11.012 -4.917 -1.856 373 HZ1 LYS 51 HZ1 LYS 51 -10.940 -7.162 -1.871 374 HZ2 LYS 51 HZ2 LYS 51 -11.494 -7.355 -0.306 375 HZ3 LYS 51 HZ3 LYS 51 -12.521 -6.943 -1.518 376 H THR 52 H THR 52 -4.300 -7.732 0.058 377 HA THR 52 HA THR 52 -2.574 -5.709 1.087 378 HB THR 52 HB THR 52 -2.018 -8.519 0.056 379 HG1 THR 52 HG1 THR 52 -2.023 -8.814 2.430 380 HG21 THR 52 HG21 THR 52 -0.431 -6.711 1.936 381 HG22 THR 52 HG22 THR 52 -0.031 -8.396 1.524 382 HG23 THR 52 HG23 THR 52 0.042 -7.144 0.282 383 H PHE 53 H PHE 53 -1.381 -4.344 0.006 384 HA PHE 53 HA PHE 53 -0.958 -4.625 -2.935 385 HB2 PHE 53 HB2 PHE 53 -1.088 -2.270 -1.017 386 HB3 PHE 53 HB3 PHE 53 -0.440 -2.147 -2.645 387 HD1 PHE 53 HD1 PHE 53 -1.802 -2.283 -4.641 388 HD2 PHE 53 HD2 PHE 53 -3.533 -2.461 -0.688 389 HE1 PHE 53 HE1 PHE 53 -4.037 -1.818 -5.591 390 HE2 PHE 53 HE2 PHE 53 -5.743 -1.955 -1.648 391 HZ PHE 53 HZ PHE 53 -6.012 -1.628 -4.111 392 H THR 54 H THR 54 1.026 -5.579 -3.178 393 HA THR 54 HA THR 54 3.148 -5.185 -1.151 394 HB THR 54 HB THR 54 4.109 -7.161 -2.348 395 HG1 THR 54 HG1 THR 54 3.044 -6.643 -4.355 396 HG21 THR 54 HG21 THR 54 2.569 -8.837 -1.604 397 HG22 THR 54 HG22 THR 54 2.461 -7.510 -0.451 398 HG23 THR 54 HG23 THR 54 1.191 -7.724 -1.676 399 H VAL 55 H VAL 55 5.157 -4.285 -1.694 400 HA VAL 55 HA VAL 55 5.617 -3.377 -4.474 401 HB VAL 55 HB VAL 55 5.726 -1.778 -1.928 402 HG11 VAL 55 HG11 VAL 55 7.300 -1.079 -4.459 403 HG12 VAL 55 HG12 VAL 55 7.057 -0.036 -3.048 404 HG13 VAL 55 HG13 VAL 55 8.011 -1.495 -2.879 405 HG21 VAL 55 HG21 VAL 55 3.762 -1.713 -3.539 406 HG22 VAL 55 HG22 VAL 55 4.560 -0.157 -3.354 407 HG23 VAL 55 HG23 VAL 55 4.900 -1.152 -4.795 408 H THR 56 H THR 56 7.699 -3.654 -5.227 409 HA THR 56 HA THR 56 9.614 -4.945 -3.356 410 HB THR 56 HB THR 56 10.186 -6.459 -5.256 411 HG1 THR 56 HG1 THR 56 9.237 -5.138 -6.875 412 HG21 THR 56 HG21 THR 56 8.657 -7.214 -3.452 413 HG22 THR 56 HG22 THR 56 7.261 -6.647 -4.405 414 HG23 THR 56 HG23 THR 56 8.287 -7.946 -5.023 415 H GLU 57 H GLU 57 11.163 -3.347 -3.108 416 HA GLU 57 HA GLU 57 11.882 -1.560 -5.296 417 HB2 GLU 57 HB2 GLU 57 12.075 -0.949 -2.852 418 HB3 GLU 57 HB3 GLU 57 13.305 -2.188 -2.669 419 HG2 GLU 57 HG2 GLU 57 14.481 -0.792 -4.660 420 HG3 GLU 57 HG3 GLU 57 13.465 0.501 -4.029 Start of MODEL 13 1 H1 MET 1 H MET 1 -16.953 1.184 2.654 2 HA MET 1 HA MET 1 -17.122 0.014 0.453 3 HB2 MET 1 HB2 MET 1 -15.511 1.582 -0.632 4 HB3 MET 1 HB3 MET 1 -14.189 0.844 0.282 5 HG2 MET 1 HG2 MET 1 -14.279 -0.039 -2.009 6 HG3 MET 1 HG3 MET 1 -14.649 -1.325 -0.841 7 HE1 MET 1 HE1 MET 1 -16.347 1.489 -3.082 8 HE2 MET 1 HE2 MET 1 -15.580 0.257 -4.107 9 HE3 MET 1 HE3 MET 1 -17.348 0.429 -4.107 10 H GLY 2 H GLY 2 -13.735 -0.612 1.371 11 HA2 GLY 2 HA2 GLY 2 -14.492 -2.170 3.735 12 HA3 GLY 2 HA3 GLY 2 -13.833 -3.105 2.409 13 H THR 3 H THR 3 -11.974 -3.724 3.497 14 HA THR 3 HA THR 3 -10.056 -1.628 4.385 15 HB THR 3 HB THR 3 -10.917 -3.047 6.237 16 HG1 THR 3 HG1 THR 3 -8.741 -2.303 6.218 17 HG21 THR 3 HG21 THR 3 -11.434 -5.138 5.111 18 HG22 THR 3 HG22 THR 3 -9.738 -5.338 4.622 19 HG23 THR 3 HG23 THR 3 -10.186 -5.442 6.335 20 H TYR 4 H TYR 4 -7.804 -2.078 4.042 21 HA TYR 4 HA TYR 4 -7.146 -4.072 1.969 22 HB2 TYR 4 HB2 TYR 4 -6.348 -1.168 1.619 23 HB3 TYR 4 HB3 TYR 4 -6.226 -2.479 0.455 24 HD1 TYR 4 HD1 TYR 4 -8.379 -3.391 -0.595 25 HD2 TYR 4 HD2 TYR 4 -8.316 0.140 1.890 26 HE1 TYR 4 HE1 TYR 4 -10.619 -2.762 -1.441 27 HE2 TYR 4 HE2 TYR 4 -10.575 0.764 1.037 28 HH TYR 4 HH TYR 4 -12.387 -1.290 -1.248 29 H LYS 5 H LYS 5 -5.238 -5.030 2.343 30 HA LYS 5 HA LYS 5 -3.482 -3.930 4.434 31 HB2 LYS 5 HB2 LYS 5 -4.370 -6.472 3.867 32 HB3 LYS 5 HB3 LYS 5 -2.751 -6.517 3.157 33 HG2 LYS 5 HG2 LYS 5 -2.024 -5.474 5.497 34 HG3 LYS 5 HG3 LYS 5 -3.607 -6.052 6.033 35 HD2 LYS 5 HD2 LYS 5 -2.880 -8.330 4.971 36 HD3 LYS 5 HD3 LYS 5 -1.235 -7.646 5.037 37 HE2 LYS 5 HE2 LYS 5 -1.628 -7.129 7.485 38 HE3 LYS 5 HE3 LYS 5 -3.168 -7.993 7.379 39 HZ1 LYS 5 HZ1 LYS 5 -2.049 -10.009 6.984 40 HZ2 LYS 5 HZ2 LYS 5 -0.611 -9.285 6.651 41 HZ3 LYS 5 HZ3 LYS 5 -1.181 -9.307 8.192 42 H LEU 6 H LEU 6 -1.205 -3.663 4.304 43 HA LEU 6 HA LEU 6 -0.080 -3.241 1.607 44 HB2 LEU 6 HB2 LEU 6 -0.845 -1.187 3.624 45 HB3 LEU 6 HB3 LEU 6 0.789 -1.014 2.991 46 HG LEU 6 HG LEU 6 -1.407 -1.372 0.981 47 HD11 LEU 6 HD11 LEU 6 -2.543 0.268 2.316 48 HD12 LEU 6 HD12 LEU 6 -1.032 1.137 2.660 49 HD13 LEU 6 HD13 LEU 6 -1.725 1.192 1.038 50 HD21 LEU 6 HD21 LEU 6 1.106 0.334 1.157 51 HD22 LEU 6 HD22 LEU 6 0.917 -1.183 0.262 52 HD23 LEU 6 HD23 LEU 6 0.020 0.265 -0.248 53 H ILE 7 H ILE 7 2.205 -3.469 1.541 54 HA ILE 7 HA ILE 7 3.771 -3.156 3.954 55 HB ILE 7 HB ILE 7 3.330 -5.461 4.283 56 HG12 ILE 7 HG12 ILE 7 6.021 -5.375 2.867 57 HG13 ILE 7 HG13 ILE 7 5.708 -4.750 4.492 58 HG21 ILE 7 HG21 ILE 7 2.408 -5.940 1.985 59 HG22 ILE 7 HG22 ILE 7 4.077 -6.088 1.397 60 HG23 ILE 7 HG23 ILE 7 3.473 -7.215 2.608 61 HD11 ILE 7 HD11 ILE 7 5.570 -7.647 3.580 62 HD12 ILE 7 HD12 ILE 7 6.666 -6.911 4.760 63 HD13 ILE 7 HD13 ILE 7 4.944 -7.081 5.149 64 H LEU 8 H LEU 8 5.386 -1.828 3.340 65 HA LEU 8 HA LEU 8 6.285 -1.697 0.561 66 HB2 LEU 8 HB2 LEU 8 7.132 -0.178 3.073 67 HB3 LEU 8 HB3 LEU 8 7.627 0.214 1.429 68 HG LEU 8 HG LEU 8 5.928 1.780 1.957 69 HD11 LEU 8 HD11 LEU 8 4.354 -0.415 0.539 70 HD12 LEU 8 HD12 LEU 8 4.122 1.342 0.420 71 HD13 LEU 8 HD13 LEU 8 5.563 0.598 -0.278 72 HD21 LEU 8 HD21 LEU 8 3.757 -0.072 2.688 73 HD22 LEU 8 HD22 LEU 8 5.113 -0.091 3.825 74 HD23 LEU 8 HD23 LEU 8 4.280 1.437 3.469 75 H ASN 9 H ASN 9 8.265 -2.418 -0.198 76 HA ASN 9 HA ASN 9 10.306 -3.318 1.766 77 HB2 ASN 9 HB2 ASN 9 9.641 -4.557 -0.949 78 HB3 ASN 9 HB3 ASN 9 11.040 -4.980 0.029 79 HD21 ASN 9 HD21 ASN 9 7.364 -6.530 0.835 80 HD22 ASN 9 HD22 ASN 9 7.575 -5.320 -0.425 81 H GLY 10 H GLY 10 11.383 -1.278 1.758 82 HA2 GLY 10 HA2 GLY 10 12.809 -0.637 -0.783 83 HA3 GLY 10 HA3 GLY 10 12.530 0.497 0.524 84 H LYS 11 H LYS 11 14.984 0.567 -0.098 85 HA LYS 11 HA LYS 11 16.733 -1.519 0.156 86 HB2 LYS 11 HB2 LYS 11 17.279 0.726 -0.744 87 HB3 LYS 11 HB3 LYS 11 17.310 1.387 0.895 88 HG2 LYS 11 HG2 LYS 11 19.287 0.053 1.438 89 HG3 LYS 11 HG3 LYS 11 19.086 -0.923 -0.027 90 HD2 LYS 11 HD2 LYS 11 19.592 1.031 -1.432 91 HD3 LYS 11 HD3 LYS 11 19.712 2.060 0.017 92 HE2 LYS 11 HE2 LYS 11 21.533 0.512 0.866 93 HE3 LYS 11 HE3 LYS 11 21.481 -0.329 -0.687 94 HZ1 LYS 11 HZ1 LYS 11 23.220 1.333 -0.681 95 HZ2 LYS 11 HZ2 LYS 11 22.067 1.780 -1.761 96 HZ3 LYS 11 HZ3 LYS 11 22.159 2.533 -0.304 97 H THR 12 H THR 12 16.022 0.646 2.948 98 HA THR 12 HA THR 12 16.550 -1.588 4.805 99 HB THR 12 HB THR 12 18.659 -0.451 4.892 100 HG1 THR 12 HG1 THR 12 17.212 0.793 6.965 101 HG21 THR 12 HG21 THR 12 18.912 1.965 5.241 102 HG22 THR 12 HG22 THR 12 18.009 1.650 3.745 103 HG23 THR 12 HG23 THR 12 17.150 2.171 5.207 104 H LEU 13 H LEU 13 14.133 -0.368 3.729 105 HA LEU 13 HA LEU 13 12.958 0.846 6.158 106 HB2 LEU 13 HB2 LEU 13 12.835 1.917 3.301 107 HB3 LEU 13 HB3 LEU 13 11.800 2.486 4.607 108 HG LEU 13 HG LEU 13 14.832 2.650 4.765 109 HD11 LEU 13 HD11 LEU 13 13.719 3.961 2.768 110 HD12 LEU 13 HD12 LEU 13 13.086 5.016 4.048 111 HD13 LEU 13 HD13 LEU 13 14.830 4.831 3.847 112 HD21 LEU 13 HD21 LEU 13 13.719 2.824 6.902 113 HD22 LEU 13 HD22 LEU 13 14.265 4.441 6.427 114 HD23 LEU 13 HD23 LEU 13 12.551 4.001 6.262 115 H LYS 14 H LYS 14 11.597 -0.791 6.700 116 HA LYS 14 HA LYS 14 9.626 -1.654 4.634 117 HB2 LYS 14 HB2 LYS 14 10.824 -3.453 6.785 118 HB3 LYS 14 HB3 LYS 14 9.746 -3.943 5.474 119 HG2 LYS 14 HG2 LYS 14 11.614 -3.096 3.872 120 HG3 LYS 14 HG3 LYS 14 12.633 -2.961 5.314 121 HD2 LYS 14 HD2 LYS 14 12.229 -5.387 5.783 122 HD3 LYS 14 HD3 LYS 14 11.292 -5.492 4.270 123 HE2 LYS 14 HE2 LYS 14 13.160 -5.281 2.925 124 HE3 LYS 14 HE3 LYS 14 14.012 -4.250 4.081 125 HZ1 LYS 14 HZ1 LYS 14 15.175 -6.205 4.255 126 HZ2 LYS 14 HZ2 LYS 14 14.077 -6.452 5.454 127 HZ3 LYS 14 HZ3 LYS 14 13.874 -7.176 3.993 128 H GLY 15 H GLY 15 7.861 -3.167 6.018 129 HA2 GLY 15 HA2 GLY 15 6.701 -2.825 8.310 130 HA3 GLY 15 HA3 GLY 15 6.565 -1.158 7.789 131 H GLU 16 H GLU 16 4.609 -3.473 8.323 132 HA GLU 16 HA GLU 16 2.972 -3.260 5.854 133 HB2 GLU 16 HB2 GLU 16 2.043 -5.390 6.388 134 HB3 GLU 16 HB3 GLU 16 3.797 -5.575 6.488 135 HG2 GLU 16 HG2 GLU 16 3.467 -5.147 9.052 136 HG3 GLU 16 HG3 GLU 16 1.754 -5.467 8.729 137 H THR 17 H THR 17 0.527 -3.414 6.507 138 HA THR 17 HA THR 17 -0.393 -2.203 8.913 139 HB THR 17 HB THR 17 0.957 -0.300 7.712 140 HG1 THR 17 HG1 THR 17 -0.693 1.161 8.380 141 HG21 THR 17 HG21 THR 17 -0.563 1.021 6.154 142 HG22 THR 17 HG22 THR 17 0.135 -0.473 5.452 143 HG23 THR 17 HG23 THR 17 -1.548 -0.217 5.809 144 H THR 18 H THR 18 -2.685 -1.702 8.793 145 HA THR 18 HA THR 18 -4.103 -2.614 6.341 146 HB THR 18 HB THR 18 -4.550 -4.204 8.135 147 HG1 THR 18 HG1 THR 18 -6.691 -4.080 7.967 148 HG21 THR 18 HG21 THR 18 -5.097 -3.704 10.317 149 HG22 THR 18 HG22 THR 18 -4.079 -2.297 9.954 150 HG23 THR 18 HG23 THR 18 -5.846 -2.154 9.888 151 H THR 19 H THR 19 -5.710 -1.326 5.560 152 HA THR 19 HA THR 19 -6.221 1.291 6.874 153 HB THR 19 HB THR 19 -6.283 2.266 4.537 154 HG1 THR 19 HG1 THR 19 -5.601 -0.337 3.998 155 HG21 THR 19 HG21 THR 19 -3.917 2.662 4.364 156 HG22 THR 19 HG22 THR 19 -4.293 2.517 6.093 157 HG23 THR 19 HG23 THR 19 -3.543 1.160 5.232 158 H GLU 20 H GLU 20 -8.254 2.251 6.328 159 HA GLU 20 HA GLU 20 -10.281 0.510 5.056 160 HB2 GLU 20 HB2 GLU 20 -10.313 1.854 7.762 161 HB3 GLU 20 HB3 GLU 20 -11.825 1.589 6.890 162 HG2 GLU 20 HG2 GLU 20 -11.457 -0.832 6.911 163 HG3 GLU 20 HG3 GLU 20 -9.826 -0.613 7.571 164 H ALA 21 H ALA 21 -12.057 1.779 4.120 165 HA ALA 21 HA ALA 21 -11.765 4.641 3.746 166 HB1 ALA 21 HB1 ALA 21 -11.066 4.661 1.492 167 HB2 ALA 21 HB2 ALA 21 -10.030 3.402 2.198 168 HB3 ALA 21 HB3 ALA 21 -11.454 2.943 1.251 169 H VAL 22 H VAL 22 -13.575 5.552 2.672 170 HA VAL 22 HA VAL 22 -16.020 3.950 2.823 171 HB VAL 22 HB VAL 22 -17.121 6.221 2.443 172 HG11 VAL 22 HG11 VAL 22 -15.322 6.115 4.895 173 HG12 VAL 22 HG12 VAL 22 -16.848 6.995 4.711 174 HG13 VAL 22 HG13 VAL 22 -16.851 5.226 4.724 175 HG21 VAL 22 HG21 VAL 22 -14.250 7.142 2.557 176 HG22 VAL 22 HG22 VAL 22 -15.517 7.558 1.390 177 HG23 VAL 22 HG23 VAL 22 -15.590 8.209 3.035 178 H ASP 23 H ASP 23 -14.084 5.765 0.432 179 HA ASP 23 HA ASP 23 -15.318 4.206 -1.756 180 HB2 ASP 23 HB2 ASP 23 -16.204 6.603 -1.629 181 HB3 ASP 23 HB3 ASP 23 -14.557 7.142 -1.955 182 H ALA 24 H ALA 24 -13.800 4.061 -3.657 183 HA ALA 24 HA ALA 24 -11.236 3.180 -2.561 184 HB1 ALA 24 HB1 ALA 24 -12.737 2.767 -5.241 185 HB2 ALA 24 HB2 ALA 24 -11.136 2.042 -4.828 186 HB3 ALA 24 HB3 ALA 24 -12.524 1.585 -3.866 187 H ALA 25 H ALA 25 -12.478 5.847 -4.390 188 HA ALA 25 HA ALA 25 -10.129 6.717 -5.746 189 HB1 ALA 25 HB1 ALA 25 -12.360 7.586 -6.277 190 HB2 ALA 25 HB2 ALA 25 -12.540 8.232 -4.631 191 HB3 ALA 25 HB3 ALA 25 -11.331 8.926 -5.722 192 H THR 26 H THR 26 -11.445 7.503 -2.479 193 HA THR 26 HA THR 26 -9.386 8.983 -1.351 194 HB THR 26 HB THR 26 -10.794 6.687 0.056 195 HG1 THR 26 HG1 THR 26 -12.430 8.249 0.449 196 HG21 THR 26 HG21 THR 26 -10.494 7.888 2.053 197 HG22 THR 26 HG22 THR 26 -8.962 8.151 1.197 198 HG23 THR 26 HG23 THR 26 -10.203 9.416 1.201 199 H ALA 27 H ALA 27 -9.636 5.392 -1.375 200 HA ALA 27 HA ALA 27 -7.246 4.886 0.020 201 HB1 ALA 27 HB1 ALA 27 -8.900 3.212 -1.925 202 HB2 ALA 27 HB2 ALA 27 -7.564 2.557 -0.954 203 HB3 ALA 27 HB3 ALA 27 -8.998 3.215 -0.150 204 H GLU 28 H GLU 28 -7.883 4.989 -3.520 205 HA GLU 28 HA GLU 28 -5.411 4.245 -4.552 206 HB2 GLU 28 HB2 GLU 28 -7.436 4.516 -5.881 207 HB3 GLU 28 HB3 GLU 28 -7.492 6.248 -5.534 208 HG2 GLU 28 HG2 GLU 28 -5.815 6.730 -7.069 209 HG3 GLU 28 HG3 GLU 28 -5.002 5.176 -6.824 210 H LYS 29 H LYS 29 -6.547 7.454 -3.410 211 HA LYS 29 HA LYS 29 -4.054 8.753 -4.082 212 HB2 LYS 29 HB2 LYS 29 -6.492 9.660 -2.494 213 HB3 LYS 29 HB3 LYS 29 -5.133 10.722 -2.876 214 HG2 LYS 29 HG2 LYS 29 -5.589 10.452 -5.291 215 HG3 LYS 29 HG3 LYS 29 -6.791 9.197 -4.947 216 HD2 LYS 29 HD2 LYS 29 -8.017 11.018 -3.563 217 HD3 LYS 29 HD3 LYS 29 -6.951 12.177 -4.398 218 HE2 LYS 29 HE2 LYS 29 -7.724 11.360 -6.587 219 HE3 LYS 29 HE3 LYS 29 -8.710 10.116 -5.809 220 HZ1 LYS 29 HZ1 LYS 29 -9.117 13.032 -5.444 221 HZ2 LYS 29 HZ2 LYS 29 -9.993 12.095 -6.471 222 HZ3 LYS 29 HZ3 LYS 29 -10.078 11.835 -4.851 223 H VAL 30 H VAL 30 -5.222 7.289 -1.096 224 HA VAL 30 HA VAL 30 -3.257 8.199 0.700 225 HB VAL 30 HB VAL 30 -5.281 6.081 0.604 226 HG11 VAL 30 HG11 VAL 30 -2.739 5.440 2.159 227 HG12 VAL 30 HG12 VAL 30 -4.303 4.634 2.367 228 HG13 VAL 30 HG13 VAL 30 -3.445 4.498 0.825 229 HG21 VAL 30 HG21 VAL 30 -5.622 6.644 2.919 230 HG22 VAL 30 HG22 VAL 30 -4.075 7.515 2.993 231 HG23 VAL 30 HG23 VAL 30 -5.405 8.159 2.001 232 H PHE 31 H PHE 31 -3.211 5.586 -1.732 233 HA PHE 31 HA PHE 31 -0.994 4.126 -0.904 234 HB2 PHE 31 HB2 PHE 31 -2.016 4.727 -3.712 235 HB3 PHE 31 HB3 PHE 31 -0.833 3.483 -3.337 236 HD1 PHE 31 HD1 PHE 31 -2.370 2.821 -0.569 237 HD2 PHE 31 HD2 PHE 31 -3.549 3.112 -4.707 238 HE1 PHE 31 HE1 PHE 31 -4.280 1.297 -0.134 239 HE2 PHE 31 HE2 PHE 31 -5.460 1.589 -4.266 240 HZ PHE 31 HZ PHE 31 -5.830 0.682 -1.980 241 H LYS 32 H LYS 32 -1.099 7.157 -2.755 242 HA LYS 32 HA LYS 32 1.777 7.084 -3.265 243 HB2 LYS 32 HB2 LYS 32 -0.054 7.912 -4.868 244 HB3 LYS 32 HB3 LYS 32 -0.135 9.374 -3.878 245 HG2 LYS 32 HG2 LYS 32 2.254 9.842 -4.388 246 HG3 LYS 32 HG3 LYS 32 2.390 8.288 -5.226 247 HD2 LYS 32 HD2 LYS 32 0.332 9.305 -6.628 248 HD3 LYS 32 HD3 LYS 32 1.069 10.838 -6.098 249 HE2 LYS 32 HE2 LYS 32 3.250 10.137 -7.004 250 HE3 LYS 32 HE3 LYS 32 2.591 8.558 -7.450 251 HZ1 LYS 32 HZ1 LYS 32 1.538 11.096 -8.553 252 HZ2 LYS 32 HZ2 LYS 32 2.719 10.228 -9.293 253 HZ3 LYS 32 HZ3 LYS 32 1.227 9.573 -9.087 254 H GLN 33 H GLN 33 -0.170 8.421 -0.727 255 HA GLN 33 HA GLN 33 1.923 10.289 0.156 256 HB2 GLN 33 HB2 GLN 33 -0.366 11.047 0.317 257 HB3 GLN 33 HB3 GLN 33 -0.875 9.559 1.125 258 HG2 GLN 33 HG2 GLN 33 0.969 10.380 2.921 259 HG3 GLN 33 HG3 GLN 33 0.555 11.955 2.232 260 HE21 GLN 33 HE21 GLN 33 -2.553 9.985 4.042 261 HE22 GLN 33 HE22 GLN 33 -1.485 9.028 3.014 262 H TYR 34 H TYR 34 0.097 7.475 1.544 263 HA TYR 34 HA TYR 34 1.451 7.194 3.922 264 HB2 TYR 34 HB2 TYR 34 -0.462 5.880 3.645 265 HB3 TYR 34 HB3 TYR 34 0.050 5.270 2.077 266 HD1 TYR 34 HD1 TYR 34 0.830 3.048 1.987 267 HD2 TYR 34 HD2 TYR 34 1.139 5.239 5.686 268 HE1 TYR 34 HE1 TYR 34 1.757 1.027 3.093 269 HE2 TYR 34 HE2 TYR 34 2.080 3.212 6.801 270 HH TYR 34 HH TYR 34 2.367 0.897 6.589 271 H ALA 35 H ALA 35 2.458 5.778 0.767 272 HA ALA 35 HA ALA 35 4.480 4.095 1.987 273 HB1 ALA 35 HB1 ALA 35 3.754 4.664 -0.926 274 HB2 ALA 35 HB2 ALA 35 4.837 3.364 -0.367 275 HB3 ALA 35 HB3 ALA 35 3.114 3.330 0.071 276 H ASN 36 H ASN 36 4.442 7.023 -0.078 277 HA ASN 36 HA ASN 36 7.118 7.511 -0.519 278 HB2 ASN 36 HB2 ASN 36 5.297 8.899 -1.421 279 HB3 ASN 36 HB3 ASN 36 4.883 9.462 0.195 280 HD21 ASN 36 HD21 ASN 36 7.977 11.139 -1.893 281 HD22 ASN 36 HD22 ASN 36 7.222 9.657 -2.471 282 H ASP 37 H ASP 37 5.327 7.853 2.546 283 HA ASP 37 HA ASP 37 7.269 9.347 4.021 284 HB2 ASP 37 HB2 ASP 37 4.804 9.228 4.489 285 HB3 ASP 37 HB3 ASP 37 5.007 7.544 4.971 286 H ASN 38 H ASN 38 7.014 6.015 3.059 287 HA ASN 38 HA ASN 38 8.862 5.062 5.165 288 HB2 ASN 38 HB2 ASN 38 6.564 3.933 4.393 289 HB3 ASN 38 HB3 ASN 38 7.569 3.274 3.105 290 HD21 ASN 38 HD21 ASN 38 7.408 1.035 6.187 291 HD22 ASN 38 HD22 ASN 38 6.145 1.873 5.291 292 H GLY 39 H GLY 39 8.824 6.154 1.888 293 HA2 GLY 39 HA2 GLY 39 10.701 6.638 0.607 294 HA3 GLY 39 HA3 GLY 39 11.690 5.632 1.644 295 H VAL 40 H VAL 40 9.242 5.535 -0.926 296 HA VAL 40 HA VAL 40 10.141 2.839 -1.781 297 HB VAL 40 HB VAL 40 7.822 2.340 -2.436 298 HG11 VAL 40 HG11 VAL 40 6.757 2.488 -0.011 299 HG12 VAL 40 HG12 VAL 40 8.119 1.408 -0.353 300 HG13 VAL 40 HG13 VAL 40 8.410 2.960 0.444 301 HG21 VAL 40 HG21 VAL 40 6.820 4.789 -0.996 302 HG22 VAL 40 HG22 VAL 40 7.224 4.843 -2.721 303 HG23 VAL 40 HG23 VAL 40 5.968 3.735 -2.148 304 H ASP 41 H ASP 41 10.489 2.562 -3.975 305 HA ASP 41 HA ASP 41 9.309 4.373 -5.947 306 HB2 ASP 41 HB2 ASP 41 11.538 5.361 -5.420 307 HB3 ASP 41 HB3 ASP 41 12.301 3.819 -5.806 308 H GLY 42 H GLY 42 8.069 2.172 -5.858 309 HA2 GLY 42 HA2 GLY 42 9.617 -0.070 -7.084 310 HA3 GLY 42 HA3 GLY 42 8.492 -0.281 -5.759 311 H GLU 43 H GLU 43 6.915 -1.530 -6.621 312 HA GLU 43 HA GLU 43 5.253 -0.624 -8.828 313 HB2 GLU 43 HB2 GLU 43 5.639 -2.531 -10.236 314 HB3 GLU 43 HB3 GLU 43 7.206 -1.772 -9.935 315 HG2 GLU 43 HG2 GLU 43 7.569 -3.532 -8.109 316 HG3 GLU 43 HG3 GLU 43 6.092 -4.320 -8.688 317 H TRP 44 H TRP 44 3.184 -1.735 -8.756 318 HA TRP 44 HA TRP 44 2.727 -2.668 -5.968 319 HB2 TRP 44 HB2 TRP 44 1.278 -0.684 -7.736 320 HB3 TRP 44 HB3 TRP 44 0.461 -1.448 -6.377 321 HD1 TRP 44 HD1 TRP 44 3.847 0.395 -6.895 322 HE1 TRP 44 HE1 TRP 44 4.186 2.077 -4.987 323 HE3 TRP 44 HE3 TRP 44 -0.416 -0.548 -4.219 324 HZ2 TRP 44 HZ2 TRP 44 2.754 2.959 -2.637 325 HZ3 TRP 44 HZ3 TRP 44 -0.912 0.746 -2.165 326 HH2 TRP 44 HH2 TRP 44 0.657 2.496 -1.363 327 H THR 45 H THR 45 1.702 -4.551 -5.665 328 HA THR 45 HA THR 45 0.373 -5.900 -7.957 329 HB THR 45 HB THR 45 2.380 -7.154 -6.039 330 HG1 THR 45 HG1 THR 45 3.258 -5.765 -7.687 331 HG21 THR 45 HG21 THR 45 2.246 -9.039 -7.807 332 HG22 THR 45 HG22 THR 45 0.902 -8.889 -6.658 333 HG23 THR 45 HG23 THR 45 0.727 -8.275 -8.313 334 H TYR 46 H TYR 46 -1.601 -6.555 -7.464 335 HA TYR 46 HA TYR 46 -2.447 -6.411 -4.631 336 HB2 TYR 46 HB2 TYR 46 -3.543 -4.909 -6.265 337 HB3 TYR 46 HB3 TYR 46 -4.035 -6.298 -7.226 338 HD1 TYR 46 HD1 TYR 46 -4.335 -4.869 -3.745 339 HD2 TYR 46 HD2 TYR 46 -6.150 -7.236 -6.857 340 HE1 TYR 46 HE1 TYR 46 -6.445 -4.956 -2.438 341 HE2 TYR 46 HE2 TYR 46 -8.274 -7.327 -5.549 342 HH TYR 46 HH TYR 46 -9.364 -6.653 -3.672 343 H ASP 47 H ASP 47 -2.635 -8.298 -3.541 344 HA ASP 47 HA ASP 47 -3.870 -10.665 -4.803 345 HB2 ASP 47 HB2 ASP 47 -2.507 -10.152 -2.134 346 HB3 ASP 47 HB3 ASP 47 -3.410 -11.627 -2.477 347 H ASP 48 H ASP 48 -6.042 -10.812 -4.763 348 HA ASP 48 HA ASP 48 -7.708 -8.846 -3.487 349 HB2 ASP 48 HB2 ASP 48 -8.062 -9.816 -5.779 350 HB3 ASP 48 HB3 ASP 48 -8.417 -11.372 -5.031 351 H ALA 49 H ALA 49 -6.259 -11.692 -2.347 352 HA ALA 49 HA ALA 49 -8.400 -13.033 -1.029 353 HB1 ALA 49 HB1 ALA 49 -6.270 -14.123 -1.671 354 HB2 ALA 49 HB2 ALA 49 -5.379 -13.078 -0.541 355 HB3 ALA 49 HB3 ALA 49 -6.540 -14.264 0.081 356 H THR 50 H THR 50 -5.645 -11.304 0.540 357 HA THR 50 HA THR 50 -7.457 -10.235 2.633 358 HB THR 50 HB THR 50 -5.685 -11.136 3.809 359 HG1 THR 50 HG1 THR 50 -4.956 -8.530 3.014 360 HG21 THR 50 HG21 THR 50 -3.972 -10.534 1.384 361 HG22 THR 50 HG22 THR 50 -3.251 -10.902 2.965 362 HG23 THR 50 HG23 THR 50 -4.298 -12.091 2.168 363 H LYS 51 H LYS 51 -7.037 -9.385 -0.286 364 HA LYS 51 HA LYS 51 -6.745 -7.480 -1.522 365 HB2 LYS 51 HB2 LYS 51 -7.823 -6.092 0.971 366 HB3 LYS 51 HB3 LYS 51 -7.935 -5.511 -0.695 367 HG2 LYS 51 HG2 LYS 51 -9.249 -7.737 -1.145 368 HG3 LYS 51 HG3 LYS 51 -9.319 -7.887 0.618 369 HD2 LYS 51 HD2 LYS 51 -10.666 -5.973 0.856 370 HD3 LYS 51 HD3 LYS 51 -10.187 -5.321 -0.730 371 HE2 LYS 51 HE2 LYS 51 -11.317 -7.396 -1.758 372 HE3 LYS 51 HE3 LYS 51 -12.000 -7.707 -0.157 373 HZ1 LYS 51 HZ1 LYS 51 -13.021 -5.485 -0.263 374 HZ2 LYS 51 HZ2 LYS 51 -12.441 -5.269 -1.784 375 HZ3 LYS 51 HZ3 LYS 51 -13.547 -6.446 -1.490 376 H THR 52 H THR 52 -4.302 -8.258 -0.638 377 HA THR 52 HA THR 52 -2.942 -6.117 0.846 378 HB THR 52 HB THR 52 -2.071 -8.863 -0.139 