NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
21162 | 2h67 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -10.595 4.272 4.308 2 2H GLY 1 HT2 GLY 1 -9.791 2.804 4.551 3 3H GLY 1 HT3 GLY 1 -9.991 3.406 2.984 4 1HA GLY 1 HA1 GLY 1 -8.497 5.203 3.348 5 2HA GLY 1 HA2 GLY 1 -8.470 4.891 5.058 6 H ILE 2 HN ILE 2 -7.986 2.455 2.571 7 HA ILE 2 HA ILE 2 -5.447 1.729 3.868 8 HB ILE 2 HB ILE 2 -6.682 0.684 1.293 9 1HG1 ILE 2 HG12 ILE 2 -8.304 0.393 3.074 10 2HG1 ILE 2 HG11 ILE 2 -7.509 -1.168 2.841 11 1HG2 ILE 2 HG21 ILE 2 -5.341 -1.361 1.967 12 2HG2 ILE 2 HG22 ILE 2 -4.546 -0.356 3.178 13 3HG2 ILE 2 HG23 ILE 2 -4.389 0.031 1.469 14 1HD1 ILE 2 HD11 ILE 2 -7.511 -0.867 5.155 15 2HD1 ILE 2 HD12 ILE 2 -7.087 0.832 5.049 16 3HD1 ILE 2 HD13 ILE 2 -5.878 -0.403 4.711 17 H VAL 3 HN VAL 3 -6.507 3.315 0.909 18 HA VAL 3 HA VAL 3 -3.758 3.538 -0.092 19 HB VAL 3 HB VAL 3 -6.321 3.550 -1.264 20 1HG1 VAL 3 HG11 VAL 3 -6.277 5.686 -2.568 21 2HG1 VAL 3 HG12 VAL 3 -5.114 6.311 -1.449 22 3HG1 VAL 3 HG13 VAL 3 -6.717 5.881 -0.895 23 1HG2 VAL 3 HG21 VAL 3 -5.108 3.731 -3.347 24 2HG2 VAL 3 HG22 VAL 3 -4.208 2.763 -2.223 25 3HG2 VAL 3 HG23 VAL 3 -3.719 4.417 -2.524 26 H GLU 4 HN GLU 4 -6.318 5.752 0.941 27 HA GLU 4 HA GLU 4 -5.208 8.224 0.754 28 1HB GLU 4 HB2 GLU 4 -6.565 7.132 3.244 29 2HB GLU 4 HB1 GLU 4 -6.384 8.849 2.853 30 1HG GLU 4 HG2 GLU 4 -7.526 7.517 0.562 31 2HG GLU 4 HG1 GLU 4 -8.422 7.040 2.012 32 H GLN 5 HN GLN 5 -4.208 5.780 3.108 33 HA GLN 5 HA GLN 5 -2.491 7.592 4.569 34 1HB GLN 5 HB2 GLN 5 -2.474 4.579 4.380 35 2HB GLN 5 HB1 GLN 5 -1.609 5.521 5.607 36 1HG GLN 5 HG2 GLN 5 -4.114 6.531 5.907 37 2HG GLN 5 HG1 GLN 5 -4.496 4.915 5.320 38 1HE2 GLN 5 HE21 GLN 5 -4.840 3.521 7.023 39 2HE2 GLN 5 HE22 GLN 5 -3.954 3.566 8.505 40 H CYS 6 HN CYS 6 -1.804 5.035 2.136 41 HA CYS 6 HA CYS 6 0.962 6.025 1.972 42 1HB CYS 6 HB2 CYS 6 -0.495 3.728 0.615 43 2HB CYS 6 HB1 CYS 6 1.206 4.098 0.308 44 H CYS 7 HN CYS 7 -1.984 6.482 0.363 45 HA CYS 7 HA CYS 7 -0.837 7.244 -2.164 46 1HB CYS 7 HB2 CYS 7 -3.081 6.417 -2.260 47 2HB CYS 7 HB1 CYS 7 -3.582 7.502 -0.960 48 H THR 8 HN THR 8 -2.873 9.286 -0.103 49 HA THR 8 HA THR 8 -1.788 11.699 -1.096 50 HB THR 8 HB THR 8 -2.727 12.728 1.008 51 HG1 THR 8 HG1 THR 8 -3.638 10.173 1.753 52 1HG2 THR 8 HG21 THR 8 -4.501 10.646 -0.296 53 2HG2 THR 8 HG22 THR 8 -4.158 12.247 -0.954 54 3HG2 THR 8 HG23 THR 8 -5.035 12.086 0.566 55 H SER 9 HN SER 9 -1.272 11.014 2.339 56 HA SER 9 HA SER 9 1.167 12.348 2.526 57 1HB SER 9 HB2 SER 9 0.724 9.810 4.112 58 2HB SER 9 HB1 SER 9 1.398 11.359 4.640 59 HG SER 9 HG SER 9 -0.757 11.029 5.383 60 H ILE 10 HN ILE 10 3.332 11.105 3.073 61 HA ILE 10 HA ILE 10 3.950 9.477 0.670 62 HB ILE 10 HB ILE 10 5.911 10.164 2.876 63 1HG1 ILE 10 HG12 ILE 10 4.864 12.297 2.444 64 2HG1 ILE 10 HG11 ILE 10 6.345 12.280 1.487 65 1HG2 ILE 10 HG21 ILE 10 6.167 9.905 -0.139 66 2HG2 ILE 10 HG22 ILE 10 6.588 8.661 1.029 67 3HG2 ILE 10 HG23 ILE 10 7.473 10.185 1.017 68 1HD1 ILE 10 HD11 ILE 10 4.690 11.234 -0.366 69 2HD1 ILE 10 HD12 ILE 10 4.909 12.953 -0.126 70 3HD1 ILE 10 HD13 ILE 10 3.525 12.154 0.581 71 H CYS 11 HN CYS 11 4.516 7.263 0.756 72 HA CYS 11 HA CYS 11 4.319 6.019 3.478 73 1HB CYS 11 HB2 CYS 11 2.617 5.606 1.285 74 2HB CYS 11 HB1 CYS 11 3.623 4.173 1.316 75 H SER 12 HN SER 12 5.631 4.239 3.910 76 HA SER 12 HA SER 12 7.993 3.973 2.097 77 1HB SER 12 HB2 SER 12 8.131 2.545 4.630 78 2HB SER 12 HB1 SER 12 9.205 3.794 3.979 79 HG SER 12 HG SER 12 8.017 5.325 4.947 80 H LEU 13 HN LEU 13 8.233 2.121 0.965 81 HA LEU 13 HA LEU 13 6.193 0.274 0.557 82 1HB LEU 13 HB2 LEU 13 9.188 0.108 0.272 83 2HB LEU 13 HB1 LEU 13 8.222 -1.349 -0.013 84 HG LEU 13 HG LEU 13 6.915 -0.279 -1.714 85 1HD1 LEU 13 HD11 LEU 13 8.368 2.254 -0.883 86 2HD1 LEU 13 HD12 LEU 13 6.629 1.938 -0.757 87 3HD1 LEU 13 HD13 LEU 13 7.381 2.104 -2.322 88 1HD2 LEU 13 HD21 LEU 13 9.129 -1.108 -2.418 89 2HD2 LEU 13 HD22 LEU 13 9.837 0.468 -2.060 90 3HD2 LEU 13 HD23 LEU 13 8.648 0.306 -3.354 91 H TYR 14 HN TYR 14 8.489 0.322 3.159 92 HA TYR 14 HA TYR 14 7.861 -2.351 4.089 93 1HB TYR 14 HB2 TYR 14 8.728 -0.795 6.334 94 2HB TYR 14 HB1 TYR 14 9.651 -1.967 5.396 95 HD1 TYR 14 HD1 TYR 14 9.325 1.473 6.287 96 HD2 TYR 14 HD2 TYR 14 10.764 -1.165 3.214 97 HE1 TYR 14 HE1 TYR 14 10.794 3.278 5.428 98 HE2 TYR 14 HE2 TYR 14 12.233 0.641 2.351 99 HH TYR 14 HH TYR 14 13.249 3.090 3.854 100 H GLN 15 HN GLN 15 6.588 0.894 4.652 101 HA GLN 15 HA GLN 15 4.770 -0.033 6.753 102 1HB GLN 15 HB2 GLN 15 4.902 2.579 5.189 103 2HB GLN 15 HB1 GLN 15 3.825 2.290 6.559 104 1HG GLN 15 HG2 GLN 15 6.858 2.149 6.651 105 2HG GLN 15 HG1 GLN 15 5.866 3.485 7.254 106 1HE2 GLN 15 HE21 GLN 15 3.845 2.325 8.638 107 2HE2 GLN 15 HE22 GLN 15 4.471 1.302 9.875 108 H LEU 16 HN LEU 16 4.823 0.262 3.310 109 HA LEU 16 HA LEU 16 1.950 0.191 2.954 110 1HB LEU 16 HB2 LEU 16 3.556 1.048 1.224 111 2HB LEU 16 HB1 LEU 16 4.170 -0.598 1.027 112 HG LEU 16 HG LEU 16 1.687 -1.223 0.590 113 1HD1 LEU 16 HD11 LEU 16 0.347 0.571 -0.354 114 2HD1 LEU 16 HD12 LEU 16 1.588 1.730 0.074 115 3HD1 LEU 16 HD13 LEU 16 0.706 0.850 1.319 116 1HD2 LEU 16 HD21 LEU 16 1.904 -0.681 -1.788 117 2HD2 LEU 16 HD22 LEU 16 3.400 -1.324 -1.121 118 3HD2 LEU 16 HD23 LEU 16 3.217 0.412 -1.370 119 H GLU 17 HN GLU 17 4.405 -2.123 3.718 120 HA GLU 17 HA GLU 17 3.127 -4.434 2.591 121 1HB GLU 17 HB2 GLU 17 5.572 -3.997 3.687 122 2HB GLU 17 HB1 GLU 17 4.773 -4.736 5.081 123 1HG GLU 17 HG2 GLU 17 3.998 -6.517 3.376 124 2HG GLU 17 HG1 GLU 17 5.298 -5.908 2.353 125 H ASN 18 HN ASN 18 2.387 -2.445 5.284 126 HA ASN 18 HA ASN 18 1.108 -4.509 6.867 127 1HB ASN 18 HB2 ASN 18 1.657 -1.631 7.098 128 2HB ASN 18 HB1 ASN 18 0.026 -2.020 7.645 129 1HD2 ASN 18 HD21 ASN 18 0.255 -4.464 8.833 130 2HD2 ASN 18 HD22 ASN 18 1.409 -4.383 10.113 131 H TYR 19 HN TYR 19 0.274 -3.448 3.906 132 HA TYR 19 HA TYR 19 -2.648 -3.300 4.484 133 1HB TYR 19 HB2 TYR 19 -1.023 -2.698 2.028 134 2HB TYR 19 HB1 TYR 19 -2.771 -2.579 2.070 135 HD1 TYR 19 HD1 TYR 19 -1.686 -0.171 1.236 136 HD2 TYR 19 HD2 TYR 19 -1.785 -1.635 5.275 137 HE1 TYR 19 HE1 TYR 19 -1.500 2.129 2.110 138 HE2 TYR 19 HE2 TYR 19 -1.550 0.624 6.132 139 HH TYR 19 HH TYR 19 -1.821 2.890 5.527 140 H CYS 20 HN CYS 20 -0.166 -5.352 3.293 141 HA CYS 20 HA CYS 20 -1.454 -6.982 1.493 142 1HB CYS 20 HB2 CYS 20 0.297 -8.083 3.672 143 2HB CYS 20 HB1 CYS 20 0.080 -8.712 2.028 144 H ASN 21 HN ASN 21 -2.100 -9.426 2.159 145 HA ASN 21 HA ASN 21 -4.580 -9.234 3.561 146 1HB ASN 21 HB2 ASN 21 -2.838 -11.671 3.011 147 2HB ASN 21 HB1 ASN 21 -4.527 -11.737 3.539 148 1HD2 ASN 21 HD21 ASN 21 -4.707 -12.929 1.364 149 2HD2 ASN 21 HD22 ASN 21 -4.981 -11.937 -0.023 150 1H PHE 1 HT1 PHE 1 14.035 4.520 -6.685 151 2H PHE 1 HT2 PHE 1 13.256 3.223 -7.489 152 3H PHE 1 HT3 PHE 1 14.027 2.955 -5.975 153 HA PHE 1 HA PHE 1 11.678 4.685 -6.481 154 1HB PHE 1 HB2 PHE 1 11.484 2.067 -6.545 155 2HB PHE 1 HB1 PHE 1 11.722 2.157 -4.795 156 HD1 PHE 1 HD1 PHE 1 9.290 2.149 -7.318 157 HD2 PHE 1 HD2 PHE 1 10.253 4.026 -3.586 158 HE1 PHE 1 HE1 PHE 1 6.902 2.754 -6.995 159 HE2 PHE 1 HE2 PHE 1 7.883 4.664 -3.278 160 HZ PHE 1 HZ PHE 1 6.205 4.014 -4.974 161 H VAL 2 HN VAL 2 11.104 5.964 -4.728 162 HA VAL 2 HA VAL 2 12.718 5.660 -2.212 163 HB VAL 2 HB VAL 2 13.142 7.984 -2.122 164 1HG1 VAL 2 HG11 VAL 2 14.446 6.745 -3.873 165 2HG1 VAL 2 HG12 VAL 2 14.284 8.471 -4.176 166 3HG1 VAL 2 HG13 VAL 2 13.293 7.328 -5.077 167 1HG2 VAL 2 HG21 VAL 2 12.095 9.469 -4.000 168 2HG2 VAL 2 HG22 VAL 2 11.094 9.032 -2.636 169 3HG2 VAL 2 HG23 VAL 2 10.919 8.168 -4.165 170 H ASN 3 HN ASN 3 11.508 7.755 -0.834 171 HA ASN 3 HA ASN 3 8.948 6.523 -0.242 172 1HB ASN 3 HB2 ASN 3 10.749 7.981 1.244 173 2HB ASN 3 HB1 ASN 3 9.538 9.218 0.925 174 1HD2 ASN 3 HD21 ASN 3 9.128 5.667 1.452 175 2HD2 ASN 3 HD22 ASN 3 8.143 5.919 2.830 176 H GLN 4 HN GLN 4 8.173 6.913 -2.534 177 HA GLN 4 HA GLN 4 7.332 9.731 -3.001 178 1HB GLN 4 HB2 GLN 4 7.072 9.191 -5.229 179 2HB GLN 4 HB1 GLN 4 8.366 8.084 -4.786 180 1HG GLN 4 HG2 GLN 4 7.152 6.346 -5.375 181 2HG GLN 4 HG1 GLN 4 5.853 6.742 -4.270 182 1HE2 GLN 4 HE21 GLN 4 6.880 6.778 -7.578 183 2HE2 GLN 4 HE22 GLN 4 5.448 7.508 -8.211 184 H ALA 5 HN ALA 5 4.930 9.830 -3.957 185 HA ALA 5 HA ALA 5 3.211 8.885 -1.811 186 1HB ALA 5 HB1 ALA 5 1.351 9.700 -3.382 187 2HB ALA 5 HB2 ALA 5 2.644 10.194 -4.472 188 3HB ALA 5 HB3 ALA 5 2.532 10.900 -2.862 189 H LEU 6 HN LEU 6 1.297 7.429 -2.219 190 HA LEU 6 HA LEU 6 1.863 5.393 -4.350 191 1HB LEU 6 HB2 LEU 6 1.717 5.116 -1.404 192 2HB LEU 6 HB1 LEU 6 0.758 3.936 -2.264 193 HG LEU 6 HG LEU 6 3.238 3.387 -1.715 194 1HD1 LEU 6 HD11 LEU 6 3.436 2.351 -4.052 195 2HD1 LEU 6 HD12 LEU 6 1.898 3.099 -4.366 196 3HD1 LEU 6 HD13 LEU 6 2.040 1.910 -3.072 197 1HD2 LEU 6 HD21 LEU 6 3.712 4.977 -4.254 198 2HD2 LEU 6 HD22 LEU 6 4.870 4.169 -3.230 199 3HD2 LEU 6 HD23 LEU 6 4.066 5.594 -2.630 200 H CYS 7 HN CYS 7 0.207 6.497 -5.597 201 HA CYS 7 HA CYS 7 -2.551 5.858 -4.578 202 1HB CYS 7 HB2 CYS 7 -1.790 8.049 -6.543 203 2HB CYS 7 HB1 CYS 7 -3.373 7.772 -5.797 204 H GLY 8 HN GLY 8 -4.128 5.515 -6.420 205 1HA GLY 8 HA2 GLY 8 -4.761 4.151 -8.213 206 2HA GLY 8 HA1 GLY 8 -3.450 4.961 -9.070 207 H SER 9 HN SER 9 -2.878 3.040 -10.203 208 HA SER 9 HA SER 9 -2.451 0.527 -9.078 209 1HB SER 9 HB2 SER 9 -0.493 0.731 -11.064 210 2HB SER 9 HB1 SER 9 -2.146 0.188 -11.289 211 HG SER 9 HG SER 9 -1.787 1.911 -12.660 212 H ASP 10 HN ASP 10 -0.318 3.343 -9.114 213 HA ASP 10 HA ASP 10 2.127 2.214 -8.399 214 1HB ASP 10 HB2 ASP 10 0.865 4.705 -7.190 215 2HB ASP 10 HB1 ASP 10 2.572 4.301 -7.118 216 H LEU 11 HN LEU 11 -0.714 2.758 -6.367 217 HA LEU 11 HA LEU 11 0.412 1.869 -3.889 218 1HB LEU 11 HB2 LEU 11 -1.659 3.206 -4.200 219 2HB LEU 11 HB1 LEU 11 -2.445 1.786 -4.833 220 HG LEU 11 HG LEU 11 -3.125 1.456 -2.699 221 1HD1 LEU 11 HD11 LEU 11 -1.601 -0.350 -2.898 222 2HD1 LEU 11 HD12 LEU 11 -1.631 0.258 -1.259 223 3HD1 LEU 11 HD13 LEU 11 -0.270 0.623 -2.289 224 1HD2 LEU 11 HD21 LEU 11 -0.729 2.825 -1.520 225 2HD2 LEU 11 HD22 LEU 11 -2.313 2.593 -0.821 226 3HD2 LEU 11 HD23 LEU 11 -2.087 3.738 -2.115 227 H VAL 12 HN VAL 12 -2.066 0.175 -5.733 228 HA VAL 12 HA VAL 12 -1.650 -2.367 -4.678 229 HB VAL 12 HB VAL 12 -2.766 -3.248 -6.623 230 1HG1 VAL 12 HG11 VAL 12 -4.006 -1.599 -5.073 231 2HG1 VAL 12 HG12 VAL 12 -4.721 -1.923 -6.648 232 3HG1 VAL 12 HG13 VAL 12 -3.841 -0.425 -6.381 233 1HG2 VAL 12 HG21 VAL 12 -3.077 -1.702 -8.627 234 2HG2 VAL 12 HG22 VAL 12 -1.466 -2.357 -8.425 235 3HG2 VAL 12 HG23 VAL 12 -1.834 -0.727 -7.914 236 H GLU 13 HN GLU 13 0.013 -0.787 -7.394 237 HA GLU 13 HA GLU 13 1.600 -3.001 -8.194 238 1HB GLU 13 HB2 GLU 13 1.966 0.006 -8.439 239 2HB GLU 13 HB1 GLU 13 3.159 -1.133 -9.050 240 1HG GLU 13 HG2 GLU 13 1.238 -2.280 -10.297 241 2HG GLU 13 HG1 GLU 13 0.294 -0.837 -9.949 242 H ALA 14 HN ALA 14 1.925 -0.661 -5.577 243 HA ALA 14 HA ALA 14 4.671 -1.539 -4.974 244 1HB ALA 14 HB1 ALA 14 4.090 0.752 -4.536 245 2HB ALA 14 HB2 ALA 14 4.425 -0.038 -3.005 246 3HB ALA 14 HB3 ALA 14 2.755 0.256 -3.512 247 H LEU 15 HN LEU 15 1.365 -2.078 -3.965 248 HA LEU 15 HA LEU 15 1.979 -3.646 -1.639 249 1HB LEU 15 HB2 LEU 15 -0.442 -3.285 -3.367 250 2HB LEU 15 HB1 LEU 15 -0.427 -4.420 -2.036 251 HG LEU 15 HG LEU 15 0.183 -1.510 -1.679 252 1HD1 LEU 15 HD11 LEU 15 -2.082 -1.431 -0.713 253 2HD1 LEU 15 HD12 LEU 15 -2.303 -3.121 -1.101 254 3HD1 LEU 15 HD13 LEU 15 -2.166 -1.956 -2.399 255 1HD2 LEU 15 HD21 LEU 15 1.181 -3.064 0.000 256 2HD2 LEU 15 HD22 LEU 15 -0.420 -3.732 0.285 257 3HD2 LEU 15 HD23 LEU 15 -0.078 -2.043 0.662 258 H TYR 16 HN TYR 16 0.885 -4.330 -4.882 259 HA TYR 16 HA TYR 16 0.924 -7.115 -4.897 260 1HB TYR 16 HB2 TYR 16 1.217 -4.933 -6.922 261 2HB TYR 16 HB1 TYR 16 1.874 -6.475 -7.414 262 HD1 TYR 16 HD1 TYR 16 -0.661 -4.728 -8.233 263 HD2 TYR 16 HD2 TYR 16 0.029 -8.387 -6.090 264 HE1 TYR 16 HE1 TYR 16 -2.906 -5.531 -8.901 265 HE2 TYR 16 HE2 TYR 16 -2.218 -9.195 -6.741 266 HH TYR 16 HH TYR 16 -4.591 -7.694 -7.531 267 H LEU 17 HN LEU 17 3.551 -4.825 -5.167 268 HA LEU 17 HA LEU 17 5.420 -6.998 -5.804 269 1HB LEU 17 HB2 LEU 17 5.391 -4.096 -6.013 270 2HB LEU 17 HB1 LEU 17 6.854 -4.627 -5.204 271 HG LEU 17 HG LEU 17 7.425 -6.114 -7.015 272 1HD1 LEU 17 HD11 LEU 17 5.840 -5.947 -9.098 273 2HD1 LEU 17 HD12 LEU 17 4.620 -5.473 -7.920 274 3HD1 LEU 17 HD13 LEU 17 5.421 -7.039 -7.789 275 1HD2 LEU 17 HD21 LEU 17 6.483 -3.433 -8.087 276 2HD2 LEU 17 HD22 LEU 17 7.682 -4.486 -8.842 277 3HD2 LEU 17 HD23 LEU 17 8.027 -3.735 -7.286 278 H VAL 18 HN VAL 18 4.888 -4.774 -3.101 279 HA VAL 18 HA VAL 18 7.018 -5.713 -1.481 280 HB VAL 18 HB VAL 18 5.534 -5.018 0.476 281 1HG1 VAL 18 HG11 VAL 18 6.928 -3.336 -0.349 282 2HG1 VAL 18 HG12 VAL 18 5.339 -2.587 -0.410 283 3HG1 VAL 18 HG13 VAL 18 6.079 -3.218 -1.882 284 1HG2 VAL 18 HG21 VAL 18 3.464 -3.693 -0.440 285 2HG2 VAL 18 HG22 VAL 18 3.336 -5.417 -0.161 286 3HG2 VAL 18 HG23 VAL 18 3.603 -4.811 -1.756 287 H CYS 19 HN CYS 19 3.629 -6.871 -1.632 288 HA CYS 19 HA CYS 19 4.529 -9.369 -0.270 289 1HB CYS 19 HB2 CYS 19 1.835 -8.001 -0.490 290 2HB CYS 19 HB1 CYS 19 2.005 -9.650 0.076 291 H GLY 20 HN GLY 20 1.854 -8.602 -2.502 292 1HA GLY 20 HA2 GLY 20 1.231 -9.626 -4.497 293 2HA GLY 20 HA1 GLY 20 2.920 -10.091 -4.706 294 H GLU 21 HN GLU 21 3.634 -11.939 -3.178 295 HA GLU 21 HA GLU 21 1.916 -14.192 -3.660 296 1HB GLU 21 HB2 GLU 21 4.368 -13.819 -1.912 297 2HB GLU 21 HB1 GLU 21 3.601 -15.390 -2.153 298 1HG GLU 21 HG2 GLU 21 4.241 -13.808 -4.623 299 2HG GLU 21 HG1 GLU 21 5.600 -14.473 -3.710 300 H ARG 22 HN ARG 22 1.753 -11.741 -1.309 301 HA ARG 22 HA ARG 22 0.288 -13.547 0.564 302 1HB ARG 22 HB2 ARG 22 1.062 -10.772 1.377 303 2HB ARG 22 HB1 ARG 22 0.995 -12.265 2.311 304 1HG ARG 22 HG2 ARG 22 3.008 -12.869 0.548 305 2HG ARG 22 HG1 ARG 22 3.227 -11.135 0.735 306 1HD ARG 22 HD2 ARG 22 3.728 -11.307 2.971 307 2HD ARG 22 HD1 ARG 22 2.805 -12.805 3.185 308 HE ARG 22 HE ARG 22 5.311 -12.401 1.852 309 1HH1 ARG 22 HH21 ARG 22 5.435 -12.322 4.573 310 2HH1 ARG 22 HH22 ARG 22 5.862 -13.899 5.151 311 1HH2 ARG 22 HH11 ARG 22 5.008 -15.509 2.191 312 2HH2 ARG 22 HH12 ARG 22 5.620 -15.706 3.800 313 H GLY 23 HN GLY 23 -0.321 -11.596 -1.994 314 1HA GLY 23 HA2 GLY 23 -2.140 -10.304 -2.653 315 2HA GLY 23 HA1 GLY 23 -3.058 -11.296 -1.515 316 H PHE 24 HN PHE 24 -3.981 -8.802 -1.587 317 HA PHE 24 HA PHE 24 -3.091 -7.724 0.976 318 1HB PHE 24 HB2 PHE 24 -3.181 -5.340 -0.186 319 2HB PHE 24 HB1 PHE 24 -1.724 -6.308 -0.235 320 HD1 PHE 24 HD1 PHE 24 -4.951 -6.179 -2.175 321 HD2 PHE 24 HD2 PHE 24 -0.663 -6.369 -2.234 322 HE1 PHE 24 HE1 PHE 24 -4.987 -6.120 -4.651 323 HE2 PHE 24 HE2 PHE 24 -0.741 -6.275 -4.674 324 HZ PHE 24 HZ PHE 24 -2.860 -6.144 -5.880 325 H PHE 25 HN PHE 25 -4.566 -5.389 1.073 326 HA PHE 25 HA PHE 25 -7.328 -6.404 0.569 327 1HB PHE 25 HB2 PHE 25 -6.106 -6.083 3.082 328 2HB PHE 25 HB1 PHE 25 -7.103 -4.640 2.920 329 HD1 PHE 25 HD1 PHE 25 -7.106 -8.033 3.858 330 HD2 PHE 25 HD2 PHE 25 -9.529 -5.058 1.942 331 HE1 PHE 25 HE1 PHE 25 -9.141 -9.360 4.365 332 HE2 PHE 25 HE2 PHE 25 -11.569 -6.380 2.444 333 HZ PHE 25 HZ PHE 25 -11.371 -8.536 3.659 334 H TYR 26 HN TYR 26 -6.128 -4.801 -1.275 335 HA TYR 26 HA TYR 26 -6.694 -2.000 -0.731 336 1HB TYR 26 HB2 TYR 26 -4.997 -2.785 -2.445 337 2HB TYR 26 HB1 TYR 26 -6.338 -3.373 -3.446 338 HD1 TYR 26 HD1 TYR 26 -5.703 -0.306 -1.377 339 HD2 TYR 26 HD2 TYR 26 -6.797 -1.919 -5.206 340 HE1 TYR 26 HE1 TYR 26 -6.082 1.943 -2.238 341 HE2 TYR 26 HE2 TYR 26 -7.139 0.379 -6.074 342 HH TYR 26 HH TYR 26 -7.679 2.928 -4.438 343 H THR 27 HN THR 27 -8.828 -1.297 -0.610 344 HA THR 27 HA THR 27 -10.835 -2.714 -2.345 345 HB THR 27 HB THR 27 -12.401 -2.631 -0.608 346 HG1 THR 27 HG1 THR 27 -12.349 -1.124 0.982 347 1HG2 THR 27 HG21 THR 27 -10.261 -4.054 -0.140 348 2HG2 THR 27 HG22 THR 27 -11.390 -3.750 1.179 349 3HG2 THR 27 HG23 THR 27 -9.912 -2.806 1.061 350 H LYS 28 HN LYS 28 -12.811 -1.380 -2.759 351 HA LYS 28 HA LYS 28 -12.949 1.384 -2.511 352 1HB LYS 28 HB2 LYS 28 -10.817 0.859 -4.190 353 2HB LYS 28 HB1 LYS 28 -12.119 1.063 -5.341 354 1HG LYS 28 HG2 LYS 28 -12.595 3.231 -4.679 355 2HG LYS 28 HG1 LYS 28 -11.795 3.055 -3.118 356 1HD LYS 28 HD2 LYS 28 -9.936 3.908 -3.965 357 2HD LYS 28 HD1 LYS 28 -9.786 2.516 -5.043 358 1HE LYS 28 HE2 LYS 28 -11.728 4.079 -6.298 359 2HE LYS 28 HE1 LYS 28 -10.602 5.264 -5.624 360 1HZ LYS 28 HZ1 LYS 28 -9.956 4.554 -7.839 361 2HZ LYS 28 HZ2 LYS 28 -9.847 2.947 -7.328 362 3HZ LYS 28 HZ3 LYS 28 -8.782 4.110 -6.706 363 HA PRO 29 HA PRO 29 -16.724 -0.171 -4.438 364 1HB PRO 29 HB2 PRO 29 -18.265 2.006 -3.807 365 2HB PRO 29 HB1 PRO 29 -17.849 0.734 -2.662 366 1HG PRO 29 HG2 PRO 29 -16.757 3.513 -2.849 367 2HG PRO 29 HG1 PRO 29 -16.909 2.465 -1.428 368 1HD PRO 29 HD2 PRO 29 -14.533 2.941 -2.909 369 2HD PRO 29 HD1 PRO 29 -14.785 1.676 -1.688 370 H THR 30 HN THR 30 -17.364 0.033 -6.562 371 HA THR 30 HA THR 30 -17.362 2.687 -7.855 372 HB THR 30 HB THR 30 -15.869 0.561 -9.387 373 HG1 THR 30 HG1 THR 30 -14.558 2.147 -7.412 374 1HG2 THR 30 HG21 THR 30 -16.387 2.770 -10.363 375 2HG2 THR 30 HG22 THR 30 -14.650 2.525 -10.185 376 3HG2 THR 30 HG23 THR 30 -15.513 3.553 -9.042 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -8.208 3.882 7.014 2 2H GLY 1 HT2 GLY 1 -9.146 4.303 5.672 3 3H GLY 1 HT3 GLY 1 -8.986 5.385 6.961 4 1HA GLY 1 HA1 GLY 1 -7.627 5.930 4.991 5 2HA GLY 1 HA2 GLY 1 -6.755 5.881 6.463 6 H ILE 2 HN ILE 2 -7.650 3.270 4.242 7 HA ILE 2 HA ILE 2 -5.024 2.094 4.463 8 HB ILE 2 HB ILE 2 -7.309 1.724 2.497 9 1HG1 ILE 2 HG12 ILE 2 -7.703 0.952 4.828 10 2HG1 ILE 2 HG11 ILE 2 -7.584 -0.423 3.724 11 1HG2 ILE 2 HG21 ILE 2 -4.578 0.458 2.590 12 2HG2 ILE 2 HG22 ILE 2 -5.511 1.019 1.205 13 3HG2 ILE 2 HG23 ILE 2 -5.963 -0.473 2.013 14 1HD1 ILE 2 HD11 ILE 2 -6.262 -0.989 5.584 15 2HD1 ILE 2 HD12 ILE 2 -5.504 0.585 5.656 16 3HD1 ILE 2 HD13 ILE 2 -5.093 -0.535 4.362 17 H VAL 3 HN VAL 3 -6.616 3.740 1.756 18 HA VAL 3 HA VAL 3 -4.007 4.071 0.405 19 HB VAL 3 HB VAL 3 -6.755 5.081 -0.415 20 1HG1 VAL 3 HG11 VAL 3 -5.310 4.674 -2.696 21 2HG1 VAL 3 HG12 VAL 3 -4.030 5.155 -1.589 22 3HG1 VAL 3 HG13 VAL 3 -5.414 6.212 -1.851 23 1HG2 VAL 3 HG21 VAL 3 -6.798 3.094 -1.852 24 2HG2 VAL 3 HG22 VAL 3 -6.758 2.645 -0.161 25 3HG2 VAL 3 HG23 VAL 3 -5.291 2.542 -1.113 26 H GLU 4 HN GLU 4 -6.619 6.249 1.390 27 HA GLU 4 HA GLU 4 -5.515 8.706 0.987 28 1HB GLU 4 HB2 GLU 4 -6.533 9.120 3.538 29 2HB GLU 4 HB1 GLU 4 -7.467 9.148 2.045 30 1HG GLU 4 HG2 GLU 4 -6.989 6.472 3.321 31 2HG GLU 4 HG1 GLU 4 -8.112 7.595 4.087 32 H GLN 5 HN GLN 5 -4.401 6.368 3.363 33 HA GLN 5 HA GLN 5 -2.684 8.308 4.719 34 1HB GLN 5 HB2 GLN 5 -3.600 6.373 5.925 35 2HB GLN 5 HB1 GLN 5 -2.734 5.268 4.844 36 1HG GLN 5 HG2 GLN 5 -0.632 5.888 5.668 37 2HG GLN 5 HG1 GLN 5 -1.235 7.400 6.370 38 1HE2 GLN 5 HE21 GLN 5 -2.505 7.247 8.358 39 2HE2 GLN 5 HE22 GLN 5 -2.386 5.832 9.341 40 H CYS 6 HN CYS 6 -2.266 5.679 2.327 41 HA CYS 6 HA CYS 6 0.605 6.374 2.086 42 1HB CYS 6 HB2 CYS 6 -1.042 4.264 0.657 43 2HB CYS 6 HB1 CYS 6 0.710 4.360 0.645 44 H CYS 7 HN CYS 7 -2.378 7.104 0.580 45 HA CYS 7 HA CYS 7 -1.203 7.732 -1.992 46 1HB CYS 7 HB2 CYS 7 -3.474 6.942 -1.946 47 2HB CYS 7 HB1 CYS 7 -3.985 8.248 -0.882 48 H THR 8 HN THR 8 -3.019 9.755 0.317 49 HA THR 8 HA THR 8 -2.038 12.204 -0.793 50 HB THR 8 HB THR 8 -2.838 13.246 1.326 51 HG1 THR 8 HG1 THR 8 -3.301 10.568 2.175 52 1HG2 THR 8 HG21 THR 8 -4.443 12.628 -0.470 53 2HG2 THR 8 HG22 THR 8 -5.158 12.557 1.139 54 3HG2 THR 8 HG23 THR 8 -4.692 11.070 0.322 55 H SER 9 HN SER 9 -1.271 11.354 2.573 56 HA SER 9 HA SER 9 1.235 12.677 2.529 57 1HB SER 9 HB2 SER 9 0.259 10.385 4.275 58 2HB SER 9 HB1 SER 9 1.708 11.335 4.612 59 HG SER 9 HG SER 9 0.001 12.222 5.743 60 H ILE 10 HN ILE 10 3.129 10.741 3.453 61 HA ILE 10 HA ILE 10 3.468 9.111 0.963 62 HB ILE 10 HB ILE 10 5.745 9.845 2.800 63 1HG1 ILE 10 HG12 ILE 10 4.761 12.010 2.441 64 2HG1 ILE 10 HG11 ILE 10 6.062 11.876 1.251 65 1HG2 ILE 10 HG21 ILE 10 5.781 9.741 -0.210 66 2HG2 ILE 10 HG22 ILE 10 5.768 8.238 0.721 67 3HG2 ILE 10 HG23 ILE 10 7.032 9.419 0.985 68 1HD1 ILE 10 HD11 ILE 10 3.745 10.778 -0.003 69 2HD1 ILE 10 HD12 ILE 10 4.593 12.262 -0.347 70 3HD1 ILE 10 HD13 ILE 10 3.274 12.278 0.794 71 H CYS 11 HN CYS 11 3.516 6.939 1.214 72 HA CYS 11 HA CYS 11 3.522 5.888 4.003 73 1HB CYS 11 HB2 CYS 11 2.171 5.172 1.586 74 2HB CYS 11 HB1 CYS 11 3.136 3.795 2.059 75 H SER 12 HN SER 12 4.630 3.598 4.111 76 HA SER 12 HA SER 12 7.310 3.844 2.779 77 1HB SER 12 HB2 SER 12 7.356 2.307 5.242 78 2HB SER 12 HB1 SER 12 8.282 3.729 4.787 79 HG SER 12 HG SER 12 6.761 5.031 5.625 80 H LEU 13 HN LEU 13 7.799 2.123 1.579 81 HA LEU 13 HA LEU 13 6.097 0.004 0.923 82 1HB LEU 13 HB2 LEU 13 9.088 -0.492 1.059 83 2HB LEU 13 HB1 LEU 13 7.917 -1.079 -0.117 84 HG LEU 13 HG LEU 13 8.856 0.589 -1.394 85 1HD1 LEU 13 HD11 LEU 13 7.389 2.305 -1.655 86 2HD1 LEU 13 HD12 LEU 13 7.088 2.531 0.042 87 3HD1 LEU 13 HD13 LEU 13 6.376 1.162 -0.811 88 1HD2 LEU 13 HD21 LEU 13 9.770 1.561 1.200 89 2HD2 LEU 13 HD22 LEU 13 9.321 2.872 0.111 90 3HD2 LEU 13 HD23 LEU 13 10.514 1.682 -0.388 91 H TYR 14 HN TYR 14 8.220 0.360 3.640 92 HA TYR 14 HA TYR 14 8.037 -2.384 4.538 93 1HB TYR 14 HB2 TYR 14 8.446 -0.480 6.732 94 2HB TYR 14 HB1 TYR 14 9.528 -1.721 6.103 95 HD1 TYR 14 HD1 TYR 14 9.090 1.743 6.515 96 HD2 TYR 14 HD2 TYR 14 10.646 -1.174 3.769 97 HE1 TYR 14 HE1 TYR 14 10.532 3.482 5.489 98 HE2 TYR 14 HE2 TYR 14 12.091 0.563 2.740 99 HH TYR 14 HH TYR 14 13.073 3.094 3.896 100 H GLN 15 HN GLN 15 6.252 0.609 5.162 101 HA GLN 15 HA GLN 15 4.468 -0.690 7.080 102 1HB GLN 15 HB2 GLN 15 4.108 1.985 5.666 103 2HB GLN 15 HB1 GLN 15 3.337 1.456 7.168 104 1HG GLN 15 HG2 GLN 15 6.178 2.240 6.725 105 2HG GLN 15 HG1 GLN 15 5.068 2.841 7.934 106 1HE2 GLN 15 HE21 GLN 15 4.146 0.428 9.026 107 2HE2 GLN 15 HE22 GLN 15 5.487 -0.411 9.713 108 H LEU 16 HN LEU 16 4.693 -0.281 3.687 109 HA LEU 16 HA LEU 16 1.888 -0.652 3.155 110 1HB LEU 16 HB2 LEU 16 3.627 0.384 1.570 111 2HB LEU 16 HB1 LEU 16 4.218 -1.259 1.291 112 HG LEU 16 HG LEU 16 1.834 -1.884 0.662 113 1HD1 LEU 16 HD11 LEU 16 0.280 -0.144 0.128 114 2HD1 LEU 16 HD12 LEU 16 1.479 1.102 0.457 115 3HD1 LEU 16 HD13 LEU 16 0.822 0.150 1.768 116 1HD2 LEU 16 HD21 LEU 16 1.983 -0.710 -1.595 117 2HD2 LEU 16 HD22 LEU 16 3.394 -1.647 -1.108 118 3HD2 LEU 16 HD23 LEU 16 3.407 0.109 -0.956 119 H GLU 17 HN GLU 17 4.626 -2.721 3.816 120 HA GLU 17 HA GLU 17 3.678 -5.128 2.661 121 1HB GLU 17 HB2 GLU 17 5.828 -4.382 4.332 122 2HB GLU 17 HB1 GLU 17 4.920 -5.557 5.290 123 1HG GLU 17 HG2 GLU 17 4.916 -6.992 3.109 124 2HG GLU 17 HG1 GLU 17 6.212 -5.898 2.599 125 H ASN 18 HN ASN 18 2.668 -3.377 5.508 126 HA ASN 18 HA ASN 18 1.136 -5.595 6.611 127 1HB ASN 18 HB2 ASN 18 2.099 -3.251 7.660 128 2HB ASN 18 HB1 ASN 18 0.413 -2.801 7.388 129 1HD2 ASN 18 HD21 ASN 18 2.409 -5.389 8.859 130 2HD2 ASN 18 HD22 ASN 18 1.245 -5.755 10.082 131 H TYR 19 HN TYR 19 0.678 -4.092 3.786 132 HA TYR 19 HA TYR 19 -2.251 -3.699 4.094 133 1HB TYR 19 HB2 TYR 19 -0.186 -2.825 2.100 134 2HB TYR 19 HB1 TYR 19 -1.873 -2.883 1.605 135 HD1 TYR 19 HD1 TYR 19 -1.239 -2.179 5.134 136 HD2 TYR 19 HD2 TYR 19 -1.593 -0.379 1.249 137 HE1 TYR 19 HE1 TYR 19 -1.557 -0.017 6.199 138 HE2 TYR 19 HE2 TYR 19 -1.937 1.803 2.328 139 HH TYR 19 HH TYR 19 -2.861 2.374 5.197 140 H CYS 20 HN CYS 20 0.100 -5.925 3.001 141 HA CYS 20 HA CYS 20 -1.415 -7.197 0.931 142 1HB CYS 20 HB2 CYS 20 0.563 -8.615 2.736 143 2HB CYS 20 HB1 CYS 20 0.189 -8.935 1.044 144 H ASN 21 HN ASN 21 -2.695 -9.158 1.118 145 HA ASN 21 HA ASN 21 -4.424 -9.256 3.383 146 1HB ASN 21 HB2 ASN 21 -3.930 -11.052 1.005 147 2HB ASN 21 HB1 ASN 21 -4.959 -11.637 2.320 148 1HD2 ASN 21 HD21 ASN 21 -6.618 -9.827 3.065 149 2HD2 ASN 21 HD22 ASN 21 -7.426 -9.050 1.750 150 1H PHE 1 HT1 PHE 1 11.526 4.239 -5.964 151 2H PHE 1 HT2 PHE 1 11.608 2.635 -6.558 152 3H PHE 1 HT3 PHE 1 12.997 3.360 -5.848 153 HA PHE 1 HA PHE 1 10.444 2.742 -4.478 154 1HB PHE 1 HB2 PHE 1 12.694 1.095 -5.147 155 2HB PHE 1 HB1 PHE 1 12.789 1.386 -3.410 156 HD1 PHE 1 HD1 PHE 1 10.151 0.681 -5.997 157 HD2 PHE 1 HD2 PHE 1 11.680 -0.119 -2.058 158 HE1 PHE 1 HE1 PHE 1 8.340 -0.978 -5.629 159 HE2 PHE 1 HE2 PHE 1 9.870 -1.778 -1.693 160 HZ PHE 1 HZ PHE 1 8.200 -2.206 -3.479 161 H VAL 2 HN VAL 2 10.310 4.750 -3.429 162 HA VAL 2 HA VAL 2 12.240 5.136 -1.234 163 HB VAL 2 HB VAL 2 13.013 7.261 -1.853 164 1HG1 VAL 2 HG11 VAL 2 13.941 5.517 -3.342 165 2HG1 VAL 2 HG12 VAL 2 13.832 7.070 -4.124 166 3HG1 VAL 2 HG13 VAL 2 12.654 5.839 -4.517 167 1HG2 VAL 2 HG21 VAL 2 11.926 8.406 -3.939 168 2HG2 VAL 2 HG22 VAL 2 11.099 8.514 -2.408 169 3HG2 VAL 2 HG23 VAL 2 10.559 7.347 -3.618 170 H ASN 3 HN ASN 3 11.398 7.694 -0.477 171 HA ASN 3 HA ASN 3 8.817 7.044 0.667 172 1HB ASN 3 HB2 ASN 3 10.895 9.078 1.027 173 2HB ASN 3 HB1 ASN 3 9.298 9.808 1.081 174 1HD2 ASN 3 HD21 ASN 3 11.529 8.580 3.090 175 2HD2 ASN 3 HD22 ASN 3 10.482 7.952 4.312 176 H GLN 4 HN GLN 4 8.239 6.856 -1.929 177 HA GLN 4 HA GLN 4 7.295 9.446 -2.975 178 1HB GLN 4 HB2 GLN 4 6.658 8.195 -4.947 179 2HB GLN 4 HB1 GLN 4 8.279 7.673 -4.473 180 1HG GLN 4 HG2 GLN 4 6.216 6.054 -3.140 181 2HG GLN 4 HG1 GLN 4 6.051 6.038 -4.891 182 1HE2 GLN 4 HE21 GLN 4 8.186 5.604 -6.096 183 2HE2 GLN 4 HE22 GLN 4 9.248 4.466 -5.349 184 H ALA 5 HN ALA 5 4.952 9.601 -3.660 185 HA ALA 5 HA ALA 5 3.220 8.888 -1.441 186 1HB ALA 5 HB1 ALA 5 2.562 9.932 -4.213 187 2HB ALA 5 HB2 ALA 5 2.773 10.895 -2.753 188 3HB ALA 5 HB3 ALA 5 1.404 9.796 -2.890 189 H LEU 6 HN LEU 6 1.106 7.602 -1.920 190 HA LEU 6 HA LEU 6 1.646 5.394 -3.861 191 1HB LEU 6 HB2 LEU 6 1.469 5.256 -0.936 192 2HB LEU 6 HB1 LEU 6 0.322 4.205 -1.705 193 HG LEU 6 HG LEU 6 2.644 3.223 -1.234 194 1HD1 LEU 6 HD11 LEU 6 1.773 1.783 -2.675 195 2HD1 LEU 6 HD12 LEU 6 2.633 2.609 -3.957 196 3HD1 LEU 6 HD13 LEU 6 0.963 3.024 -3.617 197 1HD2 LEU 6 HD21 LEU 6 3.434 4.767 -3.717 198 2HD2 LEU 6 HD22 LEU 6 4.424 3.821 -2.637 199 3HD2 LEU 6 HD23 LEU 6 3.789 5.347 -2.078 200 H CYS 7 HN CYS 7 0.166 6.411 -5.278 201 HA CYS 7 HA CYS 7 -2.690 6.045 -4.409 202 1HB CYS 7 HB2 CYS 7 -1.618 8.099 -6.385 203 2HB CYS 7 HB1 CYS 7 -3.290 7.937 -5.823 204 H GLY 8 HN GLY 8 -4.138 5.346 -6.123 205 1HA GLY 8 HA2 GLY 8 -4.704 4.067 -7.995 206 2HA GLY 8 HA1 GLY 8 -3.266 4.719 -8.777 207 H SER 9 HN SER 9 -3.089 2.525 -9.705 208 HA SER 9 HA SER 9 -2.781 0.171 -8.287 209 1HB SER 9 HB2 SER 9 -0.922 0.660 -10.595 210 2HB SER 9 HB1 SER 9 -1.939 -0.748 -10.250 211 HG SER 9 HG SER 9 -3.685 0.315 -11.017 212 H ASP 10 HN ASP 10 -0.666 2.892 -8.310 213 HA ASP 10 HA ASP 10 1.859 1.900 -7.877 214 1HB ASP 10 HB2 ASP 10 0.551 4.035 -6.150 215 2HB ASP 10 HB1 ASP 10 2.279 3.830 -6.442 216 H LEU 11 HN LEU 11 -0.852 1.884 -5.560 217 HA LEU 11 HA LEU 11 0.663 0.725 -3.388 218 1HB LEU 11 HB2 LEU 11 -2.286 0.668 -4.024 219 2HB LEU 11 HB1 LEU 11 -1.607 0.094 -2.504 220 HG LEU 11 HG LEU 11 -0.952 2.899 -3.390 221 1HD1 LEU 11 HD11 LEU 11 -2.956 3.735 -2.408 222 2HD1 LEU 11 HD12 LEU 11 -3.511 2.123 -2.009 223 3HD1 LEU 11 HD13 LEU 11 -3.401 2.630 -3.695 224 1HD2 LEU 11 HD21 LEU 11 -1.031 3.204 -0.936 225 2HD2 LEU 11 HD22 LEU 11 0.121 1.967 -1.384 226 3HD2 LEU 11 HD23 LEU 11 -1.445 1.517 -0.735 227 H VAL 12 HN VAL 12 -1.910 -0.820 -5.222 228 HA VAL 12 HA VAL 12 -1.328 -3.451 -4.594 229 HB VAL 12 HB VAL 12 -2.349 -4.053 -6.790 230 1HG1 VAL 12 HG11 VAL 12 -3.752 -3.415 -4.843 231 2HG1 VAL 12 HG12 VAL 12 -4.492 -2.968 -6.377 232 3HG1 VAL 12 HG13 VAL 12 -3.721 -1.736 -5.383 233 1HG2 VAL 12 HG21 VAL 12 -2.131 -1.102 -7.231 234 2HG2 VAL 12 HG22 VAL 12 -3.086 -2.153 -8.230 235 3HG2 VAL 12 HG23 VAL 12 -1.347 -2.329 -8.200 236 H GLU 13 HN GLU 13 0.225 -1.430 -7.088 237 HA GLU 13 HA GLU 13 1.828 -3.576 -8.157 238 1HB GLU 13 HB2 GLU 13 2.238 -0.561 -8.229 239 2HB GLU 13 HB1 GLU 13 3.144 -1.741 -9.193 240 1HG GLU 13 HG2 GLU 13 0.533 -2.457 -9.752 241 2HG GLU 13 HG1 GLU 13 0.422 -0.722 -9.566 242 H ALA 14 HN ALA 14 2.338 -1.042 -5.708 243 HA ALA 14 HA ALA 14 5.079 -1.845 -5.145 244 1HB ALA 14 HB1 ALA 14 4.356 0.415 -4.613 245 2HB ALA 14 HB2 ALA 14 4.788 -0.404 -3.113 246 3HB ALA 14 HB3 ALA 14 3.090 -0.197 -3.553 247 H LEU 15 HN LEU 15 1.897 -2.780 -4.123 248 HA LEU 15 HA LEU 15 2.777 -4.305 -1.821 249 1HB LEU 15 HB2 LEU 15 0.214 -3.911 -3.279 250 2HB LEU 15 HB1 LEU 15 0.325 -5.174 -2.083 251 HG LEU 15 HG LEU 15 1.342 -2.567 -1.211 252 1HD1 LEU 15 HD11 LEU 15 -1.510 -2.619 -0.829 253 2HD1 LEU 15 HD12 LEU 15 -1.131 -2.620 -2.545 254 3HD1 LEU 15 HD13 LEU 15 -0.496 -1.358 -1.505 255 1HD2 LEU 15 HD21 LEU 15 0.204 -3.250 0.809 256 2HD2 LEU 15 HD22 LEU 15 1.278 -4.475 0.273 257 3HD2 LEU 15 HD23 LEU 15 -0.461 -4.654 0.013 258 H TYR 16 HN TYR 16 1.503 -4.900 -5.017 259 HA TYR 16 HA TYR 16 1.470 -7.632 -5.239 260 1HB TYR 16 HB2 TYR 16 2.033 -5.361 -7.088 261 2HB TYR 16 HB1 TYR 16 2.673 -6.895 -7.626 262 HD1 TYR 16 HD1 TYR 16 -0.004 -4.901 -8.056 263 HD2 TYR 16 HD2 TYR 16 0.941 -8.951 -7.018 264 HE1 TYR 16 HE1 TYR 16 -2.228 -5.601 -8.864 265 HE2 TYR 16 HE2 TYR 16 -1.283 -9.681 -7.853 266 HH TYR 16 HH TYR 16 -3.761 -8.133 -8.152 267 H LEU 17 HN LEU 17 4.225 -5.502 -5.026 268 HA LEU 17 HA LEU 17 6.038 -7.714 -5.729 269 1HB LEU 17 HB2 LEU 17 6.109 -4.787 -5.746 270 2HB LEU 17 HB1 LEU 17 7.532 -5.460 -4.948 271 HG LEU 17 HG LEU 17 7.976 -6.912 -6.885 272 1HD1 LEU 17 HD11 LEU 17 6.621 -6.440 -8.978 273 2HD1 LEU 17 HD12 LEU 17 5.459 -5.600 -7.954 274 3HD1 LEU 17 HD13 LEU 17 5.759 -7.322 -7.729 275 1HD2 LEU 17 HD21 LEU 17 7.519 -4.007 -7.641 276 2HD2 LEU 17 HD22 LEU 17 8.586 -5.140 -8.474 277 3HD2 LEU 17 HD23 LEU 17 8.947 -4.645 -6.822 278 H VAL 18 HN VAL 18 5.108 -5.847 -2.916 279 HA VAL 18 HA VAL 18 7.206 -7.121 -1.266 280 HB VAL 18 HB VAL 18 6.140 -5.808 0.573 281 1HG1 VAL 18 HG11 VAL 18 6.713 -3.596 -0.355 282 2HG1 VAL 18 HG12 VAL 18 6.702 -4.275 -1.983 283 3HG1 VAL 18 HG13 VAL 18 7.903 -4.812 -0.810 284 1HG2 VAL 18 HG21 VAL 18 3.992 -5.271 0.325 285 2HG2 VAL 18 HG22 VAL 18 4.004 -5.682 -1.348 286 3HG2 VAL 18 HG23 VAL 18 4.467 -4.076 -0.860 287 H CYS 19 HN CYS 19 3.923 -7.727 -2.165 288 HA CYS 19 HA CYS 19 3.482 -9.501 0.180 289 1HB CYS 19 HB2 CYS 19 1.541 -9.084 -2.097 290 2HB CYS 19 HB1 CYS 19 1.219 -9.474 -0.409 291 H GLY 20 HN GLY 20 3.894 -9.589 -3.337 292 1HA GLY 20 HA2 GLY 20 4.726 -11.390 -4.607 293 2HA GLY 20 HA1 GLY 20 4.685 -12.421 -3.176 294 H GLU 21 HN GLU 21 2.114 -10.503 -4.793 295 HA GLU 21 HA GLU 21 0.083 -11.189 -5.685 296 1HB GLU 21 HB2 GLU 21 1.902 -13.451 -6.173 297 2HB GLU 21 HB1 GLU 21 0.252 -14.004 -5.924 298 1HG GLU 21 HG2 GLU 21 0.651 -11.626 -7.702 299 2HG GLU 21 HG1 GLU 21 1.208 -13.200 -8.281 300 H ARG 22 HN ARG 22 1.111 -11.819 -2.679 301 HA ARG 22 HA ARG 22 -0.673 -13.843 -1.759 302 1HB ARG 22 HB2 ARG 22 1.395 -12.699 -0.589 303 2HB ARG 22 HB1 ARG 22 0.199 -11.536 0.002 304 1HG ARG 22 HG2 ARG 22 -1.140 -13.456 0.885 305 2HG ARG 22 HG1 ARG 22 0.161 -14.546 0.389 306 1HD ARG 22 HD2 ARG 22 0.714 -12.156 2.167 307 2HD ARG 22 HD1 ARG 22 0.120 -13.684 2.832 308 HE ARG 22 HE ARG 22 1.861 -14.671 1.492 309 1HH1 ARG 22 HH21 ARG 22 1.457 -14.567 4.249 310 2HH1 ARG 22 HH22 ARG 22 2.973 -14.145 4.966 311 1HH2 ARG 22 HH11 ARG 22 4.355 -12.932 2.020 312 2HH2 ARG 22 HH12 ARG 22 4.616 -13.225 3.708 313 H GLY 23 HN GLY 23 -1.335 -10.729 -2.957 314 1HA GLY 23 HA2 GLY 23 -3.520 -9.865 -3.219 315 2HA GLY 23 HA1 GLY 23 -4.094 -10.874 -1.892 316 H PHE 24 HN PHE 24 -4.911 -8.351 -1.661 317 HA PHE 24 HA PHE 24 -3.317 -7.326 0.596 318 1HB PHE 24 HB2 PHE 24 -4.068 -5.079 -1.070 319 2HB PHE 24 HB1 PHE 24 -2.496 -5.491 -0.392 320 HD1 PHE 24 HD1 PHE 24 -4.497 -5.351 -3.362 321 HD2 PHE 24 HD2 PHE 24 -1.077 -7.244 -1.591 322 HE1 PHE 24 HE1 PHE 24 -3.682 -5.995 -5.615 323 HE2 PHE 24 HE2 PHE 24 -0.270 -7.908 -3.837 324 HZ PHE 24 HZ PHE 24 -1.578 -7.260 -5.829 325 H PHE 25 HN PHE 25 -4.530 -5.051 1.209 326 HA PHE 25 HA PHE 25 -7.424 -5.812 1.394 327 1HB PHE 25 HB2 PHE 25 -6.058 -5.810 3.548 328 2HB PHE 25 HB1 PHE 25 -5.852 -4.066 3.335 329 HD1 PHE 25 HD1 PHE 25 -8.314 -6.778 3.892 330 HD2 PHE 25 HD2 PHE 25 -7.671 -2.534 3.709 331 HE1 PHE 25 HE1 PHE 25 -10.551 -6.394 4.896 332 HE2 PHE 25 HE2 PHE 25 -9.911 -2.149 4.697 333 HZ PHE 25 HZ PHE 25 -11.348 -4.080 5.300 334 H TYR 26 HN TYR 26 -5.862 -4.183 -0.644 335 HA TYR 26 HA TYR 26 -6.702 -1.426 -0.222 336 1HB TYR 26 HB2 TYR 26 -4.692 -1.827 -1.510 337 2HB TYR 26 HB1 TYR 26 -5.552 -2.913 -2.609 338 HD1 TYR 26 HD1 TYR 26 -4.880 0.557 -1.723 339 HD2 TYR 26 HD2 TYR 26 -7.210 -2.040 -4.217 340 HE1 TYR 26 HE1 TYR 26 -5.471 2.477 -3.210 341 HE2 TYR 26 HE2 TYR 26 -7.818 -0.127 -5.661 342 HH TYR 26 HH TYR 26 -7.877 2.716 -5.069 343 H THR 27 HN THR 27 -8.872 -0.972 -0.374 344 HA THR 27 HA THR 27 -10.491 -2.491 -2.393 345 HB THR 27 HB THR 27 -12.336 -2.228 -1.014 346 HG1 THR 27 HG1 THR 27 -12.673 -0.438 0.204 347 1HG2 THR 27 HG21 THR 27 -10.379 -3.416 0.173 348 2HG2 THR 27 HG22 THR 27 -11.708 -2.840 1.175 349 3HG2 THR 27 HG23 THR 27 -10.209 -1.922 1.103 350 H LYS 28 HN LYS 28 -12.574 -0.802 -2.812 351 HA LYS 28 HA LYS 28 -11.315 1.241 -4.461 352 1HB LYS 28 HB2 LYS 28 -13.686 -0.245 -4.610 353 2HB LYS 28 HB1 LYS 28 -14.241 1.406 -4.312 354 1HG LYS 28 HG2 LYS 28 -12.723 2.151 -6.190 355 2HG LYS 28 HG1 LYS 28 -12.426 0.443 -6.524 356 1HD LYS 28 HD2 LYS 28 -15.008 0.231 -6.641 357 2HD LYS 28 HD1 LYS 28 -15.006 2.001 -6.722 358 1HE LYS 28 HE2 LYS 28 -15.016 1.262 -8.975 359 2HE LYS 28 HE1 LYS 28 -13.346 1.753 -8.669 360 1HZ LYS 28 HZ1 LYS 28 -13.553 -0.420 -9.795 361 2HZ LYS 28 HZ2 LYS 28 -14.342 -1.049 -8.440 362 3HZ LYS 28 HZ3 LYS 28 -12.734 -0.532 -8.324 363 HA PRO 29 HA PRO 29 -11.906 4.417 -1.355 364 1HB PRO 29 HB2 PRO 29 -11.215 6.543 -2.938 365 2HB PRO 29 HB1 PRO 29 -10.051 5.421 -2.238 366 1HG PRO 29 HG2 PRO 29 -10.990 5.616 -5.072 367 2HG PRO 29 HG1 PRO 29 -9.440 5.027 -4.446 368 1HD PRO 29 HD2 PRO 29 -11.604 3.428 -5.315 369 2HD PRO 29 HD1 PRO 29 -10.185 2.872 -4.414 370 H THR 30 HN THR 30 -13.144 6.560 -1.207 371 HA THR 30 HA THR 30 -15.116 7.280 -3.138 372 HB THR 30 HB THR 30 -16.018 4.981 -2.495 373 HG1 THR 30 HG1 THR 30 -17.707 7.126 -1.683 374 1HG2 THR 30 HG21 THR 30 -16.758 6.228 0.127 375 2HG2 THR 30 HG22 THR 30 -15.229 5.357 -0.036 376 3HG2 THR 30 HG23 THR 30 -16.754 4.533 -0.340 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -6.554 3.762 7.768 2 2H GLY 1 HT2 GLY 1 -7.341 5.221 7.435 3 3H GLY 1 HT3 GLY 1 -5.728 5.009 6.974 4 1HA GLY 1 HA1 GLY 1 -7.941 3.319 5.933 5 2HA GLY 1 HA2 GLY 1 -7.477 4.766 5.173 6 H ILE 2 HN ILE 2 -7.470 3.068 3.407 7 HA ILE 2 HA ILE 2 -4.893 1.577 3.373 8 HB ILE 2 HB ILE 2 -7.376 1.563 1.634 9 1HG1 ILE 2 HG12 ILE 2 -7.486 0.298 3.760 10 2HG1 ILE 2 HG11 ILE 2 -7.445 -0.815 2.386 11 1HG2 ILE 2 HG21 ILE 2 -4.639 0.402 1.124 12 2HG2 ILE 2 HG22 ILE 2 -5.737 1.221 0.016 13 3HG2 ILE 2 HG23 ILE 2 -6.079 -0.424 0.525 14 1HD1 ILE 2 HD11 ILE 2 -5.890 -1.716 3.853 15 2HD1 ILE 2 HD12 ILE 2 -5.256 -0.155 4.325 16 3HD1 ILE 2 HD13 ILE 2 -4.857 -0.829 2.751 17 H VAL 3 HN VAL 3 -6.711 3.698 1.172 18 HA VAL 3 HA VAL 3 -4.114 4.417 -0.125 19 HB VAL 3 HB VAL 3 -6.992 4.941 -0.930 20 1HG1 VAL 3 HG11 VAL 3 -5.965 5.743 -3.055 21 2HG1 VAL 3 HG12 VAL 3 -4.374 5.606 -2.318 22 3HG1 VAL 3 HG13 VAL 3 -5.543 6.777 -1.698 23 1HG2 VAL 3 HG21 VAL 3 -6.060 3.434 -2.890 24 2HG2 VAL 3 HG22 VAL 3 -6.601 2.702 -1.384 25 3HG2 VAL 3 HG23 VAL 3 -4.886 2.935 -1.672 26 H GLU 4 HN GLU 4 -6.723 5.792 1.754 27 HA GLU 4 HA GLU 4 -6.100 8.536 1.386 28 1HB GLU 4 HB2 GLU 4 -7.112 8.716 3.798 29 2HB GLU 4 HB1 GLU 4 -8.132 8.131 2.482 30 1HG GLU 4 HG2 GLU 4 -6.655 5.909 3.701 31 2HG GLU 4 HG1 GLU 4 -7.557 6.839 4.890 32 H GLN 5 HN GLN 5 -4.250 6.069 2.899 33 HA GLN 5 HA GLN 5 -2.798 8.026 4.591 34 1HB GLN 5 HB2 GLN 5 -3.487 5.856 5.590 35 2HB GLN 5 HB1 GLN 5 -2.505 5.029 4.393 36 1HG GLN 5 HG2 GLN 5 -0.475 6.032 5.222 37 2HG GLN 5 HG1 GLN 5 -1.399 7.082 6.311 38 1HE2 GLN 5 HE21 GLN 5 -2.476 3.766 5.915 39 2HE2 GLN 5 HE22 GLN 5 -1.917 3.250 7.442 40 H CYS 6 HN CYS 6 -1.810 5.291 2.461 41 HA CYS 6 HA CYS 6 0.773 6.398 2.029 42 1HB CYS 6 HB2 CYS 6 -0.851 4.421 0.405 43 2HB CYS 6 HB1 CYS 6 0.848 4.728 0.094 44 H CYS 7 HN CYS 7 -2.272 6.925 0.396 45 HA CYS 7 HA CYS 7 -1.093 8.239 -1.870 46 1HB CYS 7 HB2 CYS 7 -3.427 7.309 -1.832 47 2HB CYS 7 HB1 CYS 7 -3.900 8.645 -0.777 48 H THR 8 HN THR 8 -2.641 9.489 1.076 49 HA THR 8 HA THR 8 -1.806 12.223 0.415 50 HB THR 8 HB THR 8 -2.676 12.762 2.691 51 HG1 THR 8 HG1 THR 8 -2.228 11.015 3.926 52 1HG2 THR 8 HG21 THR 8 -4.232 12.587 0.774 53 2HG2 THR 8 HG22 THR 8 -4.992 12.108 2.290 54 3HG2 THR 8 HG23 THR 8 -4.474 10.877 1.142 55 H SER 9 HN SER 9 0.097 13.215 1.107 56 HA SER 9 HA SER 9 2.130 13.470 2.241 57 1HB SER 9 HB2 SER 9 0.672 12.307 4.152 58 2HB SER 9 HB1 SER 9 1.733 10.936 3.850 59 HG