NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12513 | 1t1p | 1344 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -7.649 8.764 0.098 2 2H GLY 1 HT2 GLY 1 -8.805 8.366 -1.083 3 3H GLY 1 HT3 GLY 1 -7.320 9.051 -1.542 4 1HA GLY 1 HA1 GLY 1 -7.481 6.433 -0.269 5 2HA GLY 1 HA2 GLY 1 -7.472 6.611 -2.049 6 H ILE 2 H ILE 2 -5.687 5.010 -1.393 7 HA ILE 2 HA ILE 2 -3.663 5.944 0.584 8 HB ILE 2 HB ILE 2 -4.292 3.767 1.176 9 1HG1 ILE 2 HG12 ILE 2 -1.747 4.141 0.467 10 2HG1 ILE 2 HG11 ILE 2 -2.325 2.563 0.997 11 1HG2 ILE 2 HG21 ILE 2 -4.566 3.358 -1.786 12 2HG2 ILE 2 HG22 ILE 2 -5.742 3.060 -0.505 13 3HG2 ILE 2 HG23 ILE 2 -4.379 1.962 -0.724 14 1HD1 ILE 2 HD11 ILE 2 -2.424 1.727 -1.203 15 2HD1 ILE 2 HD12 ILE 2 -0.934 2.670 -1.185 16 3HD1 ILE 2 HD13 ILE 2 -2.393 3.339 -1.917 17 H VAL 3 H VAL 3 -4.274 5.799 -2.738 18 HA VAL 3 HA VAL 3 -1.775 5.153 -3.882 19 HB VAL 3 HB VAL 3 -3.846 7.212 -4.697 20 1HG1 VAL 3 HG11 VAL 3 -1.478 7.654 -5.563 21 2HG1 VAL 3 HG12 VAL 3 -2.722 7.442 -6.794 22 3HG1 VAL 3 HG13 VAL 3 -1.615 6.121 -6.422 23 1HG2 VAL 3 HG21 VAL 3 -4.891 5.497 -5.738 24 2HG2 VAL 3 HG22 VAL 3 -3.894 4.439 -4.739 25 3HG2 VAL 3 HG23 VAL 3 -3.376 4.859 -6.372 26 H GLU 4 H GLU 4 -2.831 8.537 -3.691 27 HA GLU 4 HA GLU 4 -0.315 9.705 -3.768 28 1HB GLU 4 HB2 GLU 4 -1.907 11.358 -3.837 29 2HB GLU 4 HB1 GLU 4 -2.976 10.514 -2.723 30 1HG GLU 4 HG2 GLU 4 -1.421 11.169 -0.849 31 2HG GLU 4 HG1 GLU 4 -0.522 12.149 -2.007 32 H GLN 5 H GLN 5 -1.982 8.322 -0.965 33 HA GLN 5 HA GLN 5 -0.322 9.188 1.113 34 1HB GLN 5 HB2 GLN 5 -2.366 7.676 1.289 35 2HB GLN 5 HB1 GLN 5 -1.303 6.336 0.857 36 1HG GLN 5 HG2 GLN 5 -0.303 6.312 2.899 37 2HG GLN 5 HG1 GLN 5 -0.249 8.071 2.993 38 1HE2 GLN 5 HE21 GLN 5 -1.438 5.661 4.761 39 2HE2 GLN 5 HE22 GLN 5 -2.928 6.308 5.253 40 H CYS 6 H CYS 6 0.277 6.626 -1.271 41 HA CYS 6 HA CYS 6 2.981 6.243 -0.079 42 1HB CYS 6 HB2 CYS 6 1.341 4.580 -1.999 43 2HB CYS 6 HB1 CYS 6 3.060 4.300 -1.747 44 H CYS 7 H CYS 7 1.318 7.455 -2.929 45 HA CYS 7 HA CYS 7 3.800 7.528 -4.468 46 1HB CYS 7 HB2 CYS 7 1.690 7.259 -5.677 47 2HB CYS 7 HB1 CYS 7 1.100 8.792 -5.045 48 H THR 8 H THR 8 1.641 10.358 -4.027 49 HA THR 8 HA THR 8 3.607 12.327 -4.121 50 HB THR 8 HB THR 8 1.322 12.373 -2.122 51 HG1 THR 8 HG1 THR 8 0.259 12.051 -3.940 52 1HG2 THR 8 HG21 THR 8 2.291 14.736 -3.673 53 2HG2 THR 8 HG22 THR 8 3.277 14.169 -2.325 54 3HG2 THR 8 HG23 THR 8 1.607 14.664 -2.050 55 H SER 9 H SER 9 2.353 10.959 -1.068 56 HA SER 9 HA SER 9 4.903 11.616 0.276 57 1HB SER 9 HB2 SER 9 2.185 10.746 1.118 58 2HB SER 9 HB1 SER 9 3.516 10.100 2.073 59 HG SER 9 HG SER 9 3.141 12.013 3.001 60 H ILE 10 H ILE 10 5.935 9.598 1.474 61 HA ILE 10 HA ILE 10 5.695 7.300 -0.430 62 HB ILE 10 HB ILE 10 8.101 8.275 1.135 63 1HG1 ILE 10 HG12 ILE 10 9.096 8.516 -1.088 64 2HG1 ILE 10 HG11 ILE 10 7.645 7.855 -1.839 65 1HG2 ILE 10 HG21 ILE 10 9.074 6.296 -0.371 66 2HG2 ILE 10 HG22 ILE 10 7.439 5.673 -0.166 67 3HG2 ILE 10 HG23 ILE 10 8.443 5.993 1.247 68 1HD1 ILE 10 HD11 ILE 10 6.450 9.796 -1.559 69 2HD1 ILE 10 HD12 ILE 10 8.065 10.500 -1.614 70 3HD1 ILE 10 HD13 ILE 10 7.279 10.217 -0.061 71 H CYS 11 H CYS 11 5.785 5.151 0.481 72 HA CYS 11 HA CYS 11 5.433 5.087 3.453 73 1HB CYS 11 HB2 CYS 11 3.576 3.515 3.237 74 2HB CYS 11 HB1 CYS 11 3.201 5.002 2.367 75 H SER 12 H SER 12 5.586 2.761 4.280 76 HA SER 12 HA SER 12 7.896 1.485 2.925 77 1HB SER 12 HB2 SER 12 7.526 0.076 5.238 78 2HB SER 12 HB1 SER 12 8.541 1.509 5.105 79 HG SER 12 HG SER 12 6.349 1.175 6.550 80 H LEU 13 H LEU 13 7.862 -1.036 3.218 81 HA LEU 13 HA LEU 13 5.649 -2.037 1.663 82 1HB LEU 13 HB2 LEU 13 8.137 -3.129 2.851 83 2HB LEU 13 HB1 LEU 13 6.835 -4.292 2.598 84 HG LEU 13 HG LEU 13 8.486 -3.916 0.646 85 1HD1 LEU 13 HD11 LEU 13 5.820 -4.632 0.761 86 2HD1 LEU 13 HD12 LEU 13 6.853 -4.787 -0.660 87 3HD1 LEU 13 HD13 LEU 13 5.826 -3.366 -0.467 88 1HD2 LEU 13 HD21 LEU 13 8.506 -1.914 -0.454 89 2HD2 LEU 13 HD22 LEU 13 7.913 -1.280 1.078 90 3HD2 LEU 13 HD23 LEU 13 6.778 -1.656 -0.219 91 H TYR 14 H TYR 14 6.291 -1.806 5.086 92 HA TYR 14 HA TYR 14 4.472 -3.854 5.938 93 1HB TYR 14 HB2 TYR 14 6.243 -2.626 7.351 94 2HB TYR 14 HB1 TYR 14 5.073 -1.316 7.477 95 HD1 TYR 14 HD1 TYR 14 5.232 -5.054 7.880 96 HD2 TYR 14 HD2 TYR 14 3.594 -1.333 9.280 97 HE1 TYR 14 HE1 TYR 14 4.091 -6.249 9.737 98 HE2 TYR 14 HE2 TYR 14 2.451 -2.532 11.134 99 HH TYR 14 HH TYR 14 2.486 -6.057 11.330 100 H GLN 15 H GLN 15 4.073 -0.524 4.924 101 HA GLN 15 HA GLN 15 1.319 -0.351 5.861 102 1HB GLN 15 HB2 GLN 15 2.850 1.375 3.887 103 2HB GLN 15 HB1 GLN 15 1.285 1.775 4.589 104 1HG GLN 15 HG2 GLN 15 2.464 1.454 6.877 105 2HG GLN 15 HG1 GLN 15 3.962 1.598 5.956 106 1HE2 GLN 15 HE21 GLN 15 3.266 3.588 7.873 107 2HE2 GLN 15 HE22 GLN 15 2.902 5.030 7.054 108 H LEU 16 H LEU 16 2.900 -0.776 2.675 109 HA LEU 16 HA LEU 16 0.493 -1.017 1.169 110 1HB LEU 16 HB2 LEU 16 3.301 -1.549 0.746 111 2HB LEU 16 HB1 LEU 16 2.342 -2.882 0.107 112 HG LEU 16 HG LEU 16 2.688 -1.070 -1.569 113 1HD1 LEU 16 HD11 LEU 16 0.341 -2.425 -0.915 114 2HD1 LEU 16 HD12 LEU 16 0.663 -1.583 -2.430 115 3HD1 LEU 16 HD13 LEU 16 -0.179 -0.752 -1.122 116 1HD2 LEU 16 HD21 LEU 16 2.515 1.075 -0.905 117 2HD2 LEU 16 HD22 LEU 16 1.985 0.551 0.693 118 3HD2 LEU 16 HD23 LEU 16 0.799 0.826 -0.585 119 H GLU 17 H GLU 17 1.882 -3.000 3.590 120 HA GLU 17 HA GLU 17 0.652 -5.515 2.774 121 1HB GLU 17 HB2 GLU 17 1.960 -4.512 5.304 122 2HB GLU 17 HB1 GLU 17 1.076 -6.036 5.304 123 1HG GLU 17 HG2 GLU 17 2.773 -6.010 3.005 124 2HG GLU 17 HG1 GLU 17 3.744 -5.544 4.403 125 H ASN 18 H ASN 18 -0.084 -2.871 5.012 126 HA ASN 18 HA ASN 18 -2.526 -3.972 6.023 127 1HB ASN 18 HB2 ASN 18 -2.046 -1.018 5.733 128 2HB ASN 18 HB1 ASN 18 -2.807 -1.894 7.055 129 1HD2 ASN 18 HD21 ASN 18 -0.511 -3.940 6.979 130 2HD2 ASN 18 HD22 ASN 18 0.769 -3.151 7.764 131 H TYR 19 H TYR 19 -1.621 -2.497 3.048 132 HA TYR 19 HA TYR 19 -4.457 -1.956 2.335 133 1HB TYR 19 HB2 TYR 19 -1.967 -1.328 0.727 134 2HB TYR 19 HB1 TYR 19 -3.593 -0.692 0.472 135 HD1 TYR 19 HD1 TYR 19 -0.609 0.455 1.424 136 HD2 TYR 19 HD2 TYR 19 -4.523 -0.012 3.131 137 HE1 TYR 19 HE1 TYR 19 -0.137 2.304 3.009 138 HE2 TYR 19 HE2 TYR 19 -4.054 1.837 4.716 139 HH TYR 19 HH TYR 19 -2.371 3.961 4.608 140 H CYS 20 H CYS 20 -2.749 -4.612 2.452 141 HA CYS 20 HA CYS 20 -2.950 -5.550 -0.319 142 1HB CYS 20 HB2 CYS 20 -1.944 -6.597 2.262 143 2HB CYS 20 HB1 CYS 20 -2.572 -7.803 1.163 144 H ASN 21 H ASN 21 -4.069 -8.146 0.139 145 HA ASN 21 HA ASN 21 -6.840 -7.594 -0.116 146 1HB ASN 21 HB2 ASN 21 -5.972 -9.702 -0.913 147 2HB ASN 21 HB1 ASN 21 -5.402 -10.136 0.698 148 1HD2 ASN 21 HD21 ASN 21 -8.531 -9.010 -0.725 149 2HD2 ASN 21 HD22 ASN 21 -9.478 -10.159 0.090 150 1H PHE 1 HT1 PHE 1 10.170 -3.046 -0.638 151 2H PHE 1 HT2 PHE 1 11.705 -2.973 0.086 152 3H PHE 1 HT3 PHE 1 11.522 -3.666 -1.454 153 HA PHE 1 HA PHE 1 12.399 -1.574 -1.901 154 1HB PHE 1 HB2 PHE 1 9.635 -0.592 -2.126 155 2HB PHE 1 HB1 PHE 1 10.826 -0.887 -3.389 156 HD1 PHE 1 HD1 PHE 1 7.715 -1.940 -2.142 157 HD2 PHE 1 HD2 PHE 1 11.397 -3.503 -3.716 158 HE1 PHE 1 HE1 PHE 1 6.561 -4.044 -2.758 159 HE2 PHE 1 HE2 PHE 1 10.241 -5.607 -4.332 160 HZ PHE 1 HZ PHE 1 7.822 -5.878 -3.855 161 H VAL 2 H VAL 2 13.293 -0.084 -0.575 162 HA VAL 2 HA VAL 2 11.813 0.910 1.767 163 HB VAL 2 HB VAL 2 13.896 1.896 2.436 164 1HG1 VAL 2 HG11 VAL 2 13.950 -0.460 2.780 165 2HG1 VAL 2 HG12 VAL 2 15.497 -0.068 2.030 166 3HG1 VAL 2 HG13 VAL 2 14.203 -0.780 1.065 167 1HG2 VAL 2 HG21 VAL 2 14.553 1.586 -0.487 168 2HG2 VAL 2 HG22 VAL 2 15.853 1.667 0.703 169 3HG2 VAL 2 HG23 VAL 2 14.721 3.010 0.540 170 H ASN 3 H ASN 3 11.037 3.008 2.013 171 HA ASN 3 HA ASN 3 10.017 4.977 1.167 172 1HB ASN 3 HB2 ASN 3 12.929 5.240 0.370 173 2HB ASN 3 HB1 ASN 3 11.771 6.568 0.285 174 1HD2 ASN 3 HD21 ASN 3 11.582 7.799 2.165 175 2HD2 ASN 3 HD22 ASN 3 12.061 7.292 3.712 176 H GLN 4 H GLN 4 8.615 4.141 -0.462 177 HA GLN 4 HA GLN 4 9.717 4.457 -3.220 178 1HB GLN 4 HB2 GLN 4 8.999 2.043 -2.192 179 2HB GLN 4 HB1 GLN 4 7.458 2.568 -2.870 180 1HG GLN 4 HG2 GLN 4 8.610 1.372 -4.612 181 2HG GLN 4 HG1 GLN 4 8.700 3.084 -5.026 182 1HE2 GLN 4 HE21 GLN 4 10.690 2.272 -6.306 183 2HE2 GLN 4 HE22 GLN 4 12.167 2.183 -5.475 184 H HIS 5 H HIS 5 8.408 5.465 -4.691 185 HA HIS 5 HA HIS 5 5.961 6.797 -3.624 186 1HB HIS 5 HB2 HIS 5 7.331 7.495 -6.223 187 2HB HIS 5 HB1 HIS 5 6.383 8.541 -5.172 188 HD2 HIS 5 HD2 HIS 5 9.969 6.857 -5.134 189 HE1 HIS 5 HE1 HIS 5 9.932 10.165 -2.500 190 HE2 HIS 5 HE2 HIS 5 11.393 8.357 -3.554 191 H LEU 6 H LEU 6 4.303 5.330 -4.051 192 HA LEU 6 HA LEU 6 4.206 4.168 -6.801 193 1HB LEU 6 HB2 LEU 6 3.196 3.205 -4.153 194 2HB LEU 6 HB1 LEU 6 2.563 2.576 -5.671 195 HG LEU 6 HG LEU 6 4.576 1.549 -6.239 196 1HD1 LEU 6 HD11 LEU 6 6.043 3.462 -6.172 197 2HD1 LEU 6 HD12 LEU 6 6.767 2.220 -5.152 198 3HD1 LEU 6 HD13 LEU 6 5.907 3.574 -4.417 199 1HD2 LEU 6 HD21 LEU 6 3.627 1.111 -3.690 200 2HD2 LEU 6 HD22 LEU 6 5.338 1.423 -3.401 201 3HD2 LEU 6 HD23 LEU 6 4.850 0.125 -4.491 202 H CYS 7 H CYS 7 2.723 4.990 -8.128 203 HA CYS 7 HA CYS 7 0.094 5.691 -6.971 204 1HB CYS 7 HB2 CYS 7 0.397 7.494 -9.098 205 2HB CYS 7 HB1 CYS 7 0.379 7.892 -7.385 206 H GLY 8 H GLY 8 -1.642 5.586 -8.601 207 1HA GLY 8 HA2 GLY 8 -2.725 4.324 -10.265 208 2HA GLY 8 HA1 GLY 8 -1.440 4.955 -11.293 209 H SER 9 H SER 9 -0.823 3.204 -12.480 210 HA SER 9 HA SER 9 -0.907 0.499 -11.762 211 1HB SER 9 HB2 SER 9 0.143 0.132 -13.751 212 2HB SER 9 HB1 SER 9 -0.151 1.852 -13.990 213 HG SER 9 HG SER 9 2.193 0.549 -13.083 214 H ASP 10 H ASP 10 1.925 2.689 -11.465 215 HA ASP 10 HA ASP 10 3.828 0.970 -10.439 216 1HB ASP 10 HB2 ASP 10 3.177 3.822 -10.000 217 2HB ASP 10 HB1 ASP 10 4.152 3.083 -8.730 218 H LEU 11 H LEU 11 1.047 2.307 -8.685 219 HA LEU 11 HA LEU 11 1.800 1.004 -6.195 220 1HB LEU 11 HB2 LEU 11 0.297 3.088 -6.489 221 2HB LEU 11 HB1 LEU 11 -0.976 1.945 -6.908 222 HG LEU 11 HG LEU 11 -0.613 0.776 -4.739 223 1HD1 LEU 11 HD11 LEU 11 1.288 3.081 -4.238 224 2HD1 LEU 11 HD12 LEU 11 1.746 1.385 -4.405 225 3HD1 LEU 11 HD13 LEU 11 0.775 1.904 -3.029 226 1HD2 LEU 11 HD21 LEU 11 -1.014 3.255 -3.482 227 2HD2 LEU 11 HD22 LEU 11 -2.259 2.169 -4.099 228 3HD2 LEU 11 HD23 LEU 11 -1.627 3.459 -5.122 229 H THR 12 H THR 12 -0.680 0.383 -8.708 230 HA THR 12 HA THR 12 -1.707 -2.019 -7.622 231 HB THR 12 HB THR 12 -1.244 -1.279 -10.526 232 HG1 THR 12 HG1 THR 12 -3.738 -1.207 -10.032 233 1HG2 THR 12 HG21 THR 12 -2.824 -3.530 -9.264 234 2HG2 THR 12 HG22 THR 12 -1.487 -3.671 -10.405 235 3HG2 THR 12 HG23 THR 12 -3.034 -3.014 -10.937 236 H GLU 13 H GLU 13 1.074 -1.498 -9.788 237 HA GLU 13 HA GLU 13 1.906 -4.134 -10.166 238 1HB GLU 13 HB2 GLU 13 2.995 -1.615 -10.601 239 2HB GLU 13 HB1 GLU 13 4.144 -2.364 -9.495 240 1HG GLU 13 HG2 GLU 13 3.844 -4.446 -11.106 241 2HG GLU 13 HG1 GLU 13 3.352 -3.205 -12.259 242 H ALA 14 H ALA 14 3.368 -2.057 -7.632 243 HA ALA 14 HA ALA 14 4.467 -4.163 -6.111 244 1HB ALA 14 HB1 ALA 14 3.317 -1.562 -5.042 245 2HB ALA 14 HB2 ALA 14 4.936 -1.742 -5.717 246 3HB ALA 14 HB3 ALA 14 4.501 -2.586 -4.231 247 H LEU 15 H LEU 15 1.355 -2.486 -5.591 248 HA LEU 15 HA LEU 15 0.247 -4.000 -3.529 249 1HB LEU 15 HB2 LEU 15 -0.814 -2.608 -5.939 250 2HB LEU 15 HB1 LEU 15 -1.907 -3.749 -5.178 251 HG LEU 15 HG LEU 15 -0.542 -1.400 -3.833 252 1HD1 LEU 15 HD11 LEU 15 -3.055 -0.815 -3.524 253 2HD1 LEU 15 HD12 LEU 15 -3.325 -1.970 -4.828 254 3HD1 LEU 15 HD13 LEU 15 -2.322 -0.545 -5.104 255 1HD2 LEU 15 HD21 LEU 15 -0.766 -3.188 -2.206 256 2HD2 LEU 15 HD22 LEU 15 -2.410 -3.531 -2.745 257 3HD2 LEU 15 HD23 LEU 15 -2.054 -2.023 -1.905 258 H TYR 16 H TYR 16 0.008 -4.715 -6.993 259 HA TYR 16 HA TYR 16 -1.221 -7.238 -6.844 260 1HB TYR 16 HB2 TYR 16 -0.347 -5.662 -8.848 261 2HB TYR 16 HB1 TYR 16 0.940 -6.857 -8.852 262 HD1 TYR 16 HD1 TYR 16 -2.529 -6.171 -9.621 263 HD2 TYR 16 HD2 TYR 16 0.385 -9.287 -9.136 264 HE1 TYR 16 HE1 TYR 16 -4.019 -7.743 -10.830 265 HE2 TYR 16 HE2 TYR 16 -1.103 -10.866 -10.343 266 HH TYR 16 HH TYR 16 -3.051 -11.141 -11.369 267 H LEU 17 H LEU 17 2.149 -6.337 -6.301 268 HA LEU 17 HA LEU 17 2.912 -9.184 -6.165 269 1HB LEU 17 HB2 LEU 17 4.368 -7.592 -7.350 270 2HB LEU 17 HB1 LEU 17 4.607 -6.698 -5.846 271 HG LEU 17 HG LEU 17 5.744 -8.509 -4.813 272 1HD1 LEU 17 HD11 LEU 17 5.960 -10.687 -6.347 273 2HD1 LEU 17 HD12 LEU 17 4.409 -10.109 -6.954 274 3HD1 LEU 17 HD13 LEU 17 4.605 -10.472 -5.239 275 1HD2 LEU 17 HD21 LEU 17 7.051 -7.298 -6.591 276 2HD2 LEU 17 HD22 LEU 17 6.619 -8.585 -7.718 277 3HD2 LEU 17 HD23 LEU 17 7.615 -8.945 -6.308 278 H VAL 18 H VAL 18 3.136 -6.310 -3.978 279 HA VAL 18 HA VAL 18 4.160 -7.449 -1.693 280 HB VAL 18 HB VAL 18 1.983 -6.174 -0.575 281 1HG1 VAL 18 HG11 VAL 18 3.514 -4.562 0.003 282 2HG1 VAL 18 HG12 VAL 18 4.215 -4.496 -1.613 283 3HG1 VAL 18 HG13 VAL 18 4.617 -5.830 -0.532 284 1HG2 VAL 18 HG21 VAL 18 2.652 -4.446 -2.916 285 2HG2 VAL 18 HG22 VAL 18 1.183 -4.495 -1.943 286 3HG2 VAL 18 HG23 VAL 18 1.477 -5.738 -3.157 287 H CYS 19 H CYS 19 0.833 -7.760 -2.786 288 HA CYS 19 HA CYS 19 0.409 -9.901 -0.755 289 1HB CYS 19 HB2 CYS 19 -1.816 -9.295 -2.581 290 2HB CYS 19 HB1 CYS 19 -1.793 -9.373 -0.831 291 H GLY 20 H GLY 20 -0.533 -9.427 -4.152 292 1HA GLY 20 HA2 GLY 20 -0.372 -10.874 -6.000 293 2HA GLY 20 HA1 GLY 20 0.860 -11.768 -5.106 294 H GLU 21 H GLU 21 0.267 -13.844 -4.783 295 HA GLU 21 HA GLU 21 -2.262 -14.958 -5.206 296 1HB GLU 21 HB2 GLU 21 -0.199 -15.850 -3.163 297 2HB GLU 21 HB1 GLU 21 -1.503 -16.848 -3.810 298 1HG GLU 21 HG2 GLU 21 -0.570 -16.812 -6.008 299 2HG GLU 21 HG1 GLU 21 0.560 -15.525 -5.582 300 H ARG 22 H ARG 22 -1.105 -13.086 -2.526 301 HA ARG 22 HA ARG 22 -3.278 -13.865 -0.731 302 1HB ARG 22 HB2 ARG 22 -1.328 -11.560 -0.507 303 2HB ARG 22 HB1 ARG 22 -2.329 -12.216 0.790 304 1HG ARG 22 HG2 ARG 22 -0.457 -14.031 -0.705 305 2HG ARG 22 HG1 ARG 22 0.169 -12.995 0.578 306 1HD ARG 22 HD2 ARG 22 -0.401 -14.875 1.810 307 2HD ARG 22 HD1 ARG 22 -1.905 -13.960 1.918 308 HE ARG 22 HE ARG 22 -2.066 -15.582 -0.402 309 1HH1 ARG 22 HH21 ARG 22 -3.595 -15.381 2.414 310 2HH1 ARG 22 HH22 ARG 22 -3.682 -17.074 2.772 311 1HH2 ARG 22 HH11 ARG 22 -1.416 -17.986 0.317 312 2HH2 ARG 22 HH12 ARG 22 -2.451 -18.545 1.588 313 H GLY 23 H GLY 23 -3.424 -12.252 -3.495 314 1HA GLY 23 HA2 GLY 23 -4.898 -10.645 -4.368 315 2HA GLY 23 HA1 GLY 23 -5.894 -10.948 -2.942 316 H PHE 24 H PHE 24 -5.344 -8.329 -4.175 317 HA PHE 24 HA PHE 24 -4.075 -7.066 -1.776 318 1HB PHE 24 HB2 PHE 24 -2.913 -5.489 -3.169 319 2HB PHE 24 HB1 PHE 24 -2.494 -7.102 -3.715 320 HD1 PHE 24 HD1 PHE 24 -4.330 -4.019 -4.557 321 HD2 PHE 24 HD2 PHE 24 -3.288 -7.992 -5.825 322 HE1 PHE 24 HE1 PHE 24 -5.047 -3.473 -6.871 323 HE2 PHE 24 HE2 PHE 24 -4.010 -7.448 -8.133 324 HZ PHE 24 HZ PHE 24 -4.881 -5.188 -8.659 325 H PHE 25 H PHE 25 -4.425 -4.457 -2.328 326 HA PHE 25 HA PHE 25 -7.289 -4.116 -3.063 327 1HB PHE 25 HB2 PHE 25 -7.134 -4.389 -0.605 328 2HB PHE 25 HB1 PHE 25 -5.997 -3.043 -0.540 329 HD1 PHE 25 HD1 PHE 25 -9.443 -3.965 -1.616 330 HD2 PHE 25 HD2 PHE 25 -6.755 -0.823 -0.457 331 HE1 PHE 25 HE1 PHE 25 -11.335 -2.372 -1.560 332 HE2 PHE 25 HE2 PHE 25 -8.644 0.777 -0.400 333 HZ PHE 25 HZ PHE 25 -10.943 0.005 -0.952 334 H TYR 26 H TYR 26 -7.789 -1.992 -3.808 335 HA TYR 26 HA TYR 26 -5.586 -0.018 -3.979 336 1HB TYR 26 HB2 TYR 26 -5.336 -1.411 -5.994 337 2HB TYR 26 HB1 TYR 26 -7.026 -1.146 -6.391 338 HD1 TYR 26 HD1 TYR 26 -4.070 0.960 -5.431 339 HD2 TYR 26 HD2 TYR 26 -7.436 0.415 -8.040 340 HE1 TYR 26 HE1 TYR 26 -3.458 3.030 -6.654 341 HE2 TYR 26 HE2 TYR 26 -6.828 2.486 -9.266 342 HH TYR 26 HH TYR 26 -5.533 4.618 -8.740 343 H THR 27 H THR 27 -6.470 2.073 -4.979 344 HA THR 27 HA THR 27 -9.007 2.671 -3.657 345 HB THR 27 HB THR 27 -8.559 4.978 -4.333 346 HG1 THR 27 HG1 THR 27 -6.199 4.177 -5.590 347 1HG2 THR 27 HG21 THR 27 -7.258 4.824 -2.491 348 2HG2 THR 27 HG22 THR 27 -5.903 4.762 -3.617 349 3HG2 THR 27 HG23 THR 27 -6.596 3.268 -2.986 350 H LYS 28 H LYS 28 -7.903 3.256 -7.021 351 HA LYS 28 HA LYS 28 -9.216 3.485 -8.973 352 1HB LYS 28 HB2 LYS 28 -9.123 0.969 -8.495 353 2HB LYS 28 HB1 LYS 28 -10.743 1.141 -7.823 354 1HG LYS 28 HG2 LYS 28 -11.330 0.687 -9.999 355 2HG LYS 28 HG1 LYS 28 -11.123 2.432 -10.148 356 1HD LYS 28 HD2 LYS 28 -8.620 1.828 -10.635 357 2HD LYS 28 HD1 LYS 28 -9.266 0.233 -11.012 358 1HE LYS 28 HE2 LYS 28 -9.943 2.866 -12.331 359 2HE LYS 28 HE1 LYS 28 -9.266 1.420 -13.080 360 1HZ LYS 28 HZ1 LYS 28 -11.349 0.258 -12.507 361 2HZ LYS 28 HZ2 LYS 28 -11.589 1.550 -13.582 362 3HZ LYS 28 HZ3 LYS 28 -11.993 1.721 -11.941 363 HA PRO 29 HA PRO 29 -12.720 5.377 -6.557 364 1HB PRO 29 HB2 PRO 29 -11.981 7.993 -6.964 365 2HB PRO 29 HB1 PRO 29 -11.462 7.032 -5.567 366 1HG PRO 29 HG2 PRO 29 -9.899 7.833 -7.982 367 2HG PRO 29 HG1 PRO 29 -9.328 7.471 -6.345 368 1HD PRO 29 HD2 PRO 29 -9.177 5.728 -8.563 369 2HD PRO 29 HD1 PRO 29 -8.950 5.269 -6.861 370 H THR 30 H THR 30 -14.526 5.447 -7.830 371 HA THR 30 HA THR 30 -14.825 7.272 -10.026 372 HB THR 30 HB THR 30 -13.322 5.477 -11.033 373 HG1 THR 30 HG1 THR 30 -15.916 5.805 -12.130 374 1HG2 THR 30 HG21 THR 30 -14.800 3.688 -9.755 375 2HG2 THR 30 HG22 THR 30 -14.068 3.304 -11.312 376 3HG2 THR 30 HG23 THR 30 -15.767 3.766 -11.227 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -8.167 7.674 -3.341 2 2H GLY 1 HT2 GLY 1 -7.709 6.038 -3.313 3 3H GLY 1 HT3 GLY 1 -6.524 7.252 -3.408 4 1HA GLY 1 HA1 GLY 1 -7.383 7.961 -1.153 5 2HA GLY 1 HA2 GLY 1 -8.272 6.410 -1.081 6 H ILE 2 H ILE 2 -5.685 5.167 -1.545 7 HA ILE 2 HA ILE 2 -3.879 6.518 0.407 8 HB ILE 2 HB ILE 2 -4.318 4.416 1.291 9 1HG1 ILE 2 HG12 ILE 2 -1.796 4.835 0.543 10 2HG1 ILE 2 HG11 ILE 2 -2.281 3.323 1.292 11 1HG2 ILE 2 HG21 ILE 2 -4.461 3.505 -1.577 12 2HG2 ILE 2 HG22 ILE 2 -5.716 3.453 -0.339 13 3HG2 ILE 2 HG23 ILE 2 -4.345 2.346 -0.252 14 1HD1 ILE 2 HD11 ILE 2 -0.867 3.148 -0.841 15 2HD1 ILE 2 HD12 ILE 2 -2.300 3.703 -1.706 16 3HD1 ILE 2 HD13 ILE 2 -2.348 2.191 -0.800 17 H VAL 3 H VAL 3 -4.202 5.692 -2.895 18 HA VAL 3 HA VAL 3 -1.711 5.082 -3.861 19 HB VAL 3 HB VAL 3 -3.521 7.261 -4.933 20 1HG1 VAL 3 HG11 VAL 3 -0.933 6.849 -5.676 21 2HG1 VAL 3 HG12 VAL 3 -2.186 7.398 -6.787 22 3HG1 VAL 3 HG13 VAL 3 -1.751 5.691 -6.724 23 1HG2 VAL 3 HG21 VAL 3 -4.394 5.497 -6.376 24 2HG2 VAL 3 HG22 VAL 3 -4.544 4.992 -4.693 25 3HG2 VAL 3 HG23 VAL 3 -3.252 4.337 -5.698 26 H GLU 4 H GLU 4 -2.671 8.506 -3.460 27 HA GLU 4 HA GLU 4 -0.078 9.541 -3.764 28 1HB GLU 4 HB2 GLU 4 -2.643 10.495 -2.644 29 2HB GLU 4 HB1 GLU 4 -1.213 11.325 -2.039 30 1HG GLU 4 HG2 GLU 4 -0.497 11.507 -4.512 31 2HG GLU 4 HG1 GLU 4 -2.165 11.083 -4.890 32 H GLN 5 H GLN 5 -1.706 8.338 -0.844 33 HA GLN 5 HA GLN 5 0.086 9.195 1.126 34 1HB GLN 5 HB2 GLN 5 -1.947 7.910 1.643 35 2HB GLN 5 HB1 GLN 5 -1.232 6.479 0.908 36 1HG GLN 5 HG2 GLN 5 -0.150 5.981 2.814 37 2HG GLN 5 HG1 GLN 5 0.602 7.578 2.837 38 1HE2 GLN 5 HE21 GLN 5 -2.890 6.762 3.067 39 2HE2 GLN 5 HE22 GLN 5 -3.113 7.472 4.593 40 H CYS 6 H CYS 6 0.445 6.500 -1.157 41 HA CYS 6 HA CYS 6 3.160 6.003 -0.054 42 1HB CYS 6 HB2 CYS 6 1.405 4.395 -1.908 43 2HB CYS 6 HB1 CYS 6 3.094 4.002 -1.591 44 H CYS 7 H CYS 7 1.585 7.612 -2.624 45 HA CYS 7 HA CYS 7 4.022 7.461 -4.319 46 1HB CYS 7 HB2 CYS 7 1.886 7.183 -5.496 47 2HB CYS 7 HB1 CYS 7 1.318 8.729 -4.879 48 H THR 8 H THR 8 1.873 10.291 -3.997 49 HA THR 8 HA THR 8 3.878 12.240 -4.010 50 HB THR 8 HB THR 8 2.123 13.286 -2.150 51 HG1 THR 8 HG1 THR 8 1.049 11.127 -2.457 52 1HG2 THR 8 HG21 THR 8 0.863 13.641 -4.623 53 2HG2 THR 8 HG22 THR 8 2.560 13.374 -5.020 54 3HG2 THR 8 HG23 THR 8 2.106 14.676 -3.921 55 H SER 9 H SER 9 2.348 10.919 -1.077 56 HA SER 9 HA SER 9 4.790 11.559 0.475 57 1HB SER 9 HB2 SER 9 2.302 11.822 1.307 58 2HB SER 9 HB1 SER 9 2.383 10.079 1.543 59 HG SER 9 HG SER 9 3.859 12.140 2.773 60 H ILE 10 H ILE 10 6.120 9.784 1.271 61 HA ILE 10 HA ILE 10 5.601 7.285 -0.250 62 HB ILE 10 HB ILE 10 8.090 8.402 1.055 63 1HG1 ILE 10 HG12 ILE 10 8.950 8.035 -1.289 64 2HG1 ILE 10 HG11 ILE 10 7.315 7.579 -1.762 65 1HG2 ILE 10 HG21 ILE 10 8.587 5.985 -0.392 66 2HG2 ILE 10 HG22 ILE 10 7.364 5.658 0.828 67 3HG2 ILE 10 HG23 ILE 10 8.920 6.326 1.304 68 1HD1 ILE 10 HD11 ILE 10 6.717 9.735 -1.956 69 2HD1 ILE 10 HD12 ILE 10 8.395 10.180 -1.644 70 3HD1 ILE 10 HD13 ILE 10 7.252 10.069 -0.310 71 H CYS 11 H CYS 11 5.328 5.306 0.751 72 HA CYS 11 HA CYS 11 5.062 5.423 3.737 73 1HB CYS 11 HB2 CYS 11 3.304 3.736 3.551 74 2HB CYS 11 HB1 CYS 11 2.905 5.117 2.532 75 H SER 12 H SER 12 5.093 2.954 4.573 76 HA SER 12 HA SER 12 7.678 1.872 3.567 77 1HB SER 12 HB2 SER 12 7.533 0.518 5.742 78 2HB SER 12 HB1 SER 12 7.761 2.257 5.912 79 HG SER 12 HG SER 12 6.098 1.558 7.270 80 H LEU 13 H LEU 13 7.880 -0.527 3.469 81 HA LEU 13 HA LEU 13 5.881 -1.708 1.827 82 1HB LEU 13 HB2 LEU 13 8.346 -2.606 3.193 83 2HB LEU 13 HB1 LEU 13 7.168 -3.881 2.877 84 HG LEU 13 HG LEU 13 8.819 -3.505 1.003 85 1HD1 LEU 13 HD11 LEU 13 6.757 -4.597 0.461 86 2HD1 LEU 13 HD12 LEU 13 6.991 -3.355 -0.769 87 3HD1 LEU 13 HD13 LEU 13 5.855 -3.085 0.554 88 1HD2 LEU 13 HD21 LEU 13 9.054 -1.097 1.142 89 2HD2 LEU 13 HD22 LEU 13 7.324 -0.867 0.890 90 3HD2 LEU 13 HD23 LEU 13 8.333 -1.478 -0.422 91 H TYR 14 H TYR 14 6.233 -1.552 5.296 92 HA TYR 14 HA TYR 14 4.478 -3.725 5.960 93 1HB TYR 14 HB2 TYR 14 6.037 -2.606 7.574 94 2HB TYR 14 HB1 TYR 14 4.989 -1.188 7.544 95 HD1 TYR 14 HD1 TYR 14 4.480 -4.906 7.785 96 HD2 TYR 14 HD2 TYR 14 3.590 -1.022 9.399 97 HE1 TYR 14 HE1 TYR 14 3.024 -5.951 9.502 98 HE2 TYR 14 HE2 TYR 14 2.133 -2.071 11.115 99 HH TYR 14 HH TYR 14 0.809 -4.253 11.314 100 H GLN 15 H GLN 15 3.936 -0.346 5.116 101 HA GLN 15 HA GLN 15 1.150 -0.367 5.909 102 1HB GLN 15 HB2 GLN 15 2.639 1.484 4.024 103 2HB GLN 15 HB1 GLN 15 1.032 1.778 4.688 104 1HG GLN 15 HG2 GLN 15 2.203 1.409 6.999 105 2HG GLN 15 HG1 GLN 15 3.682 1.763 6.103 106 1HE2 GLN 15 HE21 GLN 15 0.368 3.122 6.565 107 2HE2 GLN 15 HE22 GLN 15 0.862 4.744 6.479 108 H LEU 16 H LEU 16 2.798 -0.536 2.734 109 HA LEU 16 HA LEU 16 0.464 -0.835 1.169 110 1HB LEU 16 HB2 LEU 16 3.289 -1.151 0.791 111 2HB LEU 16 HB1 LEU 16 2.476 -2.560 0.105 112 HG LEU 16 HG LEU 16 2.692 -0.627 -1.507 113 1HD1 LEU 16 HD11 LEU 16 0.166 -1.951 -0.673 114 2HD1 LEU 16 HD12 LEU 16 0.998 -1.991 -2.227 115 3HD1 LEU 16 HD13 LEU 16 0.011 -0.596 -1.789 116 1HD2 LEU 16 HD21 LEU 16 2.111 1.438 -0.823 117 2HD2 LEU 16 HD22 LEU 16 1.712 0.784 0.765 118 3HD2 LEU 16 HD23 LEU 16 0.473 0.882 -0.486 119 H GLU 17 H GLU 17 1.909 -2.932 3.470 120 HA GLU 17 HA GLU 17 0.790 -5.431 2.491 121 1HB GLU 17 HB2 GLU 17 1.977 -4.523 5.115 122 2HB GLU 17 HB1 GLU 17 1.219 -6.106 4.964 123 1HG GLU 17 HG2 GLU 17 3.427 -5.117 3.145 124 2HG GLU 17 HG1 GLU 17 3.702 -6.122 4.569 125 H ASN 18 H ASN 18 -0.313 -2.777 4.463 126 HA ASN 18 HA ASN 18 -2.544 -4.172 5.661 127 1HB ASN 18 HB2 ASN 18 -1.714 -1.291 5.370 128 2HB ASN 18 HB1 ASN 18 -3.283 -1.716 6.040 129 1HD2 ASN 18 HD21 ASN 18 -0.297 -3.629 6.476 130 2HD2 ASN 18 HD22 ASN 18 -0.197 -3.388 8.150 131 H TYR 19 H TYR 19 -1.974 -2.465 2.664 132 HA TYR 19 HA TYR 19 -4.850 -2.341 2.046 133 1HB TYR 19 HB2 TYR 19 -2.568 -1.736 0.160 134 2HB TYR 19 HB1 TYR 19 -4.217 -1.101 0.119 135 HD1 TYR 19 HD1 TYR 19 -1.113 0.049 0.651 136 HD2 TYR 19 HD2 TYR 19 -4.787 -0.352 2.841 137 HE1 TYR 19 HE1 TYR 19 -0.428 1.911 2.143 138 HE2 TYR 19 HE2 TYR 19 -4.104 1.506 4.336 139 HH TYR 19 HH TYR 19 -2.463 2.901 4.896 140 H CYS 20 H CYS 20 -2.710 -4.766 2.148 141 HA CYS 20 HA CYS 20 -3.283 -6.048 -0.424 142 1HB CYS 20 HB2 CYS 20 -1.815 -6.842 2.089 143 2HB CYS 20 HB1 CYS 20 -2.009 -7.935 0.750 144 H ASN 21 H ASN 21 -4.028 -8.532 -0.034 145 HA ASN 21 HA ASN 21 -6.715 -8.600 0.617 146 1HB ASN 21 HB2 ASN 21 -5.727 -10.550 -0.376 147 2HB ASN 21 HB1 ASN 21 -4.624 -10.761 0.985 148 1HD2 ASN 21 HD21 ASN 21 -7.487 -11.949 -0.278 149 2HD2 ASN 21 HD22 ASN 21 -8.185 -12.543 1.151 150 1H PHE 1 HT1 PHE 1 11.179 -1.286 0.632 151 2H PHE 1 HT2 PHE 1 11.853 -2.833 0.443 152 3H PHE 1 HT3 PHE 1 10.300 -2.501 -0.162 153 HA PHE 1 HA PHE 1 12.641 -2.377 -1.564 154 1HB PHE 1 HB2 PHE 1 9.923 -1.129 -2.064 155 2HB PHE 1 HB1 PHE 1 11.170 -1.304 -3.300 156 HD1 PHE 1 HD1 PHE 1 8.275 -2.777 -2.089 157 HD2 PHE 1 HD2 PHE 1 12.291 -3.816 -3.214 158 HE1 PHE 1 HE1 PHE 1 7.559 -5.118 -2.491 159 HE2 PHE 1 HE2 PHE 1 11.573 -6.157 -3.615 160 HZ PHE 1 HZ PHE 1 9.208 -6.808 -3.255 161 H VAL 2 H VAL 2 13.387 -0.422 -2.893 162 HA VAL 2 HA VAL 2 14.081 1.729 -1.027 163 HB VAL 2 HB VAL 2 15.354 2.615 -3.025 164 1HG1 VAL 2 HG11 VAL 2 16.084 0.730 -1.303 165 2HG1 VAL 2 HG12 VAL 2 17.095 1.117 -2.696 166 3HG1 VAL 2 HG13 VAL 2 16.031 -0.290 -2.742 167 1HG2 VAL 2 HG21 VAL 2 14.751 0.004 -4.374 168 2HG2 VAL 2 HG22 VAL 2 15.297 1.523 -5.082 169 3HG2 VAL 2 HG23 VAL 2 13.620 1.343 -4.564 170 H ASN 3 H ASN 3 13.482 3.934 -1.276 171 HA ASN 3 HA ASN 3 11.780 5.553 -1.580 172 1HB ASN 3 HB2 ASN 3 11.492 6.053 -4.068 173 2HB ASN 3 HB1 ASN 3 13.151 6.074 -3.468 174 1HD2 ASN 3 HD21 ASN 3 14.524 4.173 -3.972 175 2HD2 ASN 3 HD22 ASN 3 14.130 3.157 -5.273 176 H GLN 4 H GLN 4 9.887 4.640 -0.699 177 HA GLN 4 HA GLN 4 8.297 2.741 -2.264 178 1HB GLN 4 HB2 GLN 4 8.498 3.271 0.422 179 2HB GLN 4 HB1 GLN 4 7.001 4.100 0.009 180 1HG GLN 4 HG2 GLN 4 7.655 1.180 -0.412 181 2HG GLN 4 HG1 GLN 4 6.376 1.867 0.591 182 1HE2 GLN 4 HE21 GLN 4 5.255 3.775 -1.120 183 2HE2 GLN 4 HE22 GLN 4 4.610 3.013 -2.490 184 H HIS 5 H HIS 5 8.274 4.416 -4.099 185 HA HIS 5 HA HIS 5 6.097 6.430 -3.741 186 1HB HIS 5 HB2 HIS 5 8.531 6.247 -5.413 187 2HB HIS 5 HB1 HIS 5 7.106 6.805 -6.281 188 HD2 HIS 5 HD2 HIS 5 9.763 8.185 -3.911 189 HE1 HIS 5 HE1 HIS 5 6.664 11.055 -4.107 190 HE2 HIS 5 HE2 HIS 5 9.070 10.633 -3.368 191 H LEU 6 H LEU 6 4.217 5.160 -4.062 192 HA LEU 6 HA LEU 6 4.080 3.720 -6.688 193 1HB LEU 6 HB2 LEU 6 3.025 3.031 -3.987 194 2HB LEU 6 HB1 LEU 6 2.162 2.507 -5.417 195 HG LEU 6 HG LEU 6 3.832 1.035 -6.049 196 1HD1 LEU 6 HD11 LEU 6 5.642 2.608 -6.312 197 2HD1 LEU 6 HD12 LEU 6 6.223 1.308 -5.275 198 3HD1 LEU 6 HD13 LEU 6 5.751 2.851 -4.568 199 1HD2 LEU 6 HD21 LEU 6 4.923 0.161 -3.860 200 2HD2 LEU 6 HD22 LEU 6 3.165 0.124 -3.987 201 3HD2 LEU 6 HD23 LEU 6 3.954 1.401 -3.064 202 H CYS 7 H CYS 7 2.741 4.741 -8.071 203 HA CYS 7 HA CYS 7 0.201 5.802 -6.961 204 1HB CYS 7 HB2 CYS 7 0.902 7.402 -9.225 205 2HB CYS 7 HB1 CYS 7 0.631 7.925 -7.569 206 H GLY 8 H GLY 8 -1.526 5.865 -8.585 207 1HA GLY 8 HA2 GLY 8 -2.776 4.680 -10.191 208 2HA GLY 8 HA1 GLY 8 -1.445 5.140 -11.250 209 H SER 9 H SER 9 -1.087 3.301 -12.416 210 HA SER 9 HA SER 9 -1.428 0.635 -11.579 211 1HB SER 9 HB2 SER 9 0.052 0.031 -13.451 212 2HB SER 9 HB1 SER 9 -1.067 1.304 -13.932 213 HG SER 9 HG SER 9 0.996 1.874 -14.583 214 H ASP 10 H ASP 10 1.577 2.587 -11.521 215 HA ASP 10 HA ASP 10 3.413 0.757 -10.574 216 1HB ASP 10 HB2 ASP 10 3.019 3.546 -9.444 217 2HB ASP 10 HB1 ASP 10 4.505 2.600 -9.369 218 H LEU 11 H LEU 11 0.779 2.248 -8.742 219 HA LEU 11 HA LEU 11 1.576 1.073 -6.210 220 1HB LEU 11 HB2 LEU 11 0.125 3.117 -6.445 221 2HB LEU 11 HB1 LEU 11 -1.156 2.074 -7.057 222 HG LEU 11 HG LEU 11 -1.201 0.833 -4.945 223 1HD1 LEU 11 HD11 LEU 11 0.919 2.793 -4.021 224 2HD1 LEU 11 HD12 LEU 11 1.224 1.097 -4.396 225 3HD1 LEU 11 HD13 LEU 11 0.170 1.527 -3.049 226 1HD2 LEU 11 HD21 LEU 11 -2.679 2.498 -4.546 227 2HD2 LEU 11 HD22 LEU 11 -1.567 3.739 -5.125 228 3HD2 LEU 11 HD23 LEU 11 -1.426 3.127 -3.476 229 H THR 12 H THR 12 -0.771 0.219 -8.751 230 HA THR 12 HA THR 12 -1.756 -2.132 -7.411 231 HB THR 12 HB THR 12 -1.541 -1.601 -10.395 232 HG1 THR 12 HG1 THR 12 -3.960 -1.253 -9.698 233 1HG2 THR 12 HG21 THR 12 -3.548 -3.188 -10.393 234 2HG2 THR 12 HG22 THR 12 -3.098 -3.593 -8.737 235 3HG2 THR 12 HG23 THR 12 -1.980 -3.923 -10.060 236 H GLU 13 H GLU 13 0.786 -1.615 -9.858 237 HA GLU 13 HA GLU 13 1.695 -4.242 -10.180 238 1HB GLU 13 HB2 GLU 13 2.705 -1.600 -10.657 239 2HB GLU 13 HB1 GLU 13 3.997 -2.574 -9.959 240 1HG GLU 13 HG2 GLU 13 3.690 -4.291 -11.655 241 2HG GLU 13 HG1 GLU 13 2.285 -3.445 -12.305 242 H ALA 14 H ALA 14 2.921 -1.874 -7.789 243 HA ALA 14 HA ALA 14 4.500 -3.754 -6.333 244 1HB ALA 14 HB1 ALA 14 3.122 -1.252 -5.299 245 2HB ALA 14 HB2 ALA 14 4.705 -1.286 -6.075 246 3HB ALA 14 HB3 ALA 14 4.467 -2.089 -4.523 247 H LEU 15 H LEU 15 1.268 -2.418 -5.562 248 HA LEU 15 HA LEU 15 0.599 -4.016 -3.369 249 1HB LEU 15 HB2 LEU 15 -0.942 -2.767 -5.596 250 2HB LEU 15 HB1 LEU 15 -1.773 -4.011 -4.666 251 HG LEU 15 HG LEU 15 -0.378 -1.613 -3.447 252 1HD1 LEU 15 HD11 LEU 15 -2.267 -0.410 -3.722 253 2HD1 LEU 15 HD12 LEU 15 -3.277 -1.750 -3.177 254 3HD1 LEU 15 HD13 LEU 15 -2.781 -1.651 -4.867 255 1HD2 LEU 15 HD21 LEU 15 -2.166 -3.798 -2.337 256 2HD2 LEU 15 HD22 LEU 15 -1.773 -2.324 -1.452 257 3HD2 LEU 15 HD23 LEU 15 -0.495 -3.458 -1.889 258 H TYR 16 H TYR 16 -0.131 -4.773 -6.768 259 HA TYR 16 HA TYR 16 -1.108 -7.342 -6.578 260 1HB TYR 16 HB2 TYR 16 -0.269 -5.772 -8.626 261 2HB TYR 16 HB1 TYR 16 0.994 -6.997 -8.636 262 HD1 TYR 16 HD1 TYR 16 -2.211 -6.184 -9.808 263 HD2 TYR 16 HD2 TYR 16 0.100 -9.497 -8.353 264 HE1 TYR 16 HE1 TYR 16 -3.775 -7.754 -10.915 265 HE2 TYR 16 HE2 TYR 16 -1.462 -11.074 -9.458 266 HH TYR 16 HH TYR 16 -4.428 -10.370 -10.398 267 H LEU 17 H LEU 17 2.286 -6.352 -6.316 268 HA LEU 17 HA LEU 17 3.164 -9.141 -6.092 269 1HB LEU 17 HB2 LEU 17 4.408 -6.942 -7.021 270 2HB LEU 17 HB1 LEU 17 4.986 -6.912 -5.354 271 HG LEU 17 HG LEU 17 5.191 -9.257 -7.268 272 1HD1 LEU 17 HD11 LEU 17 7.390 -8.681 -7.611 273 2HD1 LEU 17 HD12 LEU 17 7.556 -7.948 -6.016 274 3HD1 LEU 17 HD13 LEU 17 6.746 -7.067 -7.311 275 1HD2 LEU 17 HD21 LEU 17 5.104 -10.367 -5.256 276 2HD2 LEU 17 HD22 LEU 17 5.594 -8.947 -4.334 277 3HD2 LEU 17 HD23 LEU 17 6.803 -9.895 -5.202 278 H VAL 18 H VAL 18 3.510 -6.284 -3.931 279 HA VAL 18 HA VAL 18 4.404 -7.517 -1.633 280 HB VAL 18 HB VAL 18 2.458 -5.912 -0.528 281 1HG1 VAL 18 HG11 VAL 18 5.093 -5.939 -0.509 282 2HG1 VAL 18 HG12 VAL 18 4.204 -4.482 -0.062 283 3HG1 VAL 18 HG13 VAL 18 4.897 -4.632 -1.678 284 1HG2 VAL 18 HG21 VAL 18 3.291 -4.406 -2.981 285 2HG2 VAL 18 HG22 VAL 18 1.907 -4.136 -1.923 286 3HG2 VAL 18 HG23 VAL 18 1.893 -5.473 -3.073 287 H CYS 19 H CYS 19 1.215 -7.714 -3.003 288 HA CYS 19 HA CYS 19 0.404 -9.510 -0.761 289 1HB CYS 19 HB2 CYS 19 -1.667 -8.652 -2.677 290 2HB CYS 19 HB1 CYS 19 -1.702 -8.674 -0.923 291 H GLY 20 H GLY 20 -0.559 -9.203 -4.187 292 1HA GLY 20 HA2 GLY 20 -0.903 -10.891 -5.796 293 2HA GLY 20 HA1 GLY 20 0.558 -11.625 -5.126 294 H GLU 21 H GLU 21 0.341 -13.418 -3.779 295 HA GLU 21 HA GLU 21 -2.038 -14.943 -3.805 296 1HB GLU 21 HB2 GLU 21 0.072 -14.935 -1.618 297 2HB GLU 21 HB1 GLU 21 -1.047 -16.249 -1.986 298 1HG GLU 21 HG2 GLU 21 0.658 -15.247 -4.217 299 2HG GLU 21 HG1 GLU 21 1.447 -16.205 -2.965 300 H ARG 22 H ARG 22 -1.043 -12.261 -1.857 301 HA ARG 22 HA ARG 22 -3.324 -12.611 -0.004 302 1HB ARG 22 HB2 ARG 22 -1.229 -10.421 -0.094 303 2HB ARG 22 HB1 ARG 22 -2.372 -10.725 1.214 304 1HG ARG 22 HG2 ARG 22 -0.242 -12.670 0.275 305 2HG ARG 22 HG1 ARG 22 -0.131 -11.664 1.720 306 1HD ARG 22 HD2 ARG 22 -1.298 -13.190 2.888 307 2HD ARG 22 HD1 ARG 22 -2.648 -13.029 1.764 308 HE ARG 22 HE ARG 22 -1.241 -14.723 0.336 309 1HH1 ARG 22 HH21 ARG 22 -0.025 -14.538 3.423 310 2HH1 ARG 22 HH22 ARG 22 -0.282 -16.201 3.831 311 1HH2 ARG 22 HH11 ARG 22 -2.159 -16.883 0.998 312 2HH2 ARG 22 HH12 ARG 22 -1.489 -17.528 2.458 313 H GLY 23 H GLY 23 -3.984 -12.275 -2.667 314 1HA GLY 23 HA2 GLY 23 -4.561 -10.345 -4.201 315 2HA GLY 23 HA1 GLY 23 -5.981 -10.974 -3.376 316 H PHE 24 H PHE 24 -4.025 -8.238 -3.876 317 HA PHE 24 HA PHE 24 -4.670 -6.729 -1.502 318 1HB PHE 24 HB2 PHE 24 -3.915 -4.780 -2.782 319 2HB PHE 24 HB1 PHE 24 -2.816 -6.122 -3.048 320 HD1 PHE 24 HD1 PHE 24 -5.009 -3.744 -4.601 321 HD2 PHE 24 HD2 PHE 24 -3.092 -7.544 -5.179 322 HE1 PHE 24 HE1 PHE 24 -5.387 -3.562 -7.043 323 HE2 PHE 24 HE2 PHE 24 -3.473 -7.363 -7.619 324 HZ PHE 24 HZ PHE 24 -4.618 -5.373 -8.553 325 H PHE 25 H PHE 25 -6.308 -4.984 -1.374 326 HA PHE 25 HA PHE 25 -8.552 -5.436 -3.296 327 1HB PHE 25 HB2 PHE 25 -10.106 -5.417 -1.590 328 2HB PHE 25 HB1 PHE 25 -8.734 -6.115 -0.739 329 HD1 PHE 25 HD1 PHE 25 -11.298 -3.935 -0.284 330 HD2 PHE 25 HD2 PHE 25 -7.012 -3.998 0.026 331 HE1 PHE 25 HE1 PHE 25 -11.389 -2.075 1.351 332 HE2 PHE 25 HE2 PHE 25 -7.103 -2.137 1.662 333 HZ PHE 25 HZ PHE 25 -9.291 -1.172 2.324 334 H TYR 26 H TYR 26 -6.597 -3.568 -3.884 335 HA TYR 26 HA TYR 26 -6.839 -0.925 -3.083 336 1HB TYR 26 HB2 TYR 26 -5.248 -1.560 -4.795 337 2HB TYR 26 HB1 TYR 26 -6.535 -2.054 -5.882 338 HD1 TYR 26 HD1 TYR 26 -5.861 1.002 -3.802 339 HD2 TYR 26 HD2 TYR 26 -6.783 -0.616 -7.674 340 HE1 TYR 26 HE1 TYR 26 -5.923 3.292 -4.747 341 HE2 TYR 26 HE2 TYR 26 -6.841 1.673 -8.623 342 HH TYR 26 HH TYR 26 -5.526 4.179 -7.468 343 H THR 27 H THR 27 -8.260 0.844 -3.761 344 HA THR 27 HA THR 27 -10.825 -0.091 -4.974 345 HB THR 27 HB THR 27 -11.562 0.063 -2.795 346 HG1 THR 27 HG1 THR 27 -12.829 1.756 -2.844 347 1HG2 THR 27 HG21 THR 27 -9.189 1.783 -2.494 348 2HG2 THR 27 HG22 THR 27 -9.894 0.629 -1.366 349 3HG2 THR 27 HG23 THR 27 -10.557 2.258 -1.491 350 H LYS 28 H LYS 28 -9.455 3.023 -3.817 351 HA LYS 28 HA LYS 28 -9.016 4.983 -5.078 352 1HB LYS 28 HB2 LYS 28 -8.707 3.173 -7.004 353 2HB LYS 28 HB1 LYS 28 -10.262 3.809 -7.536 354 1HG LYS 28 HG2 LYS 28 -9.370 6.056 -7.666 355 2HG LYS 28 HG1 LYS 28 -7.848 5.540 -6.938 356 1HD LYS 28 HD2 LYS 28 -7.073 5.115 -9.010 357 2HD LYS 28 HD1 LYS 28 -8.261 3.816 -9.127 358 1HE LYS 28 HE2 LYS 28 -9.920 5.752 -9.742 359 2HE LYS 28 HE1 LYS 28 -8.449 6.642 -10.130 360 1HZ LYS 28 HZ1 LYS 28 -9.438 4.125 -11.325 361 2HZ LYS 28 HZ2 LYS 28 -7.815 4.607 -11.474 362 3HZ LYS 28 HZ3 LYS 28 -9.055 5.581 -12.104 363 HA PRO 29 HA PRO 29 -13.488 5.742 -4.404 364 1HB PRO 29 HB2 PRO 29 -13.070 7.673 -2.490 365 2HB PRO 29 HB1 PRO 29 -13.186 5.943 -2.126 366 1HG PRO 29 HG2 PRO 29 -10.768 7.690 -2.201 367 2HG PRO 29 HG1 PRO 29 -11.054 6.210 -1.270 368 1HD PRO 29 HD2 PRO 29 -9.527 6.401 -3.641 369 2HD PRO 29 HD1 PRO 29 -10.110 4.897 -2.894 370 H THR 30 H THR 30 -12.987 6.671 -6.682 371 HA THR 30 HA THR 30 -12.556 9.621 -6.594 372 HB THR 30 HB THR 30 -12.589 7.797 -9.015 373 HG1 THR 30 HG1 THR 30 -10.876 7.161 -7.815 374 1HG2 THR 30 HG21 THR 30 -11.200 9.764 -9.908 375 2HG2 THR 30 HG22 THR 30 -11.788 10.663 -8.509 376 3HG2 THR 30 HG23 THR 30 -12.928 10.041 -9.701 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -7.164 7.793 0.870 2 2H GLY 1 HT2 GLY 1 -6.181 6.609 1.590 3 3H GLY 1 HT3 GLY 1 -6.826 6.351 0.040 4 1HA GLY 1 HA1 GLY 1 -5.278 7.747 -0.901 5 2HA GLY 1 HA2 GLY 1 -5.095 8.769 0.556 6 H ILE 2 H ILE 2 -4.995 5.193 0.120 7 HA ILE 2 HA ILE 2 -2.358 4.628 0.497 8 HB ILE 2 HB ILE 2 -4.301 3.032 -0.064 9 1HG1 ILE 2 HG12 ILE 2 -2.571 1.410 -1.196 10 2HG1 ILE 2 HG11 ILE 2 -1.432 2.721 -0.882 11 1HG2 ILE 2 HG21 ILE 2 -4.416 2.288 -2.399 12 2HG2 ILE 2 HG22 ILE 2 -3.200 3.482 -2.855 13 3HG2 ILE 2 HG23 ILE 2 -4.787 4.010 -2.295 14 1HD1 ILE 2 HD11 ILE 2 -3.153 2.208 1.413 15 2HD1 ILE 2 HD12 ILE 2 -1.393 2.278 1.330 16 3HD1 ILE 2 HD13 ILE 2 -2.234 0.776 0.948 17 H VAL 3 H VAL 3 -3.744 5.577 -2.664 18 HA VAL 3 HA VAL 3 -1.362 5.399 -4.182 19 HB VAL 3 HB VAL 3 -3.644 7.382 -4.424 20 1HG1 VAL 3 HG11 VAL 3 -2.787 7.423 -6.856 21 2HG1 VAL 3 HG12 VAL 3 -1.297 6.736 -6.212 22 3HG1 VAL 3 HG13 VAL 3 -1.847 8.318 -5.661 23 1HG2 VAL 3 HG21 VAL 3 -3.436 5.300 -6.435 24 2HG2 VAL 3 HG22 VAL 3 -4.796 5.702 -5.388 25 3HG2 VAL 3 HG23 VAL 3 -3.540 4.603 -4.818 26 H GLU 4 H GLU 4 -2.673 8.586 -3.382 27 HA GLU 4 HA GLU 4 -0.273 9.983 -3.532 28 1HB GLU 4 HB2 GLU 4 -2.256 11.271 -3.345 29 2HB GLU 4 HB1 GLU 4 -2.758 10.436 -1.874 30 1HG GLU 4 HG2 GLU 4 -0.995 11.488 -0.596 31 2HG GLU 4 HG1 GLU 4 -0.292 12.179 -2.054 32 H GLN 5 H GLN 5 -1.732 8.622 -0.559 33 HA GLN 5 HA GLN 5 0.182 9.306 1.315 34 1HB GLN 5 HB2 GLN 5 -1.919 7.747 1.505 35 2HB GLN 5 HB1 GLN 5 -0.758 6.452 1.209 36 1HG GLN 5 HG2 GLN 5 -0.713 6.612 3.543 37 2HG GLN 5 HG1 GLN 5 0.640 7.647 3.082 38 1HE2 GLN 5 HE21 GLN 5 -2.790 7.735 4.096 39 2HE2 GLN 5 HE22 GLN 5 -2.757 9.349 4.621 40 H CYS 6 H CYS 6 0.457 6.834 -1.208 41 HA CYS 6 HA CYS 6 3.242 6.305 -0.285 42 1HB CYS 6 HB2 CYS 6 1.455 4.741 -2.171 43 2HB CYS 6 HB1 CYS 6 3.121 4.320 -1.790 44 H CYS 7 H CYS 7 1.512 8.036 -2.666 45 HA CYS 7 HA CYS 7 3.807 7.864 -4.547 46 1HB CYS 7 HB2 CYS 7 1.570 7.600 -5.542 47 2HB CYS 7 HB1 CYS 7 1.083 9.164 -4.909 48 H THR 8 H THR 8 1.780 10.766 -4.247 49 HA THR 8 HA THR 8 3.842 12.636 -4.363 50 HB THR 8 HB THR 8 1.282 12.731 -2.746 51 HG1 THR 8 HG1 THR 8 1.594 12.766 -5.229 52 1HG2 THR 8 HG21 THR 8 2.194 15.341 -3.315 53 2HG2 THR 8 HG22 THR 8 3.569 14.474 -2.630 54 3HG2 THR 8 HG23 THR 8 2.053 14.578 -1.732 55 H SER 9 H SER 9 2.570 10.935 -1.567 56 HA SER 9 HA SER 9 4.961 11.760 0.022 57 1HB SER 9 HB2 SER 9 2.562 12.108 0.953 58 2HB SER 9 HB1 SER 9 2.492 10.353 1.078 59 HG SER 9 HG SER 9 4.258 12.163 2.351 60 H ILE 10 H ILE 10 5.808 9.763 1.364 61 HA ILE 10 HA ILE 10 5.450 7.351 -0.370 62 HB ILE 10 HB ILE 10 7.940 8.321 1.058 63 1HG1 ILE 10 HG12 ILE 10 8.867 8.264 -1.241 64 2HG1 ILE 10 HG11 ILE 10 7.295 7.759 -1.860 65 1HG2 ILE 10 HG21 ILE 10 8.977 6.260 0.190 66 2HG2 ILE 10 HG22 ILE 10 7.422 5.757 -0.461 67 3HG2 ILE 10 HG23 ILE 10 7.645 5.873 1.280 68 1HD1 ILE 10 HD11 ILE 10 8.113 10.355 -1.708 69 2HD1 ILE 10 HD12 ILE 10 7.251 10.187 -0.180 70 3HD1 ILE 10 HD13 ILE 10 6.423 9.852 -1.701 71 H CYS 11 H CYS 11 5.221 5.346 0.650 72 HA CYS 11 HA CYS 11 4.855 5.494 3.622 73 1HB CYS 11 HB2 CYS 11 3.182 3.675 3.348 74 2HB CYS 11 HB1 CYS 11 2.725 5.128 2.461 75 H SER 12 H SER 12 4.760 2.882 4.310 76 HA SER 12 HA SER 12 7.442 1.886 3.453 77 1HB SER 12 HB2 SER 12 7.607 0.810 5.601 78 2HB SER 12 HB1 SER 12 7.066 2.462 5.892 79 HG SER 12 HG SER 12 5.354 1.638 6.765 80 H LEU 13 H LEU 13 7.640 -0.543 3.434 81 HA LEU 13 HA LEU 13 5.711 -1.716 1.700 82 1HB LEU 13 HB2 LEU 13 8.125 -2.598 3.144 83 2HB LEU 13 HB1 LEU 13 6.949 -3.881 2.854 84 HG LEU 13 HG LEU 13 8.627 -3.588 0.996 85 1HD1 LEU 13 HD11 LEU 13 5.669 -3.195 0.514 86 2HD1 LEU 13 HD12 LEU 13 6.601 -4.689 0.417 87 3HD1 LEU 13 HD13 LEU 13 6.804 -3.442 -0.813 88 1HD2 LEU 13 HD21 LEU 13 7.121 -1.172 0.098 89 2HD2 LEU 13 HD22 LEU 13 8.800 -1.620 -0.195 90 3HD2 LEU 13 HD23 LEU 13 8.328 -0.944 1.364 91 H TYR 14 H TYR 14 6.084 -1.828 5.218 92 HA TYR 14 HA TYR 14 4.160 -3.880 5.718 93 1HB TYR 14 HB2 TYR 14 5.707 -3.088 7.456 94 2HB TYR 14 HB1 TYR 14 4.933 -1.503 7.439 95 HD1 TYR 14 HD1 TYR 14 3.487 -4.953 7.296 96 HD2 TYR 14 HD2 TYR 14 3.784 -1.259 9.474 97 HE1 TYR 14 HE1 TYR 14 1.788 -5.768 8.909 98 HE2 TYR 14 HE2 TYR 14 2.083 -2.075 11.088 99 HH TYR 14 HH TYR 14 0.384 -5.132 10.577 100 H GLN 15 H GLN 15 3.818 -0.480 4.934 101 HA GLN 15 HA GLN 15 1.067 -0.326 5.823 102 1HB GLN 15 HB2 GLN 15 2.617 1.440 3.906 103 2HB GLN 15 HB1 GLN 15 1.035 1.824 4.585 104 1HG GLN 15 HG2 GLN 15 2.331 1.275 6.871 105 2HG GLN 15 HG1 GLN 15 3.704 1.810 5.902 106 1HE2 GLN 15 HE21 GLN 15 0.326 2.861 6.637 107 2HE2 GLN 15 HE22 GLN 15 0.696 4.517 6.667 108 H LEU 16 H LEU 16 2.540 -0.505 2.544 109 HA LEU 16 HA LEU 16 0.094 -0.762 1.149 110 1HB LEU 16 HB2 LEU 16 2.908 -1.283 0.590 111 2HB LEU 16 HB1 LEU 16 1.886 -2.519 -0.137 112 HG LEU 16 HG LEU 16 1.969 -0.894 -1.816 113 1HD1 LEU 16 HD11 LEU 16 -0.339 0.439 -0.531 114 2HD1 LEU 16 HD12 LEU 16 -0.443 -1.318 -0.628 115 3HD1 LEU 16 HD13 LEU 16 -0.232 -0.364 -2.096 116 1HD2 LEU 16 HD21 LEU 16 1.710 1.191 0.366 117 2HD2 LEU 16 HD22 LEU 16 1.830 1.534 -1.360 118 3HD2 LEU 16 HD23 LEU 16 3.184 0.786 -0.512 119 H GLU 17 H GLU 17 1.670 -2.878 3.332 120 HA GLU 17 HA GLU 17 0.457 -5.363 2.425 121 1HB GLU 17 HB2 GLU 17 1.853 -4.462 4.940 122 2HB GLU 17 HB1 GLU 17 1.031 -6.018 4.889 123 1HG GLU 17 HG2 GLU 17 2.896 -5.364 2.648 124 2HG GLU 17 HG1 GLU 17 3.603 -5.775 4.211 125 H ASN 18 H ASN 18 -0.403 -2.741 4.581 126 HA ASN 18 HA ASN 18 -2.537 -4.032 5.960 127 1HB ASN 18 HB2 ASN 18 -1.913 -1.146 5.331 128 2HB ASN 18 HB1 ASN 18 -3.294 -1.628 6.307 129 1HD2 ASN 18 HD21 ASN 18 -0.546 -3.729 6.605 130 2HD2 ASN 18 HD22 ASN 18 0.009 -3.136 8.091 131 H TYR 19 H TYR 19 -2.264 -2.740 2.747 132 HA TYR 19 HA TYR 19 -5.215 -2.885 2.475 133 1HB TYR 19 HB2 TYR 19 -3.142 -1.618 0.665 134 2HB TYR 19 HB1 TYR 19 -4.881 -1.632 0.354 135 HD1 TYR 19 HD1 TYR 19 -2.378 -0.690 2.958 136 HD2 TYR 19 HD2 TYR 19 -6.261 0.041 1.273 137 HE1 TYR 19 HE1 TYR 19 -2.664 1.249 4.475 138 HE2 TYR 19 HE2 TYR 19 -6.552 1.981 2.795 139 HH TYR 19 HH TYR 19 -4.615 2.526 5.472 140 H CYS 20 H CYS 20 -2.745 -4.928 2.232 141 HA CYS 20 HA CYS 20 -3.188 -6.107 -0.380 142 1HB CYS 20 HB2 CYS 20 -1.725 -6.829 2.113 143 2HB CYS 20 HB1 CYS 20 -2.070 -8.112 0.991 144 H ASN 21 H ASN 21 -4.071 -8.540 -0.349 145 HA ASN 21 HA ASN 21 -6.642 -8.404 1.123 146 1HB ASN 21 HB2 ASN 21 -6.753 -9.008 -1.246 147 2HB ASN 21 HB1 ASN 21 -5.674 -10.374 -0.971 148 1HD2 ASN 21 HD21 ASN 21 -8.933 -9.123 -0.220 149 2HD2 ASN 21 HD22 ASN 21 -9.589 -10.630 0.202 150 1H PHE 1 HT1 PHE 1 10.683 -3.019 -0.394 151 2H PHE 1 HT2 PHE 1 12.283 -2.984 0.176 152 3H PHE 1 HT3 PHE 1 11.800 -4.175 -0.934 153 HA PHE 1 HA PHE 1 12.936 -2.683 -2.269 154 1HB PHE 1 HB2 PHE 1 10.220 -1.428 -2.466 155 2HB PHE 1 HB1 PHE 1 11.293 -1.971 -3.755 156 HD1 PHE 1 HD1 PHE 1 8.328 -2.721 -2.068 157 HD2 PHE 1 HD2 PHE 1 11.874 -4.617 -3.584 158 HE1 PHE 1 HE1 PHE 1 7.135 -4.894 -2.139 159 HE2 PHE 1 HE2 PHE 1 10.681 -6.791 -3.655 160 HZ PHE 1 HZ PHE 1 8.310 -6.929 -2.934 161 H VAL 2 H VAL 2 13.195 -0.327 -2.953 162 HA VAL 2 HA VAL 2 13.164 1.388 -0.507 163 HB VAL 2 HB VAL 2 14.955 2.681 -1.666 164 1HG1 VAL 2 HG11 VAL 2 15.395 -0.309 -1.386 165 2HG1 VAL 2 HG12 VAL 2 15.615 0.911 -0.131 166 3HG1 VAL 2 HG13 VAL 2 16.693 0.877 -1.525 167 1HG2 VAL 2 HG21 VAL 2 15.737 0.779 -3.625 168 2HG2 VAL 2 HG22 VAL 2 15.188 2.434 -3.894 169 3HG2 VAL 2 HG23 VAL 2 14.026 1.107 -3.892 170 H ASN 3 H ASN 3 13.091 3.852 -1.218 171 HA ASN 3 HA ASN 3 11.511 5.486 -1.879 172 1HB ASN 3 HB2 ASN 3 11.441 5.756 -4.331 173 2HB ASN 3 HB1 ASN 3 13.083 5.418 -3.781 174 1HD2 ASN 3 HD21 ASN 3 10.522 4.296 -5.831 175 2HD2 ASN 3 HD22 ASN 3 11.259 2.845 -6.313 176 H GLN 4 H GLN 4 9.669 4.512 -0.797 177 HA GLN 4 HA GLN 4 7.957 2.639 -2.260 178 1HB GLN 4 HB2 GLN 4 8.276 3.376 0.413 179 2HB GLN 4 HB1 GLN 4 6.739 4.112 -0.022 180 1HG GLN 4 HG2 GLN 4 7.460 1.187 -0.368 181 2HG GLN 4 HG1 GLN 4 6.391 1.848 0.865 182 1HE2 GLN 4 HE21 GLN 4 5.262 3.822 -1.194 183 2HE2 GLN 4 HE22 GLN 4 4.209 2.879 -2.134 184 H HIS 5 H HIS 5 8.292 4.647 -3.998 185 HA HIS 5 HA HIS 5 6.083 6.610 -3.669 186 1HB HIS 5 HB2 HIS 5 8.115 6.396 -5.913 187 2HB HIS 5 HB1 HIS 5 7.046 7.756 -5.587 188 HD2 HIS 5 HD2 HIS 5 8.318 9.706 -4.166 189 HE1 HIS 5 HE1 HIS 5 11.224 7.279 -2.288 190 HE2 HIS 5 HE2 HIS 5 10.382 9.668 -2.583 191 H LEU 6 H LEU 6 4.249 5.225 -4.069 192 HA LEU 6 HA LEU 6 4.154 4.059 -6.826 193 1HB LEU 6 HB2 LEU 6 2.957 3.171 -4.231 194 2HB LEU 6 HB1 LEU 6 2.256 2.694 -5.770 195 HG LEU 6 HG LEU 6 3.970 1.246 -6.248 196 1HD1 LEU 6 HD11 LEU 6 5.845 3.102 -4.750 197 2HD1 LEU 6 HD12 LEU 6 5.665 3.013 -6.502 198 3HD1 LEU 6 HD13 LEU 6 6.336 1.647 -5.613 199 1HD2 LEU 6 HD21 LEU 6 3.185 1.031 -3.724 200 2HD2 LEU 6 HD22 LEU 6 4.860 1.478 -3.407 201 3HD2 LEU 6 HD23 LEU 6 4.499 0.032 -4.347 202 H CYS 7 H CYS 7 2.649 4.826 -8.190 203 HA CYS 7 HA CYS 7 0.253 6.116 -7.008 204 1HB CYS 7 HB2 CYS 7 1.136 7.336 -9.538 205 2HB CYS 7 HB1 CYS 7 0.522 8.105 -8.081 206 H GLY 8 H GLY 8 -1.643 5.730 -8.196 207 1HA GLY 8 HA2 GLY 8 -3.003 4.332 -9.526 208 2HA GLY 8 HA1 GLY 8 -2.040 5.040 -10.819 209 H SER 9 H SER 9 -1.642 3.333 -12.149 210 HA SER 9 HA SER 9 -1.490 0.643 -11.694 211 1HB SER 9 HB2 SER 9 0.259 0.550 -13.526 212 2HB SER 9 HB1 SER 9 -1.200 1.454 -13.924 213 HG SER 9 HG SER 9 1.401 2.339 -13.433 214 H ASP 10 H ASP 10 1.460 2.697 -11.554 215 HA ASP 10 HA ASP 10 3.280 0.815 -10.642 216 1HB ASP 10 HB2 ASP 10 2.996 3.640 -9.566 217 2HB ASP 10 HB1 ASP 10 4.452 2.649 -9.493 218 H LEU 11 H LEU 11 0.604 2.226 -8.894 219 HA LEU 11 HA LEU 11 1.433 1.233 -6.291 220 1HB LEU 11 HB2 LEU 11 -0.185 3.178 -6.810 221 2HB LEU 11 HB1 LEU 11 -1.387 1.926 -7.112 222 HG LEU 11 HG LEU 11 -1.167 1.087 -4.843 223 1HD1 LEU 11 HD11 LEU 11 1.238 1.462 -4.510 224 2HD1 LEU 11 HD12 LEU 11 0.318 2.241 -3.225 225 3HD1 LEU 11 HD13 LEU 11 0.975 3.206 -4.544 226 1HD2 LEU 11 HD21 LEU 11 -1.632 3.969 -5.353 227 2HD2 LEU 11 HD22 LEU 11 -1.463 3.486 -3.665 228 3HD2 LEU 11 HD23 LEU 11 -2.716 2.756 -4.671 229 H THR 12 H THR 12 -0.671 0.107 -8.900 230 HA THR 12 HA THR 12 -1.630 -2.220 -7.464 231 HB THR 12 HB THR 12 -1.406 -1.710 -10.446 232 HG1 THR 12 HG1 THR 12 -3.470 -0.987 -10.277 233 1HG2 THR 12 HG21 THR 12 -2.185 -4.034 -8.908 234 2HG2 THR 12 HG22 THR 12 -2.010 -3.863 -10.654 235 3HG2 THR 12 HG23 THR 12 -3.535 -3.445 -9.876 236 H GLU 13 H GLU 13 0.876 -1.707 -9.948 237 HA GLU 13 HA GLU 13 1.891 -4.268 -10.237 238 1HB GLU 13 HB2 GLU 13 2.802 -1.630 -10.729 239 2HB GLU 13 HB1 GLU 13 4.106 -2.453 -9.880 240 1HG GLU 13 HG2 GLU 13 4.187 -4.206 -11.509 241 2HG GLU 13 HG1 GLU 13 2.668 -3.683 -12.240 242 H ALA 14 H ALA 14 3.093 -1.943 -7.772 243 HA ALA 14 HA ALA 14 4.603 -3.927 -6.353 244 1HB ALA 14 HB1 ALA 14 3.765 -1.925 -4.517 245 2HB ALA 14 HB2 ALA 14 4.008 -1.128 -6.072 246 3HB ALA 14 HB3 ALA 14 5.321 -2.050 -5.339 247 H LEU 15 H LEU 15 1.417 -2.466 -5.647 248 HA LEU 15 HA LEU 15 0.723 -3.968 -3.374 249 1HB LEU 15 HB2 LEU 15 -0.810 -2.716 -5.616 250 2HB LEU 15 HB1 LEU 15 -1.674 -3.821 -4.554 251 HG LEU 15 HG LEU 15 0.037 -1.608 -3.434 252 1HD1 LEU 15 HD11 LEU 15 -2.935 -1.387 -3.950 253 2HD1 LEU 15 HD12 LEU 15 -1.737 -0.763 -5.084 254 3HD1 LEU 15 HD13 LEU 15 -1.822 -0.115 -3.445 255 1HD2 LEU 15 HD21 LEU 15 -2.011 -1.928 -1.728 256 2HD2 LEU 15 HD22 LEU 15 -0.574 -2.948 -1.655 257 3HD2 LEU 15 HD23 LEU 15 -2.030 -3.531 -2.463 258 H TYR 16 H TYR 16 0.245 -4.776 -6.794 259 HA TYR 16 HA TYR 16 -1.029 -7.256 -6.509 260 1HB TYR 16 HB2 TYR 16 -0.227 -5.792 -8.608 261 2HB TYR 16 HB1 TYR 16 1.090 -6.957 -8.601 262 HD1 TYR 16 HD1 TYR 16 -0.253 -7.101 -10.973 263 HD2 TYR 16 HD2 TYR 16 -1.589 -8.711 -7.216 264 HE1 TYR 16 HE1 TYR 16 -1.697 -8.716 -12.175 265 HE2 TYR 16 HE2 TYR 16 -3.033 -10.317 -8.419 266 HH TYR 16 HH TYR 16 -4.076 -10.625 -10.543 267 H LEU 17 H LEU 17 2.418 -6.451 -6.336 268 HA LEU 17 HA LEU 17 3.192 -9.266 -6.096 269 1HB LEU 17 HB2 LEU 17 4.510 -7.099 -7.022 270 2HB LEU 17 HB1 LEU 17 5.126 -7.145 -5.367 271 HG LEU 17 HG LEU 17 5.189 -9.403 -7.395 272 1HD1 LEU 17 HD11 LEU 17 7.382 -7.816 -6.026 273 2HD1 LEU 17 HD12 LEU 17 6.927 -7.703 -7.726 274 3HD1 LEU 17 HD13 LEU 17 7.643 -9.189 -7.102 275 1HD2 LEU 17 HD21 LEU 17 5.702 -9.314 -4.431 276 2HD2 LEU 17 HD22 LEU 17 6.599 -10.445 -5.445 277 3HD2 LEU 17 HD23 LEU 17 4.840 -10.530 -5.373 278 H VAL 18 H VAL 18 3.491 -6.420 -3.899 279 HA VAL 18 HA VAL 18 4.470 -7.631 -1.632 280 HB VAL 18 HB VAL 18 2.420 -6.218 -0.471 281 1HG1 VAL 18 HG11 VAL 18 5.109 -5.403 -1.541 282 2HG1 VAL 18 HG12 VAL 18 4.633 -5.731 0.126 283 3HG1 VAL 18 HG13 VAL 18 4.086 -4.258 -0.674 284 1HG2 VAL 18 HG21 VAL 18 1.616 -4.555 -1.829 285 2HG2 VAL 18 HG22 VAL 18 1.883 -5.780 -3.068 286 3HG2 VAL 18 HG23 VAL 18 3.077 -4.508 -2.816 287 H CYS 19 H CYS 19 1.112 -7.730 -2.680 288 HA CYS 19 HA CYS 19 0.441 -9.637 -0.540 289 1HB CYS 19 HB2 CYS 19 -1.461 -9.217 -2.779 290 2HB CYS 19 HB1 CYS 19 -1.749 -9.231 -1.046 291 H GLY 20 H GLY 20 -0.133 -9.802 -4.063 292 1HA GLY 20 HA2 GLY 20 0.252 -11.578 -5.568 293 2HA GLY 20 HA1 GLY 20 1.338 -12.282 -4.366 294 H GLU 21 H GLU 21 0.598 -14.058 -3.238 295 HA GLU 21 HA GLU 21 -1.764 -15.412 -3.942 296 1HB GLU 21 HB2 GLU 21 -0.491 -15.464 -1.188 297 2HB GLU 21 HB1 GLU 21 -1.471 -16.732 -1.922 298 1HG GLU 21 HG2 GLU 21 1.269 -15.796 -2.818 299 2HG GLU 21 HG1 GLU 21 0.850 -17.372 -2.146 300 H ARG 22 H ARG 22 -1.197 -12.995 -1.437 301 HA ARG 22 HA ARG 22 -4.102 -12.968 -0.807 302 1HB ARG 22 HB2 ARG 22 -1.814 -11.400 0.442 303 2HB ARG 22 HB1 ARG 22 -3.476 -11.458 1.031 304 1HG ARG 22 HG2 ARG 22 -3.209 -13.516 1.969 305 2HG ARG 22 HG1 ARG 22 -2.197 -14.097 0.645 306 1HD ARG 22 HD2 ARG 22 -0.761 -12.034 1.995 307 2HD ARG 22 HD1 ARG 22 -1.373 -13.149 3.216 308 HE ARG 22 HE ARG 22 -0.312 -14.822 1.287 309 1HH1 ARG 22 HH21 ARG 22 1.094 -11.843 1.791 310 2HH1 ARG 22 HH22 ARG 22 2.612 -12.446 2.369 311 1HH2 ARG 22 HH11 ARG 22 1.523 -15.729 2.597 312 2HH2 ARG 22 HH12 ARG 22 2.855 -14.645 2.822 313 H GLY 23 H GLY 23 -3.121 -12.185 -3.385 314 1HA GLY 23 HA2 GLY 23 -2.532 -9.827 -4.325 315 2HA GLY 23 HA1 GLY 23 -4.098 -10.468 -4.808 316 H PHE 24 H PHE 24 -2.800 -7.695 -3.921 317 HA PHE 24 HA PHE 24 -4.232 -6.683 -1.703 318 1HB PHE 24 HB2 PHE 24 -3.866 -4.485 -2.661 319 2HB PHE 24 HB1 PHE 24 -2.443 -5.452 -3.008 320 HD1 PHE 24 HD1 PHE 24 -5.390 -3.800 -4.408 321 HD2 PHE 24 HD2 PHE 24 -2.051 -6.360 -5.268 322 HE1 PHE 24 HE1 PHE 24 -5.742 -3.438 -6.836 323 HE2 PHE 24 HE2 PHE 24 -2.399 -6.000 -7.698 324 HZ PHE 24 HZ PHE 24 -4.244 -4.538 -8.483 325 H PHE 25 H PHE 25 -5.879 -4.693 -2.328 326 HA PHE 25 HA PHE 25 -7.945 -5.844 -4.140 327 1HB PHE 25 HB2 PHE 25 -9.698 -5.428 -2.624 328 2HB PHE 25 HB1 PHE 25 -8.430 -6.121 -1.620 329 HD1 PHE 25 HD1 PHE 25 -10.460 -3.210 -2.314 330 HD2 PHE 25 HD2 PHE 25 -6.990 -4.615 -0.210 331 HE1 PHE 25 HE1 PHE 25 -10.523 -1.191 -0.880 332 HE2 PHE 25 HE2 PHE 25 -7.045 -2.592 1.226 333 HZ PHE 25 HZ PHE 25 -8.811 -0.877 0.892 334 H TYR 26 H TYR 26 -6.964 -2.850 -2.398 335 HA TYR 26 HA TYR 26 -7.040 -0.606 -3.114 336 1HB TYR 26 HB2 TYR 26 -5.279 -1.428 -4.557 337 2HB TYR 26 HB1 TYR 26 -6.441 -2.078 -5.693 338 HD1 TYR 26 HD1 TYR 26 -6.487 1.241 -3.970 339 HD2 TYR 26 HD2 TYR 26 -6.033 -0.907 -7.663 340 HE1 TYR 26 HE1 TYR 26 -6.445 3.386 -5.220 341 HE2 TYR 26 HE2 TYR 26 -5.987 1.233 -8.911 342 HH TYR 26 HH TYR 26 -6.334 3.450 -8.764 343 H THR 27 H THR 27 -8.996 0.396 -3.002 344 HA THR 27 HA THR 27 -11.176 -0.486 -4.826 345 HB THR 27 HB THR 27 -11.608 -0.446 -2.384 346 HG1 THR 27 HG1 THR 27 -13.210 0.122 -4.079 347 1HG2 THR 27 HG21 THR 27 -11.007 2.501 -2.752 348 2HG2 THR 27 HG22 THR 27 -10.177 1.365 -1.689 349 3HG2 THR 27 HG23 THR 27 -11.835 1.850 -1.337 350 H LYS 28 H LYS 28 -9.280 2.394 -4.027 351 HA LYS 28 HA LYS 28 -9.071 4.403 -5.258 352 1HB LYS 28 HB2 LYS 28 -11.177 3.272 -7.133 353 2HB LYS 28 HB1 LYS 28 -10.118 4.643 -7.435 354 1HG LYS 28 HG2 LYS 28 -8.244 3.317 -7.725 355 2HG LYS 28 HG1 LYS 28 -8.903 1.979 -6.782 356 1HD LYS 28 HD2 LYS 28 -8.886 1.437 -9.191 357 2HD LYS 28 HD1 LYS 28 -10.539 1.534 -8.583 358 1HE LYS 28 HE2 LYS 28 -11.004 3.133 -10.094 359 2HE LYS 28 HE1 LYS 28 -9.748 4.156 -9.397 360 1HZ LYS 28 HZ1 LYS 28 -9.459 3.607 -11.800 361 2HZ LYS 28 HZ2 LYS 28 -9.188 1.992 -11.347 362 3HZ LYS 28 HZ3 LYS 28 -8.132 3.213 -10.820 363 HA PRO 29 HA PRO 29 -12.885 5.666 -3.060 364 1HB PRO 29 HB2 PRO 29 -11.577 7.377 -1.350 365 2HB PRO 29 HB1 PRO 29 -11.815 5.653 -1.021 366 1HG PRO 29 HG2 PRO 29 -9.333 7.079 -1.861 367 2HG PRO 29 HG1 PRO 29 -9.506 5.577 -0.938 368 1HD PRO 29 HD2 PRO 29 -8.850 5.764 -3.685 369 2HD PRO 29 HD1 PRO 29 -9.356 4.290 -2.833 370 H THR 30 H THR 30 -13.300 8.229 -2.424 371 HA THR 30 HA THR 30 -13.249 9.613 -4.972 372 HB THR 30 HB THR 30 -13.891 10.808 -2.264 373 HG1 THR 30 HG1 THR 30 -15.466 9.444 -2.233 374 1HG2 THR 30 HG21 THR 30 -15.607 11.931 -3.981 375 2HG2 THR 30 HG22 THR 30 -14.316 11.546 -5.121 376 3HG2 THR 30 HG23 THR 30 -13.986 12.578 -3.728 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -7.273 8.461 -0.963 2 2H GLY 1 HT2 GLY 1 -6.091 7.903 -2.048 3 3H GLY 1 HT3 GLY 1 -6.036 9.502 -1.479 4 1HA GLY 1 HA1 GLY 1 -4.771 8.770 0.207 5 2HA GLY 1 HA2 GLY 1 -6.127 7.768 0.807 6 H ILE 2 H ILE 2 -5.090 5.577 0.123 7 HA ILE 2 HA ILE 2 -2.389 5.187 0.465 8 HB ILE 2 HB ILE 2 -4.549 3.602 -0.711 9 1HG1 ILE 2 HG12 ILE 2 -2.084 2.479 0.543 10 2HG1 ILE 2 HG11 ILE 2 -3.123 3.516 1.524 11 1HG2 ILE 2 HG21 ILE 2 -3.287 3.343 -2.705 12 2HG2 ILE 2 HG22 ILE 2 -2.864 1.935 -1.731 13 3HG2 ILE 2 HG23 ILE 2 -1.756 3.305 -1.829 14 1HD1 ILE 2 HD11 ILE 2 -3.622 0.804 0.473 15 2HD1 ILE 2 HD12 ILE 2 -4.977 1.924 0.320 16 3HD1 ILE 2 HD13 ILE 2 -4.276 1.599 1.903 17 H VAL 3 H VAL 3 -3.873 5.387 -2.798 18 HA VAL 3 HA VAL 3 -1.652 5.321 -4.400 19 HB VAL 3 HB VAL 3 -3.967 7.265 -4.583 20 1HG1 VAL 3 HG11 VAL 3 -2.888 8.273 -6.284 21 2HG1 VAL 3 HG12 VAL 3 -2.763 6.723 -7.115 22 3HG1 VAL 3 HG13 VAL 3 -1.486 7.240 -6.016 23 1HG2 VAL 3 HG21 VAL 3 -4.960 5.248 -5.012 24 2HG2 VAL 3 HG22 VAL 3 -3.431 4.464 -5.406 25 3HG2 VAL 3 HG23 VAL 3 -4.239 5.474 -6.605 26 H GLU 4 H GLU 4 -2.866 8.406 -3.031 27 HA GLU 4 HA GLU 4 -0.431 9.776 -3.681 28 1HB GLU 4 HB2 GLU 4 -2.842 10.408 -1.986 29 2HB GLU 4 HB1 GLU 4 -1.453 11.483 -2.009 30 1HG GLU 4 HG2 GLU 4 -2.680 10.547 -4.589 31 2HG GLU 4 HG1 GLU 4 -3.381 11.908 -3.713 32 H GLN 5 H GLN 5 -1.794 8.633 -0.557 33 HA GLN 5 HA GLN 5 0.265 9.399 1.153 34 1HB GLN 5 HB2 GLN 5 -1.811 8.118 1.817 35 2HB GLN 5 HB1 GLN 5 -1.025 6.655 1.224 36 1HG GLN 5 HG2 GLN 5 0.858 7.044 2.785 37 2HG GLN 5 HG1 GLN 5 0.038 8.478 3.402 38 1HE2 GLN 5 HE21 GLN 5 -2.668 7.171 3.198 39 2HE2 GLN 5 HE22 GLN 5 -2.731 6.065 4.484 40 H CYS 6 H CYS 6 0.263 6.832 -1.245 41 HA CYS 6 HA CYS 6 3.040 6.109 -0.439 42 1HB CYS 6 HB2 CYS 6 0.906 4.679 -2.024 43 2HB CYS 6 HB1 CYS 6 2.592 4.191 -2.108 44 H CYS 7 H CYS 7 1.266 7.862 -2.781 45 HA CYS 7 HA CYS 7 3.433 7.591 -4.794 46 1HB CYS 7 HB2 CYS 7 1.099 7.439 -5.597 47 2HB CYS 7 HB1 CYS 7 0.762 9.041 -4.944 48 H THR 8 H THR 8 1.539 10.560 -4.193 49 HA THR 8 HA THR 8 3.601 12.394 -4.561 50 HB THR 8 HB THR 8 2.300 13.593 -2.481 51 HG1 THR 8 HG1 THR 8 0.623 12.477 -1.958 52 1HG2 THR 8 HG21 THR 8 2.251 14.674 -4.554 53 2HG2 THR 8 HG22 THR 8 0.562 14.219 -4.333 54 3HG2 THR 8 HG23 THR 8 1.602 13.259 -5.385 55 H SER 9 H SER 9 2.740 10.602 -1.672 56 HA SER 9 HA SER 9 5.352 11.337 -0.427 57 1HB SER 9 HB2 SER 9 2.690 10.458 0.685 58 2HB SER 9 HB1 SER 9 4.162 10.136 1.596 59 HG SER 9 HG SER 9 3.184 12.166 2.107 60 H ILE 10 H ILE 10 6.420 9.332 0.637 61 HA ILE 10 HA ILE 10 5.808 6.973 -1.101 62 HB ILE 10 HB ILE 10 8.420 7.817 0.196 63 1HG1 ILE 10 HG12 ILE 10 9.235 8.009 -2.072 64 2HG1 ILE 10 HG11 ILE 10 7.750 7.327 -2.723 65 1HG2 ILE 10 HG21 ILE 10 7.403 5.227 -0.585 66 2HG2 ILE 10 HG22 ILE 10 8.937 5.628 0.180 67 3HG2 ILE 10 HG23 ILE 10 8.788 5.671 -1.577 68 1HD1 ILE 10 HD11 ILE 10 8.143 9.944 -2.730 69 2HD1 ILE 10 HD12 ILE 10 7.573 9.818 -1.065 70 3HD1 ILE 10 HD13 ILE 10 6.544 9.282 -2.394 71 H CYS 11 H CYS 11 5.679 4.879 -0.065 72 HA CYS 11 HA CYS 11 5.570 5.086 2.929 73 1HB CYS 11 HB2 CYS 11 3.751 3.366 2.859 74 2HB CYS 11 HB1 CYS 11 3.295 4.905 2.132 75 H SER 12 H SER 12 5.258 2.546 3.681 76 HA SER 12 HA SER 12 7.696 1.205 2.599 77 1HB SER 12 HB2 SER 12 8.217 0.501 4.748 78 2HB SER 12 HB1 SER 12 7.440 2.043 5.097 79 HG SER 12 HG SER 12 5.617 0.994 5.687 80 H LEU 13 H LEU 13 7.560 -1.275 3.175 81 HA LEU 13 HA LEU 13 5.323 -2.326 1.661 82 1HB LEU 13 HB2 LEU 13 7.602 -3.611 3.173 83 2HB LEU 13 HB1 LEU 13 6.370 -4.557 2.350 84 HG LEU 13 HG LEU 13 8.711 -3.321 1.240 85 1HD1 LEU 13 HD11 LEU 13 7.743 -5.581 0.788 86 2HD1 LEU 13 HD12 LEU 13 8.112 -4.674 -0.678 87 3HD1 LEU 13 HD13 LEU 13 6.444 -4.802 -0.116 88 1HD2 LEU 13 HD21 LEU 13 6.142 -2.443 -0.125 89 2HD2 LEU 13 HD22 LEU 13 7.792 -2.076 -0.625 90 3HD2 LEU 13 HD23 LEU 13 7.145 -1.369 0.845 91 H TYR 14 H TYR 14 5.990 -1.870 5.053 92 HA TYR 14 HA TYR 14 4.143 -3.826 6.054 93 1HB TYR 14 HB2 TYR 14 5.825 -2.699 7.494 94 2HB TYR 14 HB1 TYR 14 4.958 -1.176 7.291 95 HD1 TYR 14 HD1 TYR 14 4.317 -4.739 8.288 96 HD2 TYR 14 HD2 TYR 14 3.332 -0.595 8.866 97 HE1 TYR 14 HE1 TYR 14 2.786 -5.361 10.141 98 HE2 TYR 14 HE2 TYR 14 1.801 -1.218 10.718 99 HH TYR 14 HH TYR 14 0.453 -3.726 11.223 100 H GLN 15 H GLN 15 3.799 -0.543 4.836 101 HA GLN 15 HA GLN 15 1.043 -0.302 5.716 102 1HB GLN 15 HB2 GLN 15 2.641 1.289 3.691 103 2HB GLN 15 HB1 GLN 15 1.047 1.744 4.298 104 1HG GLN 15 HG2 GLN 15 2.179 1.423 6.653 105 2HG GLN 15 HG1 GLN 15 3.671 1.672 5.745 106 1HE2 GLN 15 HE21 GLN 15 0.852 3.258 7.049 107 2HE2 GLN 15 HE22 GLN 15 1.226 4.820 6.502 108 H LEU 16 H LEU 16 2.555 -0.774 2.482 109 HA LEU 16 HA LEU 16 0.053 -1.236 1.162 110 1HB LEU 16 HB2 LEU 16 2.901 -2.063 0.581 111 2HB LEU 16 HB1 LEU 16 1.590 -2.728 -0.380 112 HG LEU 16 HG LEU 16 2.077 -0.880 -1.672 113 1HD1 LEU 16 HD11 LEU 16 -0.262 -0.613 -0.729 114 2HD1 LEU 16 HD12 LEU 16 0.482 0.870 -1.327 115 3HD1 LEU 16 HD13 LEU 16 0.414 0.553 0.408 116 1HD2 LEU 16 HD21 LEU 16 3.138 1.110 -0.901 117 2HD2 LEU 16 HD22 LEU 16 3.900 -0.216 -0.026 118 3HD2 LEU 16 HD23 LEU 16 2.689 0.787 0.773 119 H GLU 17 H GLU 17 1.785 -3.026 3.502 120 HA GLU 17 HA GLU 17 0.790 -5.676 2.800 121 1HB GLU 17 HB2 GLU 17 2.080 -4.471 5.253 122 2HB GLU 17 HB1 GLU 17 1.383 -6.086 5.312 123 1HG GLU 17 HG2 GLU 17 3.235 -5.452 3.056 124 2HG GLU 17 HG1 GLU 17 3.937 -5.703 4.656 125 H ASN 18 H ASN 18 -0.080 -3.133 5.118 126 HA ASN 18 HA ASN 18 -2.368 -4.467 6.206 127 1HB ASN 18 HB2 ASN 18 -2.163 -1.475 5.997 128 2HB ASN 18 HB1 ASN 18 -2.767 -2.459 7.326 129 1HD2 ASN 18 HD21 ASN 18 -0.319 -4.290 7.024 130 2HD2 ASN 18 HD22 ASN 18 0.940 -3.424 7.758 131 H TYR 19 H TYR 19 -1.759 -3.089 3.167 132 HA TYR 19 HA TYR 19 -4.647 -2.615 2.708 133 1HB TYR 19 HB2 TYR 19 -2.241 -1.825 1.051 134 2HB TYR 19 HB1 TYR 19 -3.920 -1.422 0.675 135 HD1 TYR 19 HD1 TYR 19 -1.243 0.232 1.656 136 HD2 TYR 19 HD2 TYR 19 -5.032 -0.882 3.346 137 HE1 TYR 19 HE1 TYR 19 -1.105 2.150 3.225 138 HE2 TYR 19 HE2 TYR 19 -4.897 1.034 4.919 139 HH TYR 19 HH TYR 19 -3.803 3.141 5.156 140 H CYS 20 H CYS 20 -2.866 -5.190 2.679 141 HA CYS 20 HA CYS 20 -3.469 -6.162 -0.058 142 1HB CYS 20 HB2 CYS 20 -1.723 -7.055 2.208 143 2HB CYS 20 HB1 CYS 20 -2.110 -8.161 0.926 144 H ASN 21 H ASN 21 -4.281 -8.567 -0.022 145 HA ASN 21 HA ASN 21 -6.626 -8.653 1.786 146 1HB ASN 21 HB2 ASN 21 -6.168 -9.462 -0.875 147 2HB ASN 21 HB1 ASN 21 -6.386 -10.951 0.040 148 1HD2 ASN 21 HD21 ASN 21 -8.452 -11.226 1.202 149 2HD2 ASN 21 HD22 ASN 21 -9.811 -10.305 0.772 150 1H PHE 1 HT1 PHE 1 10.244 -3.145 0.128 151 2H PHE 1 HT2 PHE 1 11.544 -2.775 1.158 152 3H PHE 1 HT3 PHE 1 11.758 -3.864 -0.127 153 HA PHE 1 HA PHE 1 12.574 -2.119 -1.231 154 1HB PHE 1 HB2 PHE 1 9.769 -1.022 -1.287 155 2HB PHE 1 HB1 PHE 1 10.955 -1.096 -2.590 156 HD1 PHE 1 HD1 PHE 1 7.984 -2.154 -2.504 157 HD2 PHE 1 HD2 PHE 1 11.819 -4.017 -1.985 158 HE1 PHE 1 HE1 PHE 1 7.036 -4.316 -3.260 159 HE2 PHE 1 HE2 PHE 1 10.871 -6.180 -2.734 160 HZ PHE 1 HZ PHE 1 8.477 -6.331 -3.371 161 H VAL 2 H VAL 2 13.607 -0.221 -0.771 162 HA VAL 2 HA VAL 2 12.778 1.250 1.666 163 HB VAL 2 HB VAL 2 14.992 2.412 1.324 164 1HG1 VAL 2 HG11 VAL 2 15.781 -0.409 1.197 165 2HG1 VAL 2 HG12 VAL 2 14.431 -0.122 2.295 166 3HG1 VAL 2 HG13 VAL 2 15.951 0.744 2.521 167 1HG2 VAL 2 HG21 VAL 2 16.443 1.770 -0.428 168 2HG2 VAL 2 HG22 VAL 2 14.873 1.877 -1.225 169 3HG2 VAL 2 HG23 VAL 2 15.523 0.304 -0.768 170 H ASN 3 H ASN 3 11.850 3.274 1.581 171 HA ASN 3 HA ASN 3 10.661 5.039 0.528 172 1HB ASN 3 HB2 ASN 3 13.527 5.171 -0.246 173 2HB ASN 3 HB1 ASN 3 12.423 6.169 -1.191 174 1HD2 ASN 3 HD21 ASN 3 14.309 7.425 0.504 175 2HD2 ASN 3 HD22 ASN 3 13.495 8.138 1.813 176 H GLN 4 H GLN 4 9.194 3.606 -0.625 177 HA GLN 4 HA GLN 4 9.922 3.268 -3.496 178 1HB GLN 4 HB2 GLN 4 9.431 1.149 -2.513 179 2HB GLN 4 HB1 GLN 4 7.992 1.773 -1.712 180 1HG GLN 4 HG2 GLN 4 6.715 1.686 -3.620 181 2HG GLN 4 HG1 GLN 4 8.079 2.065 -4.672 182 1HE2 GLN 4 HE21 GLN 4 6.116 -0.499 -3.476 183 2HE2 GLN 4 HE22 GLN 4 7.035 -1.787 -4.092 184 H HIS 5 H HIS 5 8.857 4.412 -4.969 185 HA HIS 5 HA HIS 5 6.501 6.017 -4.147 186 1HB HIS 5 HB2 HIS 5 7.879 6.068 -6.842 187 2HB HIS 5 HB1 HIS 5 6.877 7.320 -6.110 188 HD2 HIS 5 HD2 HIS 5 10.473 5.752 -5.533 189 HE1 HIS 5 HE1 HIS 5 10.320 9.595 -3.774 190 HE2 HIS 5 HE2 HIS 5 11.826 7.604 -4.305 191 H LEU 6 H LEU 6 4.473 5.615 -5.082 192 HA LEU 6 HA LEU 6 4.328 3.148 -6.769 193 1HB LEU 6 HB2 LEU 6 2.436 4.255 -4.716 194 2HB LEU 6 HB1 LEU 6 2.060 2.898 -5.765 195 HG LEU 6 HG LEU 6 2.891 1.864 -3.779 196 1HD1 LEU 6 HD11 LEU 6 5.512 2.169 -5.224 197 2HD1 LEU 6 HD12 LEU 6 4.182 1.308 -5.995 198 3HD1 LEU 6 HD13 LEU 6 4.830 0.735 -4.459 199 1HD2 LEU 6 HD21 LEU 6 4.111 4.375 -3.407 200 2HD2 LEU 6 HD22 LEU 6 5.430 3.204 -3.432 201 3HD2 LEU 6 HD23 LEU 6 4.106 3.019 -2.280 202 H CYS 7 H CYS 7 1.442 4.865 -6.202 203 HA CYS 7 HA CYS 7 0.226 6.368 -7.484 204 1HB CYS 7 HB2 CYS 7 2.298 6.337 -9.650 205 2HB CYS 7 HB1 CYS 7 1.172 7.621 -9.235 206 H GLY 8 H GLY 8 -1.488 5.414 -8.375 207 1HA GLY 8 HA2 GLY 8 -2.714 3.707 -9.492 208 2HA GLY 8 HA1 GLY 8 -1.980 4.537 -10.857 209 H SER 9 H SER 9 -1.136 3.124 -12.255 210 HA SER 9 HA SER 9 -0.791 0.427 -12.049 211 1HB SER 9 HB2 SER 9 1.248 0.762 -13.641 212 2HB SER 9 HB1 SER 9 -0.346 1.288 -14.173 213 HG SER 9 HG SER 9 1.888 2.738 -13.727 214 H ASP 10 H ASP 10 2.044 2.580 -11.590 215 HA ASP 10 HA ASP 10 3.801 0.694 -10.543 216 1HB ASP 10 HB2 ASP 10 3.383 3.616 -9.959 217 2HB ASP 10 HB1 ASP 10 4.592 2.705 -9.050 218 H LEU 11 H LEU 11 1.072 2.274 -8.952 219 HA LEU 11 HA LEU 11 1.666 1.194 -6.332 220 1HB LEU 11 HB2 LEU 11 0.181 3.199 -6.790 221 2HB LEU 11 HB1 LEU 11 -1.032 2.067 -7.378 222 HG LEU 11 HG LEU 11 -1.104 0.955 -5.194 223 1HD1 LEU 11 HD11 LEU 11 0.174 1.751 -3.306 224 2HD1 LEU 11 HD12 LEU 11 0.835 3.078 -4.254 225 3HD1 LEU 11 HD13 LEU 11 1.313 1.417 -4.607 226 1HD2 LEU 11 HD21 LEU 11 -2.655 2.534 -4.839 227 2HD2 LEU 11 HD22 LEU 11 -1.675 3.766 -5.636 228 3HD2 LEU 11 HD23 LEU 11 -1.418 3.403 -3.929 229 H THR 12 H THR 12 -0.663 0.304 -8.895 230 HA THR 12 HA THR 12 -1.612 -2.070 -7.647 231 HB THR 12 HB THR 12 -1.191 -1.423 -10.582 232 HG1 THR 12 HG1 THR 12 -3.020 -0.451 -10.347 233 1HG2 THR 12 HG21 THR 12 -1.802 -3.520 -11.123 234 2HG2 THR 12 HG22 THR 12 -3.176 -3.458 -10.020 235 3HG2 THR 12 HG23 THR 12 -1.591 -3.952 -9.426 236 H GLU 13 H GLU 13 1.071 -1.592 -9.955 237 HA GLU 13 HA GLU 13 2.110 -4.157 -10.094 238 1HB GLU 13 HB2 GLU 13 3.188 -1.434 -10.275 239 2HB GLU 13 HB1 GLU 13 4.391 -2.624 -9.782 240 1HG GLU 13 HG2 GLU 13 3.969 -3.985 -11.716 241 2HG GLU 13 HG1 GLU 13 2.543 -3.039 -12.142 242 H ALA 14 H ALA 14 2.931 -1.749 -7.554 243 HA ALA 14 HA ALA 14 4.405 -3.658 -5.969 244 1HB ALA 14 HB1 ALA 14 4.976 -1.710 -4.981 245 2HB ALA 14 HB2 ALA 14 3.378 -1.680 -4.236 246 3HB ALA 14 HB3 ALA 14 3.647 -0.866 -5.778 247 H LEU 15 H LEU 15 1.266 -2.105 -5.290 248 HA LEU 15 HA LEU 15 0.324 -3.696 -3.219 249 1HB LEU 15 HB2 LEU 15 -0.821 -2.040 -5.303 250 2HB LEU 15 HB1 LEU 15 -1.845 -3.438 -5.045 251 HG LEU 15 HG LEU 15 -1.100 -1.253 -3.112 252 1HD1 LEU 15 HD11 LEU 15 -3.648 -1.688 -2.666 253 2HD1 LEU 15 HD12 LEU 15 -3.581 -2.528 -4.215 254 3HD1 LEU 15 HD13 LEU 15 -3.155 -0.819 -4.120 255 1HD2 LEU 15 HD21 LEU 15 -2.441 -2.820 -1.458 256 2HD2 LEU 15 HD22 LEU 15 -0.696 -2.996 -1.627 257 3HD2 LEU 15 HD23 LEU 15 -1.780 -4.104 -2.470 258 H TYR 16 H TYR 16 0.074 -4.384 -6.697 259 HA TYR 16 HA TYR 16 -1.193 -6.923 -6.503 260 1HB TYR 16 HB2 TYR 16 -0.676 -5.354 -8.553 261 2HB TYR 16 HB1 TYR 16 0.797 -6.308 -8.666 262 HD1 TYR 16 HD1 TYR 16 -2.633 -6.111 -9.522 263 HD2 TYR 16 HD2 TYR 16 0.493 -8.912 -8.614 264 HE1 TYR 16 HE1 TYR 16 -3.925 -7.907 -10.642 265 HE2 TYR 16 HE2 TYR 16 -0.797 -10.714 -9.735 266 HH TYR 16 HH TYR 16 -2.856 -10.494 -11.792 267 H LEU 17 H LEU 17 2.211 -5.982 -6.271 268 HA LEU 17 HA LEU 17 3.050 -8.806 -6.253 269 1HB LEU 17 HB2 LEU 17 4.372 -6.821 -7.269 270 2HB LEU 17 HB1 LEU 17 4.841 -6.474 -5.603 271 HG LEU 17 HG LEU 17 5.228 -9.135 -7.012 272 1HD1 LEU 17 HD11 LEU 17 7.265 -7.049 -6.186 273 2HD1 LEU 17 HD12 LEU 17 6.720 -7.324 -7.839 274 3HD1 LEU 17 HD13 LEU 17 7.609 -8.584 -6.982 275 1HD2 LEU 17 HD21 LEU 17 5.573 -8.187 -4.207 276 2HD2 LEU 17 HD22 LEU 17 6.830 -9.244 -4.850 277 3HD2 LEU 17 HD23 LEU 17 5.155 -9.792 -4.806 278 H VAL 18 H VAL 18 3.144 -6.042 -3.942 279 HA VAL 18 HA VAL 18 4.226 -7.362 -1.744 280 HB VAL 18 HB VAL 18 2.180 -6.008 -0.500 281 1HG1 VAL 18 HG11 VAL 18 4.786 -5.829 -0.443 282 2HG1 VAL 18 HG12 VAL 18 3.817 -4.430 0.017 283 3HG1 VAL 18 HG13 VAL 18 4.542 -4.512 -1.589 284 1HG2 VAL 18 HG21 VAL 18 1.599 -5.415 -3.038 285 