379 HG1 THR 52 HG1 THR 52 -2.579 -9.447 1.804 380 HG21 THR 52 HG21 THR 52 -0.470 -6.795 1.426 381 HG22 THR 52 HG22 THR 52 -0.023 -8.503 1.241 382 HG23 THR 52 HG23 THR 52 -0.098 -7.447 -0.181 383 H PHE 53 H PHE 53 -1.796 -4.540 -0.076 384 HA PHE 53 HA PHE 53 -0.779 -4.865 -2.837 385 HB2 PHE 53 HB2 PHE 53 -1.041 -2.468 -0.979 386 HB3 PHE 53 HB3 PHE 53 -0.177 -2.405 -2.507 387 HD1 PHE 53 HD1 PHE 53 -1.453 -2.576 -4.665 388 HD2 PHE 53 HD2 PHE 53 -3.453 -2.607 -0.844 389 HE1 PHE 53 HE1 PHE 53 -3.624 -2.166 -5.797 390 HE2 PHE 53 HE2 PHE 53 -5.624 -2.200 -1.981 391 HZ PHE 53 HZ PHE 53 -5.712 -1.983 -4.457 392 H THR 54 H THR 54 1.013 -6.151 -2.731 393 HA THR 54 HA THR 54 3.184 -5.610 -0.810 394 HB THR 54 HB THR 54 2.799 -7.745 -2.949 395 HG1 THR 54 HG1 THR 54 1.709 -8.522 -1.333 396 HG21 THR 54 HG21 THR 54 4.814 -8.816 -2.140 397 HG22 THR 54 HG22 THR 54 5.219 -7.149 -2.597 398 HG23 THR 54 HG23 THR 54 5.023 -7.579 -0.887 399 H VAL 55 H VAL 55 4.734 -4.240 -1.253 400 HA VAL 55 HA VAL 55 5.226 -3.388 -4.052 401 HB VAL 55 HB VAL 55 5.278 -1.855 -1.438 402 HG11 VAL 55 HG11 VAL 55 6.665 -1.069 -4.021 403 HG12 VAL 55 HG12 VAL 55 6.117 0.117 -2.824 404 HG13 VAL 55 HG13 VAL 55 7.321 -1.096 -2.369 405 HG21 VAL 55 HG21 VAL 55 3.129 -1.917 -2.605 406 HG22 VAL 55 HG22 VAL 55 3.818 -0.284 -2.604 407 HG23 VAL 55 HG23 VAL 55 3.886 -1.264 -4.077 408 H THR 56 H THR 56 7.153 -3.946 -4.883 409 HA THR 56 HA THR 56 9.519 -4.240 -3.100 410 HB THR 56 HB THR 56 10.489 -5.543 -5.054 411 HG1 THR 56 HG1 THR 56 9.148 -5.030 -6.698 412 HG21 THR 56 HG21 THR 56 9.628 -6.748 -3.073 413 HG22 THR 56 HG22 THR 56 7.998 -6.735 -3.777 414 HG23 THR 56 HG23 THR 56 9.300 -7.643 -4.569 415 H GLU 57 H GLU 57 11.126 -2.786 -3.332 416 HA GLU 57 HA GLU 57 11.467 -1.033 -5.641 417 HB2 GLU 57 HB2 GLU 57 11.849 -0.576 -3.072 418 HB3 GLU 57 HB3 GLU 57 13.367 -1.441 -3.314 419 HG2 GLU 57 HG2 GLU 57 13.613 0.313 -5.337 420 HG3 GLU 57 HG3 GLU 57 12.470 1.237 -4.360 Start of MODEL 14 1 H1 MET 1 H MET 1 -16.525 0.633 2.076 2 HA MET 1 HA MET 1 -16.383 -0.068 -0.226 3 HB2 MET 1 HB2 MET 1 -14.760 1.786 -0.798 4 HB3 MET 1 HB3 MET 1 -13.458 0.794 -0.167 5 HG2 MET 1 HG2 MET 1 -13.700 0.530 -2.604 6 HG3 MET 1 HG3 MET 1 -14.041 -0.987 -1.779 7 HE1 MET 1 HE1 MET 1 -16.522 2.209 -2.345 8 HE2 MET 1 HE2 MET 1 -15.508 2.050 -3.807 9 HE3 MET 1 HE3 MET 1 -17.241 1.674 -3.872 10 H GLY 2 H GLY 2 -13.004 -0.719 1.130 11 HA2 GLY 2 HA2 GLY 2 -14.008 -2.981 2.585 12 HA3 GLY 2 HA3 GLY 2 -13.111 -3.359 1.084 13 H THR 3 H THR 3 -12.018 -4.077 3.535 14 HA THR 3 HA THR 3 -10.230 -1.956 4.390 15 HB THR 3 HB THR 3 -11.084 -3.498 6.036 16 HG1 THR 3 HG1 THR 3 -8.975 -2.634 6.254 17 HG21 THR 3 HG21 THR 3 -11.326 -5.579 4.708 18 HG22 THR 3 HG22 THR 3 -9.562 -5.737 4.631 19 HG23 THR 3 HG23 THR 3 -10.404 -5.842 6.192 20 H TYR 4 H TYR 4 -7.892 -1.937 3.814 21 HA TYR 4 HA TYR 4 -7.137 -3.916 1.724 22 HB2 TYR 4 HB2 TYR 4 -6.651 -0.923 1.541 23 HB3 TYR 4 HB3 TYR 4 -6.038 -2.145 0.443 24 HD1 TYR 4 HD1 TYR 4 -7.719 -3.442 -1.065 25 HD2 TYR 4 HD2 TYR 4 -8.822 0.102 1.127 26 HE1 TYR 4 HE1 TYR 4 -9.690 -3.129 -2.517 27 HE2 TYR 4 HE2 TYR 4 -10.727 0.440 -0.324 28 HH TYR 4 HH TYR 4 -11.312 -1.391 -3.240 29 H LYS 5 H LYS 5 -5.025 -4.726 1.986 30 HA LYS 5 HA LYS 5 -3.651 -3.610 4.438 31 HB2 LYS 5 HB2 LYS 5 -3.835 -6.271 3.122 32 HB3 LYS 5 HB3 LYS 5 -2.196 -5.781 3.524 33 HG2 LYS 5 HG2 LYS 5 -3.112 -5.275 5.895 34 HG3 LYS 5 HG3 LYS 5 -4.531 -6.206 5.396 35 HD2 LYS 5 HD2 LYS 5 -3.435 -8.142 5.803 36 HD3 LYS 5 HD3 LYS 5 -2.149 -7.704 4.678 37 HE2 LYS 5 HE2 LYS 5 -1.167 -6.257 6.564 38 HE3 LYS 5 HE3 LYS 5 -2.281 -7.082 7.652 39 HZ1 LYS 5 HZ1 LYS 5 -1.218 -9.174 7.013 40 HZ2 LYS 5 HZ2 LYS 5 -0.202 -8.369 5.984 41 HZ3 LYS 5 HZ3 LYS 5 -0.091 -8.079 7.575 42 H LEU 6 H LEU 6 -1.596 -2.709 4.241 43 HA LEU 6 HA LEU 6 -0.486 -2.431 1.499 44 HB2 LEU 6 HB2 LEU 6 -1.699 -0.340 2.911 45 HB3 LEU 6 HB3 LEU 6 0.033 -0.071 3.185 46 HG LEU 6 HG LEU 6 -1.255 -0.520 0.446 47 HD11 LEU 6 HD11 LEU 6 -2.025 1.578 1.431 48 HD12 LEU 6 HD12 LEU 6 -0.354 2.082 1.735 49 HD13 LEU 6 HD13 LEU 6 -0.934 1.867 0.067 50 HD21 LEU 6 HD21 LEU 6 1.540 0.461 1.171 51 HD22 LEU 6 HD22 LEU 6 1.166 -1.144 0.506 52 HD23 LEU 6 HD23 LEU 6 0.890 0.285 -0.464 53 H ILE 7 H ILE 7 1.399 -3.494 1.474 54 HA ILE 7 HA ILE 7 3.322 -3.291 3.736 55 HB ILE 7 HB ILE 7 2.293 -5.501 3.798 56 HG12 ILE 7 HG12 ILE 7 5.094 -5.851 2.638 57 HG13 ILE 7 HG13 ILE 7 4.798 -5.091 4.194 58 HG21 ILE 7 HG21 ILE 7 1.691 -5.664 1.329 59 HG22 ILE 7 HG22 ILE 7 3.376 -6.083 1.017 60 HG23 ILE 7 HG23 ILE 7 2.382 -7.128 2.029 61 HD11 ILE 7 HD11 ILE 7 3.977 -7.931 3.495 62 HD12 ILE 7 HD12 ILE 7 5.330 -7.436 4.533 63 HD13 ILE 7 HD13 ILE 7 3.661 -7.092 5.011 64 H LEU 8 H LEU 8 5.203 -2.511 3.259 65 HA LEU 8 HA LEU 8 6.013 -2.320 0.390 66 HB2 LEU 8 HB2 LEU 8 6.679 -0.423 2.655 67 HB3 LEU 8 HB3 LEU 8 7.150 -0.261 0.983 68 HG LEU 8 HG LEU 8 5.485 1.335 1.369 69 HD11 LEU 8 HD11 LEU 8 4.144 -0.984 -0.086 70 HD12 LEU 8 HD12 LEU 8 3.688 0.717 -0.215 71 HD13 LEU 8 HD13 LEU 8 5.275 0.180 -0.787 72 HD21 LEU 8 HD21 LEU 8 3.407 -0.634 2.314 73 HD22 LEU 8 HD22 LEU 8 4.494 0.203 3.430 74 HD23 LEU 8 HD23 LEU 8 3.419 1.136 2.388 75 H ASN 9 H ASN 9 8.054 -2.952 -0.126 76 HA ASN 9 HA ASN 9 9.870 -3.726 2.105 77 HB2 ASN 9 HB2 ASN 9 8.983 -5.381 -0.220 78 HB3 ASN 9 HB3 ASN 9 10.670 -5.481 0.279 79 HD21 ASN 9 HD21 ASN 9 7.840 -7.084 2.723 80 HD22 ASN 9 HD22 ASN 9 7.466 -6.416 1.159 81 H GLY 10 H GLY 10 10.432 -1.424 1.796 82 HA2 GLY 10 HA2 GLY 10 11.786 -0.567 -0.580 83 HA3 GLY 10 HA3 GLY 10 11.843 0.184 1.027 84 H LYS 11 H LYS 11 14.169 -0.062 -0.533 85 HA LYS 11 HA LYS 11 15.730 -2.391 -0.102 86 HB2 LYS 11 HB2 LYS 11 16.423 -0.807 -1.669 87 HB3 LYS 11 HB3 LYS 11 16.418 0.526 -0.498 88 HG2 LYS 11 HG2 LYS 11 18.419 -0.528 0.613 89 HG3 LYS 11 HG3 LYS 11 18.410 -1.791 -0.650 90 HD2 LYS 11 HD2 LYS 11 18.600 -0.031 -2.369 91 HD3 LYS 11 HD3 LYS 11 18.573 1.225 -1.114 92 HE2 LYS 11 HE2 LYS 11 20.690 0.179 -0.169 93 HE3 LYS 11 HE3 LYS 11 20.723 -0.864 -1.597 94 HZ1 LYS 11 HZ1 LYS 11 22.058 0.983 -2.067 95 HZ2 LYS 11 HZ2 LYS 11 20.653 1.265 -2.916 96 HZ3 LYS 11 HZ3 LYS 11 20.973 2.076 -1.526 97 H THR 12 H THR 12 15.550 0.562 1.998 98 HA THR 12 HA THR 12 16.689 -1.181 4.108 99 HB THR 12 HB THR 12 18.169 0.583 2.901 100 HG1 THR 12 HG1 THR 12 18.332 -0.751 5.125 101 HG21 THR 12 HG21 THR 12 18.445 2.660 4.065 102 HG22 THR 12 HG22 THR 12 16.822 2.553 3.374 103 HG23 THR 12 HG23 THR 12 17.061 2.307 5.122 104 H LEU 13 H LEU 13 13.891 0.597 3.402 105 HA LEU 13 HA LEU 13 13.213 0.554 6.281 106 HB2 LEU 13 HB2 LEU 13 12.540 2.717 4.262 107 HB3 LEU 13 HB3 LEU 13 11.662 2.479 5.746 108 HG LEU 13 HG LEU 13 14.463 2.558 6.456 109 HD11 LEU 13 HD11 LEU 13 14.854 3.770 4.344 110 HD12 LEU 13 HD12 LEU 13 13.606 4.949 4.774 111 HD13 LEU 13 HD13 LEU 13 15.088 4.821 5.751 112 HD21 LEU 13 HD21 LEU 13 12.572 3.179 7.916 113 HD22 LEU 13 HD22 LEU 13 13.780 4.466 7.808 114 HD23 LEU 13 HD23 LEU 13 12.271 4.610 6.902 115 H LYS 14 H LYS 14 11.288 -0.386 6.659 116 HA LYS 14 HA LYS 14 9.579 -1.227 4.369 117 HB2 LYS 14 HB2 LYS 14 10.693 -3.105 6.496 118 HB3 LYS 14 HB3 LYS 14 9.588 -3.552 5.194 119 HG2 LYS 14 HG2 LYS 14 11.359 -3.042 3.534 120 HG3 LYS 14 HG3 LYS 14 12.486 -2.643 4.843 121 HD2 LYS 14 HD2 LYS 14 12.445 -4.864 5.724 122 HD3 LYS 14 HD3 LYS 14 11.089 -5.329 4.686 123 HE2 LYS 14 HE2 LYS 14 12.579 -4.760 2.678 124 HE3 LYS 14 HE3 LYS 14 13.914 -4.560 3.825 125 HZ1 LYS 14 HZ1 LYS 14 14.057 -6.701 3.054 126 HZ2 LYS 14 HZ2 LYS 14 13.363 -6.909 4.534 127 HZ3 LYS 14 HZ3 LYS 14 12.450 -7.027 3.158 128 H GLY 15 H GLY 15 7.493 -2.221 5.197 129 HA2 GLY 15 HA2 GLY 15 6.766 -2.075 7.914 130 HA3 GLY 15 HA3 GLY 15 6.259 -0.585 7.124 131 H GLU 16 H GLU 16 4.212 -2.087 8.083 132 HA GLU 16 HA GLU 16 2.855 -2.850 5.714 133 HB2 GLU 16 HB2 GLU 16 2.221 -5.026 6.117 134 HB3 GLU 16 HB3 GLU 16 3.964 -5.028 6.297 135 HG2 GLU 16 HG2 GLU 16 3.853 -5.527 8.585 136 HG3 GLU 16 HG3 GLU 16 2.222 -4.899 8.766 137 H THR 17 H THR 17 0.654 -2.468 5.897 138 HA THR 17 HA THR 17 -0.416 -2.023 8.662 139 HB THR 17 HB THR 17 0.566 0.116 7.912 140 HG1 THR 17 HG1 THR 17 -1.107 1.315 8.528 141 HG21 THR 17 HG21 THR 17 -0.537 1.413 6.105 142 HG22 THR 17 HG22 THR 17 0.291 -0.011 5.492 143 HG23 THR 17 HG23 THR 17 -1.481 -0.010 5.651 144 H THR 18 H THR 18 -2.812 -1.381 8.431 145 HA THR 18 HA THR 18 -4.259 -2.808 6.321 146 HB THR 18 HB THR 18 -3.883 -3.902 8.888 147 HG1 THR 18 HG1 THR 18 -4.947 -5.440 8.096 148 HG21 THR 18 HG21 THR 18 -6.077 -3.989 9.950 149 HG22 THR 18 HG22 THR 18 -5.484 -2.323 9.933 150 HG23 THR 18 HG23 THR 18 -6.738 -2.842 8.780 151 H THR 19 H THR 19 -6.223 -1.632 5.828 152 HA THR 19 HA THR 19 -6.677 0.838 7.439 153 HB THR 19 HB THR 19 -6.539 2.135 5.317 154 HG1 THR 19 HG1 THR 19 -5.644 -0.350 4.241 155 HG21 THR 19 HG21 THR 19 -4.117 2.135 4.973 156 HG22 THR 19 HG22 THR 19 -4.492 2.026 6.702 157 HG23 THR 19 HG23 THR 19 -3.931 0.610 5.787 158 H GLU 20 H GLU 20 -8.690 2.006 6.831 159 HA GLU 20 HA GLU 20 -10.798 0.390 5.460 160 HB2 GLU 20 HB2 GLU 20 -10.978 2.011 8.022 161 HB3 GLU 20 HB3 GLU 20 -12.367 1.439 7.085 162 HG2 GLU 20 HG2 GLU 20 -11.504 -0.926 7.387 163 HG3 GLU 20 HG3 GLU 20 -10.321 -0.283 8.539 164 H ALA 21 H ALA 21 -12.219 1.748 4.090 165 HA ALA 21 HA ALA 21 -12.001 4.635 4.249 166 HB1 ALA 21 HB1 ALA 21 -11.410 4.792 1.758 167 HB2 ALA 21 HB2 ALA 21 -10.082 4.425 2.848 168 HB3 ALA 21 HB3 ALA 21 -10.832 3.124 1.873 169 H VAL 22 H VAL 22 -13.736 5.619 3.293 170 HA VAL 22 HA VAL 22 -16.108 4.156 2.866 171 HB VAL 22 HB VAL 22 -17.030 6.275 1.977 172 HG11 VAL 22 HG11 VAL 22 -15.460 6.726 4.522 173 HG12 VAL 22 HG12 VAL 22 -16.989 7.464 4.036 174 HG13 VAL 22 HG13 VAL 22 -16.930 5.737 4.424 175 HG21 VAL 22 HG21 VAL 22 -14.214 7.401 2.422 176 HG22 VAL 22 HG22 VAL 22 -15.117 7.345 0.883 177 HG23 VAL 22 HG23 VAL 22 -15.681 8.360 2.204 178 H ASP 23 H ASP 23 -13.837 5.542 0.418 179 HA ASP 23 HA ASP 23 -15.009 3.708 -1.614 180 HB2 ASP 23 HB2 ASP 23 -15.895 6.094 -1.651 181 HB3 ASP 23 HB3 ASP 23 -14.257 6.621 -2.024 182 H ALA 24 H ALA 24 -13.455 3.322 -3.362 183 HA ALA 24 HA ALA 24 -10.758 2.935 -2.410 184 HB1 ALA 24 HB1 ALA 24 -11.974 2.654 -5.200 185 HB2 ALA 24 HB2 ALA 24 -10.375 2.079 -4.688 186 HB3 ALA 24 HB3 ALA 24 -11.835 1.360 -3.983 187 H ALA 25 H ALA 25 -12.474 5.472 -4.117 188 HA ALA 25 HA ALA 25 -10.447 6.769 -5.545 189 HB1 ALA 25 HB1 ALA 25 -12.841 7.400 -5.629 190 HB2 ALA 25 HB2 ALA 25 -12.772 7.972 -3.952 191 HB3 ALA 25 HB3 ALA 25 -11.853 8.804 -5.221 192 H THR 26 H THR 26 -11.415 7.338 -2.103 193 HA THR 26 HA THR 26 -9.339 9.206 -1.578 194 HB THR 26 HB THR 26 -10.755 7.487 0.493 195 HG1 THR 26 HG1 THR 26 -12.494 8.856 0.339 196 HG21 THR 26 HG21 THR 26 -10.797 9.672 1.744 197 HG22 THR 26 HG22 THR 26 -9.159 9.125 1.379 198 HG23 THR 26 HG23 THR 26 -9.893 10.428 0.417 199 H ALA 27 H ALA 27 -9.556 5.669 -1.264 200 HA ALA 27 HA ALA 27 -7.174 5.311 0.260 201 HB1 ALA 27 HB1 ALA 27 -8.530 3.355 -1.643 202 HB2 ALA 27 HB2 ALA 27 -7.374 2.965 -0.356 203 HB3 ALA 27 HB3 ALA 27 -8.970 3.606 0.065 204 H GLU 28 H GLU 28 -7.792 5.325 -3.279 205 HA GLU 28 HA GLU 28 -5.326 4.474 -4.227 206 HB2 GLU 28 HB2 GLU 28 -7.476 4.884 -5.467 207 HB3 GLU 28 HB3 GLU 28 -7.156 6.614 -5.370 208 HG2 GLU 28 HG2 GLU 28 -5.084 6.255 -6.726 209 HG3 GLU 28 HG3 GLU 28 -5.469 4.528 -6.816 210 H LYS 29 H LYS 29 -6.289 7.749 -3.201 211 HA LYS 29 HA LYS 29 -3.732 8.948 -3.897 212 HB2 LYS 29 HB2 LYS 29 -6.093 9.953 -2.242 213 HB3 LYS 29 HB3 LYS 29 -4.650 10.916 -2.603 214 HG2 LYS 29 HG2 LYS 29 -5.015 10.590 -5.030 215 HG3 LYS 29 HG3 LYS 29 -6.473 9.647 -4.688 216 HD2 LYS 29 HD2 LYS 29 -7.497 11.636 -3.629 217 HD3 LYS 29 HD3 LYS 29 -6.038 12.586 -4.027 218 HE2 LYS 29 HE2 LYS 29 -6.315 12.091 -6.405 219 HE3 LYS 29 HE3 LYS 29 -7.677 11.026 -6.074 220 HZ1 LYS 29 HZ1 LYS 29 -7.654 13.917 -5.522 221 HZ2 LYS 29 HZ2 LYS 29 -8.317 13.228 -6.858 222 HZ3 LYS 29 HZ3 LYS 29 -8.957 12.902 -5.379 223 H VAL 30 H VAL 30 -5.189 7.733 -0.815 224 HA VAL 30 HA VAL 30 -2.956 8.692 0.698 225 HB VAL 30 HB VAL 30 -5.293 7.999 1.589 226 HG11 VAL 30 HG11 VAL 30 -3.851 5.380 2.104 227 HG12 VAL 30 HG12 VAL 30 -5.477 5.867 2.651 228 HG13 VAL 30 HG13 VAL 30 -5.162 5.576 0.938 229 HG21 VAL 30 HG21 VAL 30 -4.313 7.690 3.841 230 HG22 VAL 30 HG22 VAL 30 -2.720 7.386 3.107 231 HG23 VAL 30 HG23 VAL 30 -3.499 8.977 2.941 232 H PHE 31 H PHE 31 -3.531 5.663 -1.144 233 HA PHE 31 HA PHE 31 -1.461 4.101 -0.058 234 HB2 PHE 31 HB2 PHE 31 -2.467 4.416 -2.927 235 HB3 PHE 31 HB3 PHE 31 -1.282 3.223 -2.460 236 HD1 PHE 31 HD1 PHE 31 -3.629 3.254 0.254 237 HD2 PHE 31 HD2 PHE 31 -3.108 2.007 -3.856 238 HE1 PHE 31 HE1 PHE 31 -5.328 1.507 0.556 239 HE2 PHE 31 HE2 PHE 31 -4.788 0.266 -3.544 240 HZ PHE 31 HZ PHE 31 -5.934 -0.006 -1.323 241 H LYS 32 H LYS 32 -1.209 6.606 -2.659 242 HA LYS 32 HA LYS 32 1.598 6.135 -3.049 243 HB2 LYS 32 HB2 LYS 32 0.171 7.198 -4.732 244 HB3 LYS 32 HB3 LYS 32 -0.082 8.609 -3.691 245 HG2 LYS 32 HG2 LYS 32 2.222 9.264 -3.872 246 HG3 LYS 32 HG3 LYS 32 2.697 7.693 -4.548 247 HD2 LYS 32 HD2 LYS 32 1.429 8.126 -6.579 248 HD3 LYS 32 HD3 LYS 32 0.878 9.704 -5.948 249 HE2 LYS 32 HE2 LYS 32 3.178 10.528 -5.914 250 HE3 LYS 32 HE3 LYS 32 3.801 8.932 -6.298 251 HZ1 LYS 32 HZ1 LYS 32 2.220 10.608 -8.141 252 HZ2 LYS 32 HZ2 LYS 32 3.808 10.310 -8.200 253 HZ3 LYS 32 HZ3 LYS 32 2.709 9.084 -8.471 254 H GLN 33 H GLN 33 -0.156 8.615 -1.150 255 HA GLN 33 HA GLN 33 2.078 9.991 -0.121 256 HB2 GLN 33 HB2 GLN 33 -0.128 10.889 0.044 257 HB3 GLN 33 HB3 GLN 33 -0.752 9.459 0.871 258 HG2 GLN 33 HG2 GLN 33 0.480 10.009 2.916 259 HG3 GLN 33 HG3 GLN 33 1.234 11.391 2.121 260 HE21 GLN 33 HE21 GLN 33 -2.584 11.640 3.626 261 HE22 GLN 33 HE22 GLN 33 -1.449 10.362 3.991 262 H TYR 34 H TYR 34 0.244 7.300 1.358 263 HA TYR 34 HA TYR 34 1.681 7.083 3.721 264 HB2 TYR 34 HB2 TYR 34 -0.505 6.018 3.324 265 HB3 TYR 34 HB3 TYR 34 0.211 4.918 2.155 266 HD1 TYR 34 HD1 TYR 34 1.391 2.914 2.896 267 HD2 TYR 34 HD2 TYR 34 0.313 6.000 5.682 268 HE1 TYR 34 HE1 TYR 34 2.246 1.514 4.744 269 HE2 TYR 34 HE2 TYR 34 1.223 4.631 7.562 270 HH TYR 34 HH TYR 34 2.319 2.672 8.139 271 H ALA 35 H ALA 35 2.058 5.161 0.694 272 HA ALA 35 HA ALA 35 4.279 3.699 1.684 273 HB1 ALA 35 HB1 ALA 35 3.557 4.298 -1.192 274 HB2 ALA 35 HB2 ALA 35 4.442 2.883 -0.550 275 HB3 ALA 35 HB3 ALA 35 2.730 3.075 -0.181 276 H ASN 36 H ASN 36 4.113 6.783 -0.215 277 HA ASN 36 HA ASN 36 6.885 6.968 -0.733 278 HB2 ASN 36 HB2 ASN 36 5.198 8.396 -1.829 279 HB3 ASN 36 HB3 ASN 36 4.963 9.265 -0.309 280 HD21 ASN 36 HD21 ASN 36 8.631 9.610 -2.257 281 HD22 ASN 36 HD22 ASN 36 7.581 8.309 -2.694 282 H ASP 37 H ASP 37 5.082 7.768 2.224 283 HA ASP 37 HA ASP 37 7.186 9.237 3.532 284 HB2 ASP 37 HB2 ASP 37 4.905 9.285 4.369 285 HB3 ASP 37 HB3 ASP 37 4.912 7.540 4.622 286 H ASN 38 H ASN 38 6.663 5.826 2.966 287 HA ASN 38 HA ASN 38 8.660 4.859 4.861 288 HB2 ASN 38 HB2 ASN 38 6.408 3.802 3.952 289 HB3 ASN 38 HB3 ASN 38 7.443 3.226 2.647 290 HD21 ASN 38 HD21 ASN 38 7.040 0.549 5.167 291 HD22 ASN 38 HD22 ASN 38 6.088 1.473 4.074 292 H GLY 39 H GLY 39 8.992 6.566 2.057 293 HA2 GLY 39 HA2 GLY 39 10.684 7.036 0.674 294 HA3 GLY 39 HA3 GLY 39 11.739 5.985 1.615 295 H VAL 40 H VAL 40 8.768 5.014 -0.137 296 HA VAL 40 HA VAL 40 10.234 2.905 -1.471 297 HB VAL 40 HB VAL 40 8.057 2.280 -2.386 298 HG11 VAL 40 HG11 VAL 40 6.897 1.815 -0.319 299 HG12 VAL 40 HG12 VAL 40 8.642 1.551 -0.128 300 HG13 VAL 40 HG13 VAL 40 7.881 3.003 0.548 301 HG21 VAL 40 HG21 VAL 40 7.162 4.964 -1.270 302 HG22 VAL 40 HG22 VAL 40 7.000 4.361 -2.917 303 HG23 VAL 40 HG23 VAL 40 6.034 3.659 -1.643 304 H ASP 41 H ASP 41 10.577 2.523 -3.488 305 HA ASP 41 HA ASP 41 9.872 4.277 -5.716 306 HB2 ASP 41 HB2 ASP 41 12.148 4.992 -4.840 307 HB3 ASP 41 HB3 ASP 41 12.746 3.370 -5.196 308 H GLY 42 H GLY 42 8.419 2.488 -6.500 309 HA2 GLY 42 HA2 GLY 42 9.728 0.171 -7.483 310 HA3 GLY 42 HA3 GLY 42 8.940 -0.236 -5.955 311 H GLU 43 H GLU 43 7.930 -1.701 -7.718 312 HA GLU 43 HA GLU 43 5.656 -0.452 -9.104 313 HB2 GLU 43 HB2 GLU 43 5.493 -2.319 -10.496 314 HB3 GLU 43 HB3 GLU 43 7.160 -1.773 -10.507 315 HG2 GLU 43 HG2 GLU 43 7.798 -3.628 -8.987 316 HG3 GLU 43 HG3 GLU 43 6.114 -4.180 -8.961 317 H TRP 44 H TRP 44 3.544 -1.300 -8.923 318 HA TRP 44 HA TRP 44 3.023 -2.485 -6.266 319 HB2 TRP 44 HB2 TRP 44 1.398 -0.729 -8.122 320 HB3 TRP 44 HB3 TRP 44 0.756 -1.467 -6.660 321 HD1 TRP 44 HD1 TRP 44 4.025 0.590 -7.335 322 HE1 TRP 44 HE1 TRP 44 4.501 1.988 -5.343 323 HE3 TRP 44 HE3 TRP 44 -0.160 -0.493 -4.581 324 HZ2 TRP 44 HZ2 TRP 44 3.015 3.005 -3.037 325 HZ3 TRP 44 HZ3 TRP 44 -0.621 0.736 -2.481 326 HH2 TRP 44 HH2 TRP 44 0.976 2.484 -1.690 327 H THR 45 H THR 45 2.059 -4.291 -5.957 328 HA THR 45 HA THR 45 0.576 -5.738 -8.078 329 HB THR 45 HB THR 45 2.379 -6.969 -5.932 330 HG1 THR 45 HG1 THR 45 3.774 -5.955 -7.285 331 HG21 THR 45 HG21 THR 45 2.272 -8.973 -7.363 332 HG22 THR 45 HG22 THR 45 0.651 -8.487 -6.886 333 HG23 THR 45 HG23 THR 45 1.231 -8.118 -8.527 334 H TYR 46 H TYR 46 -1.183 -7.142 -7.031 335 HA TYR 46 HA TYR 46 -1.843 -6.371 -4.240 336 HB2 TYR 46 HB2 TYR 46 -2.968 -4.785 -5.617 337 HB3 TYR 46 HB3 TYR 46 -3.458 -5.994 -6.760 338 HD1 TYR 46 HD1 TYR 46 -3.956 -5.178 -3.116 339 HD2 TYR 46 HD2 TYR 46 -5.685 -6.602 -6.802 340 HE1 TYR 46 HE1 TYR 46 -6.212 -5.119 -2.094 341 HE2 TYR 46 HE2 TYR 46 -7.935 -6.636 -5.743 342 HH TYR 46 HH TYR 46 -9.046 -6.540 -3.640 343 H ASP 47 H ASP 47 -2.860 -7.913 -3.087 344 HA ASP 47 HA ASP 47 -3.543 -10.560 -4.305 345 HB2 ASP 47 HB2 ASP 47 -2.200 -9.777 -1.680 346 HB3 ASP 47 HB3 ASP 47 -3.160 -11.247 -1.798 347 H ASP 48 H ASP 48 -5.695 -9.959 -4.678 348 HA ASP 48 HA ASP 48 -7.327 -8.383 -3.050 349 HB2 ASP 48 HB2 ASP 48 -7.785 -9.031 -5.408 350 HB3 ASP 48 HB3 ASP 48 -8.184 -10.663 -4.863 351 H ALA 49 H ALA 49 -6.608 -11.786 -2.717 352 HA ALA 49 HA ALA 49 -8.679 -12.654 -1.080 353 HB1 ALA 49 HB1 ALA 49 -7.002 -14.097 -2.064 354 HB2 ALA 49 HB2 ALA 49 -5.724 -13.417 -1.021 355 HB3 ALA 49 HB3 ALA 49 -7.044 -14.362 -0.314 356 H THR 50 H THR 50 -5.885 -10.705 -0.163 357 HA THR 50 HA THR 50 -6.895 -10.467 2.634 358 HB THR 50 HB THR 50 -5.051 -11.900 2.756 359 HG1 THR 50 HG1 THR 50 -4.376 -9.263 3.402 360 HG21 THR 50 HG21 THR 50 -3.632 -10.102 0.769 361 HG22 THR 50 HG22 THR 50 -2.770 -11.287 1.793 362 HG23 THR 50 HG23 THR 50 -3.988 -11.813 0.642 363 H LYS 51 H LYS 51 -6.466 -8.823 -0.254 364 HA LYS 51 HA LYS 51 -6.559 -7.012 -1.071 365 HB2 LYS 51 HB2 LYS 51 -7.658 -6.145 1.610 366 HB3 LYS 51 HB3 LYS 51 -7.709 -5.191 0.113 367 HG2 LYS 51 HG2 LYS 51 -8.878 -7.104 -1.021 368 HG3 LYS 51 HG3 LYS 51 -9.000 -7.915 0.547 369 HD2 LYS 51 HD2 LYS 51 -10.408 -6.200 1.423 370 HD3 LYS 51 HD3 LYS 51 -10.152 -5.156 -0.016 371 HE2 LYS 51 HE2 LYS 51 -11.253 -6.900 -1.402 372 HE3 LYS 51 HE3 LYS 51 -11.469 -7.886 0.046 373 HZ1 LYS 51 HZ1 LYS 51 -12.820 -6.045 0.973 374 HZ2 LYS 51 HZ2 LYS 51 -12.743 -5.295 -0.525 375 HZ3 LYS 51 HZ3 LYS 51 -13.446 -6.760 -0.367 376 H THR 52 H THR 52 -4.169 -8.010 0.231 377 HA THR 52 HA THR 52 -2.600 -5.863 1.185 378 HB THR 52 HB THR 52 -1.811 -8.616 0.220 379 HG1 THR 52 HG1 THR 52 -2.124 -9.207 2.312 380 HG21 THR 52 HG21 THR 52 -0.448 -6.688 2.160 381 HG22 THR 52 HG22 THR 52 0.074 -8.350 1.802 382 HG23 THR 52 HG23 THR 52 0.119 -7.127 0.532 383 H PHE 53 H PHE 53 -1.576 -4.395 0.091 384 HA PHE 53 HA PHE 53 -1.069 -4.613 -2.825 385 HB2 PHE 53 