SER 9 HG SER 9 2.689 12.238 5.381 60 H ILE 10 HN ILE 10 3.561 10.830 3.142 61 HA ILE 10 HA ILE 10 4.012 9.674 0.430 62 HB ILE 10 HB ILE 10 6.301 10.229 2.334 63 1HG1 ILE 10 HG12 ILE 10 5.198 12.416 1.913 64 2HG1 ILE 10 HG11 ILE 10 6.726 12.308 1.037 65 1HG2 ILE 10 HG21 ILE 10 6.424 10.213 -0.664 66 2HG2 ILE 10 HG22 ILE 10 6.296 8.683 0.180 67 3HG2 ILE 10 HG23 ILE 10 7.601 9.769 0.541 68 1HD1 ILE 10 HD11 ILE 10 4.530 11.258 -0.595 69 2HD1 ILE 10 HD12 ILE 10 5.741 12.462 -0.927 70 3HD1 ILE 10 HD13 ILE 10 4.286 12.927 -0.082 71 H CYS 11 HN CYS 11 3.934 7.484 0.495 72 HA CYS 11 HA CYS 11 4.033 6.210 3.190 73 1HB CYS 11 HB2 CYS 11 2.327 5.834 1.053 74 2HB CYS 11 HB1 CYS 11 3.386 4.454 0.897 75 H SER 12 HN SER 12 5.068 3.984 3.220 76 HA SER 12 HA SER 12 7.553 3.972 1.538 77 1HB SER 12 HB2 SER 12 7.157 3.434 4.488 78 2HB SER 12 HB1 SER 12 8.545 2.773 3.614 79 HG SER 12 HG SER 12 8.862 4.892 4.611 80 H LEU 13 HN LEU 13 7.849 2.077 0.458 81 HA LEU 13 HA LEU 13 5.876 0.120 0.161 82 1HB LEU 13 HB2 LEU 13 8.882 0.044 -0.164 83 2HB LEU 13 HB1 LEU 13 7.936 -1.430 -0.426 84 HG LEU 13 HG LEU 13 6.648 -0.438 -2.164 85 1HD1 LEU 13 HD11 LEU 13 7.943 2.183 -1.355 86 2HD1 LEU 13 HD12 LEU 13 6.225 1.768 -1.202 87 3HD1 LEU 13 HD13 LEU 13 6.948 1.955 -2.777 88 1HD2 LEU 13 HD21 LEU 13 8.914 -1.134 -2.832 89 2HD2 LEU 13 HD22 LEU 13 9.520 0.483 -2.466 90 3HD2 LEU 13 HD23 LEU 13 8.366 0.247 -3.780 91 H TYR 14 HN TYR 14 8.280 0.466 2.655 92 HA TYR 14 HA TYR 14 7.965 -2.123 3.800 93 1HB TYR 14 HB2 TYR 14 9.881 -0.680 4.365 94 2HB TYR 14 HB1 TYR 14 8.789 0.528 5.064 95 HD1 TYR 14 HD1 TYR 14 8.162 -3.095 5.452 96 HD2 TYR 14 HD2 TYR 14 9.860 0.423 7.260 97 HE1 TYR 14 HE1 TYR 14 8.262 -4.264 7.611 98 HE2 TYR 14 HE2 TYR 14 9.968 -0.762 9.436 99 HH TYR 14 HH TYR 14 9.966 -3.806 9.903 100 H GLN 15 HN GLN 15 6.350 1.004 4.290 101 HA GLN 15 HA GLN 15 4.635 -0.016 6.419 102 1HB GLN 15 HB2 GLN 15 4.467 2.502 4.717 103 2HB GLN 15 HB1 GLN 15 3.437 2.172 6.117 104 1HG GLN 15 HG2 GLN 15 6.440 2.033 6.434 105 2HG GLN 15 HG1 GLN 15 5.628 3.600 6.383 106 1HE2 GLN 15 HE21 GLN 15 6.374 0.957 8.417 107 2HE2 GLN 15 HE22 GLN 15 5.362 1.431 9.734 108 H LEU 16 HN LEU 16 4.568 0.318 2.951 109 HA LEU 16 HA LEU 16 1.771 -0.154 2.618 110 1HB LEU 16 HB2 LEU 16 3.389 0.799 0.886 111 2HB LEU 16 HB1 LEU 16 4.023 -0.838 0.687 112 HG LEU 16 HG LEU 16 1.750 -1.609 0.078 113 1HD1 LEU 16 HD11 LEU 16 -0.001 0.035 -0.417 114 2HD1 LEU 16 HD12 LEU 16 1.075 1.333 0.113 115 3HD1 LEU 16 HD13 LEU 16 0.492 0.157 1.255 116 1HD2 LEU 16 HD21 LEU 16 1.657 -0.195 -2.120 117 2HD2 LEU 16 HD22 LEU 16 3.031 -1.220 -1.762 118 3HD2 LEU 16 HD23 LEU 16 3.151 0.517 -1.494 119 H GLU 17 HN GLU 17 4.570 -2.189 3.155 120 HA GLU 17 HA GLU 17 3.559 -4.654 2.227 121 1HB GLU 17 HB2 GLU 17 5.878 -3.908 3.409 122 2HB GLU 17 HB1 GLU 17 5.094 -4.641 4.814 123 1HG GLU 17 HG2 GLU 17 4.582 -6.539 2.901 124 2HG GLU 17 HG1 GLU 17 6.123 -5.873 2.332 125 H ASN 18 HN ASN 18 2.721 -2.752 5.034 126 HA ASN 18 HA ASN 18 1.383 -4.915 6.428 127 1HB ASN 18 HB2 ASN 18 2.243 -2.405 7.158 128 2HB ASN 18 HB1 ASN 18 0.512 -2.110 6.974 129 1HD2 ASN 18 HD21 ASN 18 2.906 -3.483 9.019 130 2HD2 ASN 18 HD22 ASN 18 1.808 -4.190 10.149 131 H TYR 19 HN TYR 19 0.635 -3.339 3.578 132 HA TYR 19 HA TYR 19 -2.270 -3.219 4.015 133 1HB TYR 19 HB2 TYR 19 -0.454 -2.569 1.700 134 2HB TYR 19 HB1 TYR 19 -2.194 -2.590 1.505 135 HD1 TYR 19 HD1 TYR 19 -1.064 -1.608 4.816 136 HD2 TYR 19 HD2 TYR 19 -1.830 -0.144 0.848 137 HE1 TYR 19 HE1 TYR 19 -1.141 0.660 5.695 138 HE2 TYR 19 HE2 TYR 19 -1.902 2.150 1.741 139 HH TYR 19 HH TYR 19 -2.398 3.262 3.982 140 H CYS 20 HN CYS 20 0.134 -5.417 2.808 141 HA CYS 20 HA CYS 20 -1.755 -6.908 1.173 142 1HB CYS 20 HB2 CYS 20 0.018 -8.197 0.603 143 2HB CYS 20 HB1 CYS 20 0.880 -6.756 1.005 144 H ASN 21 HN ASN 21 -2.695 -8.912 1.681 145 HA ASN 21 HA ASN 21 -3.924 -9.327 4.045 146 1HB ASN 21 HB2 ASN 21 -4.252 -10.786 2.097 147 2HB ASN 21 HB1 ASN 21 -2.697 -11.567 2.388 148 1HD2 ASN 21 HD21 ASN 21 -5.376 -12.829 2.439 149 2HD2 ASN 21 HD22 ASN 21 -5.542 -13.461 4.038 150 1H PHE 1 HT1 PHE 1 14.084 4.312 -6.188 151 2H PHE 1 HT2 PHE 1 13.311 2.789 -6.307 152 3H PHE 1 HT3 PHE 1 14.139 3.221 -4.863 153 HA PHE 1 HA PHE 1 11.735 4.545 -5.976 154 1HB PHE 1 HB2 PHE 1 12.148 2.231 -4.200 155 2HB PHE 1 HB1 PHE 1 11.182 3.489 -3.418 156 HD1 PHE 1 HD1 PHE 1 11.463 1.482 -6.560 157 HD2 PHE 1 HD2 PHE 1 8.921 3.793 -3.972 158 HE1 PHE 1 HE1 PHE 1 9.482 0.797 -7.891 159 HE2 PHE 1 HE2 PHE 1 6.943 3.106 -5.304 160 HZ PHE 1 HZ PHE 1 7.222 1.610 -7.262 161 H VAL 2 HN VAL 2 11.017 6.339 -4.728 162 HA VAL 2 HA VAL 2 12.947 7.296 -2.628 163 HB VAL 2 HB VAL 2 13.042 9.414 -3.567 164 1HG1 VAL 2 HG11 VAL 2 13.476 9.192 -5.912 165 2HG1 VAL 2 HG12 VAL 2 12.428 7.784 -6.053 166 3HG1 VAL 2 HG13 VAL 2 13.950 7.673 -5.161 167 1HG2 VAL 2 HG21 VAL 2 11.287 10.099 -5.365 168 2HG2 VAL 2 HG22 VAL 2 10.783 10.107 -3.697 169 3HG2 VAL 2 HG23 VAL 2 10.327 8.762 -4.748 170 H ASN 3 HN ASN 3 11.578 9.515 -1.798 171 HA ASN 3 HA ASN 3 9.280 8.271 -0.443 172 1HB ASN 3 HB2 ASN 3 10.970 10.687 -0.096 173 2HB ASN 3 HB1 ASN 3 9.276 10.947 0.308 174 1HD2 ASN 3 HD21 ASN 3 8.949 10.621 2.466 175 2HD2 ASN 3 HD22 ASN 3 9.724 9.390 3.398 176 H GLN 4 HN GLN 4 8.105 7.983 -2.543 177 HA GLN 4 HA GLN 4 6.919 10.539 -3.551 178 1HB GLN 4 HB2 GLN 4 7.726 8.019 -4.793 179 2HB GLN 4 HB1 GLN 4 6.032 8.377 -5.149 180 1HG GLN 4 HG2 GLN 4 7.018 10.824 -5.610 181 2HG GLN 4 HG1 GLN 4 8.496 9.886 -5.893 182 1HE2 GLN 4 HE21 GLN 4 5.058 10.074 -6.866 183 2HE2 GLN 4 HE22 GLN 4 5.336 9.402 -8.432 184 H ALA 5 HN ALA 5 4.595 10.651 -3.846 185 HA ALA 5 HA ALA 5 3.081 9.668 -1.635 186 1HB ALA 5 HB1 ALA 5 2.091 10.531 -4.378 187 2HB ALA 5 HB2 ALA 5 2.348 11.589 -2.992 188 3HB ALA 5 HB3 ALA 5 1.086 10.361 -2.935 189 H LEU 6 HN LEU 6 0.954 8.271 -2.177 190 HA LEU 6 HA LEU 6 1.618 6.182 -4.148 191 1HB LEU 6 HB2 LEU 6 2.093 5.761 -1.395 192 2HB LEU 6 HB1 LEU 6 0.599 4.898 -1.776 193 HG LEU 6 HG LEU 6 2.008 4.224 -3.989 194 1HD1 LEU 6 HD11 LEU 6 4.302 3.713 -3.285 195 2HD1 LEU 6 HD12 LEU 6 4.027 4.542 -1.753 196 3HD1 LEU 6 HD13 LEU 6 4.000 5.441 -3.265 197 1HD2 LEU 6 HD21 LEU 6 0.958 2.644 -2.651 198 2HD2 LEU 6 HD22 LEU 6 1.958 2.908 -1.271 199 3HD2 LEU 6 HD23 LEU 6 2.597 2.141 -2.727 200 H CYS 7 HN CYS 7 -0.027 6.391 -5.404 201 HA CYS 7 HA CYS 7 -2.749 5.879 -4.309 202 1HB CYS 7 HB2 CYS 7 -2.340 8.051 -6.381 203 2HB CYS 7 HB1 CYS 7 -3.717 7.781 -5.301 204 H GLY 8 HN GLY 8 -4.287 5.373 -6.154 205 1HA GLY 8 HA2 GLY 8 -4.796 4.099 -8.045 206 2HA GLY 8 HA1 GLY 8 -3.398 4.858 -8.801 207 H SER 9 HN SER 9 -3.035 2.755 -9.839 208 HA SER 9 HA SER 9 -2.594 0.327 -8.491 209 1HB SER 9 HB2 SER 9 -1.350 1.444 -11.008 210 2HB SER 9 HB1 SER 9 -1.086 -0.222 -10.474 211 HG SER 9 HG SER 9 -2.905 0.180 -11.976 212 H ASP 10 HN ASP 10 -0.642 3.182 -8.527 213 HA ASP 10 HA ASP 10 1.928 2.254 -8.158 214 1HB ASP 10 HB2 ASP 10 0.823 4.343 -6.261 215 2HB ASP 10 HB1 ASP 10 2.420 4.261 -7.018 216 H LEU 11 HN LEU 11 -0.773 2.101 -5.854 217 HA LEU 11 HA LEU 11 0.858 1.090 -3.687 218 1HB LEU 11 HB2 LEU 11 -2.115 0.850 -4.207 219 2HB LEU 11 HB1 LEU 11 -1.333 0.409 -2.687 220 HG LEU 11 HG LEU 11 -0.645 3.154 -3.545 221 1HD1 LEU 11 HD11 LEU 11 -2.885 4.056 -2.928 222 2HD1 LEU 11 HD12 LEU 11 -3.520 2.412 -3.012 223 3HD1 LEU 11 HD13 LEU 11 -2.868 3.176 -4.453 224 1HD2 LEU 11 HD21 LEU 11 -1.062 3.578 -1.252 225 2HD2 LEU 11 HD22 LEU 11 -0.271 2.028 -1.291 226 3HD2 LEU 11 HD23 LEU 11 -1.995 2.112 -1.040 227 H VAL 12 HN VAL 12 -1.226 -0.396 -6.095 228 HA VAL 12 HA VAL 12 -0.766 -3.068 -5.184 229 HB VAL 12 HB VAL 12 -1.898 -3.803 -7.044 230 1HG1 VAL 12 HG11 VAL 12 -3.150 -1.984 -5.806 231 2HG1 VAL 12 HG12 VAL 12 -3.692 -2.295 -7.449 232 3HG1 VAL 12 HG13 VAL 12 -2.708 -0.889 -7.107 233 1HG2 VAL 12 HG21 VAL 12 -1.888 -2.724 -9.231 234 2HG2 VAL 12 HG22 VAL 12 -0.256 -3.092 -8.756 235 3HG2 VAL 12 HG23 VAL 12 -0.867 -1.451 -8.643 236 H GLU 13 HN GLU 13 0.787 -1.244 -7.885 237 HA GLU 13 HA GLU 13 2.705 -3.112 -8.608 238 1HB GLU 13 HB2 GLU 13 2.771 -0.094 -8.407 239 2HB GLU 13 HB1 GLU 13 4.232 -0.983 -8.875 240 1HG GLU 13 HG2 GLU 13 2.751 -2.170 -10.617 241 2HG GLU 13 HG1 GLU 13 1.563 -0.896 -10.281 242 H ALA 14 HN ALA 14 2.766 -0.900 -5.806 243 HA ALA 14 HA ALA 14 5.372 -1.902 -4.914 244 1HB ALA 14 HB1 ALA 14 3.252 -0.149 -3.681 245 2HB ALA 14 HB2 ALA 14 4.859 0.297 -4.215 246 3HB ALA 14 HB3 ALA 14 4.674 -0.669 -2.763 247 H LEU 15 HN LEU 15 2.023 -2.207 -3.815 248 HA LEU 15 HA LEU 15 2.403 -4.101 -1.799 249 1HB LEU 15 HB2 LEU 15 0.132 -3.400 -3.592 250 2HB LEU 15 HB1 LEU 15 -0.033 -4.811 -2.575 251 HG LEU 15 HG LEU 15 0.759 -2.143 -1.464 252 1HD1 LEU 15 HD11 LEU 15 -1.417 -1.926 -2.527 253 2HD1 LEU 15 HD12 LEU 15 -1.558 -1.881 -0.771 254 3HD1 LEU 15 HD13 LEU 15 -1.980 -3.353 -1.651 255 1HD2 LEU 15 HD21 LEU 15 0.883 -4.674 -0.375 256 2HD2 LEU 15 HD22 LEU 15 -0.694 -4.115 0.152 257 3HD2 LEU 15 HD23 LEU 15 0.742 -3.195 0.524 258 H TYR 16 HN TYR 16 1.103 -4.764 -5.027 259 HA TYR 16 HA TYR 16 1.221 -7.444 -5.214 260 1HB TYR 16 HB2 TYR 16 1.514 -5.241 -7.115 261 2HB TYR 16 HB1 TYR 16 2.441 -6.621 -7.639 262 HD1 TYR 16 HD1 TYR 16 -0.216 -5.221 -8.642 263 HD2 TYR 16 HD2 TYR 16 0.750 -8.840 -6.546 264 HE1 TYR 16 HE1 TYR 16 -2.271 -6.276 -9.533 265 HE2 TYR 16 HE2 TYR 16 -1.306 -9.898 -7.411 266 HH TYR 16 HH TYR 16 -3.765 -8.714 -8.362 267 H LEU 17 HN LEU 17 3.942 -5.269 -5.229 268 HA LEU 17 HA LEU 17 5.795 -7.426 -5.910 269 1HB LEU 17 HB2 LEU 17 5.882 -4.475 -5.672 270 2HB LEU 17 HB1 LEU 17 7.350 -5.291 -5.167 271 HG LEU 17 HG LEU 17 7.195 -6.668 -7.334 272 1HD1 LEU 17 HD11 LEU 17 5.642 -4.395 -8.484 273 2HD1 LEU 17 HD12 LEU 17 4.717 -5.608 -7.608 274 3HD1 LEU 17 HD13 LEU 17 5.720 -6.080 -8.965 275 1HD2 LEU 17 HD21 LEU 17 7.665 -3.677 -7.504 276 2HD2 LEU 17 HD22 LEU 17 8.275 -4.896 -8.626 277 3HD2 LEU 17 HD23 LEU 17 8.840 -4.876 -6.957 278 H VAL 18 HN VAL 18 4.408 -6.455 -3.004 279 HA VAL 18 HA VAL 18 6.803 -7.281 -1.444 280 HB VAL 18 HB VAL 18 5.312 -6.426 0.511 281 1HG1 VAL 18 HG11 VAL 18 6.400 -4.510 -1.574 282 2HG1 VAL 18 HG12 VAL 18 7.346 -5.297 -0.309 283 3HG1 VAL 18 HG13 VAL 18 6.100 -4.129 0.124 284 1HG2 VAL 18 HG21 VAL 18 3.623 -4.872 -0.043 285 2HG2 VAL 18 HG22 VAL 18 3.258 -6.277 -1.003 286 3HG2 VAL 18 HG23 VAL 18 4.070 -4.897 -1.715 287 H CYS 19 HN CYS 19 3.283 -7.985 -1.677 288 HA CYS 19 HA CYS 19 3.823 -10.428 -0.079 289 1HB CYS 19 HB2 CYS 19 1.609 -8.614 -0.242 290 2HB CYS 19 HB1 CYS 19 1.099 -10.229 -0.617 291 H GLY 20 HN GLY 20 2.324 -9.439 -3.113 292 1HA GLY 20 HA2 GLY 20 1.894 -10.580 -5.075 293 2HA GLY 20 HA1 GLY 20 3.318 -11.511 -4.644 294 H GLU 21 HN GLU 21 0.015 -11.700 -5.191 295 HA GLU 21 HA GLU 21 -1.380 -13.559 -5.220 296 1HB GLU 21 HB2 GLU 21 0.858 -15.069 -3.816 297 2HB GLU 21 HB1 GLU 21 -0.518 -15.749 -4.658 298 1HG GLU 21 HG2 GLU 21 1.177 -13.858 -6.254 299 2HG GLU 21 HG1 GLU 21 1.877 -15.417 -5.825 300 H ARG 22 HN ARG 22 -0.151 -12.126 -2.416 301 HA ARG 22 HA ARG 22 -1.529 -13.748 -0.476 302 1HB ARG 22 HB2 ARG 22 -0.651 -12.325 1.086 303 2HB ARG 22 HB1 ARG 22 0.419 -11.918 -0.246 304 1HG ARG 22 HG2 ARG 22 -2.032 -10.432 0.672 305 2HG ARG 22 HG1 ARG 22 -0.439 -9.861 0.687 306 1HD ARG 22 HD2 ARG 22 -1.019 -10.606 -1.989 307 2HD ARG 22 HD1 ARG 22 -2.322 -9.673 -1.377 308 HE ARG 22 HE ARG 22 -1.343 -8.146 -1.213 309 1HH1 ARG 22 HH21 ARG 22 -0.810 -9.840 -3.664 310 2HH1 ARG 22 HH22 ARG 22 0.543 -9.102 -4.402 311 1HH2 ARG 22 HH11 ARG 22 1.367 -7.114 -1.703 312 2HH2 ARG 22 HH12 ARG 22 1.832 -7.659 -3.261 313 H GLY 23 HN GLY 23 -2.762 -11.658 -2.847 314 1HA GLY 23 HA2 GLY 23 -4.883 -10.733 -3.128 315 2HA GLY 23 HA1 GLY 23 -5.421 -11.721 -1.761 316 H PHE 24 HN PHE 24 -4.245 -8.591 -2.698 317 HA PHE 24 HA PHE 24 -3.976 -7.759 0.130 318 1HB PHE 24 HB2 PHE 24 -3.486 -5.428 -1.100 319 2HB PHE 24 HB1 PHE 24 -2.281 -6.665 -0.902 320 HD1 PHE 24 HD1 PHE 24 -3.876 -4.556 -3.191 321 HD2 PHE 24 HD2 PHE 24 -2.159 -8.429 -2.917 322 HE1 PHE 24 HE1 PHE 24 -3.489 -4.574 -5.643 323 HE2 PHE 24 HE2 PHE 24 -1.719 -8.464 -5.303 324 HZ PHE 24 HZ PHE 24 -2.427 -6.525 -6.673 325 H PHE 25 HN PHE 25 -4.857 -5.239 0.295 326 HA PHE 25 HA PHE 25 -7.785 -5.577 -0.181 327 1HB PHE 25 HB2 PHE 25 -6.560 -5.250 2.189 328 2HB PHE 25 HB1 PHE 25 -6.702 -3.542 1.751 329 HD1 PHE 25 HD1 PHE 25 -8.655 -6.719 2.027 330 HD2 PHE 25 HD2 PHE 25 -8.754 -2.425 1.999 331 HE1 PHE 25 HE1 PHE 25 -11.048 -6.769 2.685 332 HE2 PHE 25 HE2 PHE 25 -11.143 -2.470 2.662 333 HZ PHE 25 HZ PHE 25 -12.291 -4.643 3.003 334 H TYR 26 HN TYR 26 -5.892 -4.446 -2.193 335 HA TYR 26 HA TYR 26 -6.379 -1.556 -2.116 336 1HB TYR 26 HB2 TYR 26 -4.380 -2.404 -3.258 337 2HB TYR 26 HB1 TYR 26 -5.388 -3.341 -4.377 338 HD1 TYR 26 HD1 TYR 26 -4.756 0.135 -3.147 339 HD2 TYR 26 HD2 TYR 26 -6.249 -2.343 -6.324 340 HE1 TYR 26 HE1 TYR 26 -5.037 2.143 -4.584 341 HE2 TYR 26 HE2 TYR 26 -6.534 -0.340 -7.759 342 HH TYR 26 HH TYR 26 -6.858 2.476 -6.982 343 H THR 27 HN THR 27 -8.753 -1.694 -1.892 344 HA THR 27 HA THR 27 -10.069 -2.269 -4.530 345 HB THR 27 HB THR 27 -12.131 -2.776 -3.088 346 HG1 THR 27 HG1 THR 27 -11.575 -2.014 -1.104 347 1HG2 THR 27 HG21 THR 27 -10.797 -4.525 -4.191 348 2HG2 THR 27 HG22 THR 27 -11.384 -5.058 -2.617 349 3HG2 THR 27 HG23 THR 27 -9.702 -4.566 -2.805 350 H LYS 28 HN LYS 28 -11.845 -0.915 -5.066 351 HA LYS 28 HA LYS 28 -13.022 1.138 -3.733 352 1HB LYS 28 HB2 LYS 28 -11.187 2.287 -2.953 353 2HB LYS 28 HB1 LYS 28 -10.160 1.880 -4.322 354 1HG LYS 28 HG2 LYS 28 -11.000 3.572 -5.641 355 2HG LYS 28 HG1 LYS 28 -12.540 3.661 -4.779 356 1HD LYS 28 HD2 LYS 28 -10.137 4.257 -3.128 357 2HD LYS 28 HD1 LYS 28 -10.471 5.400 -4.435 358 1HE LYS 28 HE2 LYS 28 -12.997 4.963 -3.329 359 2HE LYS 28 HE1 LYS 28 -11.912 4.955 -1.936 360 1HZ LYS 28 HZ1 LYS 28 -11.010 7.071 -2.648 361 2HZ LYS 28 HZ2 LYS 28 -12.687 7.178 -2.466 362 3HZ LYS 28 HZ3 LYS 28 -12.016 7.078 -4.014 363 HA PRO 29 HA PRO 29 -12.842 2.290 -8.395 364 1HB PRO 29 HB2 PRO 29 -11.042 0.942 -9.961 365 2HB PRO 29 HB1 PRO 29 -10.675 2.446 -9.121 366 1HG PRO 29 HG2 PRO 29 -9.798 -0.331 -8.450 367 2HG PRO 29 HG1 PRO 29 -9.002 1.211 -8.091 368 1HD PRO 29 HD2 PRO 29 -10.515 -0.357 -6.314 369 2HD PRO 29 HD1 PRO 29 -9.956 1.291 -6.045 370 H THR 30 HN THR 30 -13.579 1.129 -10.463 371 HA THR 30 HA THR 30 -13.983 -1.725 -10.415 372 HB THR 30 HB THR 30 -16.655 -0.379 -10.162 373 HG1 THR 30 HG1 THR 30 -16.492 -0.070 -8.009 374 1HG2 THR 30 HG21 THR 30 -17.154 -2.441 -8.949 375 2HG2 THR 30 HG22 THR 30 -15.456 -2.912 -9.007 376 3HG2 THR 30 HG23 THR 30 -16.396 -2.808 -10.499 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -6.726 4.686 6.079 2 2H GLY 1 HT2 GLY 1 -7.837 5.951 5.922 3 3H GLY 1 HT3 GLY 1 -6.225 6.187 5.473 4 1HA GLY 1 HA1 GLY 1 -8.160 4.359 4.159 5 2HA GLY 1 HA2 GLY 1 -7.629 5.910 3.527 6 H ILE 2 HN ILE 2 -7.327 2.871 2.817 7 HA ILE 2 HA ILE 2 -4.563 2.293 2.817 8 HB ILE 2 HB ILE 2 -6.940 1.285 1.300 9 1HG1 ILE 2 HG12 ILE 2 -6.311 -0.821 2.286 10 2HG1 ILE 2 HG11 ILE 2 -4.781 -0.169 2.826 11 1HG2 ILE 2 HG21 ILE 2 -5.623 1.157 -0.552 12 2HG2 ILE 2 HG22 ILE 2 -5.195 -0.358 0.212 13 3HG2 ILE 2 HG23 ILE 2 -4.131 1.017 0.348 14 1HD1 ILE 2 HD11 ILE 2 -6.533 -0.428 4.578 15 2HD1 ILE 2 HD12 ILE 2 -7.416 0.878 3.789 16 3HD1 ILE 2 HD13 ILE 2 -5.811 1.174 4.463 17 H VAL 3 HN VAL 3 -6.540 3.176 -0.002 18 HA VAL 3 HA VAL 3 -4.348 3.821 -1.630 19 HB VAL 3 HB VAL 3 -7.092 3.589 -2.019 20 1HG1 VAL 3 HG11 VAL 3 -7.543 5.895 -1.439 21 2HG1 VAL 3 HG12 VAL 3 -7.794 5.636 -3.148 22 3HG1 VAL 3 HG13 VAL 3 -6.342 6.460 -2.605 23 1HG2 VAL 3 HG21 VAL 3 -6.574 3.967 -4.377 24 2HG2 VAL 3 HG22 VAL 3 -5.398 2.952 -3.569 25 3HG2 VAL 3 HG23 VAL 3 -5.016 4.640 -3.915 26 H GLU 4 HN GLU 4 -6.496 5.913 0.271 27 HA GLU 4 HA GLU 4 -5.450 8.382 -0.454 28 1HB GLU 4 HB2 GLU 4 -6.514 7.535 2.246 29 2HB GLU 4 HB1 GLU 4 -6.316 9.199 1.703 30 1HG GLU 4 HG2 GLU 4 -7.860 7.951 -0.285 31 2HG GLU 4 HG1 GLU 4 -8.472 7.333 1.248 32 H GLN 5 HN GLN 5 -4.156 5.956 1.717 33 HA GLN 5 HA GLN 5 -2.312 7.587 3.082 34 1HB GLN 5 HB2 GLN 5 -2.868 4.746 2.841 35 2HB GLN 5 HB1 GLN 5 -1.150 5.013 2.832 36 1HG GLN 5 HG2 GLN 5 -2.157 6.632 4.902 37 2HG GLN 5 HG1 GLN 5 -2.998 5.089 5.002 38 1HE2 GLN 5 HE21 GLN 5 0.170 6.623 4.960 39 2HE2 GLN 5 HE22 GLN 5 0.988 5.328 5.759 40 H CYS 6 HN CYS 6 -1.305 5.096 0.755 41 HA CYS 6 HA CYS 6 1.141 6.261 0.160 42 1HB CYS 6 HB2 CYS 6 -0.597 4.513 -1.565 43 2HB CYS 6 HB1 CYS 6 1.102 4.794 -1.861 44 H CYS 7 HN CYS 7 -2.030 7.007 -1.011 45 HA CYS 7 HA CYS 7 -1.113 8.543 -3.256 46 1HB CYS 7 HB2 CYS 7 -3.362 7.374 -3.090 47 2HB CYS 7 HB1 CYS 7 -3.852 8.624 -1.951 48 H THR 8 HN THR 8 -1.602 10.876 -3.495 49 HA THR 8 HA THR 8 -1.256 13.012 -2.860 50 HB THR 8 HB THR 8 -2.580 13.841 -1.124 51 HG1 THR 8 HG1 THR 8 -2.022 12.915 0.715 52 1HG2 THR 8 HG21 THR 8 -3.951 11.215 -1.609 53 2HG2 THR 8 HG22 THR 8 -3.929 12.530 -2.785 54 3HG2 THR 8 HG23 THR 8 -4.675 12.768 -1.206 55 H SER 9 HN SER 9 0.749 10.886 -2.147 56 HA SER 9 HA SER 9 2.634 12.496 -0.873 57 1HB SER 9 HB2 SER 9 0.872 11.510 1.026 58 2HB SER 9 HB1 SER 9 2.152 10.315 1.053 59 HG SER 9 HG SER 9 2.304 13.077 1.577 60 H ILE 10 HN ILE 10 4.400 10.786 0.169 61 HA ILE 10 HA ILE 10 4.872 8.898 -2.051 62 HB ILE 10 HB ILE 10 7.266 9.001 -0.656 63 1HG1 ILE 10 HG12 ILE 10 6.379 10.944 0.666 64 2HG1 ILE 10 HG11 ILE 10 7.816 11.302 -0.277 65 1HG2 ILE 10 HG21 ILE 10 7.739 10.737 -2.608 66 2HG2 ILE 10 HG22 ILE 10 6.208 10.118 -3.186 67 3HG2 ILE 10 HG23 ILE 10 7.546 9.007 -2.871 68 1HD1 ILE 10 HD11 ILE 10 5.509 11.915 -1.873 69 2HD1 ILE 10 HD12 ILE 10 6.791 12.960 -1.281 70 3HD1 ILE 10 HD13 ILE 10 5.374 12.666 -0.285 71 H CYS 11 HN CYS 11 4.409 6.872 -1.633 72 HA CYS 11 HA CYS 11 4.320 5.961 1.138 73 1HB CYS 11 HB2 CYS 11 2.689 5.480 -0.902 74 2HB CYS 11 HB1 CYS 11 3.720 4.100 -1.122 75 H SER 12 HN SER 12 5.537 4.353 2.005 76 HA SER 12 HA SER 12 7.969 3.609 0.509 77 1HB SER 12 HB2 SER 12 7.336 4.076 3.363 78 2HB SER 12 HB1 SER 12 8.408 2.713 3.048 79 HG SER 12 HG SER 12 9.439 4.803 3.327 80 H LEU 13 HN LEU 13 8.222 1.569 -0.156 81 HA LEU 13 HA LEU 13 6.225 -0.275 -0.370 82 1HB LEU 13 HB2 LEU 13 9.196 -0.578 -0.299 83 2HB LEU 13 HB1 LEU 13 8.178 -2.005 -0.451 84 HG LEU 13 HG LEU 13 7.226 -1.197 -2.496 85 1HD1 LEU 13 HD11 LEU 13 8.771 1.308 -1.970 86 2HD1 LEU 13 HD12 LEU 13 7.018 1.131 -2.067 87 3HD1 LEU 13 HD13 LEU 13 7.998 0.923 -3.501 88 1HD2 LEU 13 HD21 LEU 13 9.462 -2.329 -2.537 89 2HD2 LEU 13 HD22 LEU 13 10.194 -0.728 -2.644 90 3HD2 LEU 13 HD23 LEU 13 9.114 -1.301 -3.920 91 H TYR 14 HN TYR 14 8.382 0.194 2.334 92 HA TYR 14 HA TYR 14 7.852 -2.143 3.763 93 1HB TYR 14 HB2 TYR 14 9.602 -0.557 4.406 94 2HB TYR 14 HB1 TYR 14 8.386 0.656 4.798 95 HD1 TYR 14 HD1 TYR 14 8.928 -2.968 5.611 96 HD2 TYR 14 HD2 TYR 14 8.139 0.951 7.085 97 HE1 TYR 14 HE1 TYR 14 8.836 -3.852 7.902 98 HE2 TYR 14 HE2 TYR 14 8.045 0.072 9.377 99 HH TYR 14 HH TYR 14 7.497 -2.759 10.245 100 H GLN 15 HN GLN 15 6.060 0.846 3.412 101 HA GLN 15 HA GLN 15 4.025 0.072 5.320 102 1HB GLN 15 HB2 GLN 15 3.904 2.371 3.359 103 2HB GLN 15 HB1 GLN 15 3.016 2.167 4.867 104 1HG GLN 15 HG2 GLN 15 5.576 2.113 5.778 105 2HG GLN 15 HG1 GLN 15 5.744 3.144 4.361 106 1HE2 GLN 15 HE21 GLN 15 3.664 4.712 4.242 107 2HE2 GLN 15 HE22 GLN 15 3.441 5.602 5.705 108 H LEU 16 HN LEU 16 4.600 0.071 1.875 109 HA LEU 16 HA LEU 16 1.945 -0.466 1.066 110 1HB LEU 16 HB2 LEU 16 4.144 0.239 -0.269 111 2HB LEU 16 HB1 LEU 16 4.282 -1.494 -0.498 112 HG LEU 16 HG LEU 16 1.867 -1.382 -1.391 113 1HD1 LEU 16 HD11 LEU 16 1.252 0.808 -2.345 114 2HD1 LEU 16 HD12 LEU 16 2.580 1.540 -1.445 115 3HD1 LEU 16 HD13 LEU 16 1.244 0.752 -0.592 116 1HD2 LEU 16 HD21 LEU 16 2.615 -0.788 -3.606 117 2HD2 LEU 16 HD22 LEU 16 3.844 -1.738 -2.771 118 3HD2 LEU 16 HD23 LEU 16 4.049 0.002 -2.944 119 H GLU 17 HN GLU 17 4.403 -2.397 2.552 120 HA GLU 17 HA GLU 17 3.464 -4.916 1.610 121 1HB GLU 17 HB2 GLU 17 5.048 -5.888 3.002 122 2HB GLU 17 HB1 GLU 17 5.779 -4.371 2.527 123 1HG GLU 17 HG2 GLU 17 6.170 -4.007 4.660 124 2HG GLU 17 HG1 GLU 17 4.451 -3.682 4.860 125 H ASN 18 HN ASN 18 2.291 -2.660 3.859 126 HA ASN 18 HA ASN 18 1.061 -4.510 5.669 127 1HB ASN 18 HB2 ASN 18 1.724 -2.238 6.354 128 2HB ASN 18 HB1 ASN 18 0.546 -1.557 5.239 129 1HD2 ASN 18 HD21 ASN 18 -1.382 -1.075 6.073 130 2HD2 ASN 18 HD22 ASN 18 -2.032 -1.750 7.523 131 H TYR 19 HN TYR 19 0.407 -3.930 2.494 132 HA TYR 19 HA TYR 19 -2.514 -4.065 2.800 133 1HB TYR 19 HB2 TYR 19 -0.757 -3.460 0.423 134 2HB TYR 19 HB1 TYR 19 -2.508 -3.597 0.338 135 HD1 TYR 19 HD1 TYR 19 -1.267 -1.195 -0.657 136 HD2 TYR 19 HD2 TYR 19 -2.376 -2.144 3.354 137 HE1 TYR 19 HE1 TYR 19 -1.475 1.196 -0.137 138 HE2 TYR 19 HE2 TYR 19 -2.581 0.226 3.866 139 HH TYR 19 HH TYR 19 -1.318 2.521 2.530 140 H CYS 20 HN CYS 20 0.248 -5.949 2.068 141 HA CYS 20 HA CYS 20 -0.978 -7.883 0.392 142 1HB CYS 20 HB2 CYS 20 1.381 -8.462 2.166 143 2HB CYS 20 HB1 CYS 20 0.992 -9.108 0.581 144 H ASN 21 HN ASN 21 -2.599 -9.169 1.010 145 HA ASN 21 HA ASN 21 -3.396 -9.616 3.661 146 1HB ASN 21 HB2 ASN 21 -4.873 -9.909 1.700 147 2HB ASN 21 HB1 ASN 21 -3.958 -11.340 1.237 148 1HD2 ASN 21 HD21 ASN 21 -5.272 -13.015 1.563 149 2HD2 ASN 21 HD22 ASN 21 -6.130 -13.320 3.029 150 1H PHE 1 HT1 PHE 1 9.379 4.008 -2.250 151 2H PHE 1 HT2 PHE 1 9.320 2.551 -3.089 152 3H PHE 1 HT3 PHE 1 9.347 3.991 -3.950 153 HA PHE 1 HA PHE 1 11.434 3.060 -2.104 154 1HB PHE 1 HB2 PHE 1 12.562 2.838 -4.598 155 2HB PHE 1 HB1 PHE 1 11.894 1.511 -3.663 156 HD1 PHE 1 HD1 PHE 1 10.911 4.053 -6.188 157 HD2 PHE 1 HD2 PHE 1 10.219 0.216 -4.587 158 HE1 PHE 1 HE1 PHE 1 9.315 3.627 -7.987 159 HE2 PHE 1 HE2 PHE 1 8.595 -0.252 -6.369 160 HZ PHE 1 HZ PHE 1 8.148 1.460 -8.083 161 H VAL 2 HN VAL 2 10.383 5.242 -4.691 162 HA VAL 2 HA VAL 2 12.596 7.072 -4.049 163 HB VAL 2 HB VAL 2 12.405 7.985 -6.204 164 1HG1 VAL 2 HG11 VAL 2 13.308 6.294 -7.272 165 2HG1 VAL 2 HG12 VAL 2 11.817 5.375 -7.304 166 3HG1 VAL 2 HG13 VAL 2 12.895 5.264 -5.914 167 1HG2 VAL 2 HG21 VAL 2 10.170 8.385 -6.654 168 2HG2 VAL 2 HG22 VAL 2 9.684 6.752 -6.214 169 3HG2 VAL 2 HG23 VAL 2 10.487 7.054 -7.746 170 H ASN 3 HN ASN 3 11.373 9.362 -5.211 171 HA ASN 3 HA ASN 3 9.496 10.023 -3.100 172 1HB ASN 3 HB2 ASN 3 11.059 11.668 -5.078 173 2HB ASN 3 HB1 ASN 3 9.798 12.372 -4.068 174 1HD2 ASN 3 HD21 ASN 3 12.188 13.448 -3.793 175 2HD2 ASN 3 HD22 ASN 3 12.934 12.937 -2.321 176 H GLN 4 HN GLN 4 8.461 8.232 -4.943 177 HA GLN 4 HA GLN 4 6.829 9.804 -6.797 178 1HB GLN 4 HB2 GLN 4 7.811 7.009 -6.703 179 2HB GLN 4 HB1 GLN 4 6.183 7.209 -7.291 180 1HG GLN 4 HG2 GLN 4 7.003 8.865 -8.929 181 2HG GLN 4 HG1 GLN 4 8.648 8.505 -8.412 182 1HE2 GLN 4 HE21 GLN 4 5.707 6.997 -9.699 183 2HE2 GLN 4 HE22 GLN 4 6.537 5.779 -10.599 184 H ALA 5 HN ALA 5 4.610 9.799 -6.745 185 HA ALA 5 HA ALA 5 3.382 9.354 -4.199 186 1HB ALA 5 HB1 ALA 5 1.887 9.823 -6.767 187 2HB ALA 5 HB2 ALA 5 2.735 11.115 -5.921 188 3HB ALA 5 HB3 ALA 5 1.424 10.263 -5.121 189 H LEU 6 HN LEU 6 0.889 8.332 -4.765 190 HA LEU 6 HA LEU 6 1.047 5.978 -6.298 191 1HB LEU 6 HB2 LEU 6 2.068 5.713 -3.687 192 2HB LEU 6 HB1 LEU 6 0.482 4.974 -3.692 193 HG LEU 6 HG LEU 6 1.295 3.848 -5.906 194 1HD1 LEU 6 HD11 LEU 6 3.818 4.811 -4.635 195 2HD1 LEU 6 HD12 LEU 6 3.366 4.681 -6.339 196 3HD1 LEU 6 HD13 LEU 6 3.794 3.243 -5.440 197 1HD2 LEU 6 HD21 LEU 6 1.891 3.073 -3.090 198 2HD2 LEU 6 HD22 LEU 6 2.297 2.019 -4.445 199 3HD2 LEU 6 HD23 LEU 6 0.683 2.523 -4.190 200 H CYS 7 HN CYS 7 -0.783 6.095 -7.170 201 HA CYS 7 HA CYS 7 -3.209 5.808 -5.622 202 1HB CYS 7 HB2 CYS 7 -3.228 8.009 -7.676 203 2HB CYS 7 HB1 CYS 7 -4.338 7.710 -6.346 204 H GLY 8 HN GLY 8 -4.686 4.579 -6.687 205 1HA GLY 8 HA2 GLY 8 -5.716 3.477 -8.410 206 2HA GLY 8 HA1 GLY 8 -4.821 4.454 -9.545 207 H SER 9 HN SER 9 -3.567 3.304 -10.847 208 HA SER 9 HA SER 9 -2.977 0.580 -10.371 209 1HB SER 9 HB2 SER 9 -1.397 2.016 -12.427 210 2HB SER 9 HB1 SER 9 -2.303 0.505 -12.528 211 HG SER 9 HG SER 9 -3.193 2.340 -13.704 212 H ASP 10 HN ASP 10 -1.185 3.567 -9.924 213 HA ASP 10 HA ASP 10 1.410 2.692 -9.757 214 1HB ASP 10 HB2 ASP 10 -0.124 4.828 -8.347 215 2HB ASP 10 HB1 ASP 10 1.509 4.493 -7.799 216 H LEU 11 HN LEU 11 -1.192 2.134 -7.483 217 HA LEU 11 HA LEU 11 0.528 1.160 -5.419 218 1HB LEU 11 HB2 LEU 11 -2.425 0.919 -5.850 219 2HB LEU 11 HB1 LEU 11 -1.608 0.321 -4.417 220 HG LEU 11 HG LEU 11 -1.155 3.190 -5.086 221 1HD1 LEU 11 HD11 LEU 11 -3.771 2.193 -4.021 222 2HD1 LEU 11 HD12 LEU 11 -3.516 2.961 -5.592 223 3HD1 LEU 11 HD13 LEU 11 -3.237 3.874 -4.109 224 1HD2 LEU 11 HD21 LEU 11 -0.702 3.342 -2.924 225 2HD2 LEU 11 HD22 LEU 11 -0.540 1.604 -2.949 226 3HD2 LEU 11 HD23 LEU 11 -2.035 2.345 -2.404 227 H VAL 12 HN VAL 12 -1.993 -0.596 -7.182 228 HA VAL 12 HA VAL 12 -1.279 -3.133 -6.624 229 HB VAL 12 HB VAL 12 -1.971 -3.720 -9.028 230 1HG1 VAL 12 HG11 VAL 12 -3.496 -3.652 -7.049 231 2HG1 VAL 12 HG12 VAL 12 -4.275 -3.308 -8.595 232 3HG1 VAL 12 HG13 VAL 12 -3.872 -1.994 -7.500 233 1HG2 VAL 12 HG21 VAL 12 -2.375 -0.741 -9.113 234 2HG2 VAL 12 HG22 VAL 12 -3.075 -1.867 -10.251 235 3HG2 VAL 12 HG23 VAL 12 -1.339 -1.695 -10.162 236 H GLU 13 HN GLU 13 0.244 -1.130 -9.142 237 HA GLU 13 HA GLU 13 2.008 -3.053 -10.113 238 1HB GLU 13 HB2 GLU 13 2.117 -0.067 -10.008 239 2HB GLU 13 HB1 GLU 13 3.421 -1.014 -10.716 240 1HG GLU 13 HG2 GLU 13 1.265 -2.050 -12.018 241 2HG GLU 13 HG1 GLU 13 0.726 -0.412 -11.724 242 H ALA 14 HN ALA 14 2.472 -0.617 -7.599 243 HA ALA 14 HA ALA 14 5.069 -1.689 -6.888 244 1HB ALA 14 HB1 ALA 14 4.594 0.701 -6.684 245 2HB ALA 14 HB2 ALA 14 5.054 -0.003 -5.135 246 3HB ALA 14 HB3 ALA 14 3.359 0.359 -5.474 247 H LEU 15 HN LEU 15 1.831 -2.403 -6.129 248 HA LEU 15 HA LEU 15 2.334 -3.427 -3.540 249 1HB LEU 15 HB2 LEU 15 0.066 -2.604 -4.934 250 2HB LEU 15 HB1 LEU 15 -0.166 -4.273 -4.672 251 HG LEU 15 HG LEU 15 0.012 -2.047 -2.706 252 1HD1 LEU 15 HD11 LEU 15 -1.944 -4.042 -3.554 253 2HD1 LEU 15 HD12 LEU 15 -2.150 -2.461 -2.881 254 3HD1 LEU 15 HD13 LEU 15 -1.850 -3.813 -1.818 255 1HD2 LEU 15 HD21 LEU 15 1.397 -4.494 -2.296 256 2HD2 LEU 15 HD22 LEU 15 -0.013 -4.528 -1.285 257 3HD2 LEU 15 HD23 LEU 15 1.107 -3.199 -1.191 258 H TYR 16 HN TYR 16 1.005 -5.016 -6.500 259 HA TYR 16 HA TYR 16 1.416 -7.592 -5.500 260 1HB TYR 16 HB2 TYR 16 1.342 -8.383 -7.855 261 2HB TYR 16 HB1 TYR 16 -0.012 -7.426 -7.372 262 HD1 TYR 16 HD1 TYR 16 -0.785 -5.868 -8.891 263 HD2 TYR 16 HD2 TYR 16 3.307 -7.002 -9.034 264 HE1 TYR 16 HE1 TYR 16 -0.494 -4.533 -10.924 265 HE2 TYR 16 HE2 TYR 16 3.598 -5.658 -11.085 266 HH TYR 16 HH TYR 16 2.538 -3.715 -12.192 267 H LEU 17 HN LEU 17 3.713 -5.310 -6.648 268 HA LEU 17 HA LEU 17 5.730 -7.242 -7.323 269 1HB LEU 17 HB2 LEU 17 5.450 -4.334 -7.333 270 2HB LEU 17 HB1 LEU 17 6.997 -4.820 -6.699 271 HG LEU 17 HG LEU 17 7.500 -6.065 -8.713 272 1HD1 LEU 17 HD11 LEU 17 4.801 -5.161 -9.604 273 2HD1 LEU 17 HD12 LEU 17 5.295 -6.827 -9.332 274 3HD1 LEU 17 HD13 LEU 17 5.978 -5.908 -10.664 275 1HD2 LEU 17 HD21 LEU 17 7.685 -4.192 -10.265 276 2HD2 LEU 17 HD22 LEU 17 8.080 -3.689 -8.622 277 3HD2 LEU 17 HD23 LEU 17 6.511 -3.275 -9.317 278 H VAL 18 HN VAL 18 4.843 -5.339 -4.517 279 HA VAL 18 HA VAL 18 7.115 -6.171 -2.943 280 HB VAL 18 HB VAL 18 5.798 -5.149 -1.023 281 1HG1 VAL 18 HG11 VAL 18 7.492 -3.888 -2.118 282 2HG1 VAL 18 HG12 VAL 18 6.109 -2.836 -1.831 283 3HG1 VAL 18 HG13 VAL 18 6.415 -3.476 -3.446 284 1HG2 VAL 18 HG21 VAL 18 3.890 -3.746 -1.589 285 2HG2 VAL 18 HG22 VAL 18 3.561 -5.413 -1.940 286 3HG2 VAL 18 HG23 VAL 18 3.966 -4.321 -3.218 287 H CYS 19 HN CYS 19 3.713 -7.071 -3.189 288 HA CYS 19 HA CYS 19 3.859 -8.957 -1.008 289 1HB CYS 19 HB2 CYS 19 1.689 -8.776 -3.101 290 2HB CYS 19 HB1 CYS 19 1.576 -9.385 -1.468 291 H GLY 20 HN GLY 20 3.232 -9.294 -4.512 292 1HA GLY 20 HA2 GLY 20 3.612 -11.028 -5.942 293 2HA GLY 20 HA1 GLY 20 5.089 -11.272 -5.025 294 H GLU 21 HN GLU 21 1.784 -12.294 -5.486 295 HA GLU 21 HA GLU 21 0.826 -14.326 -5.128 296 1HB GLU 21 HB2 GLU 21 3.265 -15.250 -3.608 297 2HB GLU 21 HB1 GLU 21 2.054 -16.208 -4.435 298 1HG GLU 21 HG2 GLU 21 3.037 -16.057 -6.404 299 2HG GLU 21 HG1 GLU 21 3.469 -14.370 -6.240 300 H ARG 22 HN ARG 22 1.636 -12.104 -2.817 301 HA ARG 22 HA ARG 22 0.597 -13.614 -0.550 302 1HB ARG 22 HB2 ARG 22 2.170 -11.160 -0.934 303 2HB ARG 22 HB1 ARG 22 0.941 -11.028 0.314 304 1HG ARG 22 HG2 ARG 22 1.851 -12.982 1.430 305 2HG ARG 22 HG1 ARG 22 3.079 -13.137 0.172 306 1HD ARG 22 HD2 ARG 22 2.859 -10.504 1.560 307 2HD ARG 22 HD1 ARG 22 3.499 -11.870 2.472 308 HE ARG 22 HE ARG 22 4.745 -11.608 -0.094 309 1HH1 ARG 22 HH11 ARG 22 4.759 -10.357 3.192 310 2HH1 ARG 22 HH12 ARG 22 6.407 -9.864 3.108 311 1HH2 ARG 22 HH21 ARG 22 6.918 -10.940 -0.175 312 2HH2 ARG 22 HH22 ARG 22 7.636 -10.184 1.208 313 H GLY 23 HN GLY 23 -0.738 -11.939 -3.115 314 1HA GLY 23 HA2 GLY 23 -2.786 -11.042 -3.505 315 2HA GLY 23 HA1 GLY 23 -3.328 -12.025 -2.155 316 H PHE 24 HN PHE 24 -2.708 -8.867 -3.257 317 HA PHE 24 HA PHE 24 -2.612 -7.678 -0.605 318 1HB PHE 24 HB2 PHE 24 -2.703 -5.526 -1.921 319 2HB PHE 24 HB1 PHE 24 -1.304 -6.532 -2.169 320 HD1 PHE 24 HD1 PHE 24 -0.568 -6.188 -4.319 321 HD2 PHE 24 HD2 PHE 24 -4.749 -6.646 -3.662 322 HE1 PHE 24 HE1 PHE 24 -0.989 -6.056 -6.729 323 HE2 PHE 24 HE2 PHE 24 -5.149 -6.578 -6.061 324 HZ PHE 24 HZ PHE 24 -3.262 -6.289 -7.616 325 H PHE 25 HN PHE 25 -4.082 -5.576 -0.459 326 HA PHE 25 HA PHE 25 -6.835 -6.596 -0.605 327 1HB PHE 25 HB2 PHE 25 -5.941 -5.863 1.572 328 2HB PHE 25 HB1 PHE 25 -5.719 -4.243 0.950 329 HD1 PHE 25 HD1 PHE 25 -8.306 -6.864 1.496 330 HD2 PHE 25 HD2 PHE 25 -7.481 -2.700 1.099 331 HE1 PHE 25 HE1 PHE 25 -10.620 -6.346 2.136 332 HE2 PHE 25 HE2 PHE 25 -9.796 -2.181 1.739 333 HZ PHE 25 HZ PHE 25 -11.369 -4.003 2.259 334 H TYR 26 HN TYR 26 -5.739 -3.194 -0.631 335 HA TYR 26 HA TYR 26 -6.599 -1.456 -1.801 336 1HB TYR 26 HB2 TYR 26 -4.651 -2.184 -3.111 337 2HB TYR 26 HB1 TYR 26 -5.677 -3.271 -4.045 338 HD1 TYR 26 HD1 TYR 26 -6.575 0.185 -2.992 339 HD2 TYR 26 HD2 TYR 26 -5.355 -2.323 -6.196 340 HE1 TYR 26 HE1 TYR 26 -7.049 1.974 -4.573 341 HE2 TYR 26 HE2 TYR 26 -5.779 -0.498 -7.794 342 HH TYR 26 HH TYR 26 -7.588 1.826 -7.470 343 H THR 27 HN THR 27 -8.856 -1.951 -1.160 344 HA THR 27 HA THR 27 -10.484 -2.702 -3.522 345 HB THR 27 HB THR 27 -12.070 -3.771 -2.114 346 HG1 THR 27 HG1 THR 27 -12.188 -2.707 -0.253 347 1HG2 THR 27 HG21 THR 27 -9.379 -4.649 -1.098 348 2HG2 THR 27 HG22 THR 27 -10.084 -5.142 -2.639 349 3HG2 THR 27 HG23 THR 27 -10.870 -5.588 -1.125 350 H LYS 28 HN LYS 28 -12.844 -1.970 -3.115 351 HA LYS 28 HA LYS 28 -13.171 0.478 -1.651 352 1HB LYS 28 HB2 LYS 28 -13.626 1.901 -3.646 353 2HB LYS 28 HB1 LYS 28 -11.960 1.386 -3.519 354 1HG LYS 28 HG2 LYS 28 -12.144 0.848 -5.655 355 2HG LYS 28 HG1 LYS 28 -12.946 -0.605 -5.082 356 1HD LYS 28 HD2 LYS 28 -14.716 -0.018 -6.285 357 2HD LYS 28 HD1 LYS 28 -14.979 1.309 -5.160 358 1HE LYS 28 HE2 LYS 28 -13.368 2.660 -6.574 359 2HE LYS 28 HE1 LYS 28 -13.493 1.363 -7.764 360 1HZ LYS 28 HZ1 LYS 28 -15.759 2.982 -6.722 361 2HZ LYS 28 HZ2 LYS 28 -15.879 1.745 -7.872 362 3HZ LYS 28 HZ3 LYS 28 -15.028 3.159 -8.237 363 HA PRO 29 HA PRO 29 -17.406 -0.729 -1.743 364 1HB PRO 29 HB2 PRO 29 -18.685 1.709 -2.080 365 2HB PRO 29 HB1 PRO 29 -18.055 1.095 -0.552 366 1HG PRO 29 HG2 PRO 29 -16.810 3.022 -2.464 367 2HG PRO 29 HG1 PRO 29 -16.859 3.070 -0.692 368 1HD PRO 29 HD2 PRO 29 -14.673 2.290 -1.994 369 2HD PRO 29 HD1 PRO 29 -15.151 1.519 -0.476 370 H THR 30 HN THR 30 -19.441 -0.585 -3.060 371 HA THR 30 HA THR 30 -18.916 -1.188 -5.752 372 HB THR 30 HB THR 30 -20.896 -1.985 -4.523 373 HG1 THR 30 HG1 THR 30 -21.163 -2.127 -6.683 374 1HG2 THR 30 HG21 THR 30 -21.433 0.182 -3.383 375 2HG2 THR 30 HG22 THR 30 -22.800 -0.652 -4.115 376 3HG2 THR 30 HG23 THR 30 -22.089 0.742 -4.922 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -7.744 2.923 5.901 2 2H GLY 1 HT2 GLY 1 -8.055 4.354 6.746 3 3H GLY 1 HT3 GLY 1 -6.676 3.444 7.107 4 1HA GLY 1 HA1 GLY 1 -7.230 5.095 4.701 5 2HA GLY 1 HA2 GLY 1 -5.917 5.270 5.827 6 H ILE 2 HN ILE 2 -7.099 2.735 3.650 7 HA ILE 2 HA ILE 2 -4.442 1.702 3.194 8 HB ILE 2 HB ILE 2 -6.860 1.484 1.362 9 1HG1 ILE 2 HG12 ILE 2 -7.616 0.775 3.534 10 2HG1 ILE 2 HG11 ILE 2 -7.198 -0.709 2.676 11 1HG2 ILE 2 HG21 ILE 2 -5.778 -0.713 0.813 12 2HG2 ILE 2 HG22 ILE 2 -4.383 -0.221 1.771 13 3HG2 ILE 2 HG23 ILE 2 -4.829 0.686 0.330 14 1HD1 ILE 2 HD11 ILE 2 -4.838 -0.397 3.774 15 2HD1 ILE 2 HD12 ILE 2 -6.174 -1.006 4.733 16 3HD1 ILE 2 HD13 ILE 2 -5.700 0.678 4.874 17 H VAL 3 HN VAL 3 -6.529 3.881 1.296 18 HA VAL 3 HA VAL 3 -4.171 4.497 -0.448 19 HB VAL 3 HB VAL 3 -7.117 5.157 -0.797 20 1HG1 VAL 3 HG11 VAL 3 -6.377 5.759 -3.101 21 2HG1 VAL 3 HG12 VAL 3 -4.707 5.524 -2.602 22 3HG1 VAL 3 HG13 VAL 3 -5.676 6.813 -1.882 23 1HG2 VAL 3 HG21 VAL 3 -7.004 3.453 -2.587 24 2HG2 VAL 3 HG22 VAL 3 -6.659 2.752 -1.010 25 3HG2 VAL 3 HG23 VAL 3 -5.338 3.087 -2.132 26 H GLU 4 HN GLU 4 -6.429 5.893 1.840 27 HA GLU 4 HA GLU 4 -5.850 8.644 1.332 28 1HB GLU 4 HB2 GLU 4 -6.509 7.601 4.093 29 2HB GLU 4 HB1 GLU 4 -7.019 9.105 3.308 30 1HG GLU 4 HG2 GLU 4 -8.063 7.205 1.592 31 2HG GLU 4 HG1 GLU 4 -8.186 6.404 3.170 32 H GLN 5 HN GLN 5 -3.826 6.185 2.571 33 HA GLN 5 HA GLN 5 -2.188 8.156 4.084 34 1HB GLN 5 HB2 GLN 5 -2.769 6.115 5.305 35 2HB GLN 5 HB1 GLN 5 -2.096 5.122 4.002 36 1HG GLN 5 HG2 GLN 5 0.134 6.169 4.382 37 2HG GLN 5 HG1 GLN 5 -0.565 7.094 5.723 38 1HE2 GLN 5 HE21 GLN 5 0.720 6.048 7.337 39 2HE2 GLN 5 HE22 GLN 5 0.485 4.383 7.732 40 H CYS 6 HN CYS 6 -1.765 5.475 1.734 41 HA CYS 6 HA CYS 6 0.914 6.395 1.075 42 1HB CYS 6 HB2 CYS 6 -0.889 4.414 -0.361 43 2HB CYS 6 HB1 CYS 6 0.850 4.556 -0.596 44 H CYS 7 HN CYS 7 -2.259 7.090 -0.122 45 HA CYS 7 HA CYS 7 -1.173 8.231 -2.597 46 1HB CYS 7 HB2 CYS 7 -3.372 7.027 -2.598 47 2HB CYS 7 HB1 CYS 7 -4.023 8.306 -1.574 48 H THR 8 HN THR 8 -2.471 9.353 0.474 49 HA THR 8 HA THR 8 -2.466 12.148 -0.380 50 HB THR 8 HB THR 8 -2.915 12.644 1.994 51 HG1 THR 8 HG1 THR 8 -2.466 9.850 2.436 52 1HG2 THR 8 HG21 THR 8 -4.409 10.207 0.988 53 2HG2 THR 8 HG22 THR 8 -4.781 11.885 0.607 54 3HG2 THR 8 HG23 THR 8 -4.955 11.297 2.258 55 H SER 9 HN SER 9 -0.561 10.516 2.175 56 HA SER 9 HA SER 9 1.591 12.509 1.771 57 1HB SER 9 HB2 SER 9 0.621 10.995 3.978 58 2HB SER 9 HB1 SER 9 2.267 10.448 3.708 59 HG SER 9 HG SER 9 2.997 12.500 3.996 60 H ILE 10 HN ILE 10 3.810 10.884 2.424 61 HA ILE 10 HA ILE 10 4.081 9.366 -0.132 62 HB ILE 10 HB ILE 10 6.331 9.921 1.810 63 1HG1 ILE 10 HG12 ILE 10 5.258 12.098 1.591 64 2HG1 ILE 10 HG11 ILE 10 6.663 12.086 0.526 65 1HG2 ILE 10 HG21 ILE 10 6.422 10.107 -1.165 66 2HG2 ILE 10 HG22 ILE 10 6.418 8.512 -0.414 67 3HG2 ILE 10 HG23 ILE 10 7.648 9.680 -0.009 68 1HD1 ILE 10 HD11 ILE 10 4.087 11.178 -0.703 69 2HD1 ILE 10 HD12 ILE 10 5.431 12.070 -1.363 70 3HD1 ILE 10 HD13 ILE 10 4.280 12.873 -0.314 71 H CYS 11 HN CYS 11 3.811 7.189 -0.027 72 HA CYS 11 HA CYS 11 4.022 5.884 2.632 73 1HB CYS 11 HB2 CYS 11 2.420 5.467 0.334 74 2HB CYS 11 HB1 CYS 11 3.386 4.023 0.496 75 H SER 12 HN SER 12 5.418 4.164 3.054 76 HA SER 12 HA SER 12 7.746 3.969 1.181 77 1HB SER 12 HB2 SER 12 7.640 4.373 3.943 78 2HB SER 12 HB1 SER 12 8.037 2.659 3.800 79 HG SER 12 HG SER 12 9.901 3.992 3.740 80 H LEU 13 HN LEU 13 8.109 2.027 0.230 81 HA LEU 13 HA LEU 13 6.197 0.048 -0.148 82 1HB LEU 13 HB2 LEU 13 9.148 -0.668 0.050 83 2HB LEU 13 HB1 LEU 13 7.914 -1.405 -0.969 84 HG LEU 13 HG LEU 13 8.843 -0.054 -2.558 85 1HD1 LEU 13 HD11 LEU 13 7.258 2.197 -1.366 86 2HD1 LEU 13 HD12 LEU 13 6.468 0.782 -2.059 87 3HD1 LEU 13 HD13 LEU 13 7.530 1.766 -3.033 88 1HD2 LEU 13 HD21 LEU 13 9.590 1.877 -0.358 89 2HD2 LEU 13 HD22 LEU 13 9.935 2.127 -2.057 90 3HD2 LEU 13 HD23 LEU 13 10.649 0.768 -1.203 91 H TYR 14 HN TYR 14 8.448 0.402 2.505 92 HA TYR 14 HA TYR 14 7.995 -2.141 3.705 93 1HB TYR 14 HB2 TYR 14 9.845 -0.608 4.353 94 2HB TYR 14 HB1 TYR 14 8.665 0.523 5.035 95 HD1 TYR 14 HD1 TYR 14 9.677 -3.086 5.211 96 HD2 TYR 14 HD2 TYR 14 8.093 0.327 7.284 97 HE1 TYR 14 HE1 TYR 14 9.694 -4.370 7.336 98 HE2 TYR 14 HE2 TYR 14 8.108 -0.950 9.410 99 HH TYR 14 HH TYR 14 9.785 -3.411 10.091 100 H GLN 15 HN GLN 15 6.280 0.971 3.942 101 HA GLN 15 HA GLN 15 4.424 -0.039 5.964 102 1HB GLN 15 HB2 GLN 15 4.626 2.476 4.292 103 2HB GLN 15 HB1 GLN 15 3.144 2.134 5.191 104 1HG GLN 15 HG2 GLN 15 5.417 1.683 6.927 105 2HG GLN 15 HG1 GLN 15 5.561 3.269 6.156 106 1HE2 GLN 15 HE21 GLN 15 2.742 1.374 7.359 107 2HE2 GLN 15 HE22 GLN 15 2.134 2.681 8.309 108 H LEU 16 HN LEU 16 4.663 0.119 2.510 109 HA LEU 16 HA LEU 16 1.895 -0.370 1.969 110 1HB LEU 16 HB2 LEU 16 3.781 0.488 0.373 111 2HB LEU 16 HB1 LEU 16 4.212 -1.216 0.192 112 HG LEU 16 HG LEU 16 1.818 -1.648 -0.449 113 1HD1 LEU 16 HD11 LEU 16 0.961 0.516 0.579 114 2HD1 LEU 16 HD12 LEU 16 