2HG2 VAL 18 HG22 VAL 18 2.853 -4.202 -2.781 286 3HG2 VAL 18 HG23 VAL 18 1.422 -4.222 -1.751 287 H CYS 19 H CYS 19 0.857 -7.441 -2.802 288 HA CYS 19 HA CYS 19 0.338 -9.624 -0.845 289 1HB CYS 19 HB2 CYS 19 -1.854 -8.964 -2.677 290 2HB CYS 19 HB1 CYS 19 -1.839 -9.017 -0.925 291 H GLY 20 H GLY 20 -0.677 -9.096 -4.212 292 1HA GLY 20 HA2 GLY 20 -0.638 -10.540 -6.068 293 2HA GLY 20 HA1 GLY 20 0.715 -11.368 -5.288 294 H GLU 21 H GLU 21 0.301 -13.439 -4.682 295 HA GLU 21 HA GLU 21 -2.230 -14.682 -4.969 296 1HB GLU 21 HB2 GLU 21 0.031 -15.477 -3.104 297 2HB GLU 21 HB1 GLU 21 -1.287 -16.526 -3.627 298 1HG GLU 21 HG2 GLU 21 0.639 -15.178 -5.537 299 2HG GLU 21 HG1 GLU 21 0.847 -16.826 -4.940 300 H ARG 22 H ARG 22 -0.978 -12.636 -2.504 301 HA ARG 22 HA ARG 22 -2.905 -13.504 -0.471 302 1HB ARG 22 HB2 ARG 22 -0.874 -11.270 -0.581 303 2HB ARG 22 HB1 ARG 22 -1.980 -11.492 0.777 304 1HG ARG 22 HG2 ARG 22 0.104 -13.451 -0.221 305 2HG ARG 22 HG1 ARG 22 0.079 -12.618 1.333 306 1HD ARG 22 HD2 ARG 22 -0.853 -14.610 2.007 307 2HD ARG 22 HD1 ARG 22 -2.326 -13.800 1.471 308 HE ARG 22 HE ARG 22 -1.111 -15.191 -0.733 309 1HH1 ARG 22 HH21 ARG 22 -4.046 -15.174 0.107 310 2HH1 ARG 22 HH22 ARG 22 -4.284 -16.841 0.512 311 1HH2 ARG 22 HH11 ARG 22 -0.896 -17.552 0.699 312 2HH2 ARG 22 HH12 ARG 22 -2.500 -18.186 0.849 313 H GLY 23 H GLY 23 -3.419 -12.023 -3.244 314 1HA GLY 23 HA2 GLY 23 -5.072 -10.548 -4.017 315 2HA GLY 23 HA1 GLY 23 -5.883 -10.823 -2.472 316 H PHE 24 H PHE 24 -5.552 -8.286 -3.946 317 HA PHE 24 HA PHE 24 -4.228 -6.776 -1.729 318 1HB PHE 24 HB2 PHE 24 -3.192 -5.279 -3.294 319 2HB PHE 24 HB1 PHE 24 -2.728 -6.914 -3.714 320 HD1 PHE 24 HD1 PHE 24 -2.194 -5.116 -5.726 321 HD2 PHE 24 HD2 PHE 24 -6.022 -6.829 -4.801 322 HE1 PHE 24 HE1 PHE 24 -2.919 -4.747 -8.059 323 HE2 PHE 24 HE2 PHE 24 -6.745 -6.461 -7.136 324 HZ PHE 24 HZ PHE 24 -5.189 -5.421 -8.768 325 H PHE 25 H PHE 25 -4.834 -4.191 -2.396 326 HA PHE 25 HA PHE 25 -7.803 -4.323 -2.698 327 1HB PHE 25 HB2 PHE 25 -6.051 -2.999 -0.750 328 2HB PHE 25 HB1 PHE 25 -7.387 -2.016 -1.347 329 HD1 PHE 25 HD1 PHE 25 -6.764 -5.566 -0.373 330 HD2 PHE 25 HD2 PHE 25 -9.407 -2.190 -0.200 331 HE1 PHE 25 HE1 PHE 25 -8.301 -6.859 1.049 332 HE2 PHE 25 HE2 PHE 25 -10.953 -3.475 1.229 333 HZ PHE 25 HZ PHE 25 -10.416 -5.821 1.862 334 H TYR 26 H TYR 26 -5.912 -1.368 -2.479 335 HA TYR 26 HA TYR 26 -5.469 0.287 -4.151 336 1HB TYR 26 HB2 TYR 26 -5.536 -1.665 -5.852 337 2HB TYR 26 HB1 TYR 26 -7.242 -1.288 -6.032 338 HD1 TYR 26 HD1 TYR 26 -6.032 -1.089 -8.466 339 HD2 TYR 26 HD2 TYR 26 -5.777 1.759 -5.256 340 HE1 TYR 26 HE1 TYR 26 -5.491 0.696 -10.098 341 HE2 TYR 26 HE2 TYR 26 -5.233 3.545 -6.891 342 HH TYR 26 HH TYR 26 -5.836 3.479 -9.954 343 H THR 27 H THR 27 -6.990 0.899 -2.260 344 HA THR 27 HA THR 27 -9.807 1.218 -2.899 345 HB THR 27 HB THR 27 -9.064 2.964 -0.786 346 HG1 THR 27 HG1 THR 27 -7.833 0.416 -0.623 347 1HG2 THR 27 HG21 THR 27 -10.971 1.915 -0.197 348 2HG2 THR 27 HG22 THR 27 -9.945 0.591 0.358 349 3HG2 THR 27 HG23 THR 27 -10.637 0.552 -1.265 350 H LYS 28 H LYS 28 -9.968 2.503 -4.749 351 HA LYS 28 HA LYS 28 -8.878 5.281 -4.542 352 1HB LYS 28 HB2 LYS 28 -9.146 5.364 -7.005 353 2HB LYS 28 HB1 LYS 28 -8.095 4.030 -6.524 354 1HG LYS 28 HG2 LYS 28 -9.466 2.592 -7.579 355 2HG LYS 28 HG1 LYS 28 -10.768 3.052 -6.482 356 1HD LYS 28 HD2 LYS 28 -11.824 3.900 -8.288 357 2HD LYS 28 HD1 LYS 28 -10.618 5.188 -8.261 358 1HE LYS 28 HE2 LYS 28 -9.149 3.839 -9.720 359 2HE LYS 28 HE1 LYS 28 -10.366 2.562 -9.760 360 1HZ LYS 28 HZ1 LYS 28 -10.876 3.729 -11.645 361 2HZ LYS 28 HZ2 LYS 28 -10.421 5.229 -10.988 362 3HZ LYS 28 HZ3 LYS 28 -11.890 4.508 -10.529 363 HA PRO 29 HA PRO 29 -13.364 5.754 -3.915 364 1HB PRO 29 HB2 PRO 29 -13.091 7.929 -2.256 365 2HB PRO 29 HB1 PRO 29 -13.010 6.249 -1.696 366 1HG PRO 29 HG2 PRO 29 -10.791 8.207 -2.089 367 2HG PRO 29 HG1 PRO 29 -10.895 6.838 -0.968 368 1HD PRO 29 HD2 PRO 29 -9.462 6.856 -3.397 369 2HD PRO 29 HD1 PRO 29 -9.904 5.411 -2.462 370 H THR 30 H THR 30 -14.717 7.861 -4.172 371 HA THR 30 HA THR 30 -13.429 9.952 -5.802 372 HB THR 30 HB THR 30 -14.025 8.143 -7.423 373 HG1 THR 30 HG1 THR 30 -14.103 10.288 -8.104 374 1HG2 THR 30 HG21 THR 30 -16.516 7.851 -7.833 375 2HG2 THR 30 HG22 THR 30 -16.778 8.652 -6.283 376 3HG2 THR 30 HG23 THR 30 -15.906 7.121 -6.347 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -8.570 6.095 -0.678 2 2H GLY 1 HT2 GLY 1 -8.472 5.717 -2.330 3 3H GLY 1 HT3 GLY 1 -9.462 6.994 -1.808 4 1HA GLY 1 HA1 GLY 1 -6.846 7.230 -2.564 5 2HA GLY 1 HA2 GLY 1 -7.852 8.532 -1.860 6 H ILE 2 H ILE 2 -5.953 5.379 -1.742 7 HA ILE 2 HA ILE 2 -4.168 6.500 0.366 8 HB ILE 2 HB ILE 2 -4.956 4.436 1.135 9 1HG1 ILE 2 HG12 ILE 2 -2.355 4.636 0.814 10 2HG1 ILE 2 HG11 ILE 2 -3.054 3.093 1.296 11 1HG2 ILE 2 HG21 ILE 2 -4.867 3.663 -1.763 12 2HG2 ILE 2 HG22 ILE 2 -6.208 3.563 -0.624 13 3HG2 ILE 2 HG23 ILE 2 -4.881 2.407 -0.525 14 1HD1 ILE 2 HD11 ILE 2 -2.515 2.094 -0.673 15 2HD1 ILE 2 HD12 ILE 2 -1.360 3.417 -0.827 16 3HD1 ILE 2 HD13 ILE 2 -2.931 3.520 -1.621 17 H VAL 3 H VAL 3 -4.319 5.959 -2.965 18 HA VAL 3 HA VAL 3 -1.750 5.055 -3.660 19 HB VAL 3 HB VAL 3 -3.486 7.151 -4.992 20 1HG1 VAL 3 HG11 VAL 3 -1.004 7.274 -5.562 21 2HG1 VAL 3 HG12 VAL 3 -2.078 6.966 -6.927 22 3HG1 VAL 3 HG13 VAL 3 -1.162 5.641 -6.208 23 1HG2 VAL 3 HG21 VAL 3 -4.688 5.296 -5.471 24 2HG2 VAL 3 HG22 VAL 3 -3.408 4.226 -4.900 25 3HG2 VAL 3 HG23 VAL 3 -3.358 4.857 -6.546 26 H GLU 4 H GLU 4 -2.636 8.507 -3.727 27 HA GLU 4 HA GLU 4 -0.098 9.573 -3.790 28 1HB GLU 4 HB2 GLU 4 -1.064 11.595 -3.013 29 2HB GLU 4 HB1 GLU 4 -2.387 10.754 -3.807 30 1HG GLU 4 HG2 GLU 4 -3.156 9.895 -1.625 31 2HG GLU 4 HG1 GLU 4 -1.832 10.744 -0.824 32 H GLN 5 H GLN 5 -1.660 7.987 -1.105 33 HA GLN 5 HA GLN 5 -0.093 9.033 1.035 34 1HB GLN 5 HB2 GLN 5 -2.149 7.512 1.193 35 2HB GLN 5 HB1 GLN 5 -1.052 6.169 0.863 36 1HG GLN 5 HG2 GLN 5 -0.646 6.126 3.087 37 2HG GLN 5 HG1 GLN 5 0.262 7.620 2.843 38 1HE2 GLN 5 HE21 GLN 5 -0.559 8.035 5.173 39 2HE2 GLN 5 HE22 GLN 5 -2.087 8.754 5.338 40 H CYS 6 H CYS 6 0.540 6.400 -1.269 41 HA CYS 6 HA CYS 6 3.203 6.021 -0.003 42 1HB CYS 6 HB2 CYS 6 1.576 4.344 -1.899 43 2HB CYS 6 HB1 CYS 6 3.306 4.076 -1.693 44 H CYS 7 H CYS 7 1.702 7.564 -2.659 45 HA CYS 7 HA CYS 7 4.197 7.539 -4.256 46 1HB CYS 7 HB2 CYS 7 1.994 7.302 -5.412 47 2HB CYS 7 HB1 CYS 7 1.541 8.901 -4.847 48 H THR 8 H THR 8 1.987 10.313 -3.657 49 HA THR 8 HA THR 8 3.931 12.324 -3.697 50 HB THR 8 HB THR 8 2.257 13.040 -1.543 51 HG1 THR 8 HG1 THR 8 0.397 12.109 -1.887 52 1HG2 THR 8 HG21 THR 8 2.856 14.510 -3.384 53 2HG2 THR 8 HG22 THR 8 1.099 14.388 -3.300 54 3HG2 THR 8 HG23 THR 8 1.988 13.487 -4.528 55 H SER 9 H SER 9 2.722 10.694 -0.775 56 HA SER 9 HA SER 9 5.285 11.301 0.599 57 1HB SER 9 HB2 SER 9 2.715 11.329 1.556 58 2HB SER 9 HB1 SER 9 3.204 9.690 1.977 59 HG SER 9 HG SER 9 4.888 11.894 2.486 60 H ILE 10 H ILE 10 6.711 9.524 1.100 61 HA ILE 10 HA ILE 10 6.095 7.101 -0.487 62 HB ILE 10 HB ILE 10 8.611 8.101 0.865 63 1HG1 ILE 10 HG12 ILE 10 9.501 7.984 -1.418 64 2HG1 ILE 10 HG11 ILE 10 7.986 7.302 -1.998 65 1HG2 ILE 10 HG21 ILE 10 8.015 5.395 -0.358 66 2HG2 ILE 10 HG22 ILE 10 8.571 5.723 1.281 67 3HG2 ILE 10 HG23 ILE 10 9.650 5.996 -0.088 68 1HD1 ILE 10 HD11 ILE 10 6.916 9.328 -1.981 69 2HD1 ILE 10 HD12 ILE 10 8.562 9.942 -2.130 70 3HD1 ILE 10 HD13 ILE 10 7.780 9.888 -0.550 71 H CYS 11 H CYS 11 6.109 4.978 0.440 72 HA CYS 11 HA CYS 11 5.890 4.935 3.423 73 1HB CYS 11 HB2 CYS 11 3.956 3.473 3.298 74 2HB CYS 11 HB1 CYS 11 3.617 4.923 2.356 75 H SER 12 H SER 12 5.367 2.194 3.673 76 HA SER 12 HA SER 12 7.683 0.906 2.300 77 1HB SER 12 HB2 SER 12 8.068 -0.285 4.546 78 2HB SER 12 HB1 SER 12 8.571 1.401 4.446 79 HG SER 12 HG SER 12 7.037 0.442 6.234 80 H LEU 13 H LEU 13 7.545 -1.563 2.611 81 HA LEU 13 HA LEU 13 5.090 -2.530 1.606 82 1HB LEU 13 HB2 LEU 13 6.934 -4.238 3.279 83 2HB LEU 13 HB1 LEU 13 5.960 -4.715 1.889 84 HG LEU 13 HG LEU 13 8.464 -3.017 1.903 85 1HD1 LEU 13 HD11 LEU 13 9.297 -5.096 1.523 86 2HD1 LEU 13 HD12 LEU 13 8.638 -4.889 -0.100 87 3HD1 LEU 13 HD13 LEU 13 7.711 -5.757 1.124 88 1HD2 LEU 13 HD21 LEU 13 6.167 -3.012 0.057 89 2HD2 LEU 13 HD22 LEU 13 7.719 -3.280 -0.737 90 3HD2 LEU 13 HD23 LEU 13 7.464 -1.831 0.236 91 H TYR 14 H TYR 14 6.155 -2.048 4.920 92 HA TYR 14 HA TYR 14 4.277 -3.618 6.301 93 1HB TYR 14 HB2 TYR 14 6.175 -2.088 7.212 94 2HB TYR 14 HB1 TYR 14 4.972 -0.803 7.161 95 HD1 TYR 14 HD1 TYR 14 4.441 -4.416 7.980 96 HD2 TYR 14 HD2 TYR 14 4.550 -0.376 9.450 97 HE1 TYR 14 HE1 TYR 14 3.542 -5.182 10.170 98 HE2 TYR 14 HE2 TYR 14 3.650 -1.146 11.635 99 HH TYR 14 HH TYR 14 3.785 -3.824 12.829 100 H GLN 15 H GLN 15 3.942 -0.267 5.131 101 HA GLN 15 HA GLN 15 1.152 -0.053 5.868 102 1HB GLN 15 HB2 GLN 15 2.568 1.549 3.728 103 2HB GLN 15 HB1 GLN 15 1.218 2.055 4.746 104 1HG GLN 15 HG2 GLN 15 2.793 1.671 6.740 105 2HG GLN 15 HG1 GLN 15 4.095 1.607 5.551 106 1HE2 GLN 15 HE21 GLN 15 1.311 3.730 6.450 107 2HE2 GLN 15 HE22 GLN 15 2.117 5.182 6.092 108 H LEU 16 H LEU 16 2.693 -0.289 2.620 109 HA LEU 16 HA LEU 16 0.375 -0.692 1.111 110 1HB LEU 16 HB2 LEU 16 3.183 -1.166 0.740 111 2HB LEU 16 HB1 LEU 16 2.297 -2.574 0.156 112 HG LEU 16 HG LEU 16 2.583 -0.841 -1.612 113 1HD1 LEU 16 HD11 LEU 16 0.700 -2.266 -1.896 114 2HD1 LEU 16 HD12 LEU 16 0.068 -0.633 -2.108 115 3HD1 LEU 16 HD13 LEU 16 -0.187 -1.486 -0.586 116 1HD2 LEU 16 HD21 LEU 16 2.060 1.340 -1.268 117 2HD2 LEU 16 HD22 LEU 16 2.053 0.931 0.448 118 3HD2 LEU 16 HD23 LEU 16 0.544 0.933 -0.465 119 H GLU 17 H GLU 17 1.865 -2.812 3.435 120 HA GLU 17 HA GLU 17 0.546 -5.247 2.589 121 1HB GLU 17 HB2 GLU 17 2.381 -5.687 3.963 122 2HB GLU 17 HB1 GLU 17 2.037 -4.327 5.029 123 1HG GLU 17 HG2 GLU 17 0.539 -5.522 6.298 124 2HG GLU 17 HG1 GLU 17 0.000 -6.498 4.931 125 H ASN 18 H ASN 18 -0.229 -2.603 4.798 126 HA ASN 18 HA ASN 18 -2.533 -3.808 5.992 127 1HB ASN 18 HB2 ASN 18 -2.202 -0.846 5.523 128 2HB ASN 18 HB1 ASN 18 -2.921 -1.671 6.902 129 1HD2 ASN 18 HD21 ASN 18 -0.557 -3.668 6.803 130 2HD2 ASN 18 HD22 ASN 18 0.714 -2.825 7.545 131 H TYR 19 H TYR 19 -1.914 -2.645 2.855 132 HA TYR 19 HA TYR 19 -4.815 -2.257 2.299 133 1HB TYR 19 HB2 TYR 19 -2.524 -1.642 0.430 134 2HB TYR 19 HB1 TYR 19 -4.162 -0.979 0.407 135 HD1 TYR 19 HD1 TYR 19 -1.230 0.363 0.729 136 HD2 TYR 19 HD2 TYR 19 -4.511 -0.520 3.360 137 HE1 TYR 19 HE1 TYR 19 -0.505 2.186 2.249 138 HE2 TYR 19 HE2 TYR 19 -3.785 1.300 4.881 139 HH TYR 19 HH TYR 19 -2.471 3.396 4.736 140 H CYS 20 H CYS 20 -2.336 -4.535 2.060 141 HA CYS 20 HA CYS 20 -3.014 -5.792 -0.442 142 1HB CYS 20 HB2 CYS 20 -1.553 -6.638 2.054 143 2HB CYS 20 HB1 CYS 20 -1.815 -7.763 0.746 144 H ASN 21 H ASN 21 -3.516 -8.489 0.313 145 HA ASN 21 HA ASN 21 -6.290 -8.623 0.506 146 1HB ASN 21 HB2 ASN 21 -5.149 -10.657 0.031 147 2HB ASN 21 HB1 ASN 21 -4.173 -10.545 1.495 148 1HD2 ASN 21 HD21 ASN 21 -7.157 -11.743 0.190 149 2HD2 ASN 21 HD22 ASN 21 -7.812 -12.312 1.650 150 1H PHE 1 HT1 PHE 1 10.832 -4.398 0.197 151 2H PHE 1 HT2 PHE 1 9.824 -3.063 0.499 152 3H PHE 1 HT3 PHE 1 11.036 -3.485 1.612 153 HA PHE 1 HA PHE 1 12.651 -3.102 -0.327 154 1HB PHE 1 HB2 PHE 1 10.423 -1.264 -1.201 155 2HB PHE 1 HB1 PHE 1 11.893 -1.701 -2.073 156 HD1 PHE 1 HD1 PHE 1 8.651 -2.015 -2.559 157 HD2 PHE 1 HD2 PHE 1 11.962 -4.630 -1.742 158 HE1 PHE 1 HE1 PHE 1 7.445 -3.887 -3.655 159 HE2 PHE 1 HE2 PHE 1 10.757 -6.501 -2.837 160 HZ PHE 1 HZ PHE 1 8.498 -6.130 -3.795 161 H VAL 2 H VAL 2 13.005 -0.421 -0.715 162 HA VAL 2 HA VAL 2 12.566 0.809 1.974 163 HB VAL 2 HB VAL 2 14.879 1.820 1.704 164 1HG1 VAL 2 HG11 VAL 2 15.990 -0.566 2.081 165 2HG1 VAL 2 HG12 VAL 2 14.306 -1.087 2.131 166 3HG1 VAL 2 HG13 VAL 2 14.891 0.120 3.276 167 1HG2 VAL 2 HG21 VAL 2 16.170 1.341 -0.103 168 2HG2 VAL 2 HG22 VAL 2 14.669 0.809 -0.861 169 3HG2 VAL 2 HG23 VAL 2 15.723 -0.364 -0.075 170 H ASN 3 H ASN 3 11.831 2.906 1.856 171 HA ASN 3 HA ASN 3 10.880 4.787 0.789 172 1HB ASN 3 HB2 ASN 3 13.670 4.763 0.464 173 2HB ASN 3 HB1 ASN 3 13.032 5.165 -1.131 174 1HD2 ASN 3 HD21 ASN 3 14.129 7.355 -0.443 175 2HD2 ASN 3 HD22 ASN 3 13.141 8.454 0.392 176 H GLN 4 H GLN 4 9.156 3.734 -0.330 177 HA GLN 4 HA GLN 4 9.754 3.149 -3.202 178 1HB GLN 4 HB2 GLN 4 8.875 1.318 -1.415 179 2HB GLN 4 HB1 GLN 4 7.325 1.970 -1.947 180 1HG GLN 4 HG2 GLN 4 7.797 0.168 -3.438 181 2HG GLN 4 HG1 GLN 4 8.182 1.634 -4.341 182 1HE2 GLN 4 HE21 GLN 4 9.483 -0.517 -5.321 183 2HE2 GLN 4 HE22 GLN 4 11.104 -0.563 -4.822 184 H HIS 5 H HIS 5 8.697 4.393 -4.645 185 HA HIS 5 HA HIS 5 6.441 6.087 -3.671 186 1HB HIS 5 HB2 HIS 5 7.802 6.493 -6.319 187 2HB HIS 5 HB1 HIS 5 7.054 7.692 -5.265 188 HD2 HIS 5 HD2 HIS 5 10.364 5.496 -5.292 189 HE1 HIS 5 HE1 HIS 5 10.969 8.915 -2.880 190 HE2 HIS 5 HE2 HIS 5 12.080 6.846 -3.877 191 H LEU 6 H LEU 6 4.588 4.897 -4.047 192 HA LEU 6 HA LEU 6 4.319 3.627 -6.740 193 1HB LEU 6 HB2 LEU 6 3.191 2.925 -4.056 194 2HB LEU 6 HB1 LEU 6 2.445 2.370 -5.548 195 HG LEU 6 HG LEU 6 4.227 0.979 -6.084 196 1HD1 LEU 6 HD11 LEU 6 5.994 2.614 -6.170 197 2HD1 LEU 6 HD12 LEU 6 6.535 1.328 -5.094 198 3HD1 LEU 6 HD13 LEU 6 5.943 2.846 -4.422 199 1HD2 LEU 6 HD21 LEU 6 3.450 -0.037 -4.117 200 2HD2 LEU 6 HD22 LEU 6 4.073 1.256 -3.091 201 3HD2 LEU 6 HD23 LEU 6 5.184 0.097 -3.825 202 H CYS 7 H CYS 7 2.894 4.538 -8.085 203 HA CYS 7 HA CYS 7 0.539 5.870 -6.879 204 1HB CYS 7 HB2 CYS 7 1.428 7.196 -9.324 205 2HB CYS 7 HB1 CYS 7 0.952 7.904 -7.789 206 H GLY 8 H GLY 8 -1.354 5.682 -8.150 207 1HA GLY 8 HA2 GLY 8 -2.765 4.473 -9.602 208 2HA GLY 8 HA1 GLY 8 -1.641 5.053 -10.830 209 H SER 9 H SER 9 -1.576 3.191 -12.091 210 HA SER 9 HA SER 9 -1.571 0.531 -11.393 211 1HB SER 9 HB2 SER 9 0.473 0.668 -13.300 212 2HB SER 9 HB1 SER 9 -1.247 0.455 -13.613 213 HG SER 9 HG SER 9 -0.668 2.267 -14.705 214 H ASP 10 H ASP 10 1.404 2.550 -11.516 215 HA ASP 10 HA ASP 10 3.303 0.712 -10.685 216 1HB ASP 10 HB2 ASP 10 2.928 3.579 -9.767 217 2HB ASP 10 HB1 ASP 10 4.359 2.623 -9.382 218 H LEU 11 H LEU 11 0.670 2.065 -8.843 219 HA LEU 11 HA LEU 11 1.602 1.009 -6.283 220 1HB LEU 11 HB2 LEU 11 0.097 3.042 -6.593 221 2HB LEU 11 HB1 LEU 11 -1.187 1.918 -7.025 222 HG LEU 11 HG LEU 11 -1.058 0.853 -4.838 223 1HD1 LEU 11 HD11 LEU 11 1.169 2.834 -4.286 224 2HD1 LEU 11 HD12 LEU 11 1.373 1.090 -4.460 225 3HD1 LEU 11 HD13 LEU 11 0.456 1.742 -3.103 226 1HD2 LEU 11 HD21 LEU 11 -1.110 3.301 -3.553 227 2HD2 LEU 11 HD22 LEU 11 -2.482 2.525 -4.344 228 3HD2 LEU 11 HD23 LEU 11 -1.509 3.707 -5.221 229 H THR 12 H THR 12 -0.878 0.139 -8.702 230 HA THR 12 HA THR 12 -1.759 -2.235 -7.343 231 HB THR 12 HB THR 12 -1.704 -1.639 -10.319 232 HG1 THR 12 HG1 THR 12 -4.107 -1.442 -9.441 233 1HG2 THR 12 HG21 THR 12 -3.495 -3.566 -8.831 234 2HG2 THR 12 HG22 THR 12 -1.973 -4.066 -9.568 235 3HG2 THR 12 HG23 THR 12 -3.269 -3.421 -10.574 236 H GLU 13 H GLU 13 0.678 -1.643 -9.875 237 HA GLU 13 HA GLU 13 1.607 -4.259 -10.269 238 1HB GLU 13 HB2 GLU 13 2.609 -1.576 -10.688 239 2HB GLU 13 HB1 GLU 13 3.913 -2.626 -10.140 240 1HG GLU 13 HG2 GLU 13 3.028 -4.311 -11.894 241 2HG GLU 13 HG1 GLU 13 2.150 -2.938 -12.569 242 H ALA 14 H ALA 14 2.978 -1.902 -7.941 243 HA ALA 14 HA ALA 14 4.563 -3.780 -6.511 244 1HB ALA 14 HB1 ALA 14 4.479 -2.124 -4.652 245 2HB ALA 14 HB2 ALA 14 3.202 -1.257 -5.505 246 3HB ALA 14 HB3 ALA 14 4.820 -1.351 -6.200 247 H LEU 15 H LEU 15 1.327 -2.479 -5.687 248 HA LEU 15 HA LEU 15 0.682 -4.052 -3.483 249 1HB LEU 15 HB2 LEU 15 -0.850 -2.849 -5.719 250 2HB LEU 15 HB1 LEU 15 -1.662 -4.174 -4.891 251 HG LEU 15 HG LEU 15 -0.509 -1.715 -3.540 252 1HD1 LEU 15 HD11 LEU 15 -3.414 -2.501 -3.842 253 2HD1 LEU 15 HD12 LEU 15 -2.600 -1.479 -5.024 254 3HD1 LEU 15 HD13 LEU 15 -2.756 -0.941 -3.352 255 1HD2 LEU 15 HD21 LEU 15 -0.476 -3.704 -2.090 256 2HD2 LEU 15 HD22 LEU 15 -2.159 -4.042 -2.493 257 3HD2 LEU 15 HD23 LEU 15 -1.748 -2.600 -1.566 258 H TYR 16 H TYR 16 0.006 -4.876 -6.864 259 HA TYR 16 HA TYR 16 -0.916 -7.463 -6.661 260 1HB TYR 16 HB2 TYR 16 -0.104 -5.873 -8.710 261 2HB TYR 16 HB1 TYR 16 1.182 -7.077 -8.716 262 HD1 TYR 16 HD1 TYR 16 -1.904 -6.329 -10.087 263 HD2 TYR 16 HD2 TYR 16 0.199 -9.581 -8.234 264 HE1 TYR 16 HE1 TYR 16 -3.435 -7.936 -11.183 265 HE2 TYR 16 HE2 TYR 16 -1.330 -11.194 -9.327 266 HH TYR 16 HH TYR 16 -3.328 -10.400 -11.880 267 H LEU 17 H LEU 17 2.449 -6.390 -6.376 268 HA LEU 17 HA LEU 17 3.373 -9.168 -6.129 269 1HB LEU 17 HB2 LEU 17 4.578 -6.999 -7.150 270 2HB LEU 17 HB1 LEU 17 5.172 -6.881 -5.491 271 HG LEU 17 HG LEU 17 5.404 -9.307 -7.299 272 1HD1 LEU 17 HD11 LEU 17 7.764 -7.929 -6.124 273 2HD1 LEU 17 HD12 LEU 17 6.927 -7.087 -7.428 274 3HD1 LEU 17 HD13 LEU 17 7.581 -8.703 -7.698 275 1HD2 LEU 17 HD21 LEU 17 5.160 -10.114 -5.068 276 2HD2 LEU 17 HD22 LEU 17 6.151 -8.812 -4.409 277 3HD2 LEU 17 HD23 LEU 17 6.898 -10.091 -5.365 278 H VAL 18 H VAL 18 3.682 -6.249 -4.037 279 HA VAL 18 HA VAL 18 4.649 -7.411 -1.729 280 HB VAL 18 HB VAL 18 2.696 -5.851 -0.610 281 1HG1 VAL 18 HG11 VAL 18 4.411 -3.995 -0.848 282 2HG1 VAL 18 HG12 VAL 18 5.348 -5.116 -1.836 283 3HG1 VAL 18 HG13 VAL 18 4.997 -5.505 -0.152 284 1HG2 VAL 18 HG21 VAL 18 2.058 -5.514 -3.184 285 2HG2 VAL 18 HG22 VAL 18 3.349 -4.316 -3.087 286 3HG2 VAL 18 HG23 VAL 18 1.947 -4.190 -2.025 287 H CYS 19 H CYS 19 1.417 -7.654 -3.001 288 HA CYS 19 HA CYS 19 0.692 -9.428 -0.723 289 1HB CYS 19 HB2 CYS 19 -1.423 -8.695 -2.643 290 2HB CYS 19 HB1 CYS 19 -1.442 -8.650 -0.890 291 H GLY 20 H GLY 20 -0.268 -9.228 -4.152 292 1HA GLY 20 HA2 GLY 20 -0.605 -10.973 -5.706 293 2HA GLY 20 HA1 GLY 20 0.924 -11.596 -5.076 294 H GLU 21 H GLU 21 0.881 -13.342 -3.647 295 HA GLU 21 HA GLU 21 -1.397 -15.027 -3.574 296 1HB GLU 21 HB2 GLU 21 0.730 -14.868 -1.413 297 2HB GLU 21 HB1 GLU 21 -0.251 -16.271 -1.843 298 1HG GLU 21 HG2 GLU 21 0.795 -16.249 -4.114 299 2HG GLU 21 HG1 GLU 21 1.844 -14.935 -3.582 300 H ARG 22 H ARG 22 -0.502 -12.241 -1.729 301 HA ARG 22 HA ARG 22 -2.694 -12.673 0.214 302 1HB ARG 22 HB2 ARG 22 -0.887 -10.261 0.071 303 2HB ARG 22 HB1 ARG 22 -1.767 -10.879 1.465 304 1HG ARG 22 HG2 ARG 22 0.434 -12.433 0.086 305 2HG ARG 22 HG1 ARG 22 0.720 -11.379 1.472 306 1HD ARG 22 HD2 ARG 22 0.157 -13.102 2.809 307 2HD ARG 22 HD1 ARG 22 -1.488 -12.967 2.187 308 HE ARG 22 HE ARG 22 -0.242 -14.472 0.256 309 1HH1 ARG 22 HH21 ARG 22 1.130 -14.845 3.205 310 2HH1 ARG 22 HH22 ARG 22 0.584 -16.464 3.494 311 1HH2 ARG 22 HH11 ARG 22 -1.628 -16.476 0.826 312 2HH2 ARG 22 HH12 ARG 22 -0.977 -17.387 2.147 313 H GLY 23 H GLY 23 -3.371 -12.367 -2.508 314 1HA GLY 23 HA2 GLY 23 -4.151 -10.534 -4.030 315 2HA GLY 23 HA1 GLY 23 -5.504 -11.169 -3.106 316 H PHE 24 H PHE 24 -3.891 -8.355 -3.953 317 HA PHE 24 HA PHE 24 -4.328 -6.826 -1.515 318 1HB PHE 24 HB2 PHE 24 -3.890 -4.865 -3.008 319 2HB PHE 24 HB1 PHE 24 -2.647 -6.096 -3.106 320 HD1 PHE 24 HD1 PHE 24 -5.607 -4.692 -4.835 321 HD2 PHE 24 HD2 PHE 24 -2.228 -7.320 -5.118 322 HE1 PHE 24 HE1 PHE 24 -5.953 -4.857 -7.279 323 HE2 PHE 24 HE2 PHE 24 -2.570 -7.492 -7.567 324 HZ PHE 24 HZ PHE 24 -4.435 -6.262 -8.650 325 H PHE 25 H PHE 25 -5.820 -4.700 -1.850 326 HA PHE 25 HA PHE 25 -8.293 -5.458 -3.308 327 1HB PHE 25 HB2 PHE 25 -9.642 -5.624 -1.478 328 2HB PHE 25 HB1 PHE 25 -8.138 -6.020 -0.659 329 HD1 PHE 25 HD1 PHE 25 -10.984 -4.239 -0.188 330 HD2 PHE 25 HD2 PHE 25 -6.738 -3.588 -0.235 331 HE1 PHE 25 HE1 PHE 25 -11.275 -2.250 1.267 332 HE2 PHE 25 HE2 PHE 25 -7.027 -1.599 1.222 333 HZ PHE 25 HZ PHE 25 -9.295 -0.930 1.972 334 H TYR 26 H TYR 26 -6.264 -3.431 -3.791 335 HA TYR 26 HA TYR 26 -6.633 -0.829 -3.096 336 1HB TYR 26 HB2 TYR 26 -5.099 -1.508 -4.861 337 2HB TYR 26 HB1 TYR 26 -6.436 -1.946 -5.906 338 HD1 TYR 26 HD1 TYR 26 -5.026 0.971 -4.034 339 HD2 TYR 26 HD2 TYR 26 -7.289 -0.399 -7.419 340 HE1 TYR 26 HE1 TYR 26 -5.053 3.274 -4.949 341 HE2 TYR 26 HE2 TYR 26 -7.313 1.900 -8.339 342 HH TYR 26 HH TYR 26 -6.451 4.621 -6.502 343 H THR 27 H THR 27 -8.407 0.352 -2.758 344 HA THR 27 HA THR 27 -10.989 -0.493 -3.779 345 HB THR 27 HB THR 27 -11.041 0.432 -1.609 346 HG1 THR 27 HG1 THR 27 -11.749 2.614 -3.266 347 1HG2 THR 27 HG21 THR 27 -10.163 2.905 -1.380 348 2HG2 THR 27 HG22 THR 27 -9.203 2.484 -2.798 349 3HG2 THR 27 HG23 THR 27 -9.028 1.558 -1.307 350 H LYS 28 H LYS 28 -10.732 -0.278 -6.066 351 HA LYS 28 HA LYS 28 -9.921 1.885 -7.584 352 1HB LYS 28 HB2 LYS 28 -12.133 -0.099 -7.893 353 2HB LYS 28 HB1 LYS 28 -12.088 1.271 -9.003 354 1HG LYS 28 HG2 LYS 28 -9.966 0.673 -9.849 355 2HG LYS 28 HG1 LYS 28 -9.624 -0.388 -8.481 356 1HD LYS 28 HD2 LYS 28 -11.861 -0.899 -10.457 357 2HD LYS 28 HD1 LYS 28 -10.248 -1.595 -10.619 358 1HE LYS 28 HE2 LYS 28 -10.521 -2.535 -8.286 359 2HE LYS 28 HE1 LYS 28 -12.205 -2.016 -8.347 360 1HZ LYS 28 HZ1 LYS 28 -12.592 -3.963 -9.315 361 2HZ LYS 28 HZ2 LYS 28 -10.944 -4.261 -9.599 362 3HZ LYS 28 HZ3 LYS 28 -11.844 -3.328 -10.699 363 HA PRO 29 HA PRO 29 -12.659 4.949 -5.736 364 1HB PRO 29 HB2 PRO 29 -11.245 7.102 -6.703 365 2HB PRO 29 HB1 PRO 29 -10.807 6.221 -5.228 366 1HG PRO 29 HG2 PRO 29 -9.528 6.122 -7.926 367 2HG PRO 29 HG1 PRO 29 -8.810 5.838 -6.332 368 1HD PRO 29 HD2 PRO 29 -9.563 3.833 -8.164 369 2HD PRO 29 HD1 PRO 29 -9.225 3.581 -6.438 370 H THR 30 H THR 30 -11.441 6.681 -8.521 371 HA THR 30 HA THR 30 -14.129 6.364 -9.795 372 HB THR 30 HB THR 30 -12.272 8.680 -10.314 373 HG1 THR 30 HG1 THR 30 -13.636 9.726 -8.673 374 1HG2 THR 30 HG21 THR 30 -13.969 9.121 -11.733 375 2HG2 THR 30 HG22 THR 30 -14.939 9.476 -10.304 376 3HG2 THR 30 HG23 THR 30 -14.982 7.866 -11.019 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -8.364 8.921 -0.245 2 2H GLY 1 HT2 GLY 1 -7.776 9.319 -1.788 3 3H GLY 1 HT3 GLY 1 -6.826 9.621 -0.412 4 1HA GLY 1 HA1 GLY 1 -7.188 6.997 -0.242 5 2HA GLY 1 HA2 GLY 1 -7.180 7.173 -2.023 6 H ILE 2 H ILE 2 -5.508 5.476 -1.113 7 HA ILE 2 HA ILE 2 -3.389 6.572 0.673 8 HB ILE 2 HB ILE 2 -4.049 4.536 1.596 9 1HG1 ILE 2 HG12 ILE 2 -1.546 4.637 0.768 10 2HG1 ILE 2 HG11 ILE 2 -2.192 3.136 1.427 11 1HG2 ILE 2 HG21 ILE 2 -4.420 3.604 -1.253 12 2HG2 ILE 2 HG22 ILE 2 -5.650 3.808 -0.008 13 3HG2 ILE 2 HG23 ILE 2 -4.475 2.499 0.120 14 1HD1 ILE 2 HD11 ILE 2 -2.571 3.552 -1.491 15 2HD1 ILE 2 HD12 ILE 2 -2.172 2.081 -0.607 16 3HD1 ILE 2 HD13 ILE 2 -0.916 3.267 -0.954 17 H VAL 3 H VAL 3 -4.076 6.000 -2.585 18 HA VAL 3 HA VAL 3 -1.579 5.096 -3.586 19 HB VAL 3 HB VAL 3 -3.575 7.003 -4.836 20 1HG1 VAL 3 HG11 VAL 3 -2.252 7.115 -6.669 21 2HG1 VAL 3 HG12 VAL 3 -1.891 5.390 -6.606 22 3HG1 VAL 3 HG13 VAL 3 -0.958 6.522 -5.629 23 1HG2 VAL 3 HG21 VAL 3 -4.808 5.166 -5.250 24 2HG2 VAL 3 HG22 VAL 3 -3.689 4.232 -4.257 25 3HG2 VAL 3 HG23 VAL 3 -3.422 4.369 -5.995 26 H GLU 4 H GLU 4 -2.748 8.474 -3.447 27 HA GLU 4 HA GLU 4 -0.274 9.647 -4.108 28 1HB GLU 4 HB2 GLU 4 -2.813 10.533 -2.959 29 2HB GLU 4 HB1 GLU 4 -1.443 11.434 -2.314 30 1HG GLU 4 HG2 GLU 4 -0.675 11.921 -4.610 31 2HG GLU 4 HG1 GLU 4 -2.050 11.024 -5.256 32 H GLN 5 H GLN 5 -1.587 8.715 -0.940 33 HA GLN 5 HA GLN 5 0.430 9.772 0.714 34 1HB GLN 5 HB2 GLN 5 -1.756 8.305 1.210 35 2HB GLN 5 HB1 GLN 5 -0.557 7.014 1.301 36 1HG GLN 5 HG2 GLN 5 0.410 9.350 2.700 37 2HG GLN 5 HG1 GLN 5 -1.185 8.903 3.308 38 1HE2 GLN 5 HE21 GLN 5 -1.254 7.172 4.762 39 2HE2 GLN 5 HE22 GLN 5 0.024 6.085 5.032 40 H CYS 6 H CYS 6 0.421 6.831 -1.265 41 HA CYS 6 HA CYS 6 3.161 6.191 -0.340 42 1HB CYS 6 HB2 CYS 6 1.354 4.701 -2.264 43 2HB CYS 6 HB1 CYS 6 2.911 4.135 -1.662 44 H CYS 7 H CYS 7 1.636 7.976 -2.796 45 HA CYS 7 HA CYS 7 3.967 7.622 -4.611 46 1HB CYS 7 HB2 CYS 7 1.749 7.499 -5.692 47 2HB CYS 7 HB1 CYS 7 1.357 9.103 -5.092 48 H THR 8 H THR 8 2.006 10.582 -4.129 49 HA THR 8 HA THR 8 4.100 12.426 -4.289 50 HB THR 8 HB THR 8 2.608 13.589 -2.323 51 HG1 THR 8 HG1 THR 8 0.545 12.818 -2.439 52 1HG2 THR 8 HG21 THR 8 2.888 14.570 -4.501 53 2HG2 THR 8 HG22 THR 8 1.154 14.435 -4.208 54 3HG2 THR 8 HG23 THR 8 1.963 13.276 -5.263 55 H SER 9 H SER 9 2.990 10.527 -1.562 56 HA SER 9 HA SER 9 5.480 11.225 -0.064 57 1HB SER 9 HB2 SER 9 2.688 10.570 0.775 58 2HB SER 9 HB1 SER 9 3.982 9.885 1.755 59 HG SER 9 HG SER 9 3.859 11.818 2.634 60 H ILE 10 H ILE 10 6.138 9.044 1.261 61 HA ILE 10 HA ILE 10 5.764 6.819 -0.703 62 HB ILE 10 HB ILE 10 8.241 7.543 0.882 63 1HG1 ILE 10 HG12 ILE 10 9.253 7.696 -1.371 64 2HG1 ILE 10 HG11 ILE 10 7.696 7.307 -2.099 65 1HG2 ILE 10 HG21 ILE 10 8.997 5.522 -0.727 66 2HG2 ILE 10 HG22 ILE 10 7.327 5.036 -0.430 67 3HG2 ILE 10 HG23 ILE 10 8.438 5.257 0.923 68 1HD1 ILE 10 HD11 ILE 10 6.886 9.409 -1.784 69 2HD1 ILE 10 HD12 ILE 10 8.587 9.848 -1.658 70 3HD1 ILE 10 HD13 ILE 10 7.642 9.568 -0.198 71 H CYS 11 H CYS 11 5.466 4.734 0.146 72 HA CYS 11 HA CYS 11 4.862 4.687 3.077 73 1HB CYS 11 HB2 CYS 11 3.776 2.941 0.843 74 2HB CYS 11 HB1 CYS 11 3.354 2.791 2.546 75 H SER 12 H SER 12 4.908 2.141 3.742 76 HA SER 12 HA SER 12 7.593 1.134 2.885 77 1HB SER 12 HB2 SER 12 7.911 0.287 5.141 78 2HB SER 12 HB1 SER 12 7.488 1.994 5.248 79 HG SER 12 HG SER 12 6.253 -0.072 6.341 80 H LEU 13 H LEU 13 7.653 -1.362 3.689 81 HA LEU 13 HA LEU 13 5.697 -2.702 2.042 82 1HB LEU 13 HB2 LEU 13 8.076 -3.438 3.616 83 2HB LEU 13 HB1 LEU 13 6.842 -4.695 3.549 84 HG LEU 13 HG LEU 13 8.669 -4.560 1.657 85 1HD1 LEU 13 HD11 LEU 13 6.828 -5.260 -0.014 86 2HD1 LEU 13 HD12 LEU 13 5.702 -4.976 1.314 87 3HD1 LEU 13 HD13 LEU 13 6.970 -6.191 1.476 88 1HD2 LEU 13 HD21 LEU 13 6.686 -2.881 0.211 89 2HD2 LEU 13 HD22 LEU 13 8.440 -2.948 0.039 90 3HD2 LEU 13 HD23 LEU 13 7.719 -2.032 1.361 91 H TYR 14 H TYR 14 5.860 -1.870 5.415 92 HA TYR 14 HA TYR 14 3.921 -3.836 6.300 93 1HB TYR 14 HB2 TYR 14 5.550 -2.639 7.815 94 2HB TYR 14 HB1 TYR 14 4.598 -1.173 7.589 95 HD1 TYR 14 HD1 TYR 14 4.444 -4.686 8.831 96 HD2 TYR 14 HD2 TYR 14 2.568 -0.818 8.787 97 HE1 TYR 14 HE1 TYR 14 2.887 -5.418 10.622 98 HE2 TYR 14 HE2 TYR 14 1.011 -1.553 10.578 99 HH TYR 14 HH TYR 14 0.295 -4.471 11.304 100 H GLN 15 H GLN 15 3.766 -0.522 5.069 101 HA GLN 15 HA GLN 15 0.954 -0.206 5.675 102 1HB GLN 15 HB2 GLN 15 2.740 1.285 3.730 103 2HB GLN 15 HB1 GLN 15 1.112 1.785 4.186 104 1HG GLN 15 HG2 GLN 15 2.117 1.519 6.644 105 2HG GLN 15 HG1 GLN 15 3.630 1.830 5.792 106 1HE2 GLN 15 HE21 GLN 15 0.856 3.334 7.143 107 2HE2 GLN 15 HE22 GLN 15 1.097 4.884 6.493 108 H LEU 16 H LEU 16 2.645 -0.655 2.528 109 HA LEU 16 HA LEU 16 0.314 -1.078 0.999 110 1HB LEU 16 HB2 LEU 16 3.149 -2.005 0.759 111 2HB LEU 16 HB1 LEU 16 1.944 -2.764 -0.271 112 HG LEU 16 HG LEU 16 2.102 -1.017 -1.690 113 1HD1 LEU 16 HD11 LEU 16 1.303 0.694 0.684 114 2HD1 LEU 16 HD12 LEU 16 0.227 0.028 -0.545 115 3HD1 LEU 16 HD13 LEU 16 1.393 1.280 -0.977 116 1HD2 LEU 16 HD21 LEU 16 4.166 -0.181 -1.515 117 2HD2 LEU 16 HD22 LEU 16 4.197 -0.540 0.211 118 3HD2 LEU 16 HD23 LEU 16 3.555 1.001 -0.358 119 H GLU 17 H GLU 17 1.707 -3.000 3.481 120 HA GLU 17 HA GLU 17 0.544 -5.546 2.686 121 1HB GLU 17 HB2 GLU 17 1.726 -4.456 5.241 122 2HB GLU 17 HB1 GLU 17 0.892 -6.007 5.233 123 1HG GLU 17 HG2 GLU 17 3.010 -5.459 3.179 124 2HG GLU 17 HG1 GLU 17 3.483 -5.922 4.814 125 H ASN 18 H ASN 18 -0.376 -2.829 4.739 126 HA ASN 18 HA ASN 18 -2.728 -3.951 5.869 127 1HB ASN 18 HB2 ASN 18 -2.336 -1.040 5.184 128 2HB ASN 18 HB1 ASN 18 -3.219 -1.735 6.541 129 1HD2 ASN 18 HD21 ASN 18 -0.874 -3.791 6.770 130 2HD2 ASN 18 HD22 ASN 18 0.317 -2.926 7.610 131 H TYR 19 H TYR 19 -2.003 -3.049 2.674 132 HA TYR 19 HA TYR 19 -4.888 -2.757 2.036 133 1HB TYR 19 HB2 TYR 19 -2.421 -2.069 0.416 134 2HB TYR 19 HB1 TYR 19 -4.085 -1.873 -0.152 135 HD1 TYR 19 HD1 TYR 19 -1.487 -0.591 2.073 136 HD2 TYR 19 HD2 TYR 19 -5.635 -0.307 0.994 137 HE1 TYR 19 HE1 TYR 19 -1.666 1.532 3.336 138 HE2 TYR 19 HE2 TYR 19 -5.819 1.814 2.262 139 HH TYR 19 HH TYR 19 -3.024 3.472 3.489 140 H CYS 20 H CYS 20 -2.486 -5.065 2.133 141 HA CYS 20 HA CYS 20 -3.141 -6.560 -0.271 142 1HB CYS 20 HB2 CYS 20 -1.702 -7.197 2.302 143 2HB CYS 20 HB1 CYS 20 -1.924 -8.389 1.057 144 H ASN 21 H ASN 21 -4.166 -8.868 0.060 145 HA ASN 21 HA ASN 21 -6.779 -8.670 1.016 146 1HB ASN 21 HB2 ASN 21 -6.094 -10.599 -0.289 147 2HB ASN 21 HB1 ASN 21 -5.005 -11.130 0.995 148 1HD2 ASN 21 HD21 ASN 21 -8.436 -9.997 1.007 149 2HD2 ASN 21 HD22 ASN 21 -9.031 -11.349 1.843 150 1H PHE 1 HT1 PHE 1 10.438 -1.411 1.955 151 2H PHE 1 HT2 PHE 1 9.856 -2.918 1.430 152 3H PHE 1 HT3 PHE 1 9.554 -1.521 0.513 153 HA PHE 1 HA PHE 1 11.955 -3.158 0.689 154 1HB PHE 1 HB2 PHE 1 10.750 -1.378 -1.458 155 2HB PHE 1 HB1 PHE 1 12.112 -2.474 -1.683 156 HD1 PHE 1 HD1 PHE 1 9.052 -2.326 -2.815 157 HD2 PHE 1 HD2 PHE 1 11.211 -4.801 -0.042 158 HE1 PHE 1 HE1 PHE 1 7.467 -4.185 -3.238 159 HE2 PHE 1 HE2 PHE 1 9.624 -6.660 -0.466 160 HZ PHE 1 HZ PHE 1 7.752 -6.351 -2.065 161 H VAL 2 H VAL 2 11.763 0.004 -0.860 162 HA VAL 2 HA VAL 2 13.411 1.315 1.162 163 HB VAL 2 HB VAL 2 15.139 -0.003 0.049 164 1HG1 VAL 2 HG11 VAL 2 14.798 1.301 -2.577 165 2HG1 VAL 2 HG12 VAL 2 13.523 0.157 -2.157 166 3HG1 VAL 2 HG13 VAL 2 15.205 -0.371 -2.194 167 1HG2 VAL 2 HG21 VAL 2 16.479 1.800 0.199 168 2HG2 VAL 2 HG22 VAL 2 15.055 2.840 0.156 169 3HG2 VAL 2 HG23 VAL 2 15.873 2.401 -1.345 170 H ASN 3 H ASN 3 11.873 2.994 1.096 171 HA ASN 3 HA ASN 3 10.756 4.873 0.239 172 1HB ASN 3 HB2 ASN 3 13.435 4.822 -1.028 173 2HB ASN 3 HB1 ASN 3 12.234 5.823 -1.846 174 1HD2 ASN 3 HD21 ASN 3 12.733 7.934 -1.151 175 2HD2 ASN 3 HD22 ASN 3 12.883 8.394 0.477 176 H GLN 4 H GLN 4 9.023 3.504 -0.562 177 HA GLN 4 HA GLN 4 9.147 2.865 -3.466 178 1HB GLN 4 HB2 GLN 4 8.393 1.263 -1.466 179 2HB GLN 4 HB1 GLN 4 6.842 2.052 -1.754 180 1HG GLN 4 HG2 GLN 4 6.969 0.052 -3.130 181 2HG GLN 4 HG1 GLN 4 7.050 1.470 -4.174 182 1HE2 GLN 4 HE21 GLN 4 8.563 1.103 -5.798 183 2HE2 GLN 4 HE22 GLN 4 10.061 0.335 -5.581 184 H HIS 5 H HIS 5 8.468 4.608 -4.649 185 HA HIS 5 HA HIS 5 6.186 6.256 -3.688 186 1HB HIS 5 HB2 HIS 5 7.653 6.637 -6.301 187 2HB HIS 5 HB1 HIS 5 6.830 7.849 -5.321 188 HD2 HIS 5 HD2 HIS 5 10.086 5.594 -4.942 189 HE1 HIS 5 HE1 HIS 5 10.594 9.200 -2.796 190 HE2 HIS 5 HE2 HIS 5 11.717 7.022 -3.504 191 H LEU 6 H LEU 6 4.267 5.173 -4.127 192 HA LEU 6 HA LEU 6 4.022 3.926 -6.837 193 1HB LEU 6 HB2 LEU 6 3.029 3.146 -4.141 194 2HB LEU 6 HB1 LEU 6 2.084 2.723 -5.558 195 HG LEU 6 HG LEU 6 3.665 1.225 -6.335 196 1HD1 LEU 6 HD11 LEU 6 5.482 2.807 -6.638 197 2HD1 LEU 6 HD12 LEU 6 6.107 1.417 -5.754 198 3HD1 LEU 6 HD13 LEU 6 5.735 2.911 -4.896 199 1HD2 LEU 6 HD21 LEU 6 3.108 0.244 -4.257 200 2HD2 LEU 6 HD22 LEU 6 4.026 1.444 -3.347 201 3HD2 LEU 6 HD23 LEU 6 4.871 0.207 -4.277 202 H CYS 7 H CYS 7 2.577 4.791 -8.181 203 HA CYS 7 HA CYS 7 0.159 6.055 -7.022 204 1HB CYS 7 HB2 CYS 7 0.879 7.456 -9.430 205 2HB CYS 7 HB1 CYS 7 0.599 8.112 -7.823 206 H GLY 8 H GLY 8 -1.656 6.041 -8.547 207 1HA GLY 8 HA2 GLY 8 -3.003 4.769 -10.011 208 2HA GLY 8 HA1 GLY 8 -1.752 5.214 -11.170 209 H SER 9 H SER 9 -1.440 3.356 -12.311 210 HA SER 9 HA SER 9 -1.697 0.708 -11.370 211 1HB SER 9 HB2 SER 9 -0.146 0.151 -13.326 212 2HB SER 9 HB1 SER 9 -1.611 1.044 -13.723 213 HG SER 9 HG SER 9 -0.031 2.179 -14.688 214 H ASP 10 H ASP 10 1.277 2.705 -11.587 215 HA ASP 10 HA ASP 10 3.182 0.857 -10.763 216 1HB ASP 10 HB2 ASP 10 2.863 3.748 -9.897 217 2HB ASP 10 HB1 ASP 10 4.299 2.782 -9.557 218 H LEU 11 H LEU 11 0.561 2.231 -8.925 219 HA LEU 11 HA LEU 11 1.557 1.279 -6.350 220 1HB LEU 11 HB2 LEU 11 0.061 3.265 -6.560 221 2HB LEU 11 HB1 LEU 11 -1.215 2.206 -7.151 222 HG LEU 11 HG LEU 11 -1.247 0.991 -5.036 223 1HD1 LEU 11 HD11 LEU 11 1.191 1.223 -4.524 224 2HD1 LEU 11 HD12 LEU 11 0.167 1.665 -3.159 225 3HD1 LEU 11 HD13 LEU 11 0.915 2.923 -4.141 226 1HD2 LEU 11 HD21 LEU 11 -1.530 3.218 -3.540 227 2HD2 LEU 11 HD22 LEU 11 -2.719 2.715 -4.741 228 3HD2 LEU 11 HD23 LEU 11 -1.518 3.943 -5.147 229 H THR 12 H THR 12 -1.096 0.315 -8.559 230 HA THR 12 HA THR 12 -1.817 -2.039 -7.116 231 HB THR 12 HB THR 12 -1.897 -1.477 -10.094 232 HG1 THR 12 HG1 THR 12 -4.268 -1.497 -9.232 233 1HG2 THR 12 HG21 THR 12 -2.624 -3.574 -10.432 234 2HG2 THR 12 HG22 THR 12 -3.825 -3.407 -9.151 235 3HG2 THR 12 HG23 THR 12 -2.189 -3.940 -8.763 236 H GLU 13 H GLU 13 0.617 -1.409 -9.615 237 HA GLU 13 HA GLU 13 1.559 -4.014 -10.068 238 1HB GLU 13 HB2 GLU 13 2.562 -1.308 -10.405 239 2HB GLU 13 HB1 GLU 13 3.861 -2.403 -9.931 