HB2 PHE 53 -1.430 -2.337 -0.844 386 HB3 PHE 53 HB3 PHE 53 -0.491 -2.088 -2.311 387 HD1 PHE 53 HD1 PHE 53 -1.498 -2.441 -4.559 388 HD2 PHE 53 HD2 PHE 53 -3.882 -2.584 -0.969 389 HE1 PHE 53 HE1 PHE 53 -3.544 -2.267 -5.917 390 HE2 PHE 53 HE2 PHE 53 -5.941 -2.389 -2.344 391 HZ PHE 53 HZ PHE 53 -5.763 -2.243 -4.845 392 H THR 54 H THR 54 0.866 -5.533 -3.082 393 HA THR 54 HA THR 54 2.977 -5.219 -1.032 394 HB THR 54 HB THR 54 2.545 -7.288 -3.235 395 HG1 THR 54 HG1 THR 54 2.297 -8.286 -0.791 396 HG21 THR 54 HG21 THR 54 4.163 -8.652 -1.965 397 HG22 THR 54 HG22 THR 54 4.907 -7.153 -2.531 398 HG23 THR 54 HG23 THR 54 4.386 -7.298 -0.831 399 H VAL 55 H VAL 55 4.907 -4.283 -1.527 400 HA VAL 55 HA VAL 55 5.582 -3.576 -4.333 401 HB VAL 55 HB VAL 55 5.688 -1.799 -1.874 402 HG11 VAL 55 HG11 VAL 55 6.888 -1.293 -4.639 403 HG12 VAL 55 HG12 VAL 55 6.783 -0.114 -3.314 404 HG13 VAL 55 HG13 VAL 55 7.799 -1.525 -3.125 405 HG21 VAL 55 HG21 VAL 55 3.499 -1.796 -3.062 406 HG22 VAL 55 HG22 VAL 55 4.329 -0.254 -3.242 407 HG23 VAL 55 HG23 VAL 55 4.339 -1.409 -4.587 408 H THR 56 H THR 56 7.707 -4.110 -4.829 409 HA THR 56 HA THR 56 9.563 -4.786 -2.629 410 HB THR 56 HB THR 56 10.352 -6.609 -4.231 411 HG1 THR 56 HG1 THR 56 9.331 -6.236 -6.112 412 HG21 THR 56 HG21 THR 56 9.024 -7.088 -2.191 413 HG22 THR 56 HG22 THR 56 7.527 -6.920 -3.155 414 HG23 THR 56 HG23 THR 56 8.669 -8.217 -3.512 415 H GLU 57 H GLU 57 11.291 -3.418 -2.746 416 HA GLU 57 HA GLU 57 11.628 -1.618 -4.978 417 HB2 GLU 57 HB2 GLU 57 12.338 -1.218 -2.575 418 HB3 GLU 57 HB3 GLU 57 13.677 -2.331 -2.815 419 HG2 GLU 57 HG2 GLU 57 14.682 -0.964 -4.498 420 HG3 GLU 57 HG3 GLU 57 13.232 0.011 -4.714 Start of MODEL 15 1 H1 MET 1 H MET 1 -16.794 0.821 3.210 2 HA MET 1 HA MET 1 -16.964 -0.258 1.052 3 HB2 MET 1 HB2 MET 1 -15.604 1.388 -0.168 4 HB3 MET 1 HB3 MET 1 -14.132 0.731 0.546 5 HG2 MET 1 HG2 MET 1 -14.525 -0.128 -1.711 6 HG3 MET 1 HG3 MET 1 -14.634 -1.436 -0.538 7 HE1 MET 1 HE1 MET 1 -17.319 1.377 -1.739 8 HE2 MET 1 HE2 MET 1 -16.356 0.831 -3.132 9 HE3 MET 1 HE3 MET 1 -18.077 0.415 -3.021 10 H GLY 2 H GLY 2 -13.554 -0.308 2.513 11 HA2 GLY 2 HA2 GLY 2 -14.119 -2.590 4.030 12 HA3 GLY 2 HA3 GLY 2 -13.452 -3.068 2.441 13 H THR 3 H THR 3 -11.832 -3.856 4.067 14 HA THR 3 HA THR 3 -9.916 -1.861 4.988 15 HB THR 3 HB THR 3 -10.540 -3.628 6.513 16 HG1 THR 3 HG1 THR 3 -8.365 -3.025 6.599 17 HG21 THR 3 HG21 THR 3 -11.161 -5.414 4.841 18 HG22 THR 3 HG22 THR 3 -9.434 -5.688 4.563 19 HG23 THR 3 HG23 THR 3 -10.141 -5.966 6.172 20 H TYR 4 H TYR 4 -7.819 -1.714 4.127 21 HA TYR 4 HA TYR 4 -7.153 -3.221 1.662 22 HB2 TYR 4 HB2 TYR 4 -6.879 -0.235 2.125 23 HB3 TYR 4 HB3 TYR 4 -6.253 -1.117 0.744 24 HD1 TYR 4 HD1 TYR 4 -7.739 -1.924 -1.038 25 HD2 TYR 4 HD2 TYR 4 -9.368 0.170 2.371 26 HE1 TYR 4 HE1 TYR 4 -9.896 -1.646 -2.227 27 HE2 TYR 4 HE2 TYR 4 -11.499 0.446 1.187 28 HH TYR 4 HH TYR 4 -12.092 -0.967 -2.058 29 H LYS 5 H LYS 5 -5.084 -4.196 1.931 30 HA LYS 5 HA LYS 5 -3.582 -3.214 4.330 31 HB2 LYS 5 HB2 LYS 5 -4.462 -5.580 4.049 32 HB3 LYS 5 HB3 LYS 5 -3.164 -5.816 2.880 33 HG2 LYS 5 HG2 LYS 5 -1.509 -5.248 4.649 34 HG3 LYS 5 HG3 LYS 5 -2.849 -4.957 5.787 35 HD2 LYS 5 HD2 LYS 5 -3.584 -7.293 5.606 36 HD3 LYS 5 HD3 LYS 5 -2.300 -7.614 4.421 37 HE2 LYS 5 HE2 LYS 5 -0.628 -6.837 6.183 38 HE3 LYS 5 HE3 LYS 5 -1.966 -6.848 7.350 39 HZ1 LYS 5 HZ1 LYS 5 -2.251 -9.246 6.747 40 HZ2 LYS 5 HZ2 LYS 5 -0.911 -9.148 5.816 41 HZ3 LYS 5 HZ3 LYS 5 -0.801 -8.919 7.437 42 H LEU 6 H LEU 6 -1.584 -2.342 4.205 43 HA LEU 6 HA LEU 6 -0.289 -1.986 1.525 44 HB2 LEU 6 HB2 LEU 6 -0.734 -0.100 3.851 45 HB3 LEU 6 HB3 LEU 6 0.558 0.195 2.698 46 HG LEU 6 HG LEU 6 -2.315 -0.178 1.782 47 HD11 LEU 6 HD11 LEU 6 -1.917 1.813 3.491 48 HD12 LEU 6 HD12 LEU 6 -1.131 2.578 2.110 49 HD13 LEU 6 HD13 LEU 6 -2.820 2.079 1.994 50 HD21 LEU 6 HD21 LEU 6 0.166 1.162 0.597 51 HD22 LEU 6 HD22 LEU 6 -0.550 -0.368 0.077 52 HD23 LEU 6 HD23 LEU 6 -1.444 1.130 -0.181 53 H ILE 7 H ILE 7 1.474 -3.216 1.501 54 HA ILE 7 HA ILE 7 3.420 -3.156 3.744 55 HB ILE 7 HB ILE 7 2.496 -5.351 3.812 56 HG12 ILE 7 HG12 ILE 7 5.054 -5.612 2.149 57 HG13 ILE 7 HG13 ILE 7 5.032 -5.089 3.825 58 HG21 ILE 7 HG21 ILE 7 1.382 -5.410 1.580 59 HG22 ILE 7 HG22 ILE 7 2.960 -5.689 0.832 60 HG23 ILE 7 HG23 ILE 7 2.282 -6.889 1.926 61 HD11 ILE 7 HD11 ILE 7 4.223 -7.795 2.785 62 HD12 ILE 7 HD12 ILE 7 5.611 -7.391 3.800 63 HD13 ILE 7 HD13 ILE 7 3.969 -7.261 4.464 64 H LEU 8 H LEU 8 5.321 -2.468 3.321 65 HA LEU 8 HA LEU 8 6.170 -2.131 0.477 66 HB2 LEU 8 HB2 LEU 8 6.783 -0.396 2.903 67 HB3 LEU 8 HB3 LEU 8 7.423 -0.170 1.290 68 HG LEU 8 HG LEU 8 5.784 1.464 1.553 69 HD11 LEU 8 HD11 LEU 8 4.463 -0.769 -0.045 70 HD12 LEU 8 HD12 LEU 8 4.045 0.924 -0.141 71 HD13 LEU 8 HD13 LEU 8 5.651 0.393 -0.659 72 HD21 LEU 8 HD21 LEU 8 3.607 -0.463 2.359 73 HD22 LEU 8 HD22 LEU 8 4.594 0.466 3.512 74 HD23 LEU 8 HD23 LEU 8 3.581 1.299 2.321 75 H ASN 9 H ASN 9 8.208 -2.832 -0.034 76 HA ASN 9 HA ASN 9 9.873 -3.967 2.137 77 HB2 ASN 9 HB2 ASN 9 9.516 -5.210 -0.602 78 HB3 ASN 9 HB3 ASN 9 10.500 -5.806 0.713 79 HD21 ASN 9 HD21 ASN 9 6.600 -6.833 0.511 80 HD22 ASN 9 HD22 ASN 9 7.365 -5.744 -0.655 81 H GLY 10 H GLY 10 10.541 -1.600 1.918 82 HA2 GLY 10 HA2 GLY 10 11.904 -0.699 -0.432 83 HA3 GLY 10 HA3 GLY 10 11.925 0.015 1.189 84 H LYS 11 H LYS 11 14.185 -0.173 -0.418 85 HA LYS 11 HA LYS 11 15.822 -2.450 0.131 86 HB2 LYS 11 HB2 LYS 11 16.288 -0.994 -1.702 87 HB3 LYS 11 HB3 LYS 11 16.424 0.429 -0.653 88 HG2 LYS 11 HG2 LYS 11 18.494 -0.326 0.275 89 HG3 LYS 11 HG3 LYS 11 18.337 -1.930 -0.485 90 HD2 LYS 11 HD2 LYS 11 18.657 -1.044 -2.670 91 HD3 LYS 11 HD3 LYS 11 18.460 0.632 -2.108 92 HE2 LYS 11 HE2 LYS 11 20.527 0.614 -0.914 93 HE3 LYS 11 HE3 LYS 11 20.664 -1.148 -1.051 94 HZ1 LYS 11 HZ1 LYS 11 22.105 0.040 -2.574 95 HZ2 LYS 11 HZ2 LYS 11 21.066 -0.987 -3.319 96 HZ3 LYS 11 HZ3 LYS 11 20.779 0.630 -3.394 97 H THR 12 H THR 12 15.194 0.474 2.048 98 HA THR 12 HA THR 12 16.991 -0.640 4.144 99 HB THR 12 HB THR 12 17.878 1.315 2.866 100 HG1 THR 12 HG1 THR 12 18.428 0.716 5.082 101 HG21 THR 12 HG21 THR 12 17.075 3.540 3.316 102 HG22 THR 12 HG22 THR 12 15.744 2.598 2.649 103 HG23 THR 12 HG23 THR 12 15.803 2.929 4.394 104 H LEU 13 H LEU 13 13.716 0.359 3.449 105 HA LEU 13 HA LEU 13 13.074 0.145 6.346 106 HB2 LEU 13 HB2 LEU 13 12.140 2.064 4.192 107 HB3 LEU 13 HB3 LEU 13 11.070 1.668 5.519 108 HG LEU 13 HG LEU 13 13.890 2.619 6.114 109 HD11 LEU 13 HD11 LEU 13 12.919 4.286 4.601 110 HD12 LEU 13 HD12 LEU 13 11.459 4.369 5.589 111 HD13 LEU 13 HD13 LEU 13 13.023 4.918 6.248 112 HD21 LEU 13 HD21 LEU 13 12.506 1.669 7.964 113 HD22 LEU 13 HD22 LEU 13 12.824 3.396 8.185 114 HD23 LEU 13 HD23 LEU 13 11.232 2.861 7.612 115 H LYS 14 H LYS 14 11.382 -1.209 6.812 116 HA LYS 14 HA LYS 14 9.665 -2.185 4.615 117 HB2 LYS 14 HB2 LYS 14 11.196 -4.059 6.486 118 HB3 LYS 14 HB3 LYS 14 9.889 -4.510 5.399 119 HG2 LYS 14 HG2 LYS 14 11.391 -3.478 3.510 120 HG3 LYS 14 HG3 LYS 14 12.698 -3.643 4.681 121 HD2 LYS 14 HD2 LYS 14 12.146 -6.071 4.905 122 HD3 LYS 14 HD3 LYS 14 10.824 -5.865 3.742 123 HE2 LYS 14 HE2 LYS 14 12.433 -5.163 1.997 124 HE3 LYS 14 HE3 LYS 14 13.766 -5.337 3.143 125 HZ1 LYS 14 HZ1 LYS 14 11.995 -7.598 2.383 126 HZ2 LYS 14 HZ2 LYS 14 13.439 -7.269 1.653 127 HZ3 LYS 14 HZ3 LYS 14 13.403 -7.666 3.217 128 H GLY 15 H GLY 15 7.597 -2.777 5.314 129 HA2 GLY 15 HA2 GLY 15 6.895 -3.210 8.028 130 HA3 GLY 15 HA3 GLY 15 6.538 -1.528 7.562 131 H GLU 16 H GLU 16 4.389 -3.016 8.230 132 HA GLU 16 HA GLU 16 2.918 -3.220 5.733 133 HB2 GLU 16 HB2 GLU 16 1.899 -5.391 6.349 134 HB3 GLU 16 HB3 GLU 16 3.582 -5.497 5.853 135 HG2 GLU 16 HG2 GLU 16 4.338 -6.220 7.887 136 HG3 GLU 16 HG3 GLU 16 3.112 -5.360 8.805 137 H THR 17 H THR 17 0.910 -2.353 5.977 138 HA THR 17 HA THR 17 -0.236 -2.235 8.714 139 HB THR 17 HB THR 17 1.118 -0.123 8.107 140 HG1 THR 17 HG1 THR 17 -0.054 0.002 9.820 141 HG21 THR 17 HG21 THR 17 -0.099 1.639 6.958 142 HG22 THR 17 HG22 THR 17 0.295 0.320 5.851 143 HG23 THR 17 HG23 THR 17 -1.368 0.517 6.464 144 H THR 18 H THR 18 -2.546 -1.181 8.515 145 HA THR 18 HA THR 18 -3.959 -2.059 6.108 146 HB THR 18 HB THR 18 -3.588 -3.978 7.756 147 HG1 THR 18 HG1 THR 18 -5.490 -4.814 7.413 148 HG21 THR 18 HG21 THR 18 -5.051 -4.168 9.673 149 HG22 THR 18 HG22 THR 18 -3.997 -2.766 9.847 150 HG23 THR 18 HG23 THR 18 -5.711 -2.548 9.398 151 H THR 19 H THR 19 -5.969 -0.901 5.885 152 HA THR 19 HA THR 19 -6.877 0.911 7.983 153 HB THR 19 HB THR 19 -6.794 2.849 6.325 154 HG1 THR 19 HG1 THR 19 -4.827 1.197 5.093 155 HG21 THR 19 HG21 THR 19 -4.616 3.603 6.897 156 HG22 THR 19 HG22 THR 19 -5.221 2.657 8.263 157 HG23 THR 19 HG23 THR 19 -4.011 1.962 7.155 158 H GLU 20 H GLU 20 -8.858 2.101 7.164 159 HA GLU 20 HA GLU 20 -10.521 0.430 5.340 160 HB2 GLU 20 HB2 GLU 20 -11.234 2.178 7.746 161 HB3 GLU 20 HB3 GLU 20 -12.412 1.587 6.579 162 HG2 GLU 20 HG2 GLU 20 -11.687 -0.776 7.183 163 HG3 GLU 20 HG3 GLU 20 -10.817 -0.058 8.555 164 H ALA 21 H ALA 21 -11.854 1.611 3.828 165 HA ALA 21 HA ALA 21 -11.547 4.551 3.704 166 HB1 ALA 21 HB1 ALA 21 -11.059 4.479 1.301 167 HB2 ALA 21 HB2 ALA 21 -9.789 3.624 2.197 168 HB3 ALA 21 HB3 ALA 21 -11.038 2.708 1.326 169 H VAL 22 H VAL 22 -13.395 5.561 2.841 170 HA VAL 22 HA VAL 22 -15.843 4.173 3.043 171 HB VAL 22 HB VAL 22 -16.869 6.212 2.092 172 HG11 VAL 22 HG11 VAL 22 -14.768 6.796 4.213 173 HG12 VAL 22 HG12 VAL 22 -16.289 7.674 3.911 174 HG13 VAL 22 HG13 VAL 22 -16.336 5.998 4.499 175 HG21 VAL 22 HG21 VAL 22 -14.005 7.241 1.778 176 HG22 VAL 22 HG22 VAL 22 -15.235 7.007 0.505 177 HG23 VAL 22 HG23 VAL 22 -15.465 8.237 1.739 178 H ASP 23 H ASP 23 -13.937 5.052 0.170 179 HA ASP 23 HA ASP 23 -15.049 2.900 -1.452 180 HB2 ASP 23 HB2 ASP 23 -16.644 4.623 -1.994 181 HB3 ASP 23 HB3 ASP 23 -15.379 5.831 -2.197 182 H ALA 24 H ALA 24 -13.600 2.618 -3.345 183 HA ALA 24 HA ALA 24 -10.900 2.687 -2.651 184 HB1 ALA 24 HB1 ALA 24 -12.157 2.436 -5.411 185 HB2 ALA 24 HB2 ALA 24 -10.511 1.957 -4.950 186 HB3 ALA 24 HB3 ALA 24 -11.900 1.109 -4.249 187 H ALA 25 H ALA 25 -12.785 5.292 -4.141 188 HA ALA 25 HA ALA 25 -10.798 6.634 -5.566 189 HB1 ALA 25 HB1 ALA 25 -13.195 7.282 -5.528 190 HB2 ALA 25 HB2 ALA 25 -13.007 7.890 -3.874 191 HB3 ALA 25 HB3 ALA 25 -12.138 8.660 -5.216 192 H THR 26 H THR 26 -11.345 6.702 -2.047 193 HA THR 26 HA THR 26 -9.231 8.700 -1.593 194 HB THR 26 HB THR 26 -10.644 6.925 0.439 195 HG1 THR 26 HG1 THR 26 -11.347 9.560 -0.333 196 HG21 THR 26 HG21 THR 26 -10.161 8.775 2.027 197 HG22 THR 26 HG22 THR 26 -8.681 8.043 1.397 198 HG23 THR 26 HG23 THR 26 -9.227 9.612 0.763 199 H ALA 27 H ALA 27 -9.653 5.163 -1.414 200 HA ALA 27 HA ALA 27 -7.276 4.511 -0.069 201 HB1 ALA 27 HB1 ALA 27 -8.658 2.813 -2.178 202 HB2 ALA 27 HB2 ALA 27 -7.659 2.279 -0.817 203 HB3 ALA 27 HB3 ALA 27 -9.240 2.989 -0.503 204 H GLU 28 H GLU 28 -7.926 4.678 -3.630 205 HA GLU 28 HA GLU 28 -5.392 3.971 -4.499 206 HB2 GLU 28 HB2 GLU 28 -7.516 4.281 -5.815 207 HB3 GLU 28 HB3 GLU 28 -7.200 6.026 -5.827 208 HG2 GLU 28 HG2 GLU 28 -5.056 5.635 -6.987 209 HG3 GLU 28 HG3 GLU 28 -5.282 3.883 -6.870 210 H LYS 29 H LYS 29 -6.467 7.122 -3.328 211 HA LYS 29 HA LYS 29 -4.014 8.533 -4.068 212 HB2 LYS 29 HB2 LYS 29 -6.335 9.251 -2.219 213 HB3 LYS 29 HB3 LYS 29 -4.954 10.308 -2.535 214 HG2 LYS 29 HG2 LYS 29 -5.482 10.380 -4.931 215 HG3 LYS 29 HG3 LYS 29 -6.838 9.258 -4.700 216 HD2 LYS 29 HD2 LYS 29 -8.010 10.815 -3.299 217 HD3 LYS 29 HD3 LYS 29 -6.630 11.915 -3.232 218 HE2 LYS 29 HE2 LYS 29 -6.818 12.532 -5.514 219 HE3 LYS 29 HE3 LYS 29 -7.960 11.228 -5.872 220 HZ1 LYS 29 HZ1 LYS 29 -8.662 13.287 -3.897 221 HZ2 LYS 29 HZ2 LYS 29 -8.905 13.562 -5.502 222 HZ3 LYS 29 HZ3 LYS 29 -9.645 12.305 -4.778 223 H VAL 30 H VAL 30 -5.407 7.248 -0.961 224 HA VAL 30 HA VAL 30 -3.190 8.054 0.563 225 HB VAL 30 HB VAL 30 -5.482 7.176 1.406 226 HG11 VAL 30 HG11 VAL 30 -3.906 4.591 1.708 227 HG12 VAL 30 HG12 VAL 30 -5.512 4.958 2.357 228 HG13 VAL 30 HG13 VAL 30 -5.278 4.815 0.620 229 HG21 VAL 30 HG21 VAL 30 -4.489 6.812 3.625 230 HG22 VAL 30 HG22 VAL 30 -2.889 6.537 2.907 231 HG23 VAL 30 HG23 VAL 30 -3.654 8.133 2.803 232 H PHE 31 H PHE 31 -3.589 5.163 -1.508 233 HA PHE 31 HA PHE 31 -1.422 3.678 -0.512 234 HB2 PHE 31 HB2 PHE 31 -2.328 4.054 -3.393 235 HB3 PHE 31 HB3 PHE 31 -1.278 2.781 -2.832 236 HD1 PHE 31 HD1 PHE 31 -3.322 2.669 -0.122 237 HD2 PHE 31 HD2 PHE 31 -3.606 2.152 -4.405 238 HE1 PHE 31 HE1 PHE 31 -5.292 1.242 0.186 239 HE2 PHE 31 HE2 PHE 31 -5.595 0.739 -4.080 240 HZ PHE 31 HZ PHE 31 -6.447 0.273 -1.782 241 H LYS 32 H LYS 32 -1.308 6.388 -2.939 242 HA LYS 32 HA LYS 32 1.567 6.112 -3.202 243 HB2 LYS 32 HB2 LYS 32 0.145 7.177 -4.948 244 HB3 LYS 32 HB3 LYS 32 -0.190 8.535 -3.856 245 HG2 LYS 32 HG2 LYS 32 2.232 9.088 -3.779 246 HG3 LYS 32 HG3 LYS 32 2.590 7.649 -4.749 247 HD2 LYS 32 HD2 LYS 32 1.177 8.639 -6.582 248 HD3 LYS 32 HD3 LYS 32 1.085 10.148 -5.644 249 HE2 LYS 32 HE2 LYS 32 3.496 10.424 -5.737 250 HE3 LYS 32 HE3 LYS 32 3.716 8.768 -6.311 251 HZ1 LYS 32 HZ1 LYS 32 2.553 10.971 -7.895 252 HZ2 LYS 32 HZ2 LYS 32 3.992 10.249 -8.096 253 HZ3 LYS 32 HZ3 LYS 32 2.614 9.388 -8.377 254 H GLN 33 H GLN 33 -0.522 8.390 -1.397 255 HA GLN 33 HA GLN 33 1.493 9.968 -0.251 256 HB2 GLN 33 HB2 GLN 33 -0.896 10.502 -0.280 257 HB3 GLN 33 HB3 GLN 33 -1.253 9.118 0.756 258 HG2 GLN 33 HG2 GLN 33 0.049 10.186 2.608 259 HG3 GLN 33 HG3 GLN 33 0.299 11.601 1.569 260 HE21 GLN 33 HE21 GLN 33 -3.150 11.239 3.651 261 HE22 GLN 33 HE22 GLN 33 -1.899 10.036 3.797 262 H TYR 34 H TYR 34 -0.090 7.066 1.187 263 HA TYR 34 HA TYR 34 1.427 7.065 3.578 264 HB2 TYR 34 HB2 TYR 34 -0.733 5.925 3.402 265 HB3 TYR 34 HB3 TYR 34 -0.101 4.834 2.158 266 HD1 TYR 34 HD1 TYR 34 0.984 2.788 2.797 267 HD2 TYR 34 HD2 TYR 34 0.425 5.951 5.653 268 HE1 TYR 34 HE1 TYR 34 2.151 1.438 4.442 269 HE2 TYR 34 HE2 TYR 34 1.687 4.625 7.363 270 HH TYR 34 HH TYR 34 2.900 2.650 7.779 271 H ALA 35 H ALA 35 1.756 5.008 0.577 272 HA ALA 35 HA ALA 35 4.005 3.610 1.510 273 HB1 ALA 35 HB1 ALA 35 3.346 4.363 -1.364 274 HB2 ALA 35 HB2 ALA 35 4.347 3.011 -0.803 275 HB3 ALA 35 HB3 ALA 35 2.623 3.002 -0.460 276 H ASN 36 H ASN 36 3.822 6.775 -0.183 277 HA ASN 36 HA ASN 36 6.575 7.161 -0.637 278 HB2 ASN 36 HB2 ASN 36 5.048 8.650 -1.640 279 HB3 ASN 36 HB3 ASN 36 4.290 9.060 -0.095 280 HD21 ASN 36 HD21 ASN 36 7.948 10.734 -1.013 281 HD22 ASN 36 HD22 ASN 36 7.418 9.271 -1.838 282 H ASP 37 H ASP 37 4.745 7.512 2.423 283 HA ASP 37 HA ASP 37 6.731 8.999 3.831 284 HB2 ASP 37 HB2 ASP 37 4.313 8.626 4.508 285 HB3 ASP 37 HB3 ASP 37 4.762 6.987 4.986 286 H ASN 38 H ASN 38 6.511 5.655 2.943 287 HA ASN 38 HA ASN 38 8.488 4.617 4.832 288 HB2 ASN 38 HB2 ASN 38 6.343 3.518 3.944 289 HB3 ASN 38 HB3 ASN 38 7.173 3.292 2.443 290 HD21 ASN 38 HD21 ASN 38 7.344 0.478 5.155 291 HD22 ASN 38 HD22 ASN 38 6.529 1.999 5.499 292 H GLY 39 H GLY 39 8.798 6.612 2.178 293 HA2 GLY 39 HA2 GLY 39 10.559 7.227 0.871 294 HA3 GLY 39 HA3 GLY 39 11.592 6.183 1.860 295 H VAL 40 H VAL 40 8.807 5.241 -0.147 296 HA VAL 40 HA VAL 40 10.315 3.123 -1.376 297 HB VAL 40 HB VAL 40 8.101 2.528 -2.343 298 HG11 VAL 40 HG11 VAL 40 6.932 2.175 -0.202 299 HG12 VAL 40 HG12 VAL 40 8.646 1.704 -0.141 300 HG13 VAL 40 HG13 VAL 40 8.108 3.218 0.601 301 HG21 VAL 40 HG21 VAL 40 7.321 5.260 -1.258 302 HG22 VAL 40 HG22 VAL 40 6.996 4.563 -2.846 303 HG23 VAL 40 HG23 VAL 40 6.136 3.999 -1.410 304 H ASP 41 H ASP 41 10.776 2.674 -3.412 305 HA ASP 41 HA ASP 41 9.966 4.333 -5.686 306 HB2 ASP 41 HB2 ASP 41 12.170 5.209 -4.863 307 HB3 ASP 41 HB3 ASP 41 12.892 3.647 -5.269 308 H GLY 42 H GLY 42 8.571 2.476 -6.273 309 HA2 GLY 42 HA2 GLY 42 10.020 0.325 -7.569 310 HA3 GLY 42 HA3 GLY 42 9.295 -0.221 -6.062 311 H GLU 43 H GLU 43 8.376 -1.663 -7.711 312 HA GLU 43 HA GLU 43 6.144 -0.760 -9.369 313 HB2 GLU 43 HB2 GLU 43 6.138 -2.919 -10.316 314 HB3 GLU 43 HB3 GLU 43 7.779 -2.310 -10.362 315 HG2 GLU 43 HG2 GLU 43 8.540 -3.901 -8.779 316 HG3 GLU 43 HG3 GLU 43 6.928 -4.210 -8.148 317 H TRP 44 H TRP 44 4.007 -1.641 -9.164 318 HA TRP 44 HA TRP 44 3.363 -2.553 -6.405 319 HB2 TRP 44 HB2 TRP 44 1.827 -0.877 -8.401 320 HB3 TRP 44 HB3 TRP 44 1.101 -1.597 -6.973 321 HD1 TRP 44 HD1 TRP 44 4.353 0.470 -7.460 322 HE1 TRP 44 HE1 TRP 44 4.700 1.876 -5.453 323 HE3 TRP 44 HE3 TRP 44 0.022 -0.622 -5.005 324 HZ2 TRP 44 HZ2 TRP 44 3.029 2.890 -3.210 325 HZ3 TRP 44 HZ3 TRP 44 -0.526 0.491 -2.852 326 HH2 TRP 44 HH2 TRP 44 0.993 2.236 -1.943 327 H THR 45 H THR 45 2.333 -4.344 -6.062 328 HA THR 45 HA THR 45 1.000 -5.903 -8.205 329 HB THR 45 HB THR 45 2.587 -6.952 -5.811 330 HG1 THR 45 HG1 THR 45 3.996 -6.012 -7.273 331 HG21 THR 45 HG21 THR 45 2.549 -9.105 -7.060 332 HG22 THR 45 HG22 THR 45 0.922 -8.582 -6.610 333 HG23 THR 45 HG23 THR 45 1.496 -8.371 -8.286 334 H TYR 46 H TYR 46 -0.933 -7.162 -7.248 335 HA TYR 46 HA TYR 46 -1.826 -6.122 -4.606 336 HB2 TYR 46 HB2 TYR 46 -2.770 -4.653 -6.283 337 HB3 TYR 46 HB3 TYR 46 -3.300 -6.024 -7.239 338 HD1 TYR 46 HD1 TYR 46 -3.672 -4.847 -3.669 339 HD2 TYR 46 HD2 TYR 46 -5.604 -6.441 -7.191 340 HE1 TYR 46 HE1 TYR 46 -5.865 -4.657 -2.559 341 HE2 TYR 46 HE2 TYR 46 -7.790 -6.272 -6.074 342 HH TYR 46 HH TYR 46 -8.858 -5.905 -3.915 343 H ASP 47 H ASP 47 -3.101 -7.476 -3.437 344 HA ASP 47 HA ASP 47 -3.883 -10.144 -4.489 345 HB2 ASP 47 HB2 ASP 47 -1.854 -9.607 -2.552 346 HB3 ASP 47 HB3 ASP 47 -3.237 -10.179 -1.642 347 H ASP 48 H ASP 48 -6.047 -9.559 -4.782 348 HA ASP 48 HA ASP 48 -7.506 -7.764 -3.172 349 HB2 ASP 48 HB2 ASP 48 -8.134 -8.534 -5.493 350 HB3 ASP 48 HB3 ASP 48 -8.729 -10.031 -4.767 351 H ALA 49 H ALA 49 -7.018 -11.185 -2.692 352 HA ALA 49 HA ALA 49 -9.126 -11.835 -1.003 353 HB1 ALA 49 HB1 ALA 49 -7.499 -13.439 -1.846 354 HB2 ALA 49 HB2 ALA 49 -6.208 -12.704 -0.865 355 HB3 ALA 49 HB3 ALA 49 -7.541 -13.556 -0.082 356 H THR 50 H THR 50 -6.226 -9.990 -0.165 357 HA THR 50 HA THR 50 -7.339 -9.380 2.526 358 HB THR 50 HB THR 50 -5.756 -10.940 3.090 359 HG1 THR 50 HG1 THR 50 -4.838 -8.368 3.331 360 HG21 THR 50 HG21 THR 50 -3.969 -9.915 0.875 361 HG22 THR 50 HG22 THR 50 -3.385 -10.985 2.182 362 HG23 THR 50 HG23 THR 50 -4.657 -11.524 1.086 363 H LYS 51 H LYS 51 -6.867 -8.078 -0.426 364 HA LYS 51 HA LYS 51 -6.468 -6.319 -1.402 365 HB2 LYS 51 HB2 LYS 51 -7.618 -5.158 1.133 366 HB3 LYS 51 HB3 LYS 51 -7.372 -4.241 -0.379 367 HG2 LYS 51 HG2 LYS 51 -8.692 -6.348 -1.401 368 HG3 LYS 51 HG3 LYS 51 -9.315 -6.466 0.238 369 HD2 LYS 51 HD2 LYS 51 -10.288 -4.233 0.078 370 HD3 LYS 51 HD3 LYS 51 -9.451 -3.941 -1.472 371 HE2 LYS 51 HE2 LYS 51 -10.691 -5.674 -2.591 372 HE3 LYS 51 HE3 LYS 51 -11.369 -6.243 -1.065 373 HZ1 LYS 51 HZ1 LYS 51 -12.624 -4.246 -0.884 374 HZ2 LYS 51 HZ2 LYS 51 -12.062 -3.663 -2.348 375 HZ3 LYS 51 HZ3 LYS 51 -12.973 -5.045 -2.236 376 H THR 52 H THR 52 -4.325 -7.529 -0.229 377 HA THR 52 HA THR 52 -2.435 -5.703 0.918 378 HB THR 52 HB THR 52 -2.351 -8.546 -0.139 379 HG1 THR 52 HG1 THR 52 -2.338 -8.973 2.072 380 HG21 THR 52 HG21 THR 52 -0.148 -7.004 1.274 381 HG22 THR 52 HG22 THR 52 -0.180 -8.776 1.085 382 HG23 THR 52 HG23 THR 52 -0.065 -7.741 -0.337 383 H PHE 53 H PHE 53 -1.422 -4.201 -0.151 384 HA PHE 53 HA PHE 53 -0.776 -4.525 -3.042 385 HB2 PHE 53 HB2 PHE 53 -1.161 -2.145 -1.197 386 HB3 PHE 53 HB3 PHE 53 -0.253 -1.999 -2.688 387 HD1 PHE 53 HD1 PHE 53 -1.357 -2.510 -4.914 388 HD2 PHE 53 HD2 PHE 53 -3.584 -2.245 -1.224 389 HE1 PHE 53 HE1 PHE 53 -3.462 -2.193 -6.201 390 HE2 PHE 53 HE2 PHE 53 -5.671 -1.942 -2.522 391 HZ PHE 53 HZ PHE 