0.374 0.126 -1.014 115 3HD1 LEU 16 HD13 LEU 16 1.645 1.326 -0.813 116 1HD2 LEU 16 HD21 LEU 16 2.072 -0.733 -2.751 117 2HD2 LEU 16 HD22 LEU 16 3.547 -1.486 -2.140 118 3HD2 LEU 16 HD23 LEU 16 3.392 0.273 -2.147 119 H GLU 17 HN GLU 17 4.613 -2.385 2.878 120 HA GLU 17 HA GLU 17 3.637 -4.863 1.924 121 1HB GLU 17 HB2 GLU 17 5.896 -4.223 3.125 122 2HB GLU 17 HB1 GLU 17 5.039 -4.665 4.602 123 1HG GLU 17 HG2 GLU 17 4.661 -6.634 2.426 124 2HG GLU 17 HG1 GLU 17 6.357 -6.392 2.862 125 H ASN 18 HN ASN 18 2.637 -2.895 4.641 126 HA ASN 18 HA ASN 18 1.122 -5.034 5.918 127 1HB ASN 18 HB2 ASN 18 1.971 -2.423 6.636 128 2HB ASN 18 HB1 ASN 18 0.208 -2.340 6.611 129 1HD2 ASN 18 HD21 ASN 18 2.767 -3.081 8.597 130 2HD2 ASN 18 HD22 ASN 18 1.930 -4.116 9.697 131 H TYR 19 HN TYR 19 0.636 -3.745 2.989 132 HA TYR 19 HA TYR 19 -2.306 -3.403 3.292 133 1HB TYR 19 HB2 TYR 19 -0.307 -2.624 1.189 134 2HB TYR 19 HB1 TYR 19 -2.020 -2.652 0.810 135 HD1 TYR 19 HD1 TYR 19 -1.355 -1.839 4.266 136 HD2 TYR 19 HD2 TYR 19 -1.499 -0.156 0.321 137 HE1 TYR 19 HE1 TYR 19 -1.540 0.365 5.255 138 HE2 TYR 19 HE2 TYR 19 -1.712 2.076 1.324 139 HH TYR 19 HH TYR 19 -2.657 2.800 4.159 140 H CYS 20 HN CYS 20 0.094 -5.637 2.282 141 HA CYS 20 HA CYS 20 -1.430 -7.018 0.283 142 1HB CYS 20 HB2 CYS 20 0.666 -8.221 2.112 143 2HB CYS 20 HB1 CYS 20 0.183 -8.790 0.507 144 H ASN 21 HN ASN 21 -2.241 -9.340 0.702 145 HA ASN 21 HA ASN 21 -4.267 -9.281 2.718 146 1HB ASN 21 HB2 ASN 21 -3.210 -11.301 0.795 147 2HB ASN 21 HB1 ASN 21 -4.128 -11.942 2.145 148 1HD2 ASN 21 HD21 ASN 21 -4.702 -8.816 0.581 149 2HD2 ASN 21 HD22 ASN 21 -6.249 -9.226 -0.010 150 1H PHE 1 HT1 PHE 1 9.245 4.483 -5.878 151 2H PHE 1 HT2 PHE 1 9.659 2.993 -6.567 152 3H PHE 1 HT3 PHE 1 10.753 4.297 -6.661 153 HA PHE 1 HA PHE 1 9.849 3.076 -4.122 154 1HB PHE 1 HB2 PHE 1 12.002 2.343 -6.059 155 2HB PHE 1 HB1 PHE 1 12.503 2.389 -4.367 156 HD1 PHE 1 HD1 PHE 1 9.579 1.188 -6.400 157 HD2 PHE 1 HD2 PHE 1 12.294 0.442 -3.155 158 HE1 PHE 1 HE1 PHE 1 8.505 -1.003 -6.016 159 HE2 PHE 1 HE2 PHE 1 11.221 -1.766 -2.775 160 HZ PHE 1 HZ PHE 1 9.327 -2.487 -4.206 161 H VAL 2 HN VAL 2 9.793 5.825 -4.519 162 HA VAL 2 HA VAL 2 12.155 6.661 -2.888 163 HB VAL 2 HB VAL 2 12.793 8.329 -4.318 164 1HG1 VAL 2 HG11 VAL 2 12.600 7.664 -6.648 165 2HG1 VAL 2 HG12 VAL 2 11.228 6.624 -6.289 166 3HG1 VAL 2 HG13 VAL 2 12.833 6.232 -5.657 167 1HG2 VAL 2 HG21 VAL 2 11.088 9.352 -5.991 168 2HG2 VAL 2 HG22 VAL 2 10.924 9.782 -4.313 169 3HG2 VAL 2 HG23 VAL 2 9.852 8.569 -5.021 170 H ASN 3 HN ASN 3 11.508 9.261 -2.439 171 HA ASN 3 HA ASN 3 9.237 8.968 -0.686 172 1HB ASN 3 HB2 ASN 3 11.247 11.081 -1.306 173 2HB ASN 3 HB1 ASN 3 9.699 11.687 -0.719 174 1HD2 ASN 3 HD21 ASN 3 12.502 11.313 0.561 175 2HD2 ASN 3 HD22 ASN 3 12.100 10.571 2.068 176 H GLN 4 HN GLN 4 7.973 8.297 -2.830 177 HA GLN 4 HA GLN 4 6.746 10.751 -4.011 178 1HB GLN 4 HB2 GLN 4 7.569 8.137 -5.115 179 2HB GLN 4 HB1 GLN 4 5.911 8.578 -5.546 180 1HG GLN 4 HG2 GLN 4 6.980 10.927 -6.105 181 2HG GLN 4 HG1 GLN 4 8.478 9.983 -6.195 182 1HE2 GLN 4 HE21 GLN 4 8.321 7.976 -7.650 183 2HE2 GLN 4 HE22 GLN 4 7.347 8.136 -9.068 184 H ALA 5 HN ALA 5 4.401 10.541 -4.501 185 HA ALA 5 HA ALA 5 2.932 9.685 -2.158 186 1HB ALA 5 HB1 ALA 5 1.745 10.196 -4.908 187 2HB ALA 5 HB2 ALA 5 2.251 11.494 -3.830 188 3HB ALA 5 HB3 ALA 5 0.975 10.394 -3.329 189 H LEU 6 HN LEU 6 0.692 8.369 -3.197 190 HA LEU 6 HA LEU 6 1.552 6.186 -4.859 191 1HB LEU 6 HB2 LEU 6 1.997 5.853 -2.091 192 2HB LEU 6 HB1 LEU 6 0.541 4.930 -2.464 193 HG LEU 6 HG LEU 6 2.001 4.244 -4.638 194 1HD1 LEU 6 HD11 LEU 6 4.030 5.231 -4.277 195 2HD1 LEU 6 HD12 LEU 6 4.309 3.712 -3.459 196 3HD1 LEU 6 HD13 LEU 6 3.925 5.152 -2.521 197 1HD2 LEU 6 HD21 LEU 6 1.156 2.527 -3.503 198 2HD2 LEU 6 HD22 LEU 6 1.654 3.057 -1.931 199 3HD2 LEU 6 HD23 LEU 6 2.798 2.295 -3.030 200 H CYS 7 HN CYS 7 -0.071 6.232 -6.144 201 HA CYS 7 HA CYS 7 -2.789 5.635 -5.104 202 1HB CYS 7 HB2 CYS 7 -2.460 7.807 -7.189 203 2HB CYS 7 HB1 CYS 7 -3.829 7.487 -6.113 204 H GLY 8 HN GLY 8 -4.260 5.090 -7.016 205 1HA GLY 8 HA2 GLY 8 -4.657 3.786 -8.913 206 2HA GLY 8 HA1 GLY 8 -3.250 4.577 -9.620 207 H SER 9 HN SER 9 -2.799 2.480 -10.620 208 HA SER 9 HA SER 9 -2.351 0.087 -9.222 209 1HB SER 9 HB2 SER 9 -0.990 1.155 -11.711 210 2HB SER 9 HB1 SER 9 -0.839 -0.519 -11.158 211 HG SER 9 HG SER 9 -2.959 -0.862 -11.568 212 H ASP 10 HN ASP 10 -0.494 2.990 -9.162 213 HA ASP 10 HA ASP 10 2.105 2.117 -8.739 214 1HB ASP 10 HB2 ASP 10 0.856 4.179 -6.892 215 2HB ASP 10 HB1 ASP 10 2.501 4.126 -7.539 216 H LEU 11 HN LEU 11 -0.635 2.085 -6.461 217 HA LEU 11 HA LEU 11 0.857 1.007 -4.242 218 1HB LEU 11 HB2 LEU 11 -2.072 0.909 -4.986 219 2HB LEU 11 HB1 LEU 11 -1.468 0.223 -3.478 220 HG LEU 11 HG LEU 11 -0.727 3.078 -4.080 221 1HD1 LEU 11 HD11 LEU 11 -3.464 2.196 -3.113 222 2HD1 LEU 11 HD12 LEU 11 -3.118 2.960 -4.666 223 3HD1 LEU 11 HD13 LEU 11 -2.861 3.854 -3.170 224 1HD2 LEU 11 HD21 LEU 11 -0.592 3.200 -1.788 225 2HD2 LEU 11 HD22 LEU 11 -0.137 1.557 -2.039 226 3HD2 LEU 11 HD23 LEU 11 -1.753 1.923 -1.485 227 H VAL 12 HN VAL 12 -1.583 -0.644 -6.174 228 HA VAL 12 HA VAL 12 -0.943 -3.240 -5.462 229 HB VAL 12 HB VAL 12 -2.052 -3.985 -7.416 230 1HG1 VAL 12 HG11 VAL 12 -3.330 -2.437 -5.781 231 2HG1 VAL 12 HG12 VAL 12 -4.043 -2.740 -7.360 232 3HG1 VAL 12 HG13 VAL 12 -3.219 -1.218 -7.055 233 1HG2 VAL 12 HG21 VAL 12 -2.435 -2.361 -9.338 234 2HG2 VAL 12 HG22 VAL 12 -0.802 -2.971 -9.180 235 3HG2 VAL 12 HG23 VAL 12 -1.217 -1.384 -8.602 236 H GLU 13 HN GLU 13 0.544 -1.317 -8.099 237 HA GLU 13 HA GLU 13 2.304 -3.326 -9.018 238 1HB GLU 13 HB2 GLU 13 2.237 -0.330 -9.106 239 2HB GLU 13 HB1 GLU 13 3.803 -1.066 -9.374 240 1HG GLU 13 HG2 GLU 13 1.691 -2.454 -10.868 241 2HG GLU 13 HG1 GLU 13 1.810 -0.737 -11.269 242 H ALA 14 HN ALA 14 2.643 -0.948 -6.389 243 HA ALA 14 HA ALA 14 5.317 -1.867 -5.666 244 1HB ALA 14 HB1 ALA 14 4.797 0.361 -5.081 245 2HB ALA 14 HB2 ALA 14 4.836 -0.500 -3.558 246 3HB ALA 14 HB3 ALA 14 3.285 -0.087 -4.323 247 H LEU 15 HN LEU 15 2.041 -2.716 -4.853 248 HA LEU 15 HA LEU 15 2.744 -4.287 -2.529 249 1HB LEU 15 HB2 LEU 15 0.287 -3.862 -4.136 250 2HB LEU 15 HB1 LEU 15 0.291 -5.088 -2.906 251 HG LEU 15 HG LEU 15 1.256 -2.394 -2.172 252 1HD1 LEU 15 HD11 LEU 15 -1.643 -3.122 -2.271 253 2HD1 LEU 15 HD12 LEU 15 -0.862 -2.084 -3.447 254 3HD1 LEU 15 HD13 LEU 15 -0.949 -1.583 -1.768 255 1HD2 LEU 15 HD21 LEU 15 0.317 -3.019 -0.055 256 2HD2 LEU 15 HD22 LEU 15 1.390 -4.258 -0.589 257 3HD2 LEU 15 HD23 LEU 15 -0.358 -4.487 -0.721 258 H TYR 16 HN TYR 16 1.598 -4.908 -5.778 259 HA TYR 16 HA TYR 16 1.631 -7.651 -5.883 260 1HB TYR 16 HB2 TYR 16 2.007 -5.431 -7.829 261 2HB TYR 16 HB1 TYR 16 2.759 -6.930 -8.335 262 HD1 TYR 16 HD1 TYR 16 0.092 -5.236 -9.086 263 HD2 TYR 16 HD2 TYR 16 1.038 -9.008 -7.260 264 HE1 TYR 16 HE1 TYR 16 -2.098 -6.132 -9.820 265 HE2 TYR 16 HE2 TYR 16 -1.152 -9.910 -7.980 266 HH TYR 16 HH TYR 16 -3.657 -8.389 -8.692 267 H LEU 17 HN LEU 17 4.302 -5.445 -5.697 268 HA LEU 17 HA LEU 17 6.194 -7.595 -6.411 269 1HB LEU 17 HB2 LEU 17 6.237 -4.628 -6.206 270 2HB LEU 17 HB1 LEU 17 7.721 -5.436 -5.689 271 HG LEU 17 HG LEU 17 7.838 -6.669 -7.807 272 1HD1 LEU 17 HD11 LEU 17 6.257 -6.036 -9.629 273 2HD1 LEU 17 HD12 LEU 17 5.313 -5.124 -8.464 274 3HD1 LEU 17 HD13 LEU 17 5.454 -6.869 -8.308 275 1HD2 LEU 17 HD21 LEU 17 7.422 -3.686 -8.187 276 2HD2 LEU 17 HD22 LEU 17 8.316 -4.756 -9.270 277 3HD2 LEU 17 HD23 LEU 17 8.914 -4.457 -7.640 278 H VAL 18 HN VAL 18 5.020 -5.900 -3.616 279 HA VAL 18 HA VAL 18 7.122 -7.094 -1.889 280 HB VAL 18 HB VAL 18 6.165 -5.659 -0.148 281 1HG1 VAL 18 HG11 VAL 18 6.467 -3.441 -1.350 282 2HG1 VAL 18 HG12 VAL 18 6.619 -4.348 -2.850 283 3HG1 VAL 18 HG13 VAL 18 7.776 -4.594 -1.558 284 1HG2 VAL 18 HG21 VAL 18 3.958 -5.346 -0.310 285 2HG2 VAL 18 HG22 VAL 18 3.917 -5.603 -2.008 286 3HG2 VAL 18 HG23 VAL 18 4.330 -4.032 -1.394 287 H CYS 19 HN CYS 19 3.760 -7.526 -2.745 288 HA CYS 19 HA CYS 19 3.131 -9.118 -0.373 289 1HB CYS 19 HB2 CYS 19 1.586 -8.983 -2.990 290 2HB CYS 19 HB1 CYS 19 0.972 -9.417 -1.386 291 H GLY 20 HN GLY 20 4.234 -9.650 -3.664 292 1HA GLY 20 HA2 GLY 20 5.114 -11.567 -4.641 293 2HA GLY 20 HA1 GLY 20 5.177 -12.296 -3.034 294 H GLU 21 HN GLU 21 2.500 -11.151 -5.139 295 HA GLU 21 HA GLU 21 0.599 -12.256 -5.891 296 1HB GLU 21 HB2 GLU 21 2.271 -14.717 -5.220 297 2HB GLU 21 HB1 GLU 21 0.700 -14.776 -5.996 298 1HG GLU 21 HG2 GLU 21 1.435 -13.596 -7.901 299 2HG GLU 21 HG1 GLU 21 2.965 -13.140 -7.132 300 H ARG 22 HN ARG 22 1.513 -12.059 -2.768 301 HA ARG 22 HA ARG 22 -0.249 -13.932 -1.490 302 1HB ARG 22 HB2 ARG 22 1.368 -11.548 -0.654 303 2HB ARG 22 HB1 ARG 22 0.038 -12.015 0.388 304 1HG ARG 22 HG2 ARG 22 1.039 -14.448 0.101 305 2HG ARG 22 HG1 ARG 22 2.513 -13.553 -0.296 306 1HD ARG 22 HD2 ARG 22 1.020 -12.613 2.114 307 2HD ARG 22 HD1 ARG 22 1.768 -14.210 2.217 308 HE ARG 22 HE ARG 22 2.988 -11.641 1.885 309 1HH1 ARG 22 HH21 ARG 22 3.204 -12.310 4.360 310 2HH1 ARG 22 HH22 ARG 22 4.584 -13.322 4.629 311 1HH2 ARG 22 HH11 ARG 22 4.988 -14.125 1.273 312 2HH2 ARG 22 HH12 ARG 22 5.596 -14.351 2.880 313 H GLY 23 HN GLY 23 -0.919 -11.187 -3.347 314 1HA GLY 23 HA2 GLY 23 -2.988 -10.221 -3.793 315 2HA GLY 23 HA1 GLY 23 -3.715 -11.240 -2.549 316 H PHE 24 HN PHE 24 -4.375 -8.503 -2.769 317 HA PHE 24 HA PHE 24 -3.313 -7.511 -0.169 318 1HB PHE 24 HB2 PHE 24 -3.723 -5.202 -1.764 319 2HB PHE 24 HB1 PHE 24 -2.200 -5.830 -1.158 320 HD1 PHE 24 HD1 PHE 24 -3.952 -4.937 -4.042 321 HD2 PHE 24 HD2 PHE 24 -1.212 -7.878 -2.549 322 HE1 PHE 24 HE1 PHE 24 -3.224 -5.446 -6.360 323 HE2 PHE 24 HE2 PHE 24 -0.491 -8.402 -4.853 324 HZ PHE 24 HZ PHE 24 -1.516 -7.149 -6.710 325 H PHE 25 HN PHE 25 -4.667 -5.200 0.116 326 HA PHE 25 HA PHE 25 -7.525 -5.990 -0.288 327 1HB PHE 25 HB2 PHE 25 -6.584 -6.063 2.124 328 2HB PHE 25 HB1 PHE 25 -6.498 -4.297 2.027 329 HD1 PHE 25 HD1 PHE 25 -8.886 -7.089 1.231 330 HD2 PHE 25 HD2 PHE 25 -8.364 -3.106 2.758 331 HE1 PHE 25 HE1 PHE 25 -11.310 -6.968 1.745 332 HE2 PHE 25 HE2 PHE 25 -10.790 -2.985 3.275 333 HZ PHE 25 HZ PHE 25 -12.262 -4.917 2.767 334 H TYR 26 HN TYR 26 -5.919 -4.416 -2.100 335 HA TYR 26 HA TYR 26 -6.548 -1.598 -1.620 336 1HB TYR 26 HB2 TYR 26 -4.573 -2.069 -2.915 337 2HB TYR 26 HB1 TYR 26 -5.472 -3.119 -4.019 338 HD1 TYR 26 HD1 TYR 26 -4.743 0.349 -3.069 339 HD2 TYR 26 HD2 TYR 26 -7.006 -2.194 -5.690 340 HE1 TYR 26 HE1 TYR 26 -5.276 2.299 -4.511 341 HE2 TYR 26 HE2 TYR 26 -7.547 -0.250 -7.122 342 HH TYR 26 HH TYR 26 -7.524 2.678 -6.381 343 H THR 27 HN THR 27 -8.687 -1.007 -1.742 344 HA THR 27 HA THR 27 -10.252 -2.003 -4.105 345 HB THR 27 HB THR 27 -12.278 -1.889 -2.527 346 HG1 THR 27 HG1 THR 27 -10.278 -2.035 -0.489 347 1HG2 THR 27 HG21 THR 27 -10.116 -3.915 -1.901 348 2HG2 THR 27 HG22 THR 27 -11.269 -4.019 -3.234 349 3HG2 THR 27 HG23 THR 27 -11.839 -4.093 -1.568 350 H LYS 28 HN LYS 28 -12.327 -0.548 -4.260 351 HA LYS 28 HA LYS 28 -11.487 2.277 -3.796 352 1HB LYS 28 HB2 LYS 28 -12.693 2.796 -5.988 353 2HB LYS 28 HB1 LYS 28 -11.173 1.909 -6.128 354 1HG LYS 28 HG2 LYS 28 -12.140 0.096 -6.979 355 2HG LYS 28 HG1 LYS 28 -13.442 0.079 -5.787 356 1HD LYS 28 HD2 LYS 28 -14.815 1.457 -7.015 357 2HD LYS 28 HD1 LYS 28 -13.491 2.147 -7.964 358 1HE LYS 28 HE2 LYS 28 -13.805 -0.788 -8.255 359 2HE LYS 28 HE1 LYS 28 -15.172 0.171 -8.833 360 1HZ LYS 28 HZ1 LYS 28 -13.668 1.487 -10.180 361 2HZ LYS 28 HZ2 LYS 28 -13.515 -0.152 -10.562 362 3HZ LYS 28 HZ3 LYS 28 -12.335 0.603 -9.616 363 HA PRO 29 HA PRO 29 -15.529 2.680 -2.021 364 1HB PRO 29 HB2 PRO 29 -15.771 5.407 -2.196 365 2HB PRO 29 HB1 PRO 29 -14.734 4.585 -1.033 366 1HG PRO 29 HG2 PRO 29 -13.958 6.045 -3.530 367 2HG PRO 29 HG1 PRO 29 -13.033 5.814 -2.036 368 1HD PRO 29 HD2 PRO 29 -12.682 4.369 -4.446 369 2HD PRO 29 HD1 PRO 29 -12.021 3.944 -2.855 370 H THR 30 HN THR 30 -17.619 2.589 -2.814 371 HA THR 30 HA THR 30 -18.213 3.969 -5.398 372 HB THR 30 HB THR 30 -19.077 1.092 -4.890 373 HG1 THR 30 HG1 THR 30 -16.787 2.012 -6.340 374 1HG2 THR 30 HG21 THR 30 -19.407 1.134 -7.324 375 2HG2 THR 30 HG22 THR 30 -18.865 2.810 -7.379 376 3HG2 THR 30 HG23 THR 30 -20.359 2.392 -6.536 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -6.344 4.340 3.611 2 2H GLY 1 HT2 GLY 1 -7.634 3.266 3.444 3 3H GLY 1 HT3 GLY 1 -6.993 4.029 2.077 4 1HA GLY 1 HA1 GLY 1 -5.306 2.329 3.800 5 2HA GLY 1 HA2 GLY 1 -6.347 1.588 2.593 6 H ILE 2 HN ILE 2 -4.910 0.893 1.113 7 HA ILE 2 HA ILE 2 -2.491 1.824 0.334 8 HB ILE 2 HB ILE 2 -3.454 1.196 -2.141 9 1HG1 ILE 2 HG12 ILE 2 -5.012 -0.545 -1.961 10 2HG1 ILE 2 HG11 ILE 2 -5.064 -0.502 -0.229 11 1HG2 ILE 2 HG21 ILE 2 -2.782 -1.051 -0.338 12 2HG2 ILE 2 HG22 ILE 2 -1.575 0.201 -0.652 13 3HG2 ILE 2 HG23 ILE 2 -2.279 -0.677 -1.964 14 1HD1 ILE 2 HD11 ILE 2 -5.915 1.798 -1.948 15 2HD1 ILE 2 HD12 ILE 2 -6.313 1.506 -0.265 16 3HD1 ILE 2 HD13 ILE 2 -7.000 0.507 -1.508 17 H VAL 3 HN VAL 3 -5.506 3.297 -0.498 18 HA VAL 3 HA VAL 3 -4.192 5.178 -2.258 19 HB VAL 3 HB VAL 3 -7.066 4.700 -1.497 20 1HG1 VAL 3 HG11 VAL 3 -7.417 6.450 -3.362 21 2HG1 VAL 3 HG12 VAL 3 -5.790 6.977 -2.964 22 3HG1 VAL 3 HG13 VAL 3 -7.058 7.002 -1.740 23 1HG2 VAL 3 HG21 VAL 3 -5.633 4.502 -4.143 24 2HG2 VAL 3 HG22 VAL 3 -7.319 4.097 -3.821 25 3HG2 VAL 3 HG23 VAL 3 -6.033 3.141 -3.110 26 H GLU 4 HN GLU 4 -6.648 5.716 0.232 27 HA GLU 4 HA GLU 4 -6.303 8.325 0.748 28 1HB GLU 4 HB2 GLU 4 -6.737 6.233 2.876 29 2HB GLU 4 HB1 GLU 4 -7.139 7.936 3.018 30 1HG GLU 4 HG2 GLU 4 -8.359 6.662 0.670 31 2HG GLU 4 HG1 GLU 4 -8.807 5.908 2.195 32 H GLN 5 HN GLN 5 -4.100 5.796 1.824 33 HA GLN 5 HA GLN 5 -2.628 7.650 3.516 34 1HB GLN 5 HB2 GLN 5 -3.024 5.187 4.015 35 2HB GLN 5 HB1 GLN 5 -1.845 4.833 2.783 36 1HG GLN 5 HG2 GLN 5 -0.360 4.908 4.412 37 2HG GLN 5 HG1 GLN 5 -0.474 6.658 4.270 38 1HE2 GLN 5 HE21 GLN 5 -0.803 7.676 6.134 39 2HE2 GLN 5 HE22 GLN 5 -1.592 7.004 7.514 40 H CYS 6 HN CYS 6 -1.523 5.396 1.001 41 HA CYS 6 HA CYS 6 0.876 6.709 0.474 42 1HB CYS 6 HB2 CYS 6 -0.730 5.041 -1.456 43 2HB CYS 6 HB1 CYS 6 0.981 5.325 -1.516 44 H CYS 7 HN CYS 7 -2.155 6.832 -1.376 45 HA CYS 7 HA CYS 7 -1.484 8.502 -3.401 46 1HB CYS 7 HB2 CYS 7 -3.736 7.532 -3.046 47 2HB CYS 7 HB1 CYS 7 -4.042 8.742 -1.810 48 H THR 8 HN THR 8 -1.857 9.464 -0.037 49 HA THR 8 HA THR 8 -1.750 12.288 -0.687 50 HB THR 8 HB THR 8 -1.823 12.638 1.724 51 HG1 THR 8 HG1 THR 8 -1.881 9.833 2.088 52 1HG2 THR 8 HG21 THR 8 -3.769 10.566 0.738 53 2HG2 THR 8 HG22 THR 8 -3.970 12.316 0.789 54 3HG2 THR 8 HG23 THR 8 -3.906 11.393 2.289 55 H SER 9 HN SER 9 0.220 10.739 1.827 56 HA SER 9 HA SER 9 2.471 12.384 1.161 57 1HB SER 9 HB2 SER 9 3.579 10.825 2.955 58 2HB SER 9 HB1 SER 9 2.290 11.912 3.436 59 HG SER 9 HG SER 9 1.981 9.802 4.239 60 H ILE 10 HN ILE 10 4.703 10.866 1.346 61 HA ILE 10 HA ILE 10 4.607 9.362 -1.162 62 HB ILE 10 HB ILE 10 7.042 10.120 0.476 63 1HG1 ILE 10 HG12 ILE 10 7.221 12.110 -0.556 64 2HG1 ILE 10 HG11 ILE 10 6.660 11.530 -2.103 65 1HG2 ILE 10 HG21 ILE 10 6.636 8.543 -1.904 66 2HG2 ILE 10 HG22 ILE 10 7.999 8.621 -0.852 67 3HG2 ILE 10 HG23 ILE 10 7.812 9.796 -2.122 68 1HD1 ILE 10 HD11 ILE 10 4.342 11.771 -1.330 69 2HD1 ILE 10 HD12 ILE 10 5.257 13.258 -1.278 70 3HD1 ILE 10 HD13 ILE 10 4.948 12.406 0.210 71 H CYS 11 HN CYS 11 3.433 7.600 -0.224 72 HA CYS 11 HA CYS 11 3.959 6.071 1.931 73 1HB CYS 11 HB2 CYS 11 2.556 5.713 -0.451 74 2HB CYS 11 HB1 CYS 11 3.570 4.306 -0.368 75 H SER 12 HN SER 12 4.976 3.933 2.176 76 HA SER 12 HA SER 12 7.521 3.678 0.697 77 1HB SER 12 HB2 SER 12 7.089 3.848 3.661 78 2HB SER 12 HB1 SER 12 8.400 2.847 3.037 79 HG SER 12 HG SER 12 8.935 5.090 3.502 80 H LEU 13 HN LEU 13 7.926 1.666 0.048 81 HA LEU 13 HA LEU 13 6.099 -0.336 -0.151 82 1HB LEU 13 HB2 LEU 13 9.044 -0.857 0.230 83 2HB LEU 13 HB1 LEU 13 7.888 -1.874 -0.605 84 HG LEU 13 HG LEU 13 8.784 -0.901 -2.432 85 1HD1 LEU 13 HD11 LEU 13 6.984 1.429 -1.766 86 2HD1 LEU 13 HD12 LEU 13 6.350 -0.164 -2.183 87 3HD1 LEU 13 HD13 LEU 13 7.348 0.703 -3.308 88 1HD2 LEU 13 HD21 LEU 13 10.409 0.560 -2.140 89 2HD2 LEU 13 HD22 LEU 13 9.877 0.924 -0.512 90 3HD2 LEU 13 HD23 LEU 13 9.235 1.840 -1.863 91 H TYR 14 HN TYR 14 8.280 0.187 2.547 92 HA TYR 14 HA TYR 14 7.712 -2.192 3.941 93 1HB TYR 14 HB2 TYR 14 9.537 -0.477 4.438 94 2HB TYR 14 HB1 TYR 14 8.300 0.501 5.218 95 HD1 TYR 14 HD1 TYR 14 10.183 -2.673 5.383 96 HD2 TYR 14 HD2 TYR 14 7.452 -0.094 7.395 97 HE1 TYR 14 HE1 TYR 14 10.521 -3.941 7.460 98 HE2 TYR 14 HE2 TYR 14 7.785 -1.360 9.476 99 HH TYR 14 HH TYR 14 10.134 -3.100 10.217 100 H GLN 15 HN GLN 15 6.129 0.906 3.725 101 HA GLN 15 HA GLN 15 4.073 0.273 5.650 102 1HB GLN 15 HB2 GLN 15 4.555 2.533 5.652 103 2HB GLN 15 HB1 GLN 15 4.796 2.618 3.930 104 1HG GLN 15 HG2 GLN 15 2.846 3.572 3.811 105 2HG GLN 15 HG1 GLN 15 2.087 2.033 4.109 106 1HE2 GLN 15 HE21 GLN 15 0.363 2.653 5.307 107 2HE2 GLN 15 HE22 GLN 15 0.490 3.513 6.799 108 H LEU 16 HN LEU 16 4.565 0.280 2.182 109 HA LEU 16 HA LEU 16 1.866 -0.137 1.457 110 1HB LEU 16 HB2 LEU 16 3.986 0.606 0.050 111 2HB LEU 16 HB1 LEU 16 4.136 -1.119 -0.224 112 HG LEU 16 HG LEU 16 1.660 -0.999 -0.990 113 1HD1 LEU 16 HD11 LEU 16 1.133 1.165 -0.203 114 2HD1 LEU 16 HD12 LEU 16 1.043 1.174 -1.954 115 3HD1 LEU 16 HD13 LEU 16 2.427 1.909 -1.145 116 1HD2 LEU 16 HD21 LEU 16 2.332 -0.501 -3.249 117 2HD2 LEU 16 HD22 LEU 16 3.600 -1.414 -2.438 118 3HD2 LEU 16 HD23 LEU 16 3.786 0.320 -2.672 119 H GLU 17 HN GLU 17 4.351 -2.158 2.745 120 HA GLU 17 HA GLU 17 3.332 -4.628 1.744 121 1HB GLU 17 HB2 GLU 17 5.682 -4.314 2.417 122 2HB GLU 17 HB1 GLU 17 5.168 -4.110 4.086 123 1HG GLU 17 HG2 GLU 17 4.091 -6.572 3.013 124 2HG GLU 17 HG1 GLU 17 5.820 -6.480 2.718 125 H ASN 18 HN ASN 18 2.360 -2.456 4.174 126 HA ASN 18 HA ASN 18 1.215 -4.397 5.954 127 1HB ASN 18 HB2 ASN 18 1.965 -1.786 6.243 128 2HB ASN 18 HB1 ASN 18 0.226 -1.592 6.059 129 1HD2 ASN 18 HD21 ASN 18 -1.131 -2.314 7.678 130 2HD2 ASN 18 HD22 ASN 18 -0.538 -2.869 9.203 131 H TYR 19 HN TYR 19 0.354 -3.498 2.893 132 HA TYR 19 HA TYR 19 -2.533 -3.529 3.387 133 1HB TYR 19 HB2 TYR 19 -0.857 -2.940 0.957 134 2HB TYR 19 HB1 TYR 19 -2.607 -3.072 0.892 135 HD1 TYR 19 HD1 TYR 19 -3.836 -1.581 2.776 136 HD2 TYR 19 HD2 TYR 19 -0.001 -0.795 1.103 137 HE1 TYR 19 HE1 TYR 19 -4.044 0.769 3.387 138 HE2 TYR 19 HE2 TYR 19 -0.221 1.568 1.714 139 HH TYR 19 HH TYR 19 -1.951 2.795 3.796 140 H CYS 20 HN CYS 20 0.078 -5.508 2.309 141 HA CYS 20 HA CYS 20 -1.174 -7.333 0.651 142 1HB CYS 20 HB2 CYS 20 0.940 -8.061 2.678 143 2HB CYS 20 HB1 CYS 20 0.613 -8.822 1.127 144 H ASN 21 HN ASN 21 -3.049 -8.365 1.079 145 HA ASN 21 HA ASN 21 -3.651 -9.210 3.825 146 1HB ASN 21 HB2 ASN 21 -5.886 -9.492 3.120 147 2HB ASN 21 HB1 ASN 21 -5.333 -7.995 2.380 148 1HD2 ASN 21 HD21 ASN 21 -5.972 -7.802 0.357 149 2HD2 ASN 21 HD22 ASN 21 -6.237 -9.048 -0.778 150 1H PHE 1 HT1 PHE 1 10.401 4.238 -1.574 151 2H PHE 1 HT2 PHE 1 10.021 5.454 -2.703 152 3H PHE 1 HT3 PHE 1 10.776 5.858 -1.232 153 HA PHE 1 HA PHE 1 12.700 4.694 -1.747 154 1HB PHE 1 HB2 PHE 1 12.785 4.040 -4.358 155 2HB PHE 1 HB1 PHE 1 12.316 2.913 -3.096 156 HD1 PHE 1 HD1 PHE 1 10.592 1.561 -3.761 157 HD2 PHE 1 HD2 PHE 1 10.579 5.598 -5.050 158 HE1 PHE 1 HE1 PHE 1 8.454 1.184 -4.907 159 HE2 PHE 1 HE2 PHE 1 8.449 5.244 -6.192 160 HZ PHE 1 HZ PHE 1 7.379 3.028 -6.129 161 H VAL 2 HN VAL 2 10.635 6.876 -3.468 162 HA VAL 2 HA VAL 2 12.756 8.820 -3.712 163 HB VAL 2 HB VAL 2 12.566 9.187 -6.063 164 1HG1 VAL 2 HG11 VAL 2 13.419 7.174 -7.004 165 2HG1 VAL 2 HG12 VAL 2 12.738 6.202 -5.712 166 3HG1 VAL 2 HG13 VAL 2 14.047 7.343 -5.375 167 1HG2 VAL 2 HG21 VAL 2 10.449 8.913 -6.837 168 2HG2 VAL 2 HG22 VAL 2 10.121 7.513 -5.824 169 3HG2 VAL 2 HG23 VAL 2 11.052 7.337 -7.304 170 H ASN 3 HN ASN 3 11.146 10.451 -5.575 171 HA ASN 3 HA ASN 3 9.319 11.549 -3.659 172 1HB ASN 3 HB2 ASN 3 9.300 12.330 -6.571 173 2HB ASN 3 HB1 ASN 3 9.037 13.320 -5.137 174 1HD2 ASN 3 HD21 ASN 3 10.992 13.551 -3.696 175 2HD2 ASN 3 HD22 ASN 3 12.507 13.758 -4.500 176 H GLN 4 HN GLN 4 8.401 9.262 -3.628 177 HA GLN 4 HA GLN 4 6.556 8.553 -5.684 178 1HB GLN 4 HB2 GLN 4 7.246 6.625 -4.854 179 2HB GLN 4 HB1 GLN 4 7.772 7.310 -3.332 180 1HG GLN 4 HG2 GLN 4 5.664 7.045 -2.349 181 2HG GLN 4 HG1 GLN 4 4.884 6.769 -3.874 182 1HE2 GLN 4 HE21 GLN 4 4.775 5.127 -1.599 183 2HE2 GLN 4 HE22 GLN 4 5.411 3.593 -2.003 184 H ALA 5 HN ALA 5 4.327 8.115 -5.337 185 HA ALA 5 HA ALA 5 2.984 9.670 -3.209 186 1HB ALA 5 HB1 ALA 5 2.213 9.706 -6.133 187 2HB ALA 5 HB2 ALA 5 2.952 11.037 -5.244 188 3HB ALA 5 HB3 ALA 5 1.335 10.482 -4.812 189 H LEU 6 HN LEU 6 2.479 7.433 -5.928 190 HA LEU 6 HA LEU 6 1.367 5.493 -6.113 191 1HB LEU 6 HB2 LEU 6 2.009 5.580 -3.203 192 2HB LEU 6 HB1 LEU 6 0.848 4.394 -3.721 193 HG LEU 6 HG LEU 6 3.353 3.775 -3.546 194 1HD1 LEU 6 HD11 LEU 6 2.052 2.100 -4.367 195 2HD1 LEU 6 HD12 LEU 6 3.035 2.441 -5.791 196 3HD1 LEU 6 HD13 LEU 6 1.419 3.096 -5.675 197 1HD2 LEU 6 HD21 LEU 6 4.738 4.233 -5.389 198 2HD2 LEU 6 HD22 LEU 6 4.014 5.777 -4.998 199 3HD2 LEU 6 HD23 LEU 6 3.416 4.862 -6.351 200 H CYS 7 HN CYS 7 -0.446 6.462 -6.995 201 HA CYS 7 HA CYS 7 -2.823 6.203 -5.306 202 1HB CYS 7 HB2 CYS 7 -2.021 8.664 -5.514 203 2HB CYS 7 HB1 CYS 7 -2.589 8.569 -7.172 204 H GLY 8 HN GLY 8 -4.525 5.301 -6.357 205 1HA GLY 8 HA2 GLY 8 -5.771 4.462 -8.113 206 2HA GLY 8 HA1 GLY 8 -4.732 5.320 -9.226 207 H SER 9 HN SER 9 -4.251 3.732 -10.671 208 HA SER 9 HA SER 9 -3.697 1.039 -9.989 209 1HB SER 9 HB2 SER 9 -3.446 2.722 -12.430 210 2HB SER 9 HB1 SER 9 -2.480 1.250 -12.387 211 HG SER 9 HG SER 9 -4.299 0.045 -12.218 212 H ASP 10 HN ASP 10 -1.778 3.861 -9.668 213 HA ASP 10 HA ASP 10 0.789 2.836 -10.104 214 1HB ASP 10 HB2 ASP 10 -0.225 5.011 -8.285 215 2HB ASP 10 HB1 ASP 10 1.487 4.686 -8.501 216 H LEU 11 HN LEU 11 -1.454 2.361 -7.487 217 HA LEU 11 HA LEU 11 0.440 1.499 -5.549 218 1HB LEU 11 HB2 LEU 11 -2.493 1.193 -5.816 219 2HB LEU 11 HB1 LEU 11 -1.626 0.505 -4.462 220 HG LEU 11 HG LEU 11 -1.206 3.411 -5.011 221 1HD1 LEU 11 HD11 LEU 11 -3.737 2.312 -3.808 222 2HD1 LEU 11 HD12 LEU 11 -3.589 3.213 -5.311 223 3HD1 LEU 11 HD13 LEU 11 -3.227 3.997 -3.779 224 1HD2 LEU 11 HD21 LEU 11 -1.031 3.508 -2.648 225 2HD2 LEU 11 HD22 LEU 11 -0.064 2.178 -3.207 226 3HD2 LEU 11 HD23 LEU 11 -1.608 1.870 -2.456 227 H VAL 12 HN VAL 12 -2.006 -0.386 -7.272 228 HA VAL 12 HA VAL 12 -1.260 -2.896 -6.625 229 HB VAL 12 HB VAL 12 -1.819 -3.535 -9.075 230 1HG1 VAL 12 HG11 VAL 12 -3.378 -3.127 -6.921 231 2HG1 VAL 12 HG12 VAL 12 -3.954 -3.698 -8.474 232 3HG1 VAL 12 HG13 VAL 12 -4.106 -1.997 -8.055 233 1HG2 VAL 12 HG21 VAL 12 -2.498 -0.602 -9.178 234 2HG2 VAL 12 HG22 VAL 12 -2.930 -1.806 -10.375 235 3HG2 VAL 12 HG23 VAL 12 -1.248 -1.415 -10.116 236 H GLU 13 HN GLU 13 0.340 -0.877 -9.055 237 HA GLU 13 HA GLU 13 2.185 -2.723 -9.987 238 1HB GLU 13 HB2 GLU 13 1.977 0.210 -9.901 239 2HB GLU 13 HB1 GLU 13 3.610 -0.411 -10.035 240 1HG GLU 13 HG2 GLU 13 2.260 -1.858 -11.949 241 2HG GLU 13 HG1 GLU 13 1.447 -0.313 -11.990 242 H ALA 14 HN ALA 14 2.522 -0.390 -7.367 243 HA ALA 14 HA ALA 14 5.028 -1.570 -6.502 244 1HB ALA 14 HB1 ALA 14 5.115 0.162 -4.905 245 2HB ALA 14 HB2 ALA 14 3.387 0.466 -5.024 246 3HB ALA 14 HB3 ALA 14 4.448 0.887 -6.366 247 H LEU 15 HN LEU 15 1.731 -2.202 -5.974 248 HA LEU 15 HA LEU 15 2.080 -3.251 -3.352 249 1HB LEU 15 HB2 LEU 15 -0.103 -2.278 -4.833 250 2HB LEU 15 HB1 LEU 15 -0.453 -3.935 -4.480 251 HG LEU 15 HG LEU 15 -0.225 -1.595 -2.659 252 1HD1 LEU 15 HD11 LEU 15 -2.123 -2.867 -1.590 253 2HD1 LEU 15 HD12 LEU 15 -1.980 -3.972 -2.919 254 3HD1 LEU 15 HD13 LEU 15 -2.388 -2.328 -3.244 255 1HD2 LEU 15 HD21 LEU 15 1.430 -2.912 -1.605 256 2HD2 LEU 15 HD22 LEU 15 0.549 -4.388 -1.927 257 3HD2 LEU 15 HD23 LEU 15 -0.050 -3.258 -0.742 258 H TYR 16 HN TYR 16 0.764 -4.661 -6.369 259 HA TYR 16 HA TYR 16 0.889 -7.290 -5.448 260 1HB TYR 16 HB2 TYR 16 0.775 -8.004 -7.800 261 2HB TYR 16 HB1 TYR 16 -0.384 -6.772 -7.400 262 HD1 TYR 16 HD1 TYR 16 3.152 -6.758 -8.652 263 HD2 TYR 16 HD2 TYR 16 -0.839 -5.373 -9.136 264 HE1 TYR 16 HE1 TYR 16 3.845 -5.475 -10.608 265 HE2 TYR 16 HE2 TYR 16 -0.149 -4.096 -11.114 266 HH TYR 16 HH TYR 16 3.212 -3.742 -12.028 267 H LEU 17 HN LEU 17 3.449 -5.204 -6.479 268 HA LEU 17 HA LEU 17 5.168 -7.467 -7.021 269 1HB LEU 17 HB2 LEU 17 5.051 -4.903 -7.991 270 2HB LEU 17 HB1 LEU 17 6.380 -4.787 -6.854 271 HG LEU 17 HG LEU 17 7.493 -6.671 -7.984 272 1HD1 LEU 17 HD11 LEU 17 6.505 -7.387 -10.191 273 2HD1 LEU 17 HD12 LEU 17 5.046 -6.569 -9.724 274 3HD1 LEU 17 HD13 LEU 17 5.614 -7.923 -8.784 275 1HD2 LEU 17 HD21 LEU 17 6.643 -4.460 -9.869 276 2HD2 LEU 17 HD22 LEU 17 8.052 -5.505 -10.062 277 3HD2 LEU 17 HD23 LEU 17 7.973 -4.375 -8.712 278 H VAL 18 HN VAL 18 4.462 -5.302 -4.422 279 HA VAL 18 HA VAL 18 6.850 -5.964 -2.920 280 HB VAL 18 HB VAL 18 5.623 -4.851 -1.000 281 1HG1 VAL 18 HG11 VAL 18 7.153 -3.501 -2.037 282 2HG1 VAL 18 HG12 VAL 18 5.681 -2.546 -2.160 283 3HG1 VAL 18 HG13 VAL 18 6.274 -3.447 -3.559 284 1HG2 VAL 18 HG21 VAL 18 3.639 -4.267 -3.124 285 2HG2 VAL 18 HG22 VAL 18 3.649 -3.503 -1.577 286 3HG2 VAL 18 HG23 VAL 18 3.353 -5.211 -1.713 287 H CYS 19 HN CYS 19 3.446 -6.915 -2.984 288 HA CYS 19 HA CYS 19 3.742 -8.719 -0.735 289 1HB CYS 19 HB2 CYS 19 1.414 -8.576 -2.662 290 2HB CYS 19 HB1 CYS 19 1.449 -9.168 -1.014 291 H GLY 20 HN GLY 20 2.829 -9.166 -4.169 292 1HA GLY 20 HA2 GLY 20 3.248 -10.869 -5.622 293 2HA GLY 20 HA1 GLY 20 4.654 -11.257 -4.645 294 H GLU 21 HN GLU 21 4.283 -12.606 -2.712 295 HA GLU 21 HA GLU 21 2.458 -14.770 -3.379 296 1HB GLU 21 HB2 GLU 21 4.938 -14.801 -2.368 297 2HB GLU 21 HB1 GLU 21 4.051 -14.797 -0.849 298 1HG GLU 21 HG2 GLU 21 2.718 -16.757 -2.096 299 2HG GLU 21 HG1 GLU 21 4.248 -16.869 -2.967 300 H ARG 22 HN ARG 22 1.846 -11.934 -1.937 301 HA ARG 22 HA ARG 22 -0.138 -13.119 -0.118 302 1HB ARG 22 HB2 ARG 22 1.440 -10.595 0.386 303 2HB ARG 22 HB1 ARG 22 0.199 -11.273 1.420 304 1HG ARG 22 HG2 ARG 22 1.908 -12.170 2.524 305 2HG ARG 22 HG1 ARG 22 1.892 -13.386 1.250 306 1HD ARG 22 HD2 ARG 22 4.030 -12.842 0.992 307 2HD ARG 22 HD1 ARG 22 3.432 -11.453 0.097 308 HE ARG 22 HE ARG 22 3.466 -10.568 2.665 309 1HH1 ARG 22 HH11 ARG 22 5.879 -12.059 0.585 310 2HH1 ARG 22 HH12 ARG 22 7.191 -11.261 1.362 311 1HH2 ARG 22 HH21 ARG 22 5.224 -9.526 3.668 312 2HH2 ARG 22 HH22 ARG 22 6.834 -9.825 3.102 313 H GLY 23 HN GLY 23 -1.553 -12.951 -1.963 314 1HA GLY 23 HA2 GLY 23 -2.232 -10.995 -3.607 315 2HA GLY 23 HA1 GLY 23 -3.466 -11.871 -2.722 316 H PHE 24 HN PHE 24 -1.861 -8.882 -3.136 317 HA PHE 24 HA PHE 24 -2.429 -7.515 -0.806 318 1HB PHE 24 HB2 PHE 24 -2.263 -5.496 -2.076 319 2HB PHE 24 HB1 PHE 24 -1.062 -6.623 -2.649 320 HD1 PHE 24 HD1 PHE 24 -4.015 -4.722 -3.533 321 HD2 PHE 24 HD2 PHE 24 -1.353 -7.798 -4.807 322 HE1 PHE 24 HE1 PHE 24 -4.853 -4.502 -5.836 323 HE2 PHE 24 HE2 PHE 24 -2.204 -7.587 -7.098 324 HZ PHE 24 HZ PHE 24 -3.943 -5.928 -7.621 325 H PHE 25 HN PHE 25 -4.019 -5.517 -0.843 326 HA PHE 25 HA PHE 25 -6.710 -6.660 -1.246 327 1HB PHE 25 HB2 PHE 25 -6.195 -5.992 1.035 328 2HB PHE 25 HB1 PHE 25 -5.748 -4.388 0.504 329 HD1 PHE 25 HD1 PHE 25 -8.642 -6.718 0.044 330 HD2 PHE 25 HD2 PHE 25 -7.324 -2.776 0.985 331 HE1 PHE 25 HE1 PHE 25 -10.976 -6.011 0.350 332 HE2 PHE 25 HE2 PHE 25 -9.656 -2.067 1.292 333 HZ PHE 25 HZ PHE 25 -11.487 -3.684 0.975 334 H TYR 26 HN TYR 26 -5.821 -3.224 -1.044 335 HA TYR 26 HA TYR 26 -6.721 -1.523 -2.227 336 1HB TYR 26 HB2 TYR 26 -4.484 -2.089 -3.239 337 2HB TYR 26 HB1 TYR 26 -5.332 -2.997 -4.473 338 HD1 TYR 26 HD1 TYR 26 -4.001 -1.409 -5.987 339 HD2 TYR 26 HD2 TYR 26 -7.125 -0.042 -3.458 340 HE1 TYR 26 HE1 TYR 26 -4.228 0.599 -7.354 341 HE2 TYR 26 HE2 TYR 26 -7.335 1.980 -4.778 342 HH TYR 26 HH TYR 26 -5.842 3.339 -6.328 343 H THR 27 HN THR 27 -8.965 -2.354 -1.976 344 HA THR 27 HA THR 27 -10.190 -2.521 -4.619 345 HB THR 27 HB THR 27 -11.645 -4.485 -3.703 346 HG1 THR 27 HG1 THR 27 -9.300 -4.963 -2.184 347 1HG2 THR 27 HG21 THR 27 -8.812 -5.130 -4.409 348 2HG2 THR 27 HG22 THR 27 -10.045 -4.701 -5.577 349 3HG2 THR 27 HG23 THR 27 -10.221 -6.152 -4.593 350 H LYS 28 HN LYS 28 -12.288 -1.801 -4.696 351 HA LYS 28 HA LYS 28 -13.679 -1.137 -2.212 352 1HB LYS 28 HB2 LYS 28 -12.828 0.935 -4.244 353 2HB LYS 28 HB1 LYS 28 -14.003 1.234 -2.970 354 1HG LYS 28 HG2 LYS 28 -11.124 0.448 -2.507 355 2HG LYS 28 HG1 LYS 28 -11.762 2.080 -2.458 356 1HD LYS 28 HD2 LYS 28 -13.316 1.401 -0.659 357 2HD LYS 28 HD1 LYS 28 -12.572 -0.190 -0.643 358 1HE LYS 28 HE2 LYS 28 -11.404 0.818 1.031 359 2HE LYS 28 HE1 LYS 28 -10.349 1.198 -0.327 360 1HZ LYS 28 HZ1 LYS 28 -10.744 3.133 1.043 361 2HZ LYS 28 HZ2 LYS 28 -12.416 2.995 0.839 362 3HZ LYS 28 HZ3 LYS 28 -11.429 3.371 -0.485 363 HA PRO 29 HA PRO 29 -16.382 -2.106 -5.937 364 1HB PRO 29 HB2 PRO 29 -16.843 -4.719 -5.683 365 2HB PRO 29 HB1 PRO 29 -15.355 -4.115 -6.417 366 1HG PRO 29 HG2 PRO 29 -15.797 -5.141 -3.643 367 2HG PRO 29 HG1 PRO 29 -14.459 -5.468 -4.759 368 1HD PRO 29 HD2 PRO 29 -14.371 -3.610 -2.713 369 2HD PRO 29 HD1 PRO 29 -13.362 -3.590 -4.166 370 H THR 30 HN THR 30 -16.549 -2.047 -2.677 371 HA THR 30 HA THR 30 -19.244 -3.048 -2.347 372 HB THR 30 HB THR 30 -18.939 -2.664 -0.040 373 HG1 THR 30 HG1 THR 30 -16.732 -0.993 -0.734 374 1HG2 THR 30 HG21 THR 30 -16.925 -3.758 0.554 375 2HG2 THR 30 HG22 THR 30 -16.156 -3.311 -0.966 376 3HG2 THR 30 HG23 THR 30 -17.482 -4.474 -0.958 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -8.152 5.973 6.374 2 2H GLY 1 HT2 GLY 1 -9.136 6.745 5.235 3 3H GLY 1 HT3 GLY 1 -7.453 6.846 5.102 4 1HA GLY 1 HA1 GLY 1 -8.955 4.278 4.938 5 2HA GLY 1 HA2 GLY 1 -8.601 5.239 3.533 6 H ILE 2 HN ILE 2 -7.719 3.176 2.796 7 HA ILE 2 HA ILE 2 -5.066 2.525 3.988 8 HB ILE 2 HB ILE 2 -6.803 1.220 1.875 9 1HG1 ILE 2 HG12 ILE 2 -7.494 0.794 4.185 10 2HG1 ILE 2 HG11 ILE 2 -6.728 -0.673 3.553 11 1HG2 ILE 2 HG21 ILE 2 -3.992 0.717 2.677 12 2HG2 ILE 2 HG22 ILE 2 -4.615 0.827 1.067 13 3HG2 ILE 2 HG23 ILE 2 -4.927 -0.596 2.052 14 1HD1 ILE 2 HD11 ILE 2 -5.679 -0.463 5.585 15 2HD1 ILE 2 HD12 ILE 2 -5.703 1.290 5.554 16 3HD1 ILE 2 HD13 ILE 2 -4.531 0.409 4.587 17 H VAL 3 HN VAL 3 -6.446 3.219 0.800 18 HA VAL 3 HA VAL 3 -3.905 3.602 -0.463 19 HB VAL 3 HB VAL 3 -6.627 4.726 -1.219 20 1HG1 VAL 3 HG11 VAL 3 -5.406 4.636 -3.550 21 2HG1 VAL 3 HG12 VAL 3 -3.943 4.707 -2.586 22 3HG1 VAL 3 HG13 VAL 3 -5.146 5.984 -2.467 23 1HG2 VAL 3 HG21 VAL 3 -6.146 2.737 -2.988 24 2HG2 VAL 3 HG22 VAL 3 -6.978 2.479 -1.457 25 3HG2 VAL 3 HG23 VAL 3 -5.266 2.135 -1.582 26 H GLU 4 HN GLU 4 -6.305 5.956 0.659 27 HA GLU 4 HA GLU 4 -5.107 8.369 0.168 28 1HB GLU 4 HB2 GLU 4 -6.209 7.678 2.916 29 2HB GLU 4 HB1 GLU 4 -6.148 9.276 2.149 30 1HG GLU 4 HG2 GLU 4 -7.629 8.360 0.320 31 2HG GLU 4 HG1 GLU 4 -7.809 6.894 1.296 32 H GLN 5 HN GLN 5 -4.031 5.965 2.503 33 HA GLN 5 HA GLN 5 -2.094 7.643 3.805 34 1HB GLN 5 HB2 GLN 5 -2.351 4.637 3.509 35 2HB GLN 5 HB1 GLN 5 -1.088 5.401 4.469 36 1HG GLN 5 HG2 GLN 5 -3.188 6.702 5.509 37 2HG GLN 5 HG1 GLN 5 -4.022 5.256 4.947 38 1HE2 GLN 5 HE21 GLN 5 -4.213 5.218 7.513 39 2HE2 GLN 5 HE22 GLN 5 -2.975 4.296 8.288 40 H CYS 6 HN CYS 6 -1.210 4.789 1.805 41 HA CYS 6 HA CYS 6 1.264 5.883 1.104 42 1HB CYS 6 HB2 CYS 6 -0.062 3.496 0.594 43 2HB CYS 6 HB1 CYS 6 0.162 4.167 -0.975 44 H CYS 7 HN CYS 7 -1.877 6.359 -0.210 45 HA CYS 7 HA CYS 7 -1.137 7.458 -2.725 46 1HB CYS 7 HB2 CYS 7 -3.372 6.741 -2.462 47 2HB CYS 7 HB1 CYS 7 -3.596 7.730 -1.044 48 H THR 8 HN THR 8 -2.301 9.251 0.141 49 HA THR 8 HA THR 8 -1.215 11.721 -1.006 50 HB THR 8 HB THR 8 -2.079 12.781 1.053 51 HG1 THR 8 HG1 THR 8 -1.781 11.350 2.665 52 1HG2 THR 8 HG21 THR 8 -3.629 12.271 -0.820 53 2HG2 THR 8 HG22 THR 8 -4.428 12.235 0.751 54 3HG2 THR 8 HG23 THR 8 -4.010 10.726 -0.054 55 H SER 9 HN SER 9 0.652 12.797 -0.340 56 HA SER 9 HA SER 9 2.701 13.129 0.713 57 1HB SER 9 HB2 SER 9 1.033 12.020 2.766 58 2HB SER 9 HB1 SER 9 2.602 11.224 2.887 59 HG SER 9 HG SER 9 2.617 13.136 4.054 60 H ILE 10 HN ILE 10 4.603 11.539 1.696 61 HA ILE 10 HA ILE 10 4.873 9.437 -0.418 62 HB ILE 10 HB ILE 10 7.312 9.797 1.113 63 1HG1 ILE 10 HG12 ILE 10 6.439 12.065 1.653 64 2HG1 ILE 10 HG11 ILE 10 7.776 12.155 0.510 65 1HG2 ILE 10 HG21 ILE 10 7.892 10.749 -1.252 66 2HG2 ILE 10 HG22 ILE 10 6.378 10.039 -1.725 67 3HG2 ILE 10 HG23 ILE 10 7.652 9.034 -1.023 68 1HD1 ILE 10 HD11 ILE 10 5.374 11.875 -1.046 69 2HD1 ILE 10 HD12 ILE 10 6.501 13.213 -0.942 70 3HD1 ILE 10 HD13 ILE 10 5.144 13.137 0.164 71 H CYS 11 HN CYS 11 4.792 7.331 0.181 72 HA CYS 11 HA CYS 11 4.768 6.746 3.126 73 1HB CYS 11 HB2 CYS 11 3.664 4.550 2.331 74 2HB CYS 11 HB1 CYS 11 2.725 6.036 2.202 75 H SER 12 HN SER 12 5.480 4.428 3.609 76 HA SER 12 HA SER 12 8.060 3.906 2.170 77 1HB SER 12 HB2 SER 12 7.240 3.831 5.025 78 2HB SER 12 HB1 SER 12 8.215 2.457 4.494 79 HG SER 12 HG SER 12 9.850 3.791 3.954 80 H LEU 13 HN LEU 13 7.922 2.150 0.864 81 HA LEU 13 HA LEU 13 5.736 0.488 0.497 82 1HB LEU 13 HB2 LEU 13 8.683 0.133 0.096 83 2HB LEU 13 HB1 LEU 13 7.676 -1.287 -0.092 84 HG LEU 13 HG LEU 13 6.318 -0.226 -1.780 85 1HD1 LEU 13 HD11 LEU 13 7.902 2.260 -1.060 86 2HD1 LEU 13 HD12 LEU 13 6.160 2.023 -0.874 87 3HD1 LEU 13 HD13 LEU 13 6.865 2.125 -2.468 88 1HD2 LEU 13 HD21 LEU 13 8.468 -1.159 -2.548 89 2HD2 LEU 13 HD22 LEU 13 9.250 0.397 -2.257 90 3HD2 LEU 13 HD23 LEU 13 8.005 0.250 -3.500 91 H TYR 14 HN TYR 14 8.180 0.211 2.994 92 HA TYR 14 HA TYR 14 7.349 -2.377 3.900 93 1HB TYR 14 HB2 TYR 14 9.520 -1.468 4.567 94 2HB TYR 14 HB1 TYR 14 8.741 -0.099 5.367 95 HD1 TYR 14 HD1 TYR 14 7.864 -3.744 5.325 96 HD2 TYR 14 HD2 TYR 14 9.140 -0.372 7.669 97 HE1 TYR 14 HE1 TYR 14 7.629 -5.092 7.379 98 HE2 TYR 14 HE2 TYR 14 8.909 -1.729 9.735 99 HH TYR 14 HH TYR 14 8.947 -4.714 10.018 100 H GLN 15 HN GLN 15 6.290 0.913 4.552 101 HA GLN 15 HA GLN 15 4.480 0.148 6.716 102 1HB GLN 15 HB2 GLN 15 4.957 2.673 5.087 103 2HB GLN 15 HB1 GLN 15 3.568 2.550 6.166 104 1HG GLN 15 HG2 GLN 15 5.888 3.543 6.991 105 2HG GLN 15 HG1 GLN 15 4.839 2.606 8.062 106 1HE2 GLN 15 HE21 GLN 15 5.769 0.807 9.016 107 2HE2 GLN 15 HE22 GLN 15 7.262 0.142 8.535 108 H LEU 16 HN LEU 16 4.432 0.544 3.263 109 HA LEU 16 HA LEU 16 1.543 0.411 3.005 110 1HB LEU 16 HB2 LEU 16 3.083 1.484 1.348 111 2HB LEU 16 HB1 LEU 16 3.730 -0.098 0.958 112 HG LEU 16 HG LEU 16 1.329 -0.787 0.439 113 1HD1 LEU 16 HD11 LEU 16 0.488 1.807 -0.324 114 2HD1 LEU 16 HD12 LEU 16 0.717 1.754 1.437 115 3HD1 LEU 16 HD13 LEU 16 -0.312 0.628 0.603 116 1HD2 LEU 16 HD21 LEU 16 1.409 0.161 -1.812 117 2HD2 LEU 16 HD22 LEU 16 2.962 -0.451 -1.282 118 3HD2 LEU 16 HD23 LEU 16 2.653 1.265 -1.267 119 H GLU 17 HN GLU 17 4.056 -1.868 3.575 120 HA GLU 17 HA GLU 17 2.819 -4.135 2.263 121 1HB GLU 17 HB2 GLU 17 5.203 -4.171 2.698 122 2HB GLU 17 HB1 GLU 17 4.938 -3.937 4.430 123 1HG GLU 17 HG2 GLU 17 4.049 -6.087 4.739 124 2HG GLU 17 HG1 GLU 17 3.746 -6.286 3.033 125 H ASN 18 HN ASN 18 2.090 -2.355 5.081 126 HA ASN 18 HA ASN 18 1.083 -4.579 6.660 127 1HB ASN 18 HB2 ASN 18 1.781 -2.570 7.817 128 2HB ASN 18 HB1 ASN 18 0.683 -1.575 6.852 129 1HD2 ASN 18 HD21 ASN 18 -1.533 -1.529 7.444 130 2HD2 ASN 18 HD22 ASN 18 -2.125 -2.346 8.846 131 H TYR 19 HN TYR 19 0.047 -3.461 3.764 132 HA TYR 19 HA TYR 19 -2.853 -3.521 4.401 133 1HB TYR 19 HB2 TYR 19 -1.352 -2.933 1.843 134 2HB TYR 19 HB1 TYR 19 -3.093 -2.793 2.042 135 HD1 TYR 19 HD1 TYR 19 -1.800 -0.426 1.122 136 HD2 TYR 19 HD2 TYR 19 -2.143 -1.830 5.165 137 HE1 TYR 19 HE1 TYR 19 -1.516 1.890 1.977 138 HE2 TYR 19 HE2 TYR 19 -1.836 0.436 6.002 139 HH TYR 19 HH TYR 19 -2.341 2.915 4.812 140 H CYS 20 HN CYS 20 -0.288 -5.428 3.145 141 HA CYS 20 HA CYS 20 -1.520 -7.205 1.461 142 1HB CYS 20 HB2 CYS 20 0.370 -8.068 3.631 143 2HB CYS 20 HB1 CYS 20 0.143 -8.818 2.041 144 H ASN 21 HN ASN 21 -2.634 -9.280 1.821 145 HA ASN 21 HA ASN 21 -4.431 -10.394 2.809 146 1HB ASN 21 HB2 ASN 21 -2.024 -10.554 4.427 147 2HB ASN 21 HB1 ASN 21 -3.426 -10.635 5.489 148 1HD2 ASN 21 HD21 ASN 21 -1.934 -12.163 2.646 149 2HD2 ASN 21 HD22 ASN 21 -2.774 -13.658 2.849 150 1H PHE 1 HT1 PHE 1 13.285 2.130 -6.823 151 2H PHE 1 HT2 PHE 1 14.145 2.988 -5.606 152 3H PHE 1 HT3 PHE 1 14.083 3.593 -7.214 153 HA PHE 1 HA PHE 1 11.746 3.937 -7.059 154 1HB PHE 1 HB2 PHE 1 12.000 2.135 -4.861 155 2HB PHE 1 HB1 PHE 1 11.485 3.672 -4.156 156 HD1 PHE 1 HD1 PHE 1 10.751 1.453 -7.092 157 HD2 PHE 1 HD2 PHE 1 9.213 4.166 -4.133 158 HE1 PHE 1 HE1 PHE 1 8.444 1.029 -7.903 159 HE2 PHE 1 HE2 PHE 1 6.905 3.742 -4.944 160 HZ PHE 1 HZ PHE 1 6.521 2.173 -6.827 161 H VAL 2 HN VAL 2 10.796 5.808 -5.594 162 HA VAL 2 HA VAL 2 12.992 7.445 -4.412 163 HB VAL 2 HB VAL 2 12.923 9.130 -5.952 164 1HG1 VAL 2 HG11 VAL 2 12.493 8.342 -8.235 165 2HG1 VAL 2 HG12 VAL 2 11.619 6.945 -7.621 166 3HG1 VAL 2 HG13 VAL 2 13.353 7.120 -7.315 167 1HG2 VAL 2 HG21 VAL 2 10.751 9.571 -7.317 168 2HG2 VAL 2 HG22 VAL 2 10.765 10.034 -5.642 169 3HG2 