240 1HG GLU 13 HG2 GLU 13 2.617 -3.955 -11.758 241 2HG GLU 13 HG1 GLU 13 2.225 -2.364 -12.412 242 H ALA 14 H ALA 14 2.879 -1.697 -7.658 243 HA ALA 14 HA ALA 14 4.504 -3.590 -6.291 244 1HB ALA 14 HB1 ALA 14 3.391 -0.912 -5.730 245 2HB ALA 14 HB2 ALA 14 5.007 -1.540 -5.418 246 3HB ALA 14 HB3 ALA 14 3.696 -1.884 -4.290 247 H LEU 15 H LEU 15 1.251 -2.394 -5.415 248 HA LEU 15 HA LEU 15 0.624 -4.090 -3.303 249 1HB LEU 15 HB2 LEU 15 -0.955 -2.874 -5.537 250 2HB LEU 15 HB1 LEU 15 -1.743 -4.099 -4.551 251 HG LEU 15 HG LEU 15 -0.360 -1.646 -3.432 252 1HD1 LEU 15 HD11 LEU 15 -2.272 -0.480 -3.724 253 2HD1 LEU 15 HD12 LEU 15 -3.250 -1.810 -3.102 254 3HD1 LEU 15 HD13 LEU 15 -2.794 -1.772 -4.805 255 1HD2 LEU 15 HD21 LEU 15 -0.403 -3.289 -1.734 256 2HD2 LEU 15 HD22 LEU 15 -1.965 -3.916 -2.259 257 3HD2 LEU 15 HD23 LEU 15 -1.870 -2.358 -1.440 258 H TYR 16 H TYR 16 0.137 -4.751 -6.764 259 HA TYR 16 HA TYR 16 -0.815 -7.376 -6.654 260 1HB TYR 16 HB2 TYR 16 -0.063 -5.687 -8.633 261 2HB TYR 16 HB1 TYR 16 1.263 -6.840 -8.687 262 HD1 TYR 16 HD1 TYR 16 -1.835 -6.157 -10.041 263 HD2 TYR 16 HD2 TYR 16 0.377 -9.401 -8.303 264 HE1 TYR 16 HE1 TYR 16 -3.296 -7.776 -11.218 265 HE2 TYR 16 HE2 TYR 16 -1.080 -11.026 -9.480 266 HH TYR 16 HH TYR 16 -2.558 -10.888 -11.719 267 H LEU 17 H LEU 17 2.494 -6.222 -6.219 268 HA LEU 17 HA LEU 17 3.518 -8.979 -6.190 269 1HB LEU 17 HB2 LEU 17 4.679 -6.751 -7.041 270 2HB LEU 17 HB1 LEU 17 5.187 -6.644 -5.353 271 HG LEU 17 HG LEU 17 5.617 -9.028 -7.184 272 1HD1 LEU 17 HD11 LEU 17 7.519 -6.946 -6.071 273 2HD1 LEU 17 HD12 LEU 17 7.091 -7.184 -7.766 274 3HD1 LEU 17 HD13 LEU 17 8.023 -8.412 -6.912 275 1HD2 LEU 17 HD21 LEU 17 7.179 -9.606 -5.148 276 2HD2 LEU 17 HD22 LEU 17 5.455 -9.964 -5.043 277 3HD2 LEU 17 HD23 LEU 17 6.106 -8.525 -4.258 278 H VAL 18 H VAL 18 3.617 -6.242 -3.851 279 HA VAL 18 HA VAL 18 4.623 -7.489 -1.621 280 HB VAL 18 HB VAL 18 2.463 -6.240 -0.451 281 1HG1 VAL 18 HG11 VAL 18 4.632 -4.467 -1.395 282 2HG1 VAL 18 HG12 VAL 18 5.141 -5.913 -0.522 283 3HG1 VAL 18 HG13 VAL 18 4.044 -4.762 0.240 284 1HG2 VAL 18 HG21 VAL 18 1.968 -5.702 -3.031 285 2HG2 VAL 18 HG22 VAL 18 3.124 -4.409 -2.707 286 3HG2 VAL 18 HG23 VAL 18 1.645 -4.529 -1.754 287 H CYS 19 H CYS 19 1.301 -7.752 -2.729 288 HA CYS 19 HA CYS 19 0.823 -9.908 -0.739 289 1HB CYS 19 HB2 CYS 19 -1.370 -9.218 -2.582 290 2HB CYS 19 HB1 CYS 19 -1.375 -9.327 -0.831 291 H GLY 20 H GLY 20 -0.151 -9.428 -4.131 292 1HA GLY 20 HA2 GLY 20 -0.087 -10.903 -5.962 293 2HA GLY 20 HA1 GLY 20 1.286 -11.677 -5.168 294 H GLU 21 H GLU 21 0.956 -13.675 -4.254 295 HA GLU 21 HA GLU 21 -1.383 -15.165 -4.757 296 1HB GLU 21 HB2 GLU 21 0.592 -15.511 -2.475 297 2HB GLU 21 HB1 GLU 21 -0.567 -16.729 -3.011 298 1HG GLU 21 HG2 GLU 21 0.866 -15.798 -5.303 299 2HG GLU 21 HG1 GLU 21 2.039 -16.209 -4.050 300 H ARG 22 H ARG 22 -0.652 -12.854 -2.281 301 HA ARG 22 HA ARG 22 -2.907 -13.616 -0.582 302 1HB ARG 22 HB2 ARG 22 -1.150 -11.146 -0.568 303 2HB ARG 22 HB1 ARG 22 -2.315 -11.574 0.686 304 1HG ARG 22 HG2 ARG 22 0.154 -13.136 -0.119 305 2HG ARG 22 HG1 ARG 22 -0.131 -12.319 1.419 306 1HD ARG 22 HD2 ARG 22 -0.911 -14.315 2.151 307 2HD ARG 22 HD1 ARG 22 -2.342 -13.965 1.183 308 HE ARG 22 HE ARG 22 -0.633 -15.118 -0.642 309 1HH1 ARG 22 HH21 ARG 22 -3.060 -16.574 0.242 310 2HH1 ARG 22 HH22 ARG 22 -2.403 -18.003 0.968 311 1HH2 ARG 22 HH11 ARG 22 0.794 -16.696 1.278 312 2HH2 ARG 22 HH12 ARG 22 -0.222 -18.071 1.555 313 H GLY 23 H GLY 23 -2.753 -12.234 -3.553 314 1HA GLY 23 HA2 GLY 23 -4.106 -10.700 -4.733 315 2HA GLY 23 HA1 GLY 23 -5.388 -11.518 -3.845 316 H PHE 24 H PHE 24 -3.520 -8.605 -4.101 317 HA PHE 24 HA PHE 24 -4.174 -7.405 -1.574 318 1HB PHE 24 HB2 PHE 24 -3.663 -5.283 -2.698 319 2HB PHE 24 HB1 PHE 24 -2.485 -6.496 -3.145 320 HD1 PHE 24 HD1 PHE 24 -5.792 -5.177 -4.367 321 HD2 PHE 24 HD2 PHE 24 -1.939 -6.794 -5.354 322 HE1 PHE 24 HE1 PHE 24 -6.281 -4.865 -6.775 323 HE2 PHE 24 HE2 PHE 24 -2.426 -6.482 -7.766 324 HZ PHE 24 HZ PHE 24 -4.597 -5.518 -8.478 325 H PHE 25 H PHE 25 -5.665 -5.178 -1.864 326 HA PHE 25 HA PHE 25 -8.098 -5.826 -3.411 327 1HB PHE 25 HB2 PHE 25 -9.480 -6.280 -1.663 328 2HB PHE 25 HB1 PHE 25 -7.992 -6.667 -0.808 329 HD1 PHE 25 HD1 PHE 25 -10.859 -4.490 -0.972 330 HD2 PHE 25 HD2 PHE 25 -6.849 -4.811 0.535 331 HE1 PHE 25 HE1 PHE 25 -11.316 -2.656 0.634 332 HE2 PHE 25 HE2 PHE 25 -7.303 -2.977 2.142 333 HZ PHE 25 HZ PHE 25 -9.538 -1.900 2.194 334 H TYR 26 H TYR 26 -5.954 -3.699 -3.284 335 HA TYR 26 HA TYR 26 -6.838 -1.253 -2.267 336 1HB TYR 26 HB2 TYR 26 -4.825 -0.838 -3.210 337 2HB TYR 26 HB1 TYR 26 -4.995 -2.168 -4.348 338 HD1 TYR 26 HD1 TYR 26 -4.860 1.354 -3.987 339 HD2 TYR 26 HD2 TYR 26 -6.669 -1.745 -6.352 340 HE1 TYR 26 HE1 TYR 26 -5.254 2.984 -5.815 341 HE2 TYR 26 HE2 TYR 26 -7.066 -0.116 -8.180 342 HH TYR 26 HH TYR 26 -7.259 2.243 -8.532 343 H THR 27 H THR 27 -8.030 0.507 -3.311 344 HA THR 27 HA THR 27 -9.750 -0.259 -5.596 345 HB THR 27 HB THR 27 -11.133 -0.996 -3.791 346 HG1 THR 27 HG1 THR 27 -12.832 0.271 -4.158 347 1HG2 THR 27 HG21 THR 27 -10.941 1.632 -2.363 348 2HG2 THR 27 HG22 THR 27 -9.648 0.451 -2.148 349 3HG2 THR 27 HG23 THR 27 -11.305 0.031 -1.716 350 H LYS 28 H LYS 28 -8.799 2.221 -3.231 351 HA LYS 28 HA LYS 28 -8.613 4.549 -3.470 352 1HB LYS 28 HB2 LYS 28 -7.040 3.811 -5.275 353 2HB LYS 28 HB1 LYS 28 -8.385 3.857 -6.416 354 1HG LYS 28 HG2 LYS 28 -8.640 6.319 -5.340 355 2HG LYS 28 HG1 LYS 28 -6.900 6.100 -5.149 356 1HD LYS 28 HD2 LYS 28 -6.541 5.892 -7.456 357 2HD LYS 28 HD1 LYS 28 -8.220 5.453 -7.774 358 1HE LYS 28 HE2 LYS 28 -8.588 7.614 -8.296 359 2HE LYS 28 HE1 LYS 28 -8.360 7.988 -6.587 360 1HZ LYS 28 HZ1 LYS 28 -5.955 7.637 -8.197 361 2HZ LYS 28 HZ2 LYS 28 -6.266 8.722 -6.927 362 3HZ LYS 28 HZ3 LYS 28 -6.864 9.040 -8.485 363 HA PRO 29 HA PRO 29 -13.015 4.921 -4.631 364 1HB PRO 29 HB2 PRO 29 -13.701 6.279 -2.339 365 2HB PRO 29 HB1 PRO 29 -13.671 4.511 -2.462 366 1HG PRO 29 HG2 PRO 29 -11.737 6.330 -1.104 367 2HG PRO 29 HG1 PRO 29 -12.122 4.637 -0.753 368 1HD PRO 29 HD2 PRO 29 -9.839 5.562 -2.147 369 2HD PRO 29 HD1 PRO 29 -10.410 3.882 -2.078 370 H THR 30 H THR 30 -10.713 7.313 -3.395 371 HA THR 30 HA THR 30 -12.238 9.461 -4.793 372 HB THR 30 HB THR 30 -9.912 9.731 -2.867 373 HG1 THR 30 HG1 THR 30 -12.068 8.825 -2.155 374 1HG2 THR 30 HG21 THR 30 -10.839 12.077 -2.701 375 2HG2 THR 30 HG22 THR 30 -11.882 11.689 -4.070 376 3HG2 THR 30 HG23 THR 30 -10.130 11.678 -4.266 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -8.456 7.930 -3.546 2 2H GLY 1 HT2 GLY 1 -6.863 8.475 -3.316 3 3H GLY 1 HT3 GLY 1 -8.075 8.894 -2.203 4 1HA GLY 1 HA1 GLY 1 -7.799 6.943 -1.128 5 2HA GLY 1 HA2 GLY 1 -7.808 5.981 -2.639 6 H ILE 2 H ILE 2 -5.819 4.937 -1.892 7 HA ILE 2 HA ILE 2 -4.083 6.279 0.117 8 HB ILE 2 HB ILE 2 -4.611 4.150 0.926 9 1HG1 ILE 2 HG12 ILE 2 -2.050 4.613 0.491 10 2HG1 ILE 2 HG11 ILE 2 -2.574 3.023 1.040 11 1HG2 ILE 2 HG21 ILE 2 -4.402 2.116 -0.697 12 2HG2 ILE 2 HG22 ILE 2 -4.526 3.334 -1.966 13 3HG2 ILE 2 HG23 ILE 2 -5.831 3.145 -0.795 14 1HD1 ILE 2 HD11 ILE 2 -2.590 3.407 -1.894 15 2HD1 ILE 2 HD12 ILE 2 -2.056 2.023 -0.942 16 3HD1 ILE 2 HD13 ILE 2 -0.995 3.417 -1.142 17 H VAL 3 H VAL 3 -4.281 6.032 -3.163 18 HA VAL 3 HA VAL 3 -1.714 5.260 -4.042 19 HB VAL 3 HB VAL 3 -3.682 7.292 -5.103 20 1HG1 VAL 3 HG11 VAL 3 -2.053 6.809 -7.218 21 2HG1 VAL 3 HG12 VAL 3 -0.874 6.752 -5.908 22 3HG1 VAL 3 HG13 VAL 3 -1.855 8.197 -6.149 23 1HG2 VAL 3 HG21 VAL 3 -3.692 4.554 -5.139 24 2HG2 VAL 3 HG22 VAL 3 -2.864 4.914 -6.655 25 3HG2 VAL 3 HG23 VAL 3 -4.478 5.560 -6.355 26 H GLU 4 H GLU 4 -2.727 8.675 -3.725 27 HA GLU 4 HA GLU 4 -0.142 9.733 -3.794 28 1HB GLU 4 HB2 GLU 4 -1.123 11.756 -3.197 29 2HB GLU 4 HB1 GLU 4 -2.526 10.869 -3.777 30 1HG GLU 4 HG2 GLU 4 -2.781 10.097 -1.304 31 2HG GLU 4 HG1 GLU 4 -1.715 11.453 -0.934 32 H GLN 5 H GLN 5 -1.844 8.222 -1.129 33 HA GLN 5 HA GLN 5 -0.294 9.183 1.041 34 1HB GLN 5 HB2 GLN 5 -2.347 7.746 1.242 35 2HB GLN 5 HB1 GLN 5 -1.371 6.365 0.736 36 1HG GLN 5 HG2 GLN 5 -0.750 6.096 2.884 37 2HG GLN 5 HG1 GLN 5 0.106 7.634 2.774 38 1HE2 GLN 5 HE21 GLN 5 -2.061 9.438 2.563 39 2HE2 GLN 5 HE22 GLN 5 -2.980 9.374 3.989 40 H CYS 6 H CYS 6 0.376 6.626 -1.317 41 HA CYS 6 HA CYS 6 3.033 6.227 -0.023 42 1HB CYS 6 HB2 CYS 6 1.438 4.512 -1.931 43 2HB CYS 6 HB1 CYS 6 3.137 4.207 -1.571 44 H CYS 7 H CYS 7 1.541 7.835 -2.591 45 HA CYS 7 HA CYS 7 4.016 7.734 -4.241 46 1HB CYS 7 HB2 CYS 7 1.835 7.379 -5.400 47 2HB CYS 7 HB1 CYS 7 1.326 8.987 -4.909 48 H THR 8 H THR 8 1.748 10.489 -3.879 49 HA THR 8 HA THR 8 3.675 12.515 -3.921 50 HB THR 8 HB THR 8 1.343 12.611 -1.993 51 HG1 THR 8 HG1 THR 8 1.382 12.430 -4.764 52 1HG2 THR 8 HG21 THR 8 3.138 14.526 -3.348 53 2HG2 THR 8 HG22 THR 8 2.265 14.684 -1.823 54 3HG2 THR 8 HG23 THR 8 1.433 14.973 -3.351 55 H SER 9 H SER 9 2.669 10.412 -1.339 56 HA SER 9 HA SER 9 4.999 11.315 0.295 57 1HB SER 9 HB2 SER 9 2.186 10.593 1.106 58 2HB SER 9 HB1 SER 9 3.518 10.311 2.224 59 HG SER 9 HG SER 9 3.265 12.353 2.673 60 H ILE 10 H ILE 10 6.448 9.637 0.541 61 HA ILE 10 HA ILE 10 5.743 7.042 -0.602 62 HB ILE 10 HB ILE 10 8.262 8.159 0.646 63 1HG1 ILE 10 HG12 ILE 10 9.046 7.326 -1.719 64 2HG1 ILE 10 HG11 ILE 10 7.326 7.352 -2.102 65 1HG2 ILE 10 HG21 ILE 10 7.439 5.344 0.184 66 2HG2 ILE 10 HG22 ILE 10 8.628 5.996 1.312 67 3HG2 ILE 10 HG23 ILE 10 9.049 5.781 -0.387 68 1HD1 ILE 10 HD11 ILE 10 7.889 9.510 -2.703 69 2HD1 ILE 10 HD12 ILE 10 9.172 9.621 -1.498 70 3HD1 ILE 10 HD13 ILE 10 7.486 9.775 -1.006 71 H CYS 11 H CYS 11 5.516 5.076 0.539 72 HA CYS 11 HA CYS 11 5.283 5.402 3.512 73 1HB CYS 11 HB2 CYS 11 3.485 3.703 3.468 74 2HB CYS 11 HB1 CYS 11 3.058 5.109 2.499 75 H SER 12 H SER 12 4.952 2.709 4.180 76 HA SER 12 HA SER 12 7.611 1.623 3.352 77 1HB SER 12 HB2 SER 12 7.403 0.307 5.525 78 2HB SER 12 HB1 SER 12 7.611 2.047 5.699 79 HG SER 12 HG SER 12 5.810 1.978 6.767 80 H LEU 13 H LEU 13 7.777 -0.716 3.144 81 HA LEU 13 HA LEU 13 5.819 -1.887 1.486 82 1HB LEU 13 HB2 LEU 13 8.217 -2.795 2.943 83 2HB LEU 13 HB1 LEU 13 7.029 -4.065 2.651 84 HG LEU 13 HG LEU 13 8.735 -3.773 0.806 85 1HD1 LEU 13 HD11 LEU 13 6.967 -3.742 -1.012 86 2HD1 LEU 13 HD12 LEU 13 5.788 -3.365 0.242 87 3HD1 LEU 13 HD13 LEU 13 6.668 -4.892 0.291 88 1HD2 LEU 13 HD21 LEU 13 9.073 -1.742 -0.124 89 2HD2 LEU 13 HD22 LEU 13 8.064 -1.071 1.158 90 3HD2 LEU 13 HD23 LEU 13 7.344 -1.516 -0.389 91 H TYR 14 H TYR 14 6.242 -2.085 5.003 92 HA TYR 14 HA TYR 14 4.349 -4.097 5.567 93 1HB TYR 14 HB2 TYR 14 5.950 -2.909 7.184 94 2HB TYR 14 HB1 TYR 14 4.749 -1.623 7.267 95 HD1 TYR 14 HD1 TYR 14 4.280 -5.337 7.048 96 HD2 TYR 14 HD2 TYR 14 3.793 -1.776 9.407 97 HE1 TYR 14 HE1 TYR 14 3.016 -6.633 8.750 98 HE2 TYR 14 HE2 TYR 14 2.531 -3.075 11.108 99 HH TYR 14 HH TYR 14 1.366 -6.224 10.516 100 H GLN 15 H GLN 15 3.902 -0.702 4.782 101 HA GLN 15 HA GLN 15 1.111 -0.618 5.539 102 1HB GLN 15 HB2 GLN 15 2.720 1.131 3.647 103 2HB GLN 15 HB1 GLN 15 1.096 1.507 4.229 104 1HG GLN 15 HG2 GLN 15 2.529 0.874 6.539 105 2HG GLN 15 HG1 GLN 15 3.656 1.829 5.574 106 1HE2 GLN 15 HE21 GLN 15 0.082 1.985 6.108 107 2HE2 GLN 15 HE22 GLN 15 0.065 3.639 6.487 108 H LEU 16 H LEU 16 2.677 -0.720 2.281 109 HA LEU 16 HA LEU 16 0.321 -1.074 0.804 110 1HB LEU 16 HB2 LEU 16 3.160 -1.855 0.407 111 2HB LEU 16 HB1 LEU 16 1.992 -2.787 -0.526 112 HG LEU 16 HG LEU 16 2.557 -0.936 -1.920 113 1HD1 LEU 16 HD11 LEU 16 0.477 -0.095 -2.359 114 2HD1 LEU 16 HD12 LEU 16 0.176 0.332 -0.674 115 3HD1 LEU 16 HD13 LEU 16 0.000 -1.339 -1.206 116 1HD2 LEU 16 HD21 LEU 16 1.908 1.074 0.199 117 2HD2 LEU 16 HD22 LEU 16 2.984 1.221 -1.190 118 3HD2 LEU 16 HD23 LEU 16 3.488 0.290 0.221 119 H GLU 17 H GLU 17 1.898 -3.225 3.024 120 HA GLU 17 HA GLU 17 0.427 -5.627 2.201 121 1HB GLU 17 HB2 GLU 17 1.741 -5.034 4.883 122 2HB GLU 17 HB1 GLU 17 1.246 -6.615 4.291 123 1HG GLU 17 HG2 GLU 17 3.650 -5.006 3.619 124 2HG GLU 17 HG1 GLU 17 3.462 -6.748 3.741 125 H ASN 18 H ASN 18 0.271 -3.193 4.750 126 HA ASN 18 HA ASN 18 -2.071 -4.083 6.051 127 1HB ASN 18 HB2 ASN 18 -1.324 -2.382 7.343 128 2HB ASN 18 HB1 ASN 18 -0.372 -1.737 6.019 129 1HD2 ASN 18 HD21 ASN 18 -2.000 -0.801 4.223 130 2HD2 ASN 18 HD22 ASN 18 -3.144 0.281 4.835 131 H TYR 19 H TYR 19 -1.596 -2.606 2.967 132 HA TYR 19 HA TYR 19 -4.490 -1.989 2.704 133 1HB TYR 19 HB2 TYR 19 -2.136 -1.441 0.866 134 2HB TYR 19 HB1 TYR 19 -3.809 -0.995 0.509 135 HD1 TYR 19 HD1 TYR 19 -0.795 0.057 2.070 136 HD2 TYR 19 HD2 TYR 19 -5.070 0.318 2.384 137 HE1 TYR 19 HE1 TYR 19 -0.565 2.047 3.524 138 HE2 TYR 19 HE2 TYR 19 -4.848 2.308 3.835 139 HH TYR 19 HH TYR 19 -2.785 4.207 4.040 140 H CYS 20 H CYS 20 -2.290 -4.475 2.133 141 HA CYS 20 HA CYS 20 -3.417 -5.615 -0.260 142 1HB CYS 20 HB2 CYS 20 -1.752 -6.619 2.031 143 2HB CYS 20 HB1 CYS 20 -2.295 -7.696 0.794 144 H ASN 21 H ASN 21 -4.027 -8.290 0.745 145 HA ASN 21 HA ASN 21 -6.465 -7.691 2.380 146 1HB ASN 21 HB2 ASN 21 -6.684 -8.406 -0.172 147 2HB ASN 21 HB1 ASN 21 -6.436 -10.017 0.502 148 1HD2 ASN 21 HD21 ASN 21 -8.718 -7.372 0.251 149 2HD2 ASN 21 HD22 ASN 21 -9.973 -8.119 1.114 150 1H PHE 1 HT1 PHE 1 11.453 -4.507 -0.658 151 2H PHE 1 HT2 PHE 1 10.215 -3.417 -0.256 152 3H PHE 1 HT3 PHE 1 11.558 -3.594 0.769 153 HA PHE 1 HA PHE 1 12.918 -2.862 -1.281 154 1HB PHE 1 HB2 PHE 1 10.539 -1.219 -1.952 155 2HB PHE 1 HB1 PHE 1 11.797 -1.858 -3.006 156 HD1 PHE 1 HD1 PHE 1 8.423 -2.012 -2.478 157 HD2 PHE 1 HD2 PHE 1 11.789 -4.661 -2.832 158 HE1 PHE 1 HE1 PHE 1 6.907 -3.848 -3.170 159 HE2 PHE 1 HE2 PHE 1 10.271 -6.496 -3.524 160 HZ PHE 1 HZ PHE 1 7.829 -6.089 -3.695 161 H VAL 2 H VAL 2 12.842 -0.188 -1.533 162 HA VAL 2 HA VAL 2 12.413 0.841 1.248 163 HB VAL 2 HB VAL 2 14.396 2.448 0.423 164 1HG1 VAL 2 HG11 VAL 2 14.377 0.937 2.423 165 2HG1 VAL 2 HG12 VAL 2 15.952 1.019 1.633 166 3HG1 VAL 2 HG13 VAL 2 14.914 -0.384 1.383 167 1HG2 VAL 2 HG21 VAL 2 14.308 0.960 -1.786 168 2HG2 VAL 2 HG22 VAL 2 15.332 -0.109 -0.828 169 3HG2 VAL 2 HG23 VAL 2 15.845 1.547 -1.151 170 H ASN 3 H ASN 3 13.524 2.639 -1.604 171 HA ASN 3 HA ASN 3 11.773 4.810 -1.292 172 1HB ASN 3 HB2 ASN 3 12.621 3.708 -3.986 173 2HB ASN 3 HB1 ASN 3 12.260 5.385 -3.580 174 1HD2 ASN 3 HD21 ASN 3 14.855 3.498 -4.250 175 2HD2 ASN 3 HD22 ASN 3 16.024 4.225 -3.258 176 H GLN 4 H GLN 4 9.676 4.072 -0.724 177 HA GLN 4 HA GLN 4 8.272 2.333 -2.651 178 1HB GLN 4 HB2 GLN 4 8.029 1.887 -0.235 179 2HB GLN 4 HB1 GLN 4 7.326 3.490 -0.015 180 1HG GLN 4 HG2 GLN 4 5.334 2.489 -0.399 181 2HG GLN 4 HG1 GLN 4 5.824 2.448 -2.091 182 1HE2 GLN 4 HE21 GLN 4 6.433 0.401 -2.995 183 2HE2 GLN 4 HE22 GLN 4 6.316 -1.056 -2.132 184 H HIS 5 H HIS 5 8.361 4.061 -4.324 185 HA HIS 5 HA HIS 5 6.359 6.234 -3.912 186 1HB HIS 5 HB2 HIS 5 8.321 5.778 -6.189 187 2HB HIS 5 HB1 HIS 5 7.245 7.164 -6.029 188 HD2 HIS 5 HD2 HIS 5 10.052 5.591 -3.663 189 HE1 HIS 5 HE1 HIS 5 10.265 9.814 -3.558 190 HE2 HIS 5 HE2 HIS 5 11.318 7.654 -2.703 191 H LEU 6 H LEU 6 4.482 4.958 -4.099 192 HA LEU 6 HA LEU 6 4.143 3.563 -6.719 193 1HB LEU 6 HB2 LEU 6 3.028 3.080 -3.981 194 2HB LEU 6 HB1 LEU 6 2.225 2.475 -5.418 195 HG LEU 6 HG LEU 6 3.885 0.921 -5.854 196 1HD1 LEU 6 HD11 LEU 6 5.701 2.507 -6.187 197 2HD1 LEU 6 HD12 LEU 6 6.263 1.229 -5.111 198 3HD1 LEU 6 HD13 LEU 6 5.811 2.800 -4.452 199 1HD2 LEU 6 HD21 LEU 6 3.005 0.602 -3.505 200 2HD2 LEU 6 HD22 LEU 6 4.456 1.418 -2.923 201 3HD2 LEU 6 HD23 LEU 6 4.593 -0.110 -3.793 202 H CYS 7 H CYS 7 2.746 4.503 -8.102 203 HA CYS 7 HA CYS 7 0.406 5.906 -6.946 204 1HB CYS 7 HB2 CYS 7 1.392 7.182 -9.395 205 2HB CYS 7 HB1 CYS 7 0.835 7.920 -7.902 206 H GLY 8 H GLY 8 -1.445 5.211 -7.958 207 1HA GLY 8 HA2 GLY 8 -2.808 4.059 -9.481 208 2HA GLY 8 HA1 GLY 8 -1.784 4.777 -10.724 209 H SER 9 H SER 9 -0.899 3.256 -12.029 210 HA SER 9 HA SER 9 -0.939 0.480 -11.563 211 1HB SER 9 HB2 SER 9 1.350 1.133 -13.172 212 2HB SER 9 HB1 SER 9 -0.195 0.457 -13.676 213 HG SER 9 HG SER 9 -0.981 2.476 -13.984 214 H ASP 10 H ASP 10 1.919 2.648 -11.231 215 HA ASP 10 HA ASP 10 3.753 0.800 -10.242 216 1HB ASP 10 HB2 ASP 10 3.281 3.708 -9.741 217 2HB ASP 10 HB1 ASP 10 4.369 2.868 -8.636 218 H LEU 11 H LEU 11 0.946 2.161 -8.666 219 HA LEU 11 HA LEU 11 1.603 1.060 -6.038 220 1HB LEU 11 HB2 LEU 11 0.153 3.122 -6.490 221 2HB LEU 11 HB1 LEU 11 -1.097 2.004 -7.025 222 HG LEU 11 HG LEU 11 -1.152 0.945 -4.824 223 1HD1 LEU 11 HD11 LEU 11 1.009 2.943 -4.104 224 2HD1 LEU 11 HD12 LEU 11 1.230 1.197 -4.232 225 3HD1 LEU 11 HD13 LEU 11 0.193 1.866 -2.973 226 1HD2 LEU 11 HD21 LEU 11 -2.631 2.635 -4.548 227 2HD2 LEU 11 HD22 LEU 11 -1.522 3.829 -5.224 228 3HD2 LEU 11 HD23 LEU 11 -1.377 3.347 -3.534 229 H THR 12 H THR 12 -0.750 0.297 -8.615 230 HA THR 12 HA THR 12 -1.723 -2.099 -7.402 231 HB THR 12 HB THR 12 -1.405 -1.484 -10.359 232 HG1 THR 12 HG1 THR 12 -3.224 -0.407 -10.195 233 1HG2 THR 12 HG21 THR 12 -3.664 -3.047 -9.973 234 2HG2 THR 12 HG22 THR 12 -2.486 -3.751 -8.864 235 3HG2 THR 12 HG23 THR 12 -2.109 -3.616 -10.582 236 H GLU 13 H GLU 13 0.769 -1.634 -9.921 237 HA GLU 13 HA GLU 13 1.722 -4.217 -10.197 238 1HB GLU 13 HB2 GLU 13 2.782 -1.550 -10.581 239 2HB GLU 13 HB1 GLU 13 4.049 -2.634 -10.010 240 1HG GLU 13 HG2 GLU 13 2.720 -4.199 -11.857 241 2HG GLU 13 HG1 GLU 13 2.643 -2.597 -12.591 242 H ALA 14 H ALA 14 2.981 -1.893 -7.759 243 HA ALA 14 HA ALA 14 4.513 -3.865 -6.352 244 1HB ALA 14 HB1 ALA 14 3.284 -1.404 -5.091 245 2HB ALA 14 HB2 ALA 14 4.690 -1.315 -6.152 246 3HB ALA 14 HB3 ALA 14 4.781 -2.220 -4.642 247 H LEU 15 H LEU 15 1.360 -2.385 -5.515 248 HA LEU 15 HA LEU 15 0.677 -3.956 -3.306 249 1HB LEU 15 HB2 LEU 15 -0.826 -2.562 -5.448 250 2HB LEU 15 HB1 LEU 15 -1.713 -3.824 -4.605 251 HG LEU 15 HG LEU 15 -0.222 -1.583 -3.222 252 1HD1 LEU 15 HD11 LEU 15 -2.188 -0.364 -3.115 253 2HD1 LEU 15 HD12 LEU 15 -3.206 -1.795 -3.272 254 3HD1 LEU 15 HD13 LEU 15 -2.395 -1.131 -4.689 255 1HD2 LEU 15 HD21 LEU 15 -1.940 -2.445 -1.394 256 2HD2 LEU 15 HD22 LEU 15 -0.400 -3.270 -1.630 257 3HD2 LEU 15 HD23 LEU 15 -1.872 -3.929 -2.345 258 H TYR 16 H TYR 16 -0.015 -4.660 -6.716 259 HA TYR 16 HA TYR 16 -1.204 -7.154 -6.532 260 1HB TYR 16 HB2 TYR 16 -0.279 -5.624 -8.566 261 2HB TYR 16 HB1 TYR 16 0.934 -6.896 -8.577 262 HD1 TYR 16 HD1 TYR 16 -2.041 -5.957 -10.020 263 HD2 TYR 16 HD2 TYR 16 -0.228 -9.351 -8.113 264 HE1 TYR 16 HE1 TYR 16 -3.633 -7.457 -11.186 265 HE2 TYR 16 HE2 TYR 16 -1.817 -10.857 -9.280 266 HH TYR 16 HH TYR 16 -3.211 -10.815 -11.347 267 H LEU 17 H LEU 17 2.249 -6.386 -6.234 268 HA LEU 17 HA LEU 17 2.944 -9.233 -6.045 269 1HB LEU 17 HB2 LEU 17 4.336 -7.202 -7.035 270 2HB LEU 17 HB1 LEU 17 4.892 -7.072 -5.365 271 HG LEU 17 HG LEU 17 5.002 -9.582 -7.072 272 1HD1 LEU 17 HD11 LEU 17 6.628 -7.593 -7.506 273 2HD1 LEU 17 HD12 LEU 17 7.309 -9.207 -7.309 274 3HD1 LEU 17 HD13 LEU 17 7.355 -8.061 -5.970 275 1HD2 LEU 17 HD21 LEU 17 4.817 -10.407 -4.899 276 2HD2 LEU 17 HD22 LEU 17 5.585 -8.987 -4.187 277 3HD2 LEU 17 HD23 LEU 17 6.563 -10.191 -5.026 278 H VAL 18 H VAL 18 3.428 -6.415 -3.849 279 HA VAL 18 HA VAL 18 4.340 -7.659 -1.584 280 HB VAL 18 HB VAL 18 2.367 -6.130 -0.432 281 1HG1 VAL 18 HG11 VAL 18 4.173 -4.273 -0.674 282 2HG1 VAL 18 HG12 VAL 18 5.116 -5.532 -1.472 283 3HG1 VAL 18 HG13 VAL 18 4.584 -5.753 0.194 284 1HG2 VAL 18 HG21 VAL 18 1.804 -4.315 -1.780 285 2HG2 VAL 18 HG22 VAL 18 1.745 -5.647 -2.931 286 3HG2 VAL 18 HG23 VAL 18 3.153 -4.591 -2.883 287 H CYS 19 H CYS 19 0.998 -7.667 -2.660 288 HA CYS 19 HA CYS 19 0.271 -9.534 -0.479 289 1HB CYS 19 HB2 CYS 19 -1.725 -9.095 -2.595 290 2HB CYS 19 HB1 CYS 19 -1.881 -8.923 -0.859 291 H GLY 20 H GLY 20 -0.331 -9.515 -3.979 292 1HA GLY 20 HA2 GLY 20 0.140 -11.207 -5.578 293 2HA GLY 20 HA1 GLY 20 0.895 -12.161 -4.296 294 H GLU 21 H GLU 21 -0.219 -14.000 -3.857 295 HA GLU 21 HA GLU 21 -2.880 -14.460 -4.798 296 1HB GLU 21 HB2 GLU 21 -1.419 -15.875 -2.543 297 2HB GLU 21 HB1 GLU 21 -2.817 -16.495 -3.424 298 1HG GLU 21 HG2 GLU 21 -1.595 -16.879 -5.368 299 2HG GLU 21 HG1 GLU 21 -0.373 -15.674 -4.957 300 H ARG 22 H ARG 22 -1.627 -12.808 -2.077 301 HA ARG 22 HA ARG 22 -3.956 -13.074 -0.373 302 1HB ARG 22 HB2 ARG 22 -1.923 -10.828 -0.379 303 2HB ARG 22 HB1 ARG 22 -2.945 -11.341 0.965 304 1HG ARG 22 HG2 ARG 22 -0.790 -13.031 -0.341 305 2HG ARG 22 HG1 ARG 22 -0.636 -12.202 1.209 306 1HD ARG 22 HD2 ARG 22 -1.760 -13.831 2.288 307 2HD ARG 22 HD1 ARG 22 -3.062 -13.807 1.097 308 HE ARG 22 HE ARG 22 -0.962 -15.121 -0.180 309 1HH1 ARG 22 HH21 ARG 22 -3.669 -15.881 1.532 310 2HH1 ARG 22 HH22 ARG 22 -3.118 -17.412 2.125 311 1HH2 ARG 22 HH11 ARG 22 0.164 -16.922 1.109 312 2HH2 ARG 22 HH12 ARG 22 -0.946 -18.002 1.885 313 H GLY 23 H GLY 23 -3.221 -11.341 -3.220 314 1HA GLY 23 HA2 GLY 23 -4.418 -9.725 -4.421 315 2HA GLY 23 HA1 GLY 23 -5.831 -10.285 -3.529 316 H PHE 24 H PHE 24 -4.860 -7.520 -4.291 317 HA PHE 24 HA PHE 24 -4.671 -6.309 -1.551 318 1HB PHE 24 HB2 PHE 24 -3.994 -4.239 -2.830 319 2HB PHE 24 HB1 PHE 24 -2.878 -5.573 -3.023 320 HD1 PHE 24 HD1 PHE 24 -5.246 -3.382 -4.693 321 HD2 PHE 24 HD2 PHE 24 -2.896 -6.955 -5.111 322 HE1 PHE 24 HE1 PHE 24 -5.552 -3.293 -7.150 323 HE2 PHE 24 HE2 PHE 24 -3.202 -6.867 -7.571 324 HZ PHE 24 HZ PHE 24 -4.529 -5.035 -8.592 325 H PHE 25 H PHE 25 -6.455 -5.025 -0.880 326 HA PHE 25 HA PHE 25 -8.767 -5.021 -2.727 327 1HB PHE 25 HB2 PHE 25 -10.120 -4.873 -0.879 328 2HB PHE 25 HB1 PHE 25 -8.699 -5.555 -0.102 329 HD1 PHE 25 HD1 PHE 25 -11.132 -3.156 0.298 330 HD2 PHE 25 HD2 PHE 25 -6.864 -3.562 0.448 331 HE1 PHE 25 HE1 PHE 25 -10.998 -1.173 1.783 332 HE2 PHE 25 HE2 PHE 25 -6.722 -1.581 1.934 333 HZ PHE 25 HZ PHE 25 -8.792 -0.385 2.602 334 H TYR 26 H TYR 26 -6.682 -3.362 -3.542 335 HA TYR 26 HA TYR 26 -6.688 -0.676 -2.812 336 1HB TYR 26 HB2 TYR 26 -5.168 -1.404 -4.503 337 2HB TYR 26 HB1 TYR 26 -6.472 -1.983 -5.529 338 HD1 TYR 26 HD1 TYR 26 -5.572 1.216 -3.772 339 HD2 TYR 26 HD2 TYR 26 -6.926 -0.680 -7.382 340 HE1 TYR 26 HE1 TYR 26 -5.657 3.424 -4.901 341 HE2 TYR 26 HE2 TYR 26 -7.008 1.523 -8.514 342 HH TYR 26 HH TYR 26 -7.301 4.133 -7.432 343 H THR 27 H THR 27 -7.903 1.174 -3.627 344 HA THR 27 HA THR 27 -10.756 0.591 -3.791 345 HB THR 27 HB THR 27 -11.081 2.929 -3.571 346 HG1 THR 27 HG1 THR 27 -9.768 4.355 -4.423 347 1HG2 THR 27 HG21 THR 27 -8.397 2.571 -2.245 348 2HG2 THR 27 HG22 THR 27 -9.826 1.711 -1.675 349 3HG2 THR 27 HG23 THR 27 -9.796 3.474 -1.662 350 H LYS 28 H LYS 28 -10.726 -0.611 -5.824 351 HA LYS 28 HA LYS 28 -11.018 1.217 -8.138 352 1HB LYS 28 HB2 LYS 28 -8.661 0.272 -8.134 353 2HB LYS 28 HB1 LYS 28 -9.382 -1.324 -8.346 354 1HG LYS 28 HG2 LYS 28 -10.680 -0.105 -10.313 355 2HG LYS 28 HG1 LYS 28 -9.293 0.984 -10.249 356 1HD LYS 28 HD2 LYS 28 -7.827 -1.109 -10.332 357 2HD LYS 28 HD1 LYS 28 -9.290 -1.996 -10.759 358 1HE LYS 28 HE2 LYS 28 -8.740 -1.438 -12.894 359 2HE LYS 28 HE1 LYS 28 -9.432 0.130 -12.476 360 1HZ LYS 28 HZ1 LYS 28 -7.437 1.089 -12.473 361 2HZ LYS 28 HZ2 LYS 28 -6.899 -0.283 -13.315 362 3HZ LYS 28 HZ3 LYS 28 -6.706 -0.187 -11.630 363 HA PRO 29 HA PRO 29 -14.141 -2.224 -7.773 364 1HB PRO 29 HB2 PRO 29 -16.293 -0.622 -7.181 365 2HB PRO 29 HB1 PRO 29 -15.245 -1.349 -5.951 366 1HG PRO 29 HG2 PRO 29 -15.376 1.483 -6.865 367 2HG PRO 29 HG1 PRO 29 -14.839 0.831 -5.308 368 1HD PRO 29 HD2 PRO 29 -13.162 1.719 -7.419 369 2HD PRO 29 HD1 PRO 29 -12.652 0.802 -5.985 370 H THR 30 H THR 30 -15.715 -2.692 -9.416 371 HA THR 30 HA THR 30 -15.895 -0.629 -11.578 372 HB THR 30 HB THR 30 -16.369 -3.508 -12.191 373 HG1 THR 30 HG1 THR 30 -13.885 -3.331 -12.549 374 1HG2 THR 30 HG21 THR 30 -14.585 -2.247 -13.978 375 2HG2 THR 30 HG22 THR 30 -15.790 -1.031 -13.556 376 3HG2 THR 30 HG23 THR 30 -16.298 -2.577 -14.236 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -7.491 9.211 -1.566 2 2H GLY 1 HT2 GLY 1 -8.399 8.132 -2.513 3 3H GLY 1 HT3 GLY 1 -6.728 8.294 -2.774 4 1HA GLY 1 HA1 GLY 1 -7.394 7.478 -0.130 5 2HA GLY 1 HA2 GLY 1 -7.868 6.266 -1.360 6 H ILE 2 H ILE 2 -5.677 5.207 -1.425 7 HA ILE 2 HA ILE 2 -3.606 6.279 0.429 8 HB ILE 2 HB ILE 2 -4.118 4.112 1.140 9 1HG1 ILE 2 HG12 ILE 2 -1.635 4.531 0.289 10 2HG1 ILE 2 HG11 ILE 2 -2.123 2.949 0.877 11 1HG2 ILE 2 HG21 ILE 2 -4.229 2.236 -0.716 12 2HG2 ILE 2 HG22 ILE 2 -4.585 3.602 -1.773 13 3HG2 ILE 2 HG23 ILE 2 -5.629 3.258 -0.395 14 1HD1 ILE 2 HD11 ILE 2 -2.196 2.021 -1.250 15 2HD1 ILE 2 HD12 ILE 2 -0.871 3.169 -1.434 16 3HD1 ILE 2 HD13 ILE 2 -2.480 3.576 -2.030 17 H VAL 3 H VAL 3 -4.331 5.972 -2.859 18 HA VAL 3 HA VAL 3 -1.908 5.307 -4.087 19 HB VAL 3 HB VAL 3 -3.953 7.401 -4.848 20 1HG1 VAL 3 HG11 VAL 3 -2.504 6.568 -7.120 21 2HG1 VAL 3 HG12 VAL 3 -1.292 6.945 -5.895 22 3HG1 VAL 3 HG13 VAL 3 -2.473 8.164 -6.368 23 1HG2 VAL 3 HG21 VAL 3 -5.095 5.535 -5.421 24 2HG2 VAL 3 HG22 VAL 3 -3.695 4.509 -5.114 25 3HG2 VAL 3 HG23 VAL 3 -3.887 5.290 -6.684 26 H GLU 4 H GLU 4 -2.838 8.732 -3.802 27 HA GLU 4 HA GLU 4 -0.224 9.700 -4.020 28 1HB GLU 4 HB2 GLU 4 -1.105 11.800 -3.360 29 2HB GLU 4 HB1 GLU 4 -2.450 10.979 -4.138 30 1HG GLU 4 HG2 GLU 4 -3.279 10.255 -1.923 31 2HG GLU 4 HG1 GLU 4 -1.947 11.116 -1.151 32 H GLN 5 H GLN 5 -1.991 8.608 -1.165 33 HA GLN 5 HA GLN 5 -0.268 9.596 0.843 34 1HB GLN 5 HB2 GLN 5 -2.475 8.184 1.003 35 2HB GLN 5 HB1 GLN 5 -1.375 6.806 1.016 36 1HG GLN 5 HG2 GLN 5 -0.859 7.185 3.172 37 2HG GLN 5 HG1 GLN 5 -0.397 8.847 2.804 38 1HE2 GLN 5 HE21 GLN 5 -3.498 6.988 2.984 39 2HE2 GLN 5 HE22 GLN 5 -4.328 8.183 3.856 40 H CYS 6 H CYS 6 0.056 6.791 -1.290 41 HA CYS 6 HA CYS 6 2.728 6.265 -0.081 42 1HB CYS 6 HB2 CYS 6 1.088 4.511 -1.937 43 2HB CYS 6 HB1 CYS 6 2.613 4.072 -1.168 44 H CYS 7 H CYS 7 1.329 7.884 -2.667 45 HA CYS 7 HA CYS 7 3.641 7.350 -4.470 46 1HB CYS 7 HB2 CYS 7 1.379 7.358 -5.516 47 2HB CYS 7 HB1 CYS 7 1.137 9.004 -4.951 48 H THR 8 H THR 8 1.859 10.424 -3.963 49 HA THR 8 HA THR 8 4.022 12.166 -4.235 50 HB THR 8 HB THR 8 2.477 13.098 -2.001 51 HG1 THR 8 HG1 THR 8 0.785 12.322 -4.089 52 1HG2 THR 8 HG21 THR 8 3.361 13.980 -4.497 53 2HG2 THR 8 HG22 THR 8 2.421 14.914 -3.334 54 3HG2 THR 8 HG23 THR 8 1.602 14.024 -4.618 55 H SER 9 H SER 9 3.115 10.093 -1.628 56 HA SER 9 HA SER 9 5.623 10.766 -0.150 57 1HB SER 9 HB2 SER 9 2.987 10.734 0.828 58 2HB SER 9 HB1 SER 9 3.649 9.181 1.330 59 HG SER 9 HG SER 9 4.345 10.489 2.892 60 H ILE 10 H ILE 10 6.134 8.460 1.167 61 HA ILE 10 HA ILE 10 5.810 6.365 -0.945 62 HB ILE 10 HB ILE 10 8.225 6.877 0.820 63 1HG1 ILE 10 HG12 ILE 10 9.370 7.159 -1.360 64 2HG1 ILE 10 HG11 ILE 10 7.835 6.930 -2.192 65 1HG2 ILE 10 HG21 ILE 10 8.762 4.941 -1.148 66 2HG2 ILE 10 HG22 ILE 10 7.209 4.484 -0.456 67 3HG2 ILE 10 HG23 ILE 10 8.612 4.670 0.586 68 1HD1 ILE 10 HD11 ILE 10 8.852 9.367 -1.456 69 2HD1 ILE 10 HD12 ILE 10 7.783 9.011 -0.101 70 3HD1 ILE 10 HD13 ILE 10 7.142 9.050 -1.743 71 H CYS 11 H CYS 11 5.440 4.223 -0.197 72 HA CYS 11 HA CYS 11 4.758 4.106 2.722 73 1HB CYS 11 HB2 CYS 11 3.425 2.932 0.302 74 2HB CYS 11 HB1 CYS 11 3.282 2.107 1.850 75 H SER 12 H SER 12 5.398 2.260 3.886 76 HA SER 12 HA SER 12 7.723 0.866 2.777 77 1HB SER 12 HB2 SER 12 8.022 -0.022 4.980 78 2HB SER 12 HB1 SER 12 7.484 1.641 5.200 79 HG SER 12 HG SER 12 6.256 0.331 6.521 80 H LEU 13 H LEU 13 7.796 -1.603 3.098 81 HA LEU 13 HA LEU 13 5.770 -2.817 1.498 82 1HB LEU 13 HB2 LEU 13 8.098 -3.736 3.090 83 2HB LEU 13 HB1 LEU 13 6.842 -4.943 2.813 84 HG LEU 13 HG LEU 13 8.632 -4.854 1.025 85 1HD1 LEU 13 HD11 LEU 13 6.399 -5.810 0.600 86 2HD1 LEU 13 HD12 LEU 13 7.005 -4.976 -0.831 87 3HD1 LEU 13 HD13 LEU 13 5.789 -4.209 0.187 88 1HD2 LEU 13 HD21 LEU 13 8.821 -2.996 -0.401 89 2HD2 LEU 13 HD22 LEU 13 8.602 -2.237 1.176 90 3HD2 LEU 13 HD23 LEU 13 7.242 -2.362 0.059 91 H TYR 14 H TYR 14 6.125 -2.487 5.001 92 HA TYR 14 HA TYR 14 4.065 -4.351 5.714 93 1HB TYR 14 HB2 TYR 14 5.740 -3.397 7.318 94 2HB TYR 14 HB1 TYR 14 4.910 -1.846 7.208 95 HD1 TYR 14 HD1 TYR 14 4.191 -5.470 7.898 96 HD2 TYR 14 HD2 TYR 14 3.199 -1.369 8.720 97 HE1 TYR 14 HE1 TYR 14 2.572 -6.208 9.631 98 HE2 TYR 14 HE2 TYR 14 1.581 -2.108 10.452 99 HH TYR 14 HH TYR 14 1.028 -5.575 11.089 100 H GLN 15 H GLN 15 4.034 -0.939 4.805 101 HA GLN 15 HA GLN 15 1.252 -0.531 5.482 102 1HB GLN 15 HB2 GLN 15 3.089 0.971 3.579 103 2HB GLN 15 HB1 GLN 15 1.502 1.540 4.088 104 1HG GLN 15 HG2 GLN 15 2.855 0.853 6.463 105 2HG GLN 15 HG1 GLN 15 4.033 1.724 5.482 106 1HE2 GLN 15 HE21 GLN 15 0.633 2.002 6.646 107 2HE2 GLN 15 HE22 GLN 15 0.637 3.698 6.704 108 H LEU 16 H LEU 16 2.806 -0.760 2.229 109 HA LEU 16 HA LEU 16 0.473 -0.981 0.719 110 1HB LEU 16 HB2 LEU 16 3.174 -2.273 0.447 111 2HB LEU 16 HB1 LEU 16 1.892 -2.703 -0.673 112 HG LEU 16 HG LEU 16 2.367 -0.854 -1.884 113 1HD1 LEU 16 HD11 LEU 16 2.061 1.441 -0.849 114 2HD1 LEU 16 HD12 LEU 16 1.733 0.630 0.681 115 3HD1 LEU 16 HD13 LEU 16 0.666 0.372 -0.699 116 1HD2 LEU 16 HD21 LEU 16 4.485 -1.014 0.004 117 2HD2 LEU 16 HD22 LEU 16 4.090 0.693 -0.213 118 3HD2 LEU 16 HD23 LEU 16 4.514 -0.299 -1.608 119 H GLU 17 H GLU 17 1.855 -3.218 2.977 120 HA GLU 17 HA GLU 17 0.232 -5.529 2.223 121 1HB GLU 17 HB2 GLU 17 1.839 -4.817 4.685 122 2HB GLU 17 HB1 GLU 17 0.899 -6.301 4.570 123 1HG GLU 17 HG2 GLU 17 3.002 -5.506 2.548 124 2HG GLU 17 HG1 GLU 17 3.333 -6.541 3.938 125 H ASN 18 H ASN 18 0.156 -2.981 4.632 126 HA ASN 18 HA ASN 18 -2.071 -3.729 6.133 127 1HB ASN 18 HB2 ASN 18 -1.732 -1.698 7.094 128 2HB ASN 18 HB1 ASN 18 -0.351 -1.598 6.026 129 1HD2 ASN 18 HD21 ASN 18 -1.332 -0.953 3.595 130 2HD2 ASN 18 HD22 ASN 18 -2.195 0.500 3.671 131 H TYR 19 H TYR 19 -1.945 -2.535 2.847 132 HA TYR 19 HA TYR 19 -4.916 -2.366 2.840 133 1HB TYR 19 HB2 TYR 19 -2.848 -1.255 0.946 134 2HB TYR 19 HB1 TYR 19 -4.587 -1.175 0.650 135 HD1 TYR 19 HD1 TYR 19 -2.948 1.297 0.896 136 HD2 TYR 19 HD2 TYR 19 -4.892 -1.054 3.925 137 HE1 TYR 19 HE1 TYR 19 -3.050 3.271 2.395 138 HE2 TYR 19 HE2 TYR 19 -4.992 0.904 5.403 139 HH TYR 19 HH TYR 19 -4.651 3.983 4.401 140 H CYS 20 H CYS 20 -2.498 -4.543 2.050 141 HA CYS 20 HA CYS 20 -3.466 -5.552 -0.440 142 1HB CYS 20 HB2 CYS 20 -1.984 -6.834 1.869 143 2HB CYS 20 HB1 CYS 20 -2.352 -7.682 0.388 144 H ASN 21 H ASN 21 -4.027 -8.364 0.543 145 HA ASN 21 HA ASN 21 -6.869 -7.863 1.163 146 1HB ASN 21 HB2 ASN 21 -5.989 -9.615 -0.524 147 2HB ASN 21 HB1 ASN 21 -5.591 -10.583 0.897 148 1HD2 ASN 21 HD21 ASN 21 -7.262 -11.867 1.695 149 2HD2 ASN 21 HD22 ASN 21 -8.909 -11.639 1.355 150 1H PHE 1 HT1 PHE 1 13.264 -3.004 -1.272 151 2H PHE 1 HT2 PHE 1 12.541 -3.111 -2.806 152 3H PHE 1 HT3 PHE 1 12.946 -4.523 -1.954 153 HA PHE 1 HA PHE 1 10.514 -3.267 -1.958 154 1HB PHE 1 HB2 PHE 1 11.827 -5.575 -0.809 155 2HB PHE 1 HB1 PHE 1 10.680 -4.894 0.344 156 HD1 PHE 1 HD1 PHE 1 10.302 -4.543 -3.319 157 HD2 PHE 1 HD2 PHE 1 9.061 -6.698 0.187 158 HE1 PHE 1 HE1 PHE 1 8.425 -5.541 -4.598 159 HE2 PHE 1 HE2 PHE 1 7.186 -7.697 -1.093 160 HZ PHE 1 HZ PHE 1 6.867 -7.117 -3.485 161 H VAL 2 H VAL 2 12.351 -1.248 -1.077 162 HA VAL 2 HA VAL 2 11.062 -0.575 1.519 163 HB VAL 2 HB VAL 2 13.331 -1.526 1.988 164 1HG1 VAL 2 HG11 VAL 2 14.130 -0.398 -0.299 165 2HG1 VAL 2 HG12 VAL 2 15.257 -0.685 1.027 166 3HG1 VAL 2 HG13 VAL 2 14.562 0.920 0.790 167 1HG2 VAL 2 HG21 VAL 2 14.125 0.948 2.911 168 2HG2 VAL 2 HG22 VAL 2 12.976 -0.109 3.731 169 3HG2 VAL 2 HG23 VAL 2 12.393 1.179 2.676 170 H ASN 3 H ASN 3 10.678 1.669 1.748 171 HA ASN 3 HA ASN 3 10.190 3.802 0.859 172 1HB ASN 3 HB2 ASN 3 13.033 3.359 0.863 173 2HB ASN 3 HB1 ASN 3 12.604 4.327 -0.549 174 1HD2 ASN 3 HD21 ASN 3 13.934 5.130 2.095 175 2HD2 ASN 3 HD22 ASN 3 12.981 6.412 2.668 176 H GLN 4 H GLN 4 8.684 2.661 -0.680 177 HA GLN 4 HA GLN 4 9.745 2.691 -3.470 178 1HB GLN 4 HB2 GLN 4 8.503 0.627 -2.236 179 2HB GLN 4 HB1 GLN 4 7.101 1.458 -2.909 180 1HG GLN 4 HG2 GLN 4 7.923 -0.167 -4.534 181 2HG GLN 4 HG1 GLN 4 8.216 1.464 -5.141 182 1HE2 GLN 4 HE21 GLN 4 10.137 1.067 -6.354 183 2HE2 GLN 4 HE22 GLN 4 11.578 0.505 -5.654 184 H HIS 5 H HIS 5 8.871 4.066 -4.929 185 HA HIS 5 HA HIS 5 6.856 6.015 -3.993 186 1HB HIS 5 HB2 HIS 5 7.860 6.107 -6.793 187 2HB HIS 5 HB1 HIS 5 7.657 7.418 -5.633 188 HD2 HIS 5 HD2 HIS 5 10.571 6.364 -7.334 189 HE1 HIS 5 HE1 HIS 5 11.908 6.158 -3.328 190 HE2 HIS 5 HE2 HIS 5 12.645 6.209 -5.771 191 H LEU 6 H LEU 6 5.081 4.483 -3.937 192 HA LEU 6 HA LEU 6 