53 -5.608 -1.883 -5.010 392 H THR 54 H THR 54 1.236 -5.459 -3.175 393 HA THR 54 HA THR 54 3.245 -4.842 -1.076 394 HB THR 54 HB THR 54 3.308 -7.062 -3.149 395 HG1 THR 54 HG1 THR 54 1.560 -7.479 -2.031 396 HG21 THR 54 HG21 THR 54 4.782 -8.180 -1.513 397 HG22 THR 54 HG22 THR 54 5.476 -6.645 -2.042 398 HG23 THR 54 HG23 THR 54 4.686 -6.764 -0.446 399 H VAL 55 H VAL 55 5.245 -4.034 -1.585 400 HA VAL 55 HA VAL 55 5.874 -3.308 -4.390 401 HB VAL 55 HB VAL 55 5.945 -1.584 -1.896 402 HG11 VAL 55 HG11 VAL 55 7.261 -1.004 -4.586 403 HG12 VAL 55 HG12 VAL 55 7.071 0.154 -3.242 404 HG13 VAL 55 HG13 VAL 55 8.104 -1.254 -3.037 405 HG21 VAL 55 HG21 VAL 55 3.816 -1.643 -3.250 406 HG22 VAL 55 HG22 VAL 55 4.582 -0.068 -3.260 407 HG23 VAL 55 HG23 VAL 55 4.758 -1.130 -4.673 408 H THR 56 H THR 56 8.012 -3.743 -4.920 409 HA THR 56 HA THR 56 9.810 -4.752 -2.793 410 HB THR 56 HB THR 56 10.494 -6.434 -4.593 411 HG1 THR 56 HG1 THR 56 9.488 -5.690 -6.379 412 HG21 THR 56 HG21 THR 56 9.190 -7.103 -2.613 413 HG22 THR 56 HG22 THR 56 7.674 -6.672 -3.445 414 HG23 THR 56 HG23 THR 56 8.681 -7.992 -4.058 415 H GLU 57 H GLU 57 11.428 -3.244 -2.672 416 HA GLU 57 HA GLU 57 12.170 -1.671 -5.050 417 HB2 GLU 57 HB2 GLU 57 12.256 -0.933 -2.575 418 HB3 GLU 57 HB3 GLU 57 13.735 -1.856 -2.440 419 HG2 GLU 57 HG2 GLU 57 14.796 -0.555 -4.234 420 HG3 GLU 57 HG3 GLU 57 13.303 0.350 -4.492 Start of MODEL 16 1 H1 MET 1 H MET 1 -16.832 0.814 2.834 2 HA MET 1 HA MET 1 -16.970 -0.223 0.636 3 HB2 MET 1 HB2 MET 1 -15.662 1.594 -0.454 4 HB3 MET 1 HB3 MET 1 -14.179 0.854 0.136 5 HG2 MET 1 HG2 MET 1 -14.578 0.098 -2.122 6 HG3 MET 1 HG3 MET 1 -14.950 -1.263 -1.063 7 HE1 MET 1 HE1 MET 1 -16.998 2.014 -2.339 8 HE2 MET 1 HE2 MET 1 -16.160 1.250 -3.712 9 HE3 MET 1 HE3 MET 1 -17.929 1.205 -3.611 10 H GLY 2 H GLY 2 -13.409 -0.345 1.756 11 HA2 GLY 2 HA2 GLY 2 -14.111 -2.644 3.355 12 HA3 GLY 2 HA3 GLY 2 -13.241 -2.982 1.841 13 H THR 3 H THR 3 -11.757 -3.824 3.535 14 HA THR 3 HA THR 3 -10.037 -1.760 4.749 15 HB THR 3 HB THR 3 -10.813 -3.339 6.365 16 HG1 THR 3 HG1 THR 3 -8.591 -2.778 6.454 17 HG21 THR 3 HG21 THR 3 -11.442 -5.253 4.928 18 HG22 THR 3 HG22 THR 3 -9.723 -5.606 4.654 19 HG23 THR 3 HG23 THR 3 -10.426 -5.738 6.286 20 H TYR 4 H TYR 4 -7.848 -1.697 4.020 21 HA TYR 4 HA TYR 4 -7.164 -3.422 1.687 22 HB2 TYR 4 HB2 TYR 4 -6.768 -0.423 1.956 23 HB3 TYR 4 HB3 TYR 4 -6.278 -1.416 0.595 24 HD1 TYR 4 HD1 TYR 4 -7.979 -2.306 -0.995 25 HD2 TYR 4 HD2 TYR 4 -9.226 0.226 2.290 26 HE1 TYR 4 HE1 TYR 4 -10.203 -1.946 -2.072 27 HE2 TYR 4 HE2 TYR 4 -11.363 0.584 1.208 28 HH TYR 4 HH TYR 4 -12.410 -1.352 -1.529 29 H LYS 5 H LYS 5 -5.151 -4.479 2.033 30 HA LYS 5 HA LYS 5 -3.610 -3.426 4.386 31 HB2 LYS 5 HB2 LYS 5 -4.457 -5.793 4.253 32 HB3 LYS 5 HB3 LYS 5 -3.340 -6.056 2.914 33 HG2 LYS 5 HG2 LYS 5 -1.481 -5.260 4.537 34 HG3 LYS 5 HG3 LYS 5 -2.717 -5.373 5.810 35 HD2 LYS 5 HD2 LYS 5 -3.064 -7.790 5.160 36 HD3 LYS 5 HD3 LYS 5 -1.727 -7.600 3.990 37 HE2 LYS 5 HE2 LYS 5 -0.288 -6.800 5.921 38 HE3 LYS 5 HE3 LYS 5 -1.590 -7.295 7.012 39 HZ1 LYS 5 HZ1 LYS 5 -1.323 -9.542 6.211 40 HZ2 LYS 5 HZ2 LYS 5 -0.135 -9.061 5.138 41 HZ3 LYS 5 HZ3 LYS 5 0.134 -8.938 6.737 42 H LEU 6 H LEU 6 -1.611 -2.473 4.115 43 HA LEU 6 HA LEU 6 -0.347 -2.527 1.396 44 HB2 LEU 6 HB2 LEU 6 -1.557 -0.383 2.568 45 HB3 LEU 6 HB3 LEU 6 0.086 -0.133 3.134 46 HG LEU 6 HG LEU 6 -0.635 -0.626 0.212 47 HD11 LEU 6 HD11 LEU 6 -1.836 1.362 0.987 48 HD12 LEU 6 HD12 LEU 6 -0.340 2.044 1.658 49 HD13 LEU 6 HD13 LEU 6 -0.516 1.805 -0.101 50 HD21 LEU 6 HD21 LEU 6 1.801 0.674 1.489 51 HD22 LEU 6 HD22 LEU 6 1.754 -0.953 0.759 52 HD23 LEU 6 HD23 LEU 6 1.514 0.468 -0.252 53 H ILE 7 H ILE 7 1.563 -3.599 1.420 54 HA ILE 7 HA ILE 7 3.438 -3.323 3.687 55 HB ILE 7 HB ILE 7 2.344 -5.567 3.658 56 HG12 ILE 7 HG12 ILE 7 5.302 -5.806 2.943 57 HG13 ILE 7 HG13 ILE 7 4.713 -5.177 4.468 58 HG21 ILE 7 HG21 ILE 7 2.164 -5.793 1.109 59 HG22 ILE 7 HG22 ILE 7 3.879 -6.150 1.098 60 HG23 ILE 7 HG23 ILE 7 2.752 -7.214 1.946 61 HD11 ILE 7 HD11 ILE 7 4.284 -8.001 3.451 62 HD12 ILE 7 HD12 ILE 7 5.301 -7.477 4.797 63 HD13 ILE 7 HD13 ILE 7 3.535 -7.341 4.915 64 H LEU 8 H LEU 8 5.473 -2.762 3.257 65 HA LEU 8 HA LEU 8 6.256 -2.422 0.386 66 HB2 LEU 8 HB2 LEU 8 6.996 -0.664 2.769 67 HB3 LEU 8 HB3 LEU 8 7.554 -0.475 1.122 68 HG LEU 8 HG LEU 8 5.957 1.196 1.521 69 HD11 LEU 8 HD11 LEU 8 4.584 -0.946 -0.156 70 HD12 LEU 8 HD12 LEU 8 4.220 0.774 -0.197 71 HD13 LEU 8 HD13 LEU 8 5.803 0.212 -0.728 72 HD21 LEU 8 HD21 LEU 8 3.720 -0.697 2.206 73 HD22 LEU 8 HD22 LEU 8 4.781 -0.022 3.446 74 HD23 LEU 8 HD23 LEU 8 3.836 1.058 2.413 75 H ASN 9 H ASN 9 8.244 -3.246 -0.197 76 HA ASN 9 HA ASN 9 9.981 -4.387 1.953 77 HB2 ASN 9 HB2 ASN 9 9.543 -5.405 -0.884 78 HB3 ASN 9 HB3 ASN 9 10.835 -5.911 0.176 79 HD21 ASN 9 HD21 ASN 9 7.021 -7.310 0.827 80 HD22 ASN 9 HD22 ASN 9 7.340 -5.971 -0.259 81 H GLY 10 H GLY 10 10.684 -2.034 2.037 82 HA2 GLY 10 HA2 GLY 10 12.052 -0.986 -0.294 83 HA3 GLY 10 HA3 GLY 10 11.946 -0.262 1.310 84 H LYS 11 H LYS 11 14.247 -0.359 -0.214 85 HA LYS 11 HA LYS 11 16.066 -2.476 0.427 86 HB2 LYS 11 HB2 LYS 11 16.414 -0.963 -1.458 87 HB3 LYS 11 HB3 LYS 11 16.489 0.440 -0.377 88 HG2 LYS 11 HG2 LYS 11 18.583 -0.279 0.562 89 HG3 LYS 11 HG3 LYS 11 18.493 -1.836 -0.288 90 HD2 LYS 11 HD2 LYS 11 18.756 -0.746 -2.441 91 HD3 LYS 11 HD3 LYS 11 18.667 0.867 -1.688 92 HE2 LYS 11 HE2 LYS 11 20.739 0.578 -0.531 93 HE3 LYS 11 HE3 LYS 11 20.741 -1.169 -0.827 94 HZ1 LYS 11 HZ1 LYS 11 22.312 0.008 -2.218 95 HZ2 LYS 11 HZ2 LYS 11 21.205 -0.813 -3.089 96 HZ3 LYS 11 HZ3 LYS 11 21.082 0.814 -2.991 97 H THR 12 H THR 12 15.286 0.622 2.072 98 HA THR 12 HA THR 12 16.960 -0.335 4.350 99 HB THR 12 HB THR 12 17.995 1.438 2.945 100 HG1 THR 12 HG1 THR 12 18.473 1.027 5.170 101 HG21 THR 12 HG21 THR 12 17.345 3.764 3.214 102 HG22 THR 12 HG22 THR 12 16.024 2.858 2.468 103 HG23 THR 12 HG23 THR 12 15.940 3.300 4.188 104 H LEU 13 H LEU 13 13.758 0.712 3.436 105 HA LEU 13 HA LEU 13 13.018 0.747 6.326 106 HB2 LEU 13 HB2 LEU 13 12.105 2.509 4.039 107 HB3 LEU 13 HB3 LEU 13 11.183 2.363 5.529 108 HG LEU 13 HG LEU 13 14.107 3.211 5.568 109 HD11 LEU 13 HD11 LEU 13 12.989 4.742 4.082 110 HD12 LEU 13 HD12 LEU 13 11.665 4.968 5.230 111 HD13 LEU 13 HD13 LEU 13 13.298 5.549 5.638 112 HD21 LEU 13 HD21 LEU 13 13.203 2.546 7.733 113 HD22 LEU 13 HD22 LEU 13 13.448 4.291 7.698 114 HD23 LEU 13 HD23 LEU 13 11.806 3.637 7.521 115 H LYS 14 H LYS 14 11.214 -0.452 6.849 116 HA LYS 14 HA LYS 14 9.592 -1.619 4.658 117 HB2 LYS 14 HB2 LYS 14 10.965 -3.260 6.836 118 HB3 LYS 14 HB3 LYS 14 9.764 -3.863 5.695 119 HG2 LYS 14 HG2 LYS 14 11.335 -3.262 3.802 120 HG3 LYS 14 HG3 LYS 14 12.571 -2.889 5.031 121 HD2 LYS 14 HD2 LYS 14 12.196 -5.210 5.979 122 HD3 LYS 14 HD3 LYS 14 11.132 -5.530 4.592 123 HE2 LYS 14 HE2 LYS 14 13.032 -5.055 3.050 124 HE3 LYS 14 HE3 LYS 14 14.078 -4.782 4.459 125 HZ1 LYS 14 HZ1 LYS 14 12.645 -7.300 3.870 126 HZ2 LYS 14 HZ2 LYS 14 14.239 -7.040 3.586 127 HZ3 LYS 14 HZ3 LYS 14 13.658 -7.043 5.148 128 H GLY 15 H GLY 15 7.597 -2.617 5.452 129 HA2 GLY 15 HA2 GLY 15 6.726 -2.665 8.090 130 HA3 GLY 15 HA3 GLY 15 6.291 -1.074 7.432 131 H GLU 16 H GLU 16 4.262 -2.748 8.162 132 HA GLU 16 HA GLU 16 2.911 -3.312 5.657 133 HB2 GLU 16 HB2 GLU 16 2.133 -5.449 6.198 134 HB3 GLU 16 HB3 GLU 16 3.877 -5.536 6.442 135 HG2 GLU 16 HG2 GLU 16 3.654 -5.551 8.830 136 HG3 GLU 16 HG3 GLU 16 1.929 -5.180 8.736 137 H THR 17 H THR 17 0.755 -2.609 5.831 138 HA THR 17 HA THR 17 -0.257 -2.087 8.571 139 HB THR 17 HB THR 17 1.021 -0.063 7.886 140 HG1 THR 17 HG1 THR 17 -0.513 1.323 8.554 141 HG21 THR 17 HG21 THR 17 0.037 1.431 6.188 142 HG22 THR 17 HG22 THR 17 0.659 -0.054 5.474 143 HG23 THR 17 HG23 THR 17 -1.097 0.170 5.694 144 H THR 18 H THR 18 -2.551 -1.115 8.376 145 HA THR 18 HA THR 18 -4.082 -2.180 6.116 146 HB THR 18 HB THR 18 -3.663 -3.987 7.870 147 HG1 THR 18 HG1 THR 18 -5.581 -4.814 7.620 148 HG21 THR 18 HG21 THR 18 -5.068 -4.028 9.871 149 HG22 THR 18 HG22 THR 18 -3.968 -2.647 9.918 150 HG23 THR 18 HG23 THR 18 -5.689 -2.414 9.517 151 H THR 19 H THR 19 -5.995 -0.972 5.833 152 HA THR 19 HA THR 19 -6.868 0.929 7.840 153 HB THR 19 HB THR 19 -6.774 2.866 6.346 154 HG1 THR 19 HG1 THR 19 -5.089 1.370 4.651 155 HG21 THR 19 HG21 THR 19 -4.437 3.447 6.354 156 HG22 THR 19 HG22 THR 19 -4.840 2.606 7.853 157 HG23 THR 19 HG23 THR 19 -3.950 1.753 6.570 158 H GLU 20 H GLU 20 -8.888 2.103 6.906 159 HA GLU 20 HA GLU 20 -10.423 0.359 5.054 160 HB2 GLU 20 HB2 GLU 20 -11.416 1.769 7.551 161 HB3 GLU 20 HB3 GLU 20 -12.412 0.825 6.444 162 HG2 GLU 20 HG2 GLU 20 -11.443 -1.243 7.148 163 HG3 GLU 20 HG3 GLU 20 -10.106 -0.441 7.997 164 H ALA 21 H ALA 21 -11.968 1.609 3.700 165 HA ALA 21 HA ALA 21 -11.839 4.557 3.955 166 HB1 ALA 21 HB1 ALA 21 -11.334 4.807 1.541 167 HB2 ALA 21 HB2 ALA 21 -10.002 4.017 2.401 168 HB3 ALA 21 HB3 ALA 21 -11.115 3.054 1.397 169 H VAL 22 H VAL 22 -13.623 5.634 3.038 170 HA VAL 22 HA VAL 22 -16.086 4.286 2.983 171 HB VAL 22 HB VAL 22 -16.992 6.372 1.925 172 HG11 VAL 22 HG11 VAL 22 -15.227 6.912 4.322 173 HG12 VAL 22 HG12 VAL 22 -16.718 7.751 3.860 174 HG13 VAL 22 HG13 VAL 22 -16.790 6.062 4.387 175 HG21 VAL 22 HG21 VAL 22 -14.099 7.355 2.053 176 HG22 VAL 22 HG22 VAL 22 -15.149 7.230 0.617 177 HG23 VAL 22 HG23 VAL 22 -15.519 8.390 1.880 178 H ASP 23 H ASP 23 -14.053 5.322 0.220 179 HA ASP 23 HA ASP 23 -15.150 3.234 -1.526 180 HB2 ASP 23 HB2 ASP 23 -16.629 4.971 -2.152 181 HB3 ASP 23 HB3 ASP 23 -15.364 6.189 -2.112 182 H ALA 24 H ALA 24 -13.656 2.923 -3.350 183 HA ALA 24 HA ALA 24 -10.985 2.916 -2.478 184 HB1 ALA 24 HB1 ALA 24 -10.471 2.090 -4.757 185 HB2 ALA 24 HB2 ALA 24 -12.157 2.398 -5.224 186 HB3 ALA 24 HB3 ALA 24 -11.764 1.210 -3.941 187 H ALA 25 H ALA 25 -12.686 5.574 -4.109 188 HA ALA 25 HA ALA 25 -10.564 6.787 -5.434 189 HB1 ALA 25 HB1 ALA 25 -12.898 7.629 -5.452 190 HB2 ALA 25 HB2 ALA 25 -12.721 8.191 -3.784 191 HB3 ALA 25 HB3 ALA 25 -11.739 8.917 -5.078 192 H THR 26 H THR 26 -11.415 7.182 -1.983 193 HA THR 26 HA THR 26 -9.208 8.892 -1.288 194 HB THR 26 HB THR 26 -10.813 7.000 0.494 195 HG1 THR 26 HG1 THR 26 -11.867 9.096 0.967 196 HG21 THR 26 HG21 THR 26 -10.253 8.552 2.321 197 HG22 THR 26 HG22 THR 26 -8.797 7.845 1.652 198 HG23 THR 26 HG23 THR 26 -9.249 9.515 1.225 199 H ALA 27 H ALA 27 -9.604 5.349 -1.386 200 HA ALA 27 HA ALA 27 -7.221 4.719 0.058 201 HB1 ALA 27 HB1 ALA 27 -8.713 3.063 -2.004 202 HB2 ALA 27 HB2 ALA 27 -7.553 2.467 -0.798 203 HB3 ALA 27 HB3 ALA 27 -9.105 3.132 -0.267 204 H GLU 28 H GLU 28 -7.926 4.885 -3.501 205 HA GLU 28 HA GLU 28 -5.399 4.257 -4.443 206 HB2 GLU 28 HB2 GLU 28 -7.513 4.438 -5.711 207 HB3 GLU 28 HB3 GLU 28 -7.414 6.198 -5.613 208 HG2 GLU 28 HG2 GLU 28 -5.303 6.146 -6.915 209 HG3 GLU 28 HG3 GLU 28 -5.345 4.381 -6.925 210 H LYS 29 H LYS 29 -6.537 7.329 -3.165 211 HA LYS 29 HA LYS 29 -4.176 8.884 -3.878 212 HB2 LYS 29 HB2 LYS 29 -6.380 9.389 -1.812 213 HB3 LYS 29 HB3 LYS 29 -5.153 10.569 -2.281 214 HG2 LYS 29 HG2 LYS 29 -6.029 10.735 -4.524 215 HG3 LYS 29 HG3 LYS 29 -6.999 9.289 -4.304 216 HD2 LYS 29 HD2 LYS 29 -8.334 10.539 -2.541 217 HD3 LYS 29 HD3 LYS 29 -7.517 12.015 -3.100 218 HE2 LYS 29 HE2 LYS 29 -8.320 11.556 -5.417 219 HE3 LYS 29 HE3 LYS 29 -9.090 10.071 -4.853 220 HZ1 LYS 29 HZ1 LYS 29 -9.832 12.812 -4.080 221 HZ2 LYS 29 HZ2 LYS 29 -10.687 11.773 -5.016 222 HZ3 LYS 29 HZ3 LYS 29 -10.498 11.452 -3.408 223 H VAL 30 H VAL 30 -5.418 7.405 -0.827 224 HA VAL 30 HA VAL 30 -3.179 8.137 0.695 225 HB VAL 30 HB VAL 30 -5.544 7.156 1.439 226 HG11 VAL 30 HG11 VAL 30 -3.752 4.754 1.935 227 HG12 VAL 30 HG12 VAL 30 -5.414 5.000 2.507 228 HG13 VAL 30 HG13 VAL 30 -5.094 4.783 0.785 229 HG21 VAL 30 HG21 VAL 30 -4.596 6.965 3.709 230 HG22 VAL 30 HG22 VAL 30 -2.948 6.903 3.026 231 HG23 VAL 30 HG23 VAL 30 -3.948 8.359 2.849 232 H PHE 31 H PHE 31 -3.611 5.333 -1.486 233 HA PHE 31 HA PHE 31 -1.547 3.723 -0.505 234 HB2 PHE 31 HB2 PHE 31 -2.208 4.331 -3.421 235 HB3 PHE 31 HB3 PHE 31 -1.278 2.958 -2.856 236 HD1 PHE 31 HD1 PHE 31 -3.611 2.706 -0.408 237 HD2 PHE 31 HD2 PHE 31 -3.373 2.567 -4.728 238 HE1 PHE 31 HE1 PHE 31 -5.520 1.150 -0.481 239 HE2 PHE 31 HE2 PHE 31 -5.321 1.044 -4.777 240 HZ PHE 31 HZ PHE 31 -6.373 0.312 -2.658 241 H LYS 32 H LYS 32 -1.227 6.465 -2.875 242 HA LYS 32 HA LYS 32 1.643 6.064 -2.993 243 HB2 LYS 32 HB2 LYS 32 0.405 7.014 -4.862 244 HB3 LYS 32 HB3 LYS 32 -0.054 8.434 -3.905 245 HG2 LYS 32 HG2 LYS 32 2.121 9.311 -3.906 246 HG3 LYS 32 HG3 LYS 32 2.885 7.725 -4.135 247 HD2 LYS 32 HD2 LYS 32 2.158 7.585 -6.408 248 HD3 LYS 32 HD3 LYS 32 1.242 9.108 -6.282 249 HE2 LYS 32 HE2 LYS 32 3.172 10.427 -6.145 250 HE3 LYS 32 HE3 LYS 32 4.197 9.067 -5.657 251 HZ1 LYS 32 HZ1 LYS 32 2.935 9.119 -8.308 252 HZ2 LYS 32 HZ2 LYS 32 4.425 9.829 -7.998 253 HZ3 LYS 32 HZ3 LYS 32 4.186 8.207 -7.782 254 H GLN 33 H GLN 33 -0.460 8.404 -1.313 255 HA GLN 33 HA GLN 33 1.522 10.025 -0.165 256 HB2 GLN 33 HB2 GLN 33 -0.858 10.553 -0.171 257 HB3 GLN 33 HB3 GLN 33 -1.225 9.105 0.764 258 HG2 GLN 33 HG2 GLN 33 0.047 10.077 2.712 259 HG3 GLN 33 HG3 GLN 33 0.206 11.575 1.789 260 HE21 GLN 33 HE21 GLN 33 -3.182 10.882 3.817 261 HE22 GLN 33 HE22 GLN 33 -1.817 9.796 3.950 262 H TYR 34 H TYR 34 -0.050 7.086 1.233 263 HA TYR 34 HA TYR 34 1.467 7.105 3.626 264 HB2 TYR 34 HB2 TYR 34 -0.702 5.943 3.398 265 HB3 TYR 34 HB3 TYR 34 -0.002 4.815 2.229 266 HD1 TYR 34 HD1 TYR 34 1.351 2.931 2.975 267 HD2 TYR 34 HD2 TYR 34 0.233 6.074 5.689 268 HE1 TYR 34 HE1 TYR 34 2.532 1.744 4.796 269 HE2 TYR 34 HE2 TYR 34 1.443 4.903 7.537 270 HH TYR 34 HH TYR 34 3.061 3.282 7.954 271 H ALA 35 H ALA 35 1.788 4.990 0.671 272 HA ALA 35 HA ALA 35 4.022 3.603 1.643 273 HB1 ALA 35 HB1 ALA 35 3.323 4.255 -1.241 274 HB2 ALA 35 HB2 ALA 35 4.386 2.953 -0.667 275 HB3 ALA 35 HB3 ALA 35 2.672 2.901 -0.265 276 H ASN 36 H ASN 36 3.894 6.741 -0.070 277 HA ASN 36 HA ASN 36 6.639 7.078 -0.576 278 HB2 ASN 36 HB2 ASN 36 5.105 8.598 -1.539 279 HB3 ASN 36 HB3 ASN 36 4.418 9.038 0.031 280 HD21 ASN 36 HD21 ASN 36 8.140 10.523 -0.953 281 HD22 ASN 36 HD22 ASN 36 7.465 9.183 -1.870 282 H ASP 37 H ASP 37 4.926 7.299 2.565 283 HA ASP 37 HA ASP 37 6.938 8.807 3.898 284 HB2 ASP 37 HB2 ASP 37 4.539 8.312 4.655 285 HB3 ASP 37 HB3 ASP 37 5.145 6.747 5.218 286 H ASN 38 H ASN 38 6.828 5.455 2.923 287 HA ASN 38 HA ASN 38 9.010 4.545 4.704 288 HB2 ASN 38 HB2 ASN 38 7.223 3.270 2.648 289 HB3 ASN 38 HB3 ASN 38 8.808 2.573 2.869 290 HD21 ASN 38 HD21 ASN 38 5.943 1.338 5.278 291 HD22 ASN 38 HD22 ASN 38 5.682 2.324 3.872 292 H GLY 39 H GLY 39 9.011 6.683 2.153 293 HA2 GLY 39 HA2 GLY 39 10.586 7.424 0.686 294 HA3 GLY 39 HA3 GLY 39 11.778 6.488 1.613 295 H VAL 40 H VAL 40 8.956 5.212 -0.084 296 HA VAL 40 HA VAL 40 10.491 3.218 -1.424 297 HB VAL 40 HB VAL 40 8.276 2.471 -2.243 298 HG11 VAL 40 HG11 VAL 40 7.267 2.002 -0.105 299 HG12 VAL 40 HG12 VAL 40 9.032 1.879 0.040 300 HG13 VAL 40 HG13 VAL 40 8.180 3.313 0.659 301 HG21 VAL 40 HG21 VAL 40 7.380 5.185 -1.210 302 HG22 VAL 40 HG22 VAL 40 7.039 4.425 -2.764 303 HG23 VAL 40 HG23 VAL 40 6.264 3.848 -1.281 304 H ASP 41 H ASP 41 10.790 2.748 -3.423 305 HA ASP 41 HA ASP 41 10.017 4.375 -5.741 306 HB2 ASP 41 HB2 ASP 41 12.250 5.138 -4.847 307 HB3 ASP 41 HB3 ASP 41 12.882 3.512 -5.121 308 H GLY 42 H GLY 42 8.756 2.610 -6.832 309 HA2 GLY 42 HA2 GLY 42 10.036 0.347 -7.722 310 HA3 GLY 42 HA3 GLY 42 9.401 -0.138 -6.148 311 H GLU 43 H GLU 43 8.500 -1.569 -8.009 312 HA GLU 43 HA GLU 43 6.073 -0.686 -9.338 313 HB2 GLU 43 HB2 GLU 43 6.027 -2.961 -10.238 314 HB3 GLU 43 HB3 GLU 43 7.477 -2.077 -10.643 315 HG2 GLU 43 HG2 GLU 43 8.867 -3.394 -9.258 316 HG3 GLU 43 HG3 GLU 43 7.518 -4.015 -8.317 317 H TRP 44 H TRP 44 4.003 -1.630 -9.014 318 HA TRP 44 HA TRP 44 3.539 -2.663 -6.265 319 HB2 TRP 44 HB2 TRP 44 1.845 -0.979 -8.150 320 HB3 TRP 44 HB3 TRP 44 1.269 -1.660 -6.639 321 HD1 TRP 44 HD1 TRP 44 4.469 0.431 -7.457 322 HE1 TRP 44 HE1 TRP 44 4.932 1.896 -5.489 323 HE3 TRP 44 HE3 TRP 44 0.356 -0.665 -4.649 324 HZ2 TRP 44 HZ2 TRP 44 3.286 3.134 -3.338 325 HZ3 TRP 44 HZ3 TRP 44 -0.121 0.626 -2.589 326 HH2 TRP 44 HH2 TRP 44 1.298 2.525 -1.950 327 H THR 45 H THR 45 2.108 -4.329 -5.902 328 HA THR 45 HA THR 45 0.826 -5.789 -8.133 329 HB THR 45 HB THR 45 2.531 -6.988 -5.886 330 HG1 THR 45 HG1 THR 45 3.689 -6.145 -7.795 331 HG21 THR 45 HG21 THR 45 2.174 -9.138 -7.155 332 HG22 THR 45 HG22 THR 45 0.699 -8.517 -6.406 333 HG23 THR 45 HG23 THR 45 0.972 -8.309 -8.155 334 H TYR 46 H TYR 46 -1.108 -7.055 -7.224 335 HA TYR 46 HA TYR 46 -1.890 -6.285 -4.479 336 HB2 TYR 46 HB2 TYR 46 -2.872 -4.597 -5.830 337 HB3 TYR 46 HB3 TYR 46 -3.409 -5.739 -7.025 338 HD1 TYR 46 HD1 TYR 46 -3.851 -4.956 -3.390 339 HD2 TYR 46 HD2 TYR 46 -5.646 -6.528 -6.979 340 HE1 TYR 46 HE1 TYR 46 -6.063 -4.953 -2.287 341 HE2 TYR 46 HE2 TYR 46 -7.856 -6.578 -5.860 342 HH TYR 46 HH TYR 46 -9.000 -6.300 -3.680 343 H ASP 47 H ASP 47 -3.088 -7.715 -3.413 344 HA ASP 47 HA ASP 47 -4.041 -10.254 -4.621 345 HB2 ASP 47 HB2 ASP 47 -2.050 -9.798 -2.450 346 HB3 ASP 47 HB3 ASP 47 -3.339 -10.926 -2.039 347 H ASP 48 H ASP 48 -6.158 -9.643 -4.709 348 HA ASP 48 HA ASP 48 -7.602 -8.083 -2.922 349 HB2 ASP 48 HB2 ASP 48 -8.261 -8.749 -5.257 350 HB3 ASP 48 HB3 ASP 48 -8.744 -10.320 -4.617 351 H ALA 49 H ALA 49 -6.890 -11.514 -2.425 352 HA ALA 49 HA ALA 49 -9.076 -12.177 -0.800 353 HB1 ALA 49 HB1 ALA 49 -7.423 -13.814 -1.577 354 HB2 ALA 49 HB2 ALA 49 -6.185 -13.113 -0.506 355 HB3 ALA 49 HB3 ALA 49 -7.617 -13.914 0.174 356 H THR 50 H THR 50 -6.195 -10.370 0.078 357 HA THR 50 HA THR 50 -7.361 -9.707 2.737 358 HB THR 50 HB THR 50 -5.771 -11.215 3.369 359 HG1 THR 50 HG1 THR 50 -4.819 -8.665 3.478 360 HG21 THR 50 HG21 THR 50 -4.039 -10.371 1.043 361 HG22 THR 50 HG22 THR 50 -3.432 -11.367 2.399 362 HG23 THR 50 HG23 THR 50 -4.753 -11.936 1.380 363 H LYS 51 H LYS 51 -6.953 -8.430 -0.198 364 HA LYS 51 HA LYS 51 -6.596 -6.708 -1.228 365 HB2 LYS 51 HB2 LYS 51 -7.653 -5.467 1.322 366 HB3 LYS 51 HB3 LYS 51 -7.558 -4.646 -0.261 367 HG2 LYS 51 HG2 LYS 51 -8.849 -6.706 -1.176 368 HG3 LYS 51 HG3 LYS 51 -9.201 -7.098 0.498 369 HD2 LYS 51 HD2 LYS 51 -10.512 -5.127 0.785 370 HD3 LYS 51 HD3 LYS 51 -9.949 -4.424 -0.763 371 HE2 LYS 51 HE2 LYS 51 -11.093 -6.155 -2.008 372 HE3 LYS 51 HE3 LYS 51 -11.358 -7.091 -0.530 373 HZ1 LYS 51 HZ1 LYS 51 -12.864 -5.407 0.252 374 HZ2 LYS 51 HZ2 LYS 51 -12.651 -4.507 -1.118 375 HZ3 LYS 51 HZ3 LYS 51 -13.341 -5.994 -1.202 376 H THR 52 H THR 52 -4.444 -7.887 -0.158 377 HA THR 52 HA THR 52 -2.496 -6.158 0.971 378 HB THR 52 HB THR 52 -2.632 -8.933 -0.203 379 HG1 THR 52 HG1 THR 52 -2.441 -9.410 2.001 380 HG21 THR 52 HG21 THR 52 -0.151 -7.845 1.180 381 HG22 THR 52 HG22 THR 52 -0.447 -9.501 0.644 382 HG23 THR 52 HG23 THR 52 -0.267 -8.211 -0.553 383 H PHE 53 H PHE 53 -1.529 -4.600 -0.086 384 HA PHE 53 HA PHE 53 -0.912 -4.842 -2.979 385 HB2 PHE 53 HB2 PHE 53 -1.143 -2.485 -1.073 386 HB3 PHE 53 HB3 PHE 53 -0.386 -2.373 -2.655 387 HD1 PHE 53 HD1 PHE 53 -1.652 -2.552 -4.734 388 HD2 PHE 53 HD2 PHE 53 -3.608 -2.721 -0.888 389 HE1 PHE 53 HE1 PHE 53 -3.810 -1.970 -5.805 390 HE2 PHE 53 HE2 PHE 53 -5.751 -2.092 -1.957 391 HZ PHE 53 HZ PHE 53 -5.837 -1.672 -4.439 392 H THR 54 H THR 54 1.260 -5.131 -3.416 393 HA THR 54 HA THR 54 3.197 -4.864 -1.180 394 HB THR 54 HB THR 54 3.087 -7.136 -3.200 395 HG1 THR 54 HG1 THR 54 2.681 -8.313 -1.194 396 HG21 THR 54 HG21 THR 54 4.743 -8.169 -1.566 397 HG22 THR 54 HG22 THR 54 5.366 -6.813 -2.504 398 HG23 THR 54 HG23 THR 54 4.898 -6.574 -0.810 399 H VAL 55 H VAL 55 5.205 -4.125 -1.722 400 HA VAL 55 HA VAL 55 5.828 -3.389 -4.513 401 HB VAL 55 HB VAL 55 5.847 -1.672 -2.035 402 HG11 VAL 55 HG11 VAL 55 7.424 -1.079 -4.585 403 HG12 VAL 55 HG12 VAL 55 7.127 0.064 -3.260 404 HG13 VAL 55 HG13 VAL 55 8.112 -1.354 -2.966 405 HG21 VAL 55 HG21 VAL 55 3.898 -1.775 -3.766 406 HG22 VAL 55 HG22 VAL 55 4.534 -0.185 -3.350 407 HG23 VAL 55 HG23 VAL 55 5.021 -0.977 -4.867 408 H THR 56 H THR 56 7.887 -3.766 -5.095 409 HA THR 56 HA THR 56 9.830 -4.757 -3.075 410 HB THR 56 HB THR 56 10.545 -6.315 -4.953 411 HG1 THR 56 HG1 THR 56 9.367 -5.179 -6.585 412 HG21 THR 56 HG21 THR 56 9.210 -7.097 -3.014 413 HG22 THR 56 HG22 THR 56 7.711 -6.734 -3.896 414 HG23 THR 56 HG23 THR 56 8.816 -7.979 -4.500 415 H GLU 57 H GLU 57 11.382 -3.214 -2.954 416 HA GLU 57 HA GLU 57 11.974 -1.329 -5.077 417 HB2 GLU 57 HB2 GLU 57 12.238 -1.082 -2.533 418 HB3 GLU 57 HB3 GLU 57 13.698 -2.044 -2.663 419 HG2 GLU 57 HG2 GLU 57 14.802 -0.414 -4.037 420 HG3 GLU 57 HG3 GLU 57 13.316 0.493 -4.287 Start of MODEL 17 1 H1 MET 1 H MET 1 -16.998 1.108 3.224 2 HA MET 1 HA MET 1 -17.219 0.086 1.035 3 HB2 MET 1 HB2 MET 1 -15.921 1.535 -0.274 4 HB3 MET 1 HB3 MET 1 -14.448 1.235 0.658 5 HG2 MET 1 HG2 MET 1 -14.351 0.127 -1.508 6 HG3 MET 1 HG3 MET 1 -14.368 -1.062 -0.221 7 HE1 MET 1 HE1 MET 1 -17.133 1.023 -2.208 8 HE2 MET 1 HE2 MET 1 -15.991 0.326 -3.382 9 HE3 MET 1 HE3 MET 1 -17.669 -0.240 -3.328 10 H GLY 2 H GLY 2 -13.775 -0.314 2.250 11 HA2 GLY 2 HA2 GLY 2 -14.483 -2.568 3.821 12 HA3 GLY 2 HA3 GLY 2 -13.804 -3.052 2.250 13 H THR 3 H THR 3 -12.067 -3.898 3.771 14 HA THR 3 HA THR 3 -10.185 -1.772 4.481 15 HB THR 3 HB THR 3 -10.854 -3.017 6.407 16 HG1 THR 3 HG1 THR 3 -8.665 -2.416 6.171 17 HG21 THR 3 HG21 THR 3 -11.571 -5.151 5.437 18 HG22 THR 3 HG22 THR 3 -9.897 -5.530 4.973 19 HG23 THR 3 HG23 THR 3 -10.343 -5.412 6.693 20 H TYR 4 H TYR 4 -8.049 -1.876 3.838 21 HA TYR 4 HA TYR 4 -7.282 -3.852 1.777 22 HB2 TYR 4 HB2 TYR 4 -7.034 -0.834 1.503 23 HB3 TYR 4 HB3 TYR 4 -6.415 -2.033 0.382 24 HD1 TYR 4 HD1 TYR 4 -7.843 -2.846 -1.425 25 HD2 TYR 4 HD2 TYR 4 -9.611 -0.654 1.857 26 HE1 TYR 4 HE1 TYR 4 -10.044 -2.847 -2.585 27 HE2 TYR 4 HE2 TYR 4 -11.799 -0.782 0.754 28 HH TYR 4 HH TYR 4 -12.394 -2.602 -2.252 29 H LYS 5 H LYS 5 -5.114 -4.517 2.006 30 HA LYS 5 HA LYS 5 -3.718 -3.379 4.391 31 HB2 LYS 5 HB2 LYS 5 -4.377 -5.727 4.320 32 HB3 LYS 5 HB3 LYS 5 -3.400 -5.983 2.888 33 HG2 LYS 5 HG2 LYS 5 -1.341 -5.496 4.223 34 HG3 LYS 5 HG3 LYS 5 -2.370 -5.259 5.665 35 HD2 LYS 5 HD2 LYS 5 -3.270 -7.540 5.418 36 HD3 LYS 5 HD3 LYS 5 -2.288 -7.782 3.963 37 HE2 LYS 5 HE2 LYS 5 -0.236 -7.433 5.444 38 HE3 LYS 5 HE3 LYS 5 -1.338 -7.496 6.834 39 HZ1 LYS 5 HZ1 LYS 5 -0.437 -9.663 6.367 40 HZ2 LYS 5 HZ2 LYS 5 -2.043 -9.713 6.012 41 HZ3 LYS 5 HZ3 LYS 5 -0.915 -9.600 4.801 42 H LEU 6 H LEU 6 -1.718 -2.441 4.259 43 HA LEU 6 HA LEU 6 -0.450 -2.115 1.558 44 HB2 LEU 6 HB2 LEU 6 -0.908 -0.072 3.748 45 HB3 LEU 6 HB3 LEU 6 0.249 0.172 2.440 46 HG LEU 6 HG LEU 6 -2.628 -0.505 1.795 47 HD11 LEU 6 HD11 LEU 6 -2.588 1.455 3.369 48 HD12 LEU 6 HD12 LEU 6 -1.607 2.336 2.193 49 HD13 LEU 6 HD13 LEU 6 -3.258 1.800 1.778 50 HD21 LEU 6 HD21 LEU 6 -0.708 1.284 0.262 51 HD22 LEU 6 HD22 LEU 6 -0.615 -0.467 0.132 52 HD23 LEU 6 HD23 LEU 6 -2.108 0.346 -0.334 53 H ILE 7 H ILE 7 1.325 -3.261 1.617 54 HA ILE 7 HA ILE 7 3.292 -3.008 3.835 55 HB ILE 7 HB ILE 7 2.270 -5.127 4.086 56 HG12 ILE 7 HG12 ILE 7 4.859 -5.813 2.655 57 HG13 ILE 7 HG13 ILE 7 4.821 -4.907 4.163 58 HG21 ILE 7 HG21 ILE 7 2.221 -6.897 2.314 59 HG22 ILE 7 HG22 ILE 7 1.199 -5.507 1.947 60 HG23 ILE 7 HG23 ILE 7 2.764 -5.687 1.140 61 HD11 ILE 7 HD11 ILE 7 3.515 -6.773 5.238 62 HD12 ILE 7 HD12 ILE 7 3.791 -7.725 3.768 63 HD13 ILE 7 HD13 ILE 7 5.162 -7.193 4.752 64 H LEU 8 H LEU 8 5.314 -2.509 3.355 65 HA LEU 8 HA LEU 8 6.101 -2.192 0.504 66 HB2 LEU 8 HB2 LEU 8 6.803 -0.350 2.817 67 HB3 LEU 8 HB3 LEU 8 7.377 -0.224 1.174 68 HG LEU 8 HG LEU 8 5.781 1.451 1.408 69 HD11 LEU 8 HD11 LEU 8 4.441 -0.854 -0.058 70 HD12 LEU 8 HD12 LEU 8 3.862 0.801 -0.108 71 HD13 LEU 8 HD13 LEU 8 5.459 0.410 -0.745 72 HD21 LEU 8 HD21 LEU 8 4.673 0.580 3.469 73 HD22 LEU 8 HD22 LEU 8 3.629 1.365 2.278 74 HD23 LEU 8 HD23 LEU 8 3.620 -0.397 2.417 75 H ASN 9 H ASN 9 8.208 -2.750 -0.076 76 HA ASN 9 HA ASN 9 9.956 -3.916 2.021 77 HB2 ASN 9 HB2 ASN 9 9.558 -5.022 -0.777 78 HB3 ASN 9 HB3 ASN 9 10.616 -5.649 0.466 79 HD21 ASN 9 HD21 ASN 9 6.808 -6.867 0.133 80 HD22 ASN 9 HD22 ASN 9 7.457 -5.548 -0.804 81 H GLY 10 H GLY 10 11.627 -2.441 2.128 82 HA2 GLY 10 HA2 GLY 10 12.742 -1.312 -0.388 83 HA3 GLY 10 HA3 GLY 10 12.783 -0.565 1.214 84 H LYS 11 H LYS 11 15.156 -0.537 0.302 85 HA LYS 11 HA LYS 11 16.657 -3.022 0.459 86 HB2 LYS 11 HB2 LYS 11 17.336 -1.052 -0.890 87 HB3 LYS 11 HB3 LYS 11 17.613 -0.119 0.590 88 HG2 LYS 11 HG2 LYS 11 19.420 -1.644 1.257 89 HG3 LYS 11 HG3 LYS 11 19.050 -2.702 -0.117 90 HD2 LYS 11 HD2 LYS 11 19.638 -0.892 -1.692 91 HD3 LYS 11 HD3 LYS 11 20.073 0.162 -0.342 92 HE2 LYS 11 HE2 LYS 11 21.370 -2.545 -0.953 93 HE3 LYS 11 HE3 LYS 11 22.006 -0.988 -1.484 94 HZ1 LYS 11 HZ1 LYS 11 23.152 -1.546 0.463 95 HZ2 LYS 11 HZ2 LYS 11 22.162 -0.347 0.888 96 HZ3 LYS 11 HZ3 LYS 11 21.798 -1.903 1.316 97 H THR 12 H THR 12 16.287 -0.226 2.732 98 HA THR 12 HA THR 12 17.100 -2.025 4.924 99 HB THR 12 HB THR 12 19.011 -0.772 4.374 100 HG1 THR 12 HG1 THR 12 17.669 -0.183 6.730 101 HG21 THR 12 HG21 THR 12 19.223 1.632 4.578 102 HG22 THR 12 HG22 THR 12 18.140 1.210 3.276 103 HG23 THR 12 HG23 THR 12 17.466 1.799 4.822 104 H LEU 13 H LEU 13 14.468 -0.525 3.705 105 HA LEU 13 HA LEU 13 13.362 0.007 6.417 106 HB2 LEU 13 HB2 LEU 13 12.912 1.512 3.804 107 HB3 LEU 13 HB3 LEU 13 11.883 1.695 5.218 108 HG LEU 13 HG LEU 13 14.862 2.342 5.197 109 HD11 LEU 13 HD11 LEU 13 13.660 3.863 3.725 110 HD12 LEU 13 HD12 LEU 13 12.407 4.131 4.952 111 HD13 LEU 13 HD13 LEU 13 14.063 4.699 5.247 112 HD21 LEU 13 HD21 LEU 13 14.342 3.524 7.302 113 HD22 LEU 13 HD22 LEU 13 12.674 2.930 7.245 114 HD23 LEU 13 HD23 LEU 13 14.040 1.801 7.453 115 H LYS 14 H LYS 14 11.317 -0.665 6.778 116 HA LYS 14 HA LYS 14 9.729 -1.977 4.654 117 HB2 LYS 14 HB2 LYS 14 10.909 -3.340 7.105 118 HB3 LYS 14 HB3 LYS 14 9.312 -3.800 6.531 119 HG2 LYS 14 HG2 LYS 14 10.293 -4.159 4.234 120 HG3 LYS 14 HG3 LYS 14 11.908 -3.981 4.949 121 HD2 LYS 14 HD2 LYS 14 11.561 -5.926 6.362 122 HD3 LYS 14 HD3 LYS 14 9.829 -5.941 5.997 123 HE2 LYS 14 HE2 LYS 14 10.455 -6.319 3.548 124 HE3 LYS 14 HE3 LYS 14 12.108 -6.611 4.104 125 HZ1 LYS 14 HZ1 LYS 14 10.779 -8.644 3.858 126 HZ2 LYS 14 HZ2 LYS 14 11.236 -8.455 5.438 127 HZ3 LYS 14 HZ3 LYS 14 9.699 -8.092 4.935 128 H GLY 15 H GLY 15 7.507 -2.480 5.511 129 HA2 GLY 15 HA2 GLY 15 6.540 -1.363 7.919 130 HA3 GLY 15 HA3 GLY 15 6.214 -0.235 6.599 131 H GLU 16 H GLU 16 4.169 -1.639 8.023 132 HA GLU 16 HA GLU 16 2.773 -2.832 5.833 133 HB2 GLU 16 HB2 GLU 16 2.301 -4.993 6.852 134 HB3 GLU 16 HB3 GLU 16 4.001 -4.817 6.437 135 HG2 GLU 16 HG2 GLU 16 4.580 -4.427 8.805 136 HG3 GLU 16 HG3 GLU 16 2.874 -4.590 9.256 137 H THR 17 H THR 17 0.687 -2.226 6.047 138 HA THR 17 HA THR 17 -0.436 -1.958 8.768 139 HB THR 17 HB THR 17 0.710 0.249 8.170 140 HG1 THR 17 HG1 THR 17 -0.957 1.439 8.971 141 HG21 THR 17 HG21 THR 17 0.078 0.310 5.766 142 HG22 THR 17 HG22 THR 17 -1.630 0.520 6.209 143 HG23 THR 17 HG23 THR 17 -0.456 1.758 6.644 144 H THR 18 H THR 18 -2.753 -0.932 8.322 145 HA THR 18 HA THR 18 -4.006 -2.161 5.980 146 HB THR 18 HB THR 18 -3.968 -3.577 8.272 147 HG1 THR 18 HG1 THR 18 -5.478 -4.740 7.387 148 HG21 THR 18 HG21 THR 18 -6.084 -3.443 9.450 149 HG22 THR 18 HG22 THR 18 -5.231 -1.893 9.586 150 HG23 THR 18 HG23 THR 18 -6.607 -2.067 8.473 151 H THR 19 H THR 19 -6.225 -1.234 5.713 152 HA THR 19 HA THR 19 -6.602 1.433 6.945 153 HB THR 19 HB THR 19 -7.000 2.330 4.609 154 HG1 THR 19 HG1 THR 19 -5.868 -0.167 3.917 155 HG21 THR 19 HG21 THR 19 -4.678 2.725 3.960 156 HG22 THR 19 HG22 THR 19 -4.930 2.938 5.686 157 HG23 THR 19 HG23 THR 19 -4.129 1.469 5.093 158 H GLU 20 H GLU 20 -8.762 2.165 6.676 159 HA GLU 20 HA GLU 20 -10.793 0.346 5.542 160 HB2 GLU 20 HB2 GLU 20 -10.877 -0.001 7.966 161 HB3 GLU 20 HB3 GLU 20 -10.815 1.747 8.254 162 HG2 GLU 20 HG2 GLU 20 -13.001 2.026 7.103 163 HG3 GLU 20 HG3 GLU 20 -13.042 0.294 6.752 164 H ALA 21 H ALA 21 -11.781 1.620 3.921 165 HA ALA 21 HA ALA 21 -11.770 4.568 4.330 166 HB1 ALA 21 HB1 ALA 21 -11.164 4.846 1.942 167 HB2 ALA 21 HB2 ALA 21 -9.875 4.078 2.890 168 HB3 ALA 21 HB3 ALA 21 -10.896 3.094 1.826 169 H VAL 22 H VAL 22 -13.354 5.700 3.187 170 HA VAL 22 HA VAL 22 -15.927 4.553 3.194 171 HB VAL 22 HB VAL 22 -16.607 6.664 2.021 172 HG11 VAL 22 HG11 VAL 22 -14.790 7.078 4.429 173 HG12 VAL 22 HG12 VAL 22 -16.124 8.126 3.897 174 HG13 VAL 22 HG13 VAL 22 -16.470 6.492 4.471 175 HG21 VAL 22 HG21 VAL 22 -13.634 7.397 2.133 176 HG22 VAL 22 HG22 VAL 22 -14.638 7.237 0.672 177 HG23 VAL 22 HG23 VAL 22 -14.970 8.517 1.823 178 H ASP 23 H ASP 23 -13.728 5.259 0.421 179 HA ASP 23 HA ASP 23 -15.061 3.202 -1.213 180 HB2 ASP 23 HB2 ASP 23 -16.334 5.153 -1.765 181 HB3 ASP 23 HB3 ASP 23 -14.876 6.152 -1.821 182 H ALA 24 H ALA 24 -13.739 2.705 -3.121 183 HA ALA 24 HA ALA 24 -10.968 2.482 -2.413 184 HB1 ALA 24 HB1 ALA 24 -10.739 1.415 -4.590 185 HB2 ALA 24 HB2 ALA 24 -12.036 0.715 -3.623 186 HB3 ALA 24 HB3 ALA 24 -12.427 1.816 -4.987 187 H ALA 25 H ALA 25 -12.707 4.996 -4.298 188 HA ALA 25 HA ALA 25 -10.433 5.889 -5.762 189 HB1 ALA 25 HB1 ALA 25 -12.755 6.697 -6.185 190 HB2 ALA 25 HB2 ALA 25 -12.716 7.571 -4.636 191 HB3 ALA 25 HB3 ALA 25 -11.621 8.034 -5.941 192 H THR 26 H THR 26 -11.401 6.366 -2.388 193 HA THR 26 HA THR 26 -9.513 8.501 -1.789 194 HB THR 26 HB THR 26 -11.063 6.537 -0.032 195 HG1 THR 26 HG1 THR 26 -11.839 8.524 -1.602 196 HG21 THR 26 HG21 THR 26 -9.874 9.242 0.710 197 HG22 THR 26 HG22 THR 26 -10.902 8.221 1.742 198 HG23 THR 26 HG23 THR 26 -9.299 7.656 1.274 199 H ALA 27 H ALA 27 -9.593 4.951 -1.571 200 HA ALA 27 HA ALA 27 -7.193 4.599 -0.090 201 HB1 ALA 27 HB1 ALA 27 -8.612 2.737 -2.026 202 HB2 ALA 27 HB2 ALA 27 -7.450 2.267 -0.781 203 HB3 ALA 27 HB3 ALA 27 -9.014 2.924 -0.300 204 H GLU 28 H GLU 28 -7.940 4.491 -3.607 205 HA GLU 28 HA GLU 28 -5.468 3.846 -4.630 206 HB2 GLU 28 HB2 GLU 28 -7.755 4.156 -5.730 207 HB3 GLU 28 HB3 GLU 28 -7.350 5.869 -5.901 208 HG2 GLU 28 HG2 GLU 28 -5.380 5.251 -7.270 209 HG3 GLU 28 HG3 GLU 28 -5.713 3.535 -7.000 210 H LYS 29 H LYS 29 -6.524 6.939 -3.404 211 HA LYS 29 HA LYS 29 -4.178 8.463 -4.285 212 HB2 LYS 29 HB2 LYS 29 -6.430 9.154 -2.348 213 HB3 LYS 29 HB3 LYS 29 -5.172 10.271 -2.892 214 HG2 LYS 29 HG2 LYS 29 -5.947 10.129 -5.204 215 HG3 LYS 29 HG3 LYS 29 -7.104 8.866 -4.793 216 HD2 LYS 29 HD2 LYS 29 -8.233 10.524 -3.209 217 HD3 LYS 29 HD3 LYS 29 -7.134 11.745 -3.856 218 HE2 LYS 29 HE2 LYS 29 -9.111 12.050 -5.084 219 HE3 LYS 29 HE3 LYS 29 -8.003 11.208 -6.166 220 HZ1 LYS 29 HZ1 LYS 29 -10.229 10.014 -4.623 221 HZ2 LYS 29 HZ2 LYS 29 -10.165 10.191 -6.253 222 HZ3 LYS 29 HZ3 LYS 29 -9.164 9.121 -5.465 223 H VAL 30 H VAL 30 -5.428 7.280 -1.073 224 HA VAL 30 HA VAL 30 -3.211 8.162 0.355 225 HB VAL 30 HB VAL 30 -5.416 7.247 1.308 226 HG11 VAL 30 HG11 VAL 30 -3.790 4.690 1.641 227 HG12 VAL 30 HG12 VAL 30 -5.403 5.055 2.286 228 HG13 VAL 30 HG13 VAL 30 -5.169 4.852 0.548 229 HG21 VAL 30 HG21 VAL 30 -3.569 8.222 2.640 230 HG22 VAL 30 HG22 VAL 30 -4.344 6.892 3.497 231 HG23 VAL 30 HG23 VAL 30 -2.770 6.635 2.738 232 H PHE 31 H PHE 31 -3.417 5.157 -1.572 233 HA PHE 31 HA PHE 31 -1.224 3.804 -0.490 234 HB2 PHE 31 HB2 PHE 31 -1.894 4.124 -3.446 235 HB3 PHE 31 HB3 PHE 31 -0.959 2.826 -2.740 236 HD1 PHE 31 HD1 PHE 31 -3.146 2.664 -0.270 237 HD2 PHE 31 HD2 PHE 31 -3.259 2.452 -4.577 238 HE1 PHE 31 HE1 PHE 31 -5.217 1.327 -0.147 239 HE2 PHE 31 HE2 PHE 31 -5.353 1.127 -4.435 240 HZ PHE 31 HZ PHE 31 -6.347 0.591 -2.235 241 H LYS 32 H LYS 32 -1.193 6.473 -2.858 242 HA LYS 32 HA LYS 32 1.643 6.411 -3.319 243 HB2 LYS 32 HB2 LYS 32 -0.359 8.671 -3.770 244 HB3 LYS 32 HB3 LYS 32 1.247 8.502 -4.498 245 HG2 LYS 32 HG2 LYS 32 0.553 6.445 -5.646 246 HG3 LYS 32 HG3 LYS 32 -1.071 6.568 -4.937 247 HD2 LYS 32 HD2 LYS 32 -1.367 8.765 -6.082 248 HD3 LYS 32 HD3 LYS 32 0.227 8.569 -6.815 249 HE2 LYS 32 HE2 LYS 32 -1.271 7.816 -8.467 250 HE3 LYS 32 HE3 LYS 32 -0.572 6.355 -7.765 251 HZ1 LYS 32 HZ1 LYS 32 -3.234 7.499 -7.201 252 HZ2 LYS 32 HZ2 LYS 32 -2.912 6.126 -8.029 253 HZ3 LYS 32 HZ3 LYS 32 -2.646 6.200 -6.386 254 H GLN 33 H GLN 33 -0.399 8.146 -0.966 255 HA GLN 33 HA GLN 33 1.783 9.917 -0.120 256 HB2 GLN 33 HB2 GLN 33 -0.492 10.691 0.056 257 HB3 GLN 33 HB3 GLN 33 -1.008 9.278 0.948 258 HG2 GLN 33 HG2 GLN 33 1.148 11.023 2.164 259 HG3 GLN 33 HG3 GLN 33 -0.510 11.602 2.168 260 HE21 GLN 33 HE21 GLN 33 -1.758 8.994 4.393 261 HE22 GLN 33 HE22 GLN 33 -2.205 10.177 3.173 262 H TYR 34 H TYR 34 -0.001 7.164 1.285 263 HA TYR 34 HA TYR 34 1.320 6.850 3.659 264 HB2 TYR 34 HB2 TYR 34 -0.735 5.688 3.152 265 HB3 TYR 34 HB3 TYR 34 0.014 4.806 1.815 266 HD1 TYR 34 HD1 TYR 34 0.886 2.639 2.216 267 HD2 TYR 34 HD2 TYR 34 0.365 5.401 5.452 268 HE1 TYR 34 HE1 TYR 34 1.948 1.000 3.782 269 HE2 TYR 34 HE2 TYR 34 1.590 3.831 7.003 270 HH TYR 34 HH TYR 34 3.435 1.863 6.525 271 H ALA 35 H ALA 35 2.077 5.044 0.624 272 HA ALA 35 HA ALA 35 4.304 3.714 1.807 273 HB1 ALA 35 HB1 ALA 35 3.754 4.252 -1.129 274 HB2 ALA 35 HB2 ALA 35 4.722 2.941 -0.405 275 HB3 ALA 35 HB3 ALA 35 2.971 2.966 -0.167 276 H ASN 36 H ASN 36 4.043 6.796 0.010 277 HA ASN 36 HA ASN 36 6.785 7.144 -0.560 278 HB2 ASN 36 HB2 ASN 36 5.287 8.570 -1.629 279 HB3 ASN 36 HB3 ASN 36 4.484 9.042 -0.124 280 HD21 ASN 36 HD21 ASN 36 8.176 10.714 -0.984 281 HD22 ASN 36 HD22 ASN 36 7.643 9.259 -1.805 282 H ASP 37 H ASP 37 5.055 7.592 2.535 283 HA ASP 37 HA ASP 37 7.111 9.094 3.854 284 HB2 ASP 37 HB2 ASP 37 4.714 8.677 4.651 285 HB3 ASP 37 HB3 ASP 37 5.249 7.051 5.110 286 H ASN 38 H ASN 38 6.781 5.750 3.024 287 HA ASN 38 HA ASN 38 8.834 4.703 4.826 288 HB2 ASN 38 HB2 ASN 38 6.551 3.657 3.890 289 HB3 ASN 38 HB3 ASN 38 7.587 3.175 2.561 290 HD21 ASN 38 HD21 ASN 38 7.260 0.551 5.307 291 HD22 ASN 38 HD22 ASN 38 6.148 1.880 5.087 292 H GLY 39 H GLY 39 8.949 6.583 2.093 293 HA2 GLY 39 HA2 GLY 39 10.547 7.144 0.616 294 HA3 GLY 39 HA3 GLY 39 11.674 6.120 1.517 295 H VAL 40 H VAL 40 8.681 5.128 -0.285 296 HA VAL 40 HA VAL 40 10.299 3.060 -1.603 297 HB VAL 40 HB VAL 40 8.232 2.164 -2.403 298 HG11 VAL 40 HG11 VAL 40 7.226 1.566 -0.363 299 HG12 VAL 40 HG12 VAL 40 8.926 1.824 0.010 300 HG13 VAL 40 HG13 VAL 40 7.727 3.068 0.431 301 HG21 VAL 40 HG21 VAL 40 6.055 3.108 -2.035 302 HG22 VAL 40 HG22 VAL 40 6.770 4.577 -1.290 303 HG23 VAL 40 HG23 VAL 40 6.986 4.208 -3.006 304 H ASP 41 H ASP 41 10.641 2.774 -3.757 305 HA ASP 41 HA ASP 41 9.587 4.690 -5.660 306 HB2 ASP 41 HB2 ASP 41 11.802 5.687 -4.860 307 HB3 ASP 41 HB3 ASP 41 12.600 4.328 -5.671 308 H GLY 42 H GLY 42 8.430 2.549 -5.711 309 HA2 GLY 42 HA2 GLY 42 9.736 0.822 -7.747 310 HA3 GLY 42 HA3 GLY 42 9.221 0.074 -6.239 311 H GLU 43 H GLU 43 8.207 -1.143 -7.949 312 HA GLU 43 HA GLU 43 5.807 -0.290 -9.330 313 HB2 GLU 43 HB2 GLU 43 5.854 -2.693 -10.073 314 HB3 GLU 43 HB3 GLU 43 7.235 -1.720 -10.581 315 HG2 GLU 43 HG2 GLU 43 8.720 -2.774 -9.081 316 HG3 GLU 43 HG3 GLU 43 7.430 -3.381 -8.051 317 H TRP 44 H TRP 44 3.787 -1.275 -9.055 318 HA TRP 44 HA TRP 44 3.270 -2.358 -6.333 319 HB2 TRP 44 HB2 TRP 44 1.604 -0.546 -8.117 320 HB3 TRP 44 HB3 TRP 44 0.977 -1.350 -6.683 321 HD1 TRP 44 HD1 TRP 44 4.064 0.912 -7.400 322 HE1 TRP 44 HE1 TRP 44 4.594 2.212 -5.350 323 HE3 TRP 44 HE3 TRP 44 0.162 -0.638 -4.492 324 HZ2 TRP 44 HZ2 TRP 44 3.238 2.902 -2.837 325 HZ3 TRP 44 HZ3 TRP 44 -0.172 0.331 -2.226 326 HH2 TRP 44 HH2 TRP 44 1.343 2.102 -1.393 327 H THR 45 H THR 45 1.944 -4.052 -6.048 328 HA THR 45 HA THR 45 0.380 -5.174 -8.266 329 HB THR 45 HB THR 45 1.192 -7.478 -7.219 330 HG1 THR 45 HG1 THR 45 2.673 -6.680 -5.761 331 HG21 THR 45 HG21 THR 45 1.362 -6.761 -9.599 332 HG22 THR 45 HG22 THR 45 2.897 -5.952 -9.234 333 HG23 THR 45 HG23 THR 45 2.725 -7.715 -9.054 334 H TYR 46 H TYR 46 -1.403 -6.525 -7.440 335 HA TYR 46 HA TYR 46 -2.031 -6.041 -4.579 336 HB2 TYR 46 HB2 TYR 46 -3.135 -4.284 -5.753 337 HB3 TYR 46 HB3 TYR 46 -3.682 -5.350 -7.015 338 HD1 TYR 46 HD1 TYR 46 -4.087 -4.620 -3.382 339 HD2 TYR 46 HD2 TYR 46 -5.772 -6.524 -6.864 340 HE1 TYR 46 HE1 TYR 46 -6.252 -4.875 -2.209 341 HE2 TYR 46 HE2 TYR 46 -7.937 -6.793 -5.679 342 HH TYR 46 HH TYR 46 -9.040 -6.572 -3.466 343 H ASP 47 H ASP 47 -3.015 -7.643 -3.577 344 HA ASP 47 HA ASP 47 -4.056 -9.966 -5.089 345 HB2 ASP 47 HB2 ASP 47 -1.804 -10.476 -4.284 346 HB3 ASP 47 HB3 ASP 47 -2.287 -10.086 -2.630 347 H ASP 48 H ASP 48 -6.117 -9.865 -4.795 348 HA ASP 48 HA ASP 48 -7.539 -8.444 -2.843 349 HB2 ASP 48 HB2 ASP 48 -8.196 -9.138 -5.216 350 HB3 ASP 48 HB3 ASP 48 -8.642 -10.697 -4.529 351 H ALA 49 H ALA 49 -6.087 -11.572 -2.348 352 HA ALA 49 HA ALA 49 -8.052 -12.855 -0.845 353 HB1 ALA 49 HB1 ALA 49 -5.820 -13.808 -1.527 354 HB2 ALA 49 HB2 ALA 49 -5.082 -12.912 -0.188 355 HB3 ALA 49 HB3 ALA 49 -6.293 -14.168 0.142 356 H THR 50 H THR 50 -5.850 -10.316 0.147 357 HA THR 50 HA THR 50 -7.363 -9.916 2.674 358 HB THR 50 HB THR 50 -5.611 -10.754 3.772 359 HG1 THR 50 HG1 THR 50 -5.475 -8.581 4.310 360 HG21 THR 50 HG21 THR 50 -3.228 -10.770 3.044 361 HG22 THR 50 HG22 THR 50 -4.299 -11.649 1.956 362 HG23 THR 50 HG23 THR 50 -3.728 -10.027 1.506 363 H LYS 51 H LYS 51 -6.376 -8.606 -0.338 364 HA LYS 51 HA LYS 51 -6.721 -6.891 -1.371 365 HB2 LYS 51 HB2 LYS 51 -7.961 -5.650 1.111 366 HB3 LYS 51 HB3 LYS 51 -7.975 -4.984 -0.524 367 HG2 LYS 51 HG2 LYS 51 -9.046 -7.313 -1.155 368 HG3 LYS 51 HG3 LYS 51 -9.387 -7.433 0.571 369 HD2 LYS 51 HD2 LYS 51 -10.708 -5.358 0.488 370 HD3 LYS 51 HD3 LYS 51 -10.255 -5.118 -1.218 371 HE2 LYS 51 HE2 LYS 51 -11.304 -7.285 -1.799 372 HE3 LYS 51 HE3 LYS 51 -11.803 -7.498 -0.119 373 HZ1 LYS 51 HZ1 LYS 51 -13.178 -5.484 -0.374 374 HZ2 LYS 51 HZ2 LYS 51 -12.719 -5.341 -1.945 375 HZ3 LYS 51 HZ3 LYS 51 -13.578 -6.646 -1.447 376 H THR 52 H THR 52 -4.393 -7.764 -0.363 377 HA THR 52 HA THR 52 -2.954 -5.573 0.835 378 HB THR 52 HB THR 52 -2.804 -7.909 1.614 379 HG1 THR 52 HG1 THR 52 -0.368 -6.685 0.859 380 HG21 THR 52 HG21 THR 52 -2.675 -9.043 -0.597 381 HG22 THR 52 HG22 THR 52 -1.014 -8.433 -0.779 382 HG23 THR 52 HG23 THR 52 -1.417 -9.525 0.549 383 H PHE 53 H PHE 53 -1.665 -4.218 -0.123 384 HA PHE 53 HA PHE 53 -1.022 -4.496 -3.014 385 HB2 PHE 53 HB2 PHE 53 -1.157 -2.140 -1.102 386 HB3 PHE 53 HB3 PHE 53 -0.450 -2.048 -2.711 387 HD1 PHE 53 HD1 PHE 53 -1.861 -2.282 -4.747 388 HD2 PHE 53 HD2 PHE 53 -3.591 -2.276 -0.790 389 HE1 PHE 53 HE1 PHE 53 -4.107 -1.880 -5.722 390 HE2 PHE 53 HE2 PHE 53 -5.820 -1.858 -1.781 391 HZ PHE 53 HZ PHE 53 -6.082 -1.640 -4.244 392 H THR 54 H THR 54 1.208 -4.702 -3.478 393 HA THR 54 HA THR 54 3.072 -4.446 -1.180 394 HB THR 54 HB THR 54 3.131 -6.791 -3.097 395 HG1 THR 54 HG1 THR 54 2.284 -7.904 -1.137 396 HG21 THR 54 HG21 THR 54 4.527 -7.781 -1.306 397 HG22 THR 54 HG22 THR 54 5.245 -6.312 -1.938 398 HG23 THR 54 HG23 THR 54 4.408 -6.281 -0.366 399 H VAL 55 H VAL 55 5.120 -3.718 -1.671 400 HA VAL 55 HA VAL 55 5.790 -3.079 -4.491 401 HB VAL 55 HB VAL 55 6.043 -1.391 -1.975 402 HG11 VAL 55 HG11 VAL 55 8.153 -1.139 -3.215 403 HG12 VAL 55 HG12 VAL 55 7.252 -0.815 -4.713 