VAL 2 HG23 VAL 2 9.954 8.545 -6.139 170 H ASN 3 HN ASN 3 11.632 9.753 -3.904 171 HA ASN 3 HA ASN 3 9.663 8.821 -1.924 172 1HB ASN 3 HB2 ASN 3 10.790 11.562 -2.595 173 2HB ASN 3 HB1 ASN 3 9.658 11.270 -1.278 174 1HD2 ASN 3 HD21 ASN 3 12.271 12.269 -0.808 175 2HD2 ASN 3 HD22 ASN 3 13.141 11.045 0.046 176 H GLN 4 HN GLN 4 8.324 8.089 -3.956 177 HA GLN 4 HA GLN 4 6.699 10.384 -4.969 178 1HB GLN 4 HB2 GLN 4 7.693 7.924 -6.162 179 2HB GLN 4 HB1 GLN 4 5.930 7.962 -6.243 180 1HG GLN 4 HG2 GLN 4 6.395 10.491 -7.026 181 2HG GLN 4 HG1 GLN 4 7.945 9.772 -7.499 182 1HE2 GLN 4 HE21 GLN 4 7.135 10.247 -9.760 183 2HE2 GLN 4 HE22 GLN 4 6.076 9.088 -10.481 184 H ALA 5 HN ALA 5 4.439 10.346 -4.743 185 HA ALA 5 HA ALA 5 3.434 9.073 -2.367 186 1HB ALA 5 HB1 ALA 5 1.227 9.698 -4.066 187 2HB ALA 5 HB2 ALA 5 2.447 10.937 -4.329 188 3HB ALA 5 HB3 ALA 5 1.858 10.620 -2.705 189 H LEU 6 HN LEU 6 1.151 7.741 -2.808 190 HA LEU 6 HA LEU 6 1.691 5.730 -4.922 191 1HB LEU 6 HB2 LEU 6 1.972 5.366 -2.073 192 2HB LEU 6 HB1 LEU 6 0.751 4.288 -2.661 193 HG LEU 6 HG LEU 6 2.993 3.252 -2.749 194 1HD1 LEU 6 HD11 LEU 6 1.585 2.335 -4.296 195 2HD1 LEU 6 HD12 LEU 6 2.847 2.902 -5.357 196 3HD1 LEU 6 HD13 LEU 6 1.360 3.804 -5.195 197 1HD2 LEU 6 HD21 LEU 6 4.713 4.134 -4.029 198 2HD2 LEU 6 HD22 LEU 6 4.073 5.566 -3.254 199 3HD2 LEU 6 HD23 LEU 6 3.667 5.200 -4.942 200 H CYS 7 HN CYS 7 -0.128 6.937 -5.913 201 HA CYS 7 HA CYS 7 -2.729 6.040 -4.715 202 1HB CYS 7 HB2 CYS 7 -1.942 8.653 -5.199 203 2HB CYS 7 HB1 CYS 7 -2.844 8.270 -6.668 204 H GLY 8 HN GLY 8 -4.452 5.571 -6.291 205 1HA GLY 8 HA2 GLY 8 -5.243 4.492 -8.209 206 2HA GLY 8 HA1 GLY 8 -3.928 5.267 -9.097 207 H SER 9 HN SER 9 -3.893 3.082 -10.217 208 HA SER 9 HA SER 9 -3.305 0.672 -9.061 209 1HB SER 9 HB2 SER 9 -2.898 1.829 -11.653 210 2HB SER 9 HB1 SER 9 -1.481 0.860 -11.246 211 HG SER 9 HG SER 9 -3.037 -0.452 -12.187 212 H ASP 10 HN ASP 10 -1.268 3.495 -9.214 213 HA ASP 10 HA ASP 10 1.264 2.421 -8.751 214 1HB ASP 10 HB2 ASP 10 0.213 4.845 -7.268 215 2HB ASP 10 HB1 ASP 10 1.862 4.510 -7.772 216 H LEU 11 HN LEU 11 -1.319 3.154 -6.385 217 HA LEU 11 HA LEU 11 -0.072 2.269 -4.023 218 1HB LEU 11 HB2 LEU 11 -2.403 3.284 -4.351 219 2HB LEU 11 HB1 LEU 11 -2.962 1.663 -4.679 220 HG LEU 11 HG LEU 11 -3.332 1.848 -2.388 221 1HD1 LEU 11 HD11 LEU 11 -1.916 -0.115 -2.917 222 2HD1 LEU 11 HD12 LEU 11 -1.806 0.466 -1.266 223 3HD1 LEU 11 HD13 LEU 11 -0.508 0.808 -2.383 224 1HD2 LEU 11 HD21 LEU 11 -0.729 3.270 -2.212 225 2HD2 LEU 11 HD22 LEU 11 -1.729 2.866 -0.824 226 3HD2 LEU 11 HD23 LEU 11 -2.313 3.985 -2.039 227 H VAL 12 HN VAL 12 -2.420 0.274 -5.785 228 HA VAL 12 HA VAL 12 -1.649 -2.171 -4.715 229 HB VAL 12 HB VAL 12 -2.452 -3.175 -6.923 230 1HG1 VAL 12 HG11 VAL 12 -3.920 -2.641 -4.942 231 2HG1 VAL 12 HG12 VAL 12 -4.742 -2.602 -6.504 232 3HG1 VAL 12 HG13 VAL 12 -4.232 -1.114 -5.736 233 1HG2 VAL 12 HG21 VAL 12 -2.893 -0.260 -7.540 234 2HG2 VAL 12 HG22 VAL 12 -3.540 -1.595 -8.470 235 3HG2 VAL 12 HG23 VAL 12 -1.809 -1.348 -8.398 236 H GLU 13 HN GLU 13 -0.162 -0.302 -7.308 237 HA GLU 13 HA GLU 13 1.646 -2.332 -8.171 238 1HB GLU 13 HB2 GLU 13 1.314 0.546 -8.572 239 2HB GLU 13 HB1 GLU 13 2.984 0.099 -8.583 240 1HG GLU 13 HG2 GLU 13 1.331 -1.787 -10.112 241 2HG GLU 13 HG1 GLU 13 1.133 -0.122 -10.667 242 H ALA 14 HN ALA 14 1.797 0.065 -5.549 243 HA ALA 14 HA ALA 14 4.556 -0.683 -4.881 244 1HB ALA 14 HB1 ALA 14 3.917 1.550 -4.361 245 2HB ALA 14 HB2 ALA 14 4.107 0.725 -2.835 246 3HB ALA 14 HB3 ALA 14 2.495 1.010 -3.484 247 H LEU 15 HN LEU 15 1.361 -1.741 -4.226 248 HA LEU 15 HA LEU 15 2.012 -3.223 -1.809 249 1HB LEU 15 HB2 LEU 15 -0.388 -2.841 -3.529 250 2HB LEU 15 HB1 LEU 15 -0.382 -4.119 -2.327 251 HG LEU 15 HG LEU 15 0.075 -1.200 -1.722 252 1HD1 LEU 15 HD11 LEU 15 -2.164 -1.329 -0.756 253 2HD1 LEU 15 HD12 LEU 15 -2.259 -3.023 -1.171 254 3HD1 LEU 15 HD13 LEU 15 -2.246 -1.825 -2.446 255 1HD2 LEU 15 HD21 LEU 15 1.246 -2.654 -0.143 256 2HD2 LEU 15 HD22 LEU 15 -0.197 -3.646 0.033 257 3HD2 LEU 15 HD23 LEU 15 -0.197 -1.982 0.602 258 H TYR 16 HN TYR 16 0.875 -3.914 -5.046 259 HA TYR 16 HA TYR 16 0.999 -6.666 -5.141 260 1HB TYR 16 HB2 TYR 16 1.288 -4.455 -7.128 261 2HB TYR 16 HB1 TYR 16 1.958 -5.989 -7.634 262 HD1 TYR 16 HD1 TYR 16 -0.728 -4.160 -8.172 263 HD2 TYR 16 HD2 TYR 16 0.260 -8.024 -6.585 264 HE1 TYR 16 HE1 TYR 16 -2.974 -4.989 -8.824 265 HE2 TYR 16 HE2 TYR 16 -1.988 -8.864 -7.222 266 HH TYR 16 HH TYR 16 -4.480 -7.360 -7.680 267 H LEU 17 HN LEU 17 3.605 -4.347 -5.438 268 HA LEU 17 HA LEU 17 5.480 -6.499 -6.113 269 1HB LEU 17 HB2 LEU 17 5.467 -3.572 -6.200 270 2HB LEU 17 HB1 LEU 17 6.959 -4.194 -5.506 271 HG LEU 17 HG LEU 17 7.142 -5.785 -7.463 272 1HD1 LEU 17 HD11 LEU 17 5.785 -5.223 -9.457 273 2HD1 LEU 17 HD12 LEU 17 4.863 -4.063 -8.501 274 3HD1 LEU 17 HD13 LEU 17 4.776 -5.785 -8.129 275 1HD2 LEU 17 HD21 LEU 17 7.042 -2.820 -8.108 276 2HD2 LEU 17 HD22 LEU 17 7.921 -4.053 -9.016 277 3HD2 LEU 17 HD23 LEU 17 8.401 -3.667 -7.365 278 H VAL 18 HN VAL 18 4.878 -4.378 -3.340 279 HA VAL 18 HA VAL 18 7.059 -5.285 -1.751 280 HB VAL 18 HB VAL 18 5.587 -4.617 0.225 281 1HG1 VAL 18 HG11 VAL 18 6.982 -2.956 -0.664 282 2HG1 VAL 18 HG12 VAL 18 5.402 -2.186 -0.601 283 3HG1 VAL 18 HG13 VAL 18 6.047 -2.782 -2.136 284 1HG2 VAL 18 HG21 VAL 18 3.481 -3.388 -0.494 285 2HG2 VAL 18 HG22 VAL 18 3.393 -5.135 -0.574 286 3HG2 VAL 18 HG23 VAL 18 3.665 -4.204 -2.009 287 H CYS 19 HN CYS 19 3.705 -6.544 -1.984 288 HA CYS 19 HA CYS 19 4.644 -8.956 -0.492 289 1HB CYS 19 HB2 CYS 19 1.974 -7.596 -0.798 290 2HB CYS 19 HB1 CYS 19 2.021 -9.327 -0.462 291 H GLY 20 HN GLY 20 1.997 -8.503 -2.811 292 1HA GLY 20 HA2 GLY 20 1.577 -9.588 -4.828 293 2HA GLY 20 HA1 GLY 20 3.287 -10.024 -4.907 294 H GLU 21 HN GLU 21 3.897 -11.744 -3.134 295 HA GLU 21 HA GLU 21 2.155 -14.034 -3.579 296 1HB GLU 21 HB2 GLU 21 4.789 -13.520 -2.222 297 2HB GLU 21 HB1 GLU 21 3.919 -14.999 -1.794 298 1HG GLU 21 HG2 GLU 21 3.923 -15.809 -4.012 299 2HG GLU 21 HG1 GLU 21 4.432 -14.247 -4.676 300 H ARG 22 HN ARG 22 1.903 -11.464 -1.456 301 HA ARG 22 HA ARG 22 0.565 -13.179 0.591 302 1HB ARG 22 HB2 ARG 22 1.750 -10.444 0.972 303 2HB ARG 22 HB1 ARG 22 1.042 -11.434 2.212 304 1HG ARG 22 HG2 ARG 22 2.865 -12.695 2.457 305 2HG ARG 22 HG1 ARG 22 3.185 -12.815 0.731 306 1HD ARG 22 HD2 ARG 22 4.241 -10.655 0.702 307 2HD ARG 22 HD1 ARG 22 3.734 -10.348 2.369 308 HE ARG 22 HE ARG 22 5.222 -11.663 3.200 309 1HH1 ARG 22 HH21 ARG 22 6.803 -9.807 2.325 310 2HH1 ARG 22 HH22 ARG 22 8.000 -10.456 1.253 311 1HH2 ARG 22 HH11 ARG 22 6.283 -13.424 0.701 312 2HH2 ARG 22 HH12 ARG 22 7.704 -12.505 0.333 313 H GLY 23 HN GLY 23 -0.165 -11.412 -2.034 314 1HA GLY 23 HA2 GLY 23 -1.994 -10.132 -2.691 315 2HA GLY 23 HA1 GLY 23 -2.874 -11.114 -1.519 316 H PHE 24 HN PHE 24 -3.891 -8.701 -1.680 317 HA PHE 24 HA PHE 24 -3.292 -7.499 0.887 318 1HB PHE 24 HB2 PHE 24 -2.841 -5.187 -0.193 319 2HB PHE 24 HB1 PHE 24 -1.544 -6.361 -0.272 320 HD1 PHE 24 HD1 PHE 24 -4.293 -4.824 -2.215 321 HD2 PHE 24 HD2 PHE 24 -0.795 -7.321 -2.298 322 HE1 PHE 24 HE1 PHE 24 -4.275 -4.721 -4.694 323 HE2 PHE 24 HE2 PHE 24 -0.789 -7.218 -4.751 324 HZ PHE 24 HZ PHE 24 -2.519 -5.891 -5.928 325 H PHE 25 HN PHE 25 -4.568 -4.981 0.360 326 HA PHE 25 HA PHE 25 -6.979 -5.198 -1.036 327 1HB PHE 25 HB2 PHE 25 -7.884 -6.943 0.183 328 2HB PHE 25 HB1 PHE 25 -6.963 -6.553 1.642 329 HD1 PHE 25 HD1 PHE 25 -9.490 -4.816 -0.555 330 HD2 PHE 25 HD2 PHE 25 -8.285 -5.905 3.427 331 HE1 PHE 25 HE1 PHE 25 -11.486 -3.661 0.368 332 HE2 PHE 25 HE2 PHE 25 -10.281 -4.751 4.345 333 HZ PHE 25 HZ PHE 25 -11.880 -3.630 2.816 334 H TYR 26 HN TYR 26 -6.199 -3.033 -1.180 335 HA TYR 26 HA TYR 26 -6.132 -1.371 1.158 336 1HB TYR 26 HB2 TYR 26 -6.121 0.582 -0.488 337 2HB TYR 26 HB1 TYR 26 -4.770 -0.529 -0.574 338 HD1 TYR 26 HD1 TYR 26 -4.761 0.980 -2.747 339 HD2 TYR 26 HD2 TYR 26 -7.451 -2.287 -2.140 340 HE1 TYR 26 HE1 TYR 26 -5.086 0.835 -5.160 341 HE2 TYR 26 HE2 TYR 26 -7.755 -2.476 -4.548 342 HH TYR 26 HH TYR 26 -6.714 -1.860 -6.650 343 H THR 27 HN THR 27 -8.412 -0.753 -1.577 344 HA THR 27 HA THR 27 -10.658 -0.984 0.228 345 HB THR 27 HB THR 27 -11.370 1.436 -0.247 346 HG1 THR 27 HG1 THR 27 -10.014 2.070 -1.858 347 1HG2 THR 27 HG21 THR 27 -10.279 2.234 1.638 348 2HG2 THR 27 HG22 THR 27 -8.802 1.365 1.301 349 3HG2 THR 27 HG23 THR 27 -10.225 0.497 1.897 350 H LYS 28 HN LYS 28 -12.683 -0.897 -0.916 351 HA LYS 28 HA LYS 28 -12.902 -0.296 -3.658 352 1HB LYS 28 HB2 LYS 28 -11.355 -2.496 -3.513 353 2HB LYS 28 HB1 LYS 28 -12.913 -3.291 -3.405 354 1HG LYS 28 HG2 LYS 28 -13.550 -2.704 -5.519 355 2HG LYS 28 HG1 LYS 28 -12.572 -1.224 -5.536 356 1HD LYS 28 HD2 LYS 28 -10.517 -2.717 -5.547 357 2HD LYS 28 HD1 LYS 28 -11.620 -4.073 -5.846 358 1HE LYS 28 HE2 LYS 28 -12.483 -2.313 -7.745 359 2HE LYS 28 HE1 LYS 28 -10.773 -1.868 -7.635 360 1HZ LYS 28 HZ1 LYS 28 -11.146 -3.609 -9.269 361 2HZ LYS 28 HZ2 LYS 28 -11.811 -4.620 -8.090 362 3HZ LYS 28 HZ3 LYS 28 -10.176 -4.180 -8.007 363 HA PRO 29 HA PRO 29 -17.083 -0.997 -2.216 364 1HB PRO 29 HB2 PRO 29 -18.351 -0.269 -4.535 365 2HB PRO 29 HB1 PRO 29 -17.632 0.879 -3.408 366 1HG PRO 29 HG2 PRO 29 -16.619 -0.002 -6.080 367 2HG PRO 29 HG1 PRO 29 -16.348 1.529 -5.232 368 1HD PRO 29 HD2 PRO 29 -14.551 -0.639 -5.402 369 2HD PRO 29 HD1 PRO 29 -14.396 0.769 -4.343 370 H THR 30 HN THR 30 -18.436 -2.790 -2.231 371 HA THR 30 HA THR 30 -19.312 -4.839 -2.863 372 HB THR 30 HB THR 30 -18.502 -4.522 -5.742 373 HG1 THR 30 HG1 THR 30 -19.736 -2.752 -6.053 374 1HG2 THR 30 HG21 THR 30 -21.142 -5.042 -4.343 375 2HG2 THR 30 HG22 THR 30 -20.059 -6.281 -4.984 376 3HG2 THR 30 HG23 THR 30 -20.843 -5.143 -6.078 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -8.686 4.901 5.165 2 2H GLY 1 HT2 GLY 1 -7.457 3.774 4.887 3 3H GLY 1 HT3 GLY 1 -8.778 3.873 3.829 4 1HA GLY 1 HA1 GLY 1 -8.104 5.859 2.888 5 2HA GLY 1 HA2 GLY 1 -7.060 6.229 4.252 6 H ILE 2 HN ILE 2 -7.102 3.062 2.813 7 HA ILE 2 HA ILE 2 -4.419 2.788 2.520 8 HB ILE 2 HB ILE 2 -5.147 1.267 0.408 9 1HG1 ILE 2 HG12 ILE 2 -7.689 1.372 2.025 10 2HG1 ILE 2 HG11 ILE 2 -7.481 2.248 0.515 11 1HG2 ILE 2 HG21 ILE 2 -5.020 -0.514 1.810 12 2HG2 ILE 2 HG22 ILE 2 -6.020 0.231 3.045 13 3HG2 ILE 2 HG23 ILE 2 -4.351 0.710 2.879 14 1HD1 ILE 2 HD11 ILE 2 -7.823 0.432 -0.696 15 2HD1 ILE 2 HD12 ILE 2 -8.425 -0.286 0.798 16 3HD1 ILE 2 HD13 ILE 2 -6.771 -0.564 0.305 17 H VAL 3 HN VAL 3 -6.661 4.094 0.120 18 HA VAL 3 HA VAL 3 -4.474 4.632 -1.714 19 HB VAL 3 HB VAL 3 -6.811 3.802 -2.395 20 1HG1 VAL 3 HG11 VAL 3 -7.502 6.706 -2.119 21 2HG1 VAL 3 HG12 VAL 3 -8.110 5.398 -1.095 22 3HG1 VAL 3 HG13 VAL 3 -8.472 5.438 -2.806 23 1HG2 VAL 3 HG21 VAL 3 -5.539 6.152 -3.757 24 2HG2 VAL 3 HG22 VAL 3 -6.752 5.115 -4.497 25 3HG2 VAL 3 HG23 VAL 3 -5.203 4.463 -4.041 26 H GLU 4 HN GLU 4 -6.866 6.463 0.155 27 HA GLU 4 HA GLU 4 -6.129 9.018 -0.751 28 1HB GLU 4 HB2 GLU 4 -7.276 8.253 1.938 29 2HB GLU 4 HB1 GLU 4 -7.303 9.860 1.215 30 1HG GLU 4 HG2 GLU 4 -8.825 9.214 -0.444 31 2HG GLU 4 HG1 GLU 4 -8.610 7.499 -0.119 32 H GLN 5 HN GLN 5 -5.077 7.190 2.107 33 HA GLN 5 HA GLN 5 -3.362 9.193 3.117 34 1HB GLN 5 HB2 GLN 5 -4.285 7.207 4.363 35 2HB GLN 5 HB1 GLN 5 -3.090 6.210 3.564 36 1HG GLN 5 HG2 GLN 5 -1.719 6.671 5.228 37 2HG GLN 5 HG1 GLN 5 -1.584 8.309 4.598 38 1HE2 GLN 5 HE21 GLN 5 -3.565 6.275 6.733 39 2HE2 GLN 5 HE22 GLN 5 -3.951 7.545 7.838 40 H CYS 6 HN CYS 6 -2.386 6.074 1.651 41 HA CYS 6 HA CYS 6 0.278 6.697 1.348 42 1HB CYS 6 HB2 CYS 6 -1.574 4.746 0.093 43 2HB CYS 6 HB1 CYS 6 -0.084 5.017 -0.738 44 H CYS 7 HN CYS 7 -2.390 7.651 -0.695 45 HA CYS 7 HA CYS 7 -0.872 8.358 -2.969 46 1HB CYS 7 HB2 CYS 7 -3.263 8.113 -3.077 47 2HB CYS 7 HB1 CYS 7 -3.514 9.447 -1.980 48 H THR 8 HN THR 8 -2.355 10.560 -0.600 49 HA THR 8 HA THR 8 -1.572 12.978 -1.101 50 HB THR 8 HB THR 8 -1.289 13.492 1.193 51 HG1 THR 8 HG1 THR 8 -0.636 10.774 1.742 52 1HG2 THR 8 HG21 THR 8 -2.750 10.990 1.698 53 2HG2 THR 8 HG22 THR 8 -3.434 12.064 0.472 54 3HG2 THR 8 HG23 THR 8 -3.152 12.647 2.106 55 H SER 9 HN SER 9 0.814 10.773 0.354 56 HA SER 9 HA SER 9 2.966 12.407 -0.854 57 1HB SER 9 HB2 SER 9 4.300 11.091 1.070 58 2HB SER 9 HB1 SER 9 3.447 12.593 1.372 59 HG SER 9 HG SER 9 2.931 11.010 2.911 60 H ILE 10 HN ILE 10 5.053 10.735 -0.720 61 HA ILE 10 HA ILE 10 4.307 8.668 -2.649 62 HB ILE 10 HB ILE 10 7.093 9.486 -1.777 63 1HG1 ILE 10 HG12 ILE 10 7.096 10.693 -3.986 64 2HG1 ILE 10 HG11 ILE 10 5.370 10.464 -4.072 65 1HG2 ILE 10 HG21 ILE 10 6.322 7.233 -3.130 66 2HG2 ILE 10 HG22 ILE 10 7.874 8.017 -3.260 67 3HG2 ILE 10 HG23 ILE 10 6.622 8.383 -4.402 68 1HD1 ILE 10 HD11 ILE 10 4.962 12.039 -2.493 69 2HD1 ILE 10 HD12 ILE 10 6.467 12.659 -3.146 70 3HD1 ILE 10 HD13 ILE 10 6.485 11.757 -1.639 71 H CYS 11 HN CYS 11 3.244 7.367 -1.066 72 HA CYS 11 HA CYS 11 4.174 6.420 1.288 73 1HB CYS 11 HB2 CYS 11 2.084 5.726 -0.396 74 2HB CYS 11 HB1 CYS 11 2.997 4.228 -0.291 75 H SER 12 HN SER 12 5.545 4.907 2.070 76 HA SER 12 HA SER 12 7.593 3.931 0.228 77 1HB SER 12 HB2 SER 12 7.378 4.340 3.168 78 2HB SER 12 HB1 SER 12 8.408 3.012 2.636 79 HG SER 12 HG SER 12 9.632 4.868 2.736 80 H LEU 13 HN LEU 13 7.794 1.863 -0.369 81 HA LEU 13 HA LEU 13 5.767 0.065 -0.446 82 1HB LEU 13 HB2 LEU 13 8.729 -0.323 -0.457 83 2HB LEU 13 HB1 LEU 13 7.664 -1.715 -0.577 84 HG LEU 13 HG LEU 13 6.768 -0.998 -2.636 85 1HD1 LEU 13 HD11 LEU 13 8.131 1.633 -2.201 86 2HD1 LEU 13 HD12 LEU 13 6.389 1.325 -2.170 87 3HD1 LEU 13 HD13 LEU 13 7.288 1.144 -3.661 88 1HD2 LEU 13 HD21 LEU 13 9.011 -1.980 -2.781 89 2HD2 LEU 13 HD22 LEU 13 9.711 -0.364 -2.667 90 3HD2 LEU 13 HD23 LEU 13 8.724 -0.804 -4.062 91 H TYR 14 HN TYR 14 8.083 0.500 2.138 92 HA TYR 14 HA TYR 14 7.645 -1.766 3.645 93 1HB TYR 14 HB2 TYR 14 9.334 -0.093 4.215 94 2HB TYR 14 HB1 TYR 14 8.076 1.077 4.602 95 HD1 TYR 14 HD1 TYR 14 8.550 -2.534 5.499 96 HD2 TYR 14 HD2 TYR 14 8.115 1.468 6.894 97 HE1 TYR 14 HE1 TYR 14 8.548 -3.345 7.816 98 HE2 TYR 14 HE2 TYR 14 8.117 0.662 9.214 99 HH TYR 14 HH TYR 14 9.235 -1.892 10.278 100 H GLN 15 HN GLN 15 5.700 1.146 3.337 101 HA GLN 15 HA GLN 15 3.762 0.274 5.309 102 1HB GLN 15 HB2 GLN 15 3.615 2.576 3.346 103 2HB GLN 15 HB1 GLN 15 2.570 2.320 4.740 104 1HG GLN 15 HG2 GLN 15 5.548 2.617 5.079 105 2HG GLN 15 HG1 GLN 15 4.504 4.017 4.874 106 1HE2 GLN 15 HE21 GLN 15 5.048 1.159 6.879 107 2HE2 GLN 15 HE22 GLN 15 4.350 1.833 8.308 108 H LEU 16 HN LEU 16 4.259 0.227 1.873 109 HA LEU 16 HA LEU 16 1.627 -0.414 1.122 110 1HB LEU 16 HB2 LEU 16 3.605 0.435 -0.307 111 2HB LEU 16 HB1 LEU 16 4.109 -1.246 -0.379 112 HG LEU 16 HG LEU 16 2.069 -1.852 -1.503 113 1HD1 LEU 16 HD11 LEU 16 0.515 0.001 -2.242 114 2HD1 LEU 16 HD12 LEU 16 1.287 1.009 -1.013 115 3HD1 LEU 16 HD13 LEU 16 0.429 -0.459 -0.551 116 1HD2 LEU 16 HD21 LEU 16 2.364 -0.682 -3.566 117 2HD2 LEU 16 HD22 LEU 16 3.944 -1.009 -2.841 118 3HD2 LEU 16 HD23 LEU 16 3.253 0.605 -2.767 119 H GLU 17 HN GLU 17 4.234 -2.245 2.492 120 HA GLU 17 HA GLU 17 3.324 -4.805 1.608 121 1HB GLU 17 HB2 GLU 17 5.001 -5.720 2.970 122 2HB GLU 17 HB1 GLU 17 5.670 -4.221 2.356 123 1HG GLU 17 HG2 GLU 17 6.171 -3.656 4.415 124 2HG GLU 17 HG1 GLU 17 4.454 -3.494 4.774 125 H ASN 18 HN ASN 18 2.182 -2.592 3.924 126 HA ASN 18 HA ASN 18 1.125 -4.533 5.768 127 1HB ASN 18 HB2 ASN 18 1.817 -2.187 6.386 128 2HB ASN 18 HB1 ASN 18 0.398 -1.599 5.524 129 1HD2 ASN 18 HD21 ASN 18 1.292 -4.007 7.998 130 2HD2 ASN 18 HD22 ASN 18 -0.090 -3.715 8.993 131 H TYR 19 HN TYR 19 0.283 -3.924 2.672 132 HA TYR 19 HA TYR 19 -2.616 -3.953 3.098 133 1HB TYR 19 HB2 TYR 19 -0.896 -3.565 0.662 134 2HB TYR 19 HB1 TYR 19 -2.637 -3.766 0.569 135 HD1 TYR 19 HD1 TYR 19 -3.062 -1.637 -0.438 136 HD2 TYR 19 HD2 TYR 19 -0.942 -1.814 3.244 137 HE1 TYR 19 HE1 TYR 19 -3.296 0.784 -0.169 138 HE2 TYR 19 HE2 TYR 19 -1.197 0.577 3.535 139 HH TYR 19 HH TYR 19 -2.329 2.441 2.785 140 H CYS 20 HN CYS 20 0.062 -5.943 2.199 141 HA CYS 20 HA CYS 20 -0.941 -7.939 0.689 142 1HB CYS 20 HB2 CYS 20 0.780 -8.528 3.074 143 2HB CYS 20 HB1 CYS 20 0.715 -9.372 1.534 144 H ASN 21 HN ASN 21 -2.227 -9.752 0.934 145 HA ASN 21 HA ASN 21 -3.213 -10.460 3.594 146 1HB ASN 21 HB2 ASN 21 -5.209 -9.494 3.406 147 2HB ASN 21 HB1 ASN 21 -4.717 -8.757 1.890 148 1HD2 ASN 21 HD21 ASN 21 -5.996 -9.205 0.217 149 2HD2 ASN 21 HD22 ASN 21 -6.988 -10.589 0.052 150 1H PHE 1 HT1 PHE 1 11.406 3.608 -1.890 151 2H PHE 1 HT2 PHE 1 11.135 1.933 -1.738 152 3H PHE 1 HT3 PHE 1 10.301 2.825 -2.902 153 HA PHE 1 HA PHE 1 13.181 2.324 -2.729 154 1HB PHE 1 HB2 PHE 1 12.957 0.851 -4.556 155 2HB PHE 1 HB1 PHE 1 11.660 0.419 -3.451 156 HD1 PHE 1 HD1 PHE 1 9.611 2.463 -4.079 157 HD2 PHE 1 HD2 PHE 1 12.163 0.235 -6.653 158 HE1 PHE 1 HE1 PHE 1 7.994 2.728 -5.868 159 HE2 PHE 1 HE2 PHE 1 10.521 0.482 -8.465 160 HZ PHE 1 HZ PHE 1 8.434 1.729 -8.075 161 H VAL 2 HN VAL 2 10.606 4.244 -4.062 162 HA VAL 2 HA VAL 2 12.540 6.007 -5.312 163 HB VAL 2 HB VAL 2 11.435 6.116 -7.435 164 1HG1 VAL 2 HG11 VAL 2 13.096 4.332 -7.155 165 2HG1 VAL 2 HG12 VAL 2 11.872 3.955 -8.364 166 3HG1 VAL 2 HG13 VAL 2 11.796 3.228 -6.783 167 1HG2 VAL 2 HG21 VAL 2 9.238 5.850 -7.289 168 2HG2 VAL 2 HG22 VAL 2 9.295 4.613 -6.052 169 3HG2 VAL 2 HG23 VAL 2 9.576 4.198 -7.748 170 H ASN 3 HN ASN 3 10.946 7.799 -6.502 171 HA ASN 3 HA ASN 3 9.240 8.713 -4.306 172 1HB ASN 3 HB2 ASN 3 11.205 10.115 -5.189 173 2HB ASN 3 HB1 ASN 3 10.178 10.448 -6.579 174 1HD2 ASN 3 HD21 ASN 3 8.339 11.730 -6.304 175 2HD2 ASN 3 HD22 ASN 3 8.090 12.662 -4.871 176 H GLN 4 HN GLN 4 8.039 6.799 -5.572 177 HA GLN 4 HA GLN 4 6.381 7.973 -7.686 178 1HB GLN 4 HB2 GLN 4 6.870 5.989 -8.584 179 2HB GLN 4 HB1 GLN 4 7.319 5.287 -7.046 180 1HG GLN 4 HG2 GLN 4 5.185 4.640 -6.508 181 2HG GLN 4 HG1 GLN 4 4.450 5.703 -7.713 182 1HE2 GLN 4 HE21 GLN 4 4.959 5.210 -10.003 183 2HE2 GLN 4 HE22 GLN 4 5.048 3.539 -10.434 184 H ALA 5 HN ALA 5 4.282 8.454 -7.367 185 HA ALA 5 HA ALA 5 3.194 8.602 -4.775 186 1HB ALA 5 HB1 ALA 5 1.516 8.495 -7.276 187 2HB ALA 5 HB2 ALA 5 2.479 9.903 -6.833 188 3HB ALA 5 HB3 ALA 5 1.198 9.349 -5.764 189 H LEU 6 HN LEU 6 0.577 7.539 -4.938 190 HA LEU 6 HA LEU 6 1.046 4.662 -5.207 191 1HB LEU 6 HB2 LEU 6 0.491 6.185 -2.791 192 2HB LEU 6 HB1 LEU 6 -0.574 4.824 -3.017 193 HG LEU 6 HG LEU 6 1.373 4.156 -1.723 194 1HD1 LEU 6 HD11 LEU 6 1.251 2.192 -2.702 195 2HD1 LEU 6 HD12 LEU 6 2.186 2.729 -4.060 196 3HD1 LEU 6 HD13 LEU 6 0.469 2.932 -4.062 197 1HD2 LEU 6 HD21 LEU 6 3.541 4.494 -2.371 198 2HD2 LEU 6 HD22 LEU 6 2.811 5.962 -2.990 199 3HD2 LEU 6 HD23 LEU 6 3.149 4.605 -4.066 200 H CYS 7 HN CYS 7 -1.508 6.944 -4.420 201 HA CYS 7 HA CYS 7 -3.744 5.659 -4.862 202 1HB CYS 7 HB2 CYS 7 -4.465 7.762 -6.393 203 2HB CYS 7 HB1 CYS 7 -4.323 7.829 -4.659 204 H GLY 8 HN GLY 8 -5.146 4.963 -6.526 205 1HA GLY 8 HA2 GLY 8 -5.714 4.225 -8.622 206 2HA GLY 8 HA1 GLY 8 -4.323 5.070 -9.284 207 H SER 9 HN SER 9 -2.911 3.743 -10.222 208 HA SER 9 HA SER 9 -2.901 0.925 -9.516 209 1HB SER 9 HB2 SER 9 -2.530 2.357 -11.908 210 2HB SER 9 HB1 SER 9 -0.989 1.589 -11.574 211 HG SER 9 HG SER 9 -2.000 -0.391 -11.563 212 H ASP 10 HN ASP 10 -0.953 3.772 -9.035 213 HA ASP 10 HA ASP 10 1.562 2.698 -8.689 214 1HB ASP 10 HB2 ASP 10 0.154 5.067 -7.561 215 2HB ASP 10 HB1 ASP 10 1.636 4.552 -6.790 216 H LEU 11 HN LEU 11 -1.236 2.189 -6.715 217 HA LEU 11 HA LEU 11 0.266 1.136 -4.479 218 1HB LEU 11 HB2 LEU 11 -2.643 1.127 -5.204 219 2HB LEU 11 HB1 LEU 11 -2.030 0.320 -3.772 220 HG LEU 11 HG LEU 11 -1.560 3.244 -4.200 221 1HD1 LEU 11 HD11 LEU 11 -3.974 2.739 -4.445 222 2HD1 LEU 11 HD12 LEU 11 -3.549 3.778 -3.096 223 3HD1 LEU 11 HD13 LEU 11 -3.913 2.089 -2.805 224 1HD2 LEU 11 HD21 LEU 11 -0.975 3.302 -1.990 225 2HD2 LEU 11 HD22 LEU 11 -0.517 1.669 -2.367 226 3HD2 LEU 11 HD23 LEU 11 -2.024 1.968 -1.575 227 H VAL 12 HN VAL 12 -2.271 -0.456 -6.343 228 HA VAL 12 HA VAL 12 -1.561 -3.033 -5.896 229 HB VAL 12 HB VAL 12 -2.562 -3.581 -8.109 230 1HG1 VAL 12 HG11 VAL 12 -3.940 -3.126 -6.073 231 2HG1 VAL 12 HG12 VAL 12 -4.759 -2.823 -7.606 232 3HG1 VAL 12 HG13 VAL 12 -4.134 -1.475 -6.663 233 1HG2 VAL 12 HG21 VAL 12 -2.416 -0.604 -8.461 234 2HG2 VAL 12 HG22 VAL 12 -3.546 -1.596 -9.361 235 3HG2 VAL 12 HG23 VAL 12 -1.822 -1.863 -9.530 236 H GLU 13 HN GLU 13 -0.227 -0.898 -8.402 237 HA GLU 13 HA GLU 13 1.414 -2.769 -9.630 238 1HB GLU 13 HB2 GLU 13 1.667 0.197 -9.392 239 2HB GLU 13 HB1 GLU 13 2.740 -0.786 -10.364 240 1HG GLU 13 HG2 GLU 13 0.418 -1.611 -11.396 241 2HG GLU 13 HG1 GLU 13 -0.069 -0.053 -10.837 242 H ALA 14 HN ALA 14 2.036 -0.520 -7.013 243 HA ALA 14 HA ALA 14 4.719 -1.558 -6.616 244 1HB ALA 14 HB1 ALA 14 4.347 0.773 -6.240 245 2HB ALA 14 HB2 ALA 14 4.754 0.022 -4.704 246 3HB ALA 14 HB3 ALA 14 3.083 0.441 -5.077 247 H LEU 15 HN LEU 15 1.578 -2.390 -5.640 248 HA LEU 15 HA LEU 15 2.308 -3.547 -3.156 249 1HB LEU 15 HB2 LEU 15 -0.049 -2.626 -4.265 250 2HB LEU 15 HB1 LEU 15 -0.276 -4.313 -4.147 251 HG LEU 15 HG LEU 15 0.145 -2.318 -1.994 252 1HD1 LEU 15 HD11 LEU 15 -2.006 -2.593 -1.865 253 2HD1 LEU 15 HD12 LEU 15 -1.708 -4.185 -1.259 254 3HD1 LEU 15 HD13 LEU 15 -2.010 -3.943 -2.958 255 1HD2 LEU 15 HD21 LEU 15 1.734 -3.889 -1.288 256 2HD2 LEU 15 HD22 LEU 15 0.784 -5.241 -1.883 257 3HD2 LEU 15 HD23 LEU 15 0.279 -4.376 -0.450 258 H TYR 16 HN TYR 16 0.763 -4.950 -6.089 259 HA TYR 16 HA TYR 16 1.232 -7.593 -5.270 260 1HB TYR 16 HB2 TYR 16 0.985 -8.222 -7.677 261 2HB TYR 16 HB1 TYR 16 -0.340 -7.331 -7.015 262 HD1 TYR 16 HD1 TYR 16 2.891 -6.540 -8.752 263 HD2 TYR 16 HD2 TYR 16 -1.298 -5.841 -8.495 264 HE1 TYR 16 HE1 TYR 16 3.041 -5.036 -10.663 265 HE2 TYR 16 HE2 TYR 16 -1.158 -4.340 -10.432 266 HH TYR 16 HH TYR 16 1.824 -3.211 -11.708 267 H LEU 17 HN LEU 17 3.393 -5.241 -6.592 268 HA LEU 17 HA LEU 17 5.235 -7.286 -7.457 269 1HB LEU 17 HB2 LEU 17 4.755 -4.706 -8.248 270 2HB LEU 17 HB1 LEU 17 6.203 -4.509 -7.282 271 HG LEU 17 HG LEU 17 7.322 -6.228 -8.657 272 1HD1 LEU 17 HD11 LEU 17 6.095 -6.852 -10.808 273 2HD1 LEU 17 HD12 LEU 17 4.632 -6.275 -10.027 274 3HD1 LEU 17 HD13 LEU 17 5.529 -7.621 -9.336 275 1HD2 LEU 17 HD21 LEU 17 6.065 -3.998 -10.271 276 2HD2 LEU 17 HD22 LEU 17 7.520 -4.899 -10.701 277 3HD2 LEU 17 HD23 LEU 17 7.517 -3.860 -9.278 278 H VAL 18 HN VAL 18 4.602 -5.465 -4.616 279 HA VAL 18 HA VAL 18 7.238 -5.918 -3.495 280 HB VAL 18 HB VAL 18 6.104 -5.138 -1.313 281 1HG1 VAL 18 HG11 VAL 18 7.560 -3.660 -2.348 282 2HG1 VAL 18 HG12 VAL 18 6.078 -2.740 -2.132 283 3HG1 VAL 18 HG13 VAL 18 6.493 -3.386 -3.721 284 1HG2 VAL 18 HG21 VAL 18 3.974 -4.431 -3.243 285 2HG2 VAL 18 HG22 VAL 18 4.083 -3.743 -1.667 286 3HG2 VAL 18 HG23 VAL 18 3.790 -5.456 -1.854 287 H CYS 19 HN CYS 19 3.903 -7.101 -2.829 288 HA CYS 19 HA CYS 19 5.075 -9.279 -1.265 289 1HB CYS 19 HB2 CYS 19 2.440 -7.965 -1.352 290 2HB CYS 19 HB1 CYS 19 2.361 -9.717 -1.193 291 H GLY 20 HN GLY 20 2.517 -9.075 -3.754 292 1HA GLY 20 HA2 GLY 20 2.084 -10.441 -5.533 293 2HA GLY 20 HA1 GLY 20 3.752 -10.992 -5.448 294 H GLU 21 HN GLU 21 4.214 -12.551 -3.636 295 HA GLU 21 HA GLU 21 2.508 -14.797 -3.871 296 1HB GLU 21 HB2 GLU 21 4.571 -14.397 -1.700 297 2HB GLU 21 HB1 GLU 21 3.995 -15.908 -2.400 298 1HG GLU 21 HG2 GLU 21 4.995 -14.694 -4.609 299 2HG GLU 21 HG1 GLU 21 6.022 -13.993 -3.358 300 H ARG 22 HN ARG 22 2.418 -12.042 -1.782 301 HA ARG 22 HA ARG 22 0.508 -13.419 -0.007 302 1HB ARG 22 HB2 ARG 22 1.819 -10.840 0.670 303 2HB ARG 22 HB1 ARG 22 1.137 -12.038 1.733 304 1HG ARG 22 HG2 ARG 22 3.286 -13.294 0.372 305 2HG ARG 22 HG1 ARG 22 3.844 -11.685 0.822 306 1HD ARG 22 HD2 ARG 22 2.380 -13.135 2.945 307 2HD ARG 22 HD1 ARG 22 3.875 -13.884 2.396 308 HE ARG 22 HE ARG 22 4.145 -11.072 2.952 309 1HH1 ARG 22 HH11 ARG 22 4.198 -14.295 4.362 310 2HH1 ARG 22 HH12 ARG 22 5.193 -13.813 5.681 311 1HH2 ARG 22 HH21 ARG 22 5.456 -10.470 4.711 312 2HH2 ARG 22 HH22 ARG 22 5.905 -11.655 5.892 313 H GLY 23 HN GLY 23 0.221 -11.927 -2.732 314 1HA GLY 23 HA2 GLY 23 -1.132 -10.321 -3.661 315 2HA GLY 23 HA1 GLY 23 -2.314 -11.096 -2.616 316 H PHE 24 HN PHE 24 -3.508 -9.304 -2.082 317 HA PHE 24 HA PHE 24 -2.512 -7.654 -0.017 318 1HB PHE 24 HB2 PHE 24 -2.886 -5.500 -1.299 319 2HB PHE 24 HB1 PHE 24 -1.382 -6.354 -1.582 320 HD1 PHE 24 HD1 PHE 24 -4.880 -6.598 -2.934 321 HD2 PHE 24 HD2 PHE 24 -0.727 -6.180 -3.770 322 HE1 PHE 24 HE1 PHE 24 -5.377 -6.569 -5.323 323 HE2 PHE 24 HE2 PHE 24 -1.243 -6.097 -6.165 324 HZ PHE 24 HZ PHE 24 -3.551 -6.325 -6.958 325 H PHE 25 HN PHE 25 -4.110 -5.662 0.286 326 HA PHE 25 HA PHE 25 -6.841 -6.719 -0.121 327 1HB PHE 25 HB2 PHE 25 -5.992 -7.082 2.195 328 2HB PHE 25 HB1 PHE 25 -5.806 -5.344 2.370 329 HD1 PHE 25 HD1 PHE 25 -7.603 -4.068 3.143 330 HD2 PHE 25 HD2 PHE 25 -8.336 -7.968 1.585 331 HE1 PHE 25 HE1 PHE 25 -9.947 -3.915 3.862 332 HE2 PHE 25 HE2 PHE 25 -10.679 -7.816 2.306 333 HZ PHE 25 HZ PHE 25 -11.490 -5.788 3.445 334 H TYR 26 HN TYR 26 -5.219 -4.599 -1.554 335 HA TYR 26 HA TYR 26 -6.204 -2.069 -0.824 336 1HB TYR 26 HB2 TYR 26 -4.306 -2.302 -2.327 337 2HB TYR 26 HB1 TYR 26 -5.331 -3.071 -3.539 338 HD1 TYR 26 HD1 TYR 26 -5.632 -1.613 -5.329 339 HD2 TYR 26 HD2 TYR 26 -5.709 -0.024 -1.409 340 HE1 TYR 26 HE1 TYR 26 -6.167 0.595 -6.254 341 HE2 TYR 26 HE2 TYR 26 -6.284 2.161 -2.294 342 HH TYR 26 HH TYR 26 -5.929 3.028 -5.498 343 H THR 27 HN THR 27 -8.435 -2.265 -0.377 344 HA THR 27 HA THR 27 -10.139 -2.528 -2.785 345 HB THR 27 HB THR 27 -11.801 -3.654 -1.526 346 HG1 THR 27 HG1 THR 27 -11.849 -2.852 0.462 347 1HG2 THR 27 HG21 THR 27 -9.538 -4.927 -2.098 348 2HG2 THR 27 HG22 THR 27 -10.876 -5.685 -1.239 349 3HG2 THR 27 HG23 THR 27 -9.497 -5.073 -0.341 350 H LYS 28 HN LYS 28 -12.423 -1.651 -2.212 351 HA LYS 28 HA LYS 28 -12.705 0.444 -0.359 352 1HB LYS 28 HB2 LYS 28 -12.543 2.390 -1.828 353 2HB LYS 28 HB1 LYS 28 -11.020 1.572 -1.757 354 1HG LYS 28 HG2 LYS 28 -11.209 0.726 -3.908 355 2HG LYS 28 HG1 LYS 28 -12.932 1.029 -3.997 356 1HD LYS 28 HD2 LYS 28 -11.755 2.659 -5.326 357 2HD LYS 28 HD1 LYS 28 -12.507 3.446 -3.938 358 1HE LYS 28 HE2 LYS 28 -9.705 2.510 -3.612 359 2HE LYS 28 HE1 LYS 28 -9.996 3.904 -4.647 360 1HZ LYS 28 HZ1 LYS 28 -10.357 5.187 -2.905 361 2HZ LYS 28 HZ2 LYS 28 -9.789 3.929 -1.929 362 3HZ LYS 28 HZ3 LYS 28 -11.439 4.121 -2.183 363 HA PRO 29 HA PRO 29 -16.934 0.220 -1.576 364 1HB PRO 29 HB2 PRO 29 -17.194 3.154 -1.849 365 2HB PRO 29 HB1 PRO 29 -17.975 2.037 -0.726 366 1HG PRO 29 HG2 PRO 29 -16.074 3.726 0.086 367 2HG PRO 29 HG1 PRO 29 -16.212 2.093 0.765 368 1HD PRO 29 HD2 PRO 29 -14.337 3.128 -1.326 369 2HD PRO 29 HD1 PRO 29 -14.000 2.073 0.066 370 H THR 30 HN THR 30 -14.849 0.704 -3.833 371 HA THR 30 HA THR 30 -16.821 1.075 -5.939 372 HB THR 30 HB THR 30 -14.523 2.234 -6.997 373 HG1 THR 30 HG1 THR 30 -13.890 3.768 -5.465 374 1HG2 THR 30 HG21 THR 30 -16.782 3.069 -7.335 375 2HG2 THR 30 HG22 THR 30 -15.669 4.351 -6.856 376 3HG2 THR 30 HG23 THR 30 -16.803 3.684 -5.682 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -5.845 5.794 7.058 2 2H GLY 1 HT2 GLY 1 -6.790 7.069 6.487 3 3H GLY 1 HT3 GLY 1 -5.303 6.725 5.757 4 1HA GLY 1 HA1 GLY 1 -7.507 4.754 5.846 5 2HA GLY 1 HA2 GLY 1 -7.458 5.895 4.571 6 H ILE 2 HN ILE 2 -7.631 3.739 3.474 7 HA ILE 2 HA ILE 2 -5.198 2.158 3.359 8 HB ILE 2 HB ILE 2 -7.736 2.267 1.702 9 1HG1 ILE 2 HG12 ILE 2 -7.751 1.257 4.037 10 2HG1 ILE 2 HG11 ILE 2 -8.179 0.113 2.754 11 1HG2 ILE 2 HG21 ILE 2 -6.893 0.166 0.620 12 2HG2 ILE 2 HG22 ILE 2 -5.317 0.487 1.293 13 3HG2 ILE 2 HG23 ILE 2 -6.016 1.601 0.146 14 1HD1 ILE 2 HD11 ILE 2 -6.050 -0.912 2.794 15 2HD1 ILE 2 HD12 ILE 2 -6.519 -0.710 4.469 16 3HD1 ILE 2 HD13 ILE 2 -5.338 0.368 3.771 17 H VAL 3 HN VAL 3 -6.838 4.171 0.936 18 HA VAL 3 HA VAL 3 -4.260 4.430 -0.532 19 HB VAL 3 HB VAL 3 -7.056 5.384 -1.251 20 1HG1 VAL 3 HG11 VAL 3 -5.913 5.390 -3.580 21 2HG1 VAL 3 HG12 VAL 3 -4.396 5.382 -2.688 22 3HG1 VAL 3 HG13 VAL 3 -5.548 6.705 -2.475 23 1HG2 VAL 3 HG21 VAL 3 -6.958 3.455 -2.844 24 2HG2 VAL 3 HG22 VAL 3 -6.976 2.963 -1.157 25 3HG2 VAL 3 HG23 VAL 3 -5.463 2.930 -2.065 26 H GLU 4 HN GLU 4 -6.625 6.373 1.249 27 HA GLU 4 HA GLU 4 -5.613 8.933 0.588 28 1HB GLU 4 HB2 GLU 4 -6.887 9.721 2.427 29 2HB GLU 4 HB1 GLU 4 -7.739 8.280 1.885 30 1HG GLU 4 HG2 GLU 4 -7.645 7.641 4.005 31 2HG GLU 4 HG1 GLU 4 -5.984 7.155 3.667 32 H GLN 5 HN GLN 5 -4.120 6.411 2.394 33 HA GLN 5 HA GLN 5 -2.419 8.303 3.904 34 1HB GLN 5 HB2 GLN 5 -3.340 6.282 5.020 35 2HB GLN 5 HB1 GLN 5 -2.439 5.261 3.895 36 1HG GLN 5 HG2 GLN 5 -0.405 5.747 4.830 37 2HG GLN 5 HG1 GLN 5 -0.891 7.366 5.360 38 1HE2 GLN 5 HE21 GLN 5 -2.121 7.541 7.353 39 2HE2 GLN 5 HE22 GLN 5 -2.149 6.227 8.474 40 H CYS 6 HN CYS 6 -2.012 5.575 1.602 41 HA CYS 6 HA CYS 6 0.774 6.406 1.154 42 1HB CYS 6 HB2 CYS 6 -0.944 4.169 0.027 43 2HB CYS 6 HB1 CYS 6 0.721 4.441 -0.485 44 H CYS 7 HN CYS 7 -2.303 6.981 -0.309 45 HA CYS 7 HA CYS 7 -1.263 7.579 -2.903 46 1HB CYS 7 HB2 CYS 7 -3.618 7.165 -2.692 47 2HB CYS 7 HB1 CYS 7 -3.819 8.509 -1.575 48 H THR 8 HN THR 8 -2.348 9.734 -0.292 49 HA THR 8 HA THR 8 -1.117 12.045 -1.576 50 HB THR 8 HB THR 8 -1.689 13.198 0.577 51 HG1 THR 8 HG1 THR 8 -1.443 11.660 2.121 52 1HG2 THR 8 HG21 THR 8 -3.388 12.934 -1.201 53 2HG2 THR 8 HG22 THR 8 -4.107 12.905 0.408 54 3HG2 THR 8 HG23 THR 8 -3.888 11.400 -0.482 55 H SER 9 HN SER 9 0.789 13.176 -0.768 56 HA SER 9 HA SER 9 2.989 13.216 -0.014 57 1HB SER 9 HB2 SER 9 1.394 12.108 2.147 58 2HB SER 9 HB1 SER 9 2.985 11.379 2.182 59 HG SER 9 HG SER 9 3.887 13.362 2.416 60 H ILE 10 HN ILE 10 4.566 11.120 1.101 61 HA ILE 10 HA ILE 10 4.523 9.149 -1.159 62 HB ILE 10 HB ILE 10 7.079 8.990 -0.202 63 1HG1 ILE 10 HG12 ILE 10 6.507 10.959 1.384 64 2HG1 ILE 10 HG11 ILE 10 7.918 11.156 0.346 65 1HG2 ILE 10 HG21 ILE 10 6.878 9.199 -2.438 66 2HG2 ILE 10 HG22 ILE 10 7.518 10.781 -2.091 67 3HG2 ILE 10 HG23 ILE 10 5.791 10.585 -2.391 68 1HD1 ILE 10 HD11 ILE 10 7.052 12.905 -0.687 69 2HD1 ILE 10 HD12 ILE 10 5.763 12.890 0.502 70 3HD1 ILE 10 HD13 ILE 10 5.531 12.108 -1.044 71 H CYS 11 HN CYS 11 4.193 7.057 -0.575 72 HA CYS 11 HA CYS 11 4.177 6.435 2.328 73 1HB CYS 11 HB2 CYS 11 2.497 5.685 0.248 74 2HB CYS 11 HB1 CYS 11 3.473 4.236 0.469 75 H SER 12 HN SER 12 5.283 4.540 3.158 76 HA SER 12 HA SER 12 7.865 4.079 1.763 77 1HB SER 12 HB2 SER 12 7.313 2.728 4.357 78 2HB SER 12 HB1 SER 12 8.736 3.623 3.817 79 HG SER 12 HG SER 12 7.780 5.505 4.370 80 H LEU 13 HN LEU 13 8.105 2.284 0.510 81 HA LEU 13 HA LEU 13 6.123 0.417 -0.055 82 1HB LEU 13 HB2 LEU 13 9.094 0.473 -0.280 83 2HB LEU 13 HB1 LEU 13 8.386 -1.147 -0.323 84 HG LEU 13 HG LEU 13 7.014 -0.643 -2.192 85 1HD1 LEU 13 HD11 LEU 13 7.659 2.212 -1.505 86 2HD1 LEU 13 HD12 LEU 13 6.090 1.472 -1.748 87 3HD1 LEU 13 HD13 LEU 13 7.131 1.763 -3.116 88 1HD2 LEU 13 HD21 LEU 13 9.391 -1.002 -2.748 89 2HD2 LEU 13 HD22 LEU 13 9.689 0.731 -2.605 90 3HD2 LEU 13 HD23 LEU 13 8.632 0.117 -3.878 91 H TYR 14 HN TYR 14 8.277 0.408 2.696 92 HA TYR 14 HA TYR 14 7.622 -2.273 3.529 93 1HB TYR 14 HB2 TYR 14 9.611 -1.134 4.418 94 2HB TYR 14 HB1 TYR 14 8.596 0.124 5.141 95 HD1 TYR 14 HD1 TYR 14 10.001 -3.164 5.570 96 HD2 TYR 14 HD2 TYR 14 6.872 -0.580 6.871 97 HE1 TYR 14 HE1 TYR 14 9.674 -4.567 7.592 98 HE2 TYR 14 HE2 TYR 14 6.523 -1.944 8.896 99 HH TYR 14 HH TYR 14 8.539 -3.883 10.169 100 H GLN 15 HN GLN 15 6.139 0.875 3.932 101 HA GLN 15 HA GLN 15 4.241 0.011 5.966 102 1HB GLN 15 HB2 GLN 15 4.681 2.475 4.269 103 2HB GLN 15 HB1 GLN 15 3.089 2.236 4.975 104 1HG GLN 15 HG2 GLN 15 5.003 3.549 6.259 105 2HG GLN 15 HG1 GLN 15 3.813 2.558 7.109 106 1HE2 GLN 15 HE21 GLN 15 4.614 0.873 8.364 107 2HE2 GLN 15 HE22 GLN 15 6.274 0.432 8.410 108 H LEU 16 HN LEU 16 4.411 0.243 2.496 109 HA LEU 16 HA LEU 16 1.633 -0.348 2.031 110 1HB LEU 16 HB2 LEU 16 3.395 0.707 0.425 111 2HB LEU 16 HB1 LEU 16 3.944 -0.948 0.148 112 HG LEU 16 HG LEU 16 1.527 -1.498 -0.425 113 1HD1 LEU 16 HD11 LEU 16 0.090 0.341 -1.092 114 2HD1 LEU 16 HD12 LEU 16 1.318 1.501 -0.584 115 3HD1 LEU 16 HD13 LEU 16 0.501 0.494 0.607 116 1HD2 LEU 16 HD21 LEU 16 1.710 -0.457 -2.719 117 2HD2 LEU 16 HD22 LEU 16 3.148 -1.328 -2.188 118 3HD2 LEU 16 HD23 LEU 16 3.106 0.433 -2.112 119 H GLU 17 HN GLU 17 4.514 -2.226 2.689 120 HA GLU 17 HA GLU 17 3.772 -4.732 1.667 121 1HB GLU 17 HB2 GLU 17 5.972 -4.234 2.724 122 2HB GLU 17 HB1 GLU 17 5.184 -4.145 4.290 123 1HG GLU 17 HG2 GLU 17 5.796 -6.316 4.423 124 2HG GLU 17 HG1 GLU 17 4.285 -6.595 3.575 125 H ASN 18 HN ASN 18 2.679 -3.054 4.562 126 HA ASN 18 HA ASN 18 1.254 -5.360 5.619 127 1HB ASN 18 HB2 ASN 18 1.989 -2.774 6.561 128 2HB ASN 18 HB1 ASN 18 0.225 -2.815 6.606 129 1HD2 ASN 18 HD21 ASN 18 -0.782 -4.591 7.850 130 2HD2 ASN 18 HD22 ASN 18 0.128 -5.332 9.118 131 H TYR 19 HN TYR 19 0.648 -3.773 2.842 132 HA TYR 19 HA TYR 19 -2.276 -3.546 3.237 133 1HB TYR 19 HB2 TYR 19 -0.330 -2.548 1.205 134 2HB TYR 19 HB1 TYR 19 -2.002 -2.751 0.710 135 HD1 TYR 19 HD1 TYR 19 -0.076 -1.471 3.695 136 HD2 TYR 19 HD2 TYR 19 -3.286 -0.826 0.907 137 HE1 TYR 19 HE1 TYR 19 -0.604 0.675 4.803 138 HE2 TYR 19 HE2 TYR 19 -3.776 1.304 2.017 139 HH TYR 19 HH TYR 19 -1.939 3.023 3.770 140 H CYS 20 HN CYS 20 0.103 -5.727 2.057 141 HA CYS 20 HA CYS 20 -1.754 -7.054 0.212 142 1HB CYS 20 HB2 CYS 20 0.037 -8.493 -0.336 143 2HB CYS 20 HB1 CYS 20 0.725 -6.864 -0.219 144 H ASN 21 HN ASN 21 -3.009 -8.773 0.801 145 HA ASN 21 HA ASN 21 -3.574 -9.468 3.430 146 1HB ASN 21 HB2 ASN 21 -3.695 -11.552 1.230 147 2HB ASN 21 HB1 ASN 21 -4.777 -11.326 2.595 148 1HD2 ASN 21 HD21 ASN 21 -6.162 -11.436 0.359 149 2HD2 ASN 21 HD22 ASN 21 -6.604 -9.864 -0.206 150 1H PHE 1 HT1 PHE 1 10.523 6.020 -0.389 151 2H PHE 1 HT2 PHE 1 9.916 4.465 -0.676 152 3H PHE 1 HT3 PHE 1 9.506 5.767 -1.722 153 HA PHE 1 HA PHE 1 12.240 4.735 -1.226 154 1HB PHE 1 HB2 PHE 1 12.004 3.847 -3.644 155 2HB PHE 1 HB1 PHE 1 11.156 2.962 -2.376 156 HD1 PHE 1 HD1 PHE 1 10.797 4.369 -5.550 157 HD2 PHE 1 HD2 PHE 1 8.659 3.780 -1.884 158 HE1 PHE 1 HE1 PHE 1 8.651 4.724 -6.744 159 HE2 PHE 1 HE2 PHE 1 6.523 4.103 -3.065 160 HZ PHE 1 HZ PHE 1 6.509 4.567 -5.502 161 H VAL 2 HN VAL 2 10.087 6.770 -3.233 162 HA VAL 2 HA VAL 2 12.335 8.687 -3.469 163 HB VAL 2 HB VAL 2 12.724 8.379 -5.658 164 1HG1 VAL 2 HG11 VAL 2 11.863 6.420 -6.810 165 2HG1 VAL 2 HG12 VAL 2 10.583 6.300 -5.635 166 3HG1 VAL 2 HG13 VAL 2 12.244 5.983 -5.150 167 1HG2 VAL 2 HG21 VAL 2 10.799 8.433 -7.347 168 2HG2 VAL 2 HG22 VAL 2 11.029 9.869 -6.398 169 3HG2 VAL 2 HG23 VAL 2 9.726 8.742 -5.995 170 H ASN 3 HN ASN 3 11.346 10.691 -4.786 171 HA ASN 3 HA ASN 3 9.220 11.660 -3.099 172 1HB ASN 3 HB2 ASN 3 10.991 12.719 -5.196 173 2HB ASN 3 HB1 ASN 3 9.380 13.418 -5.293 174 1HD2 ASN 3 HD21 ASN 3 9.459 15.363 -4.256 175 2HD2 ASN 3 HD22 ASN 3 10.184 15.606 -2.707 176 H GLN 4 HN GLN 4 7.971 9.487 -4.054 177 HA GLN 4 HA GLN 4 6.055 10.622 -6.030 178 1HB GLN 4 HB2 GLN 4 7.609 8.093 -6.156 179 2HB GLN 4 HB1 GLN 4 5.891 7.927 -6.537 180 1HG GLN 4 HG2 GLN 4 5.988 9.278 -8.382 181 2HG GLN 4 HG1 GLN 4 7.384 10.200 -7.795 182 1HE2 GLN 4 HE21 GLN 4 7.016 6.635 -8.048 183 2HE2 GLN 4 HE22 GLN 4 8.358 6.466 -9.115 184 H ALA 5 HN ALA 5 3.941 10.319 -5.575 185 HA ALA 5 HA ALA 5 3.250 9.366 -2.912 186 1HB ALA 5 HB1 ALA 5 0.893 9.661 -4.499 187 2HB ALA 5 HB2 ALA 5 2.001 10.931 -4.976 188 3HB ALA 5 HB3 ALA 5 1.542 10.773 -3.298 189 H LEU 6 HN LEU 6 0.950 7.911 -3.131 190 HA LEU 6 HA LEU 6 1.623 5.651 -4.941 191 1HB LEU 6 HB2 LEU 6 1.848 5.664 -2.055 192 2HB LEU 6 HB1 LEU 6 0.550 4.571 -2.498 193 HG LEU 6 HG LEU 6 2.759 3.441 -2.411 194 1HD1 LEU 6 HD11 LEU 6 0.881 2.868 -4.037 195 2HD1 LEU 6 HD12 LEU 6 2.442 2.205 -4.388 196 3HD1 LEU 6 HD13 LEU 6 1.837 3.598 -5.284 197 1HD2 LEU 6 HD21 LEU 6 4.532 4.057 -3.763 198 2HD2 LEU 6 HD22 LEU 6 3.907 5.632 -3.305 199 3HD2 LEU 6 HD23 LEU 6 3.540 4.953 -4.896 200 H CYS 7 HN CYS 7 -0.106 6.601 -6.228 201 HA CYS 7 HA CYS 7 -2.800 5.819 -5.144 202 1HB CYS 7 HB2 CYS 7 -2.404 7.972 -7.235 203 2HB CYS 7 HB1 CYS 7 -3.784 7.698 -6.160 204 H GLY 8 HN GLY 8 -4.319 5.068 -6.800 205 1HA GLY 8 HA2 GLY 8 -4.889 3.814 -8.688 206 2HA GLY 8 HA1 GLY 8 -3.566 4.619 -9.528 207 H SER 9 HN SER 9 -3.240 2.488 -10.554 208 HA SER 9 HA SER 9 -2.639 0.112 -9.244 209 1HB SER 9 HB2 SER 9 -1.234 1.179 -11.721 210 2HB SER 9 HB1 SER 9 -1.355 -0.522 -11.246 211 HG SER 9 HG SER 9 -2.954 0.261 -12.820 212 H ASP 10 HN ASP 10 -0.784 3.043 -9.315 213 HA ASP 10 HA ASP 10 1.819 2.183 -8.939 214 1HB ASP 10 HB2 ASP 10 0.403 4.348 -7.337 215 2HB ASP 10 HB1 ASP 10 2.144 4.184 -7.526 216 H LEU 11 HN LEU 11 -0.906 2.044 -6.682 217 HA LEU 11 HA LEU 11 0.640 1.068 -4.424 218 1HB LEU 11 HB2 LEU 11 -2.291 0.928 -5.141 219 2HB LEU 11 HB1 LEU 11 -1.651 0.317 -3.613 220 HG LEU 11 HG LEU 11 -0.975 3.150 -4.377 221 1HD1 LEU 11 HD11 LEU 11 -3.661 2.253 -3.309 222 2HD1 LEU 11 HD12 LEU 11 -3.348 3.038 -4.860 223 3HD1 LEU 11 HD13 LEU 11 -3.076 3.916 -3.364 224 1HD2 LEU 11 HD21 LEU 11 -1.173 3.388 -1.927 225 2HD2 