4.253 3.120 -6.389 193 1HB LEU 6 HB2 LEU 6 2.884 3.556 -3.755 194 2HB LEU 6 HB1 LEU 6 2.243 2.573 -5.046 195 HG LEU 6 HG LEU 6 3.306 0.898 -3.887 196 1HD1 LEU 6 HD11 LEU 6 4.565 1.027 -5.976 197 2HD1 LEU 6 HD12 LEU 6 5.632 0.551 -4.654 198 3HD1 LEU 6 HD13 LEU 6 5.662 2.208 -5.259 199 1HD2 LEU 6 HD21 LEU 6 5.314 2.947 -2.908 200 2HD2 LEU 6 HD22 LEU 6 5.160 1.288 -2.333 201 3HD2 LEU 6 HD23 LEU 6 3.868 2.450 -2.031 202 H CYS 7 H CYS 7 2.553 3.709 -7.738 203 HA CYS 7 HA CYS 7 0.811 5.938 -7.012 204 1HB CYS 7 HB2 CYS 7 2.457 6.212 -9.523 205 2HB CYS 7 HB1 CYS 7 1.390 7.413 -8.810 206 H GLY 8 H GLY 8 -1.168 5.342 -7.762 207 1HA GLY 8 HA2 GLY 8 -2.757 4.030 -8.925 208 2HA GLY 8 HA1 GLY 8 -1.979 4.777 -10.321 209 H SER 9 H SER 9 -0.886 3.442 -11.721 210 HA SER 9 HA SER 9 -1.114 0.619 -11.521 211 1HB SER 9 HB2 SER 9 1.020 0.914 -13.195 212 2HB SER 9 HB1 SER 9 -0.659 1.098 -13.696 213 HG SER 9 HG SER 9 -0.088 3.064 -14.167 214 H ASP 10 H ASP 10 1.960 2.467 -11.331 215 HA ASP 10 HA ASP 10 3.615 0.459 -10.367 216 1HB ASP 10 HB2 ASP 10 3.500 3.377 -9.546 217 2HB ASP 10 HB1 ASP 10 4.822 2.293 -9.103 218 H LEU 11 H LEU 11 1.117 2.225 -8.646 219 HA LEU 11 HA LEU 11 1.780 1.196 -6.019 220 1HB LEU 11 HB2 LEU 11 0.434 3.248 -6.342 221 2HB LEU 11 HB1 LEU 11 -0.824 2.298 -7.122 222 HG LEU 11 HG LEU 11 -1.204 1.047 -5.048 223 1HD1 LEU 11 HD11 LEU 11 1.163 1.197 -4.218 224 2HD1 LEU 11 HD12 LEU 11 -0.034 1.624 -2.996 225 3HD1 LEU 11 HD13 LEU 11 0.869 2.891 -3.826 226 1HD2 LEU 11 HD21 LEU 11 -1.443 3.945 -5.315 227 2HD2 LEU 11 HD22 LEU 11 -1.445 3.414 -3.634 228 3HD2 LEU 11 HD23 LEU 11 -2.636 2.769 -4.764 229 H THR 12 H THR 12 -0.626 0.320 -8.509 230 HA THR 12 HA THR 12 -1.620 -1.988 -7.106 231 HB THR 12 HB THR 12 -1.525 -1.288 -10.054 232 HG1 THR 12 HG1 THR 12 -3.263 -0.264 -9.550 233 1HG2 THR 12 HG21 THR 12 -3.191 -3.154 -10.304 234 2HG2 THR 12 HG22 THR 12 -2.803 -3.649 -8.657 235 3HG2 THR 12 HG23 THR 12 -1.562 -3.699 -9.909 236 H GLU 13 H GLU 13 0.811 -1.600 -9.695 237 HA GLU 13 HA GLU 13 1.696 -4.229 -9.958 238 1HB GLU 13 HB2 GLU 13 2.961 -1.556 -10.199 239 2HB GLU 13 HB1 GLU 13 4.075 -2.910 -10.007 240 1HG GLU 13 HG2 GLU 13 2.632 -4.059 -11.848 241 2HG GLU 13 HG1 GLU 13 2.062 -2.426 -12.195 242 H ALA 14 H ALA 14 2.906 -1.824 -7.601 243 HA ALA 14 HA ALA 14 4.541 -3.646 -6.134 244 1HB ALA 14 HB1 ALA 14 4.422 -1.984 -4.315 245 2HB ALA 14 HB2 ALA 14 3.068 -1.189 -5.120 246 3HB ALA 14 HB3 ALA 14 4.667 -1.179 -5.866 247 H LEU 15 H LEU 15 1.338 -2.339 -5.174 248 HA LEU 15 HA LEU 15 0.756 -4.095 -3.085 249 1HB LEU 15 HB2 LEU 15 -0.984 -2.840 -5.201 250 2HB LEU 15 HB1 LEU 15 -1.682 -3.937 -4.012 251 HG LEU 15 HG LEU 15 -0.007 -1.526 -3.271 252 1HD1 LEU 15 HD11 LEU 15 -2.705 -1.654 -4.247 253 2HD1 LEU 15 HD12 LEU 15 -1.808 -0.243 -3.685 254 3HD1 LEU 15 HD13 LEU 15 -2.737 -1.211 -2.540 255 1HD2 LEU 15 HD21 LEU 15 -1.292 -3.744 -1.827 256 2HD2 LEU 15 HD22 LEU 15 -1.713 -2.154 -1.190 257 3HD2 LEU 15 HD23 LEU 15 -0.022 -2.644 -1.290 258 H TYR 16 H TYR 16 -0.396 -4.595 -6.416 259 HA TYR 16 HA TYR 16 -1.271 -7.190 -6.354 260 1HB TYR 16 HB2 TYR 16 -0.732 -5.457 -8.345 261 2HB TYR 16 HB1 TYR 16 0.607 -6.582 -8.581 262 HD1 TYR 16 HD1 TYR 16 -2.863 -5.974 -9.154 263 HD2 TYR 16 HD2 TYR 16 0.029 -9.108 -8.650 264 HE1 TYR 16 HE1 TYR 16 -4.406 -7.568 -10.256 265 HE2 TYR 16 HE2 TYR 16 -1.512 -10.708 -9.752 266 HH TYR 16 HH TYR 16 -4.765 -9.692 -10.814 267 H LEU 17 H LEU 17 2.080 -6.159 -6.040 268 HA LEU 17 HA LEU 17 2.945 -9.004 -6.150 269 1HB LEU 17 HB2 LEU 17 4.092 -6.791 -7.259 270 2HB LEU 17 HB1 LEU 17 4.981 -6.908 -5.738 271 HG LEU 17 HG LEU 17 4.708 -9.026 -7.891 272 1HD1 LEU 17 HD11 LEU 17 6.503 -7.491 -8.345 273 2HD1 LEU 17 HD12 LEU 17 7.238 -8.955 -7.689 274 3HD1 LEU 17 HD13 LEU 17 7.043 -7.532 -6.665 275 1HD2 LEU 17 HD21 LEU 17 4.566 -10.399 -6.038 276 2HD2 LEU 17 HD22 LEU 17 5.394 -9.247 -4.989 277 3HD2 LEU 17 HD23 LEU 17 6.319 -10.222 -6.131 278 H VAL 18 H VAL 18 3.338 -6.111 -4.056 279 HA VAL 18 HA VAL 18 4.760 -7.260 -1.957 280 HB VAL 18 HB VAL 18 4.095 -5.513 -0.653 281 1HG1 VAL 18 HG11 VAL 18 4.334 -4.815 -3.213 282 2HG1 VAL 18 HG12 VAL 18 4.019 -3.643 -1.934 283 3HG1 VAL 18 HG13 VAL 18 2.688 -4.262 -2.909 284 1HG2 VAL 18 HG21 VAL 18 1.918 -4.651 -0.309 285 2HG2 VAL 18 HG22 VAL 18 1.768 -6.406 -0.339 286 3HG2 VAL 18 HG23 VAL 18 1.314 -5.455 -1.754 287 H CYS 19 H CYS 19 1.418 -7.506 -2.706 288 HA CYS 19 HA CYS 19 0.895 -9.384 -0.475 289 1HB CYS 19 HB2 CYS 19 -1.244 -9.065 -2.469 290 2HB CYS 19 HB1 CYS 19 -1.303 -8.854 -0.732 291 H GLY 20 H GLY 20 0.066 -9.414 -3.937 292 1HA GLY 20 HA2 GLY 20 0.380 -11.094 -5.565 293 2HA GLY 20 HA1 GLY 20 1.488 -11.897 -4.450 294 H GLU 21 H GLU 21 0.758 -13.888 -3.840 295 HA GLU 21 HA GLU 21 -1.807 -14.910 -4.366 296 1HB GLU 21 HB2 GLU 21 0.054 -15.634 -2.076 297 2HB GLU 21 HB1 GLU 21 -1.303 -16.616 -2.629 298 1HG GLU 21 HG2 GLU 21 -0.281 -16.901 -4.814 299 2HG GLU 21 HG1 GLU 21 1.016 -15.783 -4.393 300 H ARG 22 H ARG 22 -0.678 -12.850 -1.793 301 HA ARG 22 HA ARG 22 -3.004 -13.168 -0.085 302 1HB ARG 22 HB2 ARG 22 -0.943 -10.948 -0.222 303 2HB ARG 22 HB1 ARG 22 -2.121 -11.164 1.072 304 1HG ARG 22 HG2 ARG 22 -0.248 -13.398 0.317 305 2HG ARG 22 HG1 ARG 22 0.271 -12.123 1.420 306 1HD ARG 22 HD2 ARG 22 -0.623 -13.580 2.966 307 2HD ARG 22 HD1 ARG 22 -2.087 -12.683 2.557 308 HE ARG 22 HE ARG 22 -2.111 -14.710 0.712 309 1HH1 ARG 22 HH21 ARG 22 -3.488 -14.368 3.598 310 2HH1 ARG 22 HH22 ARG 22 -3.364 -16.013 4.128 311 1HH2 ARG 22 HH11 ARG 22 -1.161 -16.936 1.619 312 2HH2 ARG 22 HH12 ARG 22 -2.047 -17.463 3.011 313 H GLY 23 H GLY 23 -2.657 -11.837 -3.103 314 1HA GLY 23 HA2 GLY 23 -3.865 -10.236 -4.326 315 2HA GLY 23 HA1 GLY 23 -5.218 -10.779 -3.335 316 H PHE 24 H PHE 24 -5.543 -8.294 -3.904 317 HA PHE 24 HA PHE 24 -5.019 -6.863 -1.393 318 1HB PHE 24 HB2 PHE 24 -3.988 -4.924 -2.440 319 2HB PHE 24 HB1 PHE 24 -3.025 -6.350 -2.796 320 HD1 PHE 24 HD1 PHE 24 -4.079 -3.449 -4.223 321 HD2 PHE 24 HD2 PHE 24 -4.169 -7.673 -5.021 322 HE1 PHE 24 HE1 PHE 24 -4.292 -2.990 -6.651 323 HE2 PHE 24 HE2 PHE 24 -4.385 -7.211 -7.442 324 HZ PHE 24 HZ PHE 24 -4.449 -4.870 -8.260 325 H PHE 25 H PHE 25 -6.198 -4.619 -1.558 326 HA PHE 25 HA PHE 25 -8.594 -5.003 -3.295 327 1HB PHE 25 HB2 PHE 25 -10.031 -4.606 -1.547 328 2HB PHE 25 HB1 PHE 25 -8.693 -5.300 -0.639 329 HD1 PHE 25 HD1 PHE 25 -11.006 -2.978 -0.194 330 HD2 PHE 25 HD2 PHE 25 -6.727 -3.131 -0.552 331 HE1 PHE 25 HE1 PHE 25 -10.825 -0.875 1.109 332 HE2 PHE 25 HE2 PHE 25 -6.545 -1.026 0.751 333 HZ PHE 25 HZ PHE 25 -8.593 0.101 1.584 334 H TYR 26 H TYR 26 -6.242 -3.438 -3.967 335 HA TYR 26 HA TYR 26 -6.296 -0.702 -3.515 336 1HB TYR 26 HB2 TYR 26 -4.649 -1.535 -5.024 337 2HB TYR 26 HB1 TYR 26 -5.867 -2.246 -6.076 338 HD1 TYR 26 HD1 TYR 26 -5.619 1.172 -4.543 339 HD2 TYR 26 HD2 TYR 26 -5.750 -1.176 -8.140 340 HE1 TYR 26 HE1 TYR 26 -5.669 3.249 -5.902 341 HE2 TYR 26 HE2 TYR 26 -5.801 0.899 -9.498 342 HH TYR 26 HH TYR 26 -5.173 4.005 -8.116 343 H THR 27 H THR 27 -8.136 0.528 -3.371 344 HA THR 27 HA THR 27 -10.513 -0.123 -4.931 345 HB THR 27 HB THR 27 -10.852 0.733 -2.710 346 HG1 THR 27 HG1 THR 27 -12.317 1.471 -4.294 347 1HG2 THR 27 HG21 THR 27 -9.359 2.170 -1.845 348 2HG2 THR 27 HG22 THR 27 -10.018 3.434 -2.884 349 3HG2 THR 27 HG23 THR 27 -8.663 2.450 -3.440 350 H LYS 28 H LYS 28 -9.730 0.164 -7.109 351 HA LYS 28 HA LYS 28 -10.440 2.478 -8.422 352 1HB LYS 28 HB2 LYS 28 -7.871 2.812 -7.036 353 2HB LYS 28 HB1 LYS 28 -7.801 3.201 -8.754 354 1HG LYS 28 HG2 LYS 28 -10.227 4.282 -7.674 355 2HG LYS 28 HG1 LYS 28 -8.879 4.790 -6.658 356 1HD LYS 28 HD2 LYS 28 -7.698 5.705 -8.553 357 2HD LYS 28 HD1 LYS 28 -8.871 5.019 -9.678 358 1HE LYS 28 HE2 LYS 28 -10.368 6.692 -9.325 359 2HE LYS 28 HE1 LYS 28 -10.059 6.725 -7.589 360 1HZ LYS 28 HZ1 LYS 28 -9.315 8.682 -9.152 361 2HZ LYS 28 HZ2 LYS 28 -7.954 7.690 -9.377 362 3HZ LYS 28 HZ3 LYS 28 -8.377 8.214 -7.818 363 HA PRO 29 HA PRO 29 -8.700 -0.986 -10.954 364 1HB PRO 29 HB2 PRO 29 -11.110 -1.738 -12.042 365 2HB PRO 29 HB1 PRO 29 -10.461 -2.413 -10.537 366 1HG PRO 29 HG2 PRO 29 -12.670 -0.447 -10.913 367 2HG PRO 29 HG1 PRO 29 -12.400 -1.591 -9.587 368 1HD PRO 29 HD2 PRO 29 -11.845 1.187 -9.521 369 2HD PRO 29 HD1 PRO 29 -11.285 -0.019 -8.344 370 H THR 30 H THR 30 -11.467 1.086 -11.942 371 HA THR 30 HA THR 30 -9.928 1.723 -14.430 372 HB THR 30 HB THR 30 -12.770 2.219 -14.683 373 HG1 THR 30 HG1 THR 30 -12.123 -0.497 -14.352 374 1HG2 THR 30 HG21 THR 30 -10.836 0.338 -16.064 375 2HG2 THR 30 HG22 THR 30 -11.230 1.983 -16.564 376 3HG2 THR 30 HG23 THR 30 -12.458 0.720 -16.644 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -8.056 8.635 -0.016 2 2H GLY 1 HT2 GLY 1 -7.462 8.154 1.500 3 3H GLY 1 HT3 GLY 1 -7.678 7.005 0.268 4 1HA GLY 1 HA1 GLY 1 -5.892 8.082 -0.964 5 2HA GLY 1 HA2 GLY 1 -5.700 9.327 0.307 6 H ILE 2 H ILE 2 -5.916 5.995 -1.214 7 HA ILE 2 HA ILE 2 -3.774 4.887 0.421 8 HB ILE 2 HB ILE 2 -5.948 3.710 -0.444 9 1HG1 ILE 2 HG12 ILE 2 -4.192 2.543 0.739 10 2HG1 ILE 2 HG11 ILE 2 -4.691 1.562 -0.644 11 1HG2 ILE 2 HG21 ILE 2 -5.451 2.475 -2.613 12 2HG2 ILE 2 HG22 ILE 2 -4.169 3.650 -2.893 13 3HG2 ILE 2 HG23 ILE 2 -5.845 4.184 -2.783 14 1HD1 ILE 2 HD11 ILE 2 -2.401 1.536 -0.932 15 2HD1 ILE 2 HD12 ILE 2 -2.196 3.151 -0.254 16 3HD1 ILE 2 HD13 ILE 2 -2.831 2.949 -1.886 17 H VAL 3 H VAL 3 -4.329 6.141 -2.833 18 HA VAL 3 HA VAL 3 -1.779 5.250 -3.879 19 HB VAL 3 HB VAL 3 -3.640 7.431 -4.850 20 1HG1 VAL 3 HG11 VAL 3 -1.378 6.011 -6.290 21 2HG1 VAL 3 HG12 VAL 3 -1.270 7.644 -5.632 22 3HG1 VAL 3 HG13 VAL 3 -2.397 7.293 -6.943 23 1HG2 VAL 3 HG21 VAL 3 -3.248 4.670 -6.006 24 2HG2 VAL 3 HG22 VAL 3 -4.574 5.800 -6.290 25 3HG2 VAL 3 HG23 VAL 3 -4.434 4.974 -4.737 26 H GLU 4 H GLU 4 -2.904 8.590 -3.270 27 HA GLU 4 HA GLU 4 -0.389 9.788 -3.429 28 1HB GLU 4 HB2 GLU 4 -2.950 10.458 -2.028 29 2HB GLU 4 HB1 GLU 4 -1.523 11.423 -1.678 30 1HG GLU 4 HG2 GLU 4 -1.382 12.260 -3.837 31 2HG GLU 4 HG1 GLU 4 -2.202 10.864 -4.537 32 H GLN 5 H GLN 5 -1.717 7.830 -0.872 33 HA GLN 5 HA GLN 5 -0.072 8.762 1.275 34 1HB GLN 5 HB2 GLN 5 -2.039 7.228 1.535 35 2HB GLN 5 HB1 GLN 5 -1.066 5.931 0.839 36 1HG GLN 5 HG2 GLN 5 -0.840 5.694 3.203 37 2HG GLN 5 HG1 GLN 5 0.658 6.449 2.660 38 1HE2 GLN 5 HE21 GLN 5 0.826 8.855 2.957 39 2HE2 GLN 5 HE22 GLN 5 -0.066 9.602 4.193 40 H CYS 6 H CYS 6 0.510 6.415 -1.315 41 HA CYS 6 HA CYS 6 3.262 6.024 -0.236 42 1HB CYS 6 HB2 CYS 6 1.674 4.427 -2.264 43 2HB CYS 6 HB1 CYS 6 3.359 4.111 -1.854 44 H CYS 7 H CYS 7 1.580 7.797 -2.568 45 HA CYS 7 HA CYS 7 3.963 7.872 -4.345 46 1HB CYS 7 HB2 CYS 7 1.766 7.487 -5.441 47 2HB CYS 7 HB1 CYS 7 1.185 9.017 -4.815 48 H THR 8 H THR 8 1.634 10.533 -3.822 49 HA THR 8 HA THR 8 3.510 12.609 -3.782 50 HB THR 8 HB THR 8 1.757 13.487 -1.868 51 HG1 THR 8 HG1 THR 8 0.265 12.039 -1.688 52 1HG2 THR 8 HG21 THR 8 1.343 14.872 -3.585 53 2HG2 THR 8 HG22 THR 8 0.399 13.612 -4.381 54 3HG2 THR 8 HG23 THR 8 2.132 13.738 -4.682 55 H SER 9 H SER 9 2.391 10.557 -1.161 56 HA SER 9 HA SER 9 4.746 11.386 0.482 57 1HB SER 9 HB2 SER 9 2.022 10.295 1.253 58 2HB SER 9 HB1 SER 9 3.386 10.287 2.367 59 HG SER 9 HG SER 9 2.623 12.631 0.995 60 H ILE 10 H ILE 10 6.154 9.644 1.050 61 HA ILE 10 HA ILE 10 5.661 7.190 -0.517 62 HB ILE 10 HB ILE 10 8.064 8.217 1.008 63 1HG1 ILE 10 HG12 ILE 10 9.035 7.780 -1.358 64 2HG1 ILE 10 HG11 ILE 10 7.355 7.702 -1.880 65 1HG2 ILE 10 HG21 ILE 10 8.204 5.903 1.421 66 2HG2 ILE 10 HG22 ILE 10 9.114 6.096 -0.076 67 3HG2 ILE 10 HG23 ILE 10 7.459 5.493 -0.124 68 1HD1 ILE 10 HD11 ILE 10 7.426 10.003 -0.326 69 2HD1 ILE 10 HD12 ILE 10 7.474 9.957 -2.088 70 3HD1 ILE 10 HD13 ILE 10 8.976 10.034 -1.168 71 H CYS 11 H CYS 11 5.729 5.064 0.434 72 HA CYS 11 HA CYS 11 5.280 5.049 3.396 73 1HB CYS 11 HB2 CYS 11 3.483 3.424 3.158 74 2HB CYS 11 HB1 CYS 11 3.085 4.851 2.207 75 H SER 12 H SER 12 5.407 2.671 4.206 76 HA SER 12 HA SER 12 7.850 1.497 2.998 77 1HB SER 12 HB2 SER 12 7.842 0.119 5.126 78 2HB SER 12 HB1 SER 12 8.010 1.855 5.374 79 HG SER 12 HG SER 12 6.405 1.365 6.719 80 H LEU 13 H LEU 13 7.847 -1.040 3.183 81 HA LEU 13 HA LEU 13 5.713 -1.997 1.484 82 1HB LEU 13 HB2 LEU 13 8.139 -3.163 2.775 83 2HB LEU 13 HB1 LEU 13 6.876 -4.281 2.261 84 HG LEU 13 HG LEU 13 8.720 -3.697 0.550 85 1HD1 LEU 13 HD11 LEU 13 7.102 -3.760 -1.294 86 2HD1 LEU 13 HD12 LEU 13 5.814 -3.261 -0.200 87 3HD1 LEU 13 HD13 LEU 13 6.583 -4.836 0.003 88 1HD2 LEU 13 HD21 LEU 13 8.720 -1.614 -0.479 89 2HD2 LEU 13 HD22 LEU 13 8.271 -1.148 1.162 90 3HD2 LEU 13 HD23 LEU 13 7.030 -1.303 -0.082 91 H TYR 14 H TYR 14 6.273 -1.939 4.928 92 HA TYR 14 HA TYR 14 4.469 -4.025 5.696 93 1HB TYR 14 HB2 TYR 14 6.066 -2.996 7.271 94 2HB TYR 14 HB1 TYR 14 5.193 -1.466 7.161 95 HD1 TYR 14 HD1 TYR 14 4.491 -5.100 7.824 96 HD2 TYR 14 HD2 TYR 14 3.601 -1.010 8.799 97 HE1 TYR 14 HE1 TYR 14 2.937 -5.863 9.599 98 HE2 TYR 14 HE2 TYR 14 2.045 -1.774 10.575 99 HH TYR 14 HH TYR 14 1.904 -4.057 12.037 100 H GLN 15 H GLN 15 3.994 -0.594 4.954 101 HA GLN 15 HA GLN 15 1.174 -0.611 5.691 102 1HB GLN 15 HB2 GLN 15 2.738 1.319 3.927 103 2HB GLN 15 HB1 GLN 15 1.148 1.625 4.623 104 1HG GLN 15 HG2 GLN 15 2.719 0.839 6.800 105 2HG GLN 15 HG1 GLN 15 3.776 1.884 5.850 106 1HE2 GLN 15 HE21 GLN 15 3.659 3.856 6.989 107 2HE2 GLN 15 HE22 GLN 15 2.210 4.669 7.334 108 H LEU 16 H LEU 16 2.953 -0.705 2.572 109 HA LEU 16 HA LEU 16 0.756 -0.804 0.834 110 1HB LEU 16 HB2 LEU 16 3.525 -1.607 0.750 111 2HB LEU 16 HB1 LEU 16 2.517 -2.788 -0.091 112 HG LEU 16 HG LEU 16 1.640 -1.156 -1.568 113 1HD1 LEU 16 HD11 LEU 16 2.497 0.735 0.578 114 2HD1 LEU 16 HD12 LEU 16 1.025 0.734 -0.394 115 3HD1 LEU 16 HD13 LEU 16 2.536 1.330 -1.082 116 1HD2 LEU 16 HD21 LEU 16 3.929 0.244 -1.994 117 2HD2 LEU 16 HD22 LEU 16 3.670 -1.414 -2.535 118 3HD2 LEU 16 HD23 LEU 16 4.534 -1.102 -1.029 119 H GLU 17 H GLU 17 1.887 -3.094 3.160 120 HA GLU 17 HA GLU 17 0.295 -5.362 2.202 121 1HB GLU 17 HB2 GLU 17 1.797 -4.767 4.764 122 2HB GLU 17 HB1 GLU 17 0.805 -6.212 4.584 123 1HG GLU 17 HG2 GLU 17 2.841 -5.583 2.474 124 2HG GLU 17 HG1 GLU 17 3.380 -6.286 4.000 125 H ASN 18 H ASN 18 0.040 -2.750 4.511 126 HA ASN 18 HA ASN 18 -2.302 -3.590 5.868 127 1HB ASN 18 HB2 ASN 18 -1.997 -1.657 7.009 128 2HB ASN 18 HB1 ASN 18 -0.526 -1.510 6.072 129 1HD2 ASN 18 HD21 ASN 18 -1.418 -0.803 3.595 130 2HD2 ASN 18 HD22 ASN 18 -2.227 0.666 3.690 131 H TYR 19 H TYR 19 -1.854 -2.389 2.650 132 HA TYR 19 HA TYR 19 -4.799 -2.001 2.411 133 1HB TYR 19 HB2 TYR 19 -2.593 -1.164 0.496 134 2HB TYR 19 HB1 TYR 19 -4.315 -0.913 0.240 135 HD1 TYR 19 HD1 TYR 19 -1.794 1.047 0.731 136 HD2 TYR 19 HD2 TYR 19 -5.157 -0.291 3.041 137 HE1 TYR 19 HE1 TYR 19 -1.683 3.117 2.086 138 HE2 TYR 19 HE2 TYR 19 -5.049 1.766 4.408 139 HH TYR 19 HH TYR 19 -2.932 4.442 3.542 140 H CYS 20 H CYS 20 -2.508 -4.352 2.050 141 HA CYS 20 HA CYS 20 -3.269 -5.533 -0.476 142 1HB CYS 20 HB2 CYS 20 -1.775 -6.398 1.969 143 2HB CYS 20 HB1 CYS 20 -2.255 -7.611 0.815 144 H ASN 21 H ASN 21 -3.920 -8.189 0.235 145 HA ASN 21 HA ASN 21 -6.541 -7.813 1.638 146 1HB ASN 21 HB2 ASN 21 -6.118 -8.642 -1.007 147 2HB ASN 21 HB1 ASN 21 -6.452 -10.130 -0.120 148 1HD2 ASN 21 HD21 ASN 21 -7.746 -6.838 0.523 149 2HD2 ASN 21 HD22 ASN 21 -9.372 -7.274 0.309 150 1H PHE 1 HT1 PHE 1 13.249 -1.245 -0.134 151 2H PHE 1 HT2 PHE 1 12.678 -0.406 -1.496 152 3H PHE 1 HT3 PHE 1 13.023 -2.066 -1.601 153 HA PHE 1 HA PHE 1 10.579 -1.242 -1.341 154 1HB PHE 1 HB2 PHE 1 12.049 -3.624 -0.562 155 2HB PHE 1 HB1 PHE 1 10.640 -3.392 0.472 156 HD1 PHE 1 HD1 PHE 1 10.789 -2.114 -2.989 157 HD2 PHE 1 HD2 PHE 1 9.383 -5.277 -0.439 158 HE1 PHE 1 HE1 PHE 1 9.310 -2.927 -4.807 159 HE2 PHE 1 HE2 PHE 1 7.907 -6.088 -2.259 160 HZ PHE 1 HZ PHE 1 7.869 -4.912 -4.443 161 H VAL 2 H VAL 2 11.928 0.681 0.244 162 HA VAL 2 HA VAL 2 10.412 0.410 2.808 163 HB VAL 2 HB VAL 2 12.247 1.558 3.972 164 1HG1 VAL 2 HG11 VAL 2 12.215 -0.997 3.547 165 2HG1 VAL 2 HG12 VAL 2 13.732 -0.279 4.091 166 3HG1 VAL 2 HG13 VAL 2 13.506 -0.681 2.389 167 1HG2 VAL 2 HG21 VAL 2 13.171 2.937 2.251 168 2HG2 VAL 2 HG22 VAL 2 13.473 1.548 1.204 169 3HG2 VAL 2 HG23 VAL 2 14.439 1.782 2.663 170 H ASN 3 H ASN 3 12.028 2.648 0.558 171 HA ASN 3 HA ASN 3 9.908 4.670 1.190 172 1HB ASN 3 HB2 ASN 3 12.848 4.992 0.571 173 2HB ASN 3 HB1 ASN 3 11.710 6.310 0.290 174 1HD2 ASN 3 HD21 ASN 3 10.993 7.502 2.109 175 2HD2 ASN 3 HD22 ASN 3 11.433 7.136 3.707 176 H GLN 4 H GLN 4 8.574 3.803 -0.480 177 HA GLN 4 HA GLN 4 9.687 4.192 -3.222 178 1HB GLN 4 HB2 GLN 4 8.726 1.858 -2.191 179 2HB GLN 4 HB1 GLN 4 7.269 2.522 -2.930 180 1HG GLN 4 HG2 GLN 4 8.548 1.126 -4.533 181 2HG GLN 4 HG1 GLN 4 8.456 2.806 -5.062 182 1HE2 GLN 4 HE21 GLN 4 10.442 3.515 -5.845 183 2HE2 GLN 4 HE22 GLN 4 11.956 3.049 -5.236 184 H HIS 5 H HIS 5 8.484 5.307 -4.703 185 HA HIS 5 HA HIS 5 6.149 6.827 -3.642 186 1HB HIS 5 HB2 HIS 5 7.728 7.471 -6.143 187 2HB HIS 5 HB1 HIS 5 6.701 8.552 -5.205 188 HD2 HIS 5 HD2 HIS 5 9.805 6.369 -3.976 189 HE1 HIS 5 HE1 HIS 5 10.325 10.392 -2.788 190 HE2 HIS 5 HE2 HIS 5 11.321 8.045 -2.692 191 H LEU 6 H LEU 6 5.012 4.690 -4.117 192 HA LEU 6 HA LEU 6 4.643 3.939 -6.905 193 1HB LEU 6 HB2 LEU 6 3.365 3.112 -4.321 194 2HB LEU 6 HB1 LEU 6 2.788 2.535 -5.877 195 HG LEU 6 HG LEU 6 4.583 1.136 -6.148 196 1HD1 LEU 6 HD11 LEU 6 6.310 3.172 -4.699 197 2HD1 LEU 6 HD12 LEU 6 6.178 3.007 -6.450 198 3HD1 LEU 6 HD13 LEU 6 6.895 1.711 -5.495 199 1HD2 LEU 6 HD21 LEU 6 5.671 0.597 -3.849 200 2HD2 LEU 6 HD22 LEU 6 3.931 0.359 -4.024 201 3HD2 LEU 6 HD23 LEU 6 4.547 1.798 -3.210 202 H CYS 7 H CYS 7 3.174 4.707 -8.291 203 HA CYS 7 HA CYS 7 0.754 6.001 -7.169 204 1HB CYS 7 HB2 CYS 7 1.935 7.250 -9.610 205 2HB CYS 7 HB1 CYS 7 1.027 7.997 -8.297 206 H GLY 8 H GLY 8 -1.055 5.945 -8.669 207 1HA GLY 8 HA2 GLY 8 -2.406 4.712 -10.152 208 2HA GLY 8 HA1 GLY 8 -1.147 5.141 -11.306 209 H SER 9 H SER 9 -0.915 3.268 -12.457 210 HA SER 9 HA SER 9 -1.224 0.630 -11.574 211 1HB SER 9 HB2 SER 9 0.716 0.308 -13.444 212 2HB SER 9 HB1 SER 9 -0.978 0.596 -13.834 213 HG SER 9 HG SER 9 -0.540 2.685 -14.238 214 H ASP 10 H ASP 10 1.839 2.513 -11.648 215 HA ASP 10 HA ASP 10 3.611 0.564 -10.738 216 1HB ASP 10 HB2 ASP 10 3.433 3.454 -9.806 217 2HB ASP 10 HB1 ASP 10 4.832 2.403 -9.571 218 H LEU 11 H LEU 11 0.985 2.086 -9.039 219 HA LEU 11 HA LEU 11 1.779 1.157 -6.401 220 1HB LEU 11 HB2 LEU 11 0.222 3.131 -7.000 221 2HB LEU 11 HB1 LEU 11 -1.014 1.905 -7.264 222 HG LEU 11 HG LEU 11 -0.892 1.175 -4.972 223 1HD1 LEU 11 HD11 LEU 11 0.694 2.233 -3.379 224 2HD1 LEU 11 HD12 LEU 11 1.440 3.093 -4.721 225 3HD1 LEU 11 HD13 LEU 11 1.539 1.334 -4.636 226 1HD2 LEU 11 HD21 LEU 11 -0.828 4.175 -5.302 227 2HD2 LEU 11 HD22 LEU 11 -1.270 3.391 -3.785 228 3HD2 LEU 11 HD23 LEU 11 -2.246 3.129 -5.232 229 H THR 12 H THR 12 -0.750 0.179 -8.738 230 HA THR 12 HA THR 12 -1.617 -2.138 -7.338 231 HB THR 12 HB THR 12 -1.487 -1.495 -10.290 232 HG1 THR 12 HG1 THR 12 -3.901 -1.932 -9.136 233 1HG2 THR 12 HG21 THR 12 -1.884 -4.066 -9.014 234 2HG2 THR 12 HG22 THR 12 -1.782 -3.679 -10.733 235 3HG2 THR 12 HG23 THR 12 -3.331 -3.574 -9.895 236 H GLU 13 H GLU 13 0.872 -1.776 -9.868 237 HA GLU 13 HA GLU 13 1.813 -4.384 -10.057 238 1HB GLU 13 HB2 GLU 13 2.848 -1.731 -10.554 239 2HB GLU 13 HB1 GLU 13 4.125 -2.749 -9.898 240 1HG GLU 13 HG2 GLU 13 3.248 -4.520 -11.614 241 2HG GLU 13 HG1 GLU 13 2.519 -3.125 -12.412 242 H ALA 14 H ALA 14 2.854 -1.935 -7.661 243 HA ALA 14 HA ALA 14 4.491 -3.744 -6.147 244 1HB ALA 14 HB1 ALA 14 3.195 -1.087 -5.584 245 2HB ALA 14 HB2 ALA 14 4.911 -1.481 -5.683 246 3HB ALA 14 HB3 ALA 14 3.971 -1.982 -4.278 247 H LEU 15 H LEU 15 1.194 -2.491 -5.539 248 HA LEU 15 HA LEU 15 0.536 -4.052 -3.291 249 1HB LEU 15 HB2 LEU 15 -1.060 -2.943 -5.583 250 2HB LEU 15 HB1 LEU 15 -1.844 -3.996 -4.407 251 HG LEU 15 HG LEU 15 -0.243 -1.540 -3.645 252 1HD1 LEU 15 HD11 LEU 15 -3.070 -1.895 -4.497 253 2HD1 LEU 15 HD12 LEU 15 -2.033 -0.474 -4.608 254 3HD1 LEU 15 HD13 LEU 15 -2.804 -0.886 -3.075 255 1HD2 LEU 15 HD21 LEU 15 -0.582 -2.226 -1.521 256 2HD2 LEU 15 HD22 LEU 15 -1.193 -3.748 -2.169 257 3HD2 LEU 15 HD23 LEU 15 -2.308 -2.428 -1.814 258 H TYR 16 H TYR 16 -0.291 -4.809 -6.657 259 HA TYR 16 HA TYR 16 -1.223 -7.392 -6.424 260 1HB TYR 16 HB2 TYR 16 -0.643 -5.814 -8.481 261 2HB TYR 16 HB1 TYR 16 0.784 -6.825 -8.556 262 HD1 TYR 16 HD1 TYR 16 -2.563 -7.992 -7.415 263 HD2 TYR 16 HD2 TYR 16 0.319 -7.952 -10.606 264 HE1 TYR 16 HE1 TYR 16 -3.852 -9.741 -8.598 265 HE2 TYR 16 HE2 TYR 16 -0.973 -9.708 -11.790 266 HH TYR 16 HH TYR 16 -3.374 -10.515 -11.826 267 H LEU 17 H LEU 17 2.104 -6.318 -6.026 268 HA LEU 17 HA LEU 17 3.044 -9.126 -5.962 269 1HB LEU 17 HB2 LEU 17 4.262 -7.016 -7.018 270 2HB LEU 17 HB1 LEU 17 4.851 -6.824 -5.364 271 HG LEU 17 HG LEU 17 5.105 -9.316 -7.079 272 1HD1 LEU 17 HD11 LEU 17 6.704 -6.983 -6.909 273 2HD1 LEU 17 HD12 LEU 17 7.098 -8.497 -7.721 274 3HD1 LEU 17 HD13 LEU 17 7.571 -8.249 -6.040 275 1HD2 LEU 17 HD21 LEU 17 6.610 -9.981 -5.074 276 2HD2 LEU 17 HD22 LEU 17 4.864 -10.096 -4.859 277 3HD2 LEU 17 HD23 LEU 17 5.746 -8.724 -4.190 278 H VAL 18 H VAL 18 3.295 -6.252 -3.809 279 HA VAL 18 HA VAL 18 4.384 -7.461 -1.559 280 HB VAL 18 HB VAL 18 2.410 -5.981 -0.344 281 1HG1 VAL 18 HG11 VAL 18 5.171 -5.617 -1.211 282 2HG1 VAL 18 HG12 VAL 18 4.403 -5.187 0.318 283 3HG1 VAL 18 HG13 VAL 18 4.293 -4.094 -1.062 284 1HG2 VAL 18 HG21 VAL 18 1.804 -5.538 -2.922 285 2HG2 VAL 18 HG22 VAL 18 3.058 -4.314 -2.722 286 3HG2 VAL 18 HG23 VAL 18 1.630 -4.291 -1.688 287 H CYS 19 H CYS 19 1.097 -7.734 -2.707 288 HA CYS 19 HA CYS 19 0.434 -9.522 -0.427 289 1HB CYS 19 HB2 CYS 19 -1.608 -9.199 -2.515 290 2HB CYS 19 HB1 CYS 19 -1.734 -8.957 -0.784 291 H GLY 20 H GLY 20 -0.316 -9.645 -3.903 292 1HA GLY 20 HA2 GLY 20 0.030 -11.375 -5.470 293 2HA GLY 20 HA1 GLY 20 1.108 -12.147 -4.306 294 H GLU 21 H GLU 21 0.356 -14.058 -3.509 295 HA GLU 21 HA GLU 21 -2.194 -15.121 -4.105 296 1HB GLU 21 HB2 GLU 21 -0.407 -15.744 -1.731 297 2HB GLU 21 HB1 GLU 21 -1.745 -16.750 -2.285 298 1HG GLU 21 HG2 GLU 21 0.237 -16.000 -4.358 299 2HG GLU 21 HG1 GLU 21 0.818 -17.101 -3.109 300 H ARG 22 H ARG 22 -1.124 -12.974 -1.584 301 HA ARG 22 HA ARG 22 -3.585 -13.202 -0.029 302 1HB ARG 22 HB2 ARG 22 -1.387 -11.115 0.062 303 2HB ARG 22 HB1 ARG 22 -2.667 -11.311 1.259 304 1HG ARG 22 HG2 ARG 22 -0.616 -13.429 0.550 305 2HG ARG 22 HG1 ARG 22 -0.555 -12.402 1.982 306 1HD ARG 22 HD2 ARG 22 -1.788 -13.984 3.018 307 2HD ARG 22 HD1 ARG 22 -3.139 -13.444 2.021 308 HE ARG 22 HE ARG 22 -2.263 -15.198 0.330 309 1HH1 ARG 22 HH21 ARG 22 -0.005 -16.092 2.122 310 2HH1 ARG 22 HH22 ARG 22 -0.688 -17.492 2.879 311 1HH2 ARG 22 HH11 ARG 22 -3.951 -16.697 2.008 312 2HH2 ARG 22 HH12 ARG 22 -2.923 -17.836 2.812 313 H GLY 23 H GLY 23 -2.899 -11.911 -2.993 314 1HA GLY 23 HA2 GLY 23 -3.867 -10.213 -4.301 315 2HA GLY 23 HA1 GLY 23 -5.339 -10.672 -3.446 316 H PHE 24 H PHE 24 -5.522 -8.188 -3.966 317 HA PHE 24 HA PHE 24 -4.856 -6.782 -1.428 318 1HB PHE 24 HB2 PHE 24 -4.122 -4.781 -2.674 319 2HB PHE 24 HB1 PHE 24 -3.093 -6.149 -3.019 320 HD1 PHE 24 HD1 PHE 24 -6.293 -4.695 -4.391 321 HD2 PHE 24 HD2 PHE 24 -2.458 -6.457 -5.220 322 HE1 PHE 24 HE1 PHE 24 -6.704 -4.443 -6.814 323 HE2 PHE 24 HE2 PHE 24 -2.875 -6.196 -7.649 324 HZ PHE 24 HZ PHE 24 -4.995 -5.193 -8.445 325 H PHE 25 H PHE 25 -6.031 -4.374 -1.875 326 HA PHE 25 HA PHE 25 -8.572 -4.796 -3.303 327 1HB PHE 25 HB2 PHE 25 -9.978 -4.904 -1.510 328 2HB PHE 25 HB1 PHE 25 -8.553 -5.528 -0.689 329 HD1 PHE 25 HD1 PHE 25 -11.173 -3.439 -0.176 330 HD2 PHE 25 HD2 PHE 25 -6.882 -3.323 -0.082 331 HE1 PHE 25 HE1 PHE 25 -11.262 -1.533 1.406 332 HE2 PHE 25 HE2 PHE 25 -6.967 -1.417 1.502 333 HZ PHE 25 HZ PHE 25 -9.158 -0.519 2.247 334 H TYR 26 H TYR 26 -6.250 -3.061 -3.561 335 HA TYR 26 HA TYR 26 -6.704 -0.420 -2.645 336 1HB TYR 26 HB2 TYR 26 -4.638 -0.428 -3.592 337 2HB TYR 26 HB1 TYR 26 -5.039 -1.767 -4.658 338 HD1 TYR 26 HD1 TYR 26 -4.350 1.716 -4.473 339 HD2 TYR 26 HD2 TYR 26 -6.595 -1.196 -6.696 340 HE1 TYR 26 HE1 TYR 26 -4.484 3.286 -6.388 341 HE2 TYR 26 HE2 TYR 26 -6.726 0.371 -8.614 342 HH TYR 26 HH TYR 26 -4.800 2.933 -9.029 343 H THR 27 H THR 27 -8.081 1.175 -3.350 344 HA THR 27 HA THR 27 -9.737 0.561 -5.764 345 HB THR 27 HB THR 27 -11.279 0.202 -4.053 346 HG1 THR 27 HG1 THR 27 -12.055 1.864 -5.362 347 1HG2 THR 27 HG21 THR 27 -9.560 2.152 -2.582 348 2HG2 THR 27 HG22 THR 27 -10.197 0.595 -2.052 349 3HG2 THR 27 HG23 THR 27 -11.248 2.012 -2.087 350 H LYS 28 H LYS 28 -7.470 2.613 -4.570 351 HA LYS 28 HA LYS 28 -6.991 4.911 -4.869 352 1HB LYS 28 HB2 LYS 28 -7.253 5.596 -7.262 353 2HB LYS 28 HB1 LYS 28 -6.475 4.027 -7.079 354 1HG LYS 28 HG2 LYS 28 -8.557 2.875 -7.573 355 2HG LYS 28 HG1 LYS 28 -9.436 4.405 -7.602 356 1HD LYS 28 HD2 LYS 28 -7.631 5.043 -9.428 357 2HD LYS 28 HD1 LYS 28 -7.505 3.294 -9.605 358 1HE LYS 28 HE2 LYS 28 -10.269 4.332 -9.488 359 2HE LYS 28 HE1 LYS 28 -9.348 4.824 -10.910 360 1HZ LYS 28 HZ1 LYS 28 -10.436 2.754 -11.356 361 2HZ LYS 28 HZ2 LYS 28 -9.787 2.049 -9.952 362 3HZ LYS 28 HZ3 LYS 28 -8.768 2.469 -11.244 363 HA PRO 29 HA PRO 29 -11.458 6.135 -4.322 364 1HB PRO 29 HB2 PRO 29 -11.312 6.600 -1.615 365 2HB PRO 29 HB1 PRO 29 -11.763 5.037 -2.318 366 1HG PRO 29 HG2 PRO 29 -9.197 5.844 -1.028 367 2HG PRO 29 HG1 PRO 29 -9.931 4.236 -1.157 368 1HD PRO 29 HD2 PRO 29 -7.805 5.216 -2.744 369 2HD PRO 29 HD1 PRO 29 -8.773 3.763 -3.074 370 H THR 30 H THR 30 -11.856 8.292 -4.702 371 HA THR 30 HA THR 30 -9.931 10.279 -3.561 372 HB THR 30 HB THR 30 -11.352 10.590 -6.213 373 HG1 THR 30 HG1 THR 30 -8.689 9.737 -5.757 374 1HG2 THR 30 HG21 THR 30 -9.522 12.253 -6.565 375 2HG2 THR 30 HG22 THR 30 -8.978 11.952 -4.914 376 3HG2 THR 30 HG23 THR 30 -10.567 12.660 -5.204 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -5.664 9.263 0.687 2 2H GLY 1 HT2 GLY 1 -7.293 9.311 0.209 3 3H GLY 1 HT3 GLY 1 -6.083 9.889 -0.834 4 1HA GLY 1 HA1 GLY 1 -6.462 7.087 -0.104 5 2HA GLY 1 HA2 GLY 1 -6.797 7.778 -1.720 6 H ILE 2 H ILE 2 -5.710 5.293 -0.890 7 HA ILE 2 HA ILE 2 -3.104 5.213 0.245 8 HB ILE 2 HB ILE 2 -4.896 3.311 -0.593 9 1HG1 ILE 2 HG12 ILE 2 -2.278 2.134 -0.377 10 2HG1 ILE 2 HG11 ILE 2 -2.461 3.446 0.793 11 1HG2 ILE 2 HG21 ILE 2 -3.888 3.732 -2.969 12 2HG2 ILE 2 HG22 ILE 2 -4.109 2.072 -2.415 13 3HG2 ILE 2 HG23 ILE 2 -2.511 2.815 -2.355 14 1HD1 ILE 2 HD11 ILE 2 -4.882 2.282 1.043 15 2HD1 ILE 2 HD12 ILE 2 -3.491 1.814 2.023 16 3HD1 ILE 2 HD13 ILE 2 -3.923 0.870 0.597 17 H VAL 3 H VAL 3 -4.189 5.970 -2.997 18 HA VAL 3 HA VAL 3 -1.777 5.580 -4.422 19 HB VAL 3 HB VAL 3 -3.720 7.849 -4.880 20 1HG1 VAL 3 HG11 VAL 3 -1.911 8.154 -6.337 21 2HG1 VAL 3 HG12 VAL 3 -3.000 7.162 -7.309 22 3HG1 VAL 3 HG13 VAL 3 -1.622 6.421 -6.495 23 1HG2 VAL 3 HG21 VAL 3 -4.182 5.546 -6.540 24 2HG2 VAL 3 HG22 VAL 3 -5.297 6.338 -5.427 25 3HG2 VAL 3 HG23 VAL 3 -4.236 5.054 -4.848 26 H GLU 4 H GLU 4 -2.924 8.811 -3.465 27 HA GLU 4 HA GLU 4 -0.347 9.962 -3.673 28 1HB GLU 4 HB2 GLU 4 -2.292 11.107 -1.709 29 2HB GLU 4 HB1 GLU 4 -1.324 11.920 -2.932 30 1HG GLU 4 HG2 GLU 4 -2.812 10.717 -4.660 31 2HG GLU 4 HG1 GLU 4 -3.896 10.398 -3.306 32 H GLN 5 H GLN 5 -1.871 8.159 -1.110 33 HA GLN 5 HA GLN 5 -0.313 8.999 1.106 34 1HB GLN 5 HB2 GLN 5 -2.171 7.492 1.462 35 2HB GLN 5 HB1 GLN 5 -1.444 6.273 0.412 36 1HG GLN 5 HG2 GLN 5 0.158 5.674 1.979 37 2HG GLN 5 HG1 GLN 5 0.126 7.252 2.767 38 1HE2 GLN 5 HE21 GLN 5 -0.166 5.989 4.842 39 2HE2 GLN 5 HE22 GLN 5 -1.716 5.434 5.252 40 H CYS 6 H CYS 6 0.298 6.300 -1.167 41 HA CYS 6 HA CYS 6 3.115 6.252 -0.220 42 1HB CYS 6 HB2 CYS 6 1.514 4.309 -1.906 43 2HB CYS 6 HB1 CYS 6 3.236 4.130 -1.568 44 H CYS 7 H CYS 7 1.339 7.782 -2.568 45 HA CYS 7 HA CYS 7 3.488 7.557 -4.614 46 1HB CYS 7 HB2 CYS 7 1.178 7.369 -5.474 47 2HB CYS 7 HB1 CYS 7 0.764 8.912 -4.742 48 H THR 8 H THR 8 1.502 10.448 -3.952 49 HA THR 8 HA THR 8 3.539 12.336 -4.267 50 HB THR 8 HB THR 8 2.234 13.718 -2.523 51 HG1 THR 8 HG1 THR 8 1.201 12.324 -1.286 52 1HG2 THR 8 HG21 THR 8 0.885 14.372 -4.224 53 2HG2 THR 8 HG22 THR 8 0.196 12.760 -4.416 54 3HG2 THR 8 HG23 THR 8 1.744 13.151 -5.165 55 H SER 9 H SER 9 2.668 10.424 -1.460 56 HA SER 9 HA SER 9 5.200 11.244 -0.106 57 1HB SER 9 HB2 SER 9 2.536 10.821 0.879 58 2HB SER 9 HB1 SER 9 3.566 9.559 1.545 59 HG SER 9 HG SER 9 3.842 11.242 2.899 60 H ILE 10 H ILE 10 6.183 9.168 1.076 61 HA ILE 10 HA ILE 10 5.824 6.870 -0.810 62 HB ILE 10 HB ILE 10 8.388 7.822 0.511 63 1HG1 ILE 10 HG12 ILE 10 9.165 8.144 -1.795 64 2HG1 ILE 10 HG11 ILE 10 7.617 7.578 -2.414 65 1HG2 ILE 10 HG21 ILE 10 7.528 5.241 -0.458 66 2HG2 ILE 10 HG22 ILE 10 9.048 5.680 0.308 67 3HG2 ILE 10 HG23 ILE 10 8.861 5.841 -1.438 68 1HD1 ILE 10 HD11 ILE 10 7.465 9.825 -0.496 69 2HD1 ILE 10 HD12 ILE 10 6.584 9.563 -2.003 70 3HD1 ILE 10 HD13 ILE 10 8.227 10.196 -2.041 71 H CYS 11 H CYS 11 5.907 4.751 0.144 72 HA CYS 11 HA CYS 11 6.029 4.730 3.132 73 1HB CYS 11 HB2 CYS 11 4.020 3.381 3.285 74 2HB CYS 11 HB1 CYS 11 3.642 4.846 2.383 75 H SER 12 H SER 12 5.793 2.224 3.810 76 HA SER 12 HA SER 12 7.814 0.784 2.141 77 1HB SER 12 HB2 SER 12 7.893 -0.590 4.428 78 2HB SER 12 HB1 SER 12 8.814 0.894 4.218 79 HG SER 12 HG SER 12 6.289 0.551 5.459 80 H LEU 13 H LEU 13 7.542 -1.758 2.743 81 HA LEU 13 HA LEU 13 5.061 -2.531 1.498 82 1HB LEU 13 HB2 LEU 13 6.927 -4.352 3.034 83 2HB LEU 13 HB1 LEU 13 5.844 -4.784 1.710 84 HG LEU 13 HG LEU 13 8.368 -3.125 1.576 85 1HD1 LEU 13 HD11 LEU 13 9.172 -4.828 0.168 86 2HD1 LEU 13 HD12 LEU 13 7.551 -5.423 -0.190 87 3HD1 LEU 13 HD13 LEU 13 8.269 -5.721 1.392 88 1HD2 LEU 13 HD21 LEU 13 6.050 -3.322 -0.351 89 2HD2 LEU 13 HD22 LEU 13 7.683 -2.983 -0.926 90 3HD2 LEU 13 HD23 LEU 13 6.900 -1.878 0.204 91 H TYR 14 H TYR 14 6.226 -2.547 4.860 92 HA TYR 14 HA TYR 14 4.214 -4.040 6.090 93 1HB TYR 14 HB2 TYR 14 6.078 -3.021 7.350 94 2HB TYR 14 HB1 TYR 14 5.385 -1.421 7.085 95 HD1 TYR 14 HD1 TYR 14 4.670 -4.762 8.594 96 HD2 TYR 14 HD2 TYR 14 3.684 -0.578 8.506 97 HE1 TYR 14 HE1 TYR 14 3.211 -5.063 10.576 98 HE2 TYR 14 HE2 TYR 14 2.223 -0.883 10.489 99 HH TYR 14 HH TYR 14 2.207 -2.699 12.502 100 H GLN 15 H GLN 15 4.088 -0.681 4.951 101 HA GLN 15 HA GLN 15 1.366 -0.304 5.892 102 1HB GLN 15 HB2 GLN 15 2.844 1.295 3.786 103 2HB GLN 15 HB1 GLN 15 1.493 1.836 4.784 104 1HG GLN 15 HG2 GLN 15 3.053 1.210 6.786 105 2HG GLN 15 HG1 GLN 15 4.343 1.321 5.589 106 1HE2 GLN 15 HE21 GLN 15 4.868 3.238 7.218 107 2HE2 GLN 15 HE22 GLN 15 4.202 4.745 6.812 108 H LEU 16 H LEU 16 2.805 -0.736 2.634 109 HA LEU 16 HA LEU 16 0.317 -0.937 1.255 110 1HB LEU 16 HB2 LEU 16 3.100 -1.411 0.670 111 2HB LEU 16 HB1 LEU 16 2.102 -2.704 -0.007 112 HG LEU 16 HG LEU 16 0.676 -1.104 -1.129 113 1HD1 LEU 16 HD11 LEU 16 0.413 0.977 -0.320 114 2HD1 LEU 16 HD12 LEU 16 2.108 1.339 -0.649 115 3HD1 LEU 16 HD13 LEU 16 1.640 0.638 0.900 116 1HD2 LEU 16 HD21 LEU 16 3.340 0.105 -1.657 117 2HD2 LEU 16 HD22 LEU 16 2.149 -0.536 -2.790 118 3HD2 LEU 16 HD23 LEU 16 3.182 -1.638 -1.879 119 H GLU 17 H GLU 17 1.856 -2.978 3.524 120 HA GLU 17 HA GLU 17 0.631 -5.491 2.700 121 1HB GLU 17 HB2 GLU 17 2.048 -4.549 5.200 122 2HB GLU 17 HB1 GLU 17 1.264 -6.125 5.133 123 1HG GLU 17 HG2 GLU 17 3.235 -5.272 3.014 124 2HG GLU 17 HG1 GLU 17 3.773 -6.014 4.522 125 H ASN 18 H ASN 18 -0.056 -2.903 5.013 126 HA ASN 18 HA ASN 18 -2.327 -4.122 6.242 127 1HB ASN 18 HB2 ASN 18 -1.960 -1.154 5.838 128 2HB ASN 18 HB1 ASN 18 -2.697 -1.994 7.197 129 1HD2 ASN 18 HD21 ASN 18 -0.343 -4.036 6.988 130 2HD2 ASN 18 HD22 ASN 18 0.931 -3.240 7.773 131 H TYR 19 H TYR 19 -1.798 -2.779 3.148 132 HA TYR 19 HA TYR 19 -4.667 -2.247 2.686 133 1HB TYR 19 HB2 TYR 19 -2.421 -2.065 0.669 134 2HB TYR 19 HB1 TYR 19 -3.985 -1.247 0.630 135 HD1 TYR 19 HD1 TYR 19 -1.225 0.107 0.466 136 HD2 TYR 19 HD2 TYR 19 -3.845 -0.729 3.770 137 HE1 TYR 19 HE1 TYR 19 -0.255 2.015 1.721 138 HE2 TYR 19 HE2 TYR 19 -2.874 1.179 5.023 139 HH TYR 19 HH TYR 19 -1.501 3.558 3.962 140 H CYS 20 H CYS 20 -2.364 -4.745 2.372 141 HA CYS 20 HA CYS 20 -3.489 -6.150 0.125 142 1HB CYS 20 HB2 CYS 20 -1.881 -7.129 2.484 143 2HB CYS 20 HB1 CYS 20 -2.137 -8.021 1.018 144 H ASN 21 H ASN 21 -4.802 -8.187 0.360 