404 HG13 VAL 55 HG13 VAL 55 7.186 0.318 -3.337 405 HG21 VAL 55 HG21 VAL 55 3.857 -1.233 -3.206 406 HG22 VAL 55 HG22 VAL 55 4.783 0.278 -3.234 407 HG23 VAL 55 HG23 VAL 55 4.770 -0.774 -4.665 408 H THR 56 H THR 56 7.868 -3.632 -5.002 409 HA THR 56 HA THR 56 9.675 -4.537 -2.846 410 HB THR 56 HB THR 56 9.302 -5.968 -5.500 411 HG1 THR 56 HG1 THR 56 7.426 -6.241 -4.396 412 HG21 THR 56 HG21 THR 56 10.510 -7.775 -4.358 413 HG22 THR 56 HG22 THR 56 11.482 -6.291 -4.337 414 HG23 THR 56 HG23 THR 56 10.612 -6.805 -2.868 415 H GLU 57 H GLU 57 11.223 -2.962 -2.859 416 HA GLU 57 HA GLU 57 11.900 -1.484 -5.284 417 HB2 GLU 57 HB2 GLU 57 12.076 -0.696 -2.797 418 HB3 GLU 57 HB3 GLU 57 13.590 -1.582 -2.740 419 HG2 GLU 57 HG2 GLU 57 14.433 -0.274 -4.686 420 HG3 GLU 57 HG3 GLU 57 12.900 0.606 -4.757 Start of MODEL 18 1 H1 MET 1 H MET 1 -16.821 0.712 2.506 2 HA MET 1 HA MET 1 -16.742 0.194 0.158 3 HB2 MET 1 HB2 MET 1 -14.687 2.093 0.082 4 HB3 MET 1 HB3 MET 1 -13.847 0.591 -0.216 5 HG2 MET 1 HG2 MET 1 -14.687 1.493 -2.330 6 HG3 MET 1 HG3 MET 1 -15.486 -0.029 -1.938 7 HE1 MET 1 HE1 MET 1 -16.488 1.768 -4.154 8 HE2 MET 1 HE2 MET 1 -17.477 0.371 -3.686 9 HE3 MET 1 HE3 MET 1 -18.236 1.962 -3.872 10 H GLY 2 H GLY 2 -13.633 -0.267 2.142 11 HA2 GLY 2 HA2 GLY 2 -14.292 -2.761 2.982 12 HA3 GLY 2 HA3 GLY 2 -13.465 -2.981 1.405 13 H THR 3 H THR 3 -11.999 -4.047 3.104 14 HA THR 3 HA THR 3 -10.194 -2.090 4.325 15 HB THR 3 HB THR 3 -10.810 -3.683 5.940 16 HG1 THR 3 HG1 THR 3 -8.611 -3.366 5.926 17 HG21 THR 3 HG21 THR 3 -11.807 -5.457 4.592 18 HG22 THR 3 HG22 THR 3 -10.225 -5.886 3.916 19 HG23 THR 3 HG23 THR 3 -10.556 -6.123 5.656 20 H TYR 4 H TYR 4 -8.003 -2.026 3.689 21 HA TYR 4 HA TYR 4 -7.206 -3.622 1.310 22 HB2 TYR 4 HB2 TYR 4 -6.944 -0.603 1.623 23 HB3 TYR 4 HB3 TYR 4 -6.347 -1.563 0.284 24 HD1 TYR 4 HD1 TYR 4 -7.915 -2.495 -1.418 25 HD2 TYR 4 HD2 TYR 4 -9.425 -0.040 1.827 26 HE1 TYR 4 HE1 TYR 4 -10.063 -2.223 -2.596 27 HE2 TYR 4 HE2 TYR 4 -11.509 0.268 0.627 28 HH TYR 4 HH TYR 4 -12.275 -1.533 -2.316 29 H LYS 5 H LYS 5 -5.127 -4.518 1.717 30 HA LYS 5 HA LYS 5 -3.757 -3.399 4.143 31 HB2 LYS 5 HB2 LYS 5 -4.527 -5.780 4.052 32 HB3 LYS 5 HB3 LYS 5 -3.310 -6.059 2.811 33 HG2 LYS 5 HG2 LYS 5 -1.527 -5.342 4.412 34 HG3 LYS 5 HG3 LYS 5 -2.792 -5.031 5.633 35 HD2 LYS 5 HD2 LYS 5 -3.517 -7.428 5.419 36 HD3 LYS 5 HD3 LYS 5 -2.136 -7.691 4.332 37 HE2 LYS 5 HE2 LYS 5 -0.580 -7.072 6.136 38 HE3 LYS 5 HE3 LYS 5 -1.942 -6.732 7.211 39 HZ1 LYS 5 HZ1 LYS 5 -2.560 -9.062 7.078 40 HZ2 LYS 5 HZ2 LYS 5 -1.329 -9.367 6.032 41 HZ3 LYS 5 HZ3 LYS 5 -0.971 -8.910 7.554 42 H LEU 6 H LEU 6 -1.743 -2.443 3.984 43 HA LEU 6 HA LEU 6 -0.433 -2.499 1.309 44 HB2 LEU 6 HB2 LEU 6 -1.778 -0.297 2.235 45 HB3 LEU 6 HB3 LEU 6 -0.143 0.045 2.790 46 HG LEU 6 HG LEU 6 -1.013 -0.614 -0.061 47 HD11 LEU 6 HD11 LEU 6 -1.708 1.588 0.862 48 HD12 LEU 6 HD12 LEU 6 -0.006 1.954 1.184 49 HD13 LEU 6 HD13 LEU 6 -0.569 1.734 -0.490 50 HD21 LEU 6 HD21 LEU 6 1.335 -1.372 0.276 51 HD22 LEU 6 HD22 LEU 6 1.287 0.061 -0.731 52 HD23 LEU 6 HD23 LEU 6 1.729 0.211 0.978 53 H ILE 7 H ILE 7 1.463 -3.501 1.541 54 HA ILE 7 HA ILE 7 3.259 -2.954 3.840 55 HB ILE 7 HB ILE 7 2.500 -5.184 4.173 56 HG12 ILE 7 HG12 ILE 7 5.118 -5.550 2.661 57 HG13 ILE 7 HG13 ILE 7 5.027 -4.725 4.211 58 HG21 ILE 7 HG21 ILE 7 2.505 -6.974 2.469 59 HG22 ILE 7 HG22 ILE 7 1.445 -5.650 1.998 60 HG23 ILE 7 HG23 ILE 7 3.039 -5.805 1.253 61 HD11 ILE 7 HD11 ILE 7 4.040 -6.785 5.237 62 HD12 ILE 7 HD12 ILE 7 4.291 -7.632 3.690 63 HD13 ILE 7 HD13 ILE 7 5.679 -7.010 4.595 64 H LEU 8 H LEU 8 5.225 -2.244 3.360 65 HA LEU 8 HA LEU 8 6.022 -2.097 0.495 66 HB2 LEU 8 HB2 LEU 8 6.638 -0.170 2.777 67 HB3 LEU 8 HB3 LEU 8 7.165 -0.038 1.118 68 HG LEU 8 HG LEU 8 5.470 1.541 1.388 69 HD11 LEU 8 HD11 LEU 8 4.046 -0.794 0.032 70 HD12 LEU 8 HD12 LEU 8 3.744 0.929 -0.219 71 HD13 LEU 8 HD13 LEU 8 5.268 0.217 -0.738 72 HD21 LEU 8 HD21 LEU 8 4.460 0.543 3.471 73 HD22 LEU 8 HD22 LEU 8 3.363 1.346 2.332 74 HD23 LEU 8 HD23 LEU 8 3.430 -0.422 2.418 75 H ASN 9 H ASN 9 8.065 -2.739 0.013 76 HA ASN 9 HA ASN 9 9.834 -3.592 2.238 77 HB2 ASN 9 HB2 ASN 9 9.515 -5.000 -0.425 78 HB3 ASN 9 HB3 ASN 9 10.591 -5.455 0.879 79 HD21 ASN 9 HD21 ASN 9 6.720 -6.699 0.848 80 HD22 ASN 9 HD22 ASN 9 7.368 -5.594 -0.362 81 H GLY 10 H GLY 10 10.983 -1.626 2.213 82 HA2 GLY 10 HA2 GLY 10 12.134 -0.515 -0.209 83 HA3 GLY 10 HA3 GLY 10 12.416 -0.029 1.468 84 H LYS 11 H LYS 11 14.679 -0.101 -0.000 85 HA LYS 11 HA LYS 11 15.972 -2.638 -0.241 86 HB2 LYS 11 HB2 LYS 11 16.675 -0.525 -1.292 87 HB3 LYS 11 HB3 LYS 11 17.120 0.156 0.273 88 HG2 LYS 11 HG2 LYS 11 18.882 -1.641 0.467 89 HG3 LYS 11 HG3 LYS 11 18.400 -2.208 -1.151 90 HD2 LYS 11 HD2 LYS 11 18.808 0.269 -1.886 91 HD3 LYS 11 HD3 LYS 11 19.689 0.443 -0.369 92 HE2 LYS 11 HE2 LYS 11 20.234 -1.570 -2.593 93 HE3 LYS 11 HE3 LYS 11 21.143 -0.079 -2.320 94 HZ1 LYS 11 HZ1 LYS 11 22.313 -1.906 -1.398 95 HZ2 LYS 11 HZ2 LYS 11 21.813 -0.973 -0.163 96 HZ3 LYS 11 HZ3 LYS 11 21.025 -2.394 -0.480 97 H THR 12 H THR 12 16.156 -0.193 2.412 98 HA THR 12 HA THR 12 16.967 -2.384 4.203 99 HB THR 12 HB THR 12 18.897 -1.043 3.494 100 HG1 THR 12 HG1 THR 12 18.146 -1.749 5.970 101 HG21 THR 12 HG21 THR 12 17.701 1.170 5.202 102 HG22 THR 12 HG22 THR 12 19.336 1.118 4.497 103 HG23 THR 12 HG23 THR 12 17.923 1.206 3.439 104 H LEU 13 H LEU 13 14.395 -0.543 3.600 105 HA LEU 13 HA LEU 13 13.660 -0.333 6.483 106 HB2 LEU 13 HB2 LEU 13 13.317 1.611 4.180 107 HB3 LEU 13 HB3 LEU 13 12.125 1.589 5.469 108 HG LEU 13 HG LEU 13 15.065 1.789 6.186 109 HD11 LEU 13 HD11 LEU 13 14.652 3.545 4.505 110 HD12 LEU 13 HD12 LEU 13 13.292 4.154 5.466 111 HD13 LEU 13 HD13 LEU 13 14.950 4.220 6.113 112 HD21 LEU 13 HD21 LEU 13 14.145 3.002 8.124 113 HD22 LEU 13 HD22 LEU 13 12.504 2.867 7.469 114 HD23 LEU 13 HD23 LEU 13 13.383 1.410 7.988 115 H LYS 14 H LYS 14 11.500 -0.903 6.935 116 HA LYS 14 HA LYS 14 9.794 -1.901 4.745 117 HB2 LYS 14 HB2 LYS 14 10.914 -3.566 7.049 118 HB3 LYS 14 HB3 LYS 14 9.328 -3.919 6.338 119 HG2 LYS 14 HG2 LYS 14 10.357 -4.137 4.126 120 HG3 LYS 14 HG3 LYS 14 11.970 -3.869 4.821 121 HD2 LYS 14 HD2 LYS 14 11.762 -5.899 6.162 122 HD3 LYS 14 HD3 LYS 14 10.064 -6.102 5.653 123 HE2 LYS 14 HE2 LYS 14 10.803 -6.252 3.281 124 HE3 LYS 14 HE3 LYS 14 12.488 -6.129 3.800 125 HZ1 LYS 14 HZ1 LYS 14 12.146 -8.186 5.055 126 HZ2 LYS 14 HZ2 LYS 14 10.585 -8.271 4.499 127 HZ3 LYS 14 HZ3 LYS 14 11.836 -8.384 3.438 128 H GLY 15 H GLY 15 7.580 -1.800 5.300 129 HA2 GLY 15 HA2 GLY 15 6.704 -1.232 7.997 130 HA3 GLY 15 HA3 GLY 15 6.671 0.187 6.926 131 H GLU 16 H GLU 16 4.333 -1.388 8.077 132 HA GLU 16 HA GLU 16 2.964 -1.735 5.541 133 HB2 GLU 16 HB2 GLU 16 2.106 -3.942 6.094 134 HB3 GLU 16 HB3 GLU 16 3.867 -4.012 6.023 135 HG2 GLU 16 HG2 GLU 16 4.048 -4.105 8.436 136 HG3 GLU 16 HG3 GLU 16 2.321 -3.774 8.642 137 H THR 17 H THR 17 0.657 -1.998 5.809 138 HA THR 17 HA THR 17 -0.454 -1.391 8.463 139 HB THR 17 HB THR 17 0.401 0.812 7.487 140 HG1 THR 17 HG1 THR 17 -1.026 1.732 8.600 141 HG21 THR 17 HG21 THR 17 -0.361 0.365 5.126 142 HG22 THR 17 HG22 THR 17 -2.039 0.581 5.681 143 HG23 THR 17 HG23 THR 17 -0.894 1.920 5.775 144 H THR 18 H THR 18 -2.891 -1.057 8.199 145 HA THR 18 HA THR 18 -4.128 -2.384 5.932 146 HB THR 18 HB THR 18 -3.493 -4.171 7.643 147 HG1 THR 18 HG1 THR 18 -5.587 -5.093 7.502 148 HG21 THR 18 HG21 THR 18 -4.864 -4.473 9.623 149 HG22 THR 18 HG22 THR 18 -3.993 -2.937 9.736 150 HG23 THR 18 HG23 THR 18 -5.721 -2.949 9.319 151 H THR 19 H THR 19 -6.192 -1.373 5.642 152 HA THR 19 HA THR 19 -7.136 0.456 7.734 153 HB THR 19 HB THR 19 -7.271 2.312 6.071 154 HG1 THR 19 HG1 THR 19 -5.351 0.949 4.511 155 HG21 THR 19 HG21 THR 19 -5.009 3.107 6.161 156 HG22 THR 19 HG22 THR 19 -5.391 2.277 7.684 157 HG23 THR 19 HG23 THR 19 -4.370 1.485 6.465 158 H GLU 20 H GLU 20 -9.230 1.407 7.033 159 HA GLU 20 HA GLU 20 -10.814 -0.229 5.167 160 HB2 GLU 20 HB2 GLU 20 -11.232 -1.012 7.473 161 HB3 GLU 20 HB3 GLU 20 -11.616 0.641 7.984 162 HG2 GLU 20 HG2 GLU 20 -13.560 0.703 6.534 163 HG3 GLU 20 HG3 GLU 20 -13.072 -0.794 5.728 164 H ALA 21 H ALA 21 -11.402 1.217 3.587 165 HA ALA 21 HA ALA 21 -11.505 4.123 4.268 166 HB1 ALA 21 HB1 ALA 21 -10.982 4.485 1.894 167 HB2 ALA 21 HB2 ALA 21 -9.736 3.487 2.666 168 HB3 ALA 21 HB3 ALA 21 -10.954 2.736 1.608 169 H VAL 22 H VAL 22 -13.159 5.356 3.514 170 HA VAL 22 HA VAL 22 -15.757 4.268 3.410 171 HB VAL 22 HB VAL 22 -16.441 6.569 2.693 172 HG11 VAL 22 HG11 VAL 22 -14.493 6.500 5.035 173 HG12 VAL 22 HG12 VAL 22 -15.830 7.643 4.787 174 HG13 VAL 22 HG13 VAL 22 -16.180 5.934 5.066 175 HG21 VAL 22 HG21 VAL 22 -13.463 7.244 2.812 176 HG22 VAL 22 HG22 VAL 22 -14.511 7.335 1.376 177 HG23 VAL 22 HG23 VAL 22 -14.799 8.400 2.741 178 H ASP 23 H ASP 23 -13.666 5.427 0.707 179 HA ASP 23 HA ASP 23 -15.161 3.729 -1.187 180 HB2 ASP 23 HB2 ASP 23 -16.251 5.759 -1.567 181 HB3 ASP 23 HB3 ASP 23 -14.781 6.699 -1.359 182 H ALA 24 H ALA 24 -13.800 3.319 -3.122 183 HA ALA 24 HA ALA 24 -11.121 2.735 -2.317 184 HB1 ALA 24 HB1 ALA 24 -10.863 1.740 -4.461 185 HB2 ALA 24 HB2 ALA 24 -12.440 1.307 -3.821 186 HB3 ALA 24 HB3 ALA 24 -12.323 2.558 -5.096 187 H ALA 25 H ALA 25 -12.439 5.652 -3.929 188 HA ALA 25 HA ALA 25 -9.865 6.361 -5.069 189 HB1 ALA 25 HB1 ALA 25 -12.020 7.338 -5.840 190 HB2 ALA 25 HB2 ALA 25 -12.103 8.280 -4.344 191 HB3 ALA 25 HB3 ALA 25 -10.755 8.525 -5.457 192 H THR 26 H THR 26 -11.377 6.649 -1.875 193 HA THR 26 HA THR 26 -9.529 8.601 -0.801 194 HB THR 26 HB THR 26 -11.181 6.409 0.536 195 HG1 THR 26 HG1 THR 26 -12.254 8.246 -0.685 196 HG21 THR 26 HG21 THR 26 -9.891 8.865 1.784 197 HG22 THR 26 HG22 THR 26 -10.972 7.704 2.598 198 HG23 THR 26 HG23 THR 26 -9.383 7.183 2.040 199 H ALA 27 H ALA 27 -9.639 5.024 -1.085 200 HA ALA 27 HA ALA 27 -7.234 4.487 0.320 201 HB1 ALA 27 HB1 ALA 27 -8.532 2.869 -1.901 202 HB2 ALA 27 HB2 ALA 27 -7.314 2.299 -0.744 203 HB3 ALA 27 HB3 ALA 27 -8.923 2.760 -0.169 204 H GLU 28 H GLU 28 -7.906 5.054 -3.178 205 HA GLU 28 HA GLU 28 -5.349 4.723 -4.237 206 HB2 GLU 28 HB2 GLU 28 -7.409 5.092 -5.570 207 HB3 GLU 28 HB3 GLU 28 -7.495 6.746 -4.982 208 HG2 GLU 28 HG2 GLU 28 -5.188 7.108 -6.100 209 HG3 GLU 28 HG3 GLU 28 -5.476 5.571 -6.898 210 H LYS 29 H LYS 29 -6.712 7.642 -2.630 211 HA LYS 29 HA LYS 29 -4.418 9.283 -3.123 212 HB2 LYS 29 HB2 LYS 29 -6.688 10.100 -2.534 213 HB3 LYS 29 HB3 LYS 29 -6.478 9.511 -0.878 214 HG2 LYS 29 HG2 LYS 29 -4.584 11.047 -0.531 215 HG3 LYS 29 HG3 LYS 29 -4.635 11.526 -2.232 216 HD2 LYS 29 HD2 LYS 29 -7.066 12.270 -1.792 217 HD3 LYS 29 HD3 LYS 29 -6.690 12.058 -0.067 218 HE2 LYS 29 HE2 LYS 29 -4.682 13.618 -0.512 219 HE3 LYS 29 HE3 LYS 29 -5.412 13.957 -2.086 220 HZ1 LYS 29 HZ1 LYS 29 -6.533 14.480 0.582 221 HZ2 LYS 29 HZ2 LYS 29 -6.065 15.596 -0.530 222 HZ3 LYS 29 HZ3 LYS 29 -7.417 14.691 -0.806 223 H VAL 30 H VAL 30 -5.371 7.436 -0.154 224 HA VAL 30 HA VAL 30 -2.975 8.169 1.195 225 HB VAL 30 HB VAL 30 -5.102 7.341 2.263 226 HG11 VAL 30 HG11 VAL 30 -3.878 4.582 1.837 227 HG12 VAL 30 HG12 VAL 30 -5.270 4.982 2.864 228 HG13 VAL 30 HG13 VAL 30 -5.383 5.189 1.115 229 HG21 VAL 30 HG21 VAL 30 -3.921 6.518 4.226 230 HG22 VAL 30 HG22 VAL 30 -2.468 6.184 3.261 231 HG23 VAL 30 HG23 VAL 30 -3.030 7.853 3.491 232 H PHE 31 H PHE 31 -3.650 5.536 -1.107 233 HA PHE 31 HA PHE 31 -1.406 3.936 -0.668 234 HB2 PHE 31 HB2 PHE 31 -2.806 4.578 -3.274 235 HB3 PHE 31 HB3 PHE 31 -1.549 3.383 -3.097 236 HD1 PHE 31 HD1 PHE 31 -3.252 2.899 -0.080 237 HD2 PHE 31 HD2 PHE 31 -3.817 2.450 -4.339 238 HE1 PHE 31 HE1 PHE 31 -4.790 1.020 0.320 239 HE2 PHE 31 HE2 PHE 31 -5.370 0.586 -3.929 240 HZ PHE 31 HZ PHE 31 -5.833 -0.168 -1.595 241 H LYS 32 H LYS 32 -1.598 7.044 -2.557 242 HA LYS 32 HA LYS 32 1.226 6.721 -3.330 243 HB2 LYS 32 HB2 LYS 32 -0.338 7.949 -4.767 244 HB3 LYS 32 HB3 LYS 32 -0.613 9.142 -3.487 245 HG2 LYS 32 HG2 LYS 32 1.753 9.837 -3.620 246 HG3 LYS 32 HG3 LYS 32 2.085 8.560 -4.811 247 HD2 LYS 32 HD2 LYS 32 0.533 9.616 -6.406 248 HD3 LYS 32 HD3 LYS 32 0.102 10.841 -5.192 249 HE2 LYS 32 HE2 LYS 32 2.519 11.534 -5.123 250 HE3 LYS 32 HE3 LYS 32 2.839 10.424 -6.466 251 HZ1 LYS 32 HZ1 LYS 32 1.201 11.704 -7.759 252 HZ2 LYS 32 HZ2 LYS 32 1.007 12.736 -6.481 253 HZ3 LYS 32 HZ3 LYS 32 2.444 12.663 -7.255 254 H GLN 33 H GLN 33 -0.505 8.887 -0.999 255 HA GLN 33 HA GLN 33 1.854 10.167 -0.143 256 HB2 GLN 33 HB2 GLN 33 -0.298 11.105 0.240 257 HB3 GLN 33 HB3 GLN 33 -0.827 9.749 1.225 258 HG2 GLN 33 HG2 GLN 33 1.530 11.482 2.074 259 HG3 GLN 33 HG3 GLN 33 -0.120 12.004 2.372 260 HE21 GLN 33 HE21 GLN 33 -0.755 9.317 4.788 261 HE22 GLN 33 HE22 GLN 33 -1.602 10.194 3.545 262 H TYR 34 H TYR 34 0.266 7.420 1.716 263 HA TYR 34 HA TYR 34 2.290 7.543 3.682 264 HB2 TYR 34 HB2 TYR 34 0.462 6.489 4.469 265 HB3 TYR 34 HB3 TYR 34 0.144 5.598 3.000 266 HD1 TYR 34 HD1 TYR 34 0.469 3.278 3.077 267 HD2 TYR 34 HD2 TYR 34 2.865 5.810 5.620 268 HE1 TYR 34 HE1 TYR 34 1.559 1.266 4.057 269 HE2 TYR 34 HE2 TYR 34 3.973 3.829 6.556 270 HH TYR 34 HH TYR 34 4.015 1.485 6.645 271 H ALA 35 H ALA 35 2.121 5.268 0.934 272 HA ALA 35 HA ALA 35 4.545 3.960 1.476 273 HB1 ALA 35 HB1 ALA 35 3.257 4.487 -1.235 274 HB2 ALA 35 HB2 ALA 35 4.393 3.183 -0.821 275 HB3 ALA 35 HB3 ALA 35 2.780 3.195 -0.098 276 H ASN 36 H ASN 36 3.949 6.968 -0.496 277 HA ASN 36 HA ASN 36 6.695 7.154 -1.285 278 HB2 ASN 36 HB2 ASN 36 4.872 8.363 -2.425 279 HB3 ASN 36 HB3 ASN 36 4.630 9.364 -0.979 280 HD21 ASN 36 HD21 ASN 36 8.209 9.890 -2.987 281 HD22 ASN 36 HD22 ASN 36 7.728 8.266 -2.652 282 H ASP 37 H ASP 37 4.921 8.330 1.596 283 HA ASP 37 HA ASP 37 7.066 9.926 2.649 284 HB2 ASP 37 HB2 ASP 37 4.609 10.040 3.261 285 HB3 ASP 37 HB3 ASP 37 4.816 8.543 4.171 286 H ASN 38 H ASN 38 6.337 6.545 2.609 287 HA ASN 38 HA ASN 38 8.211 5.699 4.670 288 HB2 ASN 38 HB2 ASN 38 5.957 4.644 4.028 289 HB3 ASN 38 HB3 ASN 38 6.785 3.986 2.609 290 HD21 ASN 38 HD21 ASN 38 6.675 1.235 4.993 291 HD22 ASN 38 HD22 ASN 38 5.553 2.206 4.104 292 H GLY 39 H GLY 39 8.650 6.887 1.560 293 HA2 GLY 39 HA2 GLY 39 10.466 7.078 0.256 294 HA3 GLY 39 HA3 GLY 39 11.389 6.116 1.394 295 H VAL 40 H VAL 40 8.497 5.029 -0.528 296 HA VAL 40 HA VAL 40 10.060 2.723 -1.429 297 HB VAL 40 HB VAL 40 8.028 1.958 -2.463 298 HG11 VAL 40 HG11 VAL 40 7.513 3.142 0.294 299 HG12 VAL 40 HG12 VAL 40 6.590 1.876 -0.506 300 HG13 VAL 40 HG13 VAL 40 8.293 1.594 -0.086 301 HG21 VAL 40 HG21 VAL 40 6.761 4.648 -1.830 302 HG22 VAL 40 HG22 VAL 40 7.080 3.974 -3.434 303 HG23 VAL 40 HG23 VAL 40 5.910 3.185 -2.406 304 H ASP 41 H ASP 41 10.726 2.217 -3.480 305 HA ASP 41 HA ASP 41 10.262 4.056 -5.720 306 HB2 ASP 41 HB2 ASP 41 12.344 4.808 -4.493 307 HB3 ASP 41 HB3 ASP 41 13.098 3.279 -4.923 308 H GLY 42 H GLY 42 8.801 2.019 -5.892 309 HA2 GLY 42 HA2 GLY 42 10.206 0.002 -7.503 310 HA3 GLY 42 HA3 GLY 42 9.483 -0.610 -6.017 311 H GLU 43 H GLU 43 8.281 -1.966 -7.510 312 HA GLU 43 HA GLU 43 6.005 -0.689 -8.871 313 HB2 GLU 43 HB2 GLU 43 5.866 -2.554 -10.340 314 HB3 GLU 43 HB3 GLU 43 7.455 -1.805 -10.456 315 HG2 GLU 43 HG2 GLU 43 8.469 -3.604 -9.182 316 HG3 GLU 43 HG3 GLU 43 6.885 -4.308 -8.814 317 H TRP 44 H TRP 44 3.981 -1.588 -8.690 318 HA TRP 44 HA TRP 44 3.436 -2.853 -6.099 319 HB2 TRP 44 HB2 TRP 44 1.839 -1.210 -8.098 320 HB3 TRP 44 HB3 TRP 44 1.161 -1.854 -6.624 321 HD1 TRP 44 HD1 TRP 44 4.348 0.309 -7.391 322 HE1 TRP 44 HE1 TRP 44 4.751 1.846 -5.496 323 HE3 TRP 44 HE3 TRP 44 0.150 -0.704 -4.658 324 HZ2 TRP 44 HZ2 TRP 44 3.172 2.995 -3.284 325 HZ3 TRP 44 HZ3 TRP 44 -0.414 0.681 -2.677 326 HH2 TRP 44 HH2 TRP 44 1.114 2.522 -1.972 327 H THR 45 H THR 45 2.427 -4.740 -5.821 328 HA THR 45 HA THR 45 1.257 -6.255 -8.101 329 HB THR 45 HB THR 45 1.971 -8.257 -6.765 330 HG1 THR 45 HG1 THR 45 3.718 -6.505 -5.364 331 HG21 THR 45 HG21 THR 45 3.300 -7.529 -8.693 332 HG22 THR 45 HG22 THR 45 4.264 -6.456 -7.659 333 HG23 THR 45 HG23 THR 45 4.331 -8.218 -7.429 334 H TYR 46 H TYR 46 -0.609 -7.779 -7.281 335 HA TYR 46 HA TYR 46 -1.858 -6.700 -4.802 336 HB2 TYR 46 HB2 TYR 46 -2.687 -5.382 -6.698 337 HB3 TYR 46 HB3 TYR 46 -3.194 -6.863 -7.509 338 HD1 TYR 46 HD1 TYR 46 -3.616 -5.237 -4.126 339 HD2 TYR 46 HD2 TYR 46 -5.507 -7.302 -7.417 340 HE1 TYR 46 HE1 TYR 46 -5.774 -5.171 -2.925 341 HE2 TYR 46 HE2 TYR 46 -7.691 -7.111 -6.283 342 HH TYR 46 HH TYR 46 -8.776 -6.548 -4.246 343 H ASP 47 H ASP 47 -3.169 -7.999 -3.628 344 HA ASP 47 HA ASP 47 -3.894 -10.711 -4.598 345 HB2 ASP 47 HB2 ASP 47 -2.392 -10.073 -2.053 346 HB3 ASP 47 HB3 ASP 47 -3.479 -11.455 -2.155 347 H ASP 48 H ASP 48 -6.092 -10.158 -4.905 348 HA ASP 48 HA ASP 48 -7.557 -8.378 -3.282 349 HB2 ASP 48 HB2 ASP 48 -8.166 -9.246 -5.618 350 HB3 ASP 48 HB3 ASP 48 -8.793 -10.686 -4.812 351 H ALA 49 H ALA 49 -6.809 -11.710 -2.702 352 HA ALA 49 HA ALA 49 -8.943 -12.503 -1.079 353 HB1 ALA 49 HB1 ALA 49 -7.138 -14.011 -1.893 354 HB2 ALA 49 HB2 ALA 49 -5.977 -13.207 -0.811 355 HB3 ALA 49 HB3 ALA 49 -7.334 -14.124 -0.133 356 H THR 50 H THR 50 -6.399 -10.313 -0.332 357 HA THR 50 HA THR 50 -7.432 -9.902 2.431 358 HB THR 50 HB THR 50 -5.540 -11.017 3.020 359 HG1 THR 50 HG1 THR 50 -5.196 -8.955 3.807 360 HG21 THR 50 HG21 THR 50 -4.093 -10.020 0.522 361 HG22 THR 50 HG22 THR 50 -3.340 -10.976 1.819 362 HG23 THR 50 HG23 THR 50 -4.634 -11.672 0.863 363 H LYS 51 H LYS 51 -6.420 -8.589 -0.643 364 HA LYS 51 HA LYS 51 -6.655 -6.845 -1.691 365 HB2 LYS 51 HB2 LYS 51 -7.944 -5.575 0.734 366 HB3 LYS 51 HB3 LYS 51 -7.826 -4.859 -0.880 367 HG2 LYS 51 HG2 LYS 51 -9.037 -6.915 -1.778 368 HG3 LYS 51 HG3 LYS 51 -9.305 -7.419 -0.115 369 HD2 LYS 51 HD2 LYS 51 -10.717 -5.575 0.346 370 HD3 LYS 51 HD3 LYS 51 -10.280 -4.723 -1.143 371 HE2 LYS 51 HE2 LYS 51 -11.630 -7.460 -1.141 372 HE3 LYS 51 HE3 LYS 51 -12.548 -5.953 -0.994 373 HZ1 LYS 51 HZ1 LYS 51 -11.614 -5.224 -3.097 374 HZ2 LYS 51 HZ2 LYS 51 -10.878 -6.693 -3.315 375 HZ3 LYS 51 HZ3 LYS 51 -12.513 -6.566 -3.254 376 H THR 52 H THR 52 -4.441 -7.906 -0.483 377 HA THR 52 HA THR 52 -2.827 -5.865 0.745 378 HB THR 52 HB THR 52 -2.152 -8.668 -0.204 379 HG1 THR 52 HG1 THR 52 -3.337 -8.526 1.805 380 HG21 THR 52 HG21 THR 52 -0.118 -7.158 -0.263 381 HG22 THR 52 HG22 THR 52 -0.446 -6.713 1.416 382 HG23 THR 52 HG23 THR 52 -0.007 -8.384 0.974 383 H PHE 53 H PHE 53 -1.420 -4.614 -0.185 384 HA PHE 53 HA PHE 53 -0.812 -4.738 -3.083 385 HB2 PHE 53 HB2 PHE 53 -1.432 -2.464 -1.169 386 HB3 PHE 53 HB3 PHE 53 -0.431 -2.196 -2.577 387 HD1 PHE 53 HD1 PHE 53 -1.359 -2.395 -4.882 388 HD2 PHE 53 HD2 PHE 53 -3.848 -2.823 -1.383 389 HE1 PHE 53 HE1 PHE 53 -3.362 -1.897 -6.253 390 HE2 PHE 53 HE2 PHE 53 -5.858 -2.360 -2.777 391 HZ PHE 53 HZ PHE 53 -5.602 -1.824 -5.189 392 H THR 54 H THR 54 1.262 -5.552 -3.107 393 HA THR 54 HA THR 54 3.088 -4.859 -0.882 394 HB THR 54 HB THR 54 3.165 -7.301 -2.690 395 HG1 THR 54 HG1 THR 54 2.754 -8.200 -0.415 396 HG21 THR 54 HG21 THR 54 4.864 -8.132 -1.185 397 HG22 THR 54 HG22 THR 54 5.400 -6.556 -1.737 398 HG23 THR 54 HG23 THR 54 4.703 -6.710 -0.117 399 H VAL 55 H VAL 55 5.096 -4.090 -1.429 400 HA VAL 55 HA VAL 55 5.718 -3.510 -4.259 401 HB VAL 55 HB VAL 55 5.741 -1.604 -1.890 402 HG11 VAL 55 HG11 VAL 55 7.857 -1.244 -3.037 403 HG12 VAL 55 HG12 VAL 55 7.035 -1.195 -4.618 404 HG13 VAL 55 HG13 VAL 55 6.762 0.090 -3.420 405 HG21 VAL 55 HG21 VAL 55 3.598 -1.752 -3.177 406 HG22 VAL 55 HG22 VAL 55 4.380 -0.176 -3.323 407 HG23 VAL 55 HG23 VAL 55 4.516 -1.356 -4.655 408 H THR 56 H THR 56 7.867 -3.943 -4.706 409 HA THR 56 HA THR 56 9.682 -4.410 -2.432 410 HB THR 56 HB THR 56 9.464 -6.216 -4.863 411 HG1 THR 56 HG1 THR 56 8.881 -7.616 -2.827 412 HG21 THR 56 HG21 THR 56 11.004 -7.650 -3.562 413 HG22 THR 56 HG22 THR 56 11.736 -6.078 -3.893 414 HG23 THR 56 HG23 THR 56 11.082 -6.425 -2.276 415 H GLU 57 H GLU 57 11.318 -3.036 -2.538 416 HA GLU 57 HA GLU 57 11.735 -1.295 -4.815 417 HB2 GLU 57 HB2 GLU 57 12.220 -0.843 -2.285 418 HB3 GLU 57 HB3 GLU 57 13.678 -1.807 -2.509 419 HG2 GLU 57 HG2 GLU 57 14.247 -0.249 -4.451 420 HG3 GLU 57 HG3 GLU 57 12.890 0.770 -3.933 Start of MODEL 19 1 H1 MET 1 H MET 1 -17.382 0.814 2.167 2 HA MET 1 HA MET 1 -17.131 -0.162 -0.083 3 HB2 MET 1 HB2 MET 1 -15.262 1.800 -0.361 4 HB3 MET 1 HB3 MET 1 -14.203 0.419 -0.060 5 HG2 MET 1 HG2 MET 1 -14.482 0.656 -2.446 6 HG3 MET 1 HG3 MET 1 -15.387 -0.786 -1.946 7 HE1 MET 1 HE1 MET 1 -15.874 0.844 -4.843 8 HE2 MET 1 HE2 MET 1 -16.449 -0.736 -4.274 9 HE3 MET 1 HE3 MET 1 -17.616 0.468 -4.861 10 H GLY 2 H GLY 2 -13.866 -0.425 1.408 11 HA2 GLY 2 HA2 GLY 2 -14.695 -2.420 3.348 12 HA3 GLY 2 HA3 GLY 2 -13.861 -3.131 1.982 13 H THR 3 H THR 3 -12.330 -3.781 3.698 14 HA THR 3 HA THR 3 -10.408 -1.705 4.579 15 HB THR 3 HB THR 3 -11.073 -3.145 6.379 16 HG1 THR 3 HG1 THR 3 -8.824 -2.787 6.185 17 HG21 THR 3 HG21 THR 3 -12.056 -5.026 5.159 18 HG22 THR 3 HG22 THR 3 -10.455 -5.499 4.556 19 HG23 THR 3 HG23 THR 3 -10.820 -5.615 6.288 20 H TYR 4 H TYR 4 -8.337 -1.629 3.877 21 HA TYR 4 HA TYR 4 -7.473 -3.631 1.848 22 HB2 TYR 4 HB2 TYR 4 -7.038 -0.617 1.812 23 HB3 TYR 4 HB3 TYR 4 -6.329 -1.753 0.674 24 HD1 TYR 4 HD1 TYR 4 -7.932 -3.136 -0.877 25 HD2 TYR 4 HD2 TYR 4 -9.201 0.269 1.545 26 HE1 TYR 4 HE1 TYR 4 -10.052 -2.928 -2.206 27 HE2 TYR 4 HE2 TYR 4 -11.281 0.444 0.211 28 HH TYR 4 HH TYR 4 -12.693 -0.860 -1.294 29 H LYS 5 H LYS 5 -5.476 -4.476 2.075 30 HA LYS 5 HA LYS 5 -3.826 -3.489 4.337 31 HB2 LYS 5 HB2 LYS 5 -4.740 -5.954 3.972 32 HB3 LYS 5 HB3 LYS 5 -3.312 -6.119 2.943 33 HG2 LYS 5 HG2 LYS 5 -1.917 -5.341 4.939 34 HG3 LYS 5 HG3 LYS 5 -3.405 -5.329 5.898 35 HD2 LYS 5 HD2 LYS 5 -3.709 -7.745 5.480 36 HD3 LYS 5 HD3 LYS 5 -2.239 -7.761 4.475 37 HE2 LYS 5 HE2 LYS 5 -1.118 -6.676 6.620 38 HE3 LYS 5 HE3 LYS 5 -2.508 -7.364 7.470 39 HZ1 LYS 5 HZ1 LYS 5 -1.885 -9.540 6.668 40 HZ2 LYS 5 HZ2 LYS 5 -0.647 -8.932 5.774 41 HZ3 LYS 5 HZ3 LYS 5 -0.581 -8.868 7.413 42 H LEU 6 H LEU 6 -1.466 -3.454 4.240 43 HA LEU 6 HA LEU 6 -0.312 -2.847 1.608 44 HB2 LEU 6 HB2 LEU 6 -1.290 -0.866 3.539 45 HB3 LEU 6 HB3 LEU 6 0.440 -0.679 3.258 46 HG LEU 6 HG LEU 6 -1.443 -0.867 0.898 47 HD11 LEU 6 HD11 LEU 6 -2.422 0.916 2.310 48 HD12 LEU 6 HD12 LEU 6 -0.823 1.675 2.471 49 HD13 LEU 6 HD13 LEU 6 -1.617 1.626 0.894 50 HD21 LEU 6 HD21 LEU 6 1.227 0.506 1.394 51 HD22 LEU 6 HD22 LEU 6 0.969 -0.998 0.496 52 HD23 LEU 6 HD23 LEU 6 0.330 0.533 -0.140 53 H ILE 7 H ILE 7 1.906 -3.239 1.562 54 HA ILE 7 HA ILE 7 3.487 -2.827 3.955 55 HB ILE 7 HB ILE 7 2.961 -5.165 4.270 56 HG12 ILE 7 HG12 ILE 7 5.805 -4.786 3.259 57 HG13 ILE 7 HG13 ILE 7 5.197 -4.499 4.896 58 HG21 ILE 7 HG21 ILE 7 3.659 -6.902 2.550 59 HG22 ILE 7 HG22 ILE 7 2.276 -5.896 2.075 60 HG23 ILE 7 HG23 ILE 7 3.868 -5.574 1.392 61 HD11 ILE 7 HD11 ILE 7 6.381 -6.623 4.859 62 HD12 ILE 7 HD12 ILE 7 4.654 -6.921 5.097 63 HD13 ILE 7 HD13 ILE 7 5.380 -7.198 3.502 64 H LEU 8 H LEU 8 5.334 -1.761 3.384 65 HA LEU 8 HA LEU 8 6.195 -1.755 0.563 66 HB2 LEU 8 HB2 LEU 8 7.188 -0.105 2.931 67 HB3 LEU 8 HB3 LEU 8 7.517 0.191 1.226 68 HG LEU 8 HG LEU 8 5.898 1.808 1.801 69 HD11 LEU 8 HD11 LEU 8 4.069 -0.414 0.820 70 HD12 LEU 8 HD12 LEU 8 3.968 1.331 0.508 71 HD13 LEU 8 HD13 LEU 8 5.252 0.378 -0.253 72 HD21 LEU 8 HD21 LEU 8 5.368 0.347 3.973 73 HD22 LEU 8 HD22 LEU 8 4.254 1.595 3.392 74 HD23 LEU 8 HD23 LEU 8 3.944 -0.115 3.017 75 H ASN 9 H ASN 9 8.173 -2.573 -0.092 76 HA ASN 9 HA ASN 9 10.069 -3.573 1.964 77 HB2 ASN 9 HB2 ASN 9 9.208 -4.901 -0.642 78 HB3 ASN 9 HB3 ASN 9 10.681 -5.347 0.212 79 HD21 ASN 9 HD21 ASN 9 7.014 -6.569 1.553 80 HD22 ASN 9 HD22 ASN 9 7.131 -5.360 0.280 81 H GLY 10 H GLY 10 11.833 -2.258 1.912 82 HA2 GLY 10 HA2 GLY 10 12.812 -1.253 -0.723 83 HA3 GLY 10 HA3 GLY 10 12.921 -0.343 0.769 84 H LYS 11 H LYS 11 15.213 -0.523 -0.446 85 HA LYS 11 HA LYS 11 16.911 -2.676 -0.011 86 HB2 LYS 11 HB2 LYS 11 17.355 -0.471 -1.227 87 HB3 LYS 11 HB3 LYS 11 17.745 0.234 0.345 88 HG2 LYS 11 HG2 LYS 11 19.632 -1.316 0.600 89 HG3 LYS 11 HG3 LYS 11 19.088 -2.267 -0.792 90 HD2 LYS 11 HD2 LYS 11 19.606 -0.451 -2.315 91 HD3 LYS 11 HD3 LYS 11 19.941 0.655 -0.958 92 HE2 LYS 11 HE2 LYS 11 21.481 -1.913 -1.572 93 HE3 LYS 11 HE3 LYS 11 22.031 -0.287 -1.991 94 HZ1 LYS 11 HZ1 LYS 11 22.999 -1.080 0.096 95 HZ2 LYS 11 HZ2 LYS 11 22.079 0.255 0.359 96 HZ3 LYS 11 HZ3 LYS 11 21.506 -1.227 0.773 97 H THR 12 H THR 12 16.419 -0.049 2.410 98 HA THR 12 HA THR 12 16.992 -1.976 4.583 99 HB THR 12 HB THR 12 19.079 -0.721 4.274 100 HG1 THR 12 HG1 THR 12 17.720 0.427 6.470 101 HG21 THR 12 HG21 THR 12 17.398 1.794 4.657 102 HG22 THR 12 HG22 THR 12 19.171 1.719 4.594 103 HG23 THR 12 HG23 THR 12 18.213 1.297 3.161 104 H LEU 13 H LEU 13 14.495 -1.132 3.508 105 HA LEU 13 HA LEU 13 13.368 0.464 5.724 106 HB2 LEU 13 HB2 LEU 13 13.472 1.124 2.794 107 HB3 LEU 13 HB3 LEU 13 11.949 1.440 3.623 108 HG LEU 13 HG LEU 13 14.626 2.564 4.548 109 HD11 LEU 13 HD11 LEU 13 14.177 3.568 2.376 110 HD12 LEU 13 HD12 LEU 13 12.473 3.832 2.800 111 HD13 LEU 13 HD13 LEU 13 13.735 4.756 3.620 112 HD21 LEU 13 HD21 LEU 13 13.112 4.133 5.804 113 HD22 LEU 13 HD22 LEU 13 11.738 3.135 5.305 114 HD23 LEU 13 HD23 LEU 13 13.004 2.442 6.341 115 H LYS 14 H LYS 14 11.185 -0.024 6.168 116 HA LYS 14 HA LYS 14 9.702 -2.049 4.720 117 HB2 LYS 14 HB2 LYS 14 11.859 -2.998 6.234 118 HB3 LYS 14 HB3 LYS 14 10.466 -3.281 7.282 119 HG2 LYS 14 HG2 LYS 14 9.352 -4.492 5.356 120 HG3 LYS 14 HG3 LYS 14 10.797 -4.186 4.377 121 HD2 LYS 14 HD2 LYS 14 12.155 -5.449 6.071 122 HD3 LYS 14 HD3 LYS 14 10.647 -5.828 6.941 123 HE2 LYS 14 HE2 LYS 14 9.747 -6.975 4.964 124 HE3 LYS 14 HE3 LYS 14 11.153 -6.501 4.004 125 HZ1 LYS 14 HZ1 LYS 14 12.499 -7.809 5.663 126 HZ2 LYS 14 HZ2 LYS 14 11.092 -8.408 6.265 127 HZ3 LYS 14 HZ3 LYS 14 11.513 -8.716 4.707 128 H GLY 15 H GLY 15 7.698 -2.762 5.754 129 HA2 GLY 15 HA2 GLY 15 6.661 -2.399 8.184 130 HA3 GLY 15 HA3 GLY 15 6.577 -0.751 7.598 131 H GLU 16 H GLU 16 4.429 -2.662 8.323 132 HA GLU 16 HA GLU 16 2.864 -2.770 5.809 133 HB2 GLU 16 HB2 GLU 16 2.089 -4.949 6.337 134 HB3 GLU 16 HB3 GLU 16 3.845 -5.024 6.514 135 HG2 GLU 16 HG2 GLU 16 3.491 -4.693 9.025 136 HG3 GLU 16 HG3 GLU 16 1.753 -4.867 8.725 137 H THR 17 H THR 17 0.451 -2.864 6.391 138 HA THR 17 HA THR 17 -0.549 -1.858 8.843 139 HB THR 17 HB THR 17 0.655 0.164 7.882 140 HG1 THR 17 HG1 THR 17 -0.960 1.421 8.547 141 HG21 THR 17 HG21 THR 17 0.307 -0.072 5.501 142 HG22 THR 17 HG22 THR 17 -1.454 -0.139 5.716 143 HG23 THR 17 HG23 THR 17 -0.576 1.369 6.039 144 H THR 18 H THR 18 -2.886 -1.173 8.531 145 HA THR 18 HA THR 18 -4.198 -2.174 6.079 146 HB THR 18 HB THR 18 -4.273 -3.900 8.025 147 HG1 THR 18 HG1 THR 18 -5.726 -4.356 6.567 148 HG21 THR 18 HG21 THR 18 -6.251 -3.468 9.573 149 HG22 THR 18 HG22 THR 18 -4.785 -2.528 9.920 150 HG23 THR 18 HG23 THR 18 -6.151 -1.764 9.087 151 H THR 19 H THR 19 -6.289 -1.235 5.723 152 HA THR 19 HA THR 19 -6.927 1.228 7.237 153 HB THR 19 HB THR 19 -7.418 2.304 4.963 154 HG1 THR 19 HG1 THR 19 -5.551 0.374 4.068 155 HG21 THR 19 HG21 THR 19 -5.009 2.930 4.537 156 HG22 THR 19 HG22 THR 19 -5.531 3.126 6.222 157 HG23 THR 19 HG23 THR 19 -4.542 1.729 5.756 158 H GLU 20 H GLU 20 -9.161 1.995 6.765 159 HA GLU 20 HA GLU 20 -10.837 0.227 5.095 160 HB2 GLU 20 HB2 GLU 20 -11.358 -0.260 7.449 161 HB3 GLU 20 HB3 GLU 20 -11.600 1.459 7.781 162 HG2 GLU 20 HG2 GLU 20 -13.623 1.517 6.515 163 HG3 GLU 20 HG3 GLU 20 -13.237 0.005 5.677 164 H ALA 21 H ALA 21 -11.979 1.391 3.572 165 HA ALA 21 HA ALA 21 -11.738 4.352 3.615 166 HB1 ALA 21 HB1 ALA 21 -11.222 4.153 1.136 167 HB2 ALA 21 HB2 ALA 21 -9.945 3.515 2.193 168 HB3 ALA 21 HB3 ALA 21 -11.048 2.399 1.371 169 H VAL 22 H VAL 22 -13.386 5.482 2.558 170 HA VAL 22 HA VAL 22 -15.977 4.181 2.555 171 HB VAL 22 HB VAL 22 -16.900 6.406 2.347 172 HG11 VAL 22 HG11 VAL 22 -14.507 6.726 4.195 173 HG12 VAL 22 HG12 VAL 22 -16.101 7.493 4.315 174 HG13 VAL 22 HG13 VAL 22 -15.940 5.754 4.598 175 HG21 VAL 22 HG21 VAL 22 -14.097 7.357 1.693 176 HG22 VAL 22 HG22 VAL 22 -15.521 7.383 0.640 177 HG23 VAL 22 HG23 VAL 22 -15.463 8.434 2.064 178 H ASP 23 H ASP 23 -13.690 5.487 0.169 179 HA ASP 23 HA ASP 23 -15.035 3.929 -1.944 180 HB2 ASP 23 HB2 ASP 23 -15.525 6.515 -1.984 181 HB3 ASP 23 HB3 ASP 23 -13.856 6.649 -2.533 182 H ALA 24 H ALA 24 -13.528 3.212 -3.597 183 HA ALA 24 HA ALA 24 -10.899 2.529 -2.691 184 HB1 ALA 24 HB1 ALA 24 -10.701 1.493 -4.926 185 HB2 ALA 24 HB2 ALA 24 -12.285 1.112 -4.245 186 HB3 ALA 24 HB3 ALA 24 -12.144 2.374 -5.479 187 H ALA 25 H ALA 25 -12.204 5.357 -4.179 188 HA ALA 25 HA ALA 25 -9.850 6.410 -5.425 189 HB1 ALA 25 HB1 ALA 25 -12.255 7.153 -5.795 190 HB2 ALA 25 HB2 ALA 25 -12.204 7.919 -4.192 191 HB3 ALA 25 HB3 ALA 25 -11.117 8.481 -5.472 192 H THR 26 H THR 26 -11.168 6.513 -2.108 193 HA THR 26 HA THR 26 -9.315 8.385 -0.988 194 HB THR 26 HB THR 26 -11.023 6.207 0.284 195 HG1 THR 26 HG1 THR 26 -12.016 8.405 0.933 196 HG21 THR 26 HG21 THR 26 -9.673 8.565 1.660 197 HG22 THR 26 HG22 THR 26 -10.702 7.327 2.409 198 HG23 THR 26 HG23 THR 26 -9.115 6.883 1.752 199 H ALA 27 H ALA 27 -9.502 4.798 -0.677 200 HA ALA 27 HA ALA 27 -7.003 4.144 0.253 201 HB1 ALA 27 HB1 ALA 27 -8.214 2.698 -2.122 202 HB2 ALA 27 HB2 ALA 27 -7.412 2.017 -0.690 203 HB3 ALA 27 HB3 ALA 27 -9.043 2.693 -0.550 204 H GLU 28 H GLU 28 -7.837 4.919 -3.167 205 HA GLU 28 HA GLU 28 -5.277 4.469 -4.296 206 HB2 GLU 28 HB2 GLU 28 -7.366 4.440 -5.570 207 HB3 GLU 28 HB3 GLU 28 -7.669 6.139 -5.192 208 HG2 GLU 28 HG2 GLU 28 -5.767 6.832 -6.554 209 HG3 GLU 28 HG3 GLU 28 -5.238 5.152 -6.746 210 H LYS 29 H LYS 29 -6.837 7.332 -2.821 211 HA LYS 29 HA LYS 29 -4.636 9.101 -3.263 212 HB2 LYS 29 HB2 LYS 29 -6.996 9.763 -2.695 213 HB3 LYS 29 HB3 LYS 29 -6.722 9.212 -1.038 214 HG2 LYS 29 HG2 LYS 29 -4.735 10.895 -1.006 215 HG3 LYS 29 HG3 LYS 29 -5.375 11.501 -2.542 216 HD2 LYS 29 HD2 LYS 29 -7.490 12.097 -1.486 217 HD3 LYS 29 HD3 LYS 29 -6.984 11.332 0.042 218 HE2 LYS 29 HE2 LYS 29 -5.104 12.934 0.235 219 HE3 LYS 29 HE3 LYS 29 -5.555 13.675 -1.305 220 HZ1 LYS 29 HZ1 LYS 29 -7.144 13.697 1.196 221 HZ2 LYS 29 HZ2 LYS 29 -6.448 14.989 0.457 222 HZ3 LYS 29 HZ3 LYS 29 -7.724 14.232 -0.248 223 H VAL 30 H VAL 30 -5.286 6.937 -0.503 224 HA VAL 30 HA VAL 30 -3.185 7.726 1.183 225 HB VAL 30 HB VAL 30 -4.808 5.201 0.881 226 HG11 VAL 30 HG11 VAL 30 -2.352 5.463 2.659 227 HG12 VAL 30 HG12 VAL 30 -3.703 4.384 3.028 228 HG13 VAL 30 HG13 VAL 30 -2.790 4.164 1.530 229 HG21 VAL 30 HG21 VAL 30 -5.553 5.769 3.160 230 HG22 VAL 30 HG22 VAL 30 -4.518 7.199 3.147 231 HG23 VAL 30 HG23 VAL 30 -5.850 7.002 2.102 232 H PHE 31 H PHE 31 -3.258 5.376 -1.521 233 HA PHE 31 HA PHE 31 -0.975 3.910 -1.004 234 HB2 PHE 31 HB2 PHE 31 -2.130 4.787 -3.687 235 HB3 PHE 31 HB3 PHE 31 -0.947 3.504 -3.483 236 HD1 PHE 31 HD1 PHE 31 -2.500 2.747 -0.671 237 HD2 PHE 31 HD2 PHE 31 -3.600 3.131 -4.823 238 HE1 PHE 31 HE1 PHE 31 -4.409 1.204 -0.308 239 HE2 PHE 31 HE2 PHE 31 -5.511 1.587 -4.455 240 HZ PHE 31 HZ PHE 31 -5.920 0.625 -2.198 241 H LYS 32 H LYS 32 -1.174 6.973 -2.864 242 HA LYS 32 HA LYS 32 1.646 7.077 -3.378 243 HB2 LYS 32 HB2 LYS 32 -0.285 8.143 -4.703 244 HB3 LYS 32 HB3 LYS 32 -0.275 9.437 -3.497 245 HG2 LYS 32 HG2 LYS 32 2.048 10.006 -4.111 246 HG3 LYS 32 HG3 LYS 32 2.160 8.562 -5.130 247 HD2 LYS 32 HD2 LYS 32 0.388 9.477 -6.611 248 HD3 LYS 32 HD3 LYS 32 0.294 10.931 -5.583 249 HE2 LYS 32 HE2 LYS 32 2.622 11.493 -6.069 250 HE3 LYS 32 HE3 LYS 32 2.855 9.970 -6.939 251 HZ1 LYS 32 HZ1 LYS 32 1.213 10.745 -8.570 252 HZ2 LYS 32 HZ2 LYS 32 1.057 12.175 -7.776 253 HZ3 LYS 32 HZ3 LYS 32 2.488 11.782 -8.480 254 H GLN 33 H GLN 33 -0.289 8.619 -0.792 255 HA GLN 33 HA GLN 33 1.864 10.301 0.134 256 HB2 GLN 33 HB2 GLN 33 -0.433 10.996 0.413 257 HB3 GLN 33 HB3 GLN 33 -0.864 9.485 1.225 258 HG2 GLN 33 HG2 GLN 33 1.285 11.157 2.491 259 HG3 GLN 33 HG3 GLN 33 -0.372 11.776 2.562 260 HE21 GLN 33 HE21 GLN 33 -1.369 8.799 4.538 261 HE22 GLN 33 HE22 GLN 33 -1.950 9.552 3.049 262 H TYR 34 H TYR 34 0.308 7.249 1.321 263 HA TYR 34 HA TYR 34 1.623 7.187 3.809 264 HB2 TYR 34 HB2 TYR 34 -0.315 5.890 3.634 265 HB3 TYR 34 HB3 TYR 34 0.160 5.189 2.094 266 HD1 TYR 34 HD1 TYR 34 1.051 2.990 2.066 267 HD2 TYR 34 HD2 TYR 34 1.168 5.295 5.713 268 HE1 TYR 34 HE1 TYR 34 1.968 1.023 3.276 269 HE2 TYR 34 HE2 TYR 34 2.102 3.321 6.927 270 HH TYR 34 HH TYR 34 2.732 1.141 6.787 271 H ALA 35 H ALA 35 2.613 5.768 0.671 272 HA ALA 35 HA ALA 35 4.661 4.086 1.905 273 HB1 ALA 35 HB1 ALA 35 3.872 4.479 -1.021 274 HB2 ALA 35 HB2 ALA 35 4.869 3.162 -0.363 275 HB3 ALA 35 HB3 ALA 35 3.155 3.271 0.070 276 H ASN 36 H ASN 36 4.481 6.909 -0.292 277 HA ASN 36 HA ASN 36 7.234 7.351 -0.717 278 HB2 ASN 36 HB2 ASN 36 5.374 8.445 -1.975 279 HB3 ASN 36 HB3 ASN 36 4.936 9.353 -0.532 280 HD21 ASN 36 HD21 ASN 36 8.304 10.397 -2.668 281 HD22 ASN 36 HD22 ASN 36 7.710 8.742 -2.765 282 H ASP 37 H ASP 37 5.222 7.903 2.131 283 HA ASP 37 HA ASP 37 7.089 9.541 3.610 284 HB2 ASP 37 HB2 ASP 37 4.567 9.485 3.894 285 HB3 ASP 37 HB3 ASP 37 4.739 7.871 4.581 286 H ASN 38 H ASN 38 6.551 6.099 3.048 287 HA ASN 38 HA ASN 38 8.508 5.286 5.092 288 HB2 ASN 38 HB2 ASN 38 6.172 4.127 4.251 289 HB3 ASN 38 HB3 ASN 38 7.319 3.300 3.203 290 HD21 ASN 38 HD21 ASN 38 6.953 1.248 6.255 291 HD22 ASN 38 HD22 ASN 38 5.943 1.720 4.893 292 H GLY 39 H GLY 39 8.475 6.291 1.804 293 HA2 GLY 39 HA2 GLY 39 10.368 6.867 0.617 294 HA3 GLY 39 HA3 GLY 39 11.365 6.012 1.776 295 H VAL 40 H VAL 40 9.185 5.563 -0.992 296 HA VAL 40 HA VAL 40 10.385 2.919 -1.602 297 HB VAL 40 HB VAL 40 8.195 2.157 -2.389 298 HG11 VAL 40 HG11 VAL 40 7.793 3.266 0.412 299 HG12 VAL 40 HG12 VAL 40 7.054 1.829 -0.315 300 HG13 VAL 40 HG13 VAL 40 8.786 1.838 0.046 301 HG21 VAL 40 HG21 VAL 40 7.043 4.794 -1.430 302 HG22 VAL 40 HG22 VAL 40 7.290 4.336 -3.123 303 HG23 VAL 40 HG23 VAL 40 6.138 3.430 -2.130 304 H ASP 41 H ASP 41 10.685 2.435 -3.817 305 HA ASP 41 HA ASP 41 10.003 4.351 -5.915 306 HB2 ASP 41 HB2 ASP 41 12.184 5.158 -4.987 307 HB3 ASP 41 HB3 ASP 41 12.885 3.572 -5.305 308 H GLY 42 H GLY 42 8.665 2.137 -5.877 309 HA2 GLY 42 HA2 GLY 42 10.131 0.045 -7.420 310 HA3 GLY 42 HA3 GLY 42 9.111 -0.359 -6.054 311 H GLU 43 H GLU 43 7.278 -1.285 -6.752 312 HA GLU 43 HA GLU 43 5.615 -0.251 -8.878 313 HB2 GLU 43 HB2 GLU 43 5.869 -2.193 -10.345 314 HB3 GLU 43 HB3 GLU 43 7.402 -1.326 -10.202 315 HG2 GLU 43 HG2 GLU 43 8.061 -3.066 -8.428 316 HG3 GLU 43 HG3 GLU 43 6.605 -3.960 -8.896 317 H TRP 44 H TRP 44 3.542 -1.409 -8.877 318 HA TRP 44 HA TRP 44 3.089 -2.449 -6.126 319 HB2 TRP 44 HB2 TRP 44 1.592 -0.436 -7.825 320 HB3 TRP 44 HB3 TRP 44 0.825 -1.236 -6.461 321 HD1 TRP 44 HD1 TRP 44 4.161 0.686 -7.037 322 HE1 TRP 44 HE1 TRP 44 4.521 2.377 -5.080 323 HE3 TRP 44 HE3 TRP 44 -0.002 -0.414 -4.256 324 HZ2 TRP 44 HZ2 TRP 44 3.130 3.125 -2.687 325 HZ3 TRP 44 HZ3 TRP 44 -0.468 0.822 -2.158 326 HH2 TRP 44 HH2 TRP 44 1.087 2.588 -1.363 327 H THR 45 H THR 45 2.139 -4.366 -5.915 328 HA THR 45 HA THR 45 0.372 -5.443 -8.043 329 HB THR 45 HB THR 45 1.336 -7.677 -7.704 330 HG1 THR 45 HG1 THR 45 3.011 -7.988 -6.349 331 HG21 THR 45 HG21 THR 45 2.386 -5.982 -9.387 332 HG22 THR 45 HG22 THR 45 3.723 -5.900 -8.221 333 HG23 THR 45 HG23 THR 45 3.294 -7.450 -8.970 334 H TYR 46 H TYR 46 -0.949 -7.339 -7.134 335 HA TYR 46 HA TYR 46 -1.983 -6.525 -4.482 336 HB2 TYR 46 HB2 TYR 46 -2.981 -4.991 -6.132 337 HB3 TYR 46 HB3 TYR 46 -3.515 -6.354 -7.106 338 HD1 TYR 46 HD1 TYR 46 -3.829 -4.935 -3.621 339 HD2 TYR 46 HD2 TYR 46 -5.694 -7.158 -6.808 340 HE1 TYR 46 HE1 TYR 46 -5.977 -4.918 -2.367 341 HE2 TYR 46 HE2 TYR 46 -7.869 -7.114 -5.565 342 HH TYR 46 HH TYR 46 -8.979 -6.296 -3.750 343 H ASP 47 H ASP 47 -3.060 -8.107 -3.380 344 HA ASP 47 HA ASP 47 -3.870 -10.615 -4.738 345 HB2 ASP 47 HB2 ASP 47 -2.333 -10.239 -2.142 346 HB3 ASP 47 HB3 ASP 47 -3.221 -11.717 -2.516 347 H ASP 48 H ASP 48 -6.043 -10.900 -4.521 348 HA ASP 48 HA ASP 48 -7.553 -8.829 -3.155 349 HB2 ASP 48 HB2 ASP 48 -7.956 -9.469 -5.525 350 HB3 ASP 48 HB3 ASP 48 -8.384 -11.100 -5.007 351 H ALA 49 H ALA 49 -6.163 -11.203 -1.696 352 HA ALA 49 HA ALA 49 -8.380 -12.845 -0.710 353 HB1 ALA 49 HB1 ALA 49 -6.195 -13.864 -1.330 354 HB2 ALA 49 HB2 ALA 49 -5.383 -12.877 -0.095 355 HB3 ALA 49 HB3 ALA 49 -6.559 -14.110 0.393 356 H THR 50 H THR 50 -5.829 -10.742 0.764 357 HA THR 50 HA THR 50 -7.824 -9.816 2.771 358 HB THR 50 HB THR 50 -5.807 -11.018 3.727 359 HG1 THR 50 HG1 THR 50 -6.647 -8.444 4.267 360 HG21 THR 50 HG21 THR 50 -4.158 -8.574 3.098 361 HG22 THR 50 HG22 THR 50 -3.643 -10.213 3.548 362 HG23 THR 50 HG23 THR 50 -4.250 -9.892 1.913 363 H LYS 51 H LYS 51 -6.967 -9.062 -0.120 364 HA LYS 51 HA LYS 51 -6.557 -7.189 -1.367 365 HB2 LYS 51 HB2 LYS 51 -7.836 -5.682 0.955 366 HB3 LYS 51 HB3 LYS 51 -7.770 -5.168 -0.735 367 HG2 LYS 51 HG2 LYS 51 -9.074 -7.439 -1.178 368 HG3 LYS 51 HG3 LYS 51 -9.386 -7.390 0.565 369 HD2 LYS 51 HD2 LYS 51 -10.365 -5.101 0.286 370 HD3 LYS 51 HD3 LYS 51 -10.123 -5.246 -1.473 371 HE2 LYS 51 HE2 LYS 51 -11.614 -7.402 0.054 372 HE3 LYS 51 HE3 LYS 51 -12.454 -5.914 -0.399 373 HZ1 LYS 51 HZ1 LYS 51 -12.303 -6.426 -2.617 374 HZ2 LYS 51 HZ2 LYS 51 -10.947 -7.341 -2.466 375 HZ3 LYS 51 HZ3 LYS 51 -12.400 -7.952 -2.010 376 H THR 52 H THR 52 -4.255 -8.011 -0.230 377 HA THR 52 HA THR 52 -2.774 -5.814 0.981 378 HB THR 52 HB THR 52 -2.099 -8.594 -0.008 379 HG1 THR 52 HG1 THR 52 -1.348 -8.648 2.212 380 HG21 THR 52 HG21 THR 52 -0.132 -7.456 -0.710 381 HG22 THR 52 HG22 THR 52 -0.151 -6.386 0.707 382 HG23 THR 52 HG23 THR 52 0.251 -8.102 0.897 383 H PHE 53 H PHE 53 -1.687 -4.235 -0.043 384 HA PHE 53 HA PHE 53 -0.949 -4.585 -2.892 385 HB2 PHE 53 HB2 PHE 53 -1.091 -2.186 -1.035 386 HB3 PHE 53 HB3 PHE 53 -0.228 -2.119 -2.565 387 HD1 PHE 53 HD1 PHE 53 -1.530 -2.373 -4.731 388 HD2 PHE 53 HD2 PHE 53 -3.480 -2.176 -0.889 389 HE1 PHE 53 HE1 PHE 53 -3.698 -1.924 -5.852 390 HE2 PHE 53 HE2 PHE 53 -5.648 -1.731 -2.017 391 HZ PHE 53 HZ PHE 53 -5.760 -1.607 -4.498 392 H THR 54 H THR 54 0.902 -5.694 -3.133 393 HA THR 54 HA THR 54 3.145 -5.478 -1.249 394 HB THR 54 HB THR 54 2.776 -7.109 -3.796 395 HG1 THR 54 HG1 THR 54 2.758 -8.795 -2.091 396 HG21 THR 54 HG21 THR 54 4.709 -8.460 -2.665 397 HG22 THR 54 HG22 THR 54 5.104 -6.991 -3.577 398 HG23 THR 54 HG23 THR 54 5.040 -6.943 -1.807 399 H VAL 55 H VAL 55 4.825 -4.194 -1.501 400 HA VAL 55 HA VAL 55 5.399 -2.967 -4.141 401 HB VAL 55 HB VAL 55 5.430 -1.710 -1.378 402 HG11 VAL 55 HG11 VAL 55 7.572 -1.072 -2.385 403 HG12 VAL 55 HG12 VAL 55 6.745 -0.582 -3.874 404 HG13 VAL 55 HG13 VAL 55 6.464 0.318 -2.377 405 HG21 VAL 55 HG21 VAL 55 3.299 -1.530 -2.512 406 HG22 VAL 55 HG22 VAL 55 4.087 0.057 -2.457 407 HG23 VAL 55 HG23 VAL 55 4.078 -0.867 -3.967 408 H THR 56 H THR 56 7.269 -3.731 -4.935 409 HA THR 56 HA THR 56 9.597 -4.084 -3.112 410 HB THR 56 HB THR 56 9.020 -5.415 -5.791 411 HG1 THR 56 HG1 THR 56 8.854 -7.244 -4.573 412 HG21 THR 56 HG21 THR 56 11.118 -6.751 -5.217 413 HG22 THR 56 HG22 THR 56 11.384 -5.072 -5.721 414 HG23 THR 56 HG23 THR 56 11.471 -5.506 -4.005 415 H GLU 57 H GLU 57 10.967 -2.444 -3.219 416 