LEU 11 HD22 LEU 11 -0.039 2.117 -2.354 226 3HD2 LEU 11 HD23 LEU 11 -1.658 1.699 -1.796 227 H VAL 12 HN VAL 12 -1.826 -0.626 -6.270 228 HA VAL 12 HA VAL 12 -1.167 -3.209 -5.550 229 HB VAL 12 HB VAL 12 -2.281 -3.974 -7.503 230 1HG1 VAL 12 HG11 VAL 12 -3.569 -2.453 -5.856 231 2HG1 VAL 12 HG12 VAL 12 -4.285 -2.749 -7.435 232 3HG1 VAL 12 HG13 VAL 12 -3.476 -1.221 -7.119 233 1HG2 VAL 12 HG21 VAL 12 -2.695 -2.330 -9.414 234 2HG2 VAL 12 HG22 VAL 12 -1.063 -2.946 -9.280 235 3HG2 VAL 12 HG23 VAL 12 -1.464 -1.361 -8.686 236 H GLU 13 HN GLU 13 0.287 -1.295 -8.207 237 HA GLU 13 HA GLU 13 2.033 -3.323 -9.135 238 1HB GLU 13 HB2 GLU 13 1.937 -0.331 -9.287 239 2HB GLU 13 HB1 GLU 13 3.494 -1.069 -9.606 240 1HG GLU 13 HG2 GLU 13 1.183 -2.377 -10.953 241 2HG GLU 13 HG1 GLU 13 1.584 -0.740 -11.489 242 H ALA 14 HN ALA 14 2.381 -0.925 -6.528 243 HA ALA 14 HA ALA 14 5.097 -1.792 -5.880 244 1HB ALA 14 HB1 ALA 14 4.616 0.445 -5.302 245 2HB ALA 14 HB2 ALA 14 4.614 -0.398 -3.756 246 3HB ALA 14 HB3 ALA 14 3.087 0.021 -4.545 247 H LEU 15 HN LEU 15 1.847 -2.642 -4.966 248 HA LEU 15 HA LEU 15 2.616 -4.183 -2.628 249 1HB LEU 15 HB2 LEU 15 0.100 -3.775 -4.186 250 2HB LEU 15 HB1 LEU 15 0.192 -5.005 -2.942 251 HG LEU 15 HG LEU 15 1.154 -2.335 -2.205 252 1HD1 LEU 15 HD11 LEU 15 -0.946 -1.912 -3.455 253 2HD1 LEU 15 HD12 LEU 15 -1.063 -1.512 -1.754 254 3HD1 LEU 15 HD13 LEU 15 -1.766 -3.011 -2.360 255 1HD2 LEU 15 HD21 LEU 15 1.044 -4.538 -0.809 256 2HD2 LEU 15 HD22 LEU 15 -0.663 -4.123 -0.649 257 3HD2 LEU 15 HD23 LEU 15 0.577 -3.024 -0.103 258 H TYR 16 HN TYR 16 1.437 -4.812 -5.874 259 HA TYR 16 HA TYR 16 1.455 -7.576 -5.896 260 1HB TYR 16 HB2 TYR 16 1.761 -5.414 -7.936 261 2HB TYR 16 HB1 TYR 16 2.438 -6.958 -8.416 262 HD1 TYR 16 HD1 TYR 16 -0.226 -5.219 -9.097 263 HD2 TYR 16 HD2 TYR 16 0.722 -8.926 -7.163 264 HE1 TYR 16 HE1 TYR 16 -2.481 -6.087 -9.659 265 HE2 TYR 16 HE2 TYR 16 -1.524 -9.800 -7.696 266 HH TYR 16 HH TYR 16 -4.000 -8.350 -8.280 267 H LEU 17 HN LEU 17 4.097 -5.321 -5.888 268 HA LEU 17 HA LEU 17 5.993 -7.419 -6.660 269 1HB LEU 17 HB2 LEU 17 6.014 -4.481 -6.400 270 2HB LEU 17 HB1 LEU 17 7.478 -5.244 -5.775 271 HG LEU 17 HG LEU 17 7.704 -6.527 -7.910 272 1HD1 LEU 17 HD11 LEU 17 6.334 -5.829 -9.826 273 2HD1 LEU 17 HD12 LEU 17 5.406 -4.754 -8.794 274 3HD1 LEU 17 HD13 LEU 17 5.311 -6.496 -8.561 275 1HD2 LEU 17 HD21 LEU 17 7.511 -3.512 -8.212 276 2HD2 LEU 17 HD22 LEU 17 8.429 -4.603 -9.253 277 3HD2 LEU 17 HD23 LEU 17 8.897 -4.396 -7.567 278 H VAL 18 HN VAL 18 5.222 -5.545 -3.742 279 HA VAL 18 HA VAL 18 7.281 -6.806 -2.154 280 HB VAL 18 HB VAL 18 5.803 -6.001 -0.197 281 1HG1 VAL 18 HG11 VAL 18 6.441 -3.659 -0.582 282 2HG1 VAL 18 HG12 VAL 18 6.704 -4.011 -2.292 283 3HG1 VAL 18 HG13 VAL 18 7.739 -4.748 -1.067 284 1HG2 VAL 18 HG21 VAL 18 4.117 -4.296 -0.860 285 2HG2 VAL 18 HG22 VAL 18 3.661 -5.931 -1.289 286 3HG2 VAL 18 HG23 VAL 18 4.291 -4.852 -2.496 287 H CYS 19 HN CYS 19 3.775 -7.510 -2.549 288 HA CYS 19 HA CYS 19 4.309 -10.102 -1.159 289 1HB CYS 19 HB2 CYS 19 2.056 -8.252 -1.207 290 2HB CYS 19 HB1 CYS 19 1.540 -9.873 -1.524 291 H GLY 20 HN GLY 20 2.430 -8.790 -3.893 292 1HA GLY 20 HA2 GLY 20 1.936 -9.754 -5.958 293 2HA GLY 20 HA1 GLY 20 3.497 -10.550 -5.828 294 H GLU 21 HN GLU 21 0.218 -11.137 -6.078 295 HA GLU 21 HA GLU 21 -0.882 -13.190 -6.137 296 1HB GLU 21 HB2 GLU 21 1.575 -14.086 -6.485 297 2HB GLU 21 HB1 GLU 21 1.469 -14.545 -4.786 298 1HG GLU 21 HG2 GLU 21 0.638 -16.456 -5.660 299 2HG GLU 21 HG1 GLU 21 -0.884 -15.565 -5.567 300 H ARG 22 HN ARG 22 0.232 -11.553 -3.428 301 HA ARG 22 HA ARG 22 -1.092 -13.378 -1.499 302 1HB ARG 22 HB2 ARG 22 0.181 -10.764 -0.772 303 2HB ARG 22 HB1 ARG 22 0.005 -12.210 0.200 304 1HG ARG 22 HG2 ARG 22 1.718 -12.308 -2.293 305 2HG ARG 22 HG1 ARG 22 2.335 -11.684 -0.813 306 1HD ARG 22 HD2 ARG 22 1.321 -13.860 0.234 307 2HD ARG 22 HD1 ARG 22 1.496 -14.433 -1.426 308 HE ARG 22 HE ARG 22 3.599 -12.962 -0.454 309 1HH1 ARG 22 HH21 ARG 22 2.435 -14.282 1.799 310 2HH1 ARG 22 HH22 ARG 22 3.512 -15.571 2.193 311 1HH2 ARG 22 HH11 ARG 22 5.168 -15.529 -0.854 312 2HH2 ARG 22 HH12 ARG 22 5.069 -16.269 0.709 313 H GLY 23 HN GLY 23 -2.136 -11.130 -3.631 314 1HA GLY 23 HA2 GLY 23 -3.979 -9.723 -3.708 315 2HA GLY 23 HA1 GLY 23 -4.627 -10.708 -2.394 316 H PHE 24 HN PHE 24 -5.143 -7.975 -2.409 317 HA PHE 24 HA PHE 24 -3.692 -7.144 0.046 318 1HB PHE 24 HB2 PHE 24 -4.031 -4.815 -1.621 319 2HB PHE 24 HB1 PHE 24 -2.561 -5.460 -0.908 320 HD1 PHE 24 HD1 PHE 24 -4.757 -5.536 -3.865 321 HD2 PHE 24 HD2 PHE 24 -1.009 -6.793 -2.174 322 HE1 PHE 24 HE1 PHE 24 -3.964 -6.201 -6.119 323 HE2 PHE 24 HE2 PHE 24 -0.217 -7.457 -4.434 324 HZ PHE 24 HZ PHE 24 -1.707 -7.125 -6.369 325 H PHE 25 HN PHE 25 -4.736 -4.747 0.550 326 HA PHE 25 HA PHE 25 -7.664 -5.311 0.552 327 1HB PHE 25 HB2 PHE 25 -6.120 -4.837 2.716 328 2HB PHE 25 HB1 PHE 25 -6.484 -3.156 2.298 329 HD1 PHE 25 HD1 PHE 25 -7.446 -4.853 4.754 330 HD2 PHE 25 HD2 PHE 25 -9.253 -3.826 0.987 331 HE1 PHE 25 HE1 PHE 25 -9.711 -5.077 5.749 332 HE2 PHE 25 HE2 PHE 25 -11.475 -4.039 1.970 333 HZ PHE 25 HZ PHE 25 -11.725 -4.670 4.357 334 H TYR 26 HN TYR 26 -6.137 -4.128 -1.690 335 HA TYR 26 HA TYR 26 -6.740 -1.278 -1.680 336 1HB TYR 26 HB2 TYR 26 -4.818 -2.103 -2.945 337 2HB TYR 26 HB1 TYR 26 -5.859 -3.175 -3.892 338 HD1 TYR 26 HD1 TYR 26 -4.797 0.299 -3.340 339 HD2 TYR 26 HD2 TYR 26 -7.412 -2.294 -5.554 340 HE1 TYR 26 HE1 TYR 26 -5.259 2.129 -4.958 341 HE2 TYR 26 HE2 TYR 26 -7.860 -0.466 -7.169 342 HH TYR 26 HH TYR 26 -7.594 2.478 -6.772 343 H THR 27 HN THR 27 -8.755 -0.511 -2.085 344 HA THR 27 HA THR 27 -10.843 -2.315 -3.113 345 HB THR 27 HB THR 27 -12.385 -0.633 -2.480 346 HG1 THR 27 HG1 THR 27 -11.768 1.253 -3.312 347 1HG2 THR 27 HG21 THR 27 -10.888 -1.638 -0.611 348 2HG2 THR 27 HG22 THR 27 -11.845 -0.206 -0.241 349 3HG2 THR 27 HG23 THR 27 -10.128 -0.043 -0.578 350 H LYS 28 HN LYS 28 -12.371 -1.352 -4.823 351 HA LYS 28 HA LYS 28 -11.269 0.485 -6.751 352 1HB LYS 28 HB2 LYS 28 -9.829 -1.380 -7.316 353 2HB LYS 28 HB1 LYS 28 -11.218 -2.466 -7.435 354 1HG LYS 28 HG2 LYS 28 -12.080 -1.297 -9.349 355 2HG LYS 28 HG1 LYS 28 -10.879 -0.005 -9.163 356 1HD LYS 28 HD2 LYS 28 -9.094 -1.773 -9.514 357 2HD LYS 28 HD1 LYS 28 -10.400 -2.892 -9.943 358 1HE LYS 28 HE2 LYS 28 -10.045 -0.207 -11.305 359 2HE LYS 28 HE1 LYS 28 -9.269 -1.687 -11.882 360 1HZ LYS 28 HZ1 LYS 28 -12.196 -1.275 -11.545 361 2HZ LYS 28 HZ2 LYS 28 -11.471 -2.731 -12.019 362 3HZ LYS 28 HZ3 LYS 28 -11.355 -1.366 -13.007 363 HA PRO 29 HA PRO 29 -15.736 0.274 -7.320 364 1HB PRO 29 HB2 PRO 29 -15.904 2.453 -8.978 365 2HB PRO 29 HB1 PRO 29 -15.742 2.554 -7.226 366 1HG PRO 29 HG2 PRO 29 -13.675 3.062 -9.331 367 2HG PRO 29 HG1 PRO 29 -13.810 3.756 -7.706 368 1HD PRO 29 HD2 PRO 29 -12.059 1.670 -8.479 369 2HD PRO 29 HD1 PRO 29 -12.455 2.147 -6.817 370 H THR 30 HN THR 30 -17.235 0.015 -9.171 371 HA THR 30 HA THR 30 -16.036 -0.539 -11.809 372 HB THR 30 HB THR 30 -17.492 -2.776 -10.329 373 HG1 THR 30 HG1 THR 30 -14.678 -2.428 -10.743 374 1HG2 THR 30 HG21 THR 30 -16.534 -4.133 -12.169 375 2HG2 THR 30 HG22 THR 30 -15.886 -2.668 -12.902 376 3HG2 THR 30 HG23 THR 30 -17.632 -2.891 -12.765 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -3.274 0.371 -1.719 2 2H GLY 1 HT2 GLY 1 -2.224 -0.299 -0.634 3 3H GLY 1 HT3 GLY 1 -2.772 1.243 -0.387 4 1HA GLY 1 HA1 GLY 1 -4.640 -0.966 -0.454 5 2HA GLY 1 HA2 GLY 1 -3.752 -0.651 0.957 6 H ILE 2 HN ILE 2 -3.852 1.819 1.572 7 HA ILE 2 HA ILE 2 -6.638 2.668 1.134 8 HB ILE 2 HB ILE 2 -7.348 2.198 3.146 9 1HG1 ILE 2 HG12 ILE 2 -6.227 4.377 3.864 10 2HG1 ILE 2 HG11 ILE 2 -6.559 3.220 5.110 11 1HG2 ILE 2 HG21 ILE 2 -6.125 0.206 3.049 12 2HG2 ILE 2 HG22 ILE 2 -5.864 0.819 4.672 13 3HG2 ILE 2 HG23 ILE 2 -4.600 0.974 3.462 14 1HD1 ILE 2 HD11 ILE 2 -3.898 3.882 3.953 15 2HD1 ILE 2 HD12 ILE 2 -4.172 2.368 4.766 16 3HD1 ILE 2 HD13 ILE 2 -4.420 3.835 5.610 17 H VAL 3 HN VAL 3 -5.167 3.680 -0.276 18 HA VAL 3 HA VAL 3 -3.342 5.565 -0.247 19 HB VAL 3 HB VAL 3 -5.073 7.121 -1.557 20 1HG1 VAL 3 HG11 VAL 3 -4.711 4.354 -2.606 21 2HG1 VAL 3 HG12 VAL 3 -3.345 5.456 -2.444 22 3HG1 VAL 3 HG13 VAL 3 -4.699 5.871 -3.460 23 1HG2 VAL 3 HG21 VAL 3 -7.119 6.192 -0.648 24 2HG2 VAL 3 HG22 VAL 3 -6.677 4.575 -1.159 25 3HG2 VAL 3 HG23 VAL 3 -7.015 5.816 -2.346 26 H GLU 4 HN GLU 4 -6.565 6.228 1.073 27 HA GLU 4 HA GLU 4 -6.398 8.826 1.818 28 1HB GLU 4 HB2 GLU 4 -8.109 8.383 3.291 29 2HB GLU 4 HB1 GLU 4 -8.116 6.837 2.437 30 1HG GLU 4 HG2 GLU 4 -6.384 6.119 4.283 31 2HG GLU 4 HG1 GLU 4 -7.026 7.505 5.163 32 H GLN 5 HN GLN 5 -4.471 6.198 3.156 33 HA GLN 5 HA GLN 5 -3.285 8.105 5.101 34 1HB GLN 5 HB2 GLN 5 -4.179 5.711 5.694 35 2HB GLN 5 HB1 GLN 5 -2.621 5.175 5.077 36 1HG GLN 5 HG2 GLN 5 -1.454 6.597 6.641 37 2HG GLN 5 HG1 GLN 5 -2.990 7.280 7.203 38 1HE2 GLN 5 HE21 GLN 5 -4.554 5.658 8.176 39 2HE2 GLN 5 HE22 GLN 5 -3.869 4.330 9.044 40 H CYS 6 HN CYS 6 -2.182 5.443 2.978 41 HA CYS 6 HA CYS 6 0.517 6.408 2.908 42 1HB CYS 6 HB2 CYS 6 -1.105 4.411 1.343 43 2HB CYS 6 HB1 CYS 6 0.487 4.844 0.747 44 H CYS 7 HN CYS 7 -2.274 7.109 0.931 45 HA CYS 7 HA CYS 7 -0.893 8.294 -1.233 46 1HB CYS 7 HB2 CYS 7 -3.298 7.735 -1.309 47 2HB CYS 7 HB1 CYS 7 -3.668 9.063 -0.211 48 H THR 8 HN THR 8 -2.150 9.663 1.793 49 HA THR 8 HA THR 8 -1.433 12.378 1.206 50 HB THR 8 HB THR 8 -1.524 12.693 3.685 51 HG1 THR 8 HG1 THR 8 -1.603 10.946 5.007 52 1HG2 THR 8 HG21 THR 8 -3.831 11.952 3.985 53 2HG2 THR 8 HG22 THR 8 -3.690 10.865 2.609 54 3HG2 THR 8 HG23 THR 8 -3.609 12.609 2.366 55 H SER 9 HN SER 9 0.623 13.250 1.052 56 HA SER 9 HA SER 9 2.956 13.325 1.129 57 1HB SER 9 HB2 SER 9 3.802 13.139 3.251 58 2HB SER 9 HB1 SER 9 2.133 12.832 3.740 59 HG SER 9 HG SER 9 3.394 11.142 4.482 60 H ILE 10 HN ILE 10 4.856 11.294 1.707 61 HA ILE 10 HA ILE 10 3.939 9.215 -0.226 62 HB ILE 10 HB ILE 10 6.106 8.992 -0.946 63 1HG1 ILE 10 HG12 ILE 10 8.032 10.048 0.456 64 2HG1 ILE 10 HG11 ILE 10 6.881 9.956 1.794 65 1HG2 ILE 10 HG21 ILE 10 6.962 11.170 -1.424 66 2HG2 ILE 10 HG22 ILE 10 6.101 11.865 -0.053 67 3HG2 ILE 10 HG23 ILE 10 5.203 11.256 -1.447 68 1HD1 ILE 10 HD11 ILE 10 7.270 7.745 1.973 69 2HD1 ILE 10 HD12 ILE 10 8.489 7.923 0.735 70 3HD1 ILE 10 HD13 ILE 10 6.858 7.473 0.276 71 H CYS 11 HN CYS 11 3.867 7.091 0.343 72 HA CYS 11 HA CYS 11 4.153 6.499 3.215 73 1HB CYS 11 HB2 CYS 11 2.418 5.617 1.247 74 2HB CYS 11 HB1 CYS 11 3.496 4.229 1.413 75 H SER 12 HN SER 12 5.412 4.711 4.015 76 HA SER 12 HA SER 12 7.926 4.309 2.467 77 1HB SER 12 HB2 SER 12 7.762 3.042 5.107 78 2HB SER 12 HB1 SER 12 8.923 4.225 4.488 79 HG SER 12 HG SER 12 7.687 5.079 6.203 80 H LEU 13 HN LEU 13 8.372 2.333 1.539 81 HA LEU 13 HA LEU 13 6.413 0.410 1.053 82 1HB LEU 13 HB2 LEU 13 9.385 0.480 0.972 83 2HB LEU 13 HB1 LEU 13 8.711 -1.148 1.117 84 HG LEU 13 HG LEU 13 7.436 -0.949 -0.867 85 1HD1 LEU 13 HD11 LEU 13 7.963 2.015 -0.556 86 2HD1 LEU 13 HD12 LEU 13 6.416 1.181 -0.727 87 3HD1 LEU 13 HD13 LEU 13 7.486 1.327 -2.101 88 1HD2 LEU 13 HD21 LEU 13 9.822 -1.293 -1.301 89 2HD2 LEU 13 HD22 LEU 13 10.075 0.448 -1.267 90 3HD2 LEU 13 HD23 LEU 13 9.122 -0.275 -2.565 91 H TYR 14 HN TYR 14 8.308 0.782 3.904 92 HA TYR 14 HA TYR 14 7.694 -1.799 5.007 93 1HB TYR 14 HB2 TYR 14 8.059 0.278 7.052 94 2HB TYR 14 HB1 TYR 14 9.029 -1.156 6.713 95 HD1 TYR 14 HD1 TYR 14 9.054 2.347 6.734 96 HD2 TYR 14 HD2 TYR 14 10.476 -1.027 4.484 97 HE1 TYR 14 HE1 TYR 14 10.843 3.758 5.752 98 HE2 TYR 14 HE2 TYR 14 12.266 0.381 3.500 99 HH TYR 14 HH TYR 14 12.316 3.450 3.279 100 H GLN 15 HN GLN 15 6.123 1.349 4.996 101 HA GLN 15 HA GLN 15 4.083 0.537 6.922 102 1HB GLN 15 HB2 GLN 15 4.507 2.944 5.135 103 2HB GLN 15 HB1 GLN 15 2.965 2.719 5.971 104 1HG GLN 15 HG2 GLN 15 5.577 2.545 7.490 105 2HG GLN 15 HG1 GLN 15 4.813 4.103 7.144 106 1HE2 GLN 15 HE21 GLN 15 2.610 4.457 8.001 107 2HE2 GLN 15 HE22 GLN 15 2.092 3.546 9.374 108 H LEU 16 HN LEU 16 4.609 0.440 3.500 109 HA LEU 16 HA LEU 16 1.839 -0.032 2.839 110 1HB LEU 16 HB2 LEU 16 3.741 0.831 1.285 111 2HB LEU 16 HB1 LEU 16 4.232 -0.863 1.165 112 HG LEU 16 HG LEU 16 1.821 -1.387 0.509 113 1HD1 LEU 16 HD11 LEU 16 0.457 0.389 -0.257 114 2HD1 LEU 16 HD12 LEU 16 1.708 1.586 0.027 115 3HD1 LEU 16 HD13 LEU 16 0.927 0.805 1.375 116 1HD2 LEU 16 HD21 LEU 16 2.126 -0.542 -1.832 117 2HD2 LEU 16 HD22 LEU 16 3.548 -1.356 -1.182 118 3HD2 LEU 16 HD23 LEU 16 3.495 0.406 -1.254 119 H GLU 17 HN GLU 17 4.520 -1.982 3.947 120 HA GLU 17 HA GLU 17 3.607 -4.507 2.972 121 1HB GLU 17 HB2 GLU 17 5.123 -5.483 4.506 122 2HB GLU 17 HB1 GLU 17 5.831 -3.896 4.177 123 1HG GLU 17 HG2 GLU 17 4.421 -3.142 6.275 124 2HG GLU 17 HG1 GLU 17 4.380 -4.866 6.632 125 H ASN 18 HN ASN 18 2.600 -2.458 5.626 126 HA ASN 18 HA ASN 18 0.992 -4.508 6.917 127 1HB ASN 18 HB2 ASN 18 1.844 -1.805 7.494 128 2HB ASN 18 HB1 ASN 18 0.085 -1.868 7.628 129 1HD2 ASN 18 HD21 ASN 18 2.789 -4.100 8.471 130 2HD2 ASN 18 HD22 ASN 18 2.179 -4.408 10.058 131 H TYR 19 HN TYR 19 0.617 -3.073 3.984 132 HA TYR 19 HA TYR 19 -2.308 -2.695 4.173 133 1HB TYR 19 HB2 TYR 19 -0.186 -2.131 2.118 134 2HB TYR 19 HB1 TYR 19 -1.859 -2.307 1.576 135 HD1 TYR 19 HD1 TYR 19 -1.943 -1.005 4.881 136 HD2 TYR 19 HD2 TYR 19 -1.065 0.103 0.840 137 HE1 TYR 19 HE1 TYR 19 -2.340 1.353 5.440 138 HE2 TYR 19 HE2 TYR 19 -1.461 2.464 1.415 139 HH TYR 19 HH TYR 19 -1.616 3.626 4.563 140 H CYS 20 HN CYS 20 0.126 -4.853 2.929 141 HA CYS 20 HA CYS 20 -1.415 -6.451 1.241 142 1HB CYS 20 HB2 CYS 20 0.644 -7.568 3.156 143 2HB CYS 20 HB1 CYS 20 0.194 -8.170 1.563 144 H ASN 21 HN ASN 21 -3.249 -7.628 1.685 145 HA ASN 21 HA ASN 21 -5.013 -8.469 2.944 146 1HB ASN 21 HB2 ASN 21 -2.528 -10.036 3.316 147 2HB ASN 21 HB1 ASN 21 -3.725 -10.319 4.586 148 1HD2 ASN 21 HD21 ASN 21 -4.559 -12.315 3.942 149 2HD2 ASN 21 HD22 ASN 21 -5.298 -12.572 2.402 150 1H PHE 1 HT1 PHE 1 12.763 0.174 -3.047 151 2H PHE 1 HT2 PHE 1 11.087 0.442 -2.941 152 3H PHE 1 HT3 PHE 1 12.096 0.847 -1.629 153 HA PHE 1 HA PHE 1 13.157 2.544 -2.867 154 1HB PHE 1 HB2 PHE 1 12.040 3.095 -5.155 155 2HB PHE 1 HB1 PHE 1 13.144 1.716 -5.091 156 HD1 PHE 1 HD1 PHE 1 9.571 2.706 -5.127 157 HD2 PHE 1 HD2 PHE 1 12.379 -0.542 -5.377 158 HE1 PHE 1 HE1 PHE 1 7.756 1.193 -5.886 159 HE2 PHE 1 HE2 PHE 1 10.563 -2.052 -6.137 160 HZ PHE 1 HZ PHE 1 8.252 -1.185 -6.391 161 H VAL 2 HN VAL 2 12.239 4.683 -2.815 162 HA VAL 2 HA VAL 2 9.343 4.952 -2.675 163 HB VAL 2 HB VAL 2 10.337 4.165 -0.349 164 1HG1 VAL 2 HG11 VAL 2 11.393 5.653 0.947 165 2HG1 VAL 2 HG12 VAL 2 10.510 7.042 0.375 166 3HG1 VAL 2 HG13 VAL 2 11.894 6.420 -0.540 167 1HG2 VAL 2 HG21 VAL 2 8.564 5.677 0.691 168 2HG2 VAL 2 HG22 VAL 2 8.080 4.562 -0.572 169 3HG2 VAL 2 HG23 VAL 2 8.259 6.263 -0.943 170 H ASN 3 HN ASN 3 9.541 7.405 -1.109 171 HA ASN 3 HA ASN 3 10.087 9.594 -1.266 172 1HB ASN 3 HB2 ASN 3 12.352 8.540 -2.412 173 2HB ASN 3 HB1 ASN 3 11.643 9.333 -3.828 174 1HD2 ASN 3 HD21 ASN 3 12.971 11.160 -3.952 175 2HD2 ASN 3 HD22 ASN 3 13.149 12.288 -2.656 176 H GLN 4 HN GLN 4 7.977 8.033 -2.377 177 HA GLN 4 HA GLN 4 6.990 9.994 -4.319 178 1HB GLN 4 HB2 GLN 4 7.837 7.244 -5.016 179 2HB GLN 4 HB1 GLN 4 6.178 7.599 -5.506 180 1HG GLN 4 HG2 GLN 4 6.777 9.137 -7.042 181 2HG GLN 4 HG1 GLN 4 8.153 9.738 -6.108 182 1HE2 GLN 4 HE21 GLN 4 7.355 6.442 -7.330 183 2HE2 GLN 4 HE22 GLN 4 8.863 6.267 -8.148 184 H ALA 5 HN ALA 5 4.779 10.205 -4.216 185 HA ALA 5 HA ALA 5 3.468 9.337 -1.871 186 1HB ALA 5 HB1 ALA 5 2.226 10.199 -4.480 187 2HB ALA 5 HB2 ALA 5 2.729 11.270 -3.173 188 3HB ALA 5 HB3 ALA 5 1.402 10.137 -2.919 189 H LEU 6 HN LEU 6 1.429 7.937 -1.841 190 HA LEU 6 HA LEU 6 1.735 5.598 -3.692 191 1HB LEU 6 HB2 LEU 6 1.855 5.763 -0.757 192 2HB LEU 6 HB1 LEU 6 0.638 4.627 -1.291 193 HG LEU 6 HG LEU 6 3.017 3.703 -0.958 194 1HD1 LEU 6 HD11 LEU 6 1.829 2.143 -2.055 195 2HD1 LEU 6 HD12 LEU 6 2.751 2.641 -3.458 196 3HD1 LEU 6 HD13 LEU 6 1.133 3.283 -3.202 197 1HD2 LEU 6 HD21 LEU 6 4.641 4.134 -2.569 198 2HD2 LEU 6 HD22 LEU 6 3.997 5.726 -2.242 199 3HD2 LEU 6 HD23 LEU 6 3.520 4.856 -3.708 200 H CYS 7 HN CYS 7 0.073 6.904 -4.895 201 HA CYS 7 HA CYS 7 -2.614 6.361 -3.742 202 1HB CYS 7 HB2 CYS 7 -2.041 8.468 -5.804 203 2HB CYS 7 HB1 CYS 7 -3.457 8.316 -4.748 204 H GLY 8 HN GLY 8 -4.276 5.667 -5.273 205 1HA GLY 8 HA2 GLY 8 -5.052 4.473 -7.114 206 2HA GLY 8 HA1 GLY 8 -3.719 5.171 -8.032 207 H SER 9 HN SER 9 -3.549 3.050 -9.063 208 HA SER 9 HA SER 9 -3.093 0.637 -7.776 209 1HB SER 9 HB2 SER 9 -2.799 1.641 -10.432 210 2HB SER 9 HB1 SER 9 -1.352 0.705 -10.058 211 HG SER 9 HG SER 9 -2.907 -0.692 -10.824 212 H ASP 10 HN ASP 10 -0.965 3.389 -7.942 213 HA ASP 10 HA ASP 10 1.548 2.261 -7.755 214 1HB ASP 10 HB2 ASP 10 0.297 4.726 -6.747 215 2HB ASP 10 HB1 ASP 10 1.637 4.212 -5.739 216 H LEU 11 HN LEU 11 -0.969 2.302 -5.270 217 HA LEU 11 HA LEU 11 0.678 1.166 -3.196 218 1HB LEU 11 HB2 LEU 11 -2.297 1.057 -3.695 219 2HB LEU 11 HB1 LEU 11 -1.514 0.411 -2.282 220 HG LEU 11 HG LEU 11 -0.961 3.268 -2.960 221 1HD1 LEU 11 HD11 LEU 11 -3.562 2.212 -1.855 222 2HD1 LEU 11 HD12 LEU 11 -3.292 3.278 -3.201 223 3HD1 LEU 11 HD13 LEU 11 -2.980 3.815 -1.548 224 1HD2 LEU 11 HD21 LEU 11 0.181 2.604 -1.055 225 2HD2 LEU 11 HD22 LEU 11 -1.046 1.526 -0.536 226 3HD2 LEU 11 HD23 LEU 11 -1.268 3.235 -0.356 227 H VAL 12 HN VAL 12 -1.995 -0.450 -4.800 228 HA VAL 12 HA VAL 12 -1.242 -3.050 -4.311 229 HB VAL 12 HB VAL 12 -2.393 -3.617 -6.493 230 1HG1 VAL 12 HG11 VAL 12 -3.605 -3.325 -4.331 231 2HG1 VAL 12 HG12 VAL 12 -4.575 -2.875 -5.727 232 3HG1 VAL 12 HG13 VAL 12 -3.840 -1.625 -4.722 233 1HG2 VAL 12 HG21 VAL 12 -2.577 -0.618 -6.627 234 2HG2 VAL 12 HG22 VAL 12 -3.504 -1.712 -7.624 235 3HG2 VAL 12 HG23 VAL 12 -1.765 -1.657 -7.785 236 H GLU 13 HN GLU 13 -0.045 -0.953 -6.948 237 HA GLU 13 HA GLU 13 1.563 -2.944 -8.191 238 1HB GLU 13 HB2 GLU 13 1.305 -0.015 -8.315 239 2HB GLU 13 HB1 GLU 13 2.977 -0.508 -8.466 240 1HG GLU 13 HG2 GLU 13 1.065 -2.137 -10.058 241 2HG GLU 13 HG1 GLU 13 1.200 -0.437 -10.519 242 H ALA 14 HN ALA 14 2.300 -0.602 -5.589 243 HA ALA 14 HA ALA 14 5.009 -1.604 -5.218 244 1HB ALA 14 HB1 ALA 14 4.653 0.590 -4.430 245 2HB ALA 14 HB2 ALA 14 4.758 -0.364 -2.958 246 3HB ALA 14 HB3 ALA 14 3.181 0.151 -3.580 247 H LEU 15 HN LEU 15 1.840 -2.283 -3.863 248 HA LEU 15 HA LEU 15 2.721 -4.002 -1.769 249 1HB LEU 15 HB2 LEU 15 0.143 -3.631 -3.203 250 2HB LEU 15 HB1 LEU 15 0.320 -4.832 -1.979 251 HG LEU 15 HG LEU 15 1.324 -2.252 -1.146 252 1HD1 LEU 15 HD11 LEU 15 -1.488 -2.098 -0.778 253 2HD1 LEU 15 HD12 LEU 15 -1.178 -2.277 -2.481 254 3HD1 LEU 15 HD13 LEU 15 -0.422 -0.978 -1.593 255 1HD2 LEU 15 HD21 LEU 15 -0.298 -2.965 0.744 256 2HD2 LEU 15 HD22 LEU 15 1.211 -3.747 0.565 257 3HD2 LEU 15 HD23 LEU 15 -0.265 -4.512 -0.024 258 H TYR 16 HN TYR 16 1.329 -4.573 -4.941 259 HA TYR 16 HA TYR 16 1.380 -7.306 -5.209 260 1HB TYR 16 HB2 TYR 16 1.838 -5.000 -7.065 261 2HB TYR 16 HB1 TYR 16 2.419 -6.552 -7.640 262 HD1 TYR 16 HD1 TYR 16 -0.382 -4.487 -7.462 263 HD2 TYR 16 HD2 TYR 16 0.812 -8.591 -7.354 264 HE1 TYR 16 HE1 TYR 16 -2.668 -5.123 -8.092 265 HE2 TYR 16 HE2 TYR 16 -1.488 -9.264 -8.022 266 HH TYR 16 HH TYR 16 -4.059 -7.691 -7.692 267 H LEU 17 HN LEU 17 4.059 -5.069 -5.101 268 HA LEU 17 HA LEU 17 5.923 -7.174 -5.918 269 1HB LEU 17 HB2 LEU 17 5.915 -4.253 -5.749 270 2HB LEU 17 HB1 LEU 17 7.370 -4.938 -5.020 271 HG LEU 17 HG LEU 17 7.680 -6.356 -7.082 272 1HD1 LEU 17 HD11 LEU 17 6.418 -5.652 -9.099 273 2HD1 LEU 17 HD12 LEU 17 5.421 -4.597 -8.097 274 3HD1 LEU 17 HD13 LEU 17 5.358 -6.346 -7.877 275 1HD2 LEU 17 HD21 LEU 17 7.567 -3.354 -7.510 276 2HD2 LEU 17 HD22 LEU 17 8.511 -4.505 -8.459 277 3HD2 LEU 17 HD23 LEU 17 8.899 -4.238 -6.761 278 H VAL 18 HN VAL 18 4.844 -5.703 -2.940 279 HA VAL 18 HA VAL 18 7.043 -7.025 -1.436 280 HB VAL 18 HB VAL 18 5.880 -5.905 0.555 281 1HG1 VAL 18 HG11 VAL 18 6.839 -4.149 -1.729 282 2HG1 VAL 18 HG12 VAL 18 7.871 -4.965 -0.552 283 3HG1 VAL 18 HG13 VAL 18 6.774 -3.692 -0.024 284 1HG2 VAL 18 HG21 VAL 18 4.036 -4.644 0.271 285 2HG2 VAL 18 HG22 VAL 18 3.798 -5.576 -1.153 286 3HG2 VAL 18 HG23 VAL 18 4.551 -4.029 -1.278 287 H CYS 19 HN CYS 19 3.577 -7.303 -2.025 288 HA CYS 19 HA CYS 19 3.491 -9.628 -0.157 289 1HB CYS 19 HB2 CYS 19 0.850 -8.922 -1.144 290 2HB CYS 19 HB1 CYS 19 1.517 -8.895 0.468 291 H GLY 20 HN GLY 20 1.526 -8.858 -3.024 292 1HA GLY 20 HA2 GLY 20 1.177 -10.055 -4.981 293 2HA GLY 20 HA1 GLY 20 2.701 -10.892 -4.691 294 H GLU 21 HN GLU 21 2.632 -12.700 -3.093 295 HA GLU 21 HA GLU 21 0.296 -14.366 -3.596 296 1HB GLU 21 HB2 GLU 21 2.989 -14.761 -2.780 297 2HB GLU 21 HB1 GLU 21 2.014 -15.369 -1.450 298 1HG GLU 21 HG2 GLU 21 1.159 -17.091 -2.629 299 2HG GLU 21 HG1 GLU 21 1.059 -16.184 -4.145 300 H ARG 22 HN ARG 22 0.689 -11.841 -1.483 301 HA ARG 22 HA ARG 22 -0.909 -13.140 0.667 302 1HB ARG 22 HB2 ARG 22 0.376 -10.416 0.742 303 2HB ARG 22 HB1 ARG 22 -0.200 -11.381 2.088 304 1HG ARG 22 HG2 ARG 22 1.700 -12.990 0.678 305 2HG ARG 22 HG1 ARG 22 2.385 -11.368 0.842 306 1HD ARG 22 HD2 ARG 22 1.514 -11.594 3.335 307 2HD ARG 22 HD1 ARG 22 1.558 -13.326 2.956 308 HE ARG 22 HE ARG 22 3.769 -11.761 2.187 309 1HH1 ARG 22 HH21 ARG 22 3.068 -10.533 4.525 310 2HH1 ARG 22 HH22 ARG 22 4.029 -11.215 5.795 311 1HH2 ARG 22 HH11 ARG 22 4.894 -14.051 3.987 312 2HH2 ARG 22 HH12 ARG 22 5.063 -13.206 5.490 313 H GLY 23 HN GLY 23 -0.948 -10.553 -1.740 314 1HA GLY 23 HA2 GLY 23 -2.967 -9.700 -2.691 315 2HA GLY 23 HA1 GLY 23 -3.877 -10.245 -1.282 316 H PHE 24 HN PHE 24 -4.756 -8.010 -1.135 317 HA PHE 24 HA PHE 24 -2.894 -6.281 0.392 318 1HB PHE 24 HB2 PHE 24 -4.609 -4.858 -1.565 319 2HB PHE 24 HB1 PHE 24 -3.016 -4.439 -0.921 320 HD1 PHE 24 HD1 PHE 24 -4.751 -5.667 -3.742 321 HD2 PHE 24 HD2 PHE 24 -1.057 -6.045 -1.589 322 HE1 PHE 24 HE1 PHE 24 -3.650 -6.550 -5.785 323 HE2 PHE 24 HE2 PHE 24 0.045 -6.927 -3.627 324 HZ PHE 24 HZ PHE 24 -1.277 -7.195 -5.662 325 H PHE 25 HN PHE 25 -4.026 -4.476 1.468 326 HA PHE 25 HA PHE 25 -6.734 -5.368 2.377 327 1HB PHE 25 HB2 PHE 25 -4.896 -5.112 4.086 328 2HB PHE 25 HB1 PHE 25 -4.809 -3.390 3.684 329 HD1 PHE 25 HD1 PHE 25 -7.320 -6.030 4.616 330 HD2 PHE 25 HD2 PHE 25 -6.112 -1.917 4.921 331 HE1 PHE 25 HE1 PHE 25 -9.188 -5.598 6.196 332 HE2 PHE 25 HE2 PHE 25 -7.978 -1.484 6.497 333 HZ PHE 25 HZ PHE 25 -9.516 -3.323 7.137 334 H TYR 26 HN TYR 26 -6.078 -3.860 -0.132 335 HA TYR 26 HA TYR 26 -6.881 -1.142 0.365 336 1HB TYR 26 HB2 TYR 26 -5.444 -2.167 -1.623 337 2HB TYR 26 HB1 TYR 26 -7.022 -2.431 -2.355 338 HD1 TYR 26 HD1 TYR 26 -4.552 -0.399 -2.894 339 HD2 TYR 26 HD2 TYR 26 -8.537 -0.055 -1.398 340 HE1 TYR 26 HE1 TYR 26 -4.670 1.947 -3.665 341 HE2 TYR 26 HE2 TYR 26 -8.662 2.269 -2.129 342 HH TYR 26 HH TYR 26 -7.106 3.627 -4.229 343 H THR 27 HN THR 27 -8.955 -0.557 0.728 344 HA THR 27 HA THR 27 -11.119 -2.482 0.101 345 HB THR 27 HB THR 27 -12.313 -1.456 1.746 346 HG1 THR 27 HG1 THR 27 -12.718 0.694 1.710 347 1HG2 THR 27 HG21 THR 27 -10.999 -0.531 3.466 348 2HG2 THR 27 HG22 THR 27 -9.818 0.129 2.349 349 3HG2 THR 27 HG23 THR 27 -9.900 -1.618 2.626 350 H LYS 28 HN LYS 28 -13.259 -1.011 -0.515 351 HA LYS 28 HA LYS 28 -13.234 1.115 -2.208 352 1HB LYS 28 HB2 LYS 28 -11.596 0.254 -3.696 353 2HB LYS 28 HB1 LYS 28 -12.337 -1.337 -3.753 354 1HG LYS 28 HG2 LYS 28 -14.359 -0.210 -4.816 355 2HG LYS 28 HG1 LYS 28 -13.376 1.252 -4.903 356 1HD LYS 28 HD2 LYS 28 -12.139 0.479 -6.620 357 2HD LYS 28 HD1 LYS 28 -12.038 -1.161 -5.962 358 1HE LYS 28 HE2 LYS 28 -14.730 -0.939 -6.639 359 2HE LYS 28 HE1 LYS 28 -13.908 -0.029 -7.912 360 1HZ LYS 28 HZ1 LYS 28 -14.107 -2.374 -8.458 361 2HZ LYS 28 HZ2 LYS 28 -13.233 -2.802 -7.076 362 3HZ LYS 28 HZ3 LYS 28 -12.481 -1.929 -8.320 363 HA PRO 29 HA PRO 29 -16.979 -1.667 -3.316 364 1HB PRO 29 HB2 PRO 29 -16.995 -4.228 -2.341 365 2HB PRO 29 HB1 PRO 29 -16.322 -3.783 -3.907 366 1HG PRO 29 HG2 PRO 29 -14.883 -4.500 -1.387 367 2HG PRO 29 HG1 PRO 29 -14.351 -4.679 -3.068 368 1HD PRO 29 HD2 PRO 29 -13.581 -2.666 -1.264 369 2HD PRO 29 HD1 PRO 29 -13.270 -2.684 -2.997 370 H THR 30 HN THR 30 -18.912 -2.240 -2.015 371 HA THR 30 HA THR 30 -18.699 -1.100 0.694 372 HB THR 30 HB THR 30 -20.624 -0.489 -0.705 373 HG1 THR 30 HG1 THR 30 -22.092 -0.759 0.899 374 1HG2 THR 30 HG21 THR 30 -22.165 -2.872 -0.627 375 2HG2 THR 30 HG22 THR 30 -20.621 -3.305 -1.345 376 3HG2 THR 30 HG23 THR 30 -21.577 -2.001 -2.031 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -7.515 5.965 5.768 2 2H GLY 1 HT2 GLY 1 -7.885 4.400 6.293 3 3H GLY 1 HT3 GLY 1 -9.131 5.493 5.957 4 1HA GLY 1 HA1 GLY 1 -9.116 4.107 4.093 5 2HA GLY 1 HA2 GLY 1 -8.312 5.565 3.591 6 H ILE 2 HN ILE 2 -8.060 3.466 2.007 7 HA ILE 2 HA ILE 2 -5.461 2.171 2.689 8 HB ILE 2 HB ILE 2 -7.483 1.771 0.464 9 1HG1 ILE 2 HG12 ILE 2 -8.205 0.803 2.564 10 2HG1 ILE 2 HG11 ILE 2 -7.609 -0.532 1.565 11 1HG2 ILE 2 HG21 ILE 2 -5.944 -0.284 0.019 12 2HG2 ILE 2 HG22 ILE 2 -4.709 0.656 0.855 13 3HG2 ILE 2 HG23 ILE 2 -5.466 1.286 -0.607 14 1HD1 ILE 2 HD11 ILE 2 -5.309 -0.016 2.779 15 2HD1 ILE 2 HD12 ILE 2 -6.560 -0.954 3.572 16 3HD1 ILE 2 HD13 ILE 2 -6.367 0.744 3.969 17 H VAL 3 HN VAL 3 -6.915 3.938 -0.021 18 HA VAL 3 HA VAL 3 -4.291 4.409 -1.230 19 HB VAL 3 HB VAL 3 -7.010 5.615 -1.861 20 1HG1 VAL 3 HG11 VAL 3 -5.884 6.028 -4.094 21 2HG1 VAL 3 HG12 VAL 3 -4.352 5.611 -3.331 22 3HG1 VAL 3 HG13 VAL 3 -5.267 7.013 -2.776 23 1HG2 VAL 3 HG21 VAL 3 -6.516 3.885 -3.871 24 2HG2 VAL 3 HG22 VAL 3 -7.358 3.425 -2.399 25 3HG2 VAL 3 HG23 VAL 3 -5.655 3.056 -2.576 26 H GLU 4 HN GLU 4 -6.770 6.546 0.183 27 HA GLU 4 HA GLU 4 -5.381 8.964 0.074 28 1HB GLU 4 HB2 GLU 4 -7.035 8.062 2.461 29 2HB GLU 4 HB1 GLU 4 -6.732 9.724 1.930 30 1HG GLU 4 HG2 GLU 4 -7.795 8.805 -0.349 31 2HG GLU 4 HG1 GLU 4 -8.527 7.633 0.762 32 H GLN 5 HN GLN 5 -4.669 6.186 2.045 33 HA GLN 5 HA GLN 5 -3.013 7.680 3.929 34 1HB GLN 5 HB2 GLN 5 -3.852 4.838 3.512 35 2HB GLN 5 HB1 GLN 5 -2.287 5.085 4.300 36 1HG GLN 5 HG2 GLN 5 -3.619 6.843 5.756 37 2HG GLN 5 HG1 GLN 5 -5.015 5.892 5.222 38 1HE2 GLN 5 HE21 GLN 5 -2.031 5.776 7.101 39 2HE2 GLN 5 HE22 GLN 5 -2.402 4.275 7.872 40 H CYS 6 HN CYS 6 -2.306 5.266 1.347 41 HA CYS 6 HA CYS 6 0.530 6.090 1.496 42 1HB CYS 6 HB2 CYS 6 -0.971 3.839 0.155 43 2HB CYS 6 HB1 CYS 6 0.658 4.240 -0.374 44 H CYS 7 HN CYS 7 -2.167 7.183 -0.132 45 HA CYS 7 HA CYS 7 -0.605 7.980 -2.540 46 1HB CYS 7 HB2 CYS 7 -2.800 7.143 -3.096 47 2HB CYS 7 HB1 CYS 7 -3.550 8.155 -1.871 48 H THR 8 HN THR 8 -1.736 9.158 0.511 49 HA THR 8 HA THR 8 -1.927 11.936 -0.085 50 HB THR 8 HB THR 8 -2.673 10.898 2.069 51 HG1 THR 8 HG1 THR 8 -2.430 13.059 2.224 52 1HG2 THR 8 HG21 THR 8 -0.085 10.982 3.385 53 2HG2 THR 8 HG22 THR 8 -0.104 9.763 2.110 54 3HG2 THR 8 HG23 THR 8 -1.308 9.733 3.388 55 H SER 9 HN SER 9 0.382 12.343 2.159 56 HA SER 9 HA SER 9 2.278 13.525 0.600 57 1HB SER 9 HB2 SER 9 3.862 13.185 2.453 58 2HB SER 9 HB1 SER 9 2.253 13.537 3.097 59 HG SER 9 HG SER 9 2.032 11.478 3.729 60 H ILE 10 HN ILE 10 3.805 10.751 2.091 61 HA ILE 10 HA ILE 10 4.144 9.439 -0.559 62 HB ILE 10 HB ILE 10 6.569 9.778 1.201 63 1HG1 ILE 10 HG12 ILE 10 5.577 12.093 0.974 64 2HG1 ILE 10 HG11 ILE 10 7.110 11.901 0.132 65 1HG2 ILE 10 HG21 ILE 10 6.033 8.611 -1.204 66 2HG2 ILE 10 HG22 ILE 10 7.611 9.027 -0.589 67 3HG2 ILE 10 HG23 ILE 10 6.826 10.099 -1.716 68 1HD1 ILE 10 HD11 ILE 10 4.813 11.204 -1.568 69 2HD1 ILE 10 HD12 ILE 10 6.227 12.169 -1.878 70 3HD1 ILE 10 HD13 ILE 10 4.868 12.875 -1.034 71 H CYS 11 HN CYS 11 4.240 7.187 -0.380 72 HA CYS 11 HA CYS 11 4.228 6.155 2.430 73 1HB CYS 11 HB2 CYS 11 2.375 5.677 0.383 74 2HB CYS 11 HB1 CYS 11 3.354 4.210 0.393 75 H SER 12 HN SER 12 5.447 4.266 2.916 76 HA SER 12 HA SER 12 7.779 3.893 1.086 77 1HB SER 12 HB2 SER 12 7.474 3.036 3.980 78 2HB SER 12 HB1 SER 12 8.960 3.047 3.018 79 HG SER 12 HG SER 12 8.899 4.912 4.264 80 H LEU 13 HN LEU 13 8.104 1.930 0.123 81 HA LEU 13 HA LEU 13 6.067 0.066 -0.266 82 1HB LEU 13 HB2 LEU 13 9.074 -0.107 -0.356 83 2HB LEU 13 HB1 LEU 13 8.152 -1.609 -0.518 84 HG LEU 13 HG LEU 13 6.990 -0.847 -2.439 85 1HD1 LEU 13 HD11 LEU 13 8.135 1.891 -1.801 86 2HD1 LEU 13 HD12 LEU 13 6.430 1.429 -1.741 87 3HD1 LEU 13 HD13 LEU 13 7.269 1.489 -3.270 88 1HD2 LEU 13 HD21 LEU 13 9.333 -1.512 -2.856 89 2HD2 LEU 13 HD22 LEU 13 9.845 0.163 -2.635 90 3HD2 LEU 13 HD23 LEU 13 8.801 -0.272 -3.989 91 H TYR 14 HN TYR 14 8.253 0.286 2.456 92 HA TYR 14 HA TYR 14 7.589 -2.268 3.587 93 1HB TYR 14 HB2 TYR 14 9.561 -1.073 4.371 94 2HB TYR 14 HB1 TYR 14 8.574 0.311 4.872 95 HD1 TYR 14 HD1 TYR 14 8.485 -3.422 5.317 96 HD2 TYR 14 HD2 TYR 14 8.226 0.450 7.163 97 HE1 TYR 14 HE1 TYR 14 8.118 -4.500 7.523 98 HE2 TYR 14 HE2 TYR 14 7.861 -0.623 9.372 99 HH TYR 14 HH TYR 14 8.598 -3.312 10.281 100 H GLN 15 HN GLN 15 6.124 0.943 3.745 101 HA GLN 15 HA GLN 15 4.193 0.170 5.793 102 1HB GLN 15 HB2 GLN 15 4.335 2.558 3.914 103 2HB GLN 15 HB1 GLN 15 3.139 2.390 5.201 104 1HG GLN 15 HG2 GLN 15 5.982 2.005 6.035 105 2HG GLN 15 HG1 GLN 15 5.545 3.629 5.491 106 1HE2 GLN 15 HE21 GLN 15 5.876 4.245 7.809 107 2HE2 GLN 15 HE22 GLN 15 4.571 3.971 8.908 108 H LEU 16 HN LEU 16 4.470 0.161 2.331 109 HA LEU 16 HA LEU 16 1.649 -0.198 1.849 110 1HB LEU 16 HB2 LEU 16 3.406 0.704 0.193 111 2HB LEU 16 HB1 LEU 16 3.946 -0.969 0.006 112 HG LEU 16 HG LEU 16 1.570 -1.573 -0.599 113 1HD1 LEU 16 HD11 LEU 16 0.018 0.132 -1.165 114 2HD1 LEU 16 HD12 LEU 16 1.210 1.405 -0.884 115 3HD1 LEU 16 HD13 LEU 16 0.558 0.491 0.459 116 1HD2 LEU 16 HD21 LEU 16 1.695 -0.503 -2.888 117 2HD2 LEU 16 HD22 LEU 16 3.149 -1.356 -2.374 118 3HD2 LEU 16 HD23 LEU 16 3.084 0.404 -2.293 119 H GLU 17 HN GLU 17 4.276 -2.247 2.799 120 HA GLU 17 HA GLU 17 3.276 -4.719 1.762 121 1HB GLU 17 HB2 GLU 17 5.502 -3.942 3.259 122 2HB GLU 17 HB1 GLU 17 4.579 -4.912 4.412 123 1HG GLU 17 HG2 GLU 17 4.394 -6.667 2.541 124 2HG GLU 17 HG1 GLU 17 5.628 -5.715 1.695 125 H ASN 18 HN ASN 18 2.289 -2.687 4.400 126 HA ASN 18 HA ASN 18 0.781 -4.778 5.767 127 1HB ASN 18 HB2 ASN 18 1.265 -1.837 6.103 128 2HB ASN 18 HB1 ASN 18 -0.256 -2.455 6.756 129 1HD2 ASN 18 HD21 ASN 18 1.502 -1.546 8.612 130 2HD2 ASN 18 HD22 ASN 18 2.237 -2.877 9.432 131 H TYR 19 HN TYR 19 0.292 -3.623 2.799 132 HA TYR 19 HA TYR 19 -2.653 -3.292 3.110 133 1HB TYR 19 HB2 TYR 19 -0.669 -2.577 0.968 134 2HB TYR 19 HB1 TYR 19 -2.384 -2.656 0.588 135 HD1 TYR 19 HD1 TYR 19 -1.716 -1.669 4.007 136 HD2 TYR 19 HD2 TYR 19 -1.947 -0.174 -0.008 137 HE1 TYR 19 HE1 TYR 19 -1.954 0.574 4.898 138 HE2 TYR 19 HE2 TYR 19 -2.190 2.118 0.896 139 HH TYR 19 HH TYR 19 -2.082 3.435 2.774 140 H CYS 20 HN CYS 20 -0.203 -5.494 2.171 141 HA CYS 20 HA CYS 20 -1.873 -7.046 0.370 142 1HB CYS 20 HB2 CYS 20 0.496 -8.259 1.780 143 2HB CYS 20 HB1 CYS 20 -0.076 -8.452 0.124 144 H ASN 21 HN ASN 21 -3.095 -8.869 0.937 145 HA ASN 21 HA ASN 21 -3.589 -9.217 3.856 146 1HB ASN 21 HB2 ASN 21 -5.508 -10.702 2.970 147 2HB ASN 21 HB1 ASN 21 -5.607 -8.974 2.632 148 1HD2 ASN 21 HD21 ASN 21 -5.831 -11.974 1.159 149 2HD2 ASN 21 HD22 ASN 21 -5.558 -11.452 -0.465 150 1H PHE 1 HT1 PHE 1 13.444 5.288 -7.130 151 2H PHE 1 HT2 PHE 1 12.634 6.194 -8.358 152 3H PHE 1 HT3 PHE 1 13.019 4.553 -8.619 153 HA PHE 1 HA PHE 1 10.691 4.934 -8.144 154 1HB PHE 1 HB2 PHE 1 12.296 2.893 -7.309 155 2HB PHE 1 HB1 PHE 1 11.702 3.441 -5.735 156 HD1 PHE 1 HD1 PHE 1 10.229 3.087 -9.183 157 HD2 PHE 1 HD2 PHE 1 9.899 2.172 -4.994 158 HE1 PHE 1 HE1 PHE 1 8.092 1.902 -9.608 159 HE2 PHE 1 HE2 PHE 1 7.760 0.988 -5.426 160 HZ PHE 1 HZ PHE 1 6.859 0.852 -7.732 161 H VAL 2 HN VAL 2 12.504 7.084 -6.622 162 HA VAL 2 HA VAL 2 11.103 7.203 -4.080 163 HB VAL 2 HB VAL 2 13.497 8.074 -4.672 164 1HG1 VAL 2 HG11 VAL 2 12.332 10.778 -4.983 165 2HG1 VAL 2 HG12 VAL 2 12.179 9.742 -6.407 166 3HG1 VAL 2 HG13 VAL 2 13.743 10.038 -5.694 167 1HG2 VAL 2 HG21 VAL 2 12.709 10.118 -2.971 168 2HG2 VAL 2 HG22 VAL 2 13.144 8.481 -2.511 169 3HG2 VAL 2 HG23 VAL 2 11.453 8.900 -2.734 170 H ASN 3 HN ASN 3 10.797 10.162 -4.165 171 HA ASN 3 HA ASN 3 8.986 11.544 -4.366 172 1HB ASN 3 HB2 ASN 3 9.528 10.550 -7.182 173 2HB ASN 3 HB1 ASN 3 8.096 11.544 -6.888 174 1HD2 ASN 3 HD21 ASN 3 8.672 13.547 -7.694 175 2HD2 ASN 3 HD22 ASN 3 10.102 14.392 -7.219 176 H GLN 4 HN GLN 4 8.754 8.939 -3.470 177 HA GLN 4 HA GLN 4 6.874 7.300 -4.581 178 1HB GLN 4 HB2 GLN 4 8.039 7.763 -1.915 179 2HB GLN 4 HB1 GLN 4 6.468 6.934 -1.882 180 1HG GLN 4 HG2 GLN 4 7.236 5.175 -3.201 181 2HG GLN 4 HG1 GLN 4 8.663 6.071 -3.735 182 1HE2 GLN 4 HE21 GLN 4 7.722 6.240 -0.349 183 2HE2 GLN 4 HE22 GLN 4 9.043 5.293 0.195 184 H ALA 5 HN ALA 5 4.739 6.975 -4.386 185 HA ALA 5 HA ALA 5 2.863 8.535 -2.880 186 1HB ALA 5 HB1 ALA 5 3.134 9.227 -5.832 187 2HB ALA 5 HB2 ALA 5 3.394 10.325 -4.478 188 3HB ALA 5 HB3 ALA 5 1.778 9.705 -4.807 189 H LEU 6 HN LEU 6 1.146 7.071 -2.765 190 HA LEU 6 HA LEU 6 1.105 5.001 -4.930 191 1HB LEU 6 HB2 LEU 6 0.829 4.939 -2.000 192 2HB LEU 6 HB1 LEU 6 -0.102 3.808 -2.870 193 HG LEU 6 HG LEU 6 2.277 3.092 -2.152 194 1HD1 LEU 6 HD11 LEU 6 1.457 1.571 -3.589 195 2HD1 LEU 6 HD12 LEU 6 2.613 2.267 -4.707 196 3HD1 LEU 6 HD13 LEU 6 0.928 2.770 -4.754 197 1HD2 LEU 6 HD21 LEU 6 3.053 4.643 -4.618 198 2HD2 LEU 6 HD22 LEU 6 4.065 3.832 -3.479 199 3HD2 LEU 6 HD23 LEU 6 3.257 5.296 -2.995 200 H CYS 7 HN CYS 7 -0.275 6.480 -6.157 201 HA CYS 7 HA CYS 7 -3.128 6.236 -5.256 202 1HB CYS 7 HB2 CYS 7 -2.193 8.155 -7.399 203 2HB CYS 7 HB1 CYS 7 -3.611 8.255 -6.341 204 H GLY 8 HN GLY 8 -4.606 5.399 -6.819 205 1HA GLY 8 HA2 GLY 8 -5.269 4.209 -8.726 206 2HA GLY 8 HA1 GLY 8 -3.818 4.794 -9.540 207 H SER 9 HN SER 9 -3.310 2.767 -10.450 208 HA SER 9 HA SER 9 -3.196 0.320 -8.941 209 1HB SER 9 HB2 SER 9 -2.570 1.195 -11.660 210 2HB SER 9 HB1 SER 9 -1.387 0.031 -11.071 211 HG SER 9 HG SER 9 -3.344 -0.854 -12.067 212 H ASP 10 HN ASP 10 -1.046 3.037 -9.060 213 HA ASP 10 HA ASP 10 1.448 1.904 -8.748 214 1HB ASP 10 HB2 ASP 10 0.590 4.417 -8.478 215 2HB ASP 10 HB1 ASP 10 0.664 4.033 -6.758 216 H LEU 11 HN LEU 11 -1.264 1.805 -6.483 217 HA LEU 11 HA LEU 11 0.297 0.687 -4.297 218 1HB LEU 11 HB2 LEU 11 -2.654 0.688 -4.884 219 2HB LEU 11 HB1 LEU 11 -1.979 0.058 -3.400 220 HG LEU 11 HG LEU 11 -1.140 2.822 -4.084 221 1HD1 LEU 11 HD11 LEU 11 -3.303 3.696 -3.119 222 2HD1 LEU 11 HD12 LEU 11 -3.966 2.082 -3.335 223 3HD1 LEU 11 HD13 LEU 11 -3.435 3.009 -4.737 224 1HD2 LEU 11 HD21 LEU 11 -1.753 3.001 -1.586 225 2HD2 LEU 11 HD22 LEU 11 -0.409 1.980 -2.020 226 3HD2 LEU 11 HD23 LEU 11 -1.956 1.251 -1.622 227 H VAL 12 HN VAL 12 -1.939 -0.610 -6.663 228 HA VAL 12 HA VAL 12 -1.525 -3.343 -5.887 229 HB VAL 12 HB VAL 12 -2.798 -3.933 -7.751 230 1HG1 VAL 12 HG11 VAL 12 -3.886 -2.234 -6.167 231 2HG1 VAL 12 HG12 VAL 12 -4.625 -2.443 -7.748 232 3HG1 VAL 12 HG13 VAL 12 -3.624 -1.039 -7.437 233 1HG2 VAL 12 HG21 VAL 12 -3.021 -2.484 -9.756 234 2HG2 VAL 12 HG22 VAL 12 -1.393 -3.064 -9.543 235 3HG2 VAL 12 HG23 VAL 12 -1.816 -1.437 -9.104 236 H GLU 13 HN GLU 13 -0.064 -1.299 -8.414 237 HA GLU 13 HA GLU 13 1.660 -3.313 -9.466 238 1HB GLU 13 HB2 GLU 13 1.629 -0.285 -9.486 239 2HB GLU 13 HB1 GLU 13 3.012 -1.156 -10.162 240 1HG GLU 13 HG2 GLU 13 0.467 -2.285 -11.093 241 2HG GLU 13 HG1 GLU 13 0.624 -0.564 -11.465 242 H ALA 14 HN ALA 14 2.009 -0.908 -6.862 243 HA ALA 14 HA ALA 14 4.796 -1.664 -6.361 244 1HB ALA 14 HB1 ALA 14 4.057 0.600 -5.827 245 2HB ALA 14 HB2 ALA 14 4.565 -0.220 -4.353 246 3HB ALA 14 HB3 ALA 14 2.853 -0.031 -4.711 247 H LEU 15 HN LEU 15 1.617 -2.463 -5.145 248 HA LEU 15 HA LEU 15 2.509 -4.026 -2.912 249 1HB LEU 15 HB2 LEU 15 -0.057 -3.798 -4.426 250 2HB LEU 15 HB1 LEU 15 0.119 -4.997 -3.172 251 HG LEU 15 HG LEU 15 0.933 -2.256 -2.440 252 1HD1 LEU 15 HD11 LEU 15 -1.856 -2.606 -1.906 253 2HD1 LEU 15 HD12 LEU 15 -1.580 -2.665 -3.637 254 3HD1 LEU 15 HD13 LEU 15 -1.020 -1.293 -2.693 255 1HD2 LEU 15 HD21 LEU 15 -0.057 -2.962 -0.341 256 2HD2 LEU 15 HD22 LEU 15 1.147 -4.073 -0.872 257 3HD2 LEU 15 HD23 LEU 15 -0.565 -4.479 -1.054 258 H TYR 16 HN TYR 16 1.283 -4.721 -6.131 259 HA TYR 16 HA TYR 16 1.448 -7.456 -6.254 260 1HB TYR 16 HB2 TYR 16 1.721 -5.236 -8.206 261 2HB TYR 16 HB1 TYR 16 2.579 -6.679 -8.697 262 HD1 TYR 16 HD1 TYR 16 -0.154 -5.194 -9.572 263 HD2 TYR 16 HD2 TYR 16 0.947 -8.850 -7.599 264 HE1 TYR 16 HE1 TYR 16 -2.250 -6.251 -10.371 265 HE2 TYR 16 HE2 TYR 16 -1.150 -9.909 -8.379 266 HH TYR 16 HH TYR 16 -3.715 -8.553 -9.248 267 H LEU 17 HN LEU 17 4.030 -5.120 -6.222 268 HA LEU 17 HA LEU 17 6.011 -7.150 -6.939 269 1HB LEU 17 HB2 LEU 17 5.898 -4.217 -6.692 270 2HB LEU 17 HB1 LEU 17 7.378 -4.900 -6.017 271 HG LEU 17 HG LEU 17 7.665 -6.233 -8.151 272 1HD1 LEU 17 HD11 LEU 17 6.382 -5.507 -10.101 273 2HD1 LEU 17 HD12 LEU 17 5.461 -4.382 -9.113 274 3HD1 LEU 17 HD13 LEU 17 5.282 -6.118 -8.871 275 1HD2 LEU 17 HD21 LEU 17 7.555 -3.210 -8.414 276 2HD2 LEU 17 HD22 LEU 17 8.487 -4.309 -9.434 277 3HD2 LEU 17 HD23 LEU 17 8.893 -4.136 -7.728 278 H