145 HA ASN 21 HA ASN 21 -7.038 -7.850 2.089 146 1HB ASN 21 HB2 ASN 21 -6.523 -9.516 0.011 147 2HB ASN 21 HB1 ASN 21 -6.352 -10.640 1.354 148 1HD2 ASN 21 HD21 ASN 21 -8.258 -10.023 3.138 149 2HD2 ASN 21 HD22 ASN 21 -9.809 -9.998 2.447 150 1H PHE 1 HT1 PHE 1 10.907 -3.066 1.351 151 2H PHE 1 HT2 PHE 1 10.930 -4.116 0.016 152 3H PHE 1 HT3 PHE 1 9.652 -3.015 0.214 153 HA PHE 1 HA PHE 1 12.361 -2.569 -0.779 154 1HB PHE 1 HB2 PHE 1 9.734 -1.158 -1.325 155 2HB PHE 1 HB1 PHE 1 11.198 -1.102 -2.305 156 HD1 PHE 1 HD1 PHE 1 8.340 -2.005 -3.151 157 HD2 PHE 1 HD2 PHE 1 11.830 -4.140 -1.838 158 HE1 PHE 1 HE1 PHE 1 7.584 -4.007 -4.403 159 HE2 PHE 1 HE2 PHE 1 11.074 -6.145 -3.090 160 HZ PHE 1 HZ PHE 1 8.952 -6.078 -4.372 161 H VAL 2 H VAL 2 12.832 -0.084 -0.969 162 HA VAL 2 HA VAL 2 12.183 1.225 1.642 163 HB VAL 2 HB VAL 2 14.496 0.426 1.706 164 1HG1 VAL 2 HG11 VAL 2 14.981 2.118 -0.760 165 2HG1 VAL 2 HG12 VAL 2 14.711 0.376 -0.826 166 3HG1 VAL 2 HG13 VAL 2 16.114 1.019 0.028 167 1HG2 VAL 2 HG21 VAL 2 15.280 3.149 1.222 168 2HG2 VAL 2 HG22 VAL 2 15.010 2.345 2.769 169 3HG2 VAL 2 HG23 VAL 2 13.670 3.141 1.944 170 H ASN 3 H ASN 3 11.711 3.437 1.507 171 HA ASN 3 HA ASN 3 10.847 5.330 0.389 172 1HB ASN 3 HB2 ASN 3 13.372 4.886 -1.239 173 2HB ASN 3 HB1 ASN 3 12.477 6.399 -1.106 174 1HD2 ASN 3 HD21 ASN 3 15.004 6.749 -0.312 175 2HD2 ASN 3 HD22 ASN 3 15.172 6.726 1.377 176 H GLN 4 H GLN 4 9.470 3.183 -0.456 177 HA GLN 4 HA GLN 4 9.699 2.788 -3.333 178 1HB GLN 4 HB2 GLN 4 8.621 1.328 -1.266 179 2HB GLN 4 HB1 GLN 4 7.178 1.991 -2.021 180 1HG GLN 4 HG2 GLN 4 9.076 -0.048 -3.029 181 2HG GLN 4 HG1 GLN 4 7.359 0.144 -3.353 182 1HE2 GLN 4 HE21 GLN 4 9.865 -0.190 -5.175 183 2HE2 GLN 4 HE22 GLN 4 9.676 1.043 -6.327 184 H HIS 5 H HIS 5 8.983 4.277 -4.750 185 HA HIS 5 HA HIS 5 6.823 6.170 -3.976 186 1HB HIS 5 HB2 HIS 5 8.418 6.120 -6.555 187 2HB HIS 5 HB1 HIS 5 7.519 7.477 -5.877 188 HD2 HIS 5 HD2 HIS 5 10.875 5.513 -5.211 189 HE1 HIS 5 HE1 HIS 5 10.952 9.123 -3.014 190 HE2 HIS 5 HE2 HIS 5 12.308 7.075 -3.704 191 H LEU 6 H LEU 6 4.871 5.102 -4.269 192 HA LEU 6 HA LEU 6 4.479 3.626 -6.838 193 1HB LEU 6 HB2 LEU 6 3.245 3.423 -4.122 194 2HB LEU 6 HB1 LEU 6 2.370 2.868 -5.536 195 HG LEU 6 HG LEU 6 3.804 1.097 -5.900 196 1HD1 LEU 6 HD11 LEU 6 6.191 1.101 -5.176 197 2HD1 LEU 6 HD12 LEU 6 5.961 2.720 -4.515 198 3HD1 LEU 6 HD13 LEU 6 5.814 2.446 -6.251 199 1HD2 LEU 6 HD21 LEU 6 4.616 1.455 -3.034 200 2HD2 LEU 6 HD22 LEU 6 4.085 -0.007 -3.866 201 3HD2 LEU 6 HD23 LEU 6 2.911 1.234 -3.427 202 H CYS 7 H CYS 7 2.757 4.158 -8.173 203 HA CYS 7 HA CYS 7 0.797 6.162 -7.307 204 1HB CYS 7 HB2 CYS 7 2.590 6.740 -9.675 205 2HB CYS 7 HB1 CYS 7 1.315 7.775 -9.045 206 H GLY 8 H GLY 8 -1.110 5.876 -8.446 207 1HA GLY 8 HA2 GLY 8 -2.623 4.624 -9.759 208 2HA GLY 8 HA1 GLY 8 -1.574 5.183 -11.059 209 H SER 9 H SER 9 -0.700 3.599 -12.275 210 HA SER 9 HA SER 9 -1.092 0.837 -11.751 211 1HB SER 9 HB2 SER 9 1.079 0.923 -13.471 212 2HB SER 9 HB1 SER 9 -0.616 0.939 -13.949 213 HG SER 9 HG SER 9 -0.112 2.825 -14.740 214 H ASP 10 H ASP 10 2.056 2.601 -11.676 215 HA ASP 10 HA ASP 10 3.673 0.581 -10.677 216 1HB ASP 10 HB2 ASP 10 3.647 3.487 -9.799 217 2HB ASP 10 HB1 ASP 10 4.965 2.359 -9.485 218 H LEU 11 H LEU 11 1.200 2.388 -8.982 219 HA LEU 11 HA LEU 11 1.871 1.391 -6.340 220 1HB LEU 11 HB2 LEU 11 0.564 3.472 -6.716 221 2HB LEU 11 HB1 LEU 11 -0.735 2.510 -7.417 222 HG LEU 11 HG LEU 11 -1.051 1.336 -5.285 223 1HD1 LEU 11 HD11 LEU 11 1.095 3.195 -4.230 224 2HD1 LEU 11 HD12 LEU 11 1.326 1.471 -4.526 225 3HD1 LEU 11 HD13 LEU 11 0.186 2.010 -3.294 226 1HD2 LEU 11 HD21 LEU 11 -2.432 3.044 -4.843 227 2HD2 LEU 11 HD22 LEU 11 -1.392 4.150 -5.741 228 3HD2 LEU 11 HD23 LEU 11 -1.101 3.860 -4.025 229 H THR 12 H THR 12 -0.356 0.422 -8.923 230 HA THR 12 HA THR 12 -1.514 -1.764 -7.407 231 HB THR 12 HB THR 12 -1.339 -1.303 -10.398 232 HG1 THR 12 HG1 THR 12 -3.277 -0.363 -10.179 233 1HG2 THR 12 HG21 THR 12 -3.488 -2.872 -10.105 234 2HG2 THR 12 HG22 THR 12 -2.552 -3.445 -8.725 235 3HG2 THR 12 HG23 THR 12 -1.872 -3.535 -10.350 236 H GLU 13 H GLU 13 1.045 -1.478 -9.869 237 HA GLU 13 HA GLU 13 1.771 -4.156 -10.158 238 1HB GLU 13 HB2 GLU 13 3.025 -1.583 -10.569 239 2HB GLU 13 HB1 GLU 13 4.205 -2.734 -9.943 240 1HG GLU 13 HG2 GLU 13 2.662 -4.145 -11.850 241 2HG GLU 13 HG1 GLU 13 3.054 -2.589 -12.583 242 H ALA 14 H ALA 14 3.332 -1.924 -7.812 243 HA ALA 14 HA ALA 14 4.644 -3.945 -6.319 244 1HB ALA 14 HB1 ALA 14 5.017 -2.298 -4.670 245 2HB ALA 14 HB2 ALA 14 3.493 -1.480 -5.015 246 3HB ALA 14 HB3 ALA 14 4.839 -1.353 -6.147 247 H LEU 15 H LEU 15 1.548 -2.309 -5.554 248 HA LEU 15 HA LEU 15 0.736 -3.845 -3.370 249 1HB LEU 15 HB2 LEU 15 -0.714 -2.474 -5.597 250 2HB LEU 15 HB1 LEU 15 -1.637 -3.569 -4.573 251 HG LEU 15 HG LEU 15 0.090 -1.315 -3.517 252 1HD1 LEU 15 HD11 LEU 15 -1.786 -0.401 -4.788 253 2HD1 LEU 15 HD12 LEU 15 -2.099 -0.200 -3.063 254 3HD1 LEU 15 HD13 LEU 15 -2.907 -1.483 -3.963 255 1HD2 LEU 15 HD21 LEU 15 -1.584 -3.472 -2.328 256 2HD2 LEU 15 HD22 LEU 15 -1.703 -1.879 -1.579 257 3HD2 LEU 15 HD23 LEU 15 -0.140 -2.690 -1.687 258 H TYR 16 H TYR 16 0.223 -4.552 -6.812 259 HA TYR 16 HA TYR 16 -1.116 -7.010 -6.598 260 1HB TYR 16 HB2 TYR 16 -0.170 -5.527 -8.657 261 2HB TYR 16 HB1 TYR 16 1.010 -6.830 -8.657 262 HD1 TYR 16 HD1 TYR 16 -2.436 -5.886 -9.306 263 HD2 TYR 16 HD2 TYR 16 0.275 -9.194 -8.915 264 HE1 TYR 16 HE1 TYR 16 -4.083 -7.361 -10.427 265 HE2 TYR 16 HE2 TYR 16 -1.371 -10.674 -10.037 266 HH TYR 16 HH TYR 16 -3.300 -10.751 -11.175 267 H LEU 17 H LEU 17 2.356 -6.322 -6.350 268 HA LEU 17 HA LEU 17 3.005 -9.172 -6.154 269 1HB LEU 17 HB2 LEU 17 4.439 -7.159 -7.105 270 2HB LEU 17 HB1 LEU 17 4.962 -7.037 -5.423 271 HG LEU 17 HG LEU 17 5.074 -9.542 -7.132 272 1HD1 LEU 17 HD11 LEU 17 6.862 -8.263 -7.894 273 2HD1 LEU 17 HD12 LEU 17 7.608 -9.128 -6.551 274 3HD1 LEU 17 HD13 LEU 17 7.081 -7.458 -6.341 275 1HD2 LEU 17 HD21 LEU 17 4.885 -10.449 -5.022 276 2HD2 LEU 17 HD22 LEU 17 5.473 -8.989 -4.228 277 3HD2 LEU 17 HD23 LEU 17 6.612 -10.093 -4.996 278 H VAL 18 H VAL 18 3.455 -6.378 -3.923 279 HA VAL 18 HA VAL 18 4.326 -7.671 -1.659 280 HB VAL 18 HB VAL 18 2.368 -6.125 -0.513 281 1HG1 VAL 18 HG11 VAL 18 5.166 -5.715 -1.400 282 2HG1 VAL 18 HG12 VAL 18 4.462 -5.611 0.214 283 3HG1 VAL 18 HG13 VAL 18 4.265 -4.277 -0.922 284 1HG2 VAL 18 HG21 VAL 18 1.798 -5.616 -3.046 285 2HG2 VAL 18 HG22 VAL 18 3.182 -4.530 -2.916 286 3HG2 VAL 18 HG23 VAL 18 1.792 -4.318 -1.852 287 H CYS 19 H CYS 19 0.991 -7.513 -2.741 288 HA CYS 19 HA CYS 19 0.307 -9.606 -0.742 289 1HB CYS 19 HB2 CYS 19 -1.885 -8.471 -2.342 290 2HB CYS 19 HB1 CYS 19 -1.756 -8.665 -0.610 291 H GLY 20 H GLY 20 -0.851 -8.766 -4.003 292 1HA GLY 20 HA2 GLY 20 -1.358 -10.155 -5.835 293 2HA GLY 20 HA1 GLY 20 0.085 -11.058 -5.362 294 H GLU 21 H GLU 21 -0.172 -13.016 -4.282 295 HA GLU 21 HA GLU 21 -2.638 -14.390 -4.454 296 1HB GLU 21 HB2 GLU 21 -0.348 -14.835 -2.507 297 2HB GLU 21 HB1 GLU 21 -1.643 -15.991 -2.819 298 1HG GLU 21 HG2 GLU 21 -0.750 -15.370 -5.364 299 2HG GLU 21 HG1 GLU 21 0.740 -15.381 -4.418 300 H ARG 22 H ARG 22 -1.322 -12.269 -1.988 301 HA ARG 22 HA ARG 22 -3.224 -12.835 0.062 302 1HB ARG 22 HB2 ARG 22 -1.351 -10.614 -0.580 303 2HB ARG 22 HB1 ARG 22 -2.618 -10.302 0.601 304 1HG ARG 22 HG2 ARG 22 -0.650 -11.103 1.775 305 2HG ARG 22 HG1 ARG 22 -1.897 -12.345 1.845 306 1HD ARG 22 HD2 ARG 22 -0.298 -13.752 1.081 307 2HD ARG 22 HD1 ARG 22 -0.545 -12.980 -0.478 308 HE ARG 22 HE ARG 22 1.409 -11.582 -0.038 309 1HH1 ARG 22 HH21 ARG 22 1.526 -14.667 1.098 310 2HH1 ARG 22 HH22 ARG 22 2.744 -14.402 2.300 311 1HH2 ARG 22 HH11 ARG 22 2.635 -10.946 2.030 312 2HH2 ARG 22 HH12 ARG 22 3.372 -12.295 2.827 313 H GLY 23 H GLY 23 -3.554 -11.376 -2.983 314 1HA GLY 23 HA2 GLY 23 -5.428 -10.404 -4.010 315 2HA GLY 23 HA1 GLY 23 -6.359 -10.888 -2.595 316 H PHE 24 H PHE 24 -3.820 -8.462 -3.402 317 HA PHE 24 HA PHE 24 -4.437 -6.657 -1.314 318 1HB PHE 24 HB2 PHE 24 -3.229 -5.031 -2.541 319 2HB PHE 24 HB1 PHE 24 -2.543 -6.560 -3.080 320 HD1 PHE 24 HD1 PHE 24 -3.760 -3.486 -4.197 321 HD2 PHE 24 HD2 PHE 24 -3.894 -7.680 -5.125 322 HE1 PHE 24 HE1 PHE 24 -4.321 -2.946 -6.553 323 HE2 PHE 24 HE2 PHE 24 -4.452 -7.140 -7.480 324 HZ PHE 24 HZ PHE 24 -4.662 -4.776 -8.196 325 H PHE 25 H PHE 25 -5.685 -4.476 -1.655 326 HA PHE 25 HA PHE 25 -7.948 -4.902 -3.543 327 1HB PHE 25 HB2 PHE 25 -9.589 -4.796 -1.942 328 2HB PHE 25 HB1 PHE 25 -8.313 -5.545 -0.992 329 HD1 PHE 25 HD1 PHE 25 -10.804 -3.562 -0.359 330 HD2 PHE 25 HD2 PHE 25 -6.527 -3.185 -0.524 331 HE1 PHE 25 HE1 PHE 25 -10.913 -1.668 1.237 332 HE2 PHE 25 HE2 PHE 25 -6.634 -1.289 1.074 333 HZ PHE 25 HZ PHE 25 -8.826 -0.531 1.955 334 H TYR 26 H TYR 26 -5.943 -3.196 -4.195 335 HA TYR 26 HA TYR 26 -5.900 -0.539 -3.426 336 1HB TYR 26 HB2 TYR 26 -4.508 -1.163 -5.237 337 2HB TYR 26 HB1 TYR 26 -5.857 -1.810 -6.161 338 HD1 TYR 26 HD1 TYR 26 -5.952 1.429 -4.356 339 HD2 TYR 26 HD2 TYR 26 -5.506 -0.532 -8.153 340 HE1 TYR 26 HE1 TYR 26 -6.188 3.611 -5.515 341 HE2 TYR 26 HE2 TYR 26 -5.747 1.644 -9.312 342 HH TYR 26 HH TYR 26 -5.235 4.376 -8.204 343 H THR 27 H THR 27 -7.642 0.663 -2.841 344 HA THR 27 HA THR 27 -10.234 0.263 -4.176 345 HB THR 27 HB THR 27 -10.130 0.508 -1.726 346 HG1 THR 27 HG1 THR 27 -12.021 1.316 -2.072 347 1HG2 THR 27 HG21 THR 27 -9.737 3.312 -1.485 348 2HG2 THR 27 HG22 THR 27 -8.388 2.678 -2.427 349 3HG2 THR 27 HG23 THR 27 -8.733 2.020 -0.828 350 H LYS 28 H LYS 28 -9.719 1.164 -6.285 351 HA LYS 28 HA LYS 28 -10.631 3.723 -6.768 352 1HB LYS 28 HB2 LYS 28 -8.036 3.867 -5.567 353 2HB LYS 28 HB1 LYS 28 -7.917 4.432 -7.232 354 1HG LYS 28 HG2 LYS 28 -9.467 6.150 -6.906 355 2HG LYS 28 HG1 LYS 28 -10.188 5.366 -5.501 356 1HD LYS 28 HD2 LYS 28 -8.787 6.448 -4.114 357 2HD LYS 28 HD1 LYS 28 -7.385 5.873 -5.018 358 1HE LYS 28 HE2 LYS 28 -7.075 7.954 -5.812 359 2HE LYS 28 HE1 LYS 28 -8.640 7.853 -6.620 360 1HZ LYS 28 HZ1 LYS 28 -9.688 8.589 -4.552 361 2HZ LYS 28 HZ2 LYS 28 -8.584 9.738 -5.141 362 3HZ LYS 28 HZ3 LYS 28 -8.163 8.747 -3.828 363 HA PRO 29 HA PRO 29 -9.536 1.261 -10.476 364 1HB PRO 29 HB2 PRO 29 -12.119 1.147 -11.409 365 2HB PRO 29 HB1 PRO 29 -11.434 -0.040 -10.285 366 1HG PRO 29 HG2 PRO 29 -13.376 2.155 -9.740 367 2HG PRO 29 HG1 PRO 29 -13.142 0.624 -8.880 368 1HD PRO 29 HD2 PRO 29 -12.206 3.162 -8.040 369 2HD PRO 29 HD1 PRO 29 -11.716 1.593 -7.370 370 H THR 30 H THR 30 -8.520 2.957 -11.623 371 HA THR 30 HA THR 30 -9.632 5.485 -12.226 372 HB THR 30 HB THR 30 -7.819 4.087 -14.177 373 HG1 THR 30 HG1 THR 30 -7.327 4.775 -11.504 374 1HG2 THR 30 HG21 THR 30 -7.995 6.886 -13.034 375 2HG2 THR 30 HG22 THR 30 -8.454 6.384 -14.661 376 3HG2 THR 30 HG23 THR 30 -6.760 6.349 -14.172 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -7.478 8.951 -0.766 2 2H GLY 1 HT2 GLY 1 -7.206 9.104 -2.435 3 3H GLY 1 HT3 GLY 1 -5.951 9.425 -1.336 4 1HA GLY 1 HA1 GLY 1 -6.405 6.939 -0.715 5 2HA GLY 1 HA2 GLY 1 -7.022 6.845 -2.392 6 H ILE 2 H ILE 2 -5.271 5.188 -0.801 7 HA ILE 2 HA ILE 2 -2.760 5.859 -0.015 8 HB ILE 2 HB ILE 2 -3.690 3.621 0.072 9 1HG1 ILE 2 HG12 ILE 2 -1.446 2.734 -1.389 10 2HG1 ILE 2 HG11 ILE 2 -1.026 4.318 -0.717 11 1HG2 ILE 2 HG21 ILE 2 -3.613 2.186 -1.955 12 2HG2 ILE 2 HG22 ILE 2 -3.243 3.620 -2.915 13 3HG2 ILE 2 HG23 ILE 2 -4.790 3.494 -2.077 14 1HD1 ILE 2 HD11 ILE 2 -0.895 2.042 0.716 15 2HD1 ILE 2 HD12 ILE 2 -2.559 2.523 1.024 16 3HD1 ILE 2 HD13 ILE 2 -1.244 3.618 1.432 17 H VAL 3 H VAL 3 -3.889 6.045 -3.332 18 HA VAL 3 HA VAL 3 -1.583 5.714 -4.828 19 HB VAL 3 HB VAL 3 -3.606 7.959 -5.033 20 1HG1 VAL 3 HG11 VAL 3 -1.024 7.652 -6.299 21 2HG1 VAL 3 HG12 VAL 3 -2.197 8.955 -6.487 22 3HG1 VAL 3 HG13 VAL 3 -2.301 7.521 -7.509 23 1HG2 VAL 3 HG21 VAL 3 -4.607 6.624 -6.732 24 2HG2 VAL 3 HG22 VAL 3 -4.251 5.500 -5.421 25 3HG2 VAL 3 HG23 VAL 3 -3.200 5.564 -6.836 26 H GLU 4 H GLU 4 -2.460 8.992 -3.702 27 HA GLU 4 HA GLU 4 0.244 9.890 -3.907 28 1HB GLU 4 HB2 GLU 4 -0.650 11.886 -2.647 29 2HB GLU 4 HB1 GLU 4 -1.547 11.495 -4.106 30 1HG GLU 4 HG2 GLU 4 -2.584 10.040 -1.816 31 2HG GLU 4 HG1 GLU 4 -2.597 11.779 -1.523 32 H GLN 5 H GLN 5 -1.677 8.532 -1.273 33 HA GLN 5 HA GLN 5 -0.068 9.250 0.927 34 1HB GLN 5 HB2 GLN 5 -2.231 7.773 0.841 35 2HB GLN 5 HB1 GLN 5 -1.103 6.434 0.619 36 1HG GLN 5 HG2 GLN 5 -0.940 6.401 2.876 37 2HG GLN 5 HG1 GLN 5 0.037 7.858 2.699 38 1HE2 GLN 5 HE21 GLN 5 -0.808 8.690 4.772 39 2HE2 GLN 5 HE22 GLN 5 -2.384 9.312 4.873 40 H CYS 6 H CYS 6 0.401 6.884 -1.618 41 HA CYS 6 HA CYS 6 3.059 6.196 -0.463 42 1HB CYS 6 HB2 CYS 6 1.388 4.797 -2.570 43 2HB CYS 6 HB1 CYS 6 3.021 4.319 -2.119 44 H CYS 7 H CYS 7 1.464 7.807 -3.122 45 HA CYS 7 HA CYS 7 3.955 7.834 -4.701 46 1HB CYS 7 HB2 CYS 7 1.756 7.609 -5.852 47 2HB CYS 7 HB1 CYS 7 1.313 9.212 -5.289 48 H THR 8 H THR 8 1.848 10.694 -4.360 49 HA THR 8 HA THR 8 3.830 12.630 -4.298 50 HB THR 8 HB THR 8 1.768 13.123 -2.247 51 HG1 THR 8 HG1 THR 8 0.113 13.134 -3.885 52 1HG2 THR 8 HG21 THR 8 3.303 14.672 -3.807 53 2HG2 THR 8 HG22 THR 8 1.722 15.199 -3.229 54 3HG2 THR 8 HG23 THR 8 1.893 14.550 -4.859 55 H SER 9 H SER 9 2.699 10.572 -1.715 56 HA SER 9 HA SER 9 5.021 11.423 -0.035 57 1HB SER 9 HB2 SER 9 2.324 11.338 0.690 58 2HB SER 9 HB1 SER 9 2.958 9.811 1.295 59 HG SER 9 HG SER 9 4.442 12.154 1.694 60 H ILE 10 H ILE 10 5.302 9.152 1.516 61 HA ILE 10 HA ILE 10 5.325 6.930 -0.472 62 HB ILE 10 HB ILE 10 7.656 7.807 1.260 63 1HG1 ILE 10 HG12 ILE 10 8.782 7.884 -1.007 64 2HG1 ILE 10 HG11 ILE 10 7.192 7.659 -1.736 65 1HG2 ILE 10 HG21 ILE 10 8.755 5.827 0.688 66 2HG2 ILE 10 HG22 ILE 10 7.713 5.542 -0.697 67 3HG2 ILE 10 HG23 ILE 10 7.108 5.250 0.925 68 1HD1 ILE 10 HD11 ILE 10 7.124 9.770 0.252 69 2HD1 ILE 10 HD12 ILE 10 6.684 9.831 -1.456 70 3HD1 ILE 10 HD13 ILE 10 8.357 10.093 -0.969 71 H CYS 11 H CYS 11 5.034 4.858 0.429 72 HA CYS 11 HA CYS 11 4.429 4.904 3.373 73 1HB CYS 11 HB2 CYS 11 2.911 2.926 2.854 74 2HB CYS 11 HB1 CYS 11 2.363 4.483 2.241 75 H SER 12 H SER 12 4.719 2.741 4.444 76 HA SER 12 HA SER 12 7.296 1.585 3.567 77 1HB SER 12 HB2 SER 12 6.756 0.271 5.852 78 2HB SER 12 HB1 SER 12 7.462 1.885 5.844 79 HG SER 12 HG SER 12 5.462 1.439 7.156 80 H LEU 13 H LEU 13 7.453 -0.899 3.882 81 HA LEU 13 HA LEU 13 5.589 -2.159 2.096 82 1HB LEU 13 HB2 LEU 13 7.918 -3.006 3.740 83 2HB LEU 13 HB1 LEU 13 6.771 -4.274 3.303 84 HG LEU 13 HG LEU 13 8.691 -3.859 1.654 85 1HD1 LEU 13 HD11 LEU 13 7.299 -4.950 0.266 86 2HD1 LEU 13 HD12 LEU 13 6.456 -3.443 -0.091 87 3HD1 LEU 13 HD13 LEU 13 5.932 -4.447 1.260 88 1HD2 LEU 13 HD21 LEU 13 8.496 -1.346 1.826 89 2HD2 LEU 13 HD22 LEU 13 6.978 -1.461 0.936 90 3HD2 LEU 13 HD23 LEU 13 8.488 -1.955 0.171 91 H TYR 14 H TYR 14 5.977 -2.270 5.643 92 HA TYR 14 HA TYR 14 4.076 -4.219 6.279 93 1HB TYR 14 HB2 TYR 14 5.443 -3.133 7.992 94 2HB TYR 14 HB1 TYR 14 4.618 -1.600 7.712 95 HD1 TYR 14 HD1 TYR 14 3.756 -5.187 8.430 96 HD2 TYR 14 HD2 TYR 14 2.879 -1.043 9.153 97 HE1 TYR 14 HE1 TYR 14 1.988 -5.843 10.043 98 HE2 TYR 14 HE2 TYR 14 1.111 -1.698 10.765 99 HH TYR 14 HH TYR 14 -0.070 -4.876 11.011 100 H GLN 15 H GLN 15 3.537 -0.829 5.383 101 HA GLN 15 HA GLN 15 0.693 -0.911 5.910 102 1HB GLN 15 HB2 GLN 15 2.185 0.929 4.005 103 2HB GLN 15 HB1 GLN 15 0.631 1.242 4.777 104 1HG GLN 15 HG2 GLN 15 2.731 0.573 6.705 105 2HG GLN 15 HG1 GLN 15 3.105 2.018 5.764 106 1HE2 GLN 15 HE21 GLN 15 0.428 0.566 7.693 107 2HE2 GLN 15 HE22 GLN 15 -0.198 2.055 8.216 108 H LEU 16 H LEU 16 2.523 -0.950 2.791 109 HA LEU 16 HA LEU 16 0.383 -1.412 1.064 110 1HB LEU 16 HB2 LEU 16 3.242 -2.192 1.088 111 2HB LEU 16 HB1 LEU 16 2.205 -3.150 0.029 112 HG LEU 16 HG LEU 16 1.304 -0.646 -0.537 113 1HD1 LEU 16 HD11 LEU 16 4.254 -0.425 0.125 114 2HD1 LEU 16 HD12 LEU 16 2.934 0.486 0.859 115 3HD1 LEU 16 HD13 LEU 16 3.364 0.762 -0.828 116 1HD2 LEU 16 HD21 LEU 16 3.391 -2.432 -1.719 117 2HD2 LEU 16 HD22 LEU 16 3.183 -0.826 -2.415 118 3HD2 LEU 16 HD23 LEU 16 1.825 -1.951 -2.373 119 H GLU 17 H GLU 17 1.789 -3.492 3.459 120 HA GLU 17 HA GLU 17 0.402 -5.932 2.623 121 1HB GLU 17 HB2 GLU 17 1.679 -5.166 5.274 122 2HB GLU 17 HB1 GLU 17 1.086 -6.774 4.870 123 1HG GLU 17 HG2 GLU 17 3.449 -5.296 3.719 124 2HG GLU 17 HG1 GLU 17 3.401 -6.900 4.447 125 H ASN 18 H ASN 18 0.027 -3.407 5.053 126 HA ASN 18 HA ASN 18 -2.277 -4.394 6.343 127 1HB ASN 18 HB2 ASN 18 -2.068 -2.493 7.552 128 2HB ASN 18 HB1 ASN 18 -0.623 -2.213 6.603 129 1HD2 ASN 18 HD21 ASN 18 -1.595 -1.454 4.165 130 2HD2 ASN 18 HD22 ASN 18 -2.499 -0.043 4.335 131 H TYR 19 H TYR 19 -1.917 -3.042 3.167 132 HA TYR 19 HA TYR 19 -4.875 -2.804 2.980 133 1HB TYR 19 HB2 TYR 19 -2.704 -1.735 1.158 134 2HB TYR 19 HB1 TYR 19 -4.433 -1.616 0.821 135 HD1 TYR 19 HD1 TYR 19 -2.267 0.617 1.411 136 HD2 TYR 19 HD2 TYR 19 -5.313 -1.302 3.749 137 HE1 TYR 19 HE1 TYR 19 -2.386 2.593 2.894 138 HE2 TYR 19 HE2 TYR 19 -5.431 0.655 5.227 139 HH TYR 19 HH TYR 19 -4.258 2.572 5.859 140 H CYS 20 H CYS 20 -2.308 -4.874 2.202 141 HA CYS 20 HA CYS 20 -3.186 -6.003 -0.256 142 1HB CYS 20 HB2 CYS 20 -1.707 -7.074 2.141 143 2HB CYS 20 HB1 CYS 20 -2.089 -8.109 0.796 144 H ASN 21 H ASN 21 -4.209 -8.416 -0.164 145 HA ASN 21 HA ASN 21 -6.796 -8.094 1.130 146 1HB ASN 21 HB2 ASN 21 -6.009 -9.505 -1.039 147 2HB ASN 21 HB1 ASN 21 -5.995 -10.789 0.171 148 1HD2 ASN 21 HD21 ASN 21 -7.957 -11.884 0.068 149 2HD2 ASN 21 HD22 ASN 21 -9.477 -11.146 -0.096 150 1H PHE 1 HT1 PHE 1 11.632 -2.702 1.451 151 2H PHE 1 HT2 PHE 1 10.210 -2.773 0.523 152 3H PHE 1 HT3 PHE 1 10.671 -1.316 1.267 153 HA PHE 1 HA PHE 1 12.588 -2.517 -0.571 154 1HB PHE 1 HB2 PHE 1 10.026 -1.153 -1.455 155 2HB PHE 1 HB1 PHE 1 11.406 -1.476 -2.506 156 HD1 PHE 1 HD1 PHE 1 8.279 -2.651 -1.837 157 HD2 PHE 1 HD2 PHE 1 12.330 -4.080 -1.948 158 HE1 PHE 1 HE1 PHE 1 7.455 -4.960 -2.212 159 HE2 PHE 1 HE2 PHE 1 11.506 -6.390 -2.323 160 HZ PHE 1 HZ PHE 1 9.068 -6.830 -2.456 161 H VAL 2 H VAL 2 13.075 -0.391 -2.103 162 HA VAL 2 HA VAL 2 14.072 1.583 -0.191 163 HB VAL 2 HB VAL 2 15.204 0.685 -2.373 164 1HG1 VAL 2 HG11 VAL 2 14.455 1.385 -4.387 165 2HG1 VAL 2 HG12 VAL 2 14.177 3.028 -3.812 166 3HG1 VAL 2 HG13 VAL 2 12.958 1.783 -3.544 167 1HG2 VAL 2 HG21 VAL 2 15.913 3.314 -2.741 168 2HG2 VAL 2 HG22 VAL 2 16.576 2.264 -1.488 169 3HG2 VAL 2 HG23 VAL 2 15.237 3.349 -1.112 170 H ASN 3 H ASN 3 13.708 3.824 -2.213 171 HA ASN 3 HA ASN 3 11.608 5.228 -1.141 172 1HB ASN 3 HB2 ASN 3 11.598 6.586 -3.100 173 2HB ASN 3 HB1 ASN 3 13.244 5.970 -2.964 174 1HD2 ASN 3 HD21 ASN 3 14.057 4.925 -4.792 175 2HD2 ASN 3 HD22 ASN 3 13.111 4.344 -6.076 176 H GLN 4 H GLN 4 9.434 4.992 -1.073 177 HA GLN 4 HA GLN 4 8.206 2.987 -2.916 178 1HB GLN 4 HB2 GLN 4 8.213 2.895 -0.213 179 2HB GLN 4 HB1 GLN 4 6.755 3.855 -0.466 180 1HG GLN 4 HG2 GLN 4 6.028 1.582 -0.455 181 2HG GLN 4 HG1 GLN 4 6.044 2.062 -2.153 182 1HE2 GLN 4 HE21 GLN 4 6.467 -0.106 -2.947 183 2HE2 GLN 4 HE22 GLN 4 7.957 -0.880 -2.691 184 H HIS 5 H HIS 5 8.296 5.135 -4.307 185 HA HIS 5 HA HIS 5 5.980 6.894 -3.731 186 1HB HIS 5 HB2 HIS 5 7.953 7.104 -6.019 187 2HB HIS 5 HB1 HIS 5 6.850 8.354 -5.443 188 HD2 HIS 5 HD2 HIS 5 9.514 6.223 -3.386 189 HE1 HIS 5 HE1 HIS 5 10.073 10.342 -2.614 190 HE2 HIS 5 HE2 HIS 5 10.876 7.989 -2.043 191 H LEU 6 H LEU 6 4.331 5.326 -4.209 192 HA LEU 6 HA LEU 6 4.232 4.457 -7.065 193 1HB LEU 6 HB2 LEU 6 3.233 3.242 -4.520 194 2HB LEU 6 HB1 LEU 6 2.536 2.801 -6.070 195 HG LEU 6 HG LEU 6 4.447 1.689 -6.756 196 1HD1 LEU 6 HD11 LEU 6 6.015 3.545 -4.939 197 2HD1 LEU 6 HD12 LEU 6 5.945 3.613 -6.701 198 3HD1 LEU 6 HD13 LEU 6 6.731 2.253 -5.902 199 1HD2 LEU 6 HD21 LEU 6 4.964 1.679 -3.775 200 2HD2 LEU 6 HD22 LEU 6 5.308 0.391 -4.930 201 3HD2 LEU 6 HD23 LEU 6 3.639 0.787 -4.520 202 H CYS 7 H CYS 7 2.582 5.142 -8.308 203 HA CYS 7 HA CYS 7 0.104 6.051 -6.973 204 1HB CYS 7 HB2 CYS 7 0.373 7.779 -9.177 205 2HB CYS 7 HB1 CYS 7 0.480 8.217 -7.477 206 H GLY 8 H GLY 8 -1.758 6.019 -8.471 207 1HA GLY 8 HA2 GLY 8 -3.046 4.814 -10.024 208 2HA GLY 8 HA1 GLY 8 -1.767 5.261 -11.152 209 H SER 9 H SER 9 -1.573 3.343 -12.278 210 HA SER 9 HA SER 9 -1.760 0.724 -11.283 211 1HB SER 9 HB2 SER 9 0.319 1.113 -13.339 212 2HB SER 9 HB1 SER 9 -1.117 0.096 -13.371 213 HG SER 9 HG SER 9 -1.181 1.903 -14.836 214 H ASP 10 H ASP 10 1.162 2.779 -11.520 215 HA ASP 10 HA ASP 10 3.133 1.001 -10.718 216 1HB ASP 10 HB2 ASP 10 2.735 3.840 -9.719 217 2HB ASP 10 HB1 ASP 10 4.234 2.923 -9.570 218 H LEU 11 H LEU 11 0.577 2.406 -8.751 219 HA LEU 11 HA LEU 11 1.623 1.337 -6.255 220 1HB LEU 11 HB2 LEU 11 0.049 3.347 -6.523 221 2HB LEU 11 HB1 LEU 11 -1.229 2.168 -6.806 222 HG LEU 11 HG LEU 11 -0.940 1.210 -4.614 223 1HD1 LEU 11 HD11 LEU 11 1.438 3.066 -4.371 224 2HD1 LEU 11 HD12 LEU 11 1.509 1.306 -4.476 225 3HD1 LEU 11 HD13 LEU 11 0.794 2.079 -3.065 226 1HD2 LEU 11 HD21 LEU 11 -1.499 3.071 -3.215 227 2HD2 LEU 11 HD22 LEU 11 -2.134 3.436 -4.820 228 3HD2 LEU 11 HD23 LEU 11 -0.641 4.196 -4.267 229 H THR 12 H THR 12 -0.954 0.404 -8.536 230 HA THR 12 HA THR 12 -1.760 -1.952 -7.119 231 HB THR 12 HB THR 12 -1.734 -1.469 -10.115 232 HG1 THR 12 HG1 THR 12 -4.049 -1.044 -9.512 233 1HG2 THR 12 HG21 THR 12 -3.881 -3.103 -9.044 234 2HG2 THR 12 HG22 THR 12 -2.302 -3.794 -8.669 235 3HG2 THR 12 HG23 THR 12 -2.745 -3.464 -10.345 236 H GLU 13 H GLU 13 0.629 -1.406 -9.700 237 HA GLU 13 HA GLU 13 1.576 -3.992 -10.110 238 1HB GLU 13 HB2 GLU 13 2.516 -1.329 -10.563 239 2HB GLU 13 HB1 GLU 13 3.854 -2.273 -9.910 240 1HG GLU 13 HG2 GLU 13 3.268 -4.069 -11.615 241 2HG GLU 13 HG1 GLU 13 2.179 -2.894 -12.354 242 H ALA 14 H ALA 14 2.987 -1.692 -7.746 243 HA ALA 14 HA ALA 14 4.575 -3.635 -6.398 244 1HB ALA 14 HB1 ALA 14 3.870 -0.868 -6.038 245 2HB ALA 14 HB2 ALA 14 5.250 -1.743 -5.376 246 3HB ALA 14 HB3 ALA 14 3.724 -1.704 -4.492 247 H LEU 15 H LEU 15 1.406 -2.261 -5.432 248 HA LEU 15 HA LEU 15 0.845 -3.884 -3.225 249 1HB LEU 15 HB2 LEU 15 -0.825 -2.612 -5.352 250 2HB LEU 15 HB1 LEU 15 -1.599 -3.829 -4.343 251 HG LEU 15 HG LEU 15 -0.040 -1.506 -3.196 252 1HD1 LEU 15 HD11 LEU 15 -2.153 -0.975 -4.659 253 2HD1 LEU 15 HD12 LEU 15 -2.003 -0.234 -3.065 254 3HD1 LEU 15 HD13 LEU 15 -3.045 -1.638 -3.289 255 1HD2 LEU 15 HD21 LEU 15 -0.740 -2.273 -1.148 256 2HD2 LEU 15 HD22 LEU 15 -0.814 -3.813 -2.004 257 3HD2 LEU 15 HD23 LEU 15 -2.279 -2.857 -1.780 258 H TYR 16 H TYR 16 0.166 -4.595 -6.639 259 HA TYR 16 HA TYR 16 -0.918 -7.161 -6.366 260 1HB TYR 16 HB2 TYR 16 -0.213 -5.593 -8.466 261 2HB TYR 16 HB1 TYR 16 1.066 -6.799 -8.542 262 HD1 TYR 16 HD1 TYR 16 -1.978 -6.051 -9.877 263 HD2 TYR 16 HD2 TYR 16 0.001 -9.298 -7.881 264 HE1 TYR 16 HE1 TYR 16 -3.572 -7.647 -10.907 265 HE2 TYR 16 HE2 TYR 16 -1.591 -10.899 -8.909 266 HH TYR 16 HH TYR 16 -3.095 -11.078 -10.750 267 H LEU 17 H LEU 17 2.513 -6.201 -6.530 268 HA LEU 17 HA LEU 17 3.518 -8.884 -6.364 269 1HB LEU 17 HB2 LEU 17 4.682 -6.757 -7.211 270 2HB LEU 17 HB1 LEU 17 5.010 -6.415 -5.512 271 HG LEU 17 HG LEU 17 6.837 -7.667 -6.635 272 1HD1 LEU 17 HD11 LEU 17 7.305 -8.908 -4.744 273 2HD1 LEU 17 HD12 LEU 17 5.686 -9.606 -4.688 274 3HD1 LEU 17 HD13 LEU 17 5.954 -7.956 -4.126 275 1HD2 LEU 17 HD21 LEU 17 4.924 -9.029 -7.924 276 2HD2 LEU 17 HD22 LEU 17 5.207 -10.150 -6.593 277 3HD2 LEU 17 HD23 LEU 17 6.535 -9.700 -7.663 278 H VAL 18 H VAL 18 3.680 -6.249 -3.913 279 HA VAL 18 HA VAL 18 4.609 -7.657 -1.744 280 HB VAL 18 HB VAL 18 2.539 -6.312 -0.517 281 1HG1 VAL 18 HG11 VAL 18 4.182 -4.542 -0.154 282 2HG1 VAL 18 HG12 VAL 18 5.156 -5.154 -1.492 283 3HG1 VAL 18 HG13 VAL 18 4.948 -6.126 -0.034 284 1HG2 VAL 18 HG21 VAL 18 1.818 -4.519 -1.745 285 2HG2 VAL 18 HG22 VAL 18 2.142 -5.605 -3.092 286 3HG2 VAL 18 HG23 VAL 18 3.334 -4.390 -2.637 287 H CYS 19 H CYS 19 1.247 -7.604 -2.789 288 HA CYS 19 HA CYS 19 0.634 -9.777 -0.871 289 1HB CYS 19 HB2 CYS 19 -1.492 -9.009 -2.749 290 2HB CYS 19 HB1 CYS 19 -1.526 -9.101 -1.001 291 H GLY 20 H GLY 20 -0.247 -9.239 -4.279 292 1HA GLY 20 HA2 GLY 20 -0.269 -10.730 -6.099 293 2HA GLY 20 HA1 GLY 20 1.080 -11.553 -5.309 294 H GLU 21 H GLU 21 0.658 -13.395 -4.051 295 HA GLU 21 HA GLU 21 -1.773 -14.816 -4.600 296 1HB GLU 21 HB2 GLU 21 0.179 -15.280 -2.320 297 2HB GLU 21 HB1 GLU 21 -0.978 -16.448 -2.957 298 1HG GLU 21 HG2 GLU 21 0.190 -16.163 -5.214 299 2HG GLU 21 HG1 GLU 21 1.464 -15.318 -4.334 300 H ARG 22 H ARG 22 -0.673 -12.776 -1.956 301 HA ARG 22 HA ARG 22 -3.096 -13.212 -0.384 302 1HB ARG 22 HB2 ARG 22 -0.903 -11.127 -0.160 303 2HB ARG 22 HB1 ARG 22 -2.207 -11.344 1.009 304 1HG ARG 22 HG2 ARG 22 -0.115 -13.408 0.261 305 2HG ARG 22 HG1 ARG 22 -0.207 -12.522 1.784 306 1HD ARG 22 HD2 ARG 22 -1.546 -14.145 2.586 307 2HD ARG 22 HD1 ARG 22 -2.760 -13.666 1.400 308 HE ARG 22 HE ARG 22 -1.833 -15.376 -0.121 309 1HH1 ARG 22 HH21 ARG 22 0.832 -15.454 1.476 310 2HH1 ARG 22 HH22 ARG 22 0.718 -17.033 2.179 311 1HH2 ARG 22 HH11 ARG 22 -2.664 -17.379 1.502 312 2HH2 ARG 22 HH12 ARG 22 -1.261 -18.122 2.192 313 H GLY 23 H GLY 23 -2.460 -11.643 -3.225 314 1HA GLY 23 HA2 GLY 23 -3.489 -9.891 -4.399 315 2HA GLY 23 HA1 GLY 23 -4.942 -10.462 -3.587 316 H PHE 24 H PHE 24 -4.998 -7.882 -4.077 317 HA PHE 24 HA PHE 24 -4.530 -6.623 -1.410 318 1HB PHE 24 HB2 PHE 24 -3.913 -4.500 -2.615 319 2HB PHE 24 HB1 PHE 24 -2.736 -5.778 -2.821 320 HD1 PHE 24 HD1 PHE 24 -4.504 -3.310 -4.512 321 HD2 PHE 24 HD2 PHE 24 -3.309 -7.418 -4.908 322 HE1 PHE 24 HE1 PHE 24 -4.758 -3.143 -6.969 323 HE2 PHE 24 HE2 PHE 24 -3.561 -7.252 -7.366 324 HZ PHE 24 HZ PHE 24 -4.285 -5.117 -8.402 325 H PHE 25 H PHE 25 -5.832 -4.275 -1.670 326 HA PHE 25 HA PHE 25 -8.336 -4.868 -3.168 327 1HB PHE 25 HB2 PHE 25 -9.716 -4.794 -1.343 328 2HB PHE 25 HB1 PHE 25 -8.267 -5.375 -0.530 329 HD1 PHE 25 HD1 PHE 25 -10.830 -3.389 0.158 330 HD2 PHE 25 HD2 PHE 25 -6.583 -2.989 -0.363 331 HE1 PHE 25 HE1 PHE 25 -10.844 -1.367 1.597 332 HE2 PHE 25 HE2 PHE 25 -6.596 -0.966 1.076 333 HZ PHE 25 HZ PHE 25 -8.728 -0.155 2.055 334 H TYR 26 H TYR 26 -6.202 -3.031 -3.820 335 HA TYR 26 HA TYR 26 -6.499 -0.365 -3.118 336 1HB TYR 26 HB2 TYR 26 -4.855 -1.075 -4.776 337 2HB TYR 26 HB1 TYR 26 -6.130 -1.501 -5.904 338 HD1 TYR 26 HD1 TYR 26 -4.804 1.391 -3.944 339 HD2 TYR 26 HD2 TYR 26 -6.914 0.076 -7.447 340 HE1 TYR 26 HE1 TYR 26 -4.785 3.709 -4.823 341 HE2 TYR 26 HE2 TYR 26 -6.900 2.395 -8.328 342 HH TYR 26 HH TYR 26 -6.155 4.473 -8.025 343 H THR 27 H THR 27 -8.309 0.787 -2.868 344 HA THR 27 HA THR 27 -10.794 -0.011 -4.150 345 HB THR 27 HB THR 27 -11.042 0.836 -1.958 346 HG1 THR 27 HG1 THR 27 -12.613 2.112 -2.477 347 1HG2 THR 27 HG21 THR 27 -9.323 2.081 -1.192 348 2HG2 THR 27 HG22 THR 27 -10.154 3.464 -1.904 349 3HG2 THR 27 HG23 THR 27 -8.897 2.627 -2.814 350 H LYS 28 H LYS 28 -10.422 0.291 -6.376 351 HA LYS 28 HA LYS 28 -9.410 2.331 -7.872 352 1HB LYS 28 HB2 LYS 28 -11.488 0.400 -8.243 353 2HB LYS 28 HB1 LYS 28 -12.010 1.932 -8.947 354 1HG LYS 28 HG2 LYS 28 -9.718 2.049 -10.063 355 2HG LYS 28 HG1 LYS 28 -9.496 0.369 -9.569 356 1HD LYS 28 HD2 LYS 28 -10.639 -0.270 -11.397 357 2HD LYS 28 HD1 LYS 28 -12.072 0.513 -10.727 358 1HE LYS 28 HE2 LYS 28 -11.394 2.648 -11.754 359 2HE LYS 28 HE1 LYS 28 -9.953 1.876 -12.419 360 1HZ LYS 28 HZ1 LYS 28 -12.410 0.496 -13.017 361 2HZ LYS 28 HZ2 LYS 28 -11.123 0.922 -14.042 362 3HZ LYS 28 HZ3 LYS 28 -12.332 2.057 -13.674 363 HA PRO 29 HA PRO 29 -11.759 5.699 -5.936 364 1HB PRO 29 HB2 PRO 29 -9.760 7.552 -6.294 365 2HB PRO 29 HB1 PRO 29 -9.841 6.452 -4.908 366 1HG PRO 29 HG2 PRO 29 -8.042 6.349 -7.282 367 2HG PRO 29 HG1 PRO 29 -7.783 5.715 -5.649 368 1HD PRO 29 HD2 PRO 29 -8.525 4.194 -7.920 369 2HD PRO 29 HD1 PRO 29 -8.580 3.646 -6.231 370 H THR 30 H THR 30 -11.978 8.099 -6.884 371 HA THR 30 HA THR 30 -11.775 8.161 -9.832 372 HB THR 30 HB THR 30 -14.430 8.521 -8.411 373 HG1 THR 30 HG1 THR 30 -13.184 6.370 -9.648 374 1HG2 THR 30 HG21 THR 30 -15.053 8.265 -11.002 375 2HG2 THR 30 HG22 THR 30 -13.436 8.946 -11.190 376 3HG2 THR 30 HG23 THR 30 -14.667 9.831 -10.288 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -6.952 8.015 0.907 2 2H GLY 1 HT2 GLY 1 -6.846 6.455 0.242 3 3H GLY 1 HT3 GLY 1 -7.943 7.582 -0.401 4 1HA GLY 1 HA1 GLY 1 -6.013 7.509 -1.813 5 2HA GLY 1 HA2 GLY 1 -6.033 9.109 -1.011 6 H ILE 2 H ILE 2 -5.348 5.530 -0.505 7 HA ILE 2 HA ILE 2 -2.700 5.581 0.275 8 HB ILE 2 HB ILE 2 -4.432 3.586 -0.987 9 1HG1 ILE 2 HG12 ILE 2 -2.079 3.099 0.812 10 2HG1 ILE 2 HG11 ILE 2 -3.546 3.867 1.428 11 1HG2 ILE 2 HG21 ILE 2 -2.747 3.429 -2.720 12 2HG2 ILE 2 HG22 ILE 2 -2.529 2.066 -1.624 13 3HG2 ILE 2 HG23 ILE 2 -1.451 3.458 -1.525 14 1HD1 ILE 2 HD11 ILE 2 -4.447 1.704 -0.111 15 2HD1 ILE 2 HD12 ILE 2 -4.434 1.815 1.647 16 3HD1 ILE 2 HD13 ILE 2 -3.075 1.078 0.800 17 H VAL 3 H VAL 3 -3.844 5.658 -3.118 18 HA VAL 3 HA VAL 3 -1.444 5.541 -4.486 19 HB VAL 3 HB VAL 3 -3.664 7.537 -4.993 20 1HG1 VAL 3 HG11 VAL 3 -1.361 6.583 -6.724 21 2HG1 VAL 3 HG12 VAL 3 -1.587 8.213 -6.093 22 3HG1 VAL 3 HG13 VAL 3 -2.702 7.572 -7.301 23 1HG2 VAL 3 HG21 VAL 3 -3.113 4.714 -5.931 24 2HG2 VAL 3 HG22 VAL 3 -4.183 5.798 -6.816 25 3HG2 VAL 3 HG23 VAL 3 -4.570 5.335 -5.159 26 H GLU 4 H GLU 4 -2.780 8.773 -3.807 27 HA GLU 4 HA GLU 4 -0.257 10.024 -3.979 28 1HB GLU 4 HB2 GLU 4 -1.379 11.947 -2.932 29 2HB GLU 4 HB1 GLU 4 -2.410 11.230 -4.161 30 1HG GLU 4 HG2 GLU 4 -3.592 9.952 -2.389 31 2HG GLU 4 HG1 GLU 4 -2.596 10.753 -1.174 32 H GLN 5 H GLN 5 -1.996 8.603 -1.251 33 HA GLN 5 HA GLN 5 -0.427 9.576 0.880 34 1HB GLN 5 HB2 GLN 5 -2.493 7.890 0.788 35 2HB GLN 5 HB1 GLN 5 -1.204 6.688 0.887 36 1HG GLN 5 HG2 GLN 5 -1.816 7.173 3.146 37 2HG GLN 5 HG1 GLN 5 -0.295 8.023 2.865 38 1HE2 GLN 5 HE21 GLN 5 -3.215 8.500 4.308 39 2HE2 GLN 5 HE22 GLN 5 -3.385 10.174 4.085 40 H CYS 6 H CYS 6 0.201 6.928 -1.393 41 HA CYS 6 HA CYS 6 2.870 6.526 -0.136 42 1HB CYS 6 HB2 CYS 6 1.247 4.909 -2.102 43 2HB CYS 6 HB1 CYS 6 2.965 4.618 -1.856 44 H CYS 7 H CYS 7 1.296 7.784 -2.992 45 HA CYS 7 HA CYS 7 3.818 7.881 -4.473 46 1HB CYS 7 HB2 CYS 7 1.779 7.506 -5.753 47 2HB CYS 7 HB1 CYS 7 1.075 8.995 -5.141 48 H THR 8 H THR 8 1.488 10.570 -3.989 49 HA THR 8 HA THR 8 3.285 12.689 -4.135 50 HB THR 8 HB THR 8 1.141 12.595 -1.998 51 HG1 THR 8 HG1 THR 8 0.934 12.471 -4.754 52 1HG2 THR 8 HG21 THR 8 2.075 14.820 -3.829 53 2HG2 THR 8 HG22 THR 8 2.649 14.585 -2.178 54 3HG2 THR 8 HG23 THR 8 0.953 14.966 -2.476 55 H SER 9 H SER 9 2.594 10.533 -1.471 56 HA SER 9 HA SER 9 4.959 11.603 0.009 57 1HB SER 9 HB2 SER 9 2.367 11.169 0.944 58 2HB SER 9 HB1 SER 9 3.225 9.716 1.447 59 HG SER 9 HG SER 9 4.717 11.000 2.504 60 H ILE 10 H ILE 10 4.951 9.012 1.565 61 HA ILE 10 HA ILE 10 5.422 6.990 -0.517 62 HB ILE 10 HB ILE 10 7.676 8.158 1.140 63 1HG1 ILE 10 HG12 ILE 10 8.729 7.941 -1.243 64 2HG1 ILE 10 HG11 ILE 10 7.055 7.846 -1.787 65 1HG2 ILE 10 HG21 ILE 10 8.055 5.867 1.388 66 2HG2 ILE 10 HG22 ILE 10 8.924 6.225 -0.103 67 3HG2 ILE 10 HG23 ILE 10 7.328 5.483 -0.170 68 1HD1 ILE 10 HD11 ILE 10 8.572 10.169 -0.967 69 2HD1 ILE 10 HD12 ILE 10 7.132 9.989 0.034 70 3HD1 ILE 10 HD13 ILE 10 6.979 10.096 -1.719 71 H CYS 11 H CYS 11 5.716 4.829 0.433 72 HA CYS 11 HA CYS 11 5.180 4.782 3.380 73 1HB CYS 11 HB2 CYS 11 3.611 2.800 2.898 74 2HB CYS 11 HB1 CYS 11 3.008 4.417 2.544 75 H SER 12 H SER 12 5.063 2.110 3.858 76 HA SER 12 HA SER 12 7.661 1.096 2.767 77 1HB SER 12 HB2 SER 12 7.702 -0.089 5.117 78 2HB SER 12 HB1 SER 12 8.217 1.589 4.972 79 HG SER 12 HG SER 12 6.231 2.244 5.717 80 H LEU 13 H LEU 13 7.858 -1.343 3.111 81 HA LEU 13 HA LEU 13 5.833 -2.724 1.711 82 1HB LEU 13 HB2 LEU 13 8.238 -3.451 3.264 83 2HB LEU 13 HB1 LEU 13 7.016 -4.719 3.170 84 HG LEU 13 HG LEU 13 8.586 -4.906 1.292 85 1HD1 LEU 13 HD11 LEU 13 5.926 -5.118 1.126 86 2HD1 LEU 13 HD12 LEU 13 6.957 -5.322 -0.290 87 3HD1 LEU 13 HD13 LEU 13 6.141 -3.784 -0.006 88 1HD2 LEU 13 HD21 LEU 13 8.121 -2.850 -0.415 89 2HD2 LEU 13 HD22 LEU 13 9.473 -2.877 0.716 90 3HD2 LEU 13 HD23 LEU 13 7.996 -2.004 1.126 91 H TYR 14 H TYR 14 6.105 -2.027 5.135 92 HA TYR 14 HA TYR 14 4.299 -4.046 6.073 93 1HB TYR 14 HB2 TYR 14 5.839 -2.745 7.540 94 2HB TYR 14 HB1 TYR 14 4.844 -1.314 7.270 95 HD1 TYR 14 HD1 TYR 14 4.139 -4.938 8.036 96 HD2 TYR 14 HD2 TYR 14 3.480 -0.821 9.084 97 HE1 TYR 14 HE1 TYR 14 2.617 -5.643 9.866 98 HE2 TYR 