HA GLU 57 HA GLU 57 11.281 -0.533 -5.330 417 HB2 GLU 57 HB2 GLU 57 11.652 -0.120 -2.896 418 HB3 GLU 57 HB3 GLU 57 12.994 -1.266 -2.905 419 HG2 GLU 57 HG2 GLU 57 14.146 0.241 -4.601 420 HG3 GLU 57 HG3 GLU 57 12.822 1.388 -4.398 Start of MODEL 20 1 H1 MET 1 H MET 1 -16.660 0.040 0.591 2 HA MET 1 HA MET 1 -16.704 -1.742 -1.136 3 HB2 MET 1 HB2 MET 1 -14.937 -0.653 -2.505 4 HB3 MET 1 HB3 MET 1 -13.728 -1.081 -1.289 5 HG2 MET 1 HG2 MET 1 -13.815 -2.605 -3.305 6 HG3 MET 1 HG3 MET 1 -14.004 -3.437 -1.748 7 HE1 MET 1 HE1 MET 1 -17.323 -2.535 -4.834 8 HE2 MET 1 HE2 MET 1 -15.959 -1.485 -4.401 9 HE3 MET 1 HE3 MET 1 -15.673 -2.957 -5.353 10 H GLY 2 H GLY 2 -13.557 -1.616 0.688 11 HA2 GLY 2 HA2 GLY 2 -14.734 -2.998 2.971 12 HA3 GLY 2 HA3 GLY 2 -13.648 -3.997 2.026 13 H THR 3 H THR 3 -11.730 -4.139 2.977 14 HA THR 3 HA THR 3 -10.434 -1.755 4.192 15 HB THR 3 HB THR 3 -11.080 -2.938 6.118 16 HG1 THR 3 HG1 THR 3 -8.708 -2.686 5.734 17 HG21 THR 3 HG21 THR 3 -10.323 -5.559 4.756 18 HG22 THR 3 HG22 THR 3 -10.948 -5.367 6.407 19 HG23 THR 3 HG23 THR 3 -11.974 -4.965 5.018 20 H TYR 4 H TYR 4 -8.312 -1.488 3.736 21 HA TYR 4 HA TYR 4 -7.145 -3.384 1.761 22 HB2 TYR 4 HB2 TYR 4 -6.801 -0.375 2.085 23 HB3 TYR 4 HB3 TYR 4 -5.898 -1.362 0.944 24 HD1 TYR 4 HD1 TYR 4 -7.458 -2.854 -0.685 25 HD2 TYR 4 HD2 TYR 4 -8.738 0.686 1.417 26 HE1 TYR 4 HE1 TYR 4 -9.346 -2.596 -2.281 27 HE2 TYR 4 HE2 TYR 4 -10.638 0.945 -0.176 28 HH TYR 4 HH TYR 4 -11.367 0.258 -2.376 29 H LYS 5 H LYS 5 -5.490 -4.574 2.513 30 HA LYS 5 HA LYS 5 -3.704 -3.511 4.583 31 HB2 LYS 5 HB2 LYS 5 -4.523 -6.086 3.706 32 HB3 LYS 5 HB3 LYS 5 -2.786 -6.005 3.390 33 HG2 LYS 5 HG2 LYS 5 -2.637 -5.096 5.862 34 HG3 LYS 5 HG3 LYS 5 -4.299 -5.685 6.013 35 HD2 LYS 5 HD2 LYS 5 -3.529 -7.955 5.311 36 HD3 LYS 5 HD3 LYS 5 -1.857 -7.341 5.239 37 HE2 LYS 5 HE2 LYS 5 -1.867 -6.821 7.609 38 HE3 LYS 5 HE3 LYS 5 -3.604 -7.134 7.733 39 HZ1 LYS 5 HZ1 LYS 5 -2.177 -8.977 8.547 40 HZ2 LYS 5 HZ2 LYS 5 -3.209 -9.449 7.360 41 HZ3 LYS 5 HZ3 LYS 5 -1.620 -9.217 7.018 42 H LEU 6 H LEU 6 -1.416 -3.251 4.447 43 HA LEU 6 HA LEU 6 -0.344 -2.646 1.764 44 HB2 LEU 6 HB2 LEU 6 -1.427 -0.720 3.582 45 HB3 LEU 6 HB3 LEU 6 0.325 -0.547 3.662 46 HG LEU 6 HG LEU 6 -1.054 -0.585 0.968 47 HD11 LEU 6 HD11 LEU 6 -2.257 1.259 1.612 48 HD12 LEU 6 HD12 LEU 6 -1.227 1.562 3.028 49 HD13 LEU 6 HD13 LEU 6 -0.704 2.101 1.429 50 HD21 LEU 6 HD21 LEU 6 1.402 0.927 1.913 51 HD22 LEU 6 HD22 LEU 6 1.473 -0.735 1.302 52 HD23 LEU 6 HD23 LEU 6 0.906 0.574 0.244 53 H ILE 7 H ILE 7 1.859 -3.018 1.608 54 HA ILE 7 HA ILE 7 3.567 -2.923 3.959 55 HB ILE 7 HB ILE 7 2.933 -5.215 4.136 56 HG12 ILE 7 HG12 ILE 7 5.605 -5.274 2.691 57 HG13 ILE 7 HG13 ILE 7 5.379 -4.629 4.322 58 HG21 ILE 7 HG21 ILE 7 2.006 -5.422 1.769 59 HG22 ILE 7 HG22 ILE 7 3.667 -5.742 1.231 60 HG23 ILE 7 HG23 ILE 7 2.887 -6.841 2.365 61 HD11 ILE 7 HD11 ILE 7 4.552 -6.850 5.086 62 HD12 ILE 7 HD12 ILE 7 4.804 -7.482 3.453 63 HD13 ILE 7 HD13 ILE 7 6.197 -6.940 4.408 64 H LEU 8 H LEU 8 5.553 -2.082 3.411 65 HA LEU 8 HA LEU 8 6.267 -1.888 0.543 66 HB2 LEU 8 HB2 LEU 8 7.377 -0.390 2.962 67 HB3 LEU 8 HB3 LEU 8 7.739 -0.058 1.272 68 HG LEU 8 HG LEU 8 6.214 1.636 1.930 69 HD11 LEU 8 HD11 LEU 8 4.441 -0.499 0.651 70 HD12 LEU 8 HD12 LEU 8 4.178 1.257 0.627 71 HD13 LEU 8 HD13 LEU 8 5.547 0.563 -0.246 72 HD21 LEU 8 HD21 LEU 8 5.490 -0.044 3.944 73 HD22 LEU 8 HD22 LEU 8 4.607 1.433 3.524 74 HD23 LEU 8 HD23 LEU 8 4.041 -0.138 2.919 75 H ASN 9 H ASN 9 8.334 -2.579 -0.160 76 HA ASN 9 HA ASN 9 10.157 -3.821 1.818 77 HB2 ASN 9 HB2 ASN 9 9.302 -4.970 -0.878 78 HB3 ASN 9 HB3 ASN 9 10.717 -5.527 0.007 79 HD21 ASN 9 HD21 ASN 9 6.950 -6.655 1.127 80 HD22 ASN 9 HD22 ASN 9 7.173 -5.394 -0.080 81 H GLY 10 H GLY 10 11.587 -2.060 1.862 82 HA2 GLY 10 HA2 GLY 10 12.940 -1.367 -0.705 83 HA3 GLY 10 HA3 GLY 10 12.849 -0.318 0.696 84 H LYS 11 H LYS 11 15.264 -0.535 -0.184 85 HA LYS 11 HA LYS 11 16.798 -2.812 0.439 86 HB2 LYS 11 HB2 LYS 11 17.557 -1.080 -1.104 87 HB3 LYS 11 HB3 LYS 11 17.627 0.115 0.197 88 HG2 LYS 11 HG2 LYS 11 19.431 -1.299 1.290 89 HG3 LYS 11 HG3 LYS 11 19.321 -2.421 -0.075 90 HD2 LYS 11 HD2 LYS 11 19.905 -0.508 -1.611 91 HD3 LYS 11 HD3 LYS 11 20.162 0.506 -0.168 92 HE2 LYS 11 HE2 LYS 11 22.330 -0.294 -0.598 93 HE3 LYS 11 HE3 LYS 11 21.739 -1.414 0.635 94 HZ1 LYS 11 HZ1 LYS 11 21.301 -3.036 -1.034 95 HZ2 LYS 11 HZ2 LYS 11 21.571 -1.985 -2.266 96 HZ3 LYS 11 HZ3 LYS 11 22.824 -2.484 -1.327 97 H THR 12 H THR 12 16.570 0.142 2.494 98 HA THR 12 HA THR 12 17.287 -1.505 4.867 99 HB THR 12 HB THR 12 19.176 -0.082 4.494 100 HG1 THR 12 HG1 THR 12 17.341 0.698 6.441 101 HG21 THR 12 HG21 THR 12 18.888 2.442 4.326 102 HG22 THR 12 HG22 THR 12 18.393 1.519 2.893 103 HG23 THR 12 HG23 THR 12 17.168 2.143 4.013 104 H LEU 13 H LEU 13 14.659 -0.895 3.636 105 HA LEU 13 HA LEU 13 13.378 0.700 5.762 106 HB2 LEU 13 HB2 LEU 13 13.350 1.261 2.767 107 HB3 LEU 13 HB3 LEU 13 12.101 1.875 3.846 108 HG LEU 13 HG LEU 13 15.005 2.484 4.433 109 HD11 LEU 13 HD11 LEU 13 14.671 3.146 2.051 110 HD12 LEU 13 HD12 LEU 13 13.235 4.078 2.525 111 HD13 LEU 13 HD13 LEU 13 14.830 4.570 3.102 112 HD21 LEU 13 HD21 LEU 13 13.945 4.544 5.386 113 HD22 LEU 13 HD22 LEU 13 12.358 3.884 4.962 114 HD23 LEU 13 HD23 LEU 13 13.378 3.043 6.150 115 H LYS 14 H LYS 14 11.425 -0.118 6.340 116 HA LYS 14 HA LYS 14 9.897 -1.888 4.566 117 HB2 LYS 14 HB2 LYS 14 11.912 -2.961 6.275 118 HB3 LYS 14 HB3 LYS 14 10.363 -3.400 7.002 119 HG2 LYS 14 HG2 LYS 14 9.674 -4.306 4.707 120 HG3 LYS 14 HG3 LYS 14 11.311 -3.933 4.141 121 HD2 LYS 14 HD2 LYS 14 12.291 -5.514 5.673 122 HD3 LYS 14 HD3 LYS 14 10.744 -5.730 6.532 123 HE2 LYS 14 HE2 LYS 14 9.730 -6.640 4.437 124 HE3 LYS 14 HE3 LYS 14 11.285 -6.460 3.612 125 HZ1 LYS 14 HZ1 LYS 14 10.839 -8.179 5.989 126 HZ2 LYS 14 HZ2 LYS 14 10.907 -8.726 4.441 127 HZ3 LYS 14 HZ3 LYS 14 12.239 -8.058 5.134 128 H GLY 15 H GLY 15 8.054 -3.058 6.016 129 HA2 GLY 15 HA2 GLY 15 6.927 -2.456 8.288 130 HA3 GLY 15 HA3 GLY 15 6.711 -0.887 7.537 131 H GLU 16 H GLU 16 4.654 -2.694 8.474 132 HA GLU 16 HA GLU 16 3.052 -3.048 6.018 133 HB2 GLU 16 HB2 GLU 16 2.190 -5.166 6.903 134 HB3 GLU 16 HB3 GLU 16 3.932 -5.271 6.627 135 HG2 GLU 16 HG2 GLU 16 4.291 -4.898 9.092 136 HG3 GLU 16 HG3 GLU 16 2.533 -4.873 9.310 137 H THR 17 H THR 17 0.750 -2.820 6.450 138 HA THR 17 HA THR 17 -0.306 -1.992 8.989 139 HB THR 17 HB THR 17 0.996 0.069 8.352 140 HG1 THR 17 HG1 THR 17 -0.616 1.303 9.030 141 HG21 THR 17 HG21 THR 17 0.829 0.031 5.918 142 HG22 THR 17 HG22 THR 17 -0.941 0.133 6.008 143 HG23 THR 17 HG23 THR 17 0.055 1.502 6.539 144 H THR 18 H THR 18 -2.566 -0.862 8.476 145 HA THR 18 HA THR 18 -3.931 -2.045 6.165 146 HB THR 18 HB THR 18 -3.921 -3.855 7.908 147 HG1 THR 18 HG1 THR 18 -5.989 -4.293 7.513 148 HG21 THR 18 HG21 THR 18 -5.332 -3.579 9.924 149 HG22 THR 18 HG22 THR 18 -3.939 -2.479 9.948 150 HG23 THR 18 HG23 THR 18 -5.549 -1.863 9.532 151 H THR 19 H THR 19 -6.159 -1.242 5.977 152 HA THR 19 HA THR 19 -6.635 1.394 7.182 153 HB THR 19 HB THR 19 -6.625 2.522 4.978 154 HG1 THR 19 HG1 THR 19 -5.502 0.066 4.105 155 HG21 THR 19 HG21 THR 19 -3.882 1.278 5.195 156 HG22 THR 19 HG22 THR 19 -4.344 2.959 4.859 157 HG23 THR 19 HG23 THR 19 -4.496 2.309 6.501 158 H GLU 20 H GLU 20 -8.714 2.245 6.650 159 HA GLU 20 HA GLU 20 -10.588 0.448 5.213 160 HB2 GLU 20 HB2 GLU 20 -10.826 1.913 7.839 161 HB3 GLU 20 HB3 GLU 20 -12.273 1.656 6.858 162 HG2 GLU 20 HG2 GLU 20 -11.808 -0.817 6.914 163 HG3 GLU 20 HG3 GLU 20 -10.409 -0.497 7.952 164 H ALA 21 H ALA 21 -12.047 1.525 3.820 165 HA ALA 21 HA ALA 21 -11.992 4.431 3.531 166 HB1 ALA 21 HB1 ALA 21 -10.884 2.540 1.404 167 HB2 ALA 21 HB2 ALA 21 -11.337 4.228 1.084 168 HB3 ALA 21 HB3 ALA 21 -10.025 3.866 2.218 169 H VAL 22 H VAL 22 -13.844 5.201 2.593 170 HA VAL 22 HA VAL 22 -16.118 3.450 2.381 171 HB VAL 22 HB VAL 22 -17.372 5.547 1.889 172 HG11 VAL 22 HG11 VAL 22 -15.515 5.772 4.293 173 HG12 VAL 22 HG12 VAL 22 -16.997 6.708 4.039 174 HG13 VAL 22 HG13 VAL 22 -17.092 4.952 4.240 175 HG21 VAL 22 HG21 VAL 22 -14.621 6.717 1.664 176 HG22 VAL 22 HG22 VAL 22 -16.063 6.990 0.672 177 HG23 VAL 22 HG23 VAL 22 -15.950 7.730 2.275 178 H ASP 23 H ASP 23 -14.029 5.225 0.105 179 HA ASP 23 HA ASP 23 -15.193 3.760 -2.193 180 HB2 ASP 23 HB2 ASP 23 -15.732 6.367 -1.821 181 HB3 ASP 23 HB3 ASP 23 -14.129 6.545 -2.535 182 H ALA 24 H ALA 24 -13.610 3.572 -4.005 183 HA ALA 24 HA ALA 24 -11.056 2.633 -3.132 184 HB1 ALA 24 HB1 ALA 24 -10.729 2.450 -5.691 185 HB2 ALA 24 HB2 ALA 24 -12.087 1.539 -5.001 186 HB3 ALA 24 HB3 ALA 24 -12.387 3.072 -5.835 187 H ALA 25 H ALA 25 -12.216 5.696 -4.469 188 HA ALA 25 HA ALA 25 -9.724 6.870 -5.185 189 HB1 ALA 25 HB1 ALA 25 -12.312 8.210 -4.262 190 HB2 ALA 25 HB2 ALA 25 -11.026 8.947 -5.242 191 HB3 ALA 25 HB3 ALA 25 -12.009 7.637 -5.919 192 H THR 26 H THR 26 -11.660 6.988 -2.154 193 HA THR 26 HA THR 26 -10.060 8.529 -0.487 194 HB THR 26 HB THR 26 -11.471 5.942 0.281 195 HG1 THR 26 HG1 THR 26 -12.575 8.530 0.400 196 HG21 THR 26 HG21 THR 26 -10.234 6.705 2.176 197 HG22 THR 26 HG22 THR 26 -10.646 8.400 1.853 198 HG23 THR 26 HG23 THR 26 -11.895 7.275 2.420 199 H ALA 27 H ALA 27 -9.852 4.963 -0.900 200 HA ALA 27 HA ALA 27 -7.517 4.502 0.579 201 HB1 ALA 27 HB1 ALA 27 -8.147 2.903 -1.905 202 HB2 ALA 27 HB2 ALA 27 -7.676 2.336 -0.288 203 HB3 ALA 27 HB3 ALA 27 -9.325 2.916 -0.573 204 H GLU 28 H GLU 28 -7.820 4.986 -2.995 205 HA GLU 28 HA GLU 28 -5.177 4.490 -3.711 206 HB2 GLU 28 HB2 GLU 28 -7.156 4.604 -5.215 207 HB3 GLU 28 HB3 GLU 28 -7.215 6.358 -5.006 208 HG2 GLU 28 HG2 GLU 28 -4.860 6.444 -5.988 209 HG3 GLU 28 HG3 GLU 28 -5.015 4.714 -6.330 210 H LYS 29 H LYS 29 -6.755 7.539 -2.686 211 HA LYS 29 HA LYS 29 -4.489 9.203 -3.160 212 HB2 LYS 29 HB2 LYS 29 -7.088 9.480 -1.653 213 HB3 LYS 29 HB3 LYS 29 -5.852 10.729 -1.452 214 HG2 LYS 29 HG2 LYS 29 -5.908 11.211 -3.858 215 HG3 LYS 29 HG3 LYS 29 -6.877 9.760 -4.166 216 HD2 LYS 29 HD2 LYS 29 -8.796 10.708 -3.057 217 HD3 LYS 29 HD3 LYS 29 -7.831 12.064 -2.419 218 HE2 LYS 29 HE2 LYS 29 -7.392 12.847 -4.732 219 HE3 LYS 29 HE3 LYS 29 -8.321 11.490 -5.382 220 HZ1 LYS 29 HZ1 LYS 29 -9.522 13.468 -3.539 221 HZ2 LYS 29 HZ2 LYS 29 -9.532 13.678 -5.168 222 HZ3 LYS 29 HZ3 LYS 29 -10.302 12.388 -4.505 223 H VAL 30 H VAL 30 -5.345 7.366 -0.252 224 HA VAL 30 HA VAL 30 -3.198 8.279 1.389 225 HB VAL 30 HB VAL 30 -5.136 5.998 1.423 226 HG11 VAL 30 HG11 VAL 30 -2.599 5.934 3.108 227 HG12 VAL 30 HG12 VAL 30 -4.038 4.934 3.370 228 HG13 VAL 30 HG13 VAL 30 -3.097 4.745 1.884 229 HG21 VAL 30 HG21 VAL 30 -5.765 6.822 3.540 230 HG22 VAL 30 HG22 VAL 30 -4.265 7.748 3.724 231 HG23 VAL 30 HG23 VAL 30 -5.484 8.275 2.553 232 H PHE 31 H PHE 31 -3.487 5.790 -1.146 233 HA PHE 31 HA PHE 31 -1.373 4.116 -0.369 234 HB2 PHE 31 HB2 PHE 31 -2.700 4.660 -3.052 235 HB3 PHE 31 HB3 PHE 31 -1.475 3.417 -2.840 236 HD1 PHE 31 HD1 PHE 31 -2.893 3.224 0.239 237 HD2 PHE 31 HD2 PHE 31 -4.047 2.618 -3.871 238 HE1 PHE 31 HE1 PHE 31 -4.719 1.711 0.974 239 HE2 PHE 31 HE2 PHE 31 -5.875 1.107 -3.131 240 HZ PHE 31 HZ PHE 31 -6.213 0.654 -0.710 241 H LYS 32 H LYS 32 -1.373 6.912 -2.603 242 HA LYS 32 HA LYS 32 1.457 6.625 -3.177 243 HB2 LYS 32 HB2 LYS 32 -0.712 8.591 -3.950 244 HB3 LYS 32 HB3 LYS 32 0.977 8.947 -4.333 245 HG2 LYS 32 HG2 LYS 32 1.117 6.850 -5.652 246 HG3 LYS 32 HG3 LYS 32 -0.504 6.384 -5.110 247 HD2 LYS 32 HD2 LYS 32 -1.408 8.452 -6.233 248 HD3 LYS 32 HD3 LYS 32 0.226 8.758 -6.875 249 HE2 LYS 32 HE2 LYS 32 0.223 6.593 -8.033 250 HE3 LYS 32 HE3 LYS 32 -1.334 6.167 -7.310 251 HZ1 LYS 32 HZ1 LYS 32 -1.602 6.977 -9.572 252 HZ2 LYS 32 HZ2 LYS 32 -2.336 8.011 -8.527 253 HZ3 LYS 32 HZ3 LYS 32 -0.891 8.413 -9.197 254 H GLN 33 H GLN 33 -0.239 8.261 -0.633 255 HA GLN 33 HA GLN 33 1.914 10.125 -0.010 256 HB2 GLN 33 HB2 GLN 33 -0.485 10.648 0.372 257 HB3 GLN 33 HB3 GLN 33 -0.610 9.288 1.496 258 HG2 GLN 33 HG2 GLN 33 1.426 10.609 2.685 259 HG3 GLN 33 HG3 GLN 33 0.662 11.980 1.871 260 HE21 GLN 33 HE21 GLN 33 -1.672 10.055 4.642 261 HE22 GLN 33 HE22 GLN 33 -0.682 9.045 3.585 262 H TYR 34 H TYR 34 0.528 7.084 1.409 263 HA TYR 34 HA TYR 34 1.978 7.261 3.826 264 HB2 TYR 34 HB2 TYR 34 0.049 5.952 3.907 265 HB3 TYR 34 HB3 TYR 34 0.401 5.137 2.391 266 HD1 TYR 34 HD1 TYR 34 1.462 2.991 2.414 267 HD2 TYR 34 HD2 TYR 34 1.517 5.449 5.955 268 HE1 TYR 34 HE1 TYR 34 2.466 1.114 3.692 269 HE2 TYR 34 HE2 TYR 34 2.535 3.569 7.242 270 HH TYR 34 HH TYR 34 3.714 1.505 6.954 271 H ALA 35 H ALA 35 2.817 5.693 0.740 272 HA ALA 35 HA ALA 35 4.992 4.118 1.891 273 HB1 ALA 35 HB1 ALA 35 4.297 4.436 -1.053 274 HB2 ALA 35 HB2 ALA 35 5.040 3.044 -0.235 275 HB3 ALA 35 HB3 ALA 35 3.325 3.408 0.024 276 H ASN 36 H ASN 36 4.585 6.950 -0.256 277 HA ASN 36 HA ASN 36 7.314 7.459 -0.826 278 HB2 ASN 36 HB2 ASN 36 5.161 8.423 -1.913 279 HB3 ASN 36 HB3 ASN 36 5.124 9.553 -0.565 280 HD21 ASN 36 HD21 ASN 36 7.908 9.955 -3.559 281 HD22 ASN 36 HD22 ASN 36 7.054 8.428 -3.366 282 H ASP 37 H ASP 37 5.344 8.087 2.049 283 HA ASP 37 HA ASP 37 7.168 9.838 3.425 284 HB2 ASP 37 HB2 ASP 37 4.705 9.708 3.842 285 HB3 ASP 37 HB3 ASP 37 4.910 8.063 4.439 286 H ASN 38 H ASN 38 6.722 6.316 3.131 287 HA ASN 38 HA ASN 38 8.810 5.592 4.996 288 HB2 ASN 38 HB2 ASN 38 6.729 4.237 3.937 289 HB3 ASN 38 HB3 ASN 38 7.950 3.788 2.751 290 HD21 ASN 38 HD21 ASN 38 7.790 1.351 5.653 291 HD22 ASN 38 HD22 ASN 38 6.546 2.030 4.608 292 H GLY 39 H GLY 39 8.663 6.535 1.578 293 HA2 GLY 39 HA2 GLY 39 10.438 7.037 0.146 294 HA3 GLY 39 HA3 GLY 39 11.574 6.330 1.275 295 H VAL 40 H VAL 40 9.393 5.745 -1.380 296 HA VAL 40 HA VAL 40 10.523 3.050 -1.854 297 HB VAL 40 HB VAL 40 8.336 2.219 -2.558 298 HG11 VAL 40 HG11 VAL 40 7.092 2.250 -0.356 299 HG12 VAL 40 HG12 VAL 40 8.792 1.762 -0.252 300 HG13 VAL 40 HG13 VAL 40 8.315 3.391 0.245 301 HG21 VAL 40 HG21 VAL 40 7.372 5.017 -1.981 302 HG22 VAL 40 HG22 VAL 40 7.150 4.026 -3.432 303 HG23 VAL 40 HG23 VAL 40 6.256 3.631 -1.956 304 H ASP 41 H ASP 41 10.780 2.507 -4.065 305 HA ASP 41 HA ASP 41 9.855 4.295 -6.190 306 HB2 ASP 41 HB2 ASP 41 12.135 5.124 -5.446 307 HB3 ASP 41 HB3 ASP 41 12.793 3.553 -5.897 308 H GLY 42 H GLY 42 8.625 1.989 -5.779 309 HA2 GLY 42 HA2 GLY 42 10.027 -0.155 -7.314 310 HA3 GLY 42 HA3 GLY 42 9.032 -0.461 -5.905 311 H GLU 43 H GLU 43 7.291 -1.560 -6.600 312 HA GLU 43 HA GLU 43 5.512 -0.566 -8.675 313 HB2 GLU 43 HB2 GLU 43 5.694 -2.524 -10.084 314 HB3 GLU 43 HB3 GLU 43 7.288 -1.771 -9.959 315 HG2 GLU 43 HG2 GLU 43 7.954 -3.498 -8.290 316 HG3 GLU 43 HG3 GLU 43 6.339 -4.217 -8.396 317 H TRP 44 H TRP 44 3.423 -1.507 -8.435 318 HA TRP 44 HA TRP 44 3.060 -2.812 -5.788 319 HB2 TRP 44 HB2 TRP 44 1.364 -0.798 -7.306 320 HB3 TRP 44 HB3 TRP 44 0.805 -1.643 -5.867 321 HD1 TRP 44 HD1 TRP 44 4.110 0.240 -6.671 322 HE1 TRP 44 HE1 TRP 44 4.553 1.979 -4.838 323 HE3 TRP 44 HE3 TRP 44 -0.035 -0.564 -3.775 324 HZ2 TRP 44 HZ2 TRP 44 3.239 2.953 -2.455 325 HZ3 TRP 44 HZ3 TRP 44 -0.425 0.801 -1.742 326 HH2 TRP 44 HH2 TRP 44 1.199 2.556 -1.073 327 H THR 45 H THR 45 2.009 -4.698 -5.636 328 HA THR 45 HA THR 45 0.325 -5.671 -7.887 329 HB THR 45 HB THR 45 1.056 -7.998 -6.847 330 HG1 THR 45 HG1 THR 45 3.418 -6.507 -6.459 331 HG21 THR 45 HG21 THR 45 3.026 -6.502 -8.621 332 HG22 THR 45 HG22 THR 45 2.769 -8.255 -8.520 333 HG23 THR 45 HG23 THR 45 1.505 -7.211 -9.196 334 H TYR 46 H TYR 46 -1.553 -6.782 -7.319 335 HA TYR 46 HA TYR 46 -2.489 -6.139 -4.565 336 HB2 TYR 46 HB2 TYR 46 -3.480 -4.643 -6.192 337 HB3 TYR 46 HB3 TYR 46 -3.898 -5.982 -7.253 338 HD1 TYR 46 HD1 TYR 46 -4.524 -4.690 -3.761 339 HD2 TYR 46 HD2 TYR 46 -6.066 -6.863 -7.149 340 HE1 TYR 46 HE1 TYR 46 -6.759 -4.771 -2.682 341 HE2 TYR 46 HE2 TYR 46 -8.315 -6.939 -6.075 342 HH TYR 46 HH TYR 46 -9.571 -6.344 -4.277 343 H ASP 47 H ASP 47 -3.423 -7.704 -3.369 344 HA ASP 47 HA ASP 47 -4.232 -10.284 -4.594 345 HB2 ASP 47 HB2 ASP 47 -2.606 -9.658 -2.127 346 HB3 ASP 47 HB3 ASP 47 -3.612 -11.103 -2.168 347 H ASP 48 H ASP 48 -6.411 -10.440 -4.511 348 HA ASP 48 HA ASP 48 -8.043 -8.565 -3.059 349 HB2 ASP 48 HB2 ASP 48 -8.511 -9.289 -5.381 350 HB3 ASP 48 HB3 ASP 48 -8.717 -10.950 -4.828 351 H ALA 49 H ALA 49 -6.721 -11.683 -2.363 352 HA ALA 49 HA ALA 49 -8.547 -12.977 -0.741 353 HB1 ALA 49 HB1 ALA 49 -6.519 -13.878 0.417 354 HB2 ALA 49 HB2 ALA 49 -6.330 -13.879 -1.351 355 HB3 ALA 49 HB3 ALA 49 -5.531 -12.631 -0.378 356 H THR 50 H THR 50 -6.182 -10.472 0.338 357 HA THR 50 HA THR 50 -8.069 -9.611 2.463 358 HB THR 50 HB THR 50 -6.460 -10.637 3.804 359 HG1 THR 50 HG1 THR 50 -5.955 -7.950 3.319 360 HG21 THR 50 HG21 THR 50 -4.547 -10.023 1.576 361 HG22 THR 50 HG22 THR 50 -3.903 -10.115 3.226 362 HG23 THR 50 HG23 THR 50 -4.759 -11.503 2.529 363 H LYS 51 H LYS 51 -7.644 -8.721 -0.293 364 HA LYS 51 HA LYS 51 -6.978 -6.918 -1.564 365 HB2 LYS 51 HB2 LYS 51 -8.068 -5.301 0.775 366 HB3 LYS 51 HB3 LYS 51 -8.116 -4.884 -0.942 367 HG2 LYS 51 HG2 LYS 51 -9.502 -7.189 -1.087 368 HG3 LYS 51 HG3 LYS 51 -9.750 -6.880 0.640 369 HD2 LYS 51 HD2 LYS 51 -10.675 -4.641 0.103 370 HD3 LYS 51 HD3 LYS 51 -10.420 -4.957 -1.631 371 HE2 LYS 51 HE2 LYS 51 -12.025 -6.874 0.094 372 HE3 LYS 51 HE3 LYS 51 -12.788 -5.429 -0.582 373 HZ1 LYS 51 HZ1 LYS 51 -11.441 -7.555 -2.155 374 HZ2 LYS 51 HZ2 LYS 51 -13.065 -7.325 -2.048 375 HZ3 LYS 51 HZ3 LYS 51 -12.126 -6.201 -2.793 376 H THR 52 H THR 52 -4.668 -7.810 -0.691 377 HA THR 52 HA THR 52 -3.194 -5.769 0.856 378 HB THR 52 HB THR 52 -2.707 -8.668 0.132 379 HG1 THR 52 HG1 THR 52 -3.713 -7.536 2.165 380 HG21 THR 52 HG21 THR 52 -0.639 -6.610 0.932 381 HG22 THR 52 HG22 THR 52 -0.489 -8.301 1.452 382 HG23 THR 52 HG23 THR 52 -0.536 -7.905 -0.275 383 H PHE 53 H PHE 53 -2.113 -4.239 -0.176 384 HA PHE 53 HA PHE 53 -1.051 -4.663 -2.886 385 HB2 PHE 53 HB2 PHE 53 -1.360 -2.310 -1.013 386 HB3 PHE 53 HB3 PHE 53 -0.213 -2.218 -2.342 387 HD1 PHE 53 HD1 PHE 53 -1.139 -2.594 -4.750 388 HD2 PHE 53 HD2 PHE 53 -3.668 -1.977 -1.312 389 HE1 PHE 53 HE1 PHE 53 -3.037 -2.027 -6.245 390 HE2 PHE 53 HE2 PHE 53 -5.565 -1.414 -2.813 391 HZ PHE 53 HZ PHE 53 -5.252 -1.441 -5.280 392 H THR 54 H THR 54 0.915 -5.478 -3.235 393 HA THR 54 HA THR 54 2.982 -5.430 -1.096 394 HB THR 54 HB THR 54 3.942 -7.254 -2.813 395 HG1 THR 54 HG1 THR 54 2.441 -7.486 -4.283 396 HG21 THR 54 HG21 THR 54 1.727 -7.887 -0.817 397 HG22 THR 54 HG22 THR 54 2.908 -9.036 -1.477 398 HG23 THR 54 HG23 THR 54 3.450 -7.704 -0.437 399 H VAL 55 H VAL 55 4.748 -4.282 -1.393 400 HA VAL 55 HA VAL 55 5.425 -3.246 -4.090 401 HB VAL 55 HB VAL 55 5.712 -1.944 -1.357 402 HG11 VAL 55 HG11 VAL 55 7.801 -1.513 -2.611 403 HG12 VAL 55 HG12 VAL 55 6.848 -0.911 -3.980 404 HG13 VAL 55 HG13 VAL 55 6.826 -0.036 -2.442 405 HG21 VAL 55 HG21 VAL 55 4.094 -1.272 -3.818 406 HG22 VAL 55 HG22 VAL 55 3.548 -1.513 -2.149 407 HG23 VAL 55 HG23 VAL 55 4.462 -0.056 -2.571 408 H THR 56 H THR 56 7.499 -3.562 -4.830 409 HA THR 56 HA THR 56 9.674 -4.198 -2.947 410 HB THR 56 HB THR 56 9.104 -5.816 -5.466 411 HG1 THR 56 HG1 THR 56 7.856 -6.578 -3.835 412 HG21 THR 56 HG21 THR 56 11.496 -5.627 -5.255 413 HG22 THR 56 HG22 THR 56 11.419 -5.903 -3.503 414 HG23 THR 56 HG23 THR 56 11.035 -7.220 -4.625 415 H GLU 57 H GLU 57 11.393 -2.967 -3.333 416 HA GLU 57 HA GLU 57 11.475 -0.888 -5.270 417 HB2 GLU 57 HB2 GLU 57 12.352 -0.715 -2.975 418 HB3 GLU 57 HB3 GLU 57 13.503 -2.017 -3.281 419 HG2 GLU 57 HG2 GLU 57 14.454 -0.468 -5.149 420 HG3 GLU 57 HG3 GLU 57 13.478 0.804 -4.411
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