VAL 18 HN VAL 18 4.857 -5.601 -4.016 279 HA VAL 18 HA VAL 18 7.038 -6.806 -2.408 280 HB VAL 18 HB VAL 18 5.772 -5.691 -0.496 281 1HG1 VAL 18 HG11 VAL 18 6.492 -3.440 -1.158 282 2HG1 VAL 18 HG12 VAL 18 6.615 -3.960 -2.840 283 3HG1 VAL 18 HG13 VAL 18 7.694 -4.642 -1.622 284 1HG2 VAL 18 HG21 VAL 18 3.751 -4.834 -0.854 285 2HG2 VAL 18 HG22 VAL 18 3.767 -5.504 -2.433 286 3HG2 VAL 18 HG23 VAL 18 4.317 -3.883 -2.205 287 H CYS 19 HN CYS 19 3.621 -7.354 -3.100 288 HA CYS 19 HA CYS 19 3.613 -9.543 -1.071 289 1HB CYS 19 HB2 CYS 19 1.026 -9.043 -2.391 290 2HB CYS 19 HB1 CYS 19 1.488 -9.087 -0.709 291 H GLY 20 HN GLY 20 1.884 -9.155 -4.171 292 1HA GLY 20 HA2 GLY 20 2.019 -10.480 -6.092 293 2HA GLY 20 HA1 GLY 20 3.341 -11.396 -5.370 294 H GLU 21 HN GLU 21 2.854 -13.403 -4.580 295 HA GLU 21 HA GLU 21 0.264 -14.542 -5.027 296 1HB GLU 21 HB2 GLU 21 2.645 -15.445 -3.371 297 2HB GLU 21 HB1 GLU 21 1.191 -16.433 -3.544 298 1HG GLU 21 HG2 GLU 21 1.902 -17.206 -5.498 299 2HG GLU 21 HG1 GLU 21 1.914 -15.572 -6.174 300 H ARG 22 HN ARG 22 1.338 -12.477 -2.528 301 HA ARG 22 HA ARG 22 -0.416 -13.566 -0.459 302 1HB ARG 22 HB2 ARG 22 1.005 -10.904 -0.608 303 2HB ARG 22 HB1 ARG 22 0.297 -11.619 0.834 304 1HG ARG 22 HG2 ARG 22 1.872 -13.545 0.567 305 2HG ARG 22 HG1 ARG 22 2.638 -12.676 -0.773 306 1HD ARG 22 HD2 ARG 22 2.996 -10.743 0.832 307 2HD ARG 22 HD1 ARG 22 2.491 -11.841 2.130 308 HE ARG 22 HE ARG 22 4.900 -11.544 1.161 309 1HH1 ARG 22 HH21 ARG 22 4.242 -12.332 3.661 310 2HH1 ARG 22 HH22 ARG 22 4.708 -13.987 3.873 311 1HH2 ARG 22 HH11 ARG 22 4.974 -14.627 0.467 312 2HH2 ARG 22 HH12 ARG 22 5.123 -15.288 2.062 313 H GLY 23 HN GLY 23 -0.891 -11.707 -3.268 314 1HA GLY 23 HA2 GLY 23 -2.657 -10.392 -4.004 315 2HA GLY 23 HA1 GLY 23 -3.636 -11.304 -2.853 316 H PHE 24 HN PHE 24 -4.382 -8.718 -3.128 317 HA PHE 24 HA PHE 24 -3.453 -7.514 -0.561 318 1HB PHE 24 HB2 PHE 24 -3.903 -5.286 -2.192 319 2HB PHE 24 HB1 PHE 24 -2.349 -5.911 -1.655 320 HD1 PHE 24 HD1 PHE 24 -4.607 -5.484 -4.453 321 HD2 PHE 24 HD2 PHE 24 -1.078 -7.526 -3.086 322 HE1 PHE 24 HE1 PHE 24 -3.985 -5.984 -6.803 323 HE2 PHE 24 HE2 PHE 24 -0.462 -8.027 -5.437 324 HZ PHE 24 HZ PHE 24 -1.928 -7.223 -7.249 325 H PHE 25 HN PHE 25 -4.934 -5.288 -0.418 326 HA PHE 25 HA PHE 25 -7.726 -6.246 -0.833 327 1HB PHE 25 HB2 PHE 25 -6.719 -6.090 1.602 328 2HB PHE 25 HB1 PHE 25 -6.922 -4.343 1.393 329 HD1 PHE 25 HD1 PHE 25 -8.924 -7.386 0.433 330 HD2 PHE 25 HD2 PHE 25 -8.850 -3.586 2.448 331 HE1 PHE 25 HE1 PHE 25 -11.331 -7.627 0.976 332 HE2 PHE 25 HE2 PHE 25 -11.258 -3.833 2.995 333 HZ PHE 25 HZ PHE 25 -12.499 -5.853 2.260 334 H TYR 26 HN TYR 26 -6.168 -4.663 -2.688 335 HA TYR 26 HA TYR 26 -7.006 -1.875 -2.362 336 1HB TYR 26 HB2 TYR 26 -4.933 -2.418 -3.582 337 2HB TYR 26 HB1 TYR 26 -5.853 -3.361 -4.764 338 HD1 TYR 26 HD1 TYR 26 -5.047 0.019 -3.556 339 HD2 TYR 26 HD2 TYR 26 -7.332 -2.283 -6.374 340 HE1 TYR 26 HE1 TYR 26 -5.524 2.079 -4.864 341 HE2 TYR 26 HE2 TYR 26 -7.802 -0.229 -7.679 342 HH TYR 26 HH TYR 26 -7.777 2.593 -6.786 343 H THR 27 HN THR 27 -9.176 -1.418 -2.608 344 HA THR 27 HA THR 27 -10.674 -2.911 -4.746 345 HB THR 27 HB THR 27 -12.622 -2.786 -3.404 346 HG1 THR 27 HG1 THR 27 -12.859 -1.326 -1.790 347 1HG2 THR 27 HG21 THR 27 -10.764 -4.342 -2.569 348 2HG2 THR 27 HG22 THR 27 -12.020 -3.913 -1.409 349 3HG2 THR 27 HG23 THR 27 -10.452 -3.118 -1.334 350 H LYS 28 HN LYS 28 -12.846 -1.433 -5.135 351 HA LYS 28 HA LYS 28 -13.662 0.475 -6.098 352 1HB LYS 28 HB2 LYS 28 -12.578 1.449 -3.901 353 2HB LYS 28 HB1 LYS 28 -11.380 2.134 -4.998 354 1HG LYS 28 HG2 LYS 28 -13.215 3.695 -4.571 355 2HG LYS 28 HG1 LYS 28 -13.134 3.242 -6.276 356 1HD LYS 28 HD2 LYS 28 -15.154 2.241 -6.247 357 2HD LYS 28 HD1 LYS 28 -14.847 1.424 -4.706 358 1HE LYS 28 HE2 LYS 28 -15.122 3.899 -3.743 359 2HE LYS 28 HE1 LYS 28 -16.073 4.087 -5.225 360 1HZ LYS 28 HZ1 LYS 28 -17.431 3.345 -3.366 361 2HZ LYS 28 HZ2 LYS 28 -16.472 1.967 -3.171 362 3HZ LYS 28 HZ3 LYS 28 -17.396 2.167 -4.579 363 HA PRO 29 HA PRO 29 -10.489 0.110 -9.416 364 1HB PRO 29 HB2 PRO 29 -12.260 -0.794 -11.303 365 2HB PRO 29 HB1 PRO 29 -11.415 -1.844 -10.169 366 1HG PRO 29 HG2 PRO 29 -14.280 -0.984 -10.143 367 2HG PRO 29 HG1 PRO 29 -13.552 -2.466 -9.500 368 1HD PRO 29 HD2 PRO 29 -14.322 -0.188 -7.998 369 2HD PRO 29 HD1 PRO 29 -13.325 -1.538 -7.419 370 H THR 30 HN THR 30 -10.689 1.098 -11.729 371 HA THR 30 HA THR 30 -11.002 3.046 -12.963 372 HB THR 30 HB THR 30 -13.258 3.616 -13.414 373 HG1 THR 30 HG1 THR 30 -14.203 4.233 -11.583 374 1HG2 THR 30 HG21 THR 30 -13.662 0.891 -12.203 375 2HG2 THR 30 HG22 THR 30 -12.649 1.105 -13.633 376 3HG2 THR 30 HG23 THR 30 -14.349 1.562 -13.676 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -7.830 1.978 4.785 2 2H GLY 1 HT2 GLY 1 -8.988 3.161 5.130 3 3H GLY 1 HT3 GLY 1 -7.358 3.453 5.473 4 1HA GLY 1 HA1 GLY 1 -8.550 3.119 2.772 5 2HA GLY 1 HA2 GLY 1 -8.043 4.641 3.487 6 H ILE 2 HN ILE 2 -7.138 2.297 1.381 7 HA ILE 2 HA ILE 2 -4.307 2.221 1.968 8 HB ILE 2 HB ILE 2 -5.693 1.338 -0.571 9 1HG1 ILE 2 HG12 ILE 2 -5.266 -0.980 0.716 10 2HG1 ILE 2 HG11 ILE 2 -5.478 0.053 2.122 11 1HG2 ILE 2 HG21 ILE 2 -2.939 1.403 0.255 12 2HG2 ILE 2 HG22 ILE 2 -3.655 0.947 -1.276 13 3HG2 ILE 2 HG23 ILE 2 -3.452 -0.257 -0.020 14 1HD1 ILE 2 HD11 ILE 2 -7.665 0.251 1.793 15 2HD1 ILE 2 HD12 ILE 2 -7.455 -1.202 0.825 16 3HD1 ILE 2 HD13 ILE 2 -7.527 0.371 0.038 17 H VAL 3 HN VAL 3 -6.173 3.365 -0.833 18 HA VAL 3 HA VAL 3 -4.114 4.784 -2.053 19 HB VAL 3 HB VAL 3 -6.141 6.276 -2.935 20 1HG1 VAL 3 HG11 VAL 3 -6.645 4.467 -4.578 21 2HG1 VAL 3 HG12 VAL 3 -5.632 3.409 -3.606 22 3HG1 VAL 3 HG13 VAL 3 -4.940 4.835 -4.353 23 1HG2 VAL 3 HG21 VAL 3 -7.603 5.079 -1.065 24 2HG2 VAL 3 HG22 VAL 3 -7.730 3.834 -2.288 25 3HG2 VAL 3 HG23 VAL 3 -8.253 5.475 -2.644 26 H GLU 4 HN GLU 4 -6.765 6.328 -0.255 27 HA GLU 4 HA GLU 4 -5.862 8.864 -0.103 28 1HB GLU 4 HB2 GLU 4 -7.096 7.420 2.250 29 2HB GLU 4 HB1 GLU 4 -7.148 9.145 1.899 30 1HG GLU 4 HG2 GLU 4 -8.245 8.017 -0.375 31 2HG GLU 4 HG1 GLU 4 -8.801 6.947 0.911 32 H GLN 5 HN GLN 5 -4.584 6.100 1.638 33 HA GLN 5 HA GLN 5 -3.015 7.676 3.453 34 1HB GLN 5 HB2 GLN 5 -3.853 5.426 4.006 35 2HB GLN 5 HB1 GLN 5 -2.830 4.731 2.783 36 1HG GLN 5 HG2 GLN 5 -1.864 4.475 4.984 37 2HG GLN 5 HG1 GLN 5 -0.850 5.500 3.974 38 1HE2 GLN 5 HE21 GLN 5 -3.777 6.101 5.938 39 2HE2 GLN 5 HE22 GLN 5 -3.073 7.384 6.844 40 H CYS 6 HN CYS 6 -1.980 5.272 1.006 41 HA CYS 6 HA CYS 6 0.657 6.290 0.886 42 1HB CYS 6 HB2 CYS 6 -0.939 4.396 -0.825 43 2HB CYS 6 HB1 CYS 6 0.683 4.873 -1.311 44 H CYS 7 HN CYS 7 -2.155 6.763 -1.197 45 HA CYS 7 HA CYS 7 -1.121 8.109 -3.320 46 1HB CYS 7 HB2 CYS 7 -3.529 7.629 -2.973 47 2HB CYS 7 HB1 CYS 7 -3.603 8.952 -1.815 48 H THR 8 HN THR 8 -1.412 9.328 -0.042 49 HA THR 8 HA THR 8 -0.623 12.010 -0.822 50 HB THR 8 HB THR 8 -0.824 12.553 1.508 51 HG1 THR 8 HG1 THR 8 -0.021 10.930 2.671 52 1HG2 THR 8 HG21 THR 8 -3.017 10.803 0.458 53 2HG2 THR 8 HG22 THR 8 -2.963 12.548 0.659 54 3HG2 THR 8 HG23 THR 8 -3.099 11.507 2.071 55 H SER 9 HN SER 9 1.434 12.713 -0.924 56 HA SER 9 HA SER 9 3.694 12.774 -0.770 57 1HB SER 9 HB2 SER 9 3.298 12.884 1.640 58 2HB SER 9 HB1 SER 9 3.215 11.132 1.737 59 HG SER 9 HG SER 9 5.264 11.780 2.316 60 H ILE 10 HN ILE 10 5.508 10.749 0.153 61 HA ILE 10 HA ILE 10 5.134 8.796 -2.012 62 HB ILE 10 HB ILE 10 7.756 8.535 -0.900 63 1HG1 ILE 10 HG12 ILE 10 7.531 10.790 0.019 64 2HG1 ILE 10 HG11 ILE 10 8.680 10.771 -1.309 65 1HG2 ILE 10 HG21 ILE 10 6.655 8.362 -3.302 66 2HG2 ILE 10 HG22 ILE 10 8.364 8.566 -3.039 67 3HG2 ILE 10 HG23 ILE 10 7.381 9.945 -3.451 68 1HD1 ILE 10 HD11 ILE 10 6.141 11.382 -2.433 69 2HD1 ILE 10 HD12 ILE 10 7.567 12.394 -2.270 70 3HD1 ILE 10 HD13 ILE 10 6.367 12.372 -0.990 71 H CYS 11 HN CYS 11 4.271 6.943 -1.372 72 HA CYS 11 HA CYS 11 4.469 6.091 1.370 73 1HB CYS 11 HB2 CYS 11 2.583 5.693 -0.509 74 2HB CYS 11 HB1 CYS 11 3.465 4.184 -0.703 75 H SER 12 HN SER 12 5.721 4.524 2.236 76 HA SER 12 HA SER 12 7.923 3.521 0.582 77 1HB SER 12 HB2 SER 12 7.440 3.759 3.535 78 2HB SER 12 HB1 SER 12 8.662 2.637 2.935 79 HG SER 12 HG SER 12 9.387 4.830 3.416 80 H LEU 13 HN LEU 13 7.931 1.521 -0.165 81 HA LEU 13 HA LEU 13 5.913 -0.267 -0.257 82 1HB LEU 13 HB2 LEU 13 8.802 -1.075 -0.035 83 2HB LEU 13 HB1 LEU 13 7.518 -2.001 -0.763 84 HG LEU 13 HG LEU 13 8.344 -1.155 -2.663 85 1HD1 LEU 13 HD11 LEU 13 6.873 1.366 -1.897 86 2HD1 LEU 13 HD12 LEU 13 6.061 -0.136 -2.340 87 3HD1 LEU 13 HD13 LEU 13 7.110 0.671 -3.482 88 1HD2 LEU 13 HD21 LEU 13 9.441 1.054 -0.956 89 2HD2 LEU 13 HD22 LEU 13 9.424 1.203 -2.707 90 3HD2 LEU 13 HD23 LEU 13 10.281 -0.127 -1.942 91 H TYR 14 HN TYR 14 8.279 0.003 2.313 92 HA TYR 14 HA TYR 14 7.725 -2.281 3.751 93 1HB TYR 14 HB2 TYR 14 9.491 -0.658 4.341 94 2HB TYR 14 HB1 TYR 14 8.262 0.492 4.859 95 HD1 TYR 14 HD1 TYR 14 8.706 -3.183 5.454 96 HD2 TYR 14 HD2 TYR 14 8.390 0.702 7.173 97 HE1 TYR 14 HE1 TYR 14 8.763 -4.175 7.697 98 HE2 TYR 14 HE2 TYR 14 8.452 -0.284 9.421 99 HH TYR 14 HH TYR 14 9.552 -2.867 10.271 100 H GLN 15 HN GLN 15 5.956 0.740 3.562 101 HA GLN 15 HA GLN 15 3.959 -0.077 5.486 102 1HB GLN 15 HB2 GLN 15 3.915 2.293 3.600 103 2HB GLN 15 HB1 GLN 15 2.924 2.045 5.037 104 1HG GLN 15 HG2 GLN 15 5.402 1.902 6.124 105 2HG GLN 15 HG1 GLN 15 5.710 2.971 4.755 106 1HE2 GLN 15 HE21 GLN 15 5.710 5.015 5.431 107 2HE2 GLN 15 HE22 GLN 15 4.588 5.692 6.556 108 H LEU 16 HN LEU 16 4.398 0.150 2.011 109 HA LEU 16 HA LEU 16 1.751 -0.377 1.263 110 1HB LEU 16 HB2 LEU 16 3.900 0.374 -0.104 111 2HB LEU 16 HB1 LEU 16 4.023 -1.349 -0.413 112 HG LEU 16 HG LEU 16 1.566 -1.177 -1.213 113 1HD1 LEU 16 HD11 LEU 16 2.331 1.712 -0.989 114 2HD1 LEU 16 HD12 LEU 16 0.843 0.886 -0.495 115 3HD1 LEU 16 HD13 LEU 16 1.183 1.149 -2.190 116 1HD2 LEU 16 HD21 LEU 16 2.260 -0.595 -3.438 117 2HD2 LEU 16 HD22 LEU 16 3.534 -1.517 -2.650 118 3HD2 LEU 16 HD23 LEU 16 3.699 0.224 -2.822 119 H GLU 17 HN GLU 17 4.215 -2.358 2.619 120 HA GLU 17 HA GLU 17 3.277 -4.849 1.606 121 1HB GLU 17 HB2 GLU 17 5.609 -4.391 2.406 122 2HB GLU 17 HB1 GLU 17 4.985 -4.351 4.050 123 1HG GLU 17 HG2 GLU 17 4.040 -6.768 3.042 124 2HG GLU 17 HG1 GLU 17 5.628 -6.601 2.317 125 H ASN 18 HN ASN 18 2.112 -2.684 3.937 126 HA ASN 18 HA ASN 18 0.955 -4.667 5.686 127 1HB ASN 18 HB2 ASN 18 1.752 -2.221 6.246 128 2HB ASN 18 HB1 ASN 18 0.146 -1.765 5.690 129 1HD2 ASN 18 HD21 ASN 18 1.885 -3.851 7.962 130 2HD2 ASN 18 HD22 ASN 18 0.628 -3.876 9.147 131 H TYR 19 HN TYR 19 0.223 -4.050 2.627 132 HA TYR 19 HA TYR 19 -2.693 -4.027 3.032 133 1HB TYR 19 HB2 TYR 19 -1.058 -3.284 0.612 134 2HB TYR 19 HB1 TYR 19 -2.810 -3.296 0.675 135 HD1 TYR 19 HD1 TYR 19 -0.028 -1.232 0.861 136 HD2 TYR 19 HD2 TYR 19 -3.796 -1.868 2.729 137 HE1 TYR 19 HE1 TYR 19 -0.020 1.078 1.663 138 HE2 TYR 19 HE2 TYR 19 -3.803 0.458 3.516 139 HH TYR 19 HH TYR 19 -2.148 2.802 2.345 140 H CYS 20 HN CYS 20 -0.142 -6.078 2.442 141 HA CYS 20 HA CYS 20 -1.153 -7.700 0.371 142 1HB CYS 20 HB2 CYS 20 0.630 -8.801 2.519 143 2HB CYS 20 HB1 CYS 20 0.563 -9.138 0.807 144 H ASN 21 HN ASN 21 -2.755 -9.163 0.421 145 HA ASN 21 HA ASN 21 -3.484 -10.561 2.837 146 1HB ASN 21 HB2 ASN 21 -4.935 -8.713 3.113 147 2HB ASN 21 HB1 ASN 21 -5.294 -8.621 1.392 148 1HD2 ASN 21 HD21 ASN 21 -6.519 -10.459 0.459 149 2HD2 ASN 21 HD22 ASN 21 -7.687 -11.231 1.464 150 1H PHE 1 HT1 PHE 1 11.758 2.906 -3.516 151 2H PHE 1 HT2 PHE 1 10.599 3.954 -4.218 152 3H PHE 1 HT3 PHE 1 11.980 4.591 -3.424 153 HA PHE 1 HA PHE 1 13.309 3.280 -5.064 154 1HB PHE 1 HB2 PHE 1 10.834 3.598 -6.760 155 2HB PHE 1 HB1 PHE 1 12.293 2.668 -7.088 156 HD1 PHE 1 HD1 PHE 1 8.981 2.287 -6.439 157 HD2 PHE 1 HD2 PHE 1 12.748 0.890 -5.014 158 HE1 PHE 1 HE1 PHE 1 7.900 0.256 -5.574 159 HE2 PHE 1 HE2 PHE 1 11.669 -1.141 -4.149 160 HZ PHE 1 HZ PHE 1 9.247 -1.465 -4.439 161 H VAL 2 HN VAL 2 10.783 5.746 -5.224 162 HA VAL 2 HA VAL 2 12.724 7.803 -5.800 163 HB VAL 2 HB VAL 2 11.425 8.585 -7.863 164 1HG1 VAL 2 HG11 VAL 2 12.772 7.446 -9.325 165 2HG1 VAL 2 HG12 VAL 2 12.773 5.968 -8.374 166 3HG1 VAL 2 HG13 VAL 2 13.678 7.382 -7.819 167 1HG2 VAL 2 HG21 VAL 2 9.441 7.164 -7.503 168 2HG2 VAL 2 HG22 VAL 2 10.425 5.739 -7.834 169 3HG2 VAL 2 HG23 VAL 2 10.160 6.940 -9.094 170 H ASN 3 HN ASN 3 11.288 9.915 -6.405 171 HA ASN 3 HA ASN 3 9.619 10.278 -4.093 172 1HB ASN 3 HB2 ASN 3 11.193 11.962 -5.545 173 2HB ASN 3 HB1 ASN 3 9.634 12.370 -6.235 174 1HD2 ASN 3 HD21 ASN 3 10.782 11.531 -2.951 175 2HD2 ASN 3 HD22 ASN 3 10.106 12.933 -2.212 176 H GLN 4 HN GLN 4 8.349 8.359 -5.168 177 HA GLN 4 HA GLN 4 6.455 9.049 -7.179 178 1HB GLN 4 HB2 GLN 4 5.510 6.816 -6.705 179 2HB GLN 4 HB1 GLN 4 7.242 6.792 -6.939 180 1HG GLN 4 HG2 GLN 4 7.351 6.929 -4.359 181 2HG GLN 4 HG1 GLN 4 5.705 6.380 -4.414 182 1HE2 GLN 4 HE21 GLN 4 8.246 5.167 -3.432 183 2HE2 GLN 4 HE22 GLN 4 8.357 3.656 -4.260 184 H ALA 5 HN ALA 5 4.091 7.921 -6.216 185 HA ALA 5 HA ALA 5 3.278 9.589 -3.944 186 1HB ALA 5 HB1 ALA 5 1.820 9.441 -6.573 187 2HB ALA 5 HB2 ALA 5 2.744 10.821 -5.981 188 3HB ALA 5 HB3 ALA 5 1.287 10.309 -5.130 189 H LEU 6 HN LEU 6 2.328 7.083 -6.254 190 HA LEU 6 HA LEU 6 1.339 5.099 -6.002 191 1HB LEU 6 HB2 LEU 6 2.027 5.663 -3.156 192 2HB LEU 6 HB1 LEU 6 0.855 4.423 -3.468 193 HG LEU 6 HG LEU 6 3.275 3.713 -3.226 194 1HD1 LEU 6 HD11 LEU 6 2.019 1.997 -4.023 195 2HD1 LEU 6 HD12 LEU 6 2.984 2.297 -5.460 196 3HD1 LEU 6 HD13 LEU 6 1.365 2.946 -5.356 197 1HD2 LEU 6 HD21 LEU 6 4.744 3.992 -5.016 198 2HD2 LEU 6 HD22 LEU 6 4.086 5.592 -4.719 199 3HD2 LEU 6 HD23 LEU 6 3.512 4.647 -6.085 200 H CYS 7 HN CYS 7 -0.411 6.220 -7.016 201 HA CYS 7 HA CYS 7 -2.812 6.141 -5.335 202 1HB CYS 7 HB2 CYS 7 -1.778 8.545 -5.929 203 2HB CYS 7 HB1 CYS 7 -2.671 8.292 -7.417 204 H GLY 8 HN GLY 8 -4.582 5.274 -6.318 205 1HA GLY 8 HA2 GLY 8 -5.867 4.299 -7.949 206 2HA GLY 8 HA1 GLY 8 -4.874 5.094 -9.146 207 H SER 9 HN SER 9 -3.927 3.709 -10.487 208 HA SER 9 HA SER 9 -3.660 0.921 -9.841 209 1HB SER 9 HB2 SER 9 -3.199 2.627 -12.235 210 2HB SER 9 HB1 SER 9 -2.293 1.118 -12.152 211 HG SER 9 HG SER 9 -5.081 1.500 -12.208 212 H ASP 10 HN ASP 10 -1.603 3.719 -9.669 213 HA ASP 10 HA ASP 10 0.918 2.602 -9.850 214 1HB ASP 10 HB2 ASP 10 -0.253 4.979 -8.541 215 2HB ASP 10 HB1 ASP 10 1.265 4.455 -7.853 216 H LEU 11 HN LEU 11 -1.452 2.226 -7.339 217 HA LEU 11 HA LEU 11 0.355 1.262 -5.349 218 1HB LEU 11 HB2 LEU 11 -2.603 1.243 -5.695 219 2HB LEU 11 HB1 LEU 11 -1.865 0.339 -4.388 220 HG LEU 11 HG LEU 11 -1.181 3.246 -4.699 221 1HD1 LEU 11 HD11 LEU 11 -3.646 3.058 -4.878 222 2HD1 LEU 11 HD12 LEU 11 -3.081 3.914 -3.453 223 3HD1 LEU 11 HD13 LEU 11 -3.661 2.256 -3.304 224 1HD2 LEU 11 HD21 LEU 11 0.025 2.509 -2.963 225 2HD2 LEU 11 HD22 LEU 11 -1.031 1.147 -2.605 226 3HD2 LEU 11 HD23 LEU 11 -1.457 2.766 -2.065 227 H VAL 12 HN VAL 12 -2.268 -0.504 -6.952 228 HA VAL 12 HA VAL 12 -1.586 -3.042 -6.355 229 HB VAL 12 HB VAL 12 -2.425 -3.694 -8.679 230 1HG1 VAL 12 HG11 VAL 12 -3.775 -3.064 -6.461 231 2HG1 VAL 12 HG12 VAL 12 -4.547 -3.537 -7.967 232 3HG1 VAL 12 HG13 VAL 12 -4.425 -1.834 -7.542 233 1HG2 VAL 12 HG21 VAL 12 -2.771 -0.708 -8.906 234 2HG2 VAL 12 HG22 VAL 12 -3.466 -1.900 -9.982 235 3HG2 VAL 12 HG23 VAL 12 -1.732 -1.716 -9.903 236 H GLU 13 HN GLU 13 -0.112 -1.110 -8.939 237 HA GLU 13 HA GLU 13 1.550 -3.085 -9.958 238 1HB GLU 13 HB2 GLU 13 1.744 -0.115 -9.921 239 2HB GLU 13 HB1 GLU 13 2.968 -1.112 -10.703 240 1HG GLU 13 HG2 GLU 13 0.707 -2.099 -11.844 241 2HG GLU 13 HG1 GLU 13 0.229 -0.440 -11.535 242 H ALA 14 HN ALA 14 2.141 -0.624 -7.523 243 HA ALA 14 HA ALA 14 4.748 -1.736 -6.889 244 1HB ALA 14 HB1 ALA 14 5.057 0.100 -5.519 245 2HB ALA 14 HB2 ALA 14 3.335 0.311 -5.233 246 3HB ALA 14 HB3 ALA 14 4.025 0.747 -6.794 247 H LEU 15 HN LEU 15 1.586 -2.520 -6.090 248 HA LEU 15 HA LEU 15 2.141 -3.357 -3.426 249 1HB LEU 15 HB2 LEU 15 -0.163 -2.590 -4.791 250 2HB LEU 15 HB1 LEU 15 -0.390 -4.270 -4.436 251 HG LEU 15 HG LEU 15 -0.138 -1.939 -2.583 252 1HD1 LEU 15 HD11 LEU 15 -2.316 -2.381 -2.720 253 2HD1 LEU 15 HD12 LEU 15 -1.968 -3.642 -1.549 254 3HD1 LEU 15 HD13 LEU 15 -2.082 -4.020 -3.256 255 1HD2 LEU 15 HD21 LEU 15 1.496 -3.280 -1.574 256 2HD2 LEU 15 HD22 LEU 15 0.660 -4.760 -2.005 257 3HD2 LEU 15 HD23 LEU 15 0.029 -3.740 -0.740 258 H TYR 16 HN TYR 16 0.777 -5.014 -6.296 259 HA TYR 16 HA TYR 16 1.142 -7.575 -5.236 260 1HB TYR 16 HB2 TYR 16 1.007 -8.397 -7.595 261 2HB TYR 16 HB1 TYR 16 -0.287 -7.368 -7.076 262 HD1 TYR 16 HD1 TYR 16 -1.140 -6.134 -8.788 263 HD2 TYR 16 HD2 TYR 16 3.063 -6.726 -8.617 264 HE1 TYR 16 HE1 TYR 16 -0.863 -4.783 -10.815 265 HE2 TYR 16 HE2 TYR 16 3.346 -5.350 -10.619 266 HH TYR 16 HH TYR 16 1.442 -4.807 -12.743 267 H LEU 17 HN LEU 17 3.459 -5.379 -6.567 268 HA LEU 17 HA LEU 17 5.401 -7.455 -7.091 269 1HB LEU 17 HB2 LEU 17 5.082 -4.689 -7.746 270 2HB LEU 17 HB1 LEU 17 6.609 -4.864 -6.924 271 HG LEU 17 HG LEU 17 7.377 -6.462 -8.551 272 1HD1 LEU 17 HD11 LEU 17 4.741 -6.179 -9.924 273 2HD1 LEU 17 HD12 LEU 17 5.174 -7.575 -8.980 274 3HD1 LEU 17 HD13 LEU 17 6.068 -7.172 -10.430 275 1HD2 LEU 17 HD21 LEU 17 7.429 -5.046 -10.535 276 2HD2 LEU 17 HD22 LEU 17 7.647 -4.087 -9.073 277 3HD2 LEU 17 HD23 LEU 17 6.089 -4.088 -9.901 278 H VAL 18 HN VAL 18 4.675 -5.187 -4.531 279 HA VAL 18 HA VAL 18 7.085 -5.710 -3.050 280 HB VAL 18 HB VAL 18 5.823 -4.635 -1.126 281 1HG1 VAL 18 HG11 VAL 18 7.276 -3.288 -2.369 282 2HG1 VAL 18 HG12 VAL 18 5.780 -2.366 -2.232 283 3HG1 VAL 18 HG13 VAL 18 6.185 -3.197 -3.738 284 1HG2 VAL 18 HG21 VAL 18 3.762 -4.232 -3.219 285 2HG2 VAL 18 HG22 VAL 18 3.747 -3.459 -1.676 286 3HG2 VAL 18 HG23 VAL 18 3.567 -5.181 -1.795 287 H CYS 19 HN CYS 19 3.751 -6.907 -2.938 288 HA CYS 19 HA CYS 19 4.318 -8.629 -0.673 289 1HB CYS 19 HB2 CYS 19 1.854 -8.599 -2.425 290 2HB CYS 19 HB1 CYS 19 2.031 -9.249 -0.820 291 H GLY 20 HN GLY 20 3.102 -9.247 -3.984 292 1HA GLY 20 HA2 GLY 20 3.448 -10.991 -5.399 293 2HA GLY 20 HA1 GLY 20 5.019 -11.175 -4.638 294 H GLU 21 HN GLU 21 2.114 -12.683 -5.230 295 HA GLU 21 HA GLU 21 1.473 -14.799 -4.732 296 1HB GLU 21 HB2 GLU 21 4.035 -14.853 -3.721 297 2HB GLU 21 HB1 GLU 21 3.088 -15.214 -2.286 298 1HG GLU 21 HG2 GLU 21 2.392 -17.214 -3.106 299 2HG GLU 21 HG1 GLU 21 2.463 -16.699 -4.791 300 H ARG 22 HN ARG 22 1.508 -12.187 -2.514 301 HA ARG 22 HA ARG 22 -0.139 -13.410 -0.517 302 1HB ARG 22 HB2 ARG 22 0.950 -10.704 -1.066 303 2HB ARG 22 HB1 ARG 22 -0.493 -10.771 -0.090 304 1HG ARG 22 HG2 ARG 22 0.879 -11.021 1.638 305 2HG ARG 22 HG1 ARG 22 1.021 -12.687 1.120 306 1HD ARG 22 HD2 ARG 22 2.966 -11.987 -0.307 307 2HD ARG 22 HD1 ARG 22 2.883 -10.414 0.483 308 HE ARG 22 HE ARG 22 3.007 -12.243 2.530 309 1HH1 ARG 22 HH11 ARG 22 5.023 -11.356 -0.208 310 2HH1 ARG 22 HH12 ARG 22 6.484 -11.804 0.588 311 1HH2 ARG 22 HH21 ARG 22 4.952 -12.821 3.559 312 2HH2 ARG 22 HH22 ARG 22 6.456 -12.632 2.720 313 H GLY 23 HN GLY 23 -0.778 -10.762 -2.842 314 1HA GLY 23 HA2 GLY 23 -2.736 -11.127 -4.319 315 2HA GLY 23 HA1 GLY 23 -3.619 -11.647 -2.896 316 H PHE 24 HN PHE 24 -2.109 -9.467 -1.357 317 HA PHE 24 HA PHE 24 -2.741 -7.468 -0.531 318 1HB PHE 24 HB2 PHE 24 -2.459 -5.622 -1.989 319 2HB PHE 24 HB1 PHE 24 -1.231 -6.810 -2.346 320 HD1 PHE 24 HD1 PHE 24 -1.392 -8.176 -4.410 321 HD2 PHE 24 HD2 PHE 24 -4.081 -4.963 -3.623 322 HE1 PHE 24 HE1 PHE 24 -2.049 -8.143 -6.777 323 HE2 PHE 24 HE2 PHE 24 -4.729 -4.929 -5.991 324 HZ PHE 24 HZ PHE 24 -3.702 -6.507 -7.577 325 H PHE 25 HN PHE 25 -4.288 -5.515 -0.737 326 HA PHE 25 HA PHE 25 -6.924 -6.577 -1.520 327 1HB PHE 25 HB2 PHE 25 -6.213 -6.211 1.026 328 2HB PHE 25 HB1 PHE 25 -6.714 -4.568 0.708 329 HD1 PHE 25 HD1 PHE 25 -8.764 -4.255 1.726 330 HD2 PHE 25 HD2 PHE 25 -8.058 -7.870 -0.425 331 HE1 PHE 25 HE1 PHE 25 -11.091 -4.943 2.112 332 HE2 PHE 25 HE2 PHE 25 -10.382 -8.549 -0.049 333 HZ PHE 25 HZ PHE 25 -11.905 -7.090 1.224 334 H TYR 26 HN TYR 26 -6.014 -3.312 -0.399 335 HA TYR 26 HA TYR 26 -6.652 -1.312 -1.249 336 1HB TYR 26 HB2 TYR 26 -4.594 -1.502 -2.393 337 2HB TYR 26 HB1 TYR 26 -5.263 -2.656 -3.545 338 HD1 TYR 26 HD1 TYR 26 -4.652 -1.429 -5.511 339 HD2 TYR 26 HD2 TYR 26 -6.980 0.465 -2.514 340 HE1 TYR 26 HE1 TYR 26 -5.158 0.388 -7.078 341 HE2 TYR 26 HE2 TYR 26 -7.491 2.291 -4.055 342 HH TYR 26 HH TYR 26 -6.130 3.258 -6.269 343 H THR 27 HN THR 27 -8.957 -1.684 -1.054 344 HA THR 27 HA THR 27 -10.275 -2.112 -3.678 345 HB THR 27 HB THR 27 -12.112 -3.099 -2.583 346 HG1 THR 27 HG1 THR 27 -12.535 -2.881 -0.489 347 1HG2 THR 27 HG21 THR 27 -10.184 -4.613 -2.757 348 2HG2 THR 27 HG22 THR 27 -11.227 -4.985 -1.384 349 3HG2 THR 27 HG23 THR 27 -9.699 -4.149 -1.127 350 H LYS 28 HN LYS 28 -12.141 -0.894 -4.122 351 HA LYS 28 HA LYS 28 -11.941 1.829 -3.650 352 1HB LYS 28 HB2 LYS 28 -13.796 0.028 -4.935 353 2HB LYS 28 HB1 LYS 28 -14.706 1.267 -4.115 354 1HG LYS 28 HG2 LYS 28 -13.575 2.999 -5.367 355 2HG LYS 28 HG1 LYS 28 -12.435 1.834 -5.999 356 1HD LYS 28 HD2 LYS 28 -13.819 1.933 -7.770 357 2HD LYS 28 HD1 LYS 28 -14.631 0.642 -6.887 358 1HE LYS 28 HE2 LYS 28 -15.469 3.422 -6.220 359 2HE LYS 28 HE1 LYS 28 -15.857 2.845 -7.836 360 1HZ LYS 28 HZ1 LYS 28 -16.588 1.461 -5.314 361 2HZ LYS 28 HZ2 LYS 28 -16.982 0.948 -6.879 362 3HZ LYS 28 HZ3 LYS 28 -17.630 2.387 -6.273 363 HA PRO 29 HA PRO 29 -13.850 3.200 0.076 364 1HB PRO 29 HB2 PRO 29 -16.452 3.736 -1.327 365 2HB PRO 29 HB1 PRO 29 -15.523 4.758 -0.222 366 1HG PRO 29 HG2 PRO 29 -15.464 5.183 -2.843 367 2HG PRO 29 HG1 PRO 29 -14.002 5.370 -1.857 368 1HD PRO 29 HD2 PRO 29 -14.781 3.224 -3.717 369 2HD PRO 29 HD1 PRO 29 -13.155 3.839 -3.364 370 H THR 30 HN THR 30 -14.204 1.609 1.510 371 HA THR 30 HA THR 30 -15.837 -0.647 1.055 372 HB THR 30 HB THR 30 -15.575 -0.186 3.888 373 HG1 THR 30 HG1 THR 30 -13.584 0.526 4.117 374 1HG2 THR 30 HG21 THR 30 -14.024 -2.024 3.820 375 2HG2 THR 30 HG22 THR 30 -13.922 -1.907 2.063 376 3HG2 THR 30 HG23 THR 30 -15.440 -2.375 2.830 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -10.008 2.607 4.548 2 2H GLY 1 HT2 GLY 1 -9.072 1.201 4.592 3 3H GLY 1 HT3 GLY 1 -9.458 1.916 3.106 4 1HA GLY 1 HA1 GLY 1 -8.169 3.880 3.684 5 2HA GLY 1 HA2 GLY 1 -7.759 3.129 5.220 6 H ILE 2 HN ILE 2 -6.353 3.928 2.517 7 HA ILE 2 HA ILE 2 -4.199 2.227 2.753 8 HB ILE 2 HB ILE 2 -5.529 0.414 1.900 9 1HG1 ILE 2 HG12 ILE 2 -3.139 1.020 0.839 10 2HG1 ILE 2 HG11 ILE 2 -4.059 -0.380 0.347 11 1HG2 ILE 2 HG21 ILE 2 -6.685 0.547 -0.245 12 2HG2 ILE 2 HG22 ILE 2 -6.262 2.225 -0.373 13 3HG2 ILE 2 HG23 ILE 2 -7.313 1.706 0.908 14 1HD1 ILE 2 HD11 ILE 2 -3.275 0.617 -1.581 15 2HD1 ILE 2 HD12 ILE 2 -3.668 2.237 -1.053 16 3HD1 ILE 2 HD13 ILE 2 -4.943 1.119 -1.519 17 H VAL 3 HN VAL 3 -6.114 3.982 0.365 18 HA VAL 3 HA VAL 3 -3.684 4.929 -0.941 19 HB VAL 3 HB VAL 3 -6.483 5.773 -1.684 20 1HG1 VAL 3 HG11 VAL 3 -5.139 5.561 -3.983 21 2HG1 VAL 3 HG12 VAL 3 -3.772 5.832 -2.905 22 3HG1 VAL 3 HG13 VAL 3 -5.092 6.991 -2.967 23 1HG2 VAL 3 HG21 VAL 3 -6.193 3.810 -3.397 24 2HG2 VAL 3 HG22 VAL 3 -6.855 3.535 -1.805 25 3HG2 VAL 3 HG23 VAL 3 -5.203 3.136 -2.125 26 H GLU 4 HN GLU 4 -6.443 6.188 0.892 27 HA GLU 4 HA GLU 4 -6.094 8.884 0.680 28 1HB GLU 4 HB2 GLU 4 -6.735 7.332 3.195 29 2HB GLU 4 HB1 GLU 4 -6.983 9.066 2.995 30 1HG GLU 4 HG2 GLU 4 -8.354 8.140 0.853 31 2HG GLU 4 HG1 GLU 4 -8.528 6.775 1.957 32 H GLN 5 HN GLN 5 -4.164 6.655 2.627 33 HA GLN 5 HA GLN 5 -2.568 8.847 3.707 34 1HB GLN 5 HB2 GLN 5 -3.345 6.608 4.872 35 2HB GLN 5 HB1 GLN 5 -1.892 5.954 4.132 36 1HG GLN 5 HG2 GLN 5 -0.491 7.214 5.419 37 2HG GLN 5 HG1 GLN 5 -1.668 8.501 5.676 38 1HE2 GLN 5 HE21 GLN 5 -3.162 8.320 7.336 39 2HE2 GLN 5 HE22 GLN 5 -3.027 7.111 8.562 40 H CYS 6 HN CYS 6 -2.088 5.979 1.650 41 HA CYS 6 HA CYS 6 0.642 6.529 1.153 42 1HB CYS 6 HB2 CYS 6 -1.378 4.765 -0.231 43 2HB CYS 6 HB1 CYS 6 0.281 4.851 -0.746 44 H CYS 7 HN CYS 7 -2.258 7.656 -0.334 45 HA CYS 7 HA CYS 7 -0.894 8.633 -2.703 46 1HB CYS 7 HB2 CYS 7 -3.142 7.807 -2.937 47 2HB CYS 7 HB1 CYS 7 -3.749 8.946 -1.761 48 H THR 8 HN THR 8 -2.756 10.124 -0.052 49 HA THR 8 HA THR 8 -2.360 12.771 -0.564 50 HB THR 8 HB THR 8 -3.636 11.813 1.341 51 HG1 THR 8 HG1 THR 8 -3.369 13.962 1.495 52 1HG2 THR 8 HG21 THR 8 -1.052 11.751 2.869 53 2HG2 THR 8 HG22 THR 8 -1.791 10.324 2.154 54 3HG2 THR 8 HG23 THR 8 -2.648 11.224 3.379 55 H SER 9 HN SER 9 -0.109 10.625 1.154 56 HA SER 9 HA SER 9 2.037 12.605 0.731 57 1HB SER 9 HB2 SER 9 1.184 11.983 3.161 58 2HB SER 9 HB1 SER 9 2.205 10.567 2.923 59 HG SER 9 HG SER 9 2.922 13.295 2.976 60 H ILE 10 HN ILE 10 4.159 11.004 1.437 61 HA ILE 10 HA ILE 10 4.261 9.216 -0.884 62 HB ILE 10 HB ILE 10 6.723 9.586 0.741 63 1HG1 ILE 10 HG12 ILE 10 5.946 11.830 0.976 64 2HG1 ILE 10 HG11 ILE 10 7.127 11.834 -0.321 65 1HG2 ILE 10 HG21 ILE 10 6.161 9.870 -2.203 66 2HG2 ILE 10 HG22 ILE 10 6.660 8.374 -1.390 67 3HG2 ILE 10 HG23 ILE 10 7.723 9.768 -1.405 68 1HD1 ILE 10 HD11 ILE 10 4.712 11.421 -1.641 69 2HD1 ILE 10 HD12 ILE 10 5.630 12.914 -1.517 70 3HD1 ILE 10 HD13 ILE 10 4.345 12.586 -0.367 71 H CYS 11 HN CYS 11 3.590 7.201 -0.454 72 HA CYS 11 HA CYS 11 3.929 6.078 2.191 73 1HB CYS 11 HB2 CYS 11 2.119 5.670 0.139 74 2HB CYS 11 HB1 CYS 11 3.049 4.202 0.108 75 H SER 12 HN SER 12 5.388 4.624 2.846 76 HA SER 12 HA SER 12 7.576 3.965 1.017 77 1HB SER 12 HB2 SER 12 7.289 3.432 3.984 78 2HB SER 12 HB1 SER 12 8.743 3.194 3.018 79 HG SER 12 HG SER 12 8.857 5.178 4.055 80 H LEU 13 HN LEU 13 7.780 2.021 0.103 81 HA LEU 13 HA LEU 13 5.843 0.134 -0.120 82 1HB LEU 13 HB2 LEU 13 8.804 0.006 -0.340 83 2HB LEU 13 HB1 LEU 13 7.916 -1.488 -0.459 84 HG LEU 13 HG LEU 13 6.720 -0.731 -2.386 85 1HD1 LEU 13 HD11 LEU 13 7.880 1.954 -1.747 86 2HD1 LEU 13 HD12 LEU 13 6.193 1.491 -1.821 87 3HD1 LEU 13 HD13 LEU 13 7.142 1.565 -3.292 88 1HD2 LEU 13 HD21 LEU 13 8.895 -1.571 -2.890 89 2HD2 LEU 13 HD22 LEU 13 9.649 -0.025 -2.555 90 3HD2 LEU 13 HD23 LEU 13 8.540 -0.215 -3.913 91 H TYR 14 HN TYR 14 8.236 0.342 2.427 92 HA TYR 14 HA TYR 14 7.879 -2.131 3.627 93 1HB TYR 14 HB2 TYR 14 9.617 -0.608 4.359 94 2HB TYR 14 HB1 TYR 14 8.416 0.571 4.879 95 HD1 TYR 14 HD1 TYR 14 8.505 -3.122 5.443 96 HD2 TYR 14 HD2 TYR 14 8.765 0.754 7.194 97 HE1 TYR 14 HE1 TYR 14 8.504 -4.136 7.675 98 HE2 TYR 14 HE2 TYR 14 8.771 -0.257 9.432 99 HH TYR 14 HH TYR 14 9.544 -3.007 10.211 100 H GLN 15 HN GLN 15 5.935 0.783 3.761 101 HA GLN 15 HA GLN 15 4.097 -0.298 5.714 102 1HB GLN 15 HB2 GLN 15 3.820 2.200 4.024 103 2HB GLN 15 HB1 GLN 15 2.907 1.780 5.473 104 1HG GLN 15 HG2 GLN 15 5.283 1.749 6.590 105 2HG GLN 15 HG1 GLN 15 5.717 2.729 5.193 106 1HE2 GLN 15 HE21 GLN 15 3.204 2.504 7.704 107 2HE2 GLN 15 HE22 GLN 15 3.081 4.210 7.944 108 H LEU 16 HN LEU 16 4.342 0.151 2.247 109 HA LEU 16 HA LEU 16 1.694 -0.412 1.586 110 1HB LEU 16 HB2 LEU 16 3.757 0.431 0.159 111 2HB LEU 16 HB1 LEU 16 3.926 -1.276 -0.208 112 HG LEU 16 HG LEU 16 1.507 -1.179 -0.966 113 1HD1 LEU 16 HD11 LEU 16 1.990 1.763 -0.838 114 2HD1 LEU 16 HD12 LEU 16 0.841 0.856 0.137 115 3HD1 LEU 16 HD13 LEU 16 0.606 0.978 -1.597 116 1HD2 LEU 16 HD21 LEU 16 2.067 -0.549 -3.137 117 2HD2 LEU 16 HD22 LEU 16 3.571 -1.117 -2.410 118 3HD2 LEU 16 HD23 LEU 16 3.276 0.601 -2.565 119 H GLU 17 HN GLU 17 4.238 -2.427 2.738 120 HA GLU 17 HA GLU 17 3.257 -4.885 1.651 121 1HB GLU 17 HB2 GLU 17 5.633 -4.339 2.472 122 2HB GLU 17 HB1 GLU 17 5.011 -4.604 4.096 123 1HG GLU 17 HG2 GLU 17 4.163 -6.860 2.852 124 2HG GLU 17 HG1 GLU 17 5.619 -6.509 1.928 125 H ASN 18 HN ASN 18 2.203 -2.844 4.156 126 HA ASN 18 HA ASN 18 1.140 -4.910 5.852 127 1HB ASN 18 HB2 ASN 18 1.923 -2.545 6.539 128 2HB ASN 18 HB1 ASN 18 0.362 -1.990 5.945 129 1HD2 ASN 18 HD21 ASN 18 -1.166 -1.871 7.455 130 2HD2 ASN 18 HD22 ASN 18 -1.223 -2.820 8.897 131 H TYR 19 HN TYR 19 0.228 -3.966 2.847 132 HA TYR 19 HA TYR 19 -2.654 -4.030 3.392 133 1HB TYR 19 HB2 TYR 19 -1.100 -3.315 0.942 134 2HB TYR 19 HB1 TYR 19 -2.844 -3.353 0.994 135 HD1 TYR 19 HD1 TYR 19 -3.868 -1.911 3.015 136 HD2 TYR 19 HD2 TYR 19 -0.078 -1.243 1.205 137 HE1 TYR 19 HE1 TYR 19 -3.903 0.414 3.797 138 HE2 TYR 19 HE2 TYR 19 -0.099 1.064 1.995 139 HH TYR 19 HH TYR 19 -1.554 2.262 4.207 140 H CYS 20 HN CYS 20 -0.043 -5.970 2.163 141 HA CYS 20 HA CYS 20 -1.509 -7.657 0.500 142 1HB CYS 20 HB2 CYS 20 0.331 -9.129 0.541 143 2HB CYS 20 HB1 CYS 20 0.903 -7.494 0.550 144 H ASN 21 HN ASN 21 -2.440 -9.694 0.823 145 HA ASN 21 HA ASN 21 -3.676 -10.024 3.406 146 1HB ASN 21 HB2 ASN 21 -4.812 -11.947 2.366 147 2HB ASN 21 HB1 ASN 21 -4.936 -10.494 1.377 148 1HD2 ASN 21 HD21 ASN 21 -5.362 -11.760 -0.464 149 2HD2 ASN 21 HD22 ASN 21 -4.115 -12.666 -1.232 150 1H PHE 1 HT1 PHE 1 9.282 2.809 -2.599 151 2H PHE 1 HT2 PHE 1 9.252 1.372 -3.432 152 3H PHE 1 HT3 PHE 1 9.383 2.792 -4.286 153 HA PHE 1 HA PHE 1 11.291 1.607 -2.398 154 1HB PHE 1 HB2 PHE 1 11.893 2.219 -5.276 155 2HB PHE 1 HB1 PHE 1 12.615 1.024 -4.202 156 HD1 PHE 1 HD1 PHE 1 9.504 1.833 -6.072 157 HD2 PHE 1 HD2 PHE 1 11.887 -1.205 -4.264 158 HE1 PHE 1 HE1 PHE 1 8.037 0.118 -7.030 159 HE2 PHE 1 HE2 PHE 1 10.422 -2.925 -5.232 160 HZ PHE 1 HZ PHE 1 8.495 -2.264 -6.612 161 H VAL 2 HN VAL 2 10.587 4.265 -4.651 162 HA VAL 2 HA VAL 2 12.698 5.896 -3.421 163 HB VAL 2 HB VAL 2 12.511 7.351 -5.272 164 1HG1 VAL 2 HG11 VAL 2 12.886 5.929 -7.173 165 2HG1 VAL 2 HG12 VAL 2 12.103 4.574 -6.360 166 3HG1 VAL 2 HG13 VAL 2 13.625 5.218 -5.741 167 1HG2 VAL 2 HG21 VAL 2 10.344 7.825 -5.765 168 2HG2 VAL 2 HG22 VAL 2 9.805 6.162 -5.574 169 3HG2 VAL 2 HG23 VAL 2 10.627 6.661 -7.049 170 H ASN 3 HN ASN 3 11.576 8.429 -3.910 171 HA ASN 3 HA ASN 3 9.595 8.537 -1.753 172 1HB ASN 3 HB2 ASN 3 11.405 10.571 -3.055 173 2HB ASN 3 HB1 ASN 3 10.063 11.067 -2.027 174 1HD2 ASN 3 HD21 ASN 3 11.669 12.027 -0.663 175 2HD2 ASN 3 HD22 ASN 3 12.525 11.033 0.460 176 H GLN 4 HN GLN 4 8.655 7.450 -4.139 177 HA GLN 4 HA GLN 4 7.287 9.524 -5.622 178 1HB GLN 4 HB2 GLN 4 6.546 7.765 -7.041 179 2HB GLN 4 HB1 GLN 4 8.242 7.511 -6.706 180 1HG GLN 4 HG2 GLN 4 7.277 5.947 -4.793 181 2HG GLN 4 HG1 GLN 4 5.854 5.962 -5.834 182 1HE2 GLN 4 HE21 GLN 4 6.131 3.708 -6.168 183 2HE2 GLN 4 HE22 GLN 4 7.344 3.130 -7.253 184 H ALA 5 HN ALA 5 4.964 9.475 -5.932 185 HA ALA 5 HA ALA 5 3.565 9.127 -3.411 186 1HB ALA 5 HB1 ALA 5 2.533 10.067 -6.088 187 2HB ALA 5 HB2 ALA 5 3.154 11.096 -4.798 188 3HB ALA 5 HB3 ALA 5 1.680 10.163 -4.546 189 H LEU 6 HN LEU 6 1.462 7.992 -3.315 190 HA LEU 6 HA LEU 6 1.372 5.634 -5.109 191 1HB LEU 6 HB2 LEU 6 1.505 5.808 -2.160 192 2HB LEU 6 HB1 LEU 6 0.347 4.673 -2.789 193 HG LEU 6 HG LEU 6 2.713 3.850 -2.205 194 1HD1 LEU 6 HD11 LEU 6 1.589 2.203 -3.238 195 2HD1 LEU 6 HD12 LEU 6 2.681 2.565 -4.564 196 3HD1 LEU 6 HD13 LEU 6 1.052 3.229 -4.568 197 1HD2 LEU 6 HD21 LEU 6 3.362 4.931 -4.939 198 2HD2 LEU 6 HD22 LEU 6 4.422 4.130 -3.799 199 3HD2 LEU 6 HD23 LEU 6 3.833 5.742 -3.441 200 H CYS 7 HN CYS 7 -0.244 6.425 -6.383 201 HA CYS 7 HA CYS 7 -2.893 6.391 -5.131 202 1HB CYS 7 HB2 CYS 7 -1.702 8.789 -5.805 203 2HB CYS 7 HB1 CYS 7 -2.631 8.436 -7.250 204 H GLY 8 HN GLY 8 -4.427 5.387 -6.318 205 1HA GLY 8 HA2 GLY 8 -5.409 4.301 -8.071 206 2HA GLY 8 HA1 GLY 8 -4.324 5.149 -9.156 207 H SER 9 HN SER 9 -3.588 3.551 -10.447 208 HA SER 9 HA SER 9 -3.114 0.898 -9.701 209 1HB SER 9 HB2 SER 9 -2.357 2.611 -12.012 210 2HB SER 9 HB1 SER 9 -1.442 1.120 -11.799 211 HG SER 9 HG SER 9 -3.236 0.711 -13.068 212 H ASP 10 HN ASP 10 -1.145 3.754 -9.326 213 HA ASP 10 HA ASP 10 1.396 2.735 -9.123 214 1HB ASP 10 HB2 ASP 10 -0.015 4.967 -7.712 215 2HB ASP 10 HB1 ASP 10 1.630 4.579 -7.257 216 H LEU 11 HN LEU 11 -1.280 2.301 -6.924 217 HA LEU 11 HA LEU 11 0.298 1.362 -4.736 218 1HB LEU 11 HB2 LEU 11 -2.614 1.194 -5.373 219 2HB LEU 11 HB1 LEU 11 -1.931 0.538 -3.896 220 HG LEU 11 HG LEU 11 -1.417 3.420 -4.550 221 1HD1 LEU 11 HD11 LEU 11 -3.988 2.310 -3.495 222 2HD1 LEU 11 HD12 LEU 11 -3.764 3.265 -4.956 223 3HD1 LEU 11 HD13 LEU 11 -3.500 3.976 -3.380 224 1HD2 LEU 11 HD21 LEU 11 -1.746 3.480 -1.997 225 2HD2 LEU 11 HD22 LEU 11 -0.315 2.706 -2.629 226 3HD2 LEU 11 HD23 LEU 11 -1.636 1.728 -2.078 227 H VAL 12 HN VAL 12 -2.125 -0.407 -6.621 228 HA VAL 12 HA VAL 12 -1.483 -2.945 -5.919 229 HB VAL 12 HB VAL 12 -2.171 -3.642 -8.247 230 1HG1 VAL 12 HG11 VAL 12 -4.121 -3.672 -7.228 231 2HG1 VAL 12 HG12 VAL 12 -4.399 -2.045 -7.817 232 3HG1 VAL 12 HG13 VAL 12 -3.709 -2.293 -6.210 233 1HG2 VAL 12 HG21 VAL 12 -2.394 -0.661 -8.621 234 2HG2 VAL 12 HG22 VAL 12 -3.073 -1.864 -9.693 235 3HG2 VAL 12 HG23 VAL 12 -1.341 -1.752 -9.508 236 H GLU 13 HN GLU 13 0.158 -0.987 -8.376 237 HA GLU 13 HA GLU 13 1.890 -2.972 -9.282 238 1HB GLU 13 HB2 GLU 13 1.903 -0.007 -9.353 239 2HB GLU 13 HB1 GLU 13 3.340 -0.879 -9.854 240 1HG GLU 13 HG2 GLU 13 1.015 -2.007 -11.141 241 2HG GLU 13 HG1 GLU 13 1.037 -0.268 -11.348 242 H ALA 14 HN ALA 14 2.281 -0.496 -6.814 243 HA ALA 14 HA ALA 14 4.900 -1.472 -6.063 244 1HB ALA 14 HB1 ALA 14 4.689 0.181 -4.215 245 2HB ALA 14 HB2 ALA 14 3.057 0.540 -4.798 246 3HB ALA 14 HB3 ALA 14 4.446 0.864 -5.820 247 H LEU 15 HN LEU 15 1.664 -2.230 -5.310 248 HA LEU 15 HA LEU 15 2.074 -3.298 -2.732 249 1HB LEU 15 HB2 LEU 15 -0.109 -2.851 -4.533 250 2HB LEU 15 HB1 LEU 15 -0.275 -4.383 -3.793 251 HG LEU 15 HG LEU 15 -0.414 -1.649 -2.597 252 1HD1 LEU 15 HD11 LEU 15 -2.453 -2.389 -1.783 253 2HD1 LEU 15 HD12 LEU 15 -2.047 -4.076 -1.993 254 3HD1 LEU 15 HD13 LEU 15 -2.372 -3.061 -3.404 255 1HD2 LEU 15 HD21 LEU 15 1.236 -3.140 -1.239 256 2HD2 LEU 15 HD22 LEU 15 -0.205 -4.021 -0.776 257 3HD2 LEU 15 HD23 LEU 15 -0.076 -2.322 -0.452 258 H TYR 16 HN TYR 16 0.853 -5.037 -5.613 259 HA TYR 16 HA TYR 16 1.509 -7.526 -4.636 260 1HB TYR 16 HB2 TYR 16 1.449 -8.340 -6.977 261 2HB TYR 16 HB1 TYR 16 0.062 -7.400 -6.486 262 HD1 TYR 16 HD1 TYR 16 3.424 -6.553 -7.944 263 HD2 TYR 16 HD2 TYR 16 -0.800 -6.192 -8.218 264 HE1 TYR 16 HE1 TYR 16 3.680 -5.165 -9.940 265 HE2 TYR 16 HE2 TYR 16 -0.548 -4.817 -10.231 266 HH TYR 16 HH TYR 16 1.806 -4.714 -12.105 267 H LEU 17 HN LEU 17 3.676 -5.131 -5.791 268 HA LEU 17 HA LEU 17 5.765 -7.069 -6.309 269 1HB LEU 17 HB2 LEU 17 5.277 -4.348 -6.988 270 2HB LEU 17 HB1 LEU 17 6.767 -4.391 -6.087 271 HG LEU 17 HG LEU 17 7.699 -6.005 -7.642 272 1HD1 LEU 17 HD11 LEU 17 5.136 -5.762 -9.157 273 2HD1 LEU 17 HD12 LEU 17 5.581 -7.172 -8.235 274 3HD1 LEU 17 HD13 LEU 17 6.522 -6.693 -9.634 275 1HD2 LEU 17 HD21 LEU 17 6.466 -3.621 -9.026 276 2HD2 LEU 17 HD22 LEU 17 7.831 -4.567 -9.623 277 3HD2 LEU 17 HD23 LEU 17 7.987 -3.644 -8.134 278 H VAL 18 HN VAL 18 4.635 -5.166 -3.658 279 HA VAL 18 HA VAL 18 7.101 -5.384 -2.189 280 HB VAL 18 HB VAL 18 5.601 -4.626 -0.201 281 1HG1 VAL 18 HG11 VAL 18 5.752 -2.278 -0.964 282 2HG1 VAL 18 HG12 VAL 18 6.188 -2.868 -2.569 283 3HG1 VAL 18 HG13 VAL 18 7.222 -3.218 -1.199 284 1HG2 VAL 18 HG21 VAL 18 3.506 -4.024 -0.514 285 2HG2 VAL 18 HG22 VAL 18 3.568 -5.053 -1.905 286 3HG2 VAL 18 HG23 VAL 18 3.799 -3.355 -2.088 287 H CYS 19 HN CYS 19 3.876 -6.983 -1.883 288 HA CYS 19 HA CYS 19 5.141 -8.786 0.040 289 1HB CYS 19 HB2 CYS 19 2.616 -7.791 0.024 290 2HB CYS 19 HB1 CYS 19 2.344 -9.419 -0.487 291 H GLY 20 HN GLY 20 3.630 -8.968 -3.187 292 1HA GLY 20 HA2 GLY 20 4.860 -10.482 -4.694 293 2HA GLY 20 HA1 GLY 20 4.828 -11.684 -3.422 294 H GLU 21 HN GLU 21 3.551 -13.289 -4.075 295 HA GLU 21 HA GLU 21 1.384 -12.973 -5.925 296 1HB GLU 21 HB2 GLU 21 1.837 -15.341 -4.095 297 2HB GLU 21 HB1 GLU 21 1.004 -15.309 -5.648 298 1HG GLU 21 HG2 GLU 21 3.157 -14.778 -6.743 299 2HG GLU 21 HG1 GLU 21 3.958 -14.925 -5.181 300 H ARG 22 HN ARG 22 1.742 -12.563 -2.596 301 HA ARG 22 HA ARG 22 -0.031 -12.958 -0.936 302 1HB ARG 22 HB2 ARG 22 -0.573 -10.332 -0.917 303 2HB ARG 22 HB1 ARG 22 0.970 -11.010 -0.454 304 1HG ARG 22 HG2 ARG 22 2.029 -10.095 -2.175 305 2HG ARG 22 HG1 ARG 22 0.833 -10.594 -3.299 306 1HD ARG 22 HD2 ARG 22 0.304 -8.535 -3.581 307 2HD ARG 22 HD1 ARG 22 -0.473 -8.617 -2.008 308 HE ARG 22 HE ARG 22 2.292 -8.006 -1.904 309 1HH1 ARG 22 HH11 ARG 22 -0.492 -6.465 -2.915 310 2HH1 ARG 22 HH12 ARG 22 -0.432 -5.216 -1.826 311 1HH2 ARG 22 HH21 ARG 22 2.702 -6.132 -0.605 312 2HH2 ARG 22 HH22 ARG 22 1.562 -4.895 -0.615 313 H GLY 23 HN GLY 23 -1.263 -10.534 -3.218 314 1HA GLY 23 HA2 GLY 23 -3.307 -10.885 -4.455 315 2HA GLY 23 HA1 GLY 23 -3.946 -11.741 -3.062 316 H PHE 24 HN PHE 24 -2.442 -9.740 -1.336 317 HA PHE 24 HA PHE 24 -3.214 -8.084 0.003 318 1HB PHE 24 HB2 PHE 24 -2.839 -5.892 -1.089 319 2HB PHE 24 HB1 PHE 24 -1.610 -7.071 -1.363 320 HD1 PHE 24 HD1 PHE 24 -3.751 -4.772 -2.908 321 HD2 PHE 24 HD2 PHE 24 -1.758 -8.456 -3.596 322 HE1 PHE 24 HE1 PHE 24 -3.898 -4.413 -5.313 323 HE2 PHE 24 HE2 PHE 24 -1.928 -8.127 -6.001 324 HZ PHE 24 HZ PHE 24 -2.998 -6.090 -6.882 325 H PHE 25 HN PHE 25 -4.550 -5.688 -0.508 326 HA PHE 25 HA PHE 25 -7.198 -6.458 -1.400 327 1HB PHE 25 HB2 PHE 25 -6.874 -7.059 1.075 328 2HB PHE 25 HB1 PHE 25 -6.792 -5.328 1.386 329 HD1 PHE 25 HD1 PHE 25 -8.966 -7.315 -0.919 330 HD2 PHE 25 