14 HE2 TYR 14 1.959 -1.528 10.910 99 HH TYR 14 HH TYR 14 1.492 -4.958 11.689 100 H GLN 15 H GLN 15 3.723 -0.576 5.343 101 HA GLN 15 HA GLN 15 0.904 -0.708 5.829 102 1HB GLN 15 HB2 GLN 15 2.241 1.167 3.862 103 2HB GLN 15 HB1 GLN 15 0.795 1.459 4.826 104 1HG GLN 15 HG2 GLN 15 2.383 1.059 6.866 105 2HG GLN 15 HG1 GLN 15 3.669 1.398 5.708 106 1HE2 GLN 15 HE21 GLN 15 3.849 3.575 4.871 107 2HE2 GLN 15 HE22 GLN 15 2.952 4.865 5.514 108 H LEU 16 H LEU 16 2.557 -0.527 2.625 109 HA LEU 16 HA LEU 16 0.356 -1.022 0.999 110 1HB LEU 16 HB2 LEU 16 3.206 -1.315 0.751 111 2HB LEU 16 HB1 LEU 16 2.387 -2.658 -0.056 112 HG LEU 16 HG LEU 16 0.869 -0.980 -1.153 113 1HD1 LEU 16 HD11 LEU 16 2.620 0.826 0.451 114 2HD1 LEU 16 HD12 LEU 16 0.911 0.986 0.048 115 3HD1 LEU 16 HD13 LEU 16 2.141 1.374 -1.156 116 1HD2 LEU 16 HD21 LEU 16 3.587 -1.625 -1.703 117 2HD2 LEU 16 HD22 LEU 16 3.320 0.055 -2.173 118 3HD2 LEU 16 HD23 LEU 16 2.309 -1.223 -2.849 119 H GLU 17 H GLU 17 2.142 -3.300 3.005 120 HA GLU 17 HA GLU 17 0.718 -5.650 2.029 121 1HB GLU 17 HB2 GLU 17 2.748 -6.281 2.952 122 2HB GLU 17 HB1 GLU 17 2.704 -5.010 4.168 123 1HG GLU 17 HG2 GLU 17 2.436 -7.121 5.303 124 2HG GLU 17 HG1 GLU 17 0.879 -6.297 5.340 125 H ASN 18 H ASN 18 0.413 -3.317 4.614 126 HA ASN 18 HA ASN 18 -1.610 -4.656 6.113 127 1HB ASN 18 HB2 ASN 18 -1.224 -2.934 7.513 128 2HB ASN 18 HB1 ASN 18 -0.095 -2.307 6.324 129 1HD2 ASN 18 HD21 ASN 18 -1.708 -1.467 4.300 130 2HD2 ASN 18 HD22 ASN 18 -2.805 -0.304 4.833 131 H TYR 19 H TYR 19 -1.724 -3.148 3.056 132 HA TYR 19 HA TYR 19 -4.637 -2.647 3.289 133 1HB TYR 19 HB2 TYR 19 -2.643 -1.975 1.112 134 2HB TYR 19 HB1 TYR 19 -4.369 -1.611 1.018 135 HD1 TYR 19 HD1 TYR 19 -1.206 -0.417 2.080 136 HD2 TYR 19 HD2 TYR 19 -5.380 -0.349 3.087 137 HE1 TYR 19 HE1 TYR 19 -0.835 1.612 3.442 138 HE2 TYR 19 HE2 TYR 19 -5.021 1.683 4.454 139 HH TYR 19 HH TYR 19 -1.815 3.252 4.617 140 H CYS 20 H CYS 20 -2.427 -4.950 2.110 141 HA CYS 20 HA CYS 20 -3.741 -6.055 -0.104 142 1HB CYS 20 HB2 CYS 20 -2.242 -7.395 2.144 143 2HB CYS 20 HB1 CYS 20 -2.618 -8.144 0.625 144 H ASN 21 H ASN 21 -4.726 -8.524 0.325 145 HA ASN 21 HA ASN 21 -7.297 -8.042 1.540 146 1HB ASN 21 HB2 ASN 21 -6.880 -9.702 -0.303 147 2HB ASN 21 HB1 ASN 21 -6.056 -10.726 0.874 148 1HD2 ASN 21 HD21 ASN 21 -9.170 -9.771 -0.330 149 2HD2 ASN 21 HD22 ASN 21 -10.103 -10.658 0.777 150 1H PHE 1 HT1 PHE 1 5.674 -0.151 -2.106 151 2H PHE 1 HT2 PHE 1 6.833 0.798 -2.907 152 3H PHE 1 HT3 PHE 1 6.359 1.189 -1.324 153 HA PHE 1 HA PHE 1 7.212 -1.409 -1.154 154 1HB PHE 1 HB2 PHE 1 8.387 -0.157 -3.435 155 2HB PHE 1 HB1 PHE 1 9.635 -0.287 -2.197 156 HD1 PHE 1 HD1 PHE 1 7.312 -2.152 -4.366 157 HD2 PHE 1 HD2 PHE 1 10.352 -2.466 -1.344 158 HE1 PHE 1 HE1 PHE 1 7.521 -4.582 -4.826 159 HE2 PHE 1 HE2 PHE 1 10.562 -4.895 -1.805 160 HZ PHE 1 HZ PHE 1 9.145 -5.953 -3.547 161 H VAL 2 H VAL 2 9.968 -0.770 -0.441 162 HA VAL 2 HA VAL 2 9.428 0.622 2.075 163 HB VAL 2 HB VAL 2 11.937 0.250 2.407 164 1HG1 VAL 2 HG11 VAL 2 10.988 -1.512 3.460 165 2HG1 VAL 2 HG12 VAL 2 11.374 -2.442 2.013 166 3HG1 VAL 2 HG13 VAL 2 9.778 -1.715 2.196 167 1HG2 VAL 2 HG21 VAL 2 12.131 -1.765 0.343 168 2HG2 VAL 2 HG22 VAL 2 13.200 -0.398 0.655 169 3HG2 VAL 2 HG23 VAL 2 11.788 -0.195 -0.384 170 H ASN 3 H ASN 3 9.241 2.831 1.965 171 HA ASN 3 HA ASN 3 9.770 5.065 1.432 172 1HB ASN 3 HB2 ASN 3 12.292 3.638 1.761 173 2HB ASN 3 HB1 ASN 3 12.444 4.951 0.594 174 1HD2 ASN 3 HD21 ASN 3 12.063 7.154 1.359 175 2HD2 ASN 3 HD22 ASN 3 12.014 7.515 3.016 176 H GLN 4 H GLN 4 8.399 4.025 -0.524 177 HA GLN 4 HA GLN 4 9.880 4.831 -2.980 178 1HB GLN 4 HB2 GLN 4 9.456 2.256 -2.569 179 2HB GLN 4 HB1 GLN 4 7.828 2.652 -3.118 180 1HG GLN 4 HG2 GLN 4 9.016 2.045 -5.089 181 2HG GLN 4 HG1 GLN 4 8.946 3.807 -5.116 182 1HE2 GLN 4 HE21 GLN 4 10.936 4.266 -6.167 183 2HE2 GLN 4 HE22 GLN 4 12.448 3.801 -5.552 184 H HIS 5 H HIS 5 8.576 5.705 -4.634 185 HA HIS 5 HA HIS 5 6.039 6.938 -3.686 186 1HB HIS 5 HB2 HIS 5 7.153 7.631 -6.360 187 2HB HIS 5 HB1 HIS 5 6.524 8.700 -5.114 188 HD2 HIS 5 HD2 HIS 5 9.811 8.158 -6.667 189 HE1 HIS 5 HE1 HIS 5 10.744 8.889 -2.608 190 HE2 HIS 5 HE2 HIS 5 11.696 8.741 -4.971 191 H LEU 6 H LEU 6 4.282 5.634 -4.193 192 HA LEU 6 HA LEU 6 4.360 4.225 -6.833 193 1HB LEU 6 HB2 LEU 6 3.154 3.498 -4.194 194 2HB LEU 6 HB1 LEU 6 2.544 2.814 -5.690 195 HG LEU 6 HG LEU 6 4.535 1.657 -6.125 196 1HD1 LEU 6 HD11 LEU 6 5.826 3.712 -4.320 197 2HD1 LEU 6 HD12 LEU 6 6.152 3.406 -6.026 198 3HD1 LEU 6 HD13 LEU 6 6.663 2.239 -4.809 199 1HD2 LEU 6 HD21 LEU 6 4.735 1.790 -3.121 200 2HD2 LEU 6 HD22 LEU 6 4.975 0.398 -4.178 201 3HD2 LEU 6 HD23 LEU 6 3.350 1.028 -3.905 202 H CYS 7 H CYS 7 3.029 5.124 -8.315 203 HA CYS 7 HA CYS 7 0.360 5.986 -7.345 204 1HB CYS 7 HB2 CYS 7 1.099 7.624 -9.599 205 2HB CYS 7 HB1 CYS 7 0.621 8.131 -7.983 206 H GLY 8 H GLY 8 -1.259 6.035 -9.146 207 1HA GLY 8 HA2 GLY 8 -2.354 4.833 -10.843 208 2HA GLY 8 HA1 GLY 8 -0.892 5.169 -11.766 209 H SER 9 H SER 9 -0.791 3.170 -12.805 210 HA SER 9 HA SER 9 -1.192 0.624 -11.683 211 1HB SER 9 HB2 SER 9 0.335 -0.196 -13.496 212 2HB SER 9 HB1 SER 9 -0.913 0.902 -14.077 213 HG SER 9 HG SER 9 1.840 1.273 -13.808 214 H ASP 10 H ASP 10 1.783 2.596 -11.726 215 HA ASP 10 HA ASP 10 3.640 0.783 -10.724 216 1HB ASP 10 HB2 ASP 10 3.213 3.688 -9.966 217 2HB ASP 10 HB1 ASP 10 4.622 2.755 -9.460 218 H LEU 11 H LEU 11 1.054 2.442 -8.968 219 HA LEU 11 HA LEU 11 1.814 1.383 -6.382 220 1HB LEU 11 HB2 LEU 11 0.372 3.426 -6.741 221 2HB LEU 11 HB1 LEU 11 -0.919 2.346 -7.265 222 HG LEU 11 HG LEU 11 -0.881 1.212 -5.082 223 1HD1 LEU 11 HD11 LEU 11 1.228 3.276 -4.400 224 2HD1 LEU 11 HD12 LEU 11 1.509 1.541 -4.559 225 3HD1 LEU 11 HD13 LEU 11 0.490 2.156 -3.257 226 1HD2 LEU 11 HD21 LEU 11 -1.465 4.020 -5.507 227 2HD2 LEU 11 HD22 LEU 11 -1.087 3.688 -3.817 228 3HD2 LEU 11 HD23 LEU 11 -2.394 2.813 -4.618 229 H THR 12 H THR 12 -0.618 0.451 -8.828 230 HA THR 12 HA THR 12 -1.629 -1.798 -7.389 231 HB THR 12 HB THR 12 -1.320 -1.456 -10.391 232 HG1 THR 12 HG1 THR 12 -3.717 -1.154 -8.993 233 1HG2 THR 12 HG21 THR 12 -2.820 -3.418 -8.663 234 2HG2 THR 12 HG22 THR 12 -1.735 -3.749 -10.014 235 3HG2 THR 12 HG23 THR 12 -3.336 -3.070 -10.313 236 H GLU 13 H GLU 13 1.122 -1.399 -9.590 237 HA GLU 13 HA GLU 13 1.966 -4.050 -9.879 238 1HB GLU 13 HB2 GLU 13 3.053 -1.532 -10.379 239 2HB GLU 13 HB1 GLU 13 4.197 -2.269 -9.259 240 1HG GLU 13 HG2 GLU 13 4.007 -4.365 -10.783 241 2HG GLU 13 HG1 GLU 13 3.325 -3.252 -11.970 242 H ALA 14 H ALA 14 3.506 -1.903 -7.472 243 HA ALA 14 HA ALA 14 4.622 -3.883 -5.860 244 1HB ALA 14 HB1 ALA 14 4.672 -2.269 -4.073 245 2HB ALA 14 HB2 ALA 14 3.313 -1.381 -4.762 246 3HB ALA 14 HB3 ALA 14 4.877 -1.374 -5.578 247 H LEU 15 H LEU 15 1.425 -2.358 -5.379 248 HA LEU 15 HA LEU 15 0.467 -3.925 -3.267 249 1HB LEU 15 HB2 LEU 15 -0.765 -2.499 -5.570 250 2HB LEU 15 HB1 LEU 15 -1.781 -3.680 -4.749 251 HG LEU 15 HG LEU 15 -0.312 -1.384 -3.418 252 1HD1 LEU 15 HD11 LEU 15 -2.965 -1.668 -4.631 253 2HD1 LEU 15 HD12 LEU 15 -2.109 -0.209 -4.134 254 3HD1 LEU 15 HD13 LEU 15 -3.033 -1.134 -2.952 255 1HD2 LEU 15 HD21 LEU 15 -1.914 -3.714 -2.405 256 2HD2 LEU 15 HD22 LEU 15 -1.971 -2.183 -1.530 257 3HD2 LEU 15 HD23 LEU 15 -0.433 -3.015 -1.753 258 H TYR 16 H TYR 16 0.159 -4.600 -6.741 259 HA TYR 16 HA TYR 16 -1.106 -7.101 -6.602 260 1HB TYR 16 HB2 TYR 16 -0.205 -5.556 -8.607 261 2HB TYR 16 HB1 TYR 16 1.076 -6.760 -8.596 262 HD1 TYR 16 HD1 TYR 16 -2.322 -6.031 -9.516 263 HD2 TYR 16 HD2 TYR 16 0.433 -9.232 -8.737 264 HE1 TYR 16 HE1 TYR 16 -3.822 -7.605 -10.708 265 HE2 TYR 16 HE2 TYR 16 -1.068 -10.812 -9.928 266 HH TYR 16 HH TYR 16 -2.900 -10.538 -11.815 267 H LEU 17 H LEU 17 2.295 -6.274 -6.116 268 HA LEU 17 HA LEU 17 3.066 -9.110 -6.006 269 1HB LEU 17 HB2 LEU 17 4.444 -6.869 -6.700 270 2HB LEU 17 HB1 LEU 17 4.965 -7.074 -5.024 271 HG LEU 17 HG LEU 17 5.111 -9.143 -7.239 272 1HD1 LEU 17 HD11 LEU 17 7.279 -7.820 -5.584 273 2HD1 LEU 17 HD12 LEU 17 6.876 -7.389 -7.247 274 3HD1 LEU 17 HD13 LEU 17 7.522 -8.988 -6.881 275 1HD2 LEU 17 HD21 LEU 17 4.500 -10.224 -5.134 276 2HD2 LEU 17 HD22 LEU 17 5.776 -9.351 -4.285 277 3HD2 LEU 17 HD23 LEU 17 6.192 -10.566 -5.494 278 H VAL 18 H VAL 18 3.241 -6.368 -3.681 279 HA VAL 18 HA VAL 18 4.035 -7.725 -1.409 280 HB VAL 18 HB VAL 18 1.992 -6.257 -0.317 281 1HG1 VAL 18 HG11 VAL 18 3.646 -4.646 0.178 282 2HG1 VAL 18 HG12 VAL 18 4.530 -4.978 -1.312 283 3HG1 VAL 18 HG13 VAL 18 4.527 -6.162 -0.005 284 1HG2 VAL 18 HG21 VAL 18 2.838 -4.473 -2.541 285 2HG2 VAL 18 HG22 VAL 18 1.316 -4.521 -1.650 286 3HG2 VAL 18 HG23 VAL 18 1.627 -5.694 -2.929 287 H CYS 19 H CYS 19 0.825 -7.672 -2.804 288 HA CYS 19 HA CYS 19 -0.025 -9.790 -0.880 289 1HB CYS 19 HB2 CYS 19 -2.043 -8.733 -2.740 290 2HB CYS 19 HB1 CYS 19 -2.116 -8.910 -0.998 291 H GLY 20 H GLY 20 -0.799 -8.984 -4.261 292 1HA GLY 20 HA2 GLY 20 -0.896 -10.350 -6.177 293 2HA GLY 20 HA1 GLY 20 0.324 -11.364 -5.397 294 H GLU 21 H GLU 21 -0.347 -13.393 -4.871 295 HA GLU 21 HA GLU 21 -2.987 -14.320 -5.297 296 1HB GLU 21 HB2 GLU 21 -0.935 -15.411 -3.338 297 2HB GLU 21 HB1 GLU 21 -2.343 -16.285 -3.944 298 1HG GLU 21 HG2 GLU 21 -0.485 -15.102 -5.959 299 2HG GLU 21 HG1 GLU 21 0.061 -16.537 -5.090 300 H ARG 22 H ARG 22 -1.592 -12.526 -2.712 301 HA ARG 22 HA ARG 22 -3.657 -13.147 -0.756 302 1HB ARG 22 HB2 ARG 22 -1.759 -10.787 -0.809 303 2HB ARG 22 HB1 ARG 22 -2.623 -11.423 0.592 304 1HG ARG 22 HG2 ARG 22 -0.617 -13.028 -1.016 305 2HG ARG 22 HG1 ARG 22 -0.214 -12.153 0.462 306 1HD ARG 22 HD2 ARG 22 -0.957 -13.885 1.685 307 2HD ARG 22 HD1 ARG 22 -2.562 -13.688 0.981 308 HE ARG 22 HE ARG 22 -1.642 -15.163 -0.928 309 1HH1 ARG 22 HH21 ARG 22 0.838 -15.105 1.178 310 2HH1 ARG 22 HH22 ARG 22 0.816 -16.785 1.600 311 1HH2 ARG 22 HH11 ARG 22 -2.247 -17.401 0.103 312 2HH2 ARG 22 HH12 ARG 22 -0.926 -18.083 0.992 313 H GLY 23 H GLY 23 -3.557 -11.332 -3.579 314 1HA GLY 23 HA2 GLY 23 -5.017 -9.754 -4.502 315 2HA GLY 23 HA1 GLY 23 -6.202 -10.365 -3.351 316 H PHE 24 H PHE 24 -5.056 -7.572 -4.332 317 HA PHE 24 HA PHE 24 -4.779 -6.372 -1.599 318 1HB PHE 24 HB2 PHE 24 -3.970 -4.346 -2.890 319 2HB PHE 24 HB1 PHE 24 -2.931 -5.752 -3.038 320 HD1 PHE 24 HD1 PHE 24 -5.069 -3.414 -4.795 321 HD2 PHE 24 HD2 PHE 24 -3.045 -7.191 -5.110 322 HE1 PHE 24 HE1 PHE 24 -5.311 -3.336 -7.259 323 HE2 PHE 24 HE2 PHE 24 -3.283 -7.110 -7.577 324 HZ PHE 24 HZ PHE 24 -4.417 -5.185 -8.653 325 H PHE 25 H PHE 25 -6.303 -4.679 -1.032 326 HA PHE 25 HA PHE 25 -8.654 -4.622 -2.850 327 1HB PHE 25 HB2 PHE 25 -10.017 -4.342 -1.022 328 2HB PHE 25 HB1 PHE 25 -8.685 -5.198 -0.257 329 HD1 PHE 25 HD1 PHE 25 -10.859 -3.024 0.730 330 HD2 PHE 25 HD2 PHE 25 -6.652 -2.971 -0.147 331 HE1 PHE 25 HE1 PHE 25 -10.564 -1.123 2.293 332 HE2 PHE 25 HE2 PHE 25 -6.356 -1.068 1.420 333 HZ PHE 25 HZ PHE 25 -8.306 -0.144 2.639 334 H TYR 26 H TYR 26 -6.610 -3.161 -3.813 335 HA TYR 26 HA TYR 26 -6.423 -0.433 -3.058 336 1HB TYR 26 HB2 TYR 26 -4.820 -1.204 -4.602 337 2HB TYR 26 HB1 TYR 26 -6.037 -1.920 -5.648 338 HD1 TYR 26 HD1 TYR 26 -5.147 1.445 -4.228 339 HD2 TYR 26 HD2 TYR 26 -6.552 -0.802 -7.612 340 HE1 TYR 26 HE1 TYR 26 -5.173 3.514 -5.596 341 HE2 TYR 26 HE2 TYR 26 -6.583 1.268 -8.978 342 HH TYR 26 HH TYR 26 -5.342 4.331 -7.689 343 H THR 27 H THR 27 -8.131 0.896 -2.828 344 HA THR 27 HA THR 27 -10.438 0.601 -4.692 345 HB THR 27 HB THR 27 -11.040 0.455 -2.344 346 HG1 THR 27 HG1 THR 27 -12.252 1.850 -3.904 347 1HG2 THR 27 HG21 THR 27 -9.105 2.665 -2.164 348 2HG2 THR 27 HG22 THR 27 -9.568 1.474 -0.950 349 3HG2 THR 27 HG23 THR 27 -10.562 2.909 -1.201 350 H LYS 28 H LYS 28 -9.454 1.803 -6.440 351 HA LYS 28 HA LYS 28 -10.010 4.621 -6.367 352 1HB LYS 28 HB2 LYS 28 -7.380 3.820 -5.475 353 2HB LYS 28 HB1 LYS 28 -7.253 4.764 -6.959 354 1HG LYS 28 HG2 LYS 28 -9.204 5.838 -5.037 355 2HG LYS 28 HG1 LYS 28 -7.544 5.840 -4.441 356 1HD LYS 28 HD2 LYS 28 -6.946 6.845 -6.764 357 2HD LYS 28 HD1 LYS 28 -8.669 7.209 -6.878 358 1HE LYS 28 HE2 LYS 28 -7.419 7.947 -4.305 359 2HE LYS 28 HE1 LYS 28 -6.837 8.858 -5.698 360 1HZ LYS 28 HZ1 LYS 28 -8.704 10.007 -4.888 361 2HZ LYS 28 HZ2 LYS 28 -9.626 8.588 -4.735 362 3HZ LYS 28 HZ3 LYS 28 -9.243 9.195 -6.275 363 HA PRO 29 HA PRO 29 -9.500 2.531 -10.487 364 1HB PRO 29 HB2 PRO 29 -12.169 2.464 -11.128 365 2HB PRO 29 HB1 PRO 29 -11.335 1.154 -10.274 366 1HG PRO 29 HG2 PRO 29 -13.247 3.173 -9.200 367 2HG PRO 29 HG1 PRO 29 -12.871 1.550 -8.596 368 1HD PRO 29 HD2 PRO 29 -11.898 4.001 -7.537 369 2HD PRO 29 HD1 PRO 29 -11.316 2.373 -7.128 370 H THR 30 H THR 30 -12.376 4.640 -10.168 371 HA THR 30 HA THR 30 -11.641 6.183 -12.506 372 HB THR 30 HB THR 30 -13.550 7.345 -10.549 373 HG1 THR 30 HG1 THR 30 -14.942 5.724 -10.649 374 1HG2 THR 30 HG21 THR 30 -14.783 6.909 -12.996 375 2HG2 THR 30 HG22 THR 30 -13.097 7.181 -13.434 376 3HG2 THR 30 HG23 THR 30 -13.972 8.396 -12.504 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -7.773 8.093 -1.903 2 2H GLY 1 HT2 GLY 1 -7.667 6.866 -0.733 3 3H GLY 1 HT3 GLY 1 -6.818 6.721 -2.197 4 1HA GLY 1 HA1 GLY 1 -5.549 8.731 -1.457 5 2HA GLY 1 HA2 GLY 1 -6.319 8.583 0.151 6 H ILE 2 H ILE 2 -5.346 5.680 -0.382 7 HA ILE 2 HA ILE 2 -2.687 5.658 0.267 8 HB ILE 2 HB ILE 2 -4.517 3.740 -0.869 9 1HG1 ILE 2 HG12 ILE 2 -1.897 3.132 0.465 10 2HG1 ILE 2 HG11 ILE 2 -3.226 3.867 1.369 11 1HG2 ILE 2 HG21 ILE 2 -3.228 3.601 -2.867 12 2HG2 ILE 2 HG22 ILE 2 -2.717 2.244 -1.864 13 3HG2 ILE 2 HG23 ILE 2 -1.707 3.685 -1.978 14 1HD1 ILE 2 HD11 ILE 2 -4.130 1.832 1.587 15 2HD1 ILE 2 HD12 ILE 2 -2.910 1.126 0.526 16 3HD1 ILE 2 HD13 ILE 2 -4.384 1.813 -0.156 17 H VAL 3 H VAL 3 -3.790 5.444 -3.134 18 HA VAL 3 HA VAL 3 -1.450 5.508 -4.529 19 HB VAL 3 HB VAL 3 -3.891 7.228 -5.022 20 1HG1 VAL 3 HG11 VAL 3 -2.559 6.765 -7.443 21 2HG1 VAL 3 HG12 VAL 3 -1.283 7.222 -6.315 22 3HG1 VAL 3 HG13 VAL 3 -2.655 8.298 -6.578 23 1HG2 VAL 3 HG21 VAL 3 -4.664 5.466 -6.330 24 2HG2 VAL 3 HG22 VAL 3 -3.825 4.588 -5.051 25 3HG2 VAL 3 HG23 VAL 3 -3.043 4.832 -6.613 26 H GLU 4 H GLU 4 -3.010 8.525 -3.389 27 HA GLU 4 HA GLU 4 -0.611 10.049 -3.937 28 1HB GLU 4 HB2 GLU 4 -3.143 10.815 -3.761 29 2HB GLU 4 HB1 GLU 4 -2.733 11.036 -2.061 30 1HG GLU 4 HG2 GLU 4 -1.393 12.826 -2.483 31 2HG GLU 4 HG1 GLU 4 -0.744 12.114 -3.960 32 H GLN 5 H GLN 5 -2.067 8.575 -1.069 33 HA GLN 5 HA GLN 5 -0.340 9.743 0.878 34 1HB GLN 5 HB2 GLN 5 -2.380 8.413 1.431 35 2HB GLN 5 HB1 GLN 5 -1.537 6.955 0.907 36 1HG GLN 5 HG2 GLN 5 -0.162 6.915 2.747 37 2HG GLN 5 HG1 GLN 5 -0.128 8.674 2.889 38 1HE2 GLN 5 HE21 GLN 5 -0.767 6.612 5.007 39 2HE2 GLN 5 HE22 GLN 5 -2.312 7.029 5.577 40 H CYS 6 H CYS 6 0.099 7.064 -1.365 41 HA CYS 6 HA CYS 6 2.792 6.571 -0.188 42 1HB CYS 6 HB2 CYS 6 1.004 4.904 -1.962 43 2HB CYS 6 HB1 CYS 6 2.723 4.563 -1.785 44 H CYS 7 H CYS 7 1.146 7.702 -3.084 45 HA CYS 7 HA CYS 7 3.526 7.509 -4.735 46 1HB CYS 7 HB2 CYS 7 1.300 7.563 -5.796 47 2HB CYS 7 HB1 CYS 7 1.005 9.163 -5.138 48 H THR 8 H THR 8 1.798 10.587 -4.215 49 HA THR 8 HA THR 8 3.999 12.284 -4.415 50 HB THR 8 HB THR 8 2.765 13.871 -2.961 51 HG1 THR 8 HG1 THR 8 0.678 12.946 -2.191 52 1HG2 THR 8 HG21 THR 8 1.897 13.934 -5.123 53 2HG2 THR 8 HG22 THR 8 0.458 13.555 -4.175 54 3HG2 THR 8 HG23 THR 8 1.306 12.274 -5.042 55 H SER 9 H SER 9 2.662 11.154 -1.299 56 HA SER 9 HA SER 9 5.263 11.561 0.011 57 1HB SER 9 HB2 SER 9 3.014 11.849 1.190 58 2HB SER 9 HB1 SER 9 2.818 10.103 1.080 59 HG SER 9 HG SER 9 4.722 11.616 2.510 60 H ILE 10 H ILE 10 5.590 9.194 1.484 61 HA ILE 10 HA ILE 10 5.475 7.039 -0.572 62 HB ILE 10 HB ILE 10 7.968 7.894 0.925 63 1HG1 ILE 10 HG12 ILE 10 8.868 7.950 -1.441 64 2HG1 ILE 10 HG11 ILE 10 7.210 7.757 -2.003 65 1HG2 ILE 10 HG21 ILE 10 7.155 5.373 -0.437 66 2HG2 ILE 10 HG22 ILE 10 8.220 5.604 0.946 67 3HG2 ILE 10 HG23 ILE 10 8.802 5.944 -0.683 68 1HD1 ILE 10 HD11 ILE 10 6.812 9.951 -1.719 69 2HD1 ILE 10 HD12 ILE 10 8.513 10.165 -1.307 70 3HD1 ILE 10 HD13 ILE 10 7.329 9.859 -0.035 71 H CYS 11 H CYS 11 5.551 4.874 0.337 72 HA CYS 11 HA CYS 11 5.301 4.848 3.327 73 1HB CYS 11 HB2 CYS 11 3.579 2.989 3.015 74 2HB CYS 11 HB1 CYS 11 3.040 4.615 2.614 75 H SER 12 H SER 12 5.180 2.281 3.939 76 HA SER 12 HA SER 12 7.595 1.095 2.621 77 1HB SER 12 HB2 SER 12 7.953 -0.065 4.807 78 2HB SER 12 HB1 SER 12 8.018 1.689 4.952 79 HG SER 12 HG SER 12 6.698 0.795 6.567 80 H LEU 13 H LEU 13 7.587 -1.424 3.029 81 HA LEU 13 HA LEU 13 5.338 -2.497 1.634 82 1HB LEU 13 HB2 LEU 13 7.139 -4.152 3.401 83 2HB LEU 13 HB1 LEU 13 6.353 -4.621 1.896 84 HG LEU 13 HG LEU 13 8.679 -2.714 2.242 85 1HD1 LEU 13 HD11 LEU 13 8.676 -5.414 1.969 86 2HD1 LEU 13 HD12 LEU 13 9.955 -4.379 1.332 87 3HD1 LEU 13 HD13 LEU 13 8.657 -4.932 0.273 88 1HD2 LEU 13 HD21 LEU 13 6.584 -2.603 0.308 89 2HD2 LEU 13 HD22 LEU 13 8.017 -3.231 -0.499 90 3HD2 LEU 13 HD23 LEU 13 8.083 -1.677 0.331 91 H TYR 14 H TYR 14 6.181 -2.501 5.091 92 HA TYR 14 HA TYR 14 4.263 -4.169 6.161 93 1HB TYR 14 HB2 TYR 14 5.905 -2.726 7.445 94 2HB TYR 14 HB1 TYR 14 4.793 -1.377 7.222 95 HD1 TYR 14 HD1 TYR 14 4.245 -5.008 8.025 96 HD2 TYR 14 HD2 TYR 14 3.715 -0.919 9.242 97 HE1 TYR 14 HE1 TYR 14 2.941 -5.763 10.001 98 HE2 TYR 14 HE2 TYR 14 2.411 -1.675 11.214 99 HH TYR 14 HH TYR 14 2.462 -4.207 12.585 100 H GLN 15 H GLN 15 3.758 -0.793 5.152 101 HA GLN 15 HA GLN 15 0.930 -0.842 5.722 102 1HB GLN 15 HB2 GLN 15 2.332 1.001 3.767 103 2HB GLN 15 HB1 GLN 15 0.895 1.346 4.726 104 1HG GLN 15 HG2 GLN 15 2.807 0.617 6.619 105 2HG GLN 15 HG1 GLN 15 3.704 1.597 5.458 106 1HE2 GLN 15 HE21 GLN 15 0.275 1.842 6.541 107 2HE2 GLN 15 HE22 GLN 15 0.403 3.450 7.072 108 H LEU 16 H LEU 16 2.644 -0.752 2.548 109 HA LEU 16 HA LEU 16 0.410 -1.265 0.931 110 1HB LEU 16 HB2 LEU 16 3.285 -1.502 0.692 111 2HB LEU 16 HB1 LEU 16 2.488 -2.847 -0.131 112 HG LEU 16 HG LEU 16 0.880 -0.944 -1.009 113 1HD1 LEU 16 HD11 LEU 16 3.069 0.500 0.284 114 2HD1 LEU 16 HD12 LEU 16 1.515 1.103 -0.290 115 3HD1 LEU 16 HD13 LEU 16 2.872 0.956 -1.408 116 1HD2 LEU 16 HD21 LEU 16 1.985 -1.145 -3.006 117 2HD2 LEU 16 HD22 LEU 16 2.815 -2.425 -2.118 118 3HD2 LEU 16 HD23 LEU 16 3.564 -0.835 -2.283 119 H GLU 17 H GLU 17 2.091 -3.299 3.176 120 HA GLU 17 HA GLU 17 0.910 -5.830 2.270 121 1HB GLU 17 HB2 GLU 17 2.314 -4.993 4.834 122 2HB GLU 17 HB1 GLU 17 1.699 -6.621 4.562 123 1HG GLU 17 HG2 GLU 17 3.654 -5.269 2.691 124 2HG GLU 17 HG1 GLU 17 4.160 -6.288 4.039 125 H ASN 18 H ASN 18 0.429 -3.414 4.756 126 HA ASN 18 HA ASN 18 -1.824 -4.592 6.036 127 1HB ASN 18 HB2 ASN 18 -1.417 -2.886 7.449 128 2HB ASN 18 HB1 ASN 18 -0.185 -2.320 6.337 129 1HD2 ASN 18 HD21 ASN 18 -1.487 -1.337 4.231 130 2HD2 ASN 18 HD22 ASN 18 -2.602 -0.159 4.675 131 H TYR 19 H TYR 19 -1.487 -2.952 3.017 132 HA TYR 19 HA TYR 19 -4.400 -2.433 2.909 133 1HB TYR 19 HB2 TYR 19 -2.116 -1.646 1.098 134 2HB TYR 19 HB1 TYR 19 -3.811 -1.343 0.702 135 HD1 TYR 19 HD1 TYR 19 -1.032 0.181 2.002 136 HD2 TYR 19 HD2 TYR 19 -5.160 -0.494 2.960 137 HE1 TYR 19 HE1 TYR 19 -0.995 2.143 3.500 138 HE2 TYR 19 HE2 TYR 19 -5.139 1.462 4.467 139 HH TYR 19 HH TYR 19 -3.461 3.789 4.440 140 H CYS 20 H CYS 20 -2.682 -5.062 2.525 141 HA CYS 20 HA CYS 20 -3.595 -5.889 -0.145 142 1HB CYS 20 HB2 CYS 20 -1.931 -7.066 2.042 143 2HB CYS 20 HB1 CYS 20 -2.520 -8.079 0.765 144 H ASN 21 H ASN 21 -4.444 -8.435 0.135 145 HA ASN 21 HA ASN 21 -6.846 -8.154 1.888 146 1HB ASN 21 HB2 ASN 21 -7.132 -8.475 -0.626 147 2HB ASN 21 HB1 ASN 21 -6.490 -10.098 -0.398 148 1HD2 ASN 21 HD21 ASN 21 -8.698 -8.267 1.766 149 2HD2 ASN 21 HD22 ASN 21 -9.961 -9.396 1.684 150 1H PHE 1 HT1 PHE 1 11.398 -2.720 -0.073 151 2H PHE 1 HT2 PHE 1 11.206 -2.992 -1.740 152 3H PHE 1 HT3 PHE 1 9.846 -2.721 -0.758 153 HA PHE 1 HA PHE 1 11.958 -0.773 -1.494 154 1HB PHE 1 HB2 PHE 1 9.233 0.112 -1.817 155 2HB PHE 1 HB1 PHE 1 10.489 -0.051 -3.042 156 HD1 PHE 1 HD1 PHE 1 7.397 -1.361 -1.778 157 HD2 PHE 1 HD2 PHE 1 10.917 -2.412 -4.008 158 HE1 PHE 1 HE1 PHE 1 6.215 -3.327 -2.717 159 HE2 PHE 1 HE2 PHE 1 9.735 -4.379 -4.947 160 HZ PHE 1 HZ PHE 1 7.381 -4.837 -4.302 161 H VAL 2 H VAL 2 12.561 0.268 0.345 162 HA VAL 2 HA VAL 2 10.721 0.573 2.603 163 HB VAL 2 HB VAL 2 13.217 0.238 2.837 164 1HG1 VAL 2 HG11 VAL 2 14.727 1.976 2.301 165 2HG1 VAL 2 HG12 VAL 2 13.436 3.164 2.131 166 3HG1 VAL 2 HG13 VAL 2 13.648 1.910 0.908 167 1HG2 VAL 2 HG21 VAL 2 12.626 2.881 4.090 168 2HG2 VAL 2 HG22 VAL 2 13.242 1.403 4.826 169 3HG2 VAL 2 HG23 VAL 2 11.524 1.554 4.459 170 H ASN 3 H ASN 3 11.832 2.490 -0.105 171 HA ASN 3 HA ASN 3 9.952 4.654 0.731 172 1HB ASN 3 HB2 ASN 3 12.814 4.956 -0.213 173 2HB ASN 3 HB1 ASN 3 11.649 6.281 -0.263 174 1HD2 ASN 3 HD21 ASN 3 14.089 6.098 1.444 175 2HD2 ASN 3 HD22 ASN 3 13.541 6.194 3.048 176 H GLN 4 H GLN 4 8.455 3.827 -0.829 177 HA GLN 4 HA GLN 4 9.348 4.266 -3.643 178 1HB GLN 4 HB2 GLN 4 8.723 1.831 -2.719 179 2HB GLN 4 HB1 GLN 4 7.095 2.391 -3.111 180 1HG GLN 4 HG2 GLN 4 8.172 1.231 -5.032 181 2HG GLN 4 HG1 GLN 4 7.796 2.913 -5.401 182 1HE2 GLN 4 HE21 GLN 4 10.427 0.632 -4.825 183 2HE2 GLN 4 HE22 GLN 4 11.681 1.689 -5.262 184 H HIS 5 H HIS 5 8.100 5.535 -4.876 185 HA HIS 5 HA HIS 5 5.739 6.848 -3.635 186 1HB HIS 5 HB2 HIS 5 6.843 7.615 -6.324 187 2HB HIS 5 HB1 HIS 5 6.164 8.655 -5.075 188 HD2 HIS 5 HD2 HIS 5 9.590 7.020 -6.036 189 HE1 HIS 5 HE1 HIS 5 10.208 9.564 -2.715 190 HE2 HIS 5 HE2 HIS 5 11.359 8.124 -4.480 191 H LEU 6 H LEU 6 4.349 4.952 -3.965 192 HA LEU 6 HA LEU 6 3.947 3.952 -6.688 193 1HB LEU 6 HB2 LEU 6 2.647 3.353 -4.058 194 2HB LEU 6 HB1 LEU 6 2.091 2.676 -5.574 195 HG LEU 6 HG LEU 6 3.897 1.266 -5.756 196 1HD1 LEU 6 HD11 LEU 6 5.503 3.196 -5.928 197 2HD1 LEU 6 HD12 LEU 6 6.160 1.801 -5.073 198 3HD1 LEU 6 HD13 LEU 6 5.602 3.206 -4.165 199 1HD2 LEU 6 HD21 LEU 6 4.134 0.218 -3.734 200 2HD2 LEU 6 HD22 LEU 6 2.869 1.353 -3.264 201 3HD2 LEU 6 HD23 LEU 6 4.555 1.710 -2.895 202 H CYS 7 H CYS 7 2.499 4.666 -8.110 203 HA CYS 7 HA CYS 7 0.073 6.008 -7.065 204 1HB CYS 7 HB2 CYS 7 0.930 7.152 -9.610 205 2HB CYS 7 HB1 CYS 7 0.413 7.970 -8.143 206 H GLY 8 H GLY 8 -1.742 5.210 -8.071 207 1HA GLY 8 HA2 GLY 8 -2.967 3.710 -9.416 208 2HA GLY 8 HA1 GLY 8 -2.159 4.570 -10.724 209 H SER 9 H SER 9 -1.088 3.248 -12.084 210 HA SER 9 HA SER 9 -0.769 0.512 -11.897 211 1HB SER 9 HB2 SER 9 1.507 1.151 -13.259 212 2HB SER 9 HB1 SER 9 -0.100 1.125 -13.977 213 HG SER 9 HG SER 9 1.554 3.210 -13.522 214 H ASP 10 H ASP 10 2.000 2.718 -11.255 215 HA ASP 10 HA ASP 10 3.773 0.883 -10.172 216 1HB ASP 10 HB2 ASP 10 3.263 3.767 -9.755 217 2HB ASP 10 HB1 ASP 10 4.134 2.976 -8.441 218 H LEU 11 H LEU 11 1.000 2.384 -8.568 219 HA LEU 11 HA LEU 11 1.462 1.161 -5.997 220 1HB LEU 11 HB2 LEU 11 -0.092 3.154 -6.640 221 2HB LEU 11 HB1 LEU 11 -1.253 1.904 -7.077 222 HG LEU 11 HG LEU 11 -1.157 0.987 -4.797 223 1HD1 LEU 11 HD11 LEU 11 1.169 1.563 -4.248 224 2HD1 LEU 11 HD12 LEU 11 0.075 2.248 -3.049 225 3HD1 LEU 11 HD13 LEU 11 0.764 3.278 -4.301 226 1HD2 LEU 11 HD21 LEU 11 -1.524 3.692 -3.929 227 2HD2 LEU 11 HD22 LEU 11 -2.751 2.471 -4.276 228 3HD2 LEU 11 HD23 LEU 11 -2.159 3.523 -5.564 229 H THR 12 H THR 12 -0.698 0.320 -8.720 230 HA THR 12 HA THR 12 -1.636 -2.135 -7.614 231 HB THR 12 HB THR 12 -1.133 -1.329 -10.492 232 HG1 THR 12 HG1 THR 12 -3.116 -0.594 -10.408 233 1HG2 THR 12 HG21 THR 12 -1.977 -3.879 -9.279 234 2HG2 THR 12 HG22 THR 12 -1.300 -3.560 -10.875 235 3HG2 THR 12 HG23 THR 12 -3.019 -3.301 -10.579 236 H GLU 13 H GLU 13 1.065 -1.518 -9.879 237 HA GLU 13 HA GLU 13 2.170 -4.051 -10.069 238 1HB GLU 13 HB2 GLU 13 3.185 -1.304 -10.191 239 2HB GLU 13 HB1 GLU 13 4.414 -2.476 -9.717 240 1HG GLU 13 HG2 GLU 13 3.307 -3.878 -11.705 241 2HG GLU 13 HG1 GLU 13 2.886 -2.263 -12.275 242 H ALA 14 H ALA 14 2.719 -1.713 -7.420 243 HA ALA 14 HA ALA 14 4.310 -3.589 -5.871 244 1HB ALA 14 HB1 ALA 14 4.299 -1.018 -5.679 245 2HB ALA 14 HB2 ALA 14 4.293 -1.922 -4.165 246 3HB ALA 14 HB3 ALA 14 2.799 -1.209 -4.771 247 H LEU 15 H LEU 15 1.064 -2.204 -5.334 248 HA LEU 15 HA LEU 15 0.138 -3.850 -3.276 249 1HB LEU 15 HB2 LEU 15 -1.026 -2.265 -5.437 250 2HB LEU 15 HB1 LEU 15 -2.016 -3.660 -5.069 251 HG LEU 15 HG LEU 15 -1.220 -1.377 -3.254 252 1HD1 LEU 15 HD11 LEU 15 -3.558 -1.064 -2.993 253 2HD1 LEU 15 HD12 LEU 15 -3.926 -2.676 -3.604 254 3HD1 LEU 15 HD13 LEU 15 -3.353 -1.427 -4.707 255 1HD2 LEU 15 HD21 LEU 15 -2.597 -2.846 -1.528 256 2HD2 LEU 15 HD22 LEU 15 -0.856 -3.066 -1.701 257 3HD2 LEU 15 HD23 LEU 15 -1.971 -4.180 -2.497 258 H TYR 16 H TYR 16 0.152 -4.523 -6.756 259 HA TYR 16 HA TYR 16 -1.084 -7.079 -6.700 260 1HB TYR 16 HB2 TYR 16 -0.243 -5.469 -8.666 261 2HB TYR 16 HB1 TYR 16 1.132 -6.567 -8.632 262 HD1 TYR 16 HD1 TYR 16 -2.240 -6.062 -9.720 263 HD2 TYR 16 HD2 TYR 16 0.649 -9.093 -8.754 264 HE1 TYR 16 HE1 TYR 16 -3.566 -7.730 -10.993 265 HE2 TYR 16 HE2 TYR 16 -0.676 -10.762 -10.029 266 HH TYR 16 HH TYR 16 -2.900 -10.040 -12.231 267 H LEU 17 H LEU 17 2.296 -6.129 -6.147 268 HA LEU 17 HA LEU 17 3.085 -8.968 -5.989 269 1HB LEU 17 HB2 LEU 17 4.486 -6.946 -6.945 270 2HB LEU 17 HB1 LEU 17 4.937 -6.738 -5.250 271 HG LEU 17 HG LEU 17 5.236 -9.281 -6.883 272 1HD1 LEU 17 HD11 LEU 17 7.532 -8.864 -6.940 273 2HD1 LEU 17 HD12 LEU 17 7.467 -7.768 -5.560 274 3HD1 LEU 17 HD13 LEU 17 6.869 -7.240 -7.133 275 1HD2 LEU 17 HD21 LEU 17 4.793 -10.028 -4.699 276 2HD2 LEU 17 HD22 LEU 17 5.605 -8.647 -3.962 277 3HD2 LEU 17 HD23 LEU 17 6.553 -9.924 -4.725 278 H VAL 18 H VAL 18 3.088 -6.131 -3.768 279 HA VAL 18 HA VAL 18 4.081 -7.309 -1.477 280 HB VAL 18 HB VAL 18 1.922 -6.032 -0.378 281 1HG1 VAL 18 HG11 VAL 18 3.900 -4.115 -1.272 282 2HG1 VAL 18 HG12 VAL 18 4.660 -5.611 -0.730 283 3HG1 VAL 18 HG13 VAL 18 3.587 -4.724 0.352 284 1HG2 VAL 18 HG21 VAL 18 1.386 -5.605 -2.966 285 2HG2 VAL 18 HG22 VAL 18 2.537 -4.290 -2.723 286 3HG2 VAL 18 HG23 VAL 18 1.076 -4.376 -1.739 287 H CYS 19 H CYS 19 0.779 -7.610 -2.676 288 HA CYS 19 HA CYS 19 0.223 -9.678 -0.623 289 1HB CYS 19 HB2 CYS 19 -1.776 -9.331 -2.755 290 2HB CYS 19 HB1 CYS 19 -1.979 -9.298 -1.013 291 H GLY 20 H GLY 20 -0.419 -9.580 -4.120 292 1HA GLY 20 HA2 GLY 20 0.410 -11.120 -5.770 293 2HA GLY 20 HA1 GLY 20 1.031 -12.140 -4.468 294 H GLU 21 H GLU 21 -0.039 -14.081 -4.667 295 HA GLU 21 HA GLU 21 -2.611 -14.459 -5.768 296 1HB GLU 21 HB2 GLU 21 -1.453 -16.102 -3.496 297 2HB GLU 21 HB1 GLU 21 -2.602 -16.634 -4.725 298 1HG GLU 21 HG2 GLU 21 -0.186 -15.510 -5.912 299 2HG GLU 21 HG1 GLU 21 0.175 -16.878 -4.859 300 H ARG 22 H ARG 22 -1.643 -13.143 -2.736 301 HA ARG 22 HA ARG 22 -4.110 -13.600 -1.299 302 1HB ARG 22 HB2 ARG 22 -1.800 -11.689 -0.961 303 2HB ARG 22 HB1 ARG 22 -3.231 -11.582 0.065 304 1HG ARG 22 HG2 ARG 22 -2.742 -13.523 1.175 305 2HG ARG 22 HG1 ARG 22 -2.050 -14.289 -0.256 306 1HD ARG 22 HD2 ARG 22 -0.513 -11.967 0.672 307 2HD ARG 22 HD1 ARG 22 -0.592 -13.271 1.856 308 HE ARG 22 HE ARG 22 0.941 -13.327 -0.571 309 1HH1 ARG 22 HH21 ARG 22 1.585 -15.062 1.731 310 2HH1 ARG 22 HH22 ARG 22 1.122 -16.635 1.172 311 1HH2 ARG 22 HH11 ARG 22 -0.823 -15.430 -1.432 312 2HH2 ARG 22 HH12 ARG 22 -0.239 -16.843 -0.618 313 H GLY 23 H GLY 23 -3.310 -11.621 -3.931 314 1HA GLY 23 HA2 GLY 23 -4.582 -9.977 -5.038 315 2HA GLY 23 HA1 GLY 23 -5.915 -10.374 -3.949 316 H PHE 24 H PHE 24 -5.631 -7.733 -4.466 317 HA PHE 24 HA PHE 24 -4.458 -6.687 -1.902 318 1HB PHE 24 HB2 PHE 24 -3.961 -4.607 -3.336 319 2HB PHE 24 HB1 PHE 24 -2.857 -5.957 -3.481 320 HD1 PHE 24 HD1 PHE 24 -5.027 -3.719 -5.217 321 HD2 PHE 24 HD2 PHE 24 -3.307 -7.653 -5.391 322 HE1 PHE 24 HE1 PHE 24 -5.465 -3.800 -7.656 323 HE2 PHE 24 HE2 PHE 24 -3.741 -7.733 -7.830 324 HZ PHE 24 HZ PHE 24 -4.818 -5.806 -8.966 325 H PHE 25 H PHE 25 -5.140 -4.068 -2.158 326 HA PHE 25 HA PHE 25 -8.113 -4.152 -2.290 327 1HB PHE 25 HB2 PHE 25 -6.129 -2.824 -0.582 328 2HB PHE 25 HB1 PHE 25 -7.443 -1.771 -1.113 329 HD1 PHE 25 HD1 PHE 25 -7.153 -5.381 -0.223 330 HD2 PHE 25 HD2 PHE 25 -9.156 -1.647 0.428 331 HE1 PHE 25 HE1 PHE 25 -8.641 -6.473 1.397 332 HE2 PHE 25 HE2 PHE 25 -10.653 -2.727 2.055 333 HZ PHE 25 HZ PHE 25 -10.416 -5.158 2.556 334 H TYR 26 H TYR 26 -6.006 -1.335 -2.418 335 HA TYR 26 HA TYR 26 -5.798 0.350 -4.036 336 1HB TYR 26 HB2 TYR 26 -5.409 -1.683 -5.565 337 2HB TYR 26 HB1 TYR 26 -7.116 -1.570 -5.972 338 HD1 TYR 26 HD1 TYR 26 -6.149 1.698 -5.264 339 HD2 TYR 26 HD2 TYR 26 -5.666 -1.330 -8.278 340 HE1 TYR 26 HE1 TYR 26 -5.628 3.449 -6.943 341 HE2 TYR 26 HE2 TYR 26 -5.146 0.423 -9.954 342 HH TYR 26 HH TYR 26 -5.718 2.961 -10.193 343 H THR 27 H THR 27 -7.509 1.342 -2.679 344 HA THR 27 HA THR 27 -10.300 0.972 -3.416 345 HB THR 27 HB THR 27 -10.523 3.092 -1.917 346 HG1 THR 27 HG1 THR 27 -8.743 3.653 -0.821 347 1HG2 THR 27 HG21 THR 27 -10.220 1.702 0.114 348 2HG2 THR 27 HG22 THR 27 -9.354 0.506 -0.850 349 3HG2 THR 27 HG23 THR 27 -11.062 0.821 -1.162 350 H LYS 28 H LYS 28 -10.365 1.536 -5.668 351 HA LYS 28 HA LYS 28 -9.959 4.453 -6.205 352 1HB LYS 28 HB2 LYS 28 -8.392 3.060 -7.499 353 2HB LYS 28 HB1 LYS 28 -9.744 2.122 -8.137 354 1HG LYS 28 HG2 LYS 28 -10.268 3.711 -9.665 355 2HG LYS 28 HG1 LYS 28 -10.089 5.014 -8.489 356 1HD LYS 28 HD2 LYS 28 -7.605 4.816 -8.718 357 2HD LYS 28 HD1 LYS 28 -7.853 3.625 -9.995 358 1HE LYS 28 HE2 LYS 28 -9.365 5.464 -11.074 359 2HE LYS 28 HE1 LYS 28 -8.496 6.566 -10.005 360 1HZ LYS 28 HZ1 LYS 28 -7.189 4.678 -11.888 361 2HZ LYS 28 HZ2 LYS 28 -6.427 5.873 -10.950 362 3HZ LYS 28 HZ3 LYS 28 -7.467 6.318 -12.218 363 HA PRO 29 HA PRO 29 -14.423 3.682 -6.703 364 1HB PRO 29 HB2 PRO 29 -15.150 6.118 -5.658 365 2HB PRO 29 HB1 PRO 29 -14.855 4.678 -4.668 366 1HG PRO 29 HG2 PRO 29 -13.134 7.086 -5.038 367 2HG PRO 29 HG1 PRO 29 -13.232 5.978 -3.660 368 1HD PRO 29 HD2 PRO 29 -11.213 5.974 -5.639 369 2HD PRO 29 HD1 PRO 29 -11.528 4.675 -4.469 370 H THR 30 H THR 30 -16.064 5.168 -7.877 371 HA THR 30 HA THR 30 -14.687 6.376 -10.195 372 HB THR 30 HB THR 30 -16.535 4.878 -10.691 373 HG1 THR 30 HG1 THR 30 -16.419 6.622 -12.066 374 1HG2 THR 30 HG21 THR 30 -18.155 4.719 -9.132 375 2HG2 THR 30 HG22 THR 30 -18.835 6.191 -9.826 376 3HG2 THR 30 HG23 THR 30 -17.742 6.289 -8.445 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -6.572 5.879 0.219 2 2H GLY 1 HT2 GLY 1 -7.694 5.787 -1.052 3 3H GLY 1 HT3 GLY 1 -7.646 7.162 -0.056 4 1HA GLY 1 HA1 GLY 1 -6.028 6.608 -2.311 5 2HA GLY 1 HA2 GLY 1 -6.352 8.194 -1.551 6 H ILE 2 H ILE 2 -5.098 4.851 -0.715 7 HA ILE 2 HA ILE 2 -2.560 5.291 0.101 8 HB ILE 2 HB ILE 2 -3.771 3.097 -0.193 9 1HG1 ILE 2 HG12 ILE 2 -1.269 2.216 -1.148 10 2HG1 ILE 2 HG11 ILE 2 -0.971 3.711 -0.251 11 1HG2 ILE 2 HG21 ILE 2 -2.674 2.080 -2.492 12 2HG2 ILE 2 HG22 ILE 2 -3.141 3.701 -2.995 13 3HG2 ILE 2 HG23 ILE 2 -4.345 2.610 -2.320 14 1HD1 ILE 2 HD11 ILE 2 -2.260 1.171 0.696 15 2HD1 ILE 2 HD12 ILE 2 -2.612 2.705 1.494 16 3HD1 ILE 2 HD13 ILE 2 -0.956 2.096 1.443 17 H VAL 3 H VAL 3 -3.628 5.678 -3.231 18 HA VAL 3 HA VAL 3 -1.173 5.527 -4.586 19 HB VAL 3 HB VAL 3 -3.519 7.389 -5.008 20 1HG1 VAL 3 HG11 VAL 3 -2.088 8.605 -6.290 21 2HG1 VAL 3 HG12 VAL 3 -2.161 7.244 -7.407 22 3HG1 VAL 3 HG13 VAL 3 -0.845 7.355 -6.238 23 1HG2 VAL 3 HG21 VAL 3 -3.761 5.824 -7.020 24 2HG2 VAL 3 HG22 VAL 3 -4.098 5.112 -5.443 25 3HG2 VAL 3 HG23 VAL 3 -2.556 4.800 -6.241 26 H GLU 4 H GLU 4 -2.606 8.615 -3.468 27 HA GLU 4 HA GLU 4 -0.158 10.018 -3.718 28 1HB GLU 4 HB2 GLU 4 -1.289 11.796 -2.525 29 2HB GLU 4 HB1 GLU 4 -2.443 11.043 -3.614 30 1HG GLU 4 HG2 GLU 4 -3.282 9.655 -1.736 31 2HG GLU 4 HG1 GLU 4 -2.162 10.475 -0.647 32 H GLN 5 H GLN 5 -1.696 8.460 -0.905 33 HA GLN 5 HA GLN 5 0.007 9.281 1.137 34 1HB GLN 5 HB2 GLN 5 -1.930 7.672 1.356 35 2HB GLN 5 HB1 GLN 5 -0.864 6.406 0.744 36 1HG GLN 5 HG2 GLN 5 0.618 7.679 2.757 37 2HG GLN 5 HG1 GLN 5 -1.014 7.538 3.414 38 1HE2 GLN 5 HE21 GLN 5 -1.912 5.140 2.329 39 2HE2 GLN 5 HE22 GLN 5 -0.922 3.859 2.837 40 H CYS 6 H CYS 6 0.598 6.613 -1.181 41 HA CYS 6 HA CYS 6 3.399 6.465 -0.208 42 1HB CYS 6 HB2 CYS 6 1.934 4.738 -2.223 43 2HB CYS 6 HB1 CYS 6 3.577 4.469 -1.648 44 H CYS 7 H CYS 7 1.556 7.866 -2.768 45 HA CYS 7 HA CYS 7 3.954 8.001 -4.490 46 1HB CYS 7 HB2 CYS 7 1.762 7.521 -5.558 47 2HB CYS 7 HB1 CYS 7 1.173 9.093 -5.037 48 H THR 8 H THR 8 1.558 10.620 -3.991 49 HA THR 8 HA THR 8 3.288 12.787 -4.137 50 HB THR 8 HB THR 8 1.772 13.916 -2.418 51 HG1 THR 8 HG1 THR 8 0.138 12.736 -1.578 52 1HG2 THR 8 HG21 THR 8 1.122 14.176 -4.671 53 2HG2 THR 8 HG22 THR 8 -0.323 13.545 -3.882 54 3HG2 THR 8 HG23 THR 8 0.702 12.472 -4.836 55 H SER 9 H SER 9 2.710 10.620 -1.464 56 HA SER 9 HA SER 9 5.129 11.689 -0.072 57 1HB SER 9 HB2 SER 9 2.558 11.394 0.975 58 2HB SER 9 HB1 SER 9 3.374 9.921 1.491 59 HG SER 9 HG SER 9 4.164 12.615 1.920 60 H ILE 10 H ILE 10 5.750 9.399 1.429 61 HA ILE 10 HA ILE 10 5.716 7.231 -0.624 62 HB ILE 10 HB ILE 10 8.143 8.295 0.838 63 1HG1 ILE 10 HG12 ILE 10 9.046 8.275 -1.514 64 2HG1 ILE 10 HG11 ILE 10 7.435 7.832 -2.076 65 1HG2 ILE 10 HG21 ILE 10 9.205 6.299 -0.486 66 2HG2 ILE 10 HG22 ILE 10 7.574 5.632 -0.427 67 3HG2 ILE 10 HG23 ILE 10 8.434 5.987 1.068 68 1HD1 ILE 10 HD11 ILE 10 7.361 10.126 -0.280 69 2HD1 ILE 10 HD12 ILE 10 6.697 9.957 -1.906 70 3HD1 ILE 10 HD13 ILE 10 8.384 10.425 -1.684 71 H CYS 11 H CYS 11 5.911 5.081 0.241 72 HA CYS 11 HA CYS 11 5.779 4.862 3.209 73 1HB CYS 11 HB2 CYS 11 3.772 3.536 3.175 74 2HB CYS 11 HB1 CYS 11 3.431 4.996 2.249 75 H SER 12 H SER 12 5.485 2.249 3.605 76 HA SER 12 HA SER 12 7.543 0.954 1.857 77 1HB SER 12 HB2 SER 12 8.607 0.054 3.714 78 2HB SER 12 HB1 SER 12 8.055 1.587 4.381 79 HG SER 12 HG SER 12 6.856 0.487 5.698 80 H LEU 13 H LEU 13 7.383 -1.627 2.577 81 HA LEU 13 HA LEU 13 4.887 -2.501 1.438 82 1HB LEU 13 HB2 LEU 13 6.849 -4.177 3.025 83 2HB LEU 13 HB1 LEU 13 5.685 -4.748 1.832 84 HG LEU 13 HG LEU 13 8.230 -3.200 1.392 85 1HD1 LEU 13 HD11 LEU 13 8.890 -5.124 0.417 86 2HD1 LEU 13 HD12 LEU 13 7.420 -5.209 -0.553 87 3HD1 LEU 13 HD13 LEU 13 7.436 -5.863 1.085 88 1HD2 LEU 13 HD21 LEU 13 6.488 -1.920 0.225 89 2HD2 LEU 13 HD22 LEU 13 5.872 -3.400 -0.511 90 3HD2 LEU 13 HD23 LEU 13 7.471 -2.799 -0.945 91 H TYR 14 H TYR 14 6.162 -2.550 4.769 92 HA TYR 14 HA TYR 14 4.172 -3.933 6.098 93 1HB TYR 14 HB2 TYR 14 6.170 -2.772 7.141 94 2HB TYR 14 HB1 TYR 14 5.253 -1.270 7.064 95 HD1 TYR 14 HD1 TYR 14 4.092 -4.743 7.840 96 HD2 TYR 14 HD2 TYR 14 4.707 -0.746 9.296 97 HE1 TYR 14 HE1 TYR 14 2.942 -5.336 9.960 98 HE2 TYR 14 HE2 TYR 14 3.555 -1.341 11.416 99 HH TYR 14 HH TYR 14 1.934 -4.434 11.813 100 H GLN 15 H GLN 15 3.981 -0.654 4.781 101 HA GLN 15 HA GLN 15 1.338 -0.164 5.894 102 1HB GLN 15 HB2 GLN 15 2.637 1.274 3.569 103 2HB GLN 15 HB1 GLN 15 1.401 1.896 4.661 104 1HG GLN 15 HG2 GLN 15 3.458 1.078 6.359 105 2HG GLN 15 HG1 GLN 15 4.293 1.832 5.001 106 1HE2 GLN 15 HE21 GLN 15 1.152 2.589 6.618 107 2HE2 GLN 15 HE22 GLN 15 1.535 4.214 6.920 108 H LEU 16 H LEU 16 2.595 -1.020 2.656 109 HA LEU 16 HA LEU 16 0.041 -1.154 1.377 110 1HB LEU 16 HB2 LEU 16 2.716 -2.447 0.859 111 2HB LEU 16 HB1 LEU 16 1.316 -2.962 -0.067 112 HG LEU 16 HG LEU 16 1.907 -1.278 -1.485 113 1HD1 LEU 16 HD11 LEU 16 0.919 0.538 0.730 114 2HD1 LEU 16 HD12 LEU 16 -0.126 -0.333 -0.392 115 3HD1 LEU 16 HD13 LEU 16 0.969 0.911 -0.994 116 1HD2 LEU 16 HD21 LEU 16 3.403 0.596 -0.795 117 2HD2 LEU 16 HD22 LEU 16 4.082 -0.996 -0.449 118 3HD2 LEU 16 HD23 LEU 16 3.373 -0.036 0.850 119 H GLU 17 H GLU 17 1.448 -3.068 3.819 120 HA GLU 17 HA GLU 17 0.081 -5.562 3.225 121 1HB GLU 17 HB2 GLU 17 1.518 -4.439 5.624 122 2HB GLU 17 HB1 GLU 17 0.591 -5.932 5.761 123 1HG GLU 17 HG2 GLU 17 2.769 -5.452 3.710 124 2HG GLU 17 HG1 GLU 17 3.002 -6.322 5.227 125 H ASN 18 H ASN 18 -0.658 -2.641 5.050 126 HA ASN 18 HA ASN 18 -2.974 -3.699 6.402 127 1HB ASN 18 HB2 ASN 18 -1.972 -0.917 5.789 128 2HB ASN 18 HB1 ASN 18 -3.487 -1.199 6.637 129 1HD2 ASN 18 HD21 ASN 18 -0.179 -2.643 6.835 130 2HD2 ASN 18 HD22 ASN 18 -0.067 -2.512 8.522 131 H TYR 19 H TYR 19 -2.343 -2.595 3.202 132 HA TYR 19 HA TYR 19 -5.259 -2.326 2.669 133 1HB TYR 19 HB2 TYR 19 -2.844 -1.470 1.051 134 2HB TYR 19 HB1 TYR 19 -4.522 -1.244 0.546 135 HD1 TYR 19 HD1 TYR 19 -1.903 -0.200 2.908 136 HD2 TYR 19 HD2 TYR 19 -6.010 0.301 1.751 137 HE1 TYR 19 HE1 TYR 19 -2.052 1.830 4.323 138 HE2 TYR 19 HE2 TYR 19 -6.163 2.329 3.171 139 HH TYR 19 HH TYR 19 -3.565 3.254 5.341 140 H CYS 20 H CYS 20 -2.629 -4.438 2.326 141 HA CYS 20 HA CYS 20 -3.513 -5.809 -0.098 142 1HB CYS 20 HB2 CYS 20 -1.260 -5.836 1.635 143 2HB CYS 20 HB1 CYS 20 -1.890 -7.469 1.549 144 H ASN 21 H ASN 21 -3.660 -8.433 0.455 145 HA ASN 21 HA ASN 21 -6.267 -8.809 1.485 146 1HB ASN 21 HB2 ASN 21 -4.607 -10.419 0.150 147 2HB ASN 21 HB1 ASN 21 -4.293 -11.038 1.769 148 1HD2 ASN 21 HD21 ASN 21 -6.775 -10.917 2.997 149 2HD2 ASN 21 HD22 ASN 21 -7.899 -11.871 2.156 150 1H PHE 1 HT1 PHE 1 9.997 -3.435 -0.790 151 2H PHE 1 HT2 PHE 1 11.551 -3.815 -0.219 152 3H PHE 1 HT3 PHE 1 11.143 -4.113 -1.841 153 HA PHE 1 HA PHE 1 12.556 -2.068 -1.340 154 1HB PHE 1 HB2 PHE 1 10.774 -0.721 -2.892 155 2HB PHE 1 HB1 PHE 1 11.862 -1.960 -3.515 156 HD1 PHE 1 HD1 PHE 1 8.405 -1.256 -2.391 157 HD2 PHE 1 HD2 PHE 1 11.052 -4.143 -4.159 158 HE1 PHE 1 HE1 PHE 1 6.455 -2.645 -3.041 159 HE2 PHE 1 HE2 PHE 1 9.102 -5.533 -4.810 160 HZ PHE 1 HZ PHE 1 6.803 -4.784 -4.251 161 H VAL 2 H VAL 2 12.673 -0.379 0.050 162 HA VAL 2 HA VAL 2 10.154 0.501 1.385 163 HB VAL 2 HB VAL 2 11.682 1.489 3.091 164 1HG1 VAL 2 HG11 VAL 2 12.725 -0.854 3.726 165 2HG1 VAL 2 HG12 VAL 2 11.747 -1.423 2.373 166 3HG1 VAL 2 HG13 VAL 2 10.976 -0.630 3.747 167 1HG2 VAL 2 HG21 VAL 2 13.884 0.041 1.595 168 2HG2 VAL 2 HG22 VAL 2 14.052 1.110 2.988 169 3HG2 VAL 2 HG23 VAL 2 13.587 1.772 1.420 170 H ASN 3 H ASN 3 10.260 2.961 1.979 171 HA ASN 3 HA ASN 3 10.039 5.107 1.013 172 1HB ASN 3 HB2 ASN 3 12.755 4.397 1.329 173 2HB ASN 3 HB1 ASN 3 12.639 5.176 -0.248 174 1HD2 ASN 3 HD21 ASN 3 12.505 5.726 3.198 175 2HD2 ASN 3 HD22 ASN 3 12.207 7.396 3.123 176 H GLN 4 H GLN 4 8.530 3.963 -0.617 177 HA GLN 4 HA GLN 4 9.718 4.245 -3.348 178 1HB GLN 4 HB2 GLN 4 9.144 1.868 -2.624 179 2HB GLN 4 HB1 GLN 4 7.453 2.370 -2.648 180 1HG GLN 4 HG2 GLN 4 8.100 1.332 -4.794 181 2HG GLN 4 HG1 GLN 4 7.673 3.029 -5.011 182 1HE2 GLN 4 HE21 GLN 4 10.272 0.706 -5.263 183 2HE2 GLN 4 HE22 GLN 4 11.454 1.791 -5.816 184 H HIS 5 H HIS 5 8.477 5.284 -4.888 185 HA HIS 5 HA HIS 5 6.132 6.815 -3.864 186 1HB HIS 5 HB2 HIS 5 7.584 7.266 -6.480 187 2HB HIS 5 HB1 HIS 5 6.627 8.420 -5.555 188 HD2 HIS 5 HD2 HIS 5 9.996 6.406 -4.847 189 HE1 HIS 5 HE1 HIS 5 10.228 10.256 -3.115 190 HE2 HIS 5 HE2 HIS 5 11.486 8.075 -3.518 191 H LEU 6 H LEU 6 4.507 5.153 -4.158 192 HA LEU 6 HA LEU 6 4.174 4.132 -6.941 193 1HB LEU 6 HB2 LEU 6 3.072 3.191 -4.309 194 2HB LEU 6 HB1 LEU 6 2.515 2.583 -5.856 195 HG LEU 6 HG LEU 6 4.169 1.046 -5.682 196 1HD1 LEU 6 HD11 LEU 6 5.265 2.651 -7.238 197 2HD1 LEU 6 HD12 LEU 6 6.425 1.726 -6.284 198 3HD1 LEU 6 HD13 LEU 6 6.065 3.398 -5.858 199 1HD2 LEU 6 HD21 LEU 6 4.256 1.598 -3.246 200 2HD2 LEU 6 HD22 LEU 6 5.508 2.790 -3.597 201 3HD2 LEU 6 HD23 LEU 6 5.812 1.078 -3.891 202 H CYS 7 H CYS 7 2.587 4.883 -8.195 203 HA CYS 7 HA CYS 7 0.141 5.892 -6.880 204 1HB CYS 7 HB2 CYS 7 0.577 7.552 -9.161 205 2HB CYS 7 HB1 CYS 7 0.444 8.038 -7.476 206 H GLY 8 H GLY 8 -1.733 5.590 -8.170 207 1HA GLY 8 HA2 GLY 8 -3.033 4.454 -9.755 208 2HA GLY 8 HA1 GLY 8 -1.845 5.035 -10.920 209 H SER 9 H SER 9 -1.280 3.312 -12.152 210 HA SER 9 HA SER 9 -1.447 0.592 -11.414 211 1HB SER 9 HB2 SER 9 0.605 0.683 -13.286 212 2HB SER 9 HB1 SER 9 -1.116 0.546 -13.638 213 HG SER 9 HG SER 9 -0.243 2.327 -14.715 214 H ASP 10 H ASP 10 1.457 2.711 -11.388 215 HA ASP 10 HA ASP 10 3.390 0.886 -10.572 216 1HB ASP 10 HB2 ASP 10 2.921 3.775 -10.055 217 2HB ASP 10 HB1 ASP 10 4.033 2.969 -8.948 218 H LEU 11 H LEU 11 0.702 2.169 -8.722 219 HA LEU 11 HA LEU 11 1.634 1.041 -6.200 220 1HB LEU 11 HB2 LEU 11 -0.019 3.027 -6.598 221 2HB LEU 11 HB1 LEU 11 -1.227 1.757 -6.784 222 HG LEU 11 HG LEU 11 -0.667 0.876 -4.550 223 1HD1 LEU 11 HD11 LEU 11 1.224 3.236 -4.451 224 2HD1 LEU 11 HD12 LEU 11 1.706 1.539 -4.470 225 3HD1 LEU 11 HD13 LEU 11 0.829 2.193 -3.089 226 1HD2 LEU 11 HD21 LEU 11 -2.377 2.412 -4.341 227 2HD2 LEU 11 HD22 LEU 11 -1.385 3.742 -4.934 228 3HD2 LEU 11 HD23 LEU 11 -1.157 3.137 -3.294 229 H THR 12 H THR 12 -1.134 0.241 -8.363 230 HA THR 12 HA THR 12 -1.817 -2.216 -7.176 231 HB THR 12 HB THR 12 -1.710 -1.598 -10.149 232 HG1 THR 12 HG1 THR 12 -3.011 -0.270 -8.595 233 1HG2 THR 12 HG21 THR 12 -2.657 -3.910 -8.565 234 2HG2 THR 12 HG22 THR 12 -2.155 -3.832 -10.253 235 3HG2 THR 12 HG23 THR 12 -3.781 -3.328 -9.792 236 H GLU 13 H GLU 13 0.559 -1.586 -9.755 237 HA GLU 13 HA GLU 13 1.635 -4.121 -10.123 238 1HB GLU 13 HB2 GLU 13 2.592 -1.362 -10.355 239 2HB GLU 13 HB1 GLU 13 3.890 -2.501 -10.012 240 1HG GLU 13 HG2 GLU 13 2.196 -3.727 -11.939 241 2HG GLU 13 HG1 GLU 13 2.501 -2.080 -12.490 242 H ALA 14 H ALA 14 2.553 -1.764 -7.602 243 HA ALA 14 HA ALA 14 4.363 -3.529 -6.241 244 1HB ALA 14 HB1 ALA 14 4.364 -1.084 -5.878 245 2HB ALA 14 HB2 ALA 14 4.132 -1.940 -4.354 246 3HB ALA 14 HB3 ALA 14 2.756 -1.188 -5.162 247 H LEU 15 H LEU 15 1.051 -2.508 -5.343 248 HA LEU 15 HA LEU 15 0.571 -4.311 -3.247 249 1HB LEU 15 HB2 LEU 15 -1.161 -3.042 -5.340 250 2HB LEU 15 HB1 LEU 15 -1.862 -4.304 -4.335 251 HG LEU 15 HG LEU 15 -0.472 -1.823 -3.278 252 1HD1 LEU 15 HD11 LEU 15 -2.633 -0.940 -2.814 253 2HD1 LEU 15 HD12 LEU 15 -3.421 -2.478 -3.163 254 3HD1 LEU 15 HD13 LEU 15 -2.724 -1.527 -4.475 255 1HD2 LEU 15 HD21 LEU 15 -2.105 -2.891 -1.308 256 2HD2 LEU 15 HD22 LEU 15 -0.355 -3.087 -1.399 257 3HD2 LEU 15 HD23 LEU 15 -1.415 -4.326 -2.070 258 H TYR 16 H TYR 16 0.112 -4.813 -6.715 259 HA TYR 16 HA TYR 16 -0.835 -7.473 -6.672 260 1HB TYR 16 HB2 TYR 16 -0.227 -5.645 -8.607 261 2HB TYR 16 HB1 TYR 16 1.094 -6.791 -8.804 262 HD1 TYR 16 HD1 TYR 16 -2.356 -6.112 -9.437 263 HD2 TYR 16 HD2 TYR 16 0.505 -9.279 -8.989 264 HE1 TYR 16 HE1 TYR 16 -3.894 -7.658 -10.610 265 HE2 TYR 16 HE2 TYR 16 -1.027 -10.833 -10.161 266 HH TYR 16 HH TYR 16 -4.320 -9.942 -10.929 267 H LEU 17 H LEU 17 2.483 -6.220 -6.558 268 HA LEU 17 HA LEU 17 3.568 -8.940 -6.635 269 1HB LEU 17 HB2 LEU 17 4.578 -6.601 -7.491 270 2HB LEU 17 HB1 LEU 17 5.305 -6.651 -5.881 271 HG LEU 17 HG LEU 17 5.494 -8.790 -8.026 272 1HD1 LEU 17 HD11 LEU 17 7.412 -6.792 -6.838 273 2HD1 LEU 17 HD12 LEU 17 7.068 -7.110 -8.538 274 3HD1 LEU 17 HD13 LEU 17 7.996 -8.274 -7.592 275 1HD2 LEU 17 HD21 LEU 17 6.388 -8.744 -5.133 276 2HD2 LEU 17 HD22 LEU 17 7.049 -9.869 -6.319 277 3HD2 LEU 17 HD23 LEU 17 5.332 -9.921 -5.914 278 H VAL 18 H VAL 18 3.623 -6.261 -4.204 279 HA VAL 18 HA VAL 18 4.974 -7.453 -2.134 280 HB VAL 18 HB VAL 18 2.803 -6.551 -0.713 281 1HG1 VAL 18 HG11 VAL 18 4.232 -4.236 -1.371 282 2HG1 VAL 18 HG12 VAL 18 5.393 -5.557 -1.517 283 3HG1 VAL 18 HG13 VAL 18 4.521 -5.310 -0.003 284 1HG2 VAL 18 HG21 VAL 18 1.584 -4.985 -1.840 285 2HG2 VAL 18 HG22 VAL 18 1.995 -6.001 -3.222 286 3HG2 VAL 18 HG23 VAL 18 2.927 -4.540 -2.892 287 H CYS 19 H CYS 19 1.589 -8.049 -2.928 288 HA CYS 19 HA CYS 19 1.706 -10.422 -1.134 289 1HB CYS 19 HB2 CYS 19 -0.758 -9.041 -2.183 290 2HB CYS 19 HB1 CYS 19 -0.672 -10.149 -0.843 291 H GLY 20 H GLY 20 0.019 -9.483 -4.170 292 1HA GLY 20 HA2 GLY 20 -0.524 -10.817 -6.035 293 2HA GLY 20 HA1 GLY 20 1.028 -11.611 -5.741 294 H GLU 21 H GLU 21 1.075 -13.495 -4.399 295 HA GLU 21 HA GLU 21 -1.357 -15.086 -4.468 296 1HB GLU 21 HB2 GLU 21 1.208 -15.623 -2.934 297 2HB GLU 21 HB1 GLU 21 -0.024 -16.806 -3.375 298 1HG GLU 21 HG2 GLU 21 0.673 -16.926 -5.552 299 2HG GLU 21 HG1 GLU 21 1.123 -15.222 -5.610 300 H ARG 22 H ARG 22 0.109 -12.860 -2.276 301 HA ARG 22 HA ARG 22 -1.426 -13.816 0.032 302 1HB ARG 22 HB2 ARG 22 0.319 -11.369 -0.211 303 2HB ARG 22 HB1 ARG 22 -0.333 -12.031 1.282 304 1HG ARG 22 HG2 ARG 22 1.349 -13.730 -0.547 305 2HG ARG 22 HG1 ARG 22 2.107 -12.640 0.614 306 1HD ARG 22 HD2 ARG 22 1.926 -14.592 1.872 307 2HD ARG 22 HD1 ARG 22 0.436 -13.757 2.314 308 HE ARG 22 HE ARG 22 -0.080 -15.382 0.027 309 1HH1 ARG 22 HH21 ARG 22 1.710 -16.940 2.112 310 2HH1 ARG 22 HH22 ARG 22 0.474 -17.854 2.909 311 1HH2 ARG 22 HH11 ARG 22 -2.131 -15.983 1.597 312 2HH2 ARG 22 HH12 ARG 22 -1.698 -17.314 2.618 313 H GLY 23 H GLY 23 -2.534 -12.567 -2.556 314 1HA GLY 23 HA2 GLY 23 -4.402 -11.289 -3.112 315 2HA GLY 23 HA1 GLY 23 -4.870 -11.451 -1.425 316 H PHE 24 H PHE 24 -5.553 -9.203 -2.618 317 HA PHE 24 HA PHE 24 -4.617 -7.107 -1.016 318 1HB PHE 24 HB2 PHE 24 -2.959 -5.979 -2.178 319 2HB PHE 24 HB1 PHE 24 -2.538 -7.624 -2.634 320 HD1 PHE 24 HD1 PHE 24 -4.293 -4.545 -3.737 321 HD2 PHE 24 HD2 PHE 24 -2.768 -8.388 -4.915 322 HE1 PHE 24 HE1 PHE 24 -4.668 -3.963 -6.117 323 HE2 PHE 24 HE2 PHE 24 -3.143 -7.803 -7.298 324 HZ PHE 24 HZ PHE 24 -4.096 -5.591 -7.899 325 H PHE 25 H PHE 25 -5.860 -5.126 -1.583 326 HA PHE 25 HA PHE 25 -7.449 -5.374 -4.061 327 1HB PHE 25 HB2 PHE 25 -9.584 -5.242 -3.007 328 2HB PHE 25 HB1 PHE 25 -8.701 -6.539 -2.210 329 HD1 PHE 25 HD1 PHE 25 -10.631 -3.638 -1.705 330 HD2 PHE 25 HD2 PHE 25 -7.279 -5.781 -0.084 331 HE1 PHE 25 HE1 PHE 25 -10.970 -2.508 0.475 332 HE2 PHE 25 HE2 PHE 25 -7.615 -4.648 2.099 333 HZ PHE 25 HZ PHE 25 -9.457 -3.010 2.378 334 H TYR 26 H TYR 26 -6.315 -3.530 -4.765 335 HA TYR 26 HA TYR 26 -6.077 -1.046 -3.426 336 1HB TYR 26 HB2 TYR 26 -4.915 -1.490 -5.518 337 2HB TYR 26 HB1 TYR 26 -6.430 -1.728 -6.364 338 HD1 TYR 26 HD1 TYR 26 -5.535 0.973 -3.935 339 HD2 TYR 26 HD2 TYR 26 -6.421 -0.069 -8.006 340 HE1 TYR 26 HE1 TYR 26 -5.567 3.376 -4.549 341 HE2 TYR 26 HE2 TYR 26 -6.438 2.331 -8.622 342 HH TYR 26 HH TYR 26 -6.170 4.412 -7.910 343 H THR 27 H THR 27 -7.525 0.881 -3.621 344 HA THR 27 HA THR 27 -10.299 0.108 -3.290 345 HB THR 27 HB THR 27 -10.361 2.835 -3.394 346 HG1 THR 27 HG1 THR 27 -8.273 3.228 -2.170 347 1HG2 THR 27 HG21 THR 27 -9.783 0.826 -1.256 348 2HG2 THR 27 HG22 THR 27 -11.177 1.888 -1.449 349 3HG2 THR 27 HG23 THR 27 -9.650 2.537 -0.852 350 H LYS 28 H LYS 28 -8.888 2.544 -5.541 351 HA LYS 28 HA LYS 28 -11.028 1.706 -7.462 352 1HB LYS 28 HB2 LYS 28 -10.351 4.326 -6.387 353 2HB LYS 28 HB1 LYS 28 -10.305 4.311 -8.151 354 1HG LYS 28 HG2 LYS 28 -12.561 4.736 -7.794 355 2HG LYS 28 HG1 LYS 28 -12.574 2.975 -7.880 356 1HD LYS 28 HD2 LYS 28 -13.686 3.177 -5.889 357 2HD LYS 28 HD1 LYS 28 -12.048 3.293 -5.246 358 1HE LYS 28 HE2 LYS 28 -12.141 5.699 -5.230 359 2HE LYS 28 HE1 LYS 28 -13.659 5.700 -6.128 360 1HZ LYS 28 HZ1 LYS 28 -14.111 4.113 -3.931 361 2HZ LYS 28 HZ2 LYS 28 -14.678 5.696 -4.176 362 3HZ LYS 28 HZ3 LYS 28 -13.228 5.432 -3.331 363 HA PRO 29 HA PRO 29 -7.101 0.940 -9.624 364 1HB PRO 29 HB2 PRO 29 -8.087 -1.224 -11.001 365 2HB PRO 29 HB1 PRO 29 -7.388 -1.328 -9.376 366 1HG PRO 29 HG2 PRO 29 -10.257 -1.447 -10.199 367 2HG PRO 29 HG1 PRO 29 -9.462 -2.170 -8.790 368 1HD PRO 29 HD2 PRO 29 -11.024 0.180 -8.763 369 2HD PRO 29 HD1 PRO 29 -9.918 -0.345 -7.474 370 H THR 30 H THR 30 -7.069 2.650 -11.091 371 HA THR 30 HA THR 30 -9.070 3.477 -12.858 372 HB THR 30 HB THR 30 -6.246 3.482 -13.850 373 HG1 THR 30 HG1 THR 30 -7.202 4.655 -11.474 374 1HG2 THR 30 HG21 THR 30 -8.593 4.827 -14.476 375 2HG2 THR 30 HG22 THR 30 -6.969 5.305 -14.968 376 3HG2 THR 30 HG23 THR 30 -7.690 6.001 -13.517 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -6.522 7.616 0.861 2 2H GLY 1 HT2 GLY 1 -7.663 6.969 -0.219 3 3H GLY 1 HT3 GLY 1 -7.607 8.644 0.057 4 1HA GLY 1 HA1 GLY 1 -6.203 7.273 -1.875 5 2HA GLY 1 HA2 GLY 1 -6.131 9.032 -1.558 6 H ILE 2 H ILE 2 -5.529 5.551 -0.533 7 HA ILE 2 HA ILE 2 -2.923 5.541 0.328 8 HB ILE 2 HB ILE 2 -4.689 3.566 -0.452 9 1HG1 ILE 2 HG12 ILE 2 -1.971 2.584 -0.010 10 2HG1 ILE 2 HG11 ILE 2 -2.483 3.815 1.151 11 1HG2 ILE 2 HG21 ILE 2 -2.202 3.150 -2.118 12 2HG2 ILE 2 HG22 ILE 2 -3.719 3.740 -2.797 13 3HG2 ILE 2 HG23 ILE 2 -3.645 2.140 -2.061 14 1HD1 ILE 2 HD11 ILE 2 -3.356 1.904 2.143 15 2HD1 ILE 2 HD12 ILE 2 -3.678 1.125 0.593 16 3HD1 ILE 2 HD13 ILE 2 -4.726 2.426 1.161 17 H VAL 3 H VAL 3 -3.953 5.669 -3.070 18 HA VAL 3 HA VAL 3 -1.533 5.422 -4.407 19 HB VAL 3 HB VAL 3 -3.806 7.363 -4.895 20 1HG1 VAL 3 HG11 VAL 3 -2.279 8.433 -6.213 21 2HG1 VAL 3 HG12 VAL 3 -2.583 7.085 -7.310 22 3HG1 VAL 3 HG13 VAL 3 -1.183 7.050 -6.238 23 1HG2 VAL 3 HG21 VAL 3 -4.303 4.939 -5.080 24 2HG2 VAL 3 HG22 VAL 3 -2.981 4.768 -6.236 25 3HG2 VAL 3 HG23 VAL 3 -4.394 5.741 -6.649 26 H GLU 4 H GLU 4 -2.802 8.688 -3.727 27 HA GLU 4 HA GLU 4 -0.281 9.936 -3.920 28 1HB GLU 4 HB2 GLU 4 -1.378 11.882 -3.262 29 2HB GLU 4 HB1 GLU 4 -2.721 10.916 -3.851 30 1HG GLU 4 HG2 GLU 4 -3.138 10.155 -1.501 31 2HG GLU 4 HG1 GLU 4 -1.874 11.261 -0.960 32 H GLN 5 H GLN 5 -1.966 8.556 -1.127 33 HA GLN 5 HA GLN 5 -0.342 9.473 0.961 34 1HB GLN 5 HB2 GLN 5 -2.370 7.743 0.889 35 2HB GLN 5 HB1 GLN 5 -1.053 6.568 0.926 36 1HG GLN 5 HG2 GLN 5 -0.152 7.580 2.956 37 2HG GLN 5 HG1 GLN 5 -1.374 8.850 2.896 38 1HE2 GLN 5 HE21 GLN 5 -2.829 8.406 4.562 39 2HE2 GLN 5 HE22 GLN 5 -3.514 6.884 4.870 40 H CYS 6 H CYS 6 0.279 6.847 -1.345 41 HA CYS 6 HA CYS 6 3.020 6.586 -0.202 42 1HB CYS 6 HB2 CYS 6 1.433 4.777 -2.044 43 2HB CYS 6 HB1 CYS 6 3.127 4.518 -1.632 44 H CYS 7 H CYS 7 1.301 7.973 -2.806 45 HA CYS 7 HA CYS 7 3.659 7.872 -4.590 46 1HB CYS 7 HB2 CYS 7 1.412 7.572 -5.604 47 2HB CYS 7 HB1 CYS 7 0.952 9.171 -5.041 48 H THR 8 H THR 8 1.499 10.688 -4.112 49 HA THR 8 HA THR 8 3.496 12.648 -4.295 50 HB THR 8 HB THR 8 2.017 14.140 -3.064 51 HG1 THR 8 HG1 THR 8 0.504 11.879 -2.312 52 1HG2 THR 8 HG21 THR 8 0.081 12.239 -4.341 53 2HG2 THR 8 HG22 THR 8 1.310 13.019 -5.336 54 3HG2 THR 8 HG23 THR 8 0.145 13.997 -4.443 55 H SER 9 H SER 9 2.553 10.584 -1.674 56 HA SER 9 HA SER 9 4.865 11.535 -0.040 57 1HB SER 9 HB2 SER 9 2.151 10.500 0.660 58 2HB SER 9 HB1 SER 9 3.486 9.963 1.674 59 HG SER 9 HG SER 9 2.246 12.153 1.974 60 H ILE 10 H ILE 10 5.375 9.245 1.415 61 HA ILE 10 HA ILE 10 5.476 7.057 -0.604 62 HB ILE 10 HB ILE 10 7.866 8.162 0.903 63 1HG1 ILE 10 HG12 ILE 10 8.777 8.280 -1.459 64 2HG1 ILE 10 HG11 ILE 10 7.149 7.929 -2.034 65 1HG2 ILE 10 HG21 ILE 10 8.536 6.000 0.894 66 2HG2 ILE 10 HG22 ILE 10 8.739 6.216 -0.843 67 3HG2 ILE 10 HG23 ILE 10 7.251 5.520 -0.209 68 1HD1 ILE 10 HD11 ILE 10 6.567 10.083 -1.795 69 2HD1 ILE 10 HD12 ILE 10 8.228 10.451 -1.332 70 3HD1 ILE 10 HD13 ILE 10 7.036 10.050 -0.095 71 H CYS 11 H CYS 11 5.583 4.942 0.327 72 HA CYS 11 HA CYS 11 5.489 4.879 3.316 73 1HB CYS 11 HB2 CYS 11 3.639 3.224 3.208 74 2HB CYS 11 HB1 CYS 11 3.166 4.791 2.561 75 H SER 12 H SER 12 5.291 2.263 3.836 76 HA SER 12 HA SER 12 7.555 1.024 2.308 77 1HB SER 12 HB2 SER 12 8.462 0.209 4.289 78 2HB SER 12 HB1 SER 12 7.828 1.764 4.821 79 HG SER 12 HG SER 12 6.060 0.734 5.670 80 H LEU 13 H LEU 13 7.389 -1.160 1.813 81 HA LEU 13 HA LEU 13 5.014 -2.298 1.071 82 1HB LEU 13 HB2 LEU 13 6.145 -4.311 0.825 83 2HB LEU 13 HB1 LEU 13 7.497 -3.188 0.930 84 HG LEU 13 HG LEU 13 6.367 -4.715 3.293 85 1HD1 LEU 13 HD11 LEU 13 8.457 -6.054 3.099 86 2HD1 LEU 13 HD12 LEU 13 8.815 -5.228 1.583 87 3HD1 LEU 13 HD13 LEU 13 7.390 -6.260 1.710 88 1HD2 LEU 13 HD21 LEU 13 9.092 -3.464 3.161 89 2HD2 LEU 13 HD22 LEU 13 8.060 -3.743 4.563 90 3HD2 LEU 13 HD23 LEU 13 7.706 -2.420 3.460 91 H TYR 14 H TYR 14 6.155 -2.011 4.388 92 HA TYR 14 HA TYR 14 4.496 -3.996 5.583 93 1HB TYR 14 HB2 TYR 14 6.281 -2.704 6.790 94 2HB TYR 14 HB1 TYR 14 5.233 -1.287 6.741 95 HD1 TYR 14 HD1 TYR 14 4.408 -4.899 7.350 96 HD2 TYR 14 HD2 TYR 14 4.516 -0.907 8.942 97 HE1 TYR 14 HE1 TYR 14 3.235 -5.679 9.396 98 HE2 TYR 14 HE2 TYR 14 3.345 -1.688 10.983 99 HH TYR 14 HH TYR 14 2.868 -3.632 12.195 100 H GLN 15 H GLN 15 3.910 -0.520 5.024 101 HA GLN 15 HA GLN 15 1.165 -0.570 5.863 102 1HB GLN 15 HB2 GLN 15 2.467 1.291 3.849 103 2HB GLN 15 HB1 GLN 15 1.029 1.621 4.817 104 1HG GLN 15 HG2 GLN 15 2.727 0.990 6.801 105 2HG GLN 15 HG1 GLN 15 3.892 1.602 5.627 106 1HE2 GLN 15 HE21 GLN 15 1.521 3.394 4.579 107 2HE2 GLN 15 HE22 GLN 15 1.525 4.694 5.668 108 H LEU 16 H LEU 16 2.678 -0.662 2.627 109 HA LEU 16 HA LEU 16 0.334 -0.998 1.088 110 1HB LEU 16 HB2 LEU 16 3.159 -1.291 0.713 111 2HB LEU 16 HB1 LEU 16 2.343 -2.678 -0.007 112 HG LEU 16 HG LEU 16 0.983 -1.287 -1.389 113 1HD1 LEU 16 HD11 LEU 16 1.745 1.362 -0.877 114 2HD1 LEU 16 HD12 LEU 16 1.488 0.660 0.720 115 3HD1 LEU 16 HD13 LEU 16 0.194 0.627 -0.477 116 1HD2 LEU 16 HD21 LEU 16 2.868 -1.188 -2.627 117 2HD2 LEU 16 HD22 LEU 16 3.865 -0.779 -1.231 118 3HD2 LEU 16 HD23 LEU 16 2.964 0.483 -2.071 119 H GLU 17 H GLU 17 2.255 -3.332 2.934 120 HA GLU 17 HA GLU 17 0.812 -5.677 2.083 121 1HB GLU 17 HB2 GLU 17 2.752 -6.350 3.125 122 2HB GLU 17 HB1 GLU 17 2.760 -4.973 4.222 123 1HG GLU 17 HG2 GLU 17 2.392 -7.020 5.499 124 2HG GLU 17 HG1 GLU 17 0.919 -6.050 5.523 125 H ASN 18 H ASN 18 0.256 -3.144 4.408 126 HA ASN 18 HA ASN 18 -1.870 -4.530 5.826 127 1HB ASN 18 HB2 ASN 18 -0.782 -1.724 5.768 128 2HB ASN 18 HB1 ASN 18 -2.299 -2.075 6.590 129 1HD2 ASN 18 HD21 ASN 18 0.656 -4.091 6.331 130 2HD2 ASN 18 HD22 ASN 18 0.916 -4.205 8.002 131 H TYR 19 H TYR 19 -1.559 -2.985 2.824 132 HA TYR 19 HA TYR 19 -4.459 -2.362 2.700 133 1HB TYR 19 HB2 TYR 19 -2.311 -1.738 0.658 134 2HB TYR 19 HB1 TYR 19 -3.946 -1.079 0.717 135 HD1 TYR 19 HD1 TYR 19 -1.013 0.252 0.922 136 HD2 TYR 19 HD2 TYR 19 -4.158 -0.669 3.701 137 HE1 TYR 19 HE1 TYR 19 -0.221 2.067 2.418 138 HE2 TYR 19 HE2 TYR 19 -3.371 1.150 5.194 139 HH TYR 19 HH TYR 19 -0.670 2.360 5.349 140 H CYS 20 H CYS 20 -2.542 -4.942 2.246 141 HA CYS 20 HA CYS 20 -3.201 -5.872 -0.389 142 1HB CYS 20 HB2 CYS 20 -1.996 -6.937 2.070 143 2HB CYS 20 HB1 CYS 20 -2.743 -8.141 1.053 144 H ASN 21 H ASN 21 -4.243 -8.399 -0.052 145 HA ASN 21 HA ASN 21 -6.897 -7.966 1.243 146 1HB ASN 21 HB2 ASN 21 -6.482 -7.922 -1.498 147 2HB ASN 21 HB1 ASN 21 -6.997 -9.582 -1.197 148 1HD2 ASN 21 HD21 ASN 21 -8.933 -9.537 0.619 149 2HD2 ASN 21 HD22 ASN 21 -10.184 -8.456 0.237 150 1H PHE 1 HT1 PHE 1 10.864 -2.247 1.914 151 2H PHE 1 HT2 PHE 1 10.260 -2.785 0.423 152 3H PHE 1 HT3 PHE 1 9.219 -2.060 1.552 153 HA PHE 1 HA PHE 1 11.424 -0.739 0.066 154 1HB PHE 1 HB2 PHE 1 8.557 0.136 0.054 155 2HB PHE 1 HB1 PHE 1 9.783 0.300 -1.202 156 HD1 PHE 1 HD1 PHE 1 6.820 -1.316 -0.496 157 HD2 PHE 1 HD2 PHE 1 10.794 -2.188 -1.882 158 HE1 PHE 1 HE1 PHE 1 5.992 -3.389 -1.576 159 HE2 PHE 1 HE2 PHE 1 9.965 -4.260 -2.962 160 HZ PHE 1 HZ PHE 1 7.563 -4.861 -2.809 161 H VAL 2 H VAL 2 12.261 1.025 1.095 162 HA VAL 2 HA VAL 2 10.950 1.897 3.620 163 HB VAL 2 HB VAL 2 13.327 1.307 3.778 164 1HG1 VAL 2 HG11 VAL 2 14.301 3.611 2.244 165 2HG1 VAL 2 HG12 VAL 2 13.501 2.401 1.243 166 3HG1 VAL 2 HG13 VAL 2 14.871 1.943 2.250 167 1HG2 VAL 2 HG21 VAL 2 12.548 3.076 5.256 168 2HG2 VAL 2 HG22 VAL 2 12.751 4.279 3.983 169 3HG2 VAL 2 HG23 VAL 2 14.164 3.494 4.687 170 H ASN 3 H ASN 3 11.984 3.101 0.465 171 HA ASN 3 HA ASN 3 10.302 5.504 0.937 172 1HB ASN 3 HB2 ASN 3 13.213 5.446 0.459 173 2HB ASN 3 HB1 ASN 3 12.322 6.539 -0.600 174 1HD2 ASN 3 HD21 ASN 3 13.484 8.293 0.704 175 2HD2 ASN 3 HD22 ASN 3 12.801 8.772 2.182 176 H GLN 4 H GLN 4 8.942 3.962 -0.414 177 HA GLN 4 HA GLN 4 9.733 4.087 -3.290 178 1HB GLN 4 HB2 GLN 4 9.187 1.850 -2.007 179 2HB GLN 4 HB1 GLN 4 7.516 2.339 -2.286 180 1HG GLN 4 HG2 GLN 4 8.329 0.910 -4.125 181 2HG GLN 4 HG1 GLN 4 7.976 2.538 -4.703 182 1HE2 GLN 4 HE21 GLN 4 9.595 3.411 -5.978 183 2HE2 GLN 4 HE22 GLN 4 11.239 2.998 -5.889 184 H HIS 5 H HIS 5 8.571 5.340 -4.608 185 HA HIS 5 HA HIS 5 6.114 6.657 -3.579 186 1HB HIS 5 HB2 HIS 5 7.653 7.186 -6.147 187 2HB HIS 5 HB1 HIS 5 6.446 8.233 -5.409 188 HD2 HIS 5 HD2 HIS 5 9.745 6.625 -3.854 189 HE1 HIS 5 HE1 HIS 5 9.609 10.756 -2.959 190 HE2 HIS 5 HE2 HIS 5 10.937 8.598 -2.650 191 H LEU 6 H LEU 6 4.339 5.350 -3.975 192 HA LEU 6 HA LEU 6 4.178 4.019 -6.647 193 1HB LEU 6 HB2 LEU 6 3.151 3.285 -3.946 194 2HB LEU 6 HB1 LEU 6 2.319 2.723 -5.387 195 HG LEU 6 HG LEU 6 4.060 1.337 -6.018 196 1HD1 LEU 6 HD11 LEU 6 6.436 1.738 -5.353 197 2HD1 LEU 6 HD12 LEU 6 5.921 3.202 -4.512 198 3HD1 LEU 6 HD13 LEU 6 5.749 3.082 -6.264 199 1HD2 LEU 6 HD21 LEU 6 4.295 1.692 -3.026 200 2HD2 LEU 6 HD22 LEU 6 5.187 0.444 -3.894 201 3HD2 LEU 6 HD23 LEU 6 3.423 0.438 -3.906 202 H CYS 7 H CYS 7 2.662 4.669 -8.023 203 HA CYS 7 HA CYS 7 0.247 5.986 -6.906 204 1HB CYS 7 HB2 CYS 7 1.102 7.021 -9.528 205 2HB CYS 7 HB1 CYS 7 0.460 7.890 -8.142 206 H GLY 8 H GLY 8 -1.586 5.119 -7.771 207 1HA GLY 8 HA2 GLY 8 -2.853 3.555 -8.992 208 2HA GLY 8 HA1 GLY 8 -2.171 4.415 -10.369 209 H SER 9 H SER 9 -1.216 3.069 -11.790 210 HA SER 9 HA SER 9 -0.793 0.363 -11.580 211 1HB SER 9 HB2 SER 9 1.373 1.030 -13.102 212 2HB SER 9 HB1 SER 9 -0.278 0.949 -13.708 213 HG SER 9 HG SER 9 1.312 3.050 -13.587 214 H ASP 10 H ASP 10 1.993 2.615 -11.171 215 HA ASP 10 HA ASP 10 3.818 0.779 -10.140 216 1HB ASP 10 HB2 ASP 10 3.384 3.700 -9.748 217 2HB ASP 10 HB1 ASP 10 4.408 2.897 -8.557 218 H LEU 11 H LEU 11 1.047 2.227 -8.557 219 HA LEU 11 HA LEU 11 1.701 1.157 -5.924 220 1HB LEU 11 HB2 LEU 11 0.192 3.172 -6.425 221 2HB LEU 11 HB1 LEU 11 -1.025 2.001 -6.924 222 HG LEU 11 HG LEU 11 -0.928 0.946 -4.693 223 1HD1 LEU 11 HD11 LEU 11 1.394 1.457 -4.122 224 2HD1 LEU 11 HD12 LEU 11 0.323 2.133 -2.896 225 3HD1 LEU 11 HD13 LEU 11 1.034 3.184 -4.122 226 1HD2 LEU 11 HD21 LEU 11 -2.524 2.420 -4.145 227 2HD2 LEU 11 HD22 LEU 11 -1.881 3.548 -5.338 228 3HD2 LEU 11 HD23 LEU 11 -1.289 3.587 -3.678 229 H THR 12 H THR 12 -0.550 0.298 -8.552 230 HA THR 12 HA THR 12 -1.571 -2.079 -7.354 231 HB THR 12 HB THR 12 -1.062 -1.414 -10.270 232 HG1 THR 12 HG1 THR 12 -3.308 -1.021 -10.220 233 1HG2 THR 12 HG21 THR 12 -1.259 -3.723 -10.359 234 2HG2 THR 12 HG22 THR 12 -2.956 -3.249 -10.454 235 3HG2 THR 12 HG23 THR 12 -2.277 -3.794 -8.920 236 H GLU 13 H GLU 13 1.233 -1.511 -9.474 237 HA GLU 13 HA GLU 13 2.219 -4.089 -9.758 238 1HB GLU 13 HB2 GLU 13 3.291 -1.408 -9.836 239 2HB GLU 13 HB1 GLU 13 4.474 -2.508 -9.134 240 1HG GLU 13 HG2 GLU 13 3.761 -4.079 -11.127 241 2HG GLU 13 HG1 GLU 13 3.220 -2.568 -11.862 242 H ALA 14 H ALA 14 3.032 -1.898 -7.031 243 HA ALA 14 HA ALA 14 4.327 -3.975 -5.508 244 1HB ALA 14 HB1 ALA 14 4.070 -2.362 -3.597 245 2HB ALA 14 HB2 ALA 14 3.108 -1.329 -4.655 246 3HB ALA 14 HB3 ALA 14 4.804 -1.634 -5.027 247 H LEU 15 H LEU 15 1.204 -2.334 -4.962 248 HA LEU 15 HA LEU 15 0.097 -3.967 -2.990 249 1HB LEU 15 HB2 LEU 15 -0.874 -2.210 -5.104 250 2HB LEU 15 HB1 LEU 15 -1.971 -3.554 -4.880 251 HG LEU 15 HG LEU 15 -1.181 -1.393 -2.932 252 1HD1 LEU 15 HD11 LEU 15 -3.216 -1.106 -4.276 253 2HD1 LEU 15 HD12 LEU 15 -3.631 -1.328 -2.577 254 3HD1 LEU 15 HD13 LEU 15 -3.824 -2.663 -3.711 255 1HD2 LEU 15 HD21 LEU 15 -1.736 -4.218 -2.272 256 2HD2 LEU 15 HD22 LEU 15 -2.746 -3.055 -1.412 257 3HD2 LEU 15 HD23 LEU 15 -0.990 -2.956 -1.291 258 H TYR 16 H TYR 16 0.172 -4.533 -6.482 259 HA TYR 16 HA TYR 16 -1.168 -7.077 -6.439 260 1HB TYR 16 HB2 TYR 16 -0.587 -5.442 -8.416 261 2HB TYR 16 HB1 TYR 16 0.926 -6.339 -8.474 262 HD1 TYR 16 HD1 TYR 16 -2.277 -6.155 -9.795 263 HD2 TYR 16 HD2 TYR 16 0.537 -9.018 -8.270 264 HE1 TYR 16 HE1 TYR 16 -3.422 -7.950 -11.067 265 HE2 TYR 16 HE2 TYR 16 -0.605 -10.817 -9.543 266 HH TYR 16 HH TYR 16 -3.669 -10.399 -10.977 267 H LEU 17 H LEU 17 2.229 -6.081 -6.185 268 HA LEU 17 HA LEU 17 3.257 -8.793 -6.194 269 1HB LEU 17 HB2 LEU 17 4.450 -6.639 -6.888 270 2HB LEU 17 HB1 LEU 17 4.662 -6.339 -5.164 271 HG LEU 17 HG LEU 17 6.574 -7.531 -6.235 272 1HD1 LEU 17 HD11 LEU 17 5.639 -7.842 -3.762 273 2HD1 LEU 17 HD12 LEU 17 6.997 -8.803 -4.347 274 3HD1 LEU 17 HD13 LEU 17 5.372 -9.489 -4.331 275 1HD2 LEU 17 HD21 LEU 17 5.190 -10.111 -6.251 276 2HD2 LEU 17 HD22 LEU 17 6.314 -9.437 -7.429 277 3HD2 LEU 17 HD23 LEU 17 4.608 -8.993 -7.485 278 H VAL 18 H VAL 18 2.963 -6.274 -3.640 279 HA VAL 18 HA VAL 18 3.937 -7.730 -1.488 280 HB VAL 18 HB VAL 18 1.782 -6.571 -0.275 281 1HG1 VAL 18 HG11 VAL 18 3.279 -4.707 0.185 282 2HG1 VAL 18 HG12 VAL 18 4.272 -5.125 -1.212 283 3HG1 VAL 18 HG13 VAL 18 4.203 -6.209 0.178 284 1HG2 VAL 18 HG21 VAL 18 0.972 -4.736 -1.426 285 2HG2 VAL 18 HG22 VAL 18 1.234 -5.842 -2.775 286 3HG2 VAL 18 HG23 VAL 18 2.422 -4.588 -2.419 287 H CYS 19 H CYS 19 0.608 -7.835 -2.715 288 HA CYS 19 HA CYS 19 0.077 -10.176 -0.967 289 1HB CYS 19 HB2 CYS 19 -1.969 -9.566 -2.987 290 2HB CYS 19 HB1 CYS 19 -2.126 -9.747 -1.250 291 H GLY 20 H GLY 20 -0.686 -9.629 -4.397 292 1HA GLY 20 HA2 GLY 20 0.162 -10.947 -6.247 293 2HA GLY 20 HA1 GLY 20 0.694 -12.172 -5.090 294 H GLU 21 H GLU 21 -0.617 -13.934 -4.872 295 HA GLU 21 HA GLU 21 -3.145 -14.045 -6.307 296 1HB GLU 21 HB2 GLU 21 -1.815 -15.956 -4.361 297 2HB GLU 21 HB1 GLU 21 -3.337 -16.304 -5.181 298 1HG GLU 21 HG2 GLU 21 -1.521 -15.394 -7.166 299 2HG GLU 21 HG1 GLU 21 -0.663 -16.586 -6.191 300 H ARG 22 H ARG 22 -2.103 -13.371 -3.048 301 HA ARG 22 HA ARG 22 -4.530 -13.789 -1.654 302 1HB ARG 22 HB2 ARG 22 -2.039 -12.240 -1.251 303 2HB ARG 22 HB1 ARG 22 -3.439 -11.710 -0.319 304 1HG ARG 22 HG2 ARG 22 -1.983 -13.462 0.803 305 2HG ARG 22 HG1 ARG 22 -3.695 -13.854 0.694 306 1HD ARG 22 HD2 ARG 22 -2.999 -15.819 -0.191 307 2HD ARG 22 HD1 ARG 22 -2.701 -14.902 -1.660 308 HE ARG 22 HE ARG 22 -0.359 -14.529 -0.357 309 1HH1 ARG 22 HH21 ARG 22 -1.253 -17.016 1.237 310 2HH1 ARG 22 HH22 ARG 22 -0.412 -18.260 0.374 311 1HH2 ARG 22 HH11 ARG 22 0.275 -16.260 -2.372 312 2HH2 ARG 22 HH12 ARG 22 0.456 -17.831 -1.667 313 H GLY 23 H GLY 23 -3.780 -11.529 -4.081 314 1HA GLY 23 HA2 GLY 23 -5.117 -9.831 -5.005 315 2HA GLY 23 HA1 GLY 23 -6.397 -10.318 -3.893 316 H PHE 24 H PHE 24 -5.491 -7.606 -4.564 317 HA PHE 24 HA PHE 24 -4.573 -6.695 -1.842 318 1HB PHE 24 HB2 PHE 24 -3.900 -4.624 -3.180 319 2HB PHE 24 HB1 PHE 24 -2.900 -6.044 -3.414 320 HD1 PHE 24 HD1 PHE 24 -5.156 -3.666 -4.958 321 HD2 PHE 24 HD2 PHE 24 -3.270 -7.496 -5.441 322 HE1 PHE 24 HE1 PHE 24 -5.650 -3.600 -7.386 323 HE2 PHE 24 HE2 PHE 24 -3.766 -7.433 -7.870 324 HZ PHE 24 HZ PHE 24 -4.955 -5.484 -8.844 325 H PHE 25 H PHE 25 -5.189 -4.001 -2.229 326 HA PHE 25 HA PHE 25 -8.162 -4.080 -2.417 327 1HB PHE 25 HB2 PHE 25 -6.254 -2.797 -0.586 328 2HB PHE 25 HB1 PHE 25 -7.545 -1.737 -1.151 329 HD1 PHE 25 HD1 PHE 25 -7.008 -5.209 0.094 330 HD2 PHE 25 HD2 PHE 25 -9.614 -1.808 -0.095 331 HE1 PHE 25 HE1 PHE 25 -8.571 -6.338 1.622 332 HE2 PHE 25 HE2 PHE 25 -11.187 -2.924 1.435 333 HZ PHE 25 HZ PHE 25 -10.685 -5.204 2.309 334 H TYR 26 H TYR 26 -5.927 -1.336 -2.437 335 HA TYR 26 HA TYR 26 -5.688 0.407 -3.986 336 1HB TYR 26 HB2 TYR 26 -5.150 -1.563 -5.517 337 2HB TYR 26 HB1 TYR 26 -6.842 -1.533 -6.011 338 HD1 TYR 26 HD1 TYR 26 -3.675 0.382 -5.972 339 HD2 TYR 26 HD2 TYR 26 -7.706 0.197 -7.444 340 HE1 TYR 26 HE1 TYR 26 -3.170 2.211 -7.571 341 HE2 TYR 26 HE2 TYR 26 -7.203 2.024 -9.044 342 HH TYR 26 HH TYR 26 -5.114 4.085 -8.887 343 H THR 27 H THR 27 -7.829 0.584 -2.395 344 HA THR 27 HA THR 27 -10.345 0.705 -3.857 345 HB THR 27 HB THR 27 -10.260 0.231 -1.426 346 HG1 THR 27 HG1 THR 27 -12.158 1.097 -2.065 347 1HG2 THR 27 HG21 THR 27 -9.797 3.046 -0.695 348 2HG2 THR 27 HG22 THR 27 -8.379 2.224 -1.345 349 3HG2 THR 27 HG23 THR 27 -9.205 1.571 0.069 350 H LYS 28 H LYS 28 -10.066 2.200 -5.560 351 HA LYS 28 HA LYS 28 -9.811 5.041 -4.685 352 1HB LYS 28 HB2 LYS 28 -7.677 4.075 -5.743 353 2HB LYS 28 HB1 LYS 28 -8.592 4.003 -7.250 354 1HG LYS 28 HG2 LYS 28 -9.167 6.509 -6.682 355 2HG LYS 28 HG1 LYS 28 -7.718 6.407 -5.680 356 1HD LYS 28 HD2 LYS 28 -6.620 6.933 -7.602 357 2HD LYS 28 HD1 LYS 28 -6.852 5.229 -7.995 358 1HE LYS 28 HE2 LYS 28 -7.767 6.210 -9.885 359 2HE LYS 28 HE1 LYS 28 -9.203 6.093 -8.867 360 1HZ LYS 28 HZ1 LYS 28 -7.472 8.467 -9.274 361 2HZ LYS 28 HZ2 LYS 28 -8.670 8.378 -8.074 362 3HZ LYS 28 HZ3 LYS 28 -9.100 8.290 -9.715 363 HA PRO 29 HA PRO 29 -13.403 4.184 -7.549 364 1HB PRO 29 HB2 PRO 29 -15.391 4.667 -5.714 365 2HB PRO 29 HB1 PRO 29 -14.698 3.061 -6.005 366 1HG PRO 29 HG2 PRO 29 -14.259 4.906 -3.702 367 2HG PRO 29 HG1 PRO 29 -14.141 3.140 -3.763 368 1HD PRO 29 HD2 PRO 29 -11.963 4.946 -3.802 369 2HD PRO 29 HD1 PRO 29 -11.892 3.216 -4.199 370 H THR 30 H THR 30 -15.489 5.859 -7.562 371 HA THR 30 HA THR 30 -14.568 8.584 -6.841 372 HB THR 30 HB THR 30 -15.693 8.353 -9.571 373 HG1 THR 30 HG1 THR 30 -14.124 7.219 -10.376 374 1HG2 THR 30 HG21 THR 30 -13.565 9.899 -9.838 375 2HG2 THR 30 HG22 THR 30 -13.649 9.957 -8.078 376 3HG2 THR 30 HG23 THR 30 -15.017 10.510 -9.046
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