HD2 PHE 25 -8.751 -4.796 2.514 331 HE1 PHE 25 HE1 PHE 25 -11.412 -7.259 -0.811 332 HE2 PHE 25 HE2 PHE 25 -11.205 -4.746 2.627 333 HZ PHE 25 HZ PHE 25 -12.541 -5.977 0.964 334 H TYR 26 HN TYR 26 -6.019 -4.810 -2.908 335 HA TYR 26 HA TYR 26 -5.983 -2.074 -2.093 336 1HB TYR 26 HB2 TYR 26 -4.633 -2.730 -3.960 337 2HB TYR 26 HB1 TYR 26 -6.025 -3.394 -4.811 338 HD1 TYR 26 HD1 TYR 26 -5.626 -0.118 -3.064 339 HD2 TYR 26 HD2 TYR 26 -6.218 -2.121 -6.770 340 HE1 TYR 26 HE1 TYR 26 -5.952 2.030 -4.188 341 HE2 TYR 26 HE2 TYR 26 -6.513 0.040 -7.896 342 HH TYR 26 HH TYR 26 -6.042 2.372 -7.608 343 H THR 27 HN THR 27 -8.186 -2.264 -1.014 344 HA THR 27 HA THR 27 -10.279 -1.471 -2.942 345 HB THR 27 HB THR 27 -11.942 -2.599 -1.557 346 HG1 THR 27 HG1 THR 27 -9.688 -3.489 -0.058 347 1HG2 THR 27 HG21 THR 27 -10.949 -3.867 -3.412 348 2HG2 THR 27 HG22 THR 27 -11.449 -4.891 -2.067 349 3HG2 THR 27 HG23 THR 27 -9.742 -4.510 -2.297 350 H LYS 28 HN LYS 28 -11.602 0.176 -2.294 351 HA LYS 28 HA LYS 28 -11.147 1.397 0.334 352 1HB LYS 28 HB2 LYS 28 -11.443 3.336 -1.904 353 2HB LYS 28 HB1 LYS 28 -10.569 3.425 -0.410 354 1HG LYS 28 HG2 LYS 28 -8.817 3.316 -1.716 355 2HG LYS 28 HG1 LYS 28 -9.020 1.589 -1.590 356 1HD LYS 28 HD2 LYS 28 -10.438 3.110 -3.775 357 2HD LYS 28 HD1 LYS 28 -8.712 2.812 -3.896 358 1HE LYS 28 HE2 LYS 28 -9.492 0.356 -3.272 359 2HE LYS 28 HE1 LYS 28 -10.949 0.891 -4.071 360 1HZ LYS 28 HZ1 LYS 28 -8.835 1.654 -5.675 361 2HZ LYS 28 HZ2 LYS 28 -9.940 0.409 -5.942 362 3HZ LYS 28 HZ3 LYS 28 -8.494 0.080 -5.148 363 HA PRO 29 HA PRO 29 -15.461 2.746 -1.004 364 1HB PRO 29 HB2 PRO 29 -16.296 2.681 -3.544 365 2HB PRO 29 HB1 PRO 29 -15.170 3.915 -2.974 366 1HG PRO 29 HG2 PRO 29 -14.637 1.492 -4.613 367 2HG PRO 29 HG1 PRO 29 -13.882 3.092 -4.687 368 1HD PRO 29 HD2 PRO 29 -12.881 0.809 -3.410 369 2HD PRO 29 HD1 PRO 29 -12.285 2.454 -3.264 370 H THR 30 HN THR 30 -17.629 1.836 -1.537 371 HA THR 30 HA THR 30 -17.990 -0.754 -2.568 372 HB THR 30 HB THR 30 -18.641 -1.580 -0.033 373 HG1 THR 30 HG1 THR 30 -17.714 0.041 1.094 374 1HG2 THR 30 HG21 THR 30 -17.249 -3.218 -0.465 375 2HG2 THR 30 HG22 THR 30 -15.853 -2.150 -0.485 376 3HG2 THR 30 HG23 THR 30 -16.800 -2.389 -1.951 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -7.750 4.806 7.693 2 2H GLY 1 HT2 GLY 1 -8.287 6.351 7.262 3 3H GLY 1 HT3 GLY 1 -6.644 5.969 7.154 4 1HA GLY 1 HA1 GLY 1 -8.748 4.580 5.570 5 2HA GLY 1 HA2 GLY 1 -7.934 6.001 4.982 6 H ILE 2 HN ILE 2 -8.047 3.626 3.568 7 HA ILE 2 HA ILE 2 -5.404 2.337 3.921 8 HB ILE 2 HB ILE 2 -7.481 1.938 1.737 9 1HG1 ILE 2 HG12 ILE 2 -8.577 1.513 3.858 10 2HG1 ILE 2 HG11 ILE 2 -8.135 -0.062 3.189 11 1HG2 ILE 2 HG21 ILE 2 -5.927 0.567 0.914 12 2HG2 ILE 2 HG22 ILE 2 -6.064 -0.427 2.359 13 3HG2 ILE 2 HG23 ILE 2 -4.849 0.842 2.277 14 1HD1 ILE 2 HD11 ILE 2 -7.427 -0.214 5.396 15 2HD1 ILE 2 HD12 ILE 2 -6.857 1.446 5.449 16 3HD1 ILE 2 HD13 ILE 2 -5.934 0.224 4.575 17 H VAL 3 HN VAL 3 -7.087 4.389 1.550 18 HA VAL 3 HA VAL 3 -4.504 4.733 0.092 19 HB VAL 3 HB VAL 3 -7.277 5.706 -0.677 20 1HG1 VAL 3 HG11 VAL 3 -5.512 6.883 -1.836 21 2HG1 VAL 3 HG12 VAL 3 -6.193 5.713 -2.955 22 3HG1 VAL 3 HG13 VAL 3 -4.647 5.382 -2.169 23 1HG2 VAL 3 HG21 VAL 3 -7.255 3.730 -2.195 24 2HG2 VAL 3 HG22 VAL 3 -7.336 3.285 -0.498 25 3HG2 VAL 3 HG23 VAL 3 -5.815 3.141 -1.374 26 H GLU 4 HN GLU 4 -7.134 6.643 1.516 27 HA GLU 4 HA GLU 4 -6.041 9.212 1.137 28 1HB GLU 4 HB2 GLU 4 -7.517 8.351 3.655 29 2HB GLU 4 HB1 GLU 4 -7.463 9.961 2.914 30 1HG GLU 4 HG2 GLU 4 -8.567 8.928 0.866 31 2HG GLU 4 HG1 GLU 4 -8.815 7.472 1.844 32 H GLN 5 HN GLN 5 -4.946 6.648 3.208 33 HA GLN 5 HA GLN 5 -3.326 8.509 4.841 34 1HB GLN 5 HB2 GLN 5 -4.544 6.576 5.888 35 2HB GLN 5 HB1 GLN 5 -3.509 5.477 4.973 36 1HG GLN 5 HG2 GLN 5 -1.937 5.636 6.542 37 2HG GLN 5 HG1 GLN 5 -1.763 7.365 6.222 38 1HE2 GLN 5 HE21 GLN 5 -3.498 8.767 7.348 39 2HE2 GLN 5 HE22 GLN 5 -3.933 8.274 8.945 40 H CYS 6 HN CYS 6 -2.801 5.609 2.776 41 HA CYS 6 HA CYS 6 0.064 6.139 2.704 42 1HB CYS 6 HB2 CYS 6 -1.796 4.097 1.538 43 2HB CYS 6 HB1 CYS 6 -0.273 4.335 0.709 44 H CYS 7 HN CYS 7 -2.664 7.106 0.809 45 HA CYS 7 HA CYS 7 -1.019 7.839 -1.505 46 1HB CYS 7 HB2 CYS 7 -3.325 7.134 -1.898 47 2HB CYS 7 HB1 CYS 7 -3.934 8.444 -0.877 48 H THR 8 HN THR 8 -2.415 9.399 1.336 49 HA THR 8 HA THR 8 -2.339 12.077 0.671 50 HB THR 8 HB THR 8 -2.803 10.897 2.963 51 HG1 THR 8 HG1 THR 8 -1.513 13.437 2.867 52 1HG2 THR 8 HG21 THR 8 0.016 11.753 3.520 53 2HG2 THR 8 HG22 THR 8 -0.397 10.084 3.145 54 3HG2 THR 8 HG23 THR 8 -1.078 10.861 4.543 55 H SER 9 HN SER 9 0.443 10.093 1.690 56 HA SER 9 HA SER 9 2.237 12.073 0.370 57 1HB SER 9 HB2 SER 9 2.838 10.716 3.025 58 2HB SER 9 HB1 SER 9 3.791 11.966 2.208 59 HG SER 9 HG SER 9 2.530 12.919 3.803 60 H ILE 10 HN ILE 10 4.446 10.247 1.516 61 HA ILE 10 HA ILE 10 4.191 8.181 -0.623 62 HB ILE 10 HB ILE 10 6.820 8.067 0.083 63 1HG1 ILE 10 HG12 ILE 10 6.388 10.033 1.717 64 2HG1 ILE 10 HG11 ILE 10 7.693 10.238 0.550 65 1HG2 ILE 10 HG21 ILE 10 6.581 8.322 -2.077 66 2HG2 ILE 10 HG22 ILE 10 6.925 9.998 -1.828 67 3HG2 ILE 10 HG23 ILE 10 5.254 9.458 -2.017 68 1HD1 ILE 10 HD11 ILE 10 6.700 11.932 -0.478 69 2HD1 ILE 10 HD12 ILE 10 5.638 12.007 0.916 70 3HD1 ILE 10 HD13 ILE 10 5.117 11.168 -0.533 71 H CYS 11 HN CYS 11 3.536 6.266 0.196 72 HA CYS 11 HA CYS 11 4.049 5.628 3.019 73 1HB CYS 11 HB2 CYS 11 2.188 4.745 0.988 74 2HB CYS 11 HB1 CYS 11 3.031 3.324 1.624 75 H SER 12 HN SER 12 5.270 3.778 3.741 76 HA SER 12 HA SER 12 7.580 3.222 1.950 77 1HB SER 12 HB2 SER 12 7.256 2.384 4.851 78 2HB SER 12 HB1 SER 12 8.731 2.544 3.895 79 HG SER 12 HG SER 12 7.087 4.567 4.937 80 H LEU 13 HN LEU 13 7.963 1.226 1.115 81 HA LEU 13 HA LEU 13 5.970 -0.689 0.716 82 1HB LEU 13 HB2 LEU 13 8.986 -0.869 0.775 83 2HB LEU 13 HB1 LEU 13 8.026 -2.329 0.488 84 HG LEU 13 HG LEU 13 7.031 -1.455 -1.474 85 1HD1 LEU 13 HD11 LEU 13 8.206 1.229 -0.674 86 2HD1 LEU 13 HD12 LEU 13 6.484 0.809 -0.705 87 3HD1 LEU 13 HD13 LEU 13 7.395 0.892 -2.187 88 1HD2 LEU 13 HD21 LEU 13 9.373 -2.166 -1.769 89 2HD2 LEU 13 HD22 LEU 13 9.918 -0.523 -1.422 90 3HD2 LEU 13 HD23 LEU 13 8.961 -0.851 -2.868 91 H TYR 14 HN TYR 14 8.067 -0.298 3.450 92 HA TYR 14 HA TYR 14 7.489 -2.848 4.668 93 1HB TYR 14 HB2 TYR 14 8.038 -0.627 6.556 94 2HB TYR 14 HB1 TYR 14 8.887 -2.158 6.320 95 HD1 TYR 14 HD1 TYR 14 9.381 1.221 6.225 96 HD2 TYR 14 HD2 TYR 14 9.995 -2.264 3.789 97 HE1 TYR 14 HE1 TYR 14 11.202 2.391 5.016 98 HE2 TYR 14 HE2 TYR 14 11.818 -1.100 2.577 99 HH TYR 14 HH TYR 14 12.269 1.943 2.366 100 H GLN 15 HN GLN 15 6.071 0.400 4.851 101 HA GLN 15 HA GLN 15 4.077 -0.438 6.819 102 1HB GLN 15 HB2 GLN 15 4.564 2.050 5.162 103 2HB GLN 15 HB1 GLN 15 3.042 1.857 6.040 104 1HG GLN 15 HG2 GLN 15 5.564 1.308 7.568 105 2HG GLN 15 HG1 GLN 15 5.210 2.987 7.142 106 1HE2 GLN 15 HE21 GLN 15 2.770 3.589 7.589 107 2HE2 GLN 15 HE22 GLN 15 2.167 3.024 9.106 108 H LEU 16 HN LEU 16 4.468 -0.417 3.391 109 HA LEU 16 HA LEU 16 1.674 -0.653 2.743 110 1HB LEU 16 HB2 LEU 16 3.565 0.100 1.175 111 2HB LEU 16 HB1 LEU 16 4.051 -1.598 1.097 112 HG LEU 16 HG LEU 16 1.675 -2.126 0.386 113 1HD1 LEU 16 HD11 LEU 16 0.403 -0.243 -0.585 114 2HD1 LEU 16 HD12 LEU 16 1.598 0.877 0.071 115 3HD1 LEU 16 HD13 LEU 16 0.595 -0.079 1.148 116 1HD2 LEU 16 HD21 LEU 16 2.043 -1.378 -1.943 117 2HD2 LEU 16 HD22 LEU 16 3.494 -2.087 -1.228 118 3HD2 LEU 16 HD23 LEU 16 3.333 -0.333 -1.351 119 H GLU 17 HN GLU 17 4.268 -2.854 3.652 120 HA GLU 17 HA GLU 17 3.184 -5.284 2.725 121 1HB GLU 17 HB2 GLU 17 5.411 -4.994 3.864 122 2HB GLU 17 HB1 GLU 17 4.566 -4.860 5.410 123 1HG GLU 17 HG2 GLU 17 4.172 -7.072 5.547 124 2HG GLU 17 HG1 GLU 17 3.731 -7.216 3.839 125 H ASN 18 HN ASN 18 2.238 -3.233 5.413 126 HA ASN 18 HA ASN 18 0.483 -5.204 6.617 127 1HB ASN 18 HB2 ASN 18 1.522 -3.181 7.787 128 2HB ASN 18 HB1 ASN 18 0.339 -2.176 6.942 129 1HD2 ASN 18 HD21 ASN 18 -0.030 -1.978 9.538 130 2HD2 ASN 18 HD22 ASN 18 -1.300 -3.004 10.105 131 H TYR 19 HN TYR 19 0.271 -3.662 3.692 132 HA TYR 19 HA TYR 19 -2.647 -3.212 3.802 133 1HB TYR 19 HB2 TYR 19 -0.446 -2.464 1.897 134 2HB TYR 19 HB1 TYR 19 -2.110 -2.484 1.317 135 HD1 TYR 19 HD1 TYR 19 -1.415 -1.699 4.849 136 HD2 TYR 19 HD2 TYR 19 -1.945 -0.037 0.924 137 HE1 TYR 19 HE1 TYR 19 -1.715 0.495 5.851 138 HE2 TYR 19 HE2 TYR 19 -2.266 2.177 1.939 139 HH TYR 19 HH TYR 19 -3.116 2.907 4.659 140 H CYS 20 HN CYS 20 -0.307 -5.536 2.771 141 HA CYS 20 HA CYS 20 -2.086 -6.734 0.797 142 1HB CYS 20 HB2 CYS 20 -0.362 -8.341 0.469 143 2HB CYS 20 HB1 CYS 20 0.438 -6.777 0.660 144 H ASN 21 HN ASN 21 -3.057 -8.858 1.045 145 HA ASN 21 HA ASN 21 -4.277 -9.321 3.572 146 1HB ASN 21 HB2 ASN 21 -4.008 -10.994 1.062 147 2HB ASN 21 HB1 ASN 21 -4.838 -11.631 2.469 148 1HD2 ASN 21 HD21 ASN 21 -6.805 -11.636 1.146 149 2HD2 ASN 21 HD22 ASN 21 -7.654 -10.149 0.920 150 1H PHE 1 HT1 PHE 1 14.113 2.750 -6.933 151 2H PHE 1 HT2 PHE 1 13.406 1.219 -6.636 152 3H PHE 1 HT3 PHE 1 14.224 2.047 -5.371 153 HA PHE 1 HA PHE 1 11.772 2.937 -6.753 154 1HB PHE 1 HB2 PHE 1 12.233 1.119 -4.520 155 2HB PHE 1 HB1 PHE 1 11.359 2.544 -3.944 156 HD1 PHE 1 HD1 PHE 1 10.795 -0.627 -5.065 157 HD2 PHE 1 HD2 PHE 1 9.594 3.413 -5.910 158 HE1 PHE 1 HE1 PHE 1 8.682 -1.461 -6.071 159 HE2 PHE 1 HE2 PHE 1 7.496 2.574 -6.917 160 HZ PHE 1 HZ PHE 1 7.029 0.142 -6.993 161 H VAL 2 HN VAL 2 11.011 4.986 -6.072 162 HA VAL 2 HA VAL 2 12.934 6.535 -4.359 163 HB VAL 2 HB VAL 2 12.815 8.342 -5.790 164 1HG1 VAL 2 HG11 VAL 2 13.103 7.566 -8.037 165 2HG1 VAL 2 HG12 VAL 2 12.148 6.117 -7.743 166 3HG1 VAL 2 HG13 VAL 2 13.730 6.308 -6.979 167 1HG2 VAL 2 HG21 VAL 2 10.898 8.462 -7.553 168 2HG2 VAL 2 HG22 VAL 2 10.518 8.879 -5.905 169 3HG2 VAL 2 HG23 VAL 2 10.074 7.290 -6.536 170 H ASN 3 HN ASN 3 11.440 8.797 -4.021 171 HA ASN 3 HA ASN 3 9.452 7.853 -2.105 172 1HB ASN 3 HB2 ASN 3 9.088 10.344 -1.739 173 2HB ASN 3 HB1 ASN 3 10.750 9.795 -1.504 174 1HD2 ASN 3 HD21 ASN 3 9.173 12.326 -2.777 175 2HD2 ASN 3 HD22 ASN 3 10.236 12.696 -4.088 176 H GLN 4 HN GLN 4 8.122 6.754 -3.810 177 HA GLN 4 HA GLN 4 6.531 8.617 -5.500 178 1HB GLN 4 HB2 GLN 4 6.628 6.893 -6.929 179 2HB GLN 4 HB1 GLN 4 7.368 5.845 -5.718 180 1HG GLN 4 HG2 GLN 4 5.233 5.100 -4.910 181 2HG GLN 4 HG1 GLN 4 4.387 6.348 -5.843 182 1HE2 GLN 4 HE21 GLN 4 4.342 6.174 -8.181 183 2HE2 GLN 4 HE22 GLN 4 4.544 4.617 -8.900 184 H ALA 5 HN ALA 5 4.222 8.692 -5.312 185 HA ALA 5 HA ALA 5 3.264 8.501 -2.572 186 1HB ALA 5 HB1 ALA 5 1.679 8.923 -5.125 187 2HB ALA 5 HB2 ALA 5 2.440 10.200 -4.179 188 3HB ALA 5 HB3 ALA 5 1.128 9.256 -3.481 189 H LEU 6 HN LEU 6 0.822 7.365 -2.537 190 HA LEU 6 HA LEU 6 1.083 4.660 -3.767 191 1HB LEU 6 HB2 LEU 6 1.304 5.376 -0.938 192 2HB LEU 6 HB1 LEU 6 -0.023 4.271 -1.192 193 HG LEU 6 HG LEU 6 2.250 3.204 -0.736 194 1HD1 LEU 6 HD11 LEU 6 0.723 1.722 -1.597 195 2HD1 LEU 6 HD12 LEU 6 1.937 1.631 -2.818 196 3HD1 LEU 6 HD13 LEU 6 0.489 2.583 -3.091 197 1HD2 LEU 6 HD21 LEU 6 2.813 3.900 -3.632 198 2HD2 LEU 6 HD22 LEU 6 3.860 3.163 -2.447 199 3HD2 LEU 6 HD23 LEU 6 3.446 4.850 -2.273 200 H CYS 7 HN CYS 7 -0.536 5.843 -5.182 201 HA CYS 7 HA CYS 7 -3.261 5.434 -3.980 202 1HB CYS 7 HB2 CYS 7 -2.909 7.390 -6.230 203 2HB CYS 7 HB1 CYS 7 -4.041 7.409 -4.871 204 H GLY 8 HN GLY 8 -4.835 4.549 -5.421 205 1HA GLY 8 HA2 GLY 8 -5.579 3.235 -7.207 206 2HA GLY 8 HA1 GLY 8 -4.364 4.037 -8.200 207 H SER 9 HN SER 9 -4.103 1.891 -9.205 208 HA SER 9 HA SER 9 -3.372 -0.445 -7.970 209 1HB SER 9 HB2 SER 9 -2.959 0.709 -10.619 210 2HB SER 9 HB1 SER 9 -1.668 -0.414 -10.188 211 HG SER 9 HG SER 9 -4.429 -0.900 -10.427 212 H ASP 10 HN ASP 10 -1.508 2.466 -8.130 213 HA ASP 10 HA ASP 10 1.105 1.522 -7.875 214 1HB ASP 10 HB2 ASP 10 0.141 3.765 -6.085 215 2HB ASP 10 HB1 ASP 10 1.672 3.612 -6.962 216 H LEU 11 HN LEU 11 -1.574 1.261 -5.655 217 HA LEU 11 HA LEU 11 0.060 0.520 -3.364 218 1HB LEU 11 HB2 LEU 11 -2.885 0.365 -3.999 219 2HB LEU 11 HB1 LEU 11 -2.244 -0.255 -2.485 220 HG LEU 11 HG LEU 11 -1.518 2.562 -3.253 221 1HD1 LEU 11 HD11 LEU 11 -4.167 1.734 -2.043 222 2HD1 LEU 11 HD12 LEU 11 -3.939 2.427 -3.651 223 3HD1 LEU 11 HD13 LEU 11 -3.569 3.386 -2.220 224 1HD2 LEU 11 HD21 LEU 11 -1.086 2.753 -1.004 225 2HD2 LEU 11 HD22 LEU 11 -0.877 1.024 -1.138 226 3HD2 LEU 11 HD23 LEU 11 -2.376 1.666 -0.539 227 H VAL 12 HN VAL 12 -2.281 -1.246 -5.341 228 HA VAL 12 HA VAL 12 -1.458 -3.836 -4.472 229 HB VAL 12 HB VAL 12 -2.518 -4.648 -6.599 230 1HG1 VAL 12 HG11 VAL 12 -3.834 -4.234 -4.531 231 2HG1 VAL 12 HG12 VAL 12 -4.769 -3.926 -5.991 232 3HG1 VAL 12 HG13 VAL 12 -4.113 -2.577 -5.064 233 1HG2 VAL 12 HG21 VAL 12 -3.596 -3.011 -8.034 234 2HG2 VAL 12 HG22 VAL 12 -1.875 -2.679 -7.993 235 3HG2 VAL 12 HG23 VAL 12 -2.985 -1.715 -7.040 236 H GLU 13 HN GLU 13 -0.163 -1.634 -6.871 237 HA GLU 13 HA GLU 13 1.537 -3.576 -8.172 238 1HB GLU 13 HB2 GLU 13 0.890 -1.492 -9.294 239 2HB GLU 13 HB1 GLU 13 1.709 -0.546 -8.045 240 1HG GLU 13 HG2 GLU 13 3.842 -1.218 -8.719 241 2HG GLU 13 HG1 GLU 13 3.235 -2.633 -9.597 242 H ALA 14 HN ALA 14 1.889 -1.210 -5.543 243 HA ALA 14 HA ALA 14 4.711 -1.877 -5.097 244 1HB ALA 14 HB1 ALA 14 2.682 -0.337 -3.454 245 2HB ALA 14 HB2 ALA 14 3.966 0.313 -4.443 246 3HB ALA 14 HB3 ALA 14 4.378 -0.555 -2.980 247 H LEU 15 HN LEU 15 1.555 -2.816 -3.933 248 HA LEU 15 HA LEU 15 2.468 -4.465 -1.770 249 1HB LEU 15 HB2 LEU 15 -0.086 -4.311 -3.307 250 2HB LEU 15 HB1 LEU 15 0.130 -5.427 -1.973 251 HG LEU 15 HG LEU 15 0.938 -2.712 -1.320 252 1HD1 LEU 15 HD11 LEU 15 -1.870 -2.694 -1.069 253 2HD1 LEU 15 HD12 LEU 15 -1.497 -2.967 -2.734 254 3HD1 LEU 15 HD13 LEU 15 -0.843 -1.563 -1.894 255 1HD2 LEU 15 HD21 LEU 15 0.674 -4.734 0.201 256 2HD2 LEU 15 HD22 LEU 15 -1.063 -4.485 0.020 257 3HD2 LEU 15 HD23 LEU 15 -0.049 -3.248 0.708 258 H TYR 16 HN TYR 16 1.620 -4.861 -5.120 259 HA TYR 16 HA TYR 16 1.709 -7.646 -5.397 260 1HB TYR 16 HB2 TYR 16 2.068 -5.280 -7.159 261 2HB TYR 16 HB1 TYR 16 2.922 -6.693 -7.718 262 HD1 TYR 16 HD1 TYR 16 -0.016 -5.053 -8.133 263 HD2 TYR 16 HD2 TYR 16 1.495 -8.975 -7.294 264 HE1 TYR 16 HE1 TYR 16 -2.100 -6.014 -9.022 265 HE2 TYR 16 HE2 TYR 16 -0.590 -9.968 -8.221 266 HH TYR 16 HH TYR 16 -3.307 -8.656 -8.510 267 H LEU 17 HN LEU 17 4.189 -5.276 -4.939 268 HA LEU 17 HA LEU 17 6.278 -7.198 -5.683 269 1HB LEU 17 HB2 LEU 17 5.994 -4.305 -5.556 270 2HB LEU 17 HB1 LEU 17 7.399 -4.818 -4.618 271 HG LEU 17 HG LEU 17 8.185 -6.173 -6.564 272 1HD1 LEU 17 HD11 LEU 17 7.096 -5.704 -8.762 273 2HD1 LEU 17 HD12 LEU 17 5.808 -4.851 -7.915 274 3HD1 LEU 17 HD13 LEU 17 6.040 -6.580 -7.665 275 1HD2 LEU 17 HD21 LEU 17 7.656 -3.242 -7.151 276 2HD2 LEU 17 HD22 LEU 17 8.886 -4.249 -7.918 277 3HD2 LEU 17 HD23 LEU 17 9.002 -3.875 -6.201 278 H VAL 18 HN VAL 18 4.775 -5.976 -2.805 279 HA VAL 18 HA VAL 18 6.998 -7.041 -1.144 280 HB VAL 18 HB VAL 18 5.576 -6.135 0.776 281 1HG1 VAL 18 HG11 VAL 18 6.246 -3.814 0.326 282 2HG1 VAL 18 HG12 VAL 18 6.480 -4.200 -1.381 283 3HG1 VAL 18 HG13 VAL 18 7.516 -4.937 -0.157 284 1HG2 VAL 18 HG21 VAL 18 3.865 -4.507 0.198 285 2HG2 VAL 18 HG22 VAL 18 3.416 -6.057 -0.464 286 3HG2 VAL 18 HG23 VAL 18 4.109 -4.830 -1.490 287 H CYS 19 HN CYS 19 3.458 -7.558 -1.578 288 HA CYS 19 HA CYS 19 3.825 -10.166 -0.168 289 1HB CYS 19 HB2 CYS 19 1.687 -8.161 -0.270 290 2HB CYS 19 HB1 CYS 19 1.078 -9.797 -0.447 291 H GLY 20 HN GLY 20 1.973 -8.757 -2.867 292 1HA GLY 20 HA2 GLY 20 1.334 -9.706 -4.902 293 2HA GLY 20 HA1 GLY 20 2.863 -10.578 -4.829 294 H GLU 21 HN GLU 21 2.880 -12.662 -3.768 295 HA GLU 21 HA GLU 21 0.605 -14.282 -4.390 296 1HB GLU 21 HB2 GLU 21 2.806 -14.920 -2.389 297 2HB GLU 21 HB1 GLU 21 1.784 -16.080 -3.251 298 1HG GLU 21 HG2 GLU 21 2.927 -15.898 -5.190 299 2HG GLU 21 HG1 GLU 21 3.297 -14.188 -4.996 300 H ARG 22 HN ARG 22 1.129 -12.156 -1.759 301 HA ARG 22 HA ARG 22 -0.734 -13.643 -0.006 302 1HB ARG 22 HB2 ARG 22 1.221 -11.462 0.335 303 2HB ARG 22 HB1 ARG 22 -0.087 -11.516 1.505 304 1HG ARG 22 HG2 ARG 22 0.629 -13.541 2.366 305 2HG ARG 22 HG1 ARG 22 1.453 -14.022 0.872 306 1HD ARG 22 HD2 ARG 22 2.912 -11.844 1.479 307 2HD ARG 22 HD1 ARG 22 2.420 -12.316 3.112 308 HE ARG 22 HE ARG 22 3.146 -14.555 2.314 309 1HH1 ARG 22 HH21 ARG 22 4.238 -13.425 4.439 310 2HH1 ARG 22 HH22 ARG 22 5.922 -13.133 4.153 311 1HH2 ARG 22 HH11 ARG 22 5.664 -13.420 0.700 312 2HH2 ARG 22 HH12 ARG 22 6.729 -13.129 2.035 313 H GLY 23 HN GLY 23 -1.535 -12.236 -2.563 314 1HA GLY 23 HA2 GLY 23 -3.120 -10.695 -3.312 315 2HA GLY 23 HA1 GLY 23 -4.044 -11.362 -1.970 316 H PHE 24 HN PHE 24 -4.943 -9.050 -2.074 317 HA PHE 24 HA PHE 24 -3.470 -7.422 -0.091 318 1HB PHE 24 HB2 PHE 24 -4.651 -5.812 -2.275 319 2HB PHE 24 HB1 PHE 24 -3.151 -5.576 -1.370 320 HD1 PHE 24 HD1 PHE 24 -4.564 -6.613 -4.461 321 HD2 PHE 24 HD2 PHE 24 -1.197 -7.214 -1.857 322 HE1 PHE 24 HE1 PHE 24 -3.251 -7.508 -6.366 323 HE2 PHE 24 HE2 PHE 24 0.108 -8.125 -3.759 324 HZ PHE 24 HZ PHE 24 -0.932 -8.264 -5.976 325 H PHE 25 HN PHE 25 -4.895 -5.460 0.546 326 HA PHE 25 HA PHE 25 -7.791 -6.091 0.338 327 1HB PHE 25 HB2 PHE 25 -6.508 -7.025 2.528 328 2HB PHE 25 HB1 PHE 25 -6.759 -5.385 3.085 329 HD1 PHE 25 HD1 PHE 25 -8.073 -8.311 3.726 330 HD2 PHE 25 HD2 PHE 25 -9.356 -4.690 1.801 331 HE1 PHE 25 HE1 PHE 25 -10.439 -8.831 4.272 332 HE2 PHE 25 HE2 PHE 25 -11.683 -5.198 2.343 333 HZ PHE 25 HZ PHE 25 -12.243 -7.274 3.582 334 H TYR 26 HN TYR 26 -6.409 -4.024 -0.937 335 HA TYR 26 HA TYR 26 -6.731 -1.612 0.725 336 1HB TYR 26 HB2 TYR 26 -5.138 -0.811 -0.634 337 2HB TYR 26 HB1 TYR 26 -5.147 -2.322 -1.542 338 HD1 TYR 26 HD1 TYR 26 -6.972 0.935 -1.235 339 HD2 TYR 26 HD2 TYR 26 -5.804 -2.316 -3.785 340 HE1 TYR 26 HE1 TYR 26 -7.906 2.135 -3.199 341 HE2 TYR 26 HE2 TYR 26 -6.726 -1.113 -5.750 342 HH TYR 26 HH TYR 26 -8.794 0.978 -5.849 343 H THR 27 HN THR 27 -8.815 -0.945 1.007 344 HA THR 27 HA THR 27 -10.690 -1.178 -1.323 345 HB THR 27 HB THR 27 -12.481 -1.160 0.265 346 HG1 THR 27 HG1 THR 27 -12.214 -0.467 2.327 347 1HG2 THR 27 HG21 THR 27 -11.061 -3.266 0.116 348 2HG2 THR 27 HG22 THR 27 -12.018 -3.085 1.584 349 3HG2 THR 27 HG23 THR 27 -10.294 -2.739 1.617 350 H LYS 28 HN LYS 28 -12.536 0.736 -0.740 351 HA LYS 28 HA LYS 28 -12.946 2.995 -0.854 352 1HB LYS 28 HB2 LYS 28 -11.742 3.034 1.328 353 2HB LYS 28 HB1 LYS 28 -10.236 3.321 0.471 354 1HG LYS 28 HG2 LYS 28 -10.804 5.463 0.949 355 2HG LYS 28 HG1 LYS 28 -11.537 5.328 -0.645 356 1HD LYS 28 HD2 LYS 28 -13.634 5.485 0.157 357 2HD LYS 28 HD1 LYS 28 -13.318 4.421 1.533 358 1HE LYS 28 HE2 LYS 28 -11.999 6.382 2.537 359 2HE LYS 28 HE1 LYS 28 -12.771 7.372 1.282 360 1HZ LYS 28 HZ1 LYS 28 -14.034 7.393 3.346 361 2HZ LYS 28 HZ2 LYS 28 -14.197 5.712 3.301 362 3HZ LYS 28 HZ3 LYS 28 -14.934 6.668 2.111 363 HA PRO 29 HA PRO 29 -10.484 3.465 -4.672 364 1HB PRO 29 HB2 PRO 29 -12.473 4.774 -6.045 365 2HB PRO 29 HB1 PRO 29 -12.379 3.026 -5.875 366 1HG PRO 29 HG2 PRO 29 -14.203 4.950 -4.487 367 2HG PRO 29 HG1 PRO 29 -14.476 3.249 -4.901 368 1HD PRO 29 HD2 PRO 29 -13.770 4.249 -2.350 369 2HD PRO 29 HD1 PRO 29 -13.718 2.548 -2.854 370 H THR 30 HN THR 30 -10.548 5.716 -6.172 371 HA THR 30 HA THR 30 -9.619 7.854 -6.175 372 HB THR 30 HB THR 30 -10.920 9.424 -4.469 373 HG1 THR 30 HG1 THR 30 -11.779 7.949 -3.083 374 1HG2 THR 30 HG21 THR 30 -12.378 7.878 -6.622 375 2HG2 THR 30 HG22 THR 30 -11.368 9.304 -6.880 376 3HG2 THR 30 HG23 THR 30 -12.856 9.435 -5.946 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -0.658 0.886 -1.741 2 2H GLY 1 HT2 GLY 1 -1.047 -0.044 -0.460 3 3H GLY 1 HT3 GLY 1 -0.889 1.637 -0.265 4 1HA GLY 1 HA1 GLY 1 -2.686 1.153 -2.322 5 2HA GLY 1 HA2 GLY 1 -3.152 0.092 -1.071 6 H ILE 2 HN ILE 2 -5.081 1.151 -0.541 7 HA ILE 2 HA ILE 2 -6.469 2.861 -0.111 8 HB ILE 2 HB ILE 2 -6.722 3.038 2.050 9 1HG1 ILE 2 HG12 ILE 2 -5.053 4.898 2.226 10 2HG1 ILE 2 HG11 ILE 2 -5.284 3.949 3.653 11 1HG2 ILE 2 HG21 ILE 2 -5.738 0.761 1.624 12 2HG2 ILE 2 HG22 ILE 2 -5.814 1.330 3.275 13 3HG2 ILE 2 HG23 ILE 2 -4.317 1.352 2.441 14 1HD1 ILE 2 HD11 ILE 2 -3.241 2.730 3.235 15 2HD1 ILE 2 HD12 ILE 2 -2.956 4.432 3.365 16 3HD1 ILE 2 HD13 ILE 2 -2.966 3.693 1.792 17 H VAL 3 HN VAL 3 -5.953 3.953 -1.786 18 HA VAL 3 HA VAL 3 -4.136 5.853 -2.391 19 HB VAL 3 HB VAL 3 -6.287 6.998 -3.559 20 1HG1 VAL 3 HG11 VAL 3 -5.515 4.318 -4.577 21 2HG1 VAL 3 HG12 VAL 3 -4.296 5.601 -4.505 22 3HG1 VAL 3 HG13 VAL 3 -5.777 5.821 -5.413 23 1HG2 VAL 3 HG21 VAL 3 -7.750 5.397 -2.099 24 2HG2 VAL 3 HG22 VAL 3 -7.276 4.176 -3.268 25 3HG2 VAL 3 HG23 VAL 3 -8.120 5.622 -3.796 26 H GLU 4 HN GLU 4 -7.278 6.679 -0.970 27 HA GLU 4 HA GLU 4 -7.085 9.335 -0.684 28 1HB GLU 4 HB2 GLU 4 -8.015 7.542 1.571 29 2HB GLU 4 HB1 GLU 4 -8.500 9.209 1.264 30 1HG GLU 4 HG2 GLU 4 -9.371 8.286 -0.997 31 2HG GLU 4 HG1 GLU 4 -9.240 6.711 -0.212 32 H GLN 5 HN GLN 5 -5.304 6.940 1.194 33 HA GLN 5 HA GLN 5 -4.136 9.011 2.883 34 1HB GLN 5 HB2 GLN 5 -3.641 6.084 2.820 35 2HB GLN 5 HB1 GLN 5 -3.065 7.181 4.022 36 1HG GLN 5 HG2 GLN 5 -5.667 7.701 4.211 37 2HG GLN 5 HG1 GLN 5 -5.792 6.059 3.636 38 1HE2 GLN 5 HE21 GLN 5 -6.788 5.661 5.726 39 2HE2 GLN 5 HE22 GLN 5 -5.773 5.408 7.100 40 H CYS 6 HN CYS 6 -2.664 6.278 1.111 41 HA CYS 6 HA CYS 6 -0.128 7.343 0.984 42 1HB CYS 6 HB2 CYS 6 -1.608 5.254 -0.542 43 2HB CYS 6 HB1 CYS 6 -0.098 5.808 -1.242 44 H CYS 7 HN CYS 7 -2.770 7.765 -1.299 45 HA CYS 7 HA CYS 7 -1.288 9.108 -3.273 46 1HB CYS 7 HB2 CYS 7 -3.561 8.157 -3.640 47 2HB CYS 7 HB1 CYS 7 -4.228 9.433 -2.630 48 H THR 8 HN THR 8 0.058 10.461 -1.922 49 HA THR 8 HA THR 8 -0.727 13.156 -1.967 50 HB THR 8 HB THR 8 -2.075 12.207 0.062 51 HG1 THR 8 HG1 THR 8 -2.027 14.362 -0.178 52 1HG2 THR 8 HG21 THR 8 0.531 12.621 1.483 53 2HG2 THR 8 HG22 THR 8 -0.156 11.031 1.121 54 3HG2 THR 8 HG23 THR 8 -1.022 12.152 2.150 55 H SER 9 HN SER 9 1.254 10.822 -0.152 56 HA SER 9 HA SER 9 3.619 12.517 -0.657 57 1HB SER 9 HB2 SER 9 4.346 11.000 1.513 58 2HB SER 9 HB1 SER 9 3.683 12.623 1.593 59 HG SER 9 HG SER 9 2.627 11.038 2.935 60 H ILE 10 HN ILE 10 5.579 10.799 -0.007 61 HA ILE 10 HA ILE 10 5.363 8.808 -2.144 62 HB ILE 10 HB ILE 10 7.966 8.590 -1.145 63 1HG1 ILE 10 HG12 ILE 10 7.569 10.665 0.209 64 2HG1 ILE 10 HG11 ILE 10 8.859 10.803 -0.973 65 1HG2 ILE 10 HG21 ILE 10 6.666 9.690 -3.500 66 2HG2 ILE 10 HG22 ILE 10 7.927 8.517 -3.346 67 3HG2 ILE 10 HG23 ILE 10 8.297 10.211 -3.242 68 1HD1 ILE 10 HD11 ILE 10 6.708 12.520 -0.638 69 2HD1 ILE 10 HD12 ILE 10 6.364 11.674 -2.145 70 3HD1 ILE 10 HD13 ILE 10 7.890 12.522 -1.935 71 H CYS 11 HN CYS 11 4.019 7.348 -1.089 72 HA CYS 11 HA CYS 11 4.526 6.283 1.453 73 1HB CYS 11 HB2 CYS 11 2.797 5.596 -0.832 74 2HB CYS 11 HB1 CYS 11 3.269 4.202 0.128 75 H SER 12 HN SER 12 6.006 4.930 2.202 76 HA SER 12 HA SER 12 7.955 3.778 0.398 77 1HB SER 12 HB2 SER 12 7.655 3.605 3.407 78 2HB SER 12 HB1 SER 12 9.019 2.953 2.495 79 HG SER 12 HG SER 12 9.644 4.988 1.964 80 H LEU 13 HN LEU 13 8.068 1.706 -0.238 81 HA LEU 13 HA LEU 13 5.944 0.018 -0.422 82 1HB LEU 13 HB2 LEU 13 8.883 -0.503 -0.344 83 2HB LEU 13 HB1 LEU 13 7.768 -1.854 -0.487 84 HG LEU 13 HG LEU 13 6.960 -1.113 -2.563 85 1HD1 LEU 13 HD11 LEU 13 8.415 1.472 -2.172 86 2HD1 LEU 13 HD12 LEU 13 6.666 1.245 -2.042 87 3HD1 LEU 13 HD13 LEU 13 7.462 0.992 -3.552 88 1HD2 LEU 13 HD21 LEU 13 9.175 -2.155 -2.662 89 2HD2 LEU 13 HD22 LEU 13 9.913 -0.557 -2.529 90 3HD2 LEU 13 HD23 LEU 13 8.948 -0.971 -3.948 91 H TYR 14 HN TYR 14 8.181 0.285 2.250 92 HA TYR 14 HA TYR 14 7.575 -1.970 3.704 93 1HB TYR 14 HB2 TYR 14 9.316 -0.458 4.411 94 2HB TYR 14 HB1 TYR 14 8.159 0.847 4.637 95 HD1 TYR 14 HD1 TYR 14 6.819 0.989 6.633 96 HD2 TYR 14 HD2 TYR 14 9.404 -2.339 6.011 97 HE1 TYR 14 HE1 TYR 14 6.535 0.336 8.983 98 HE2 TYR 14 HE2 TYR 14 9.125 -3.000 8.360 99 HH TYR 14 HH TYR 14 6.959 -2.398 10.200 100 H GLN 15 HN GLN 15 5.768 1.025 3.361 101 HA GLN 15 HA GLN 15 3.726 0.236 5.253 102 1HB GLN 15 HB2 GLN 15 3.935 2.550 3.320 103 2HB GLN 15 HB1 GLN 15 2.588 2.316 4.419 104 1HG GLN 15 HG2 GLN 15 5.048 2.187 5.908 105 2HG GLN 15 HG1 GLN 15 5.066 3.613 4.872 106 1HE2 GLN 15 HE21 GLN 15 5.052 4.778 6.919 107 2HE2 GLN 15 HE22 GLN 15 3.536 5.056 7.698 108 H LEU 16 HN LEU 16 4.318 0.166 1.829 109 HA LEU 16 HA LEU 16 1.659 -0.436 1.028 110 1HB LEU 16 HB2 LEU 16 3.973 0.286 -0.256 111 2HB LEU 16 HB1 LEU 16 3.886 -1.417 -0.657 112 HG LEU 16 HG LEU 16 1.478 -0.903 -1.417 113 1HD1 LEU 16 HD11 LEU 16 1.114 1.409 -2.114 114 2HD1 LEU 16 HD12 LEU 16 2.599 1.888 -1.323 115 3HD1 LEU 16 HD13 LEU 16 1.252 1.269 -0.371 116 1HD2 LEU 16 HD21 LEU 16 2.231 -0.282 -3.607 117 2HD2 LEU 16 HD22 LEU 16 3.403 -1.376 -2.878 118 3HD2 LEU 16 HD23 LEU 16 3.749 0.346 -2.956 119 H GLU 17 HN GLU 17 4.249 -2.262 2.418 120 HA GLU 17 HA GLU 17 3.375 -4.807 1.465 121 1HB GLU 17 HB2 GLU 17 5.733 -4.221 2.169 122 2HB GLU 17 HB1 GLU 17 5.165 -4.246 3.826 123 1HG GLU 17 HG2 GLU 17 6.052 -6.344 3.575 124 2HG GLU 17 HG1 GLU 17 4.348 -6.649 3.300 125 H ASN 18 HN ASN 18 2.286 -2.658 3.854 126 HA ASN 18 HA ASN 18 1.368 -4.541 5.786 127 1HB ASN 18 HB2 ASN 18 1.799 -2.161 6.300 128 2HB ASN 18 HB1 ASN 18 0.451 -1.702 5.266 129 1HD2 ASN 18 HD21 ASN 18 1.402 -2.799 8.366 130 2HD2 ASN 18 HD22 ASN 18 -0.182 -2.908 9.044 131 H TYR 19 HN TYR 19 0.362 -4.008 2.646 132 HA TYR 19 HA TYR 19 -2.480 -4.442 3.144 133 1HB TYR 19 HB2 TYR 19 -0.899 -4.060 0.611 134 2HB TYR 19 HB1 TYR 19 -2.637 -4.280 0.664 135 HD1 TYR 19 HD1 TYR 19 -3.954 -2.392 0.673 136 HD2 TYR 19 HD2 TYR 19 0.025 -2.040 2.081 137 HE1 TYR 19 HE1 TYR 19 -4.226 -0.007 0.840 138 HE2 TYR 19 HE2 TYR 19 -0.252 0.378 2.280 139 HH TYR 19 HH TYR 19 -1.541 2.135 1.606 140 H CYS 20 HN CYS 20 0.351 -6.001 1.787 141 HA CYS 20 HA CYS 20 -0.516 -8.163 0.484 142 1HB CYS 20 HB2 CYS 20 1.590 -8.400 2.626 143 2HB CYS 20 HB1 CYS 20 1.439 -9.338 1.166 144 H ASN 21 HN ASN 21 -2.280 -9.355 0.904 145 HA ASN 21 HA ASN 21 -2.528 -10.539 3.611 146 1HB ASN 21 HB2 ASN 21 -4.906 -10.514 3.376 147 2HB ASN 21 HB1 ASN 21 -4.311 -8.894 3.043 148 1HD2 ASN 21 HD21 ASN 21 -6.116 -11.517 1.870 149 2HD2 ASN 21 HD22 ASN 21 -6.411 -10.887 0.289 150 1H PHE 1 HT1 PHE 1 11.654 5.158 -2.660 151 2H PHE 1 HT2 PHE 1 11.234 3.512 -2.818 152 3H PHE 1 HT3 PHE 1 10.444 4.688 -3.766 153 HA PHE 1 HA PHE 1 13.295 3.958 -3.805 154 1HB PHE 1 HB2 PHE 1 12.569 3.275 -6.241 155 2HB PHE 1 HB1 PHE 1 12.306 2.187 -4.887 156 HD1 PHE 1 HD1 PHE 1 10.282 1.103 -4.903 157 HD2 PHE 1 HD2 PHE 1 10.493 5.016 -6.505 158 HE1 PHE 1 HE1 PHE 1 7.896 1.006 -5.483 159 HE2 PHE 1 HE2 PHE 1 8.115 4.957 -7.062 160 HZ PHE 1 HZ PHE 1 6.804 2.934 -6.550 161 H VAL 2 HN VAL 2 10.821 6.245 -4.622 162 HA VAL 2 HA VAL 2 12.806 8.096 -5.607 163 HB VAL 2 HB VAL 2 11.742 8.549 -7.734 164 1HG1 VAL 2 HG11 VAL 2 12.334 6.608 -8.950 165 2HG1 VAL 2 HG12 VAL 2 12.192 5.582 -7.540 166 3HG1 VAL 2 HG13 VAL 2 13.471 6.797 -7.630 167 1HG2 VAL 2 HG21 VAL 2 9.531 8.168 -7.760 168 2HG2 VAL 2 HG22 VAL 2 9.616 6.809 -6.667 169 3HG2 VAL 2 HG23 VAL 2 9.983 6.583 -8.366 170 H ASN 3 HN ASN 3 11.138 10.027 -6.673 171 HA ASN 3 HA ASN 3 9.708 10.872 -4.287 172 1HB ASN 3 HB2 ASN 3 11.335 12.346 -5.536 173 2HB ASN 3 HB1 ASN 3 10.146 12.446 -6.829 174 1HD2 ASN 3 HD21 ASN 3 8.762 14.097 -6.707 175 2HD2 ASN 3 HD22 ASN 3 8.388 14.977 -5.269 176 H GLN 4 HN GLN 4 8.367 8.803 -5.308 177 HA GLN 4 HA GLN 4 6.439 9.491 -7.276 178 1HB GLN 4 HB2 GLN 4 5.508 7.334 -6.844 179 2HB GLN 4 HB1 GLN 4 7.252 7.199 -6.813 180 1HG GLN 4 HG2 GLN 4 6.121 7.687 -4.148 181 2HG GLN 4 HG1 GLN 4 5.509 6.281 -4.939 182 1HE2 GLN 4 HE21 GLN 4 6.472 4.572 -4.085 183 2HE2 GLN 4 HE22 GLN 4 8.180 4.419 -3.890 184 H ALA 5 HN ALA 5 4.133 8.292 -5.924 185 HA ALA 5 HA ALA 5 3.433 10.100 -3.774 186 1HB ALA 5 HB1 ALA 5 1.951 10.167 -6.392 187 2HB ALA 5 HB2 ALA 5 2.995 11.437 -5.757 188 3HB ALA 5 HB3 ALA 5 1.502 11.028 -4.915 189 H LEU 6 HN LEU 6 2.245 7.786 -6.169 190 HA LEU 6 HA LEU 6 1.199 5.812 -5.923 191 1HB LEU 6 HB2 LEU 6 1.528 6.462 -3.043 192 2HB LEU 6 HB1 LEU 6 0.250 5.390 -3.441 193 HG LEU 6 HG LEU 6 2.479 4.363 -2.824 194 1HD1 LEU 6 HD11 LEU 6 1.410 2.655 -3.731 195 2HD1 LEU 6 HD12 LEU 6 2.245 2.989 -5.223 196 3HD1 LEU 6 HD13 LEU 6 0.641 3.651 -4.965 197 1HD2 LEU 6 HD21 LEU 6 4.217 4.312 -4.421 198 2HD2 LEU 6 HD22 LEU 6 3.769 6.003 -4.221 199 3HD2 LEU 6 HD23 LEU 6 3.236 5.114 -5.649 200 H CYS 7 HN CYS 7 -0.326 6.806 -7.263 201 HA CYS 7 HA CYS 7 -2.927 7.157 -5.943 202 1HB CYS 7 HB2 CYS 7 -1.775 9.042 -8.010 203 2HB CYS 7 HB1 CYS 7 -3.433 9.082 -7.418 204 H GLY 8 HN GLY 8 -4.467 5.995 -6.916 205 1HA GLY 8 HA2 GLY 8 -5.667 4.957 -8.572 206 2HA GLY 8 HA1 GLY 8 -4.515 5.553 -9.757 207 H SER 9 HN SER 9 -3.836 3.804 -10.853 208 HA SER 9 HA SER 9 -3.666 1.211 -9.745 209 1HB SER 9 HB2 SER 9 -2.880 2.468 -12.327 210 2HB SER 9 HB1 SER 9 -2.168 0.911 -11.927 211 HG SER 9 HG SER 9 -4.139 -0.016 -11.882 212 H ASP 10 HN ASP 10 -1.521 3.911 -9.702 213 HA ASP 10 HA ASP 10 0.986 2.832 -9.625 214 1HB ASP 10 HB2 ASP 10 -0.314 5.201 -8.457 215 2HB ASP 10 HB1 ASP 10 1.110 4.688 -7.579 216 H LEU 11 HN LEU 11 -1.500 2.698 -7.150 217 HA LEU 11 HA LEU 11 0.134 1.605 -5.098 218 1HB LEU 11 HB2 LEU 11 -2.819 1.592 -5.599 219 2HB LEU 11 HB1 LEU 11 -2.104 0.865 -4.173 220 HG LEU 11 HG LEU 11 -1.805 3.777 -4.915 221 1HD1 LEU 11 HD11 LEU 11 -4.103 3.248 -4.533 222 2HD1 LEU 11 HD12 LEU 11 -3.466 4.173 -3.182 223 3HD1 LEU 11 HD13 LEU 11 -3.731 2.478 -3.035 224 1HD2 LEU 11 HD21 LEU 11 -0.452 3.924 -3.183 225 2HD2 LEU 11 HD22 LEU 11 -0.399 2.200 -3.086 226 3HD2 LEU 11 HD23 LEU 11 -1.517 3.112 -2.138 227 H VAL 12 HN VAL 12 -2.552 -0.063 -6.656 228 HA VAL 12 HA VAL 12 -1.903 -2.622 -6.103 229 HB VAL 12 HB VAL 12 -2.951 -3.222 -8.348 230 1HG1 VAL 12 HG11 VAL 12 -4.087 -2.235 -6.005 231 2HG1 VAL 12 HG12 VAL 12 -4.889 -3.123 -7.294 232 3HG1 VAL 12 HG13 VAL 12 -4.913 -1.363 -7.294 233 1HG2 VAL 12 HG21 VAL 12 -3.054 -0.221 -8.569 234 2HG2 VAL 12 HG22 VAL 12 -4.046 -1.305 -9.516 235 3HG2 VAL 12 HG23 VAL 12 -2.309 -1.350 -9.688 236 H GLU 13 HN GLU 13 -0.636 -0.733 -8.833 237 HA GLU 13 HA GLU 13 0.949 -2.704 -9.971 238 1HB GLU 13 HB2 GLU 13 1.240 0.270 -9.890 239 2HB GLU 13 HB1 GLU 13 2.310 -0.767 -10.827 240 1HG GLU 13 HG2 GLU 13 0.329 -1.598 -12.057 241 2HG GLU 13 HG1 GLU 13 -0.656 -0.437 -11.207 242 H ALA 14 HN ALA 14 1.734 -0.306 -7.508 243 HA ALA 14 HA ALA 14 4.372 -1.449 -7.103 244 1HB ALA 14 HB1 ALA 14 4.606 0.233 -5.362 245 2HB ALA 14 HB2 ALA 14 2.896 0.651 -5.512 246 3HB ALA 14 HB3 ALA 14 4.000 0.953 -6.853 247 H LEU 15 HN LEU 15 1.246 -2.193 -6.067 248 HA LEU 15 HA LEU 15 2.030 -3.213 -3.530 249 1HB LEU 15 HB2 LEU 15 -0.381 -2.295 -4.627 250 2HB LEU 15 HB1 LEU 15 -0.635 -3.974 -4.274 251 HG LEU 15 HG LEU 15 -0.098 -1.698 -2.428 252 1HD1 LEU 15 HD11 LEU 15 -1.861 -4.040 -1.911 253 2HD1 LEU 15 HD12 LEU 15 -2.373 -2.797 -3.051 254 3HD1 LEU 15 HD13 LEU 15 -2.005 -2.374 -1.391 255 1HD2 LEU 15 HD21 LEU 15 1.610 -3.065 -1.630 256 2HD2 LEU 15 HD22 LEU 15 0.734 -4.536 -2.016 257 3HD2 LEU 15 HD23 LEU 15 0.233 -3.554 -0.670 258 H TYR 16 HN TYR 16 0.252 -4.690 -6.280 259 HA TYR 16 HA TYR 16 0.679 -7.296 -5.386 260 1HB TYR 16 HB2 TYR 16 0.176 -8.037 -7.692 261 2HB TYR 16 HB1 TYR 16 -0.968 -6.910 -7.040 262 HD1 TYR 16 HD1 TYR 16 2.088 -6.899 -9.155 263 HD2 TYR 16 HD2 TYR 16 -1.746 -5.227 -8.391 264 HE1 TYR 16 HE1 TYR 16 2.267 -5.543 -11.200 265 HE2 TYR 16 HE2 TYR 16 -1.564 -3.867 -10.424 266 HH TYR 16 HH TYR 16 1.339 -3.431 -12.113 267 H LEU 17 HN LEU 17 2.913 -5.094 -6.811 268 HA LEU 17 HA LEU 17 4.727 -7.143 -7.720 269 1HB LEU 17 HB2 LEU 17 4.541 -4.248 -7.859 270 2HB LEU 17 HB1 LEU 17 6.137 -4.719 -7.359 271 HG LEU 17 HG LEU 17 6.531 -5.951 -9.335 272 1HD1 LEU 17 HD11 LEU 17 4.729 -6.124 -11.107 273 2HD1 LEU 17 HD12 LEU 17 3.638 -5.596 -9.859 274 3HD1 LEU 17 HD13 LEU 17 4.474 -7.114 -9.673 275 1HD2 LEU 17 HD21 LEU 17 6.260 -4.260 -11.071 276 2HD2 LEU 17 HD22 LEU 17 6.761 -3.524 -9.550 277 3HD2 LEU 17 HD23 LEU 17 5.080 -3.408 -10.074 278 H VAL 18 HN VAL 18 4.379 -5.087 -4.895 279 HA VAL 18 HA VAL 18 6.819 -5.959 -3.656 280 HB VAL 18 HB VAL 18 5.810 -4.954 -1.555 281 1HG1 VAL 18 HG11 VAL 18 7.278 -3.604 -2.757 282 2HG1 VAL 18 HG12 VAL 18 5.849 -2.610 -2.496 283 3HG1 VAL 18 HG13 VAL 18 6.133 -3.347 -4.072 284 1HG2 VAL 18 HG21 VAL 18 3.640 -4.154 -3.422 285 2HG2 VAL 18 HG22 VAL 18 3.818 -3.570 -1.806 286 3HG2 VAL 18 HG23 VAL 18 3.455 -5.246 -2.095 287 H CYS 19 HN CYS 19 3.410 -6.871 -3.370 288 HA CYS 19 HA CYS 19 3.949 -8.820 -1.300 289 1HB CYS 19 HB2 CYS 19 1.431 -8.432 -2.932 290 2HB CYS 19 HB1 CYS 19 1.606 -9.293 -1.421 291 H GLY 20 HN GLY 20 2.587 -9.056 -4.603 292 1HA GLY 20 HA2 GLY 20 2.740 -10.695 -6.171 293 2HA GLY 20 HA1 GLY 20 4.301 -11.097 -5.472 294 H GLU 21 HN GLU 21 4.431 -12.734 -3.901 295 HA GLU 21 HA GLU 21 2.533 -14.844 -4.226 296 1HB GLU 21 HB2 GLU 21 4.953 -14.427 -2.489 297 2HB GLU 21 HB1 GLU 21 3.925 -15.830 -2.248 298 1HG GLU 21 HG2 GLU 21 4.800 -16.906 -3.951 299 2HG GLU 21 HG1 GLU 21 4.562 -15.550 -5.050 300 H ARG 22 HN ARG 22 2.527 -12.102 -2.211 301 HA ARG 22 HA ARG 22 0.729 -13.384 -0.271 302 1HB ARG 22 HB2 ARG 22 2.032 -10.686 -0.051 303 2HB ARG 22 HB1 ARG 22 1.251 -11.611 1.222 304 1HG ARG 22 HG2 ARG 22 3.083 -12.846 1.616 305 2HG ARG 22 HG1 ARG 22 3.571 -12.923 -0.072 306 1HD ARG 22 HD2 ARG 22 4.411 -10.643 0.045 307 2HD ARG 22 HD1 ARG 22 3.850 -10.510 1.706 308 HE ARG 22 HE ARG 22 5.659 -11.691 2.424 309 1HH1 ARG 22 HH11 ARG 22 5.413 -12.023 -1.068 310 2HH1 ARG 22 HH12 ARG 22 6.958 -12.770 -1.213 311 1HH2 ARG 22 HH21 ARG 22 7.703 -12.693 2.196 312 2HH2 ARG 22 HH22 ARG 22 8.257 -13.158 0.622 313 H GLY 23 HN GLY 23 -0.820 -13.287 -2.184 314 1HA GLY 23 HA2 GLY 23 -1.990 -11.486 -3.589 315 2HA GLY 23 HA1 GLY 23 -2.994 -12.370 -2.455 316 H PHE 24 HN PHE 24 -1.489 -9.346 -3.195 317 HA PHE 24 HA PHE 24 -1.849 -7.930 -0.843 318 1HB PHE 24 HB2 PHE 24 -1.587 -5.974 -2.102 319 2HB PHE 24 HB1 PHE 24 -0.685 -7.191 -2.978 320 HD1 PHE 24 HD1 PHE 24 -3.186 -4.704 -3.256 321 HD2 PHE 24 HD2 PHE 24 -1.924 -8.402 -4.913 322 HE1 PHE 24 HE1 PHE 24 -4.440 -4.203 -5.281 323 HE2 PHE 24 HE2 PHE 24 -3.198 -7.920 -6.950 324 HZ PHE 24 HZ PHE 24 -4.456 -5.811 -7.146 325 H PHE 25 HN PHE 25 -3.432 -5.857 -0.921 326 HA PHE 25 HA PHE 25 -6.138 -6.849 -1.475 327 1HB PHE 25 HB2 PHE 25 -5.348 -7.016 0.993 328 2HB PHE 25 HB1 PHE 25 -5.528 -5.293 1.049 329 HD1 PHE 25 HD1 PHE 25 -7.577 -7.955 -0.592 330 HD2 PHE 25 HD2 PHE 25 -7.406 -4.850 2.328 331 HE1 PHE 25 HE1 PHE 25 -9.964 -8.261 -0.131 332 HE2 PHE 25 HE2 PHE 25 -9.798 -5.164 2.796 333 HZ PHE 25 HZ PHE 25 -11.082 -6.869 1.567 334 H TYR 26 HN TYR 26 -5.189 -3.817 0.121 335 HA TYR 26 HA TYR 26 -5.446 -1.655 -0.459 336 1HB TYR 26 HB2 TYR 26 -4.184 -1.743 -2.393 337 2HB TYR 26 HB1 TYR 26 -5.258 -2.859 -3.206 338 HD1 TYR 26 HD1 TYR 26 -7.321 -2.074 -4.271 339 HD2 TYR 26 HD2 TYR 26 -4.674 0.636 -2.410 340 HE1 TYR 26 HE1 TYR 26 -8.478 -0.197 -5.348 341 HE2 TYR 26 HE2 TYR 26 -5.823 2.523 -3.450 342 HH TYR 26 HH TYR 26 -8.612 2.593 -4.542 343 H THR 27 HN THR 27 -7.789 -3.962 -1.701 344 HA THR 27 HA THR 27 -9.771 -1.987 -2.242 345 HB THR 27 HB THR 27 -11.255 -3.896 -2.624 346 HG1 THR 27 HG1 THR 27 -10.728 -5.892 -2.035 347 1HG2 THR 27 HG21 THR 27 -10.060 -5.020 -4.405 348 2HG2 THR 27 HG22 THR 27 -8.533 -4.367 -3.812 349 3HG2 THR 27 HG23 THR 27 -9.771 -3.281 -4.445 350 H LYS 28 HN LYS 28 -11.500 -1.436 -1.072 351 HA LYS 28 HA LYS 28 -11.340 -1.785 1.786 352 1HB LYS 28 HB2 LYS 28 -13.355 -0.265 1.771 353 2HB LYS 28 HB1 LYS 28 -11.918 0.373 1.004 354 1HG LYS 28 HG2 LYS 28 -13.462 -0.975 -0.980 355 2HG LYS 28 HG1 LYS 28 -14.536 0.042 -0.043 356 1HD LYS 28 HD2 LYS 28 -13.346 2.002 -0.516 357 2HD LYS 28 HD1 LYS 28 -11.943 1.117 -1.122 358 1HE LYS 28 HE2 LYS 28 -14.623 1.492 -2.421 359 2HE LYS 28 HE1 LYS 28 -13.032 1.942 -3.030 360 1HZ LYS 28 HZ1 LYS 28 -13.524 0.046 -4.207 361 2HZ LYS 28 HZ2 LYS 28 -14.281 -0.723 -2.912 362 3HZ LYS 28 HZ3 LYS 28 -12.590 -0.592 -2.950 363 HA PRO 29 HA PRO 29 -14.178 -5.026 2.680 364 1HB PRO 29 HB2 PRO 29 -15.967 -3.004 3.988 365 2HB PRO 29 HB1 PRO 29 -15.365 -4.553 4.592 366 1HG PRO 29 HG2 PRO 29 -14.301 -2.261 5.414 367 2HG PRO 29 HG1 PRO 29 -13.286 -3.686 5.123 368 1HD PRO 29 HD2 PRO 29 -13.614 -1.226 3.490 369 2HD PRO 29 HD1 PRO 29 -12.180 -2.242 3.718 370 H THR 30 HN THR 30 -15.247 -5.824 0.951 371 HA THR 30 HA THR 30 -16.714 -6.036 -0.767 372 HB THR 30 HB THR 30 -19.060 -5.554 -0.207 373 HG1 THR 30 HG1 THR 30 -19.596 -4.276 1.430 374 1HG2 THR 30 HG21 THR 30 -17.560 -6.646 2.161 375 2HG2 THR 30 HG22 THR 30 -18.097 -7.567 0.755 376 3HG2 THR 30 HG23 THR 30 -19.283 -6.837 1.837 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -1.702 0.116 -1.130 2 2H GLY 1 HT2 GLY 1 -1.856 -0.765 0.238 3 3H GLY 1 HT3 GLY 1 -1.601 0.889 0.342 4 1HA GLY 1 HA1 GLY 1 -3.794 0.391 -1.251 5 2HA GLY 1 HA2 GLY 1 -4.061 -0.498 0.194 6 H ILE 2 HN ILE 2 -5.797 0.827 0.894 7 HA ILE 2 HA ILE 2 -6.824 2.918 1.159 8 HB ILE 2 HB ILE 2 -7.113 2.712 3.307 9 1HG1 ILE 2 HG12 ILE 2 -5.501 4.727 3.483 10 2HG1 ILE 2 HG11 ILE 2 -5.905 3.822 4.894 11 1HG2 ILE 2 HG21 ILE 2 -6.104 0.524 3.018 12 2HG2 ILE 2 HG22 ILE 2 -5.889 1.168 4.633 13 3HG2 ILE 2 HG23 ILE 2 -4.585 1.195 3.524 14 1HD1 ILE 2 HD11 ILE 2 -3.752 2.530 4.605 15 2HD1 ILE 2 HD12 ILE 2 -3.668 4.173 5.124 16 3HD1 ILE 2 HD13 ILE 2 -3.291 3.789 3.465 17 H VAL 3 HN VAL 3 -5.518 3.516 -0.627 18 HA VAL 3 HA VAL 3 -3.292 5.023 -0.732 19 HB VAL 3 HB VAL 3 -5.119 4.208 -2.496 20 1HG1 VAL 3 HG11 VAL 3 -6.747 5.894 -1.939 21 2HG1 VAL 3 HG12 VAL 3 -6.214 6.002 -3.603 22 3HG1 VAL 3 HG13 VAL 3 -5.601 7.149 -2.423 23 1HG2 VAL 3 HG21 VAL 3 -3.544 6.507 -3.378 24 2HG2 VAL 3 HG22 VAL 3 -3.716 4.932 -4.116 25 3HG2 VAL 3 HG23 VAL 3 -2.662 5.147 -2.725 26 H GLU 4 HN GLU 4 -6.539 6.137 0.087 27 HA GLU 4 HA GLU 4 -6.244 8.858 -0.006 28 1HB GLU 4 HB2 GLU 4 -7.534 7.244 2.206 29 2HB GLU 4 HB1 GLU 4 -7.784 8.968 1.958 30 1HG GLU 4 HG2 GLU 4 -8.365 7.067 -0.289 31 2HG GLU 4 HG1 GLU 4 -9.483 7.194 1.062 32 H GLN 5 HN GLN 5 -4.828 6.573 2.245 33 HA GLN 5 HA GLN 5 -3.634 8.700 3.831 34 1HB GLN 5 HB2 GLN 5 -4.446 6.087 4.345 35 2HB GLN 5 HB1 GLN 5 -2.715 6.018 4.489 36 1HG GLN 5 HG2 GLN 5 -2.821 6.933 6.480 37 2HG GLN 5 HG1 GLN 5 -3.644 8.353 5.852 38 1HE2 GLN 5 HE21 GLN 5 -4.189 7.554 8.369 39 2HE2 GLN 5 HE22 GLN 5 -5.770 6.863 8.441 40 H CYS 6 HN CYS 6 -2.435 5.788 2.166 41 HA CYS 6 HA CYS 6 0.266 6.493 2.243 42 1HB CYS 6 HB2 CYS 6 -1.393 4.586 0.644 43 2HB CYS 6 HB1 CYS 6 0.240 4.892 0.076 44 H CYS 7 HN CYS 7 -2.212 7.683 0.169 45 HA CYS 7 HA CYS 7 -0.443 8.549 -1.917 46 1HB CYS 7 HB2 CYS 7 -2.770 7.962 -2.412 47 2HB CYS 7 HB1 CYS 7 -3.324 9.253 -1.381 48 H THR 8 HN THR 8 -2.169 10.131 0.767 49 HA THR 8 HA THR 8 -1.755 12.761 0.274 50 HB THR 8 HB THR 8 -2.812 11.801 2.325 51 HG1 THR 8 HG1 THR 8 -2.500 13.956 2.436 52 1HG2 THR 8 HG21 THR 8 -0.359 11.913 3.895 53 2HG2 THR 8 HG22 THR 8 -0.438 10.540 2.816 54 3HG2 THR 8 HG23 THR 8 -1.719 10.805 3.979 55 H SER 9 HN SER 9 0.693 10.415 1.161 56 HA SER 9 HA SER 9 2.776 12.394 0.550 57 1HB SER 9 HB2 SER 9 2.286 11.592 3.128 58 2HB SER 9 HB1 SER 9 3.484 10.405 2.638 59 HG SER 9 HG SER 9 3.693 13.216 2.759 60 H ILE 10 HN ILE 10 4.895 10.487 1.021 61 HA ILE 10 HA ILE 10 4.381 8.692 -1.262 62 HB ILE 10 HB ILE 10 7.116 9.408 -0.197 63 1HG1 ILE 10 HG12 ILE 10 7.128 11.020 -2.208 64 2HG1 ILE 10 HG11 ILE 10 5.369 10.902 -2.151 65 1HG2 ILE 10 HG21 ILE 10 6.103 8.332 -2.780 66 2HG2 ILE 10 HG22 ILE 10 7.051 7.480 -1.612 67 3HG2 ILE 10 HG23 ILE 10 7.753 8.813 -2.503 68 1HD1 ILE 10 HD11 ILE 10 5.216 12.232 -0.388 69 2HD1 ILE 10 HD12 ILE 10 6.830 12.735 -0.865 70 3HD1 ILE 10 HD13 ILE 10 6.631 11.542 0.412 71 H CYS 11 HN CYS 11 3.263 7.269 0.191 72 HA CYS 11 HA CYS 11 4.144 6.122 2.476 73 1HB CYS 11 HB2 CYS 11 2.150 5.541 0.637 74 2HB CYS 11 HB1 CYS 11 3.068 4.049 0.685 75 H SER 12 HN SER 12 5.539 4.588 3.153 76 HA SER 12 HA SER 12 7.611 3.767 1.245 77 1HB SER 12 HB2 SER 12 7.736 3.117 4.157 78 2HB SER 12 HB1 SER 12 9.020 3.554 3.023 79 HG SER 12 HG SER 12 8.416 5.182 4.628 80 H LEU 13 HN LEU 13 7.939 1.694 0.694 81 HA LEU 13 HA LEU 13 6.005 -0.198 0.546 82 1HB LEU 13 HB2 LEU 13 8.915 -0.870 0.923 83 2HB LEU 13 HB1 LEU 13 7.698 -1.853 0.133 84 HG LEU 13 HG LEU 13 8.629 -0.991 -1.699 85 1HD1 LEU 13 HD11 LEU 13 6.874 1.375 -1.066 86 2HD1 LEU 13 HD12 LEU 13 6.267 -0.191 -1.596 87 3HD1 LEU 13 HD13 LEU 13 7.314 0.754 -2.631 88 1HD2 LEU 13 HD21 LEU 13 10.127 0.504 -0.075 89 2HD2 LEU 13 HD22 LEU 13 9.133 1.772 -0.771 90 3HD2 LEU 13 HD23 LEU 13 10.087 0.735 -1.797 91 H TYR 14 HN TYR 14 8.148 0.316 3.234 92 HA TYR 14 HA TYR 14 7.647 -2.010 4.693 93 1HB TYR 14 HB2 TYR 14 7.746 0.351 6.438 94 2HB TYR 14 HB1 TYR 14 8.819 -1.035 6.341 95 HD1 TYR 14 HD1 TYR 14 10.277 -0.991 4.009 96 HD2 TYR 14 HD2 TYR 14 8.776 2.382 6.133 97 HE1 TYR 14 HE1 TYR 14 12.021 0.415 3.003 98 HE2 TYR 14 HE2 TYR 14 10.516 3.793 5.131 99 HH TYR 14 HH TYR 14 13.110 3.017 4.030 100 H GLN 15 HN GLN 15 5.819 0.951 4.334 101 HA GLN 15 HA GLN 15 3.734 0.150 6.158 102 1HB GLN 15 HB2 GLN 15 3.872 2.447 4.185 103 2HB GLN 15 HB1 GLN 15 2.635 2.233 5.415 104 1HG GLN 15 HG2 GLN 15 5.571 2.646 5.945 105 2HG GLN 15 HG1 GLN 15 4.321 3.884 6.052 106 1HE2 GLN 15 HE21 GLN 15 5.594 3.775 8.258 107 2HE2 GLN 15 HE22 GLN 15 4.793 2.841 9.471 108 H LEU 16 HN LEU 16 4.430 0.049 2.761 109 HA LEU 16 HA LEU 16 1.797 -0.611 1.945 110 1HB LEU 16 HB2 LEU 16 3.939 0.314 0.628 111 2HB LEU 16 HB1 LEU 16 4.124 -1.395 0.275 112 HG LEU 16 HG LEU 16 1.735 -1.357 -0.559 113 1HD1 LEU 16 HD11 LEU 16 1.561 1.073 0.656 114 2HD1 LEU 16 HD12 LEU 16 0.508 0.491 -0.611 115 3HD1 LEU 16 HD13 LEU 16 1.860 1.545 -1.008 116 1HD2 LEU 16 HD21 LEU 16 2.328 -0.471 -2.716 117 2HD2 LEU 16 HD22 LEU 16 3.711 -1.315 -2.030 118 3HD2 LEU 16 HD23 LEU 16 3.664 0.443 -2.012 119 H GLU 17 HN GLU 17 4.447 -2.347 3.295 120 HA GLU 17 HA GLU 17 3.694 -4.924 2.274 121 1HB GLU 17 HB2 GLU 17 5.987 -3.943 3.361 122 2HB GLU 17 HB1 GLU 17 5.312 -4.750 4.767 123 1HG GLU 17 HG2 GLU 17 5.044 -6.778 3.193 124 2HG GLU 17 HG1 GLU 17 6.141 -5.899 2.126 125 H ASN 18 HN ASN 18 2.601 -2.866 4.786 126 HA ASN 18 HA ASN 18 1.523 -5.006 6.427 127 1HB ASN 18 HB2 ASN 18 2.253 -2.358 6.895 128 2HB ASN 18 HB1 ASN 18 0.500 -2.294 6.936 129 1HD2 ASN 18 HD21 ASN 18 3.062 -2.538 8.863 130 2HD2 ASN 18 HD22 ASN 18 2.394 -3.497 10.133 131 H TYR 19 HN TYR 19 0.692 -4.493 3.539 132 HA TYR 19 HA TYR 19 -2.198 -4.131 3.934 133 1HB TYR 19 HB2 TYR 19 -0.302 -3.574 1.700 134 2HB TYR 19 HB1 TYR 19 -1.955 -3.967 1.294 135 HD1 TYR 19 HD1 TYR 19 -3.796 -2.497 2.123 136 HD2 TYR 19 HD2 TYR 19 0.284 -1.424 2.518 137 HE1 TYR 19 HE1 TYR 19 -4.419 -0.192 2.389 138 HE2 TYR 19 HE2 TYR 19 -0.346 0.929 2.811 139 HH TYR 19 HH TYR 19 -2.287 2.394 2.174 140 H CYS 20 HN CYS 20 0.312 -6.251 2.793 141 HA CYS 20 HA CYS 20 -1.069 -8.016 1.224 142 1HB CYS 20 HB2 CYS 20 0.885 -9.312 3.010 143 2HB CYS 20 HB1 CYS 20 0.732 -9.328 1.276 144 H ASN 21 HN ASN 21 -2.327 -9.824 1.555 145 HA ASN 21 HA ASN 21 -3.255 -10.299 4.320 146 1HB ASN 21 HB2 ASN 21 -5.032 -9.304 3.062 147 2HB ASN 21 HB1 ASN 21 -4.758 -10.385 1.701 148 1HD2 ASN 21 HD21 ASN 21 -6.098 -12.062 1.564 149 2HD2 ASN 21 HD22 ASN 21 -6.977 -12.746 2.883 150 1H PHE 1 HT1 PHE 1 9.984 3.474 -1.876 151 2H PHE 1 HT2 PHE 1 9.277 2.244 -2.809 152 3H PHE 1 HT3 PHE 1 9.353 3.796 -3.407 153 HA PHE 1 HA PHE 1 11.731 2.294 -2.710 154 1HB PHE 1 HB2 PHE 1 10.522 2.614 -5.471 155 2HB PHE 1 HB1 PHE 1 11.981 1.724 -5.045 156 HD1 PHE 1 HD1 PHE 1 8.414 1.577 -5.398 157 HD2 PHE 1 HD2 PHE 1 11.768 -0.335 -3.591 158 HE1 PHE 1 HE1 PHE 1 7.084 -0.468 -5.095 159 HE2 PHE 1 HE2 PHE 1 10.438 -2.381 -3.286 160 HZ PHE 1 HZ PHE 1 8.104 -2.447 -4.049 161 H VAL 2 HN VAL 2 10.126 4.982 -4.363 162 HA VAL 2 HA VAL 2 12.611 6.549 -4.132 163 HB VAL 2 HB VAL 2 12.296 7.511 -6.298 164 1HG1 VAL 2 HG11 VAL 2 12.647 5.623 -7.749 165 2HG1 VAL 2 HG12 VAL 2 11.969 4.532 -6.542 166 3HG1 VAL 2 HG13 VAL 2 13.482 5.380 -6.217 167 1HG2 VAL 2 HG21 VAL 2 9.971 7.723 -6.587 168 2HG2 VAL 2 HG22 VAL 2 9.687 6.008 -6.302 169 3HG2 VAL 2 HG23 VAL 2 10.442 6.546 -7.800 170 H ASN 3 HN ASN 3 11.451 8.889 -5.296 171 HA ASN 3 HA ASN 3 9.868 9.770 -3.030 172 1HB ASN 3 HB2 ASN 3 10.075 12.017 -4.144 173 2HB ASN 3 HB1 ASN 3 11.605 11.253 -3.730 174 1HD2 ASN 3 HD21 ASN 3 9.418 12.036 -6.360 175 2HD2 ASN 3 HD22 ASN 3 10.597 11.874 -7.612 176 H GLN 4 HN GLN 4 8.420 7.929 -4.317 177 HA GLN 4 HA GLN 4 6.760 8.937 -6.379 178 1HB GLN 4 HB2 GLN 4 5.460 6.873 -6.019 179 2HB GLN 4 HB1 GLN 4 7.179 6.590 -6.153 180 1HG GLN 4 HG2 GLN 4 7.267 6.540 -3.640 181 2HG GLN 4 HG1 GLN 4 5.526 6.489 -3.658 182 1HE2 GLN 4 HE21 GLN 4 7.611 4.562 -2.766 183 2HE2 GLN 4 HE22 GLN 4 7.264 3.103 -3.627 184 H ALA 5 HN ALA 5 4.334 7.740 -4.874 185 HA ALA 5 HA ALA 5 3.640 9.714 -2.903 186 1HB ALA 5 HB1 ALA 5 2.220 9.690 -5.565 187 2HB ALA 5 HB2 ALA 5 3.282 10.964 -4.970 188 3HB ALA 5 HB3 ALA 5 1.760 10.635 -4.145 189 H LEU 6 HN LEU 6 2.417 7.335 -5.228 190 HA LEU 6 HA LEU 6 1.305 5.415 -4.923 191 1HB LEU 6 HB2 LEU 6 1.653 6.125 -2.055 192 2HB LEU 6 HB1 LEU 6 0.389 5.020 -2.448 193 HG LEU 6 HG LEU 6 2.615 4.020 -1.815 194 1HD1 LEU 6 HD11 LEU 6 1.732 2.249 -2.798 195 2HD1 LEU 6 HD12 LEU 6 2.352 2.762 -4.343 196 3HD1 LEU 6 HD13 LEU 6 0.752 3.261 -3.846 197 1HD2 LEU 6 HD21 LEU 6 4.343 3.964 -3.420 198 2HD2 LEU 6 HD22 LEU 6 3.945 5.651 -3.130 199 3HD2 LEU 6 HD23 LEU 6 3.402 4.859 -4.612 200 H CYS 7 HN CYS 7 -0.236 6.377 -6.259 201 HA CYS 7 HA CYS 7 -2.793 6.627 -4.969 202 1HB CYS 7 HB2 CYS 7 -1.432 8.932 -5.793 203 2HB CYS 7 HB1 CYS 7 -2.682 8.662 -6.994 204 H GLY 8 HN GLY 8 -4.406 5.667 -6.035 205 1HA GLY 8 HA2 GLY 8 -5.567 4.831 -7.849 206 2HA GLY 8 HA1 GLY 8 -4.256 5.310 -8.918 207 H SER 9 HN SER 9 -3.269 3.623 -9.837 208 HA SER 9 HA SER 9 -3.492 0.994 -8.638 209 1HB SER 9 HB2 SER 9 -3.463 1.877 -11.250 210 2HB SER 9 HB1 SER 9 -1.856 1.182 -11.067 211 HG SER 9 HG SER 9 -3.435 -0.348 -11.725 212 H ASP 10 HN ASP 10 -1.292 3.584 -8.594 213 HA ASP 10 HA ASP 10 1.207 2.478 -8.627 214 1HB ASP 10 HB2 ASP 10 -0.050 4.801 -7.335 215 2HB ASP 10 HB1 ASP 10 1.355 4.219 -6.461 216 H LEU 11 HN LEU 11 -1.159 2.369 -6.013 217 HA LEU 11 HA LEU 11 0.480 1.098 -4.090 218 1HB LEU 11 HB2 LEU 11 -2.483 1.095 -4.528 219 2HB LEU 11 HB1 LEU 11 -1.735 0.326 -3.145 220 HG LEU 11 HG LEU 11 -1.437 3.264 -3.767 221 1HD1 LEU 11 HD11 LEU 11 -3.666 3.079 -3.440 222 2HD1 LEU 11 HD12 LEU 11 -3.110 3.334 -1.803 223 3HD1 LEU 11 HD13 LEU 11 -3.543 1.770 -2.324 224 1HD2 LEU 11 HD21 LEU 11 -0.254 3.404 -1.867 225 2HD2 LEU 11 HD22 LEU 11 -0.022 1.691 -2.056 226 3HD2 LEU 11 HD23 LEU 11 -1.271 2.292 -1.008 227 H VAL 12 HN VAL 12 -2.263 -0.463 -5.656 228 HA VAL 12 HA VAL 12 -1.668 -3.050 -5.264 229 HB VAL 12 HB VAL 12 -2.690 -3.463 -7.610 230 1HG1 VAL 12 HG11 VAL 12 -4.331 -3.725 -6.132 231 2HG1 VAL 12 HG12 VAL 12 -4.878 -2.145 -6.665 232 3HG1 VAL 12 HG13 VAL 12 -3.906 -2.298 -5.206 233 1HG2 VAL 12 HG21 VAL 12 -2.885 -0.459 -7.455 234 2HG2 VAL 12 HG22 VAL 12 -3.852 -1.456 -8.519 235 3HG2 VAL 12 HG23 VAL 12 -2.115 -1.430 -8.702 236 H GLU 13 HN GLU 13 -0.295 -1.025 -7.830 237 HA GLU 13 HA GLU 13 1.207 -3.020 -9.066 238 1HB GLU 13 HB2 GLU 13 1.527 -0.056 -8.942 239 2HB GLU 13 HB1 GLU 13 2.601 -1.082 -9.889 240 1HG GLU 13 HG2 GLU 13 0.571 -1.899 -11.110 241 2HG GLU 13 HG1 GLU 13 -0.353 -0.673 -10.282 242 H ALA 14 HN ALA 14 2.062 -0.650 -6.610 243 HA ALA 14 HA ALA 14 4.682 -1.829 -6.222 244 1HB ALA 14 HB1 ALA 14 4.341 0.582 -5.992 245 2HB ALA 14 HB2 ALA 14 4.956 -0.131 -4.502 246 3HB ALA 14 HB3 ALA 14 3.250 0.304 -4.635 247 H LEU 15 HN LEU 15 1.576 -2.586 -5.201 248 HA LEU 15 HA LEU 15 2.307 -3.556 -2.625 249 1HB LEU 15 HB2 LEU 15 -0.054 -2.646 -3.750 250 2HB LEU 15 HB1 LEU 15 -0.324 -4.339 -3.519 251 HG LEU 15 HG LEU 15 0.247 -2.228 -1.484 252 1HD1 LEU 15 HD11 LEU 15 -1.880 -2.459 -0.996 253 2HD1 LEU 15 HD12 LEU 15 -1.752 -4.185 -0.880 254 3HD1 LEU 15 HD13 LEU 15 -2.061 -3.438 -2.432 255 1HD2 LEU 15 HD21 LEU 15 1.730 -3.861 -0.719 256 2HD2 LEU 15 HD22 LEU 15 0.698 -5.166 -1.285 257 3HD2 LEU 15 HD23 LEU 15 0.253 -4.257 0.127 258 H TYR 16 HN TYR 16 0.652 -5.064 -5.432 259 HA TYR 16 HA TYR 16 1.033 -7.669 -4.502 260 1HB TYR 16 HB2 TYR 16 0.664 -8.403 -6.859 261 2HB TYR 16 HB1 TYR 16 -0.557 -7.355 -6.204 262 HD1 TYR 16 HD1 TYR 16 -1.500 -6.062 -7.822 263 HD2 TYR 16 HD2 TYR 16 2.688 -6.747 -7.989 264 HE1 TYR 16 HE1 TYR 16 -1.347 -4.659 -9.827 265 HE2 TYR 16 HE2 TYR 16 2.854 -5.320 -9.968 266 HH TYR 16 HH TYR 16 1.706 -3.669 -11.177 267 H LEU 17 HN LEU 17 3.302 -5.495 -5.941 268 HA LEU 17 HA LEU 17 5.119 -7.620 -6.692 269 1HB LEU 17 HB2 LEU 17 4.835 -4.834 -7.268 270 2HB LEU 17 HB1 LEU 17 6.421 -5.072 -6.586 271 HG LEU 17 HG LEU 17 6.988 -6.666 -8.300 272 1HD1 LEU 17 HD11 LEU 17 4.264 -6.258 -9.453 273 2HD1 LEU 17 HD12 LEU 17 4.704 -7.681 -8.553 274 3HD1 LEU 17 HD13 LEU 17 5.505 -7.303 -10.062 275 1HD2 LEU 17 HD21 LEU 17 6.924 -5.213 -10.256 276 2HD2 LEU 17 HD22 LEU 17 7.303 -4.293 -8.802 277 3HD2 LEU 17 HD23 LEU 17 5.681 -4.220 -9.493 278 H VAL 18 HN VAL 18 4.668 -5.416 -4.025 279 HA VAL 18 HA VAL 18 7.182 -6.046 -2.763 280 HB VAL 18 HB VAL 18 6.136 -4.953 -0.729 281 1HG1 VAL 18 HG11 VAL 18 7.507 -3.570 -1.960 282 2HG1 VAL 18 HG12 VAL 18 6.005 -2.655 -1.881 283 3HG1 VAL 18 HG13 VAL 18 6.431 -3.539 -3.350 284 1HG2 VAL 18 HG21 VAL 18 3.919 -4.453 -2.627 285 2HG2 VAL 18 HG22 VAL 18 4.066 -3.684 -1.090 286 3HG2 VAL 18 HG23 VAL 18 3.814 -5.400 -1.194 287 H CYS 19 HN CYS 19 3.826 -7.118 -2.420 288 HA CYS 19 HA CYS 19 4.492 -8.871 -0.204 289 1HB CYS 19 HB2 CYS 19 1.897 -8.616 -1.736 290 2HB CYS 19 HB1 CYS 19 2.154 -9.410 -0.194 291 H GLY 20 HN GLY 20 2.963 -9.420 -3.400 292 1HA GLY 20 HA2 GLY 20 3.125 -11.185 -4.832 293 2HA GLY 20 HA1 GLY 20 4.682 -11.550 -4.101 294 H GLU 21 HN GLU 21 1.702 -12.818 -4.675 295 HA GLU 21 HA GLU 21 0.746 -14.761 -4.008 296 1HB GLU 21 HB2 GLU 21 3.376 -15.042 -3.013 297 2HB GLU 21 HB1 GLU 21 2.335 -15.410 -1.647 298 1HG GLU 21 HG2 GLU 21 1.165 -16.847 -3.661 299 2HG GLU 21 HG1 GLU 21 2.861 -16.860 -4.142 300 H ARG 22 HN ARG 22 0.595 -11.962 -2.607 301 HA ARG 22 HA ARG 22 -1.291 -12.843 -0.549 302 1HB ARG 22 HB2 ARG 22 1.003 -10.930 -0.214 303 2HB ARG 22 HB1 ARG 22 -0.457 -10.765 0.744 304 1HG ARG 22 HG2 ARG 22 0.772 -12.028 2.154 305 2HG ARG 22 HG1 ARG 22 -0.069 -13.299 1.269 306 1HD ARG 22 HD2 ARG 22 1.932 -14.172 0.833 307 2HD ARG 22 HD1 ARG 22 2.185 -12.831 -0.261 308 HE ARG 22 HE ARG 22 3.674 -11.918 1.190 309 1HH1 ARG 22 HH11 ARG 22 1.815 -14.376 2.883 310 2HH1 ARG 22 HH12 ARG 22 2.804 -14.308 4.290 311 1HH2 ARG 22 HH21 ARG 22 4.964 -11.848 3.075 312 2HH2 ARG 22 HH22 ARG 22 4.583 -12.881 4.413 313 H GLY 23 HN GLY 23 -3.018 -12.347 -1.758 314 1HA GLY 23 HA2 GLY 23 -3.487 -10.364 -3.540 315 2HA GLY 23 HA1 GLY 23 -4.722 -11.012 -2.481 316 H PHE 24 HN PHE 24 -2.738 -9.673 -0.293 317 HA PHE 24 HA PHE 24 -2.941 -7.868 1.003 318 1HB PHE 24 HB2 PHE 24 -2.544 -5.700 -0.116 319 2HB PHE 24 HB1 PHE 24 -1.425 -6.942 -0.612 320 HD1 PHE 24 HD1 PHE 24 -1.472 -7.870 -2.848 321 HD2 PHE 24 HD2 PHE 24 -4.220 -4.834 -1.677 322 HE1 PHE 24 HE1 PHE 24 -2.047 -7.487 -5.194 323 HE2 PHE 24 HE2 PHE 24 -4.779 -4.437 -4.038 324 HZ PHE 24 HZ PHE 24 -3.687 -5.764 -5.803 325 H PHE 25 HN PHE 25 -4.147 -5.453 0.957 326 HA PHE 25 HA PHE 25 -6.970 -6.232 0.683 327 1HB PHE 25 HB2 PHE 25 -5.799 -5.766 2.999 328 2HB PHE 25 HB1 PHE 25 -6.102 -4.091 2.614 329 HD1 PHE 25 HD1 PHE 25 -7.955 -3.299 3.733 330 HD2 PHE 25 HD2 PHE 25 -8.007 -7.288 2.228 331 HE1 PHE 25 HE1 PHE 25 -10.249 -3.585 4.566 332 HE2 PHE 25 HE2 PHE 25 -10.300 -7.572 3.056 333 HZ PHE 25 HZ PHE 25 -11.428 -5.721 4.227 334 H TYR 26 HN TYR 26 -5.649 -2.981 1.293 335 HA TYR 26 HA TYR 26 -6.264 -1.030 0.408 336 1HB TYR 26 HB2 TYR 26 -4.487 -1.801 -1.196 337 2HB TYR 26 HB1 TYR 26 -5.747 -2.447 -2.212 338 HD1 TYR 26 HD1 TYR 26 -4.457 -0.850 -3.868 339 HD2 TYR 26 HD2 TYR 26 -6.935 0.548 -0.694 340 HE1 TYR 26 HE1 TYR 26 -4.730 1.305 -5.003 341 HE2 TYR 26 HE2 TYR 26 -7.202 2.670 -1.810 342 HH TYR 26 HH TYR 26 -5.349 3.565 -4.610 343 H THR 27 HN THR 27 -8.483 -1.063 1.025 344 HA THR 27 HA THR 27 -10.318 -1.357 -1.277 345 HB THR 27 HB THR 27 -12.010 -2.337 0.236 346 HG1 THR 27 HG1 THR 27 -11.405 -1.744 2.246 347 1HG2 THR 27 HG21 THR 27 -10.659 -3.868 -1.080 348 2HG2 THR 27 HG22 THR 27 -11.076 -4.552 0.491 349 3HG2 THR 27 HG23 THR 27 -9.455 -3.918 0.208 350 H LYS 28 HN LYS 28 -12.548 -0.447 -0.583 351 HA LYS 28 HA LYS 28 -12.781 1.566 1.317 352 1HB LYS 28 HB2 LYS 28 -10.987 2.509 -0.432 353 2HB LYS 28 HB1 LYS 28 -12.412 2.903 -1.331 354 1HG LYS 28 HG2 LYS 28 -12.598 3.724 1.465 355 2HG LYS 28 HG1 LYS 28 -11.213 4.416 0.623 356 1HD LYS 28 HD2 LYS 28 -14.084 4.545 -0.304 357 2HD LYS 28 HD1 LYS 28 -13.179 5.854 0.459 358 1HE LYS 28 HE2 LYS 28 -11.490 5.464 -1.501 359 2HE LYS 28 HE1 LYS 28 -12.864 4.669 -2.270 360 1HZ LYS 28 HZ1 LYS 28 -12.828 7.464 -1.272 361 2HZ LYS 28 HZ2 LYS 28 -14.140 6.699 -2.023 362 3HZ LYS 28 HZ3 LYS 28 -12.717 6.984 -2.890 363 HA PRO 29 HA PRO 29 -16.365 1.904 -1.857 364 1HB PRO 29 HB2 PRO 29 -15.829 0.232 -4.154 365 2HB PRO 29 HB1 PRO 29 -15.998 1.984 -4.066 366 1HG PRO 29 HG2 PRO 29 -13.653 0.695 -4.641 367 2HG PRO 29 HG1 PRO 29 -13.751 2.322 -3.946 368 1HD PRO 29 HD2 PRO 29 -13.260 -0.301 -2.591 369 2HD PRO 29 HD1 PRO 29 -12.463 1.258 -2.359 370 H THR 30 HN THR 30 -15.131 -0.722 -0.465 371 HA THR 30 HA THR 30 -15.922 -2.650 0.311 372 HB THR 30 HB THR 30 -18.641 -1.800 -0.721 373 HG1 THR 30 HG1 THR 30 -18.056 -0.083 0.465 374 1HG2 THR 30 HG21 THR 30 -17.832 -3.454 1.655 375 2HG2 THR 30 HG22 THR 30 -18.600 -4.039 0.179 376 3HG2 THR 30 HG23 THR 30 -19.473 -2.949 1.255 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -7.830 1.979 4.772 2 2H GLY 1 HT2 GLY 1 -8.988 3.162 5.116 3 3H GLY 1 HT3 GLY 1 -7.358 3.454 5.459 4 1HA GLY 1 HA1 GLY 1 -8.550 3.120 2.757 5 2HA GLY 1 HA2 GLY 1 -8.043 4.642 3.472 6 H ILE 2 HN ILE 2 -7.138 2.297 1.367 7 HA ILE 2 HA ILE 2 -4.308 2.222 1.954 8 HB ILE 2 HB ILE 2 -5.693 1.339 -0.585 9 1HG1 ILE 2 HG12 ILE 2 -5.266 -0.979 0.702 10 2HG1 ILE 2 HG11 ILE 2 -5.478 0.054 2.108 11 1HG2 ILE 2 HG21 ILE 2 -2.939 1.403 0.242 12 2HG2 ILE 2 HG22 ILE 2 -3.654 0.949 -1.290 13 3HG2 ILE 2 HG23 ILE 2 -3.452 -0.256 -0.035 14 1HD1 ILE 2 HD11 ILE 2 -7.666 0.251 1.779 15 2HD1 ILE 2 HD12 ILE 2 -7.456 -1.201 0.810 16 3HD1 ILE 2 HD13 ILE 2 -7.528 0.373 0.024 17 H VAL 3 HN VAL 3 -6.173 3.366 -0.848 18 HA VAL 3 HA VAL 3 -4.114 4.784 -2.067 19 HB VAL 3 HB VAL 3 -6.142 6.277 -2.948 20 1HG1 VAL 3 HG11 VAL 3 -6.645 4.468 -4.593 21 2HG1 VAL 3 HG12 VAL 3 -5.632 3.410 -3.620 22 3HG1 VAL 3 HG13 VAL 3 -4.940 4.837 -4.367 23 1HG2 VAL 3 HG21 VAL 3 -7.603 5.080 -1.079 24 2HG2 VAL 3 HG22 VAL 3 -7.729 3.835 -2.302 25 3HG2 VAL 3 HG23 VAL 3 -8.252 5.476 -2.658 26 H GLU 4 HN GLU 4 -6.764 6.328 -0.267 27 HA GLU 4 HA GLU 4 -5.862 8.865 -0.117 28 1HB GLU 4 HB2 GLU 4 -7.096 7.421 2.236 29 2HB GLU 4 HB1 GLU 4 -7.148 9.146 1.886 30 1HG GLU 4 HG2 GLU 4 -8.245 8.019 -0.390 31 2HG GLU 4 HG1 GLU 4 -8.801 6.948 0.895 32 H GLN 5 HN GLN 5 -4.584 6.102 1.624 33 HA GLN 5 HA GLN 5 -3.015 7.677 3.439 34 1HB GLN 5 HB2 GLN 5 -3.852 5.427 3.992 35 2HB GLN 5 HB1 GLN 5 -2.828 4.732 2.769 36 1HG GLN 5 HG2 GLN 5 -1.863 4.476 4.970 37 2HG GLN 5 HG1 GLN 5 -0.849 5.502 3.961 38 1HE2 GLN 5 HE21 GLN 5 -3.777 6.102 5.924 39 2HE2 GLN 5 HE22 GLN 5 -3.074 7.385 6.830 40 H CYS 6 HN CYS 6 -1.980 5.273 0.991 41 HA CYS 6 HA CYS 6 0.656 6.290 0.872 42 1HB CYS 6 HB2 CYS 6 -0.939 4.397 -0.839 43 2HB CYS 6 HB1 CYS 6 0.683 4.874 -1.325 44 H CYS 7 HN CYS 7 -2.155 6.763 -1.213 45 HA CYS 7 HA CYS 7 -1.121 8.109 -3.333 46 1HB CYS 7 HB2 CYS 7 -3.529 7.629 -2.986 47 2HB CYS 7 HB1 CYS 7 -3.603 8.952 -1.829 48 H THR 8 HN THR 8 -1.412 9.329 -0.057 49 HA THR 8 HA THR 8 -0.623 12.011 -0.836 50 HB THR 8 HB THR 8 -0.824 12.553 1.495 51 HG1 THR 8 HG1 THR 8 -0.021 10.930 2.656 52 1HG2 THR 8 HG21 THR 8 -3.017 10.805 0.444 53 2HG2 THR 8 HG22 THR 8 -2.963 12.550 0.647 54 3HG2 THR 8 HG23 THR 8 -3.099 11.506 2.058 55 H SER 9 HN SER 9 1.434 12.715 -0.937 56 HA SER 9 HA SER 9 3.694 12.775 -0.785 57 1HB SER 9 HB2 SER 9 3.299 12.885 1.627 58 2HB SER 9 HB1 SER 9 3.216 11.133 1.724 59 HG SER 9 HG SER 9 5.265 11.791 2.303 60 H ILE 10 HN ILE 10 5.508 10.750 0.139 61 HA ILE 10 HA ILE 10 5.133 8.797 -2.025 62 HB ILE 10 HB ILE 10 7.756 8.536 -0.914 63 1HG1 ILE 10 HG12 ILE 10 7.530 10.791 0.006 64 2HG1 ILE 10 HG11 ILE 10 8.680 10.772 -1.321 65 1HG2 ILE 10 HG21 ILE 10 6.654 8.363 -3.317 66 2HG2 ILE 10 HG22 ILE 10 8.364 8.564 -3.054 67 3HG2 ILE 10 HG23 ILE 10 7.383 9.945 -3.466 68 1HD1 ILE 10 HD11 ILE 10 6.142 11.381 -2.448 69 2HD1 ILE 10 HD12 ILE 10 7.568 12.393 -2.285 70 3HD1 ILE 10 HD13 ILE 10 6.367 12.373 -1.006 71 H CYS 11 HN CYS 11 4.274 6.943 -1.386 72 HA CYS 11 HA CYS 11 4.469 6.092 1.357 73 1HB CYS 11 HB2 CYS 11 2.583 5.694 -0.522 74 2HB CYS 11 HB1 CYS 11 3.465 4.185 -0.716 75 H SER 12 HN SER 12 5.722 4.525 2.222 76 HA SER 12 HA SER 12 7.924 3.522 0.568 77 1HB SER 12 HB2 SER 12 7.438 3.759 3.520 78 2HB SER 12 HB1 SER 12 8.660 2.636 2.922 79 HG SER 12 HG SER 12 9.389 4.828 3.403 80 H LEU 13 HN LEU 13 7.932 1.522 -0.178 81 HA LEU 13 HA LEU 13 5.913 -0.266 -0.271 82 1HB LEU 13 HB2 LEU 13 8.802 -1.074 -0.049 83 2HB LEU 13 HB1 LEU 13 7.518 -2.001 -0.777 84 HG LEU 13 HG LEU 13 8.343 -1.154 -2.678 85 1HD1 LEU 13 HD11 LEU 13 6.873 1.367 -1.911 86 2HD1 LEU 13 HD12 LEU 13 6.061 -0.135 -2.354 87 3HD1 LEU 13 HD13 LEU 13 7.110 0.672 -3.496 88 1HD2 LEU 13 HD21 LEU 13 9.440 1.056 -0.969 89 2HD2 LEU 13 HD22 LEU 13 9.426 1.203 -2.721 90 3HD2 LEU 13 HD23 LEU 13 10.281 -0.126 -1.953 91 H TYR 14 HN TYR 14 8.280 0.003 2.299 92 HA TYR 14 HA TYR 14 7.725 -2.280 3.737 93 1HB TYR 14 HB2 TYR 14 9.492 -0.658 4.327 94 2HB TYR 14 HB1 TYR 14 8.263 0.494 4.845 95 HD1 TYR 14 HD1 TYR 14 8.707 -3.182 5.440 96 HD2 TYR 14 HD2 TYR 14 8.390 0.703 7.159 97 HE1 TYR 14 HE1 TYR 14 8.766 -4.175 7.683 98 HE2 TYR 14 HE2 TYR 14 8.451 -0.284 9.408 99 HH TYR 14 HH TYR 14 9.554 -2.886 10.249 100 H GLN 15 HN GLN 15 5.956 0.741 3.548 101 HA GLN 15 HA GLN 15 3.959 -0.076 5.472 102 1HB GLN 15 HB2 GLN 15 3.917 2.293 3.586 103 2HB GLN 15 HB1 GLN 15 2.925 2.046 5.022 104 1HG GLN 15 HG2 GLN 15 5.403 1.904 6.109 105 2HG GLN 15 HG1 GLN 15 5.710 2.974 4.741 106 1HE2 GLN 15 HE21 GLN 15 5.712 5.015 5.419 107 2HE2 GLN 15 HE22 GLN 15 4.589 5.693 6.543 108 H LEU 16 HN LEU 16 4.398 0.151 1.997 109 HA LEU 16 HA LEU 16 1.750 -0.376 1.249 110 1HB LEU 16 HB2 LEU 16 3.900 0.375 -0.119 111 2HB LEU 16 HB1 LEU 16 4.022 -1.348 -0.429 112 HG LEU 16 HG LEU 16 1.566 -1.175 -1.227 113 1HD1 LEU 16 HD11 LEU 16 2.330 1.713 -1.003 114 2HD1 LEU 16 HD12 LEU 16 0.843 0.886 -0.508 115 3HD1 LEU 16 HD13 LEU 16 1.183 1.150 -2.204 116 1HD2 LEU 16 HD21 LEU 16 2.258 -0.594 -3.452 117 2HD2 LEU 16 HD22 LEU 16 3.533 -1.517 -2.664 118 3HD2 LEU 16 HD23 LEU 16 3.698 0.225 -2.837 119 H GLU 17 HN GLU 17 4.215 -2.357 2.605 120 HA GLU 17 HA GLU 17 3.276 -4.848 1.592 121 1HB GLU 17 HB2 GLU 17 5.609 -4.390 2.393 122 2HB GLU 17 HB1 GLU 17 4.984 -4.351 4.036 123 1HG GLU 17 HG2 GLU 17 4.042 -6.768 3.028 124 2HG GLU 17 HG1 GLU 17 5.629 -6.599 2.303 125 H ASN 18 HN ASN 18 2.111 -2.682 3.923 126 HA ASN 18 HA ASN 18 0.956 -4.667 5.671 127 1HB ASN 18 HB2 ASN 18 1.754 -2.223 6.232 128 2HB ASN 18 HB1 ASN 18 0.149 -1.764 5.676 129 1HD2 ASN 18 HD21 ASN 18 1.885 -3.850 7.948 130 2HD2 ASN 18 HD22 ASN 18 0.629 -3.875 9.133 131 H TYR 19 HN TYR 19 0.224 -4.049 2.612 132 HA TYR 19 HA TYR 19 -2.692 -4.026 3.018 133 1HB TYR 19 HB2 TYR 19 -1.058 -3.282 0.597 134 2HB TYR 19 HB1 TYR 19 -2.810 -3.296 0.661 135 HD1 TYR 19 HD1 TYR 19 -0.028 -1.231 0.846 136 HD2 TYR 19 HD2 TYR 19 -3.797 -1.867 2.714 137 HE1 TYR 19 HE1 TYR 19 -0.020 1.079 1.649 138 HE2 TYR 19 HE2 TYR 19 -3.802 0.458 3.503 139 HH TYR 19 HH TYR 19 -2.147 2.803 2.332 140 H CYS 20 HN CYS 20 -0.142 -6.075 2.427 141 HA CYS 20 HA CYS 20 -1.153 -7.698 0.357 142 1HB CYS 20 HB2 CYS 20 0.630 -8.800 2.505 143 2HB CYS 20 HB1 CYS 20 0.563 -9.137 0.793 144 H ASN 21 HN ASN 21 -2.755 -9.162 0.407 145 HA ASN 21 HA ASN 21 -3.484 -10.560 2.823 146 1HB ASN 21 HB2 ASN 21 -4.935 -8.711 3.098 147 2HB ASN 21 HB1 ASN 21 -5.295 -8.621 1.378 148 1HD2 ASN 21 HD21 ASN 21 -6.518 -10.457 0.445 149 2HD2 ASN 21 HD22 ASN 21 -7.687 -11.230 1.449 150 1H PHE 1 HT1 PHE 1 11.758 2.907 -3.530 151 2H PHE 1 HT2 PHE 1 10.599 3.955 -4.233 152 3H PHE 1 HT3 PHE 1 11.980 4.592 -3.438 153 HA PHE 1 HA PHE 1 13.309 3.281 -5.077 154 1HB PHE 1 HB2 PHE 1 10.835 3.599 -6.775 155 2HB PHE 1 HB1 PHE 1 12.293 2.669 -7.103 156 HD1 PHE 1 HD1 PHE 1 8.981 2.287 -6.453 157 HD2 PHE 1 HD2 PHE 1 12.748 0.891 -5.029 158 HE1 PHE 1 HE1 PHE 1 7.900 0.257 -5.588 159 HE2 PHE 1 HE2 PHE 1 11.669 -1.139 -4.163 160 HZ PHE 1 HZ PHE 1 9.245 -1.464 -4.452 161 H VAL 2 HN VAL 2 10.783 5.747 -5.237 162 HA VAL 2 HA VAL 2 12.723 7.804 -5.814 163 HB VAL 2 HB VAL 2 11.425 8.586 -7.876 164 1HG1 VAL 2 HG11 VAL 2 12.772 7.447 -9.340 165 2HG1 VAL 2 HG12 VAL 2 12.773 5.969 -8.389 166 3HG1 VAL 2 HG13 VAL 2 13.678 7.383 -7.834 167 1HG2 VAL 2 HG21 VAL 2 9.441 7.164 -7.517 168 2HG2 VAL 2 HG22 VAL 2 10.427 5.739 -7.848 169 3HG2 VAL 2 HG23 VAL 2 10.161 6.942 -9.108 170 H ASN 3 HN ASN 3 11.288 9.915 -6.419 171 HA ASN 3 HA ASN 3 9.619 10.279 -4.108 172 1HB ASN 3 HB2 ASN 3 11.193 11.962 -5.559 173 2HB ASN 3 HB1 ASN 3 9.634 12.372 -6.249 174 1HD2 ASN 3 HD21 ASN 3 10.780 11.532 -2.965 175 2HD2 ASN 3 HD22 ASN 3 10.105 12.934 -2.226 176 H GLN 4 HN GLN 4 8.349 8.360 -5.182 177 HA GLN 4 HA GLN 4 6.453 9.050 -7.192 178 1HB GLN 4 HB2 GLN 4 5.510 6.817 -6.719 179 2HB GLN 4 HB1 GLN 4 7.242 6.793 -6.953 180 1HG GLN 4 HG2 GLN 4 7.351 6.930 -4.373 181 2HG GLN 4 HG1 GLN 4 5.705 6.381 -4.428 182 1HE2 GLN 4 HE21 GLN 4 8.247 5.170 -3.445 183 2HE2 GLN 4 HE22 GLN 4 8.359 3.658 -4.272 184 H ALA 5 HN ALA 5 4.090 7.924 -6.232 185 HA ALA 5 HA ALA 5 3.278 9.590 -3.957 186 1HB ALA 5 HB1 ALA 5 1.821 9.442 -6.588 187 2HB ALA 5 HB2 ALA 5 2.743 10.822 -5.995 188 3HB ALA 5 HB3 ALA 5 1.287 10.309 -5.145 189 H LEU 6 HN LEU 6 2.327 7.084 -6.268 190 HA LEU 6 HA LEU 6 1.339 5.100 -6.016 191 1HB LEU 6 HB2 LEU 6 2.027 5.664 -3.170 192 2HB LEU 6 HB1 LEU 6 0.855 4.424 -3.482 193 HG LEU 6 HG LEU 6 3.275 3.714 -3.240 194 1HD1 LEU 6 HD11 LEU 6 2.019 1.998 -4.037 195 2HD1 LEU 6 HD12 LEU 6 2.984 2.297 -5.474 196 3HD1 LEU 6 HD13 LEU 6 1.365 2.947 -5.370 197 1HD2 LEU 6 HD21 LEU 6 4.744 3.993 -5.031 198 2HD2 LEU 6 HD22 LEU 6 4.086 5.594 -4.734 199 3HD2 LEU 6 HD23 LEU 6 3.512 4.648 -6.100 200 H CYS 7 HN CYS 7 -0.411 6.221 -7.030 201 HA CYS 7 HA CYS 7 -2.812 6.143 -5.348 202 1HB CYS 7 HB2 CYS 7 -1.778 8.546 -5.944 203 2HB CYS 7 HB1 CYS 7 -2.672 8.292 -7.432 204 H GLY 8 HN GLY 8 -4.582 5.275 -6.333 205 1HA GLY 8 HA2 GLY 8 -5.866 4.301 -7.961 206 2HA GLY 8 HA1 GLY 8 -4.875 5.096 -9.159 207 H SER 9 HN SER 9 -3.927 3.710 -10.500 208 HA SER 9 HA SER 9 -3.661 0.922 -9.854 209 1HB SER 9 HB2 SER 9 -3.197 2.627 -12.249 210 2HB SER 9 HB1 SER 9 -2.293 1.117 -12.165 211 HG SER 9 HG SER 9 -5.081 1.502 -12.223 212 H ASP 10 HN ASP 10 -1.603 3.719 -9.683 213 HA ASP 10 HA ASP 10 0.918 2.603 -9.864 214 1HB ASP 10 HB2 ASP 10 -0.255 4.980 -8.557 215 2HB ASP 10 HB1 ASP 10 1.262 4.457 -7.866 216 H LEU 11 HN LEU 11 -1.451 2.227 -7.352 217 HA LEU 11 HA LEU 11 0.355 1.262 -5.362 218 1HB LEU 11 HB2 LEU 11 -2.603 1.245 -5.710 219 2HB LEU 11 HB1 LEU 11 -1.866 0.340 -4.402 220 HG LEU 11 HG LEU 11 -1.181 3.247 -4.714 221 1HD1 LEU 11 HD11 LEU 11 -3.660 2.257 -3.317 222 2HD1 LEU 11 HD12 LEU 11 -3.647 3.059 -4.891 223 3HD1 LEU 11 HD13 LEU 11 -3.081 3.915 -3.465 224 1HD2 LEU 11 HD21 LEU 11 0.026 2.511 -2.978 225 2HD2 LEU 11 HD22 LEU 11 -1.029 1.148 -2.620 226 3HD2 LEU 11 HD23 LEU 11 -1.457 2.766 -2.079 227 H VAL 12 HN VAL 12 -2.269 -0.504 -6.965 228 HA VAL 12 HA VAL 12 -1.586 -3.042 -6.370 229 HB VAL 12 HB VAL 12 -2.425 -3.693 -8.694 230 1HG1 VAL 12 HG11 VAL 12 -3.774 -3.063 -6.475 231 2HG1 VAL 12 HG12 VAL 12 -4.547 -3.536 -7.980 232 3HG1 VAL 12 HG13 VAL 12 -4.425 -1.833 -7.556 233 1HG2 VAL 12 HG21 VAL 12 -2.770 -0.707 -8.919 234 2HG2 VAL 12 HG22 VAL 12 -3.465 -1.896 -9.996 235 3HG2 VAL 12 HG23 VAL 12 -1.731 -1.714 -9.917 236 H GLU 13 HN GLU 13 -0.112 -1.108 -8.953 237 HA GLU 13 HA GLU 13 1.550 -3.084 -9.972 238 1HB GLU 13 HB2 GLU 13 1.745 -0.115 -9.935 239 2HB GLU 13 HB1 GLU 13 2.967 -1.112 -10.717 240 1HG GLU 13 HG2 GLU 13 0.706 -2.098 -11.857 241 2HG GLU 13 HG1 GLU 13 0.229 -0.438 -11.548 242 H ALA 14 HN ALA 14 2.141 -0.622 -7.538 243 HA ALA 14 HA ALA 14 4.748 -1.735 -6.904 244 1HB ALA 14 HB1 ALA 14 5.056 0.102 -5.532 245 2HB ALA 14 HB2 ALA 14 3.333 0.312 -5.247 246 3HB ALA 14 HB3 ALA 14 4.025 0.748 -6.808 247 H LEU 15 HN LEU 15 1.586 -2.518 -6.104 248 HA LEU 15 HA LEU 15 2.141 -3.356 -3.440 249 1HB LEU 15 HB2 LEU 15 -0.163 -2.589 -4.805 250 2HB LEU 15 HB1 LEU 15 -0.390 -4.269 -4.450 251 HG LEU 15 HG LEU 15 -0.137 -1.938 -2.597 252 1HD1 LEU 15 HD11 LEU 15 -2.316 -2.380 -2.734 253 2HD1 LEU 15 HD12 LEU 15 -1.968 -3.641 -1.563 254 3HD1 LEU 15 HD13 LEU 15 -2.082 -4.019 -3.270 255 1HD2 LEU 15 HD21 LEU 15 1.495 -3.279 -1.588 256 2HD2 LEU 15 HD22 LEU 15 0.658 -4.759 -2.018 257 3HD2 LEU 15 HD23 LEU 15 0.028 -3.738 -0.754 258 H TYR 16 HN TYR 16 0.778 -5.013 -6.310 259 HA TYR 16 HA TYR 16 1.142 -7.574 -5.249 260 1HB TYR 16 HB2 TYR 16 1.006 -8.396 -7.609 261 2HB TYR 16 HB1 TYR 16 -0.288 -7.367 -7.090 262 HD1 TYR 16 HD1 TYR 16 -1.140 -6.133 -8.802 263 HD2 TYR 16 HD2 TYR 16 3.062 -6.724 -8.630 264 HE1 TYR 16 HE1 TYR 16 -0.863 -4.782 -10.828 265 HE2 TYR 16 HE2 TYR 16 3.347 -5.348 -10.633 266 HH TYR 16 HH TYR 16 1.419 -4.803 -12.759 267 H LEU 17 HN LEU 17 3.459 -5.378 -6.581 268 HA LEU 17 HA LEU 17 5.401 -7.453 -7.105 269 1HB LEU 17 HB2 LEU 17 5.082 -4.687 -7.760 270 2HB LEU 17 HB1 LEU 17 6.609 -4.863 -6.938 271 HG LEU 17 HG LEU 17 7.377 -6.460 -8.565 272 1HD1 LEU 17 HD11 LEU 17 4.741 -6.179 -9.938 273 2HD1 LEU 17 HD12 LEU 17 5.174 -7.575 -8.994 274 3HD1 LEU 17 HD13 LEU 17 6.068 -7.172 -10.444 275 1HD2 LEU 17 HD21 LEU 17 7.428 -5.046 -10.549 276 2HD2 LEU 17 HD22 LEU 17 7.646 -4.087 -9.087 277 3HD2 LEU 17 HD23 LEU 17 6.088 -4.088 -9.916 278 H VAL 18 HN VAL 18 4.675 -5.186 -4.545 279 HA VAL 18 HA VAL 18 7.085 -5.709 -3.064 280 HB VAL 18 HB VAL 18 5.823 -4.634 -1.140 281 1HG1 VAL 18 HG11 VAL 18 7.276 -3.287 -2.382 282 2HG1 VAL 18 HG12 VAL 18 5.781 -2.365 -2.247 283 3HG1 VAL 18 HG13 VAL 18 6.187 -3.196 -3.752 284 1HG2 VAL 18 HG21 VAL 18 3.763 -4.231 -3.233 285 2HG2 VAL 18 HG22 VAL 18 3.747 -3.458 -1.690 286 3HG2 VAL 18 HG23 VAL 18 3.567 -5.180 -1.809 287 H CYS 19 HN CYS 19 3.751 -6.907 -2.952 288 HA CYS 19 HA CYS 19 4.319 -8.628 -0.685 289 1HB CYS 19 HB2 CYS 19 1.854 -8.596 -2.440 290 2HB CYS 19 HB1 CYS 19 2.029 -9.247 -0.834 291 H GLY 20 HN GLY 20 3.102 -9.245 -3.997 292 1HA GLY 20 HA2 GLY 20 3.448 -10.990 -5.414 293 2HA GLY 20 HA1 GLY 20 5.019 -11.174 -4.653 294 H GLU 21 HN GLU 21 2.112 -12.682 -5.244 295 HA GLU 21 HA GLU 21 1.473 -14.798 -4.746 296 1HB GLU 21 HB2 GLU 21 4.035 -14.852 -3.735 297 2HB GLU 21 HB1 GLU 21 3.088 -15.213 -2.300 298 1HG GLU 21 HG2 GLU 21 2.392 -17.213 -3.120 299 2HG GLU 21 HG1 GLU 21 2.463 -16.698 -4.805 300 H ARG 22 HN ARG 22 1.508 -12.186 -2.528 301 HA ARG 22 HA ARG 22 -0.140 -13.409 -0.533 302 1HB ARG 22 HB2 ARG 22 0.950 -10.703 -1.078 303 2HB ARG 22 HB1 ARG 22 -0.493 -10.770 -0.103 304 1HG ARG 22 HG2 ARG 22 0.880 -11.020 1.624 305 2HG ARG 22 HG1 ARG 22 1.021 -12.686 1.105 306 1HD ARG 22 HD2 ARG 22 2.966 -11.986 -0.321 307 2HD ARG 22 HD1 ARG 22 2.883 -10.412 0.469 308 HE ARG 22 HE ARG 22 3.007 -12.242 2.516 309 1HH1 ARG 22 HH11 ARG 22 5.024 -11.355 -0.222 310 2HH1 ARG 22 HH12 ARG 22 6.484 -11.803 0.574 311 1HH2 ARG 22 HH21 ARG 22 4.952 -12.820 3.546 312 2HH2 ARG 22 HH22 ARG 22 6.456 -12.631 2.706 313 H GLY 23 HN GLY 23 -0.778 -10.761 -2.857 314 1HA GLY 23 HA2 GLY 23 -2.739 -11.127 -4.332 315 2HA GLY 23 HA1 GLY 23 -3.620 -11.646 -2.907 316 H PHE 24 HN PHE 24 -2.111 -9.466 -1.371 317 HA PHE 24 HA PHE 24 -2.741 -7.466 -0.545 318 1HB PHE 24 HB2 PHE 24 -2.458 -5.621 -2.003 319 2HB PHE 24 HB1 PHE 24 -1.232 -6.810 -2.360 320 HD1 PHE 24 HD1 PHE 24 -1.391 -8.175 -4.425 321 HD2 PHE 24 HD2 PHE 24 -4.082 -4.962 -3.637 322 HE1 PHE 24 HE1 PHE 24 -2.050 -8.142 -6.790 323 HE2 PHE 24 HE2 PHE 24 -4.729 -4.928 -6.005 324 HZ PHE 24 HZ PHE 24 -3.703 -6.507 -7.591 325 H PHE 25 HN PHE 25 -4.289 -5.514 -0.752 326 HA PHE 25 HA PHE 25 -6.923 -6.577 -1.534 327 1HB PHE 25 HB2 PHE 25 -6.213 -6.208 1.012 328 2HB PHE 25 HB1 PHE 25 -6.715 -4.567 0.692 329 HD1 PHE 25 HD1 PHE 25 -8.763 -4.254 1.712 330 HD2 PHE 25 HD2 PHE 25 -8.058 -7.868 -0.440 331 HE1 PHE 25 HE1 PHE 25 -11.091 -4.940 2.097 332 HE2 PHE 25 HE2 PHE 25 -10.381 -8.549 -0.061 333 HZ PHE 25 HZ PHE 25 -11.904 -7.090 1.211 334 H TYR 26 HN TYR 26 -6.014 -3.311 -0.413 335 HA TYR 26 HA TYR 26 -6.652 -1.311 -1.264 336 1HB TYR 26 HB2 TYR 26 -4.594 -1.499 -2.408 337 2HB TYR 26 HB1 TYR 26 -5.261 -2.654 -3.560 338 HD1 TYR 26 HD1 TYR 26 -4.651 -1.427 -5.526 339 HD2 TYR 26 HD2 TYR 26 -6.980 0.466 -2.528 340 HE1 TYR 26 HE1 TYR 26 -5.158 0.388 -7.092 341 HE2 TYR 26 HE2 TYR 26 -7.491 2.292 -4.069 342 HH TYR 26 HH TYR 26 -6.129 3.259 -6.283 343 H THR 27 HN THR 27 -8.957 -1.683 -1.069 344 HA THR 27 HA THR 27 -10.275 -2.111 -3.692 345 HB THR 27 HB THR 27 -12.112 -3.098 -2.597 346 HG1 THR 27 HG1 THR 27 -12.534 -2.879 -0.503 347 1HG2 THR 27 HG21 THR 27 -10.184 -4.612 -2.771 348 2HG2 THR 27 HG22 THR 27 -11.227 -4.984 -1.398 349 3HG2 THR 27 HG23 THR 27 -9.699 -4.148 -1.141 350 H LYS 28 HN LYS 28 -12.140 -0.893 -4.137 351 HA LYS 28 HA LYS 28 -11.941 1.831 -3.664 352 1HB LYS 28 HB2 LYS 28 -13.796 0.029 -4.949 353 2HB LYS 28 HB1 LYS 28 -14.706 1.268 -4.129 354 1HG LYS 28 HG2 LYS 28 -13.575 3.000 -5.381 355 2HG LYS 28 HG1 LYS 28 -12.435 1.834 -6.014 356 1HD LYS 28 HD2 LYS 28 -13.820 1.933 -7.784 357 2HD LYS 28 HD1 LYS 28 -14.632 0.643 -6.901 358 1HE LYS 28 HE2 LYS 28 -15.469 3.423 -6.234 359 2HE LYS 28 HE1 LYS 28 -15.857 2.846 -7.850 360 1HZ LYS 28 HZ1 LYS 28 -16.588 1.462 -5.328 361 2HZ LYS 28 HZ2 LYS 28 -16.982 0.949 -6.893 362 3HZ LYS 28 HZ3 LYS 28 -17.630 2.388 -6.287 363 HA PRO 29 HA PRO 29 -13.849 3.202 0.062 364 1HB PRO 29 HB2 PRO 29 -16.452 3.737 -1.341 365 2HB PRO 29 HB1 PRO 29 -15.523 4.759 -0.235 366 1HG PRO 29 HG2 PRO 29 -15.464 5.185 -2.856 367 2HG PRO 29 HG1 PRO 29 -14.002 5.370 -1.869 368 1HD PRO 29 HD2 PRO 29 -14.782 3.226 -3.732 369 2HD PRO 29 HD1 PRO 29 -13.155 3.840 -3.379 370 H THR 30 HN THR 30 -14.204 1.612 1.497 371 HA THR 30 HA THR 30 -15.837 -0.646 1.039 372 HB THR 30 HB THR 30 -15.575 -0.185 3.872 373 HG1 THR 30 HG1 THR 30 -13.586 0.529 4.103 374 1HG2 THR 30 HG21 THR 30 -14.024 -2.021 3.807 375 2HG2 THR 30 HG22 THR 30 -13.922 -1.905 2.050 376 3HG2 THR 30 HG23 THR 30 -15.440 -2.374 2.817 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -10.008 2.608 4.515 2 2H GLY 1 HT2 GLY 1 -9.072 1.201 4.557 3 3H GLY 1 HT3 GLY 1 -9.458 1.918 3.072 4 1HA GLY 1 HA1 GLY 1 -8.168 3.881 3.652 5 2HA GLY 1 HA2 GLY 1 -7.759 3.128 5.187 6 H ILE 2 HN ILE 2 -6.352 3.928 2.483 7 HA ILE 2 HA ILE 2 -4.199 2.226 2.720 8 HB ILE 2 HB ILE 2 -5.529 0.413 1.866 9 1HG1 ILE 2 HG12 ILE 2 -3.138 1.021 0.805 10 2HG1 ILE 2 HG11 ILE 2 -4.056 -0.380 0.313 11 1HG2 ILE 2 HG21 ILE 2 -6.686 0.548 -0.280 12 2HG2 ILE 2 HG22 ILE 2 -6.263 2.225 -0.407 13 3HG2 ILE 2 HG23 ILE 2 -7.314 1.705 0.874 14 1HD1 ILE 2 HD11 ILE 2 -3.276 0.617 -1.615 15 2HD1 ILE 2 HD12 ILE 2 -3.668 2.237 -1.087 16 3HD1 ILE 2 HD13 ILE 2 -4.943 1.119 -1.552 17 H VAL 3 HN VAL 3 -6.113 3.981 0.331 18 HA VAL 3 HA VAL 3 -3.684 4.930 -0.974 19 HB VAL 3 HB VAL 3 -6.483 5.773 -1.718 20 1HG1 VAL 3 HG11 VAL 3 -5.138 5.561 -4.017 21 2HG1 VAL 3 HG12 VAL 3 -3.772 5.832 -2.939 22 3HG1 VAL 3 HG13 VAL 3 -5.092 6.991 -3.002 23 1HG2 VAL 3 HG21 VAL 3 -6.194 3.811 -3.431 24 2HG2 VAL 3 HG22 VAL 3 -6.857 3.535 -1.839 25 3HG2 VAL 3 HG23 VAL 3 -5.205 3.136 -2.159 26 H GLU 4 HN GLU 4 -6.443 6.188 0.858 27 HA GLU 4 HA GLU 4 -6.094 8.883 0.645 28 1HB GLU 4 HB2 GLU 4 -6.735 7.333 3.161 29 2HB GLU 4 HB1 GLU 4 -6.983 9.066 2.960 30 1HG GLU 4 HG2 GLU 4 -8.353 8.140 0.819 31 2HG GLU 4 HG1 GLU 4 -8.526 6.775 1.923 32 H GLN 5 HN GLN 5 -4.163 6.656 2.592 33 HA GLN 5 HA GLN 5 -2.567 8.847 3.673 34 1HB GLN 5 HB2 GLN 5 -3.346 6.609 4.838 35 2HB GLN 5 HB1 GLN 5 -1.893 5.954 4.098 36 1HG GLN 5 HG2 GLN 5 -0.491 7.212 5.385 37 2HG GLN 5 HG1 GLN 5 -1.667 8.500 5.642 38 1HE2 GLN 5 HE21 GLN 5 -3.163 8.319 7.304 39 2HE2 GLN 5 HE22 GLN 5 -3.026 7.109 8.529 40 H CYS 6 HN CYS 6 -2.088 5.979 1.616 41 HA CYS 6 HA CYS 6 0.642 6.529 1.120 42 1HB CYS 6 HB2 CYS 6 -1.378 4.766 -0.264 43 2HB CYS 6 HB1 CYS 6 0.281 4.852 -0.779 44 H CYS 7 HN CYS 7 -2.258 7.656 -0.369 45 HA CYS 7 HA CYS 7 -0.892 8.635 -2.737 46 1HB CYS 7 HB2 CYS 7 -3.141 7.808 -2.972 47 2HB CYS 7 HB1 CYS 7 -3.750 8.945 -1.796 48 H THR 8 HN THR 8 -2.757 10.124 -0.086 49 HA THR 8 HA THR 8 -2.360 12.772 -0.597 50 HB THR 8 HB THR 8 -3.635 11.813 1.306 51 HG1 THR 8 HG1 THR 8 -3.370 13.962 1.462 52 1HG2 THR 8 HG21 THR 8 -1.052 11.752 2.835 53 2HG2 THR 8 HG22 THR 8 -1.791 10.325 2.123 54 3HG2 THR 8 HG23 THR 8 -2.648 11.226 3.346 55 H SER 9 HN SER 9 -0.110 10.625 1.120 56 HA SER 9 HA SER 9 2.038 12.605 0.697 57 1HB SER 9 HB2 SER 9 1.184 11.983 3.128 58 2HB SER 9 HB1 SER 9 2.205 10.567 2.890 59 HG SER 9 HG SER 9 2.922 13.295 2.942 60 H ILE 10 HN ILE 10 4.160 11.004 1.403 61 HA ILE 10 HA ILE 10 4.261 9.216 -0.918 62 HB ILE 10 HB ILE 10 6.723 9.587 0.707 63 1HG1 ILE 10 HG12 ILE 10 5.945 11.830 0.942 64 2HG1 ILE 10 HG11 ILE 10 7.127 11.834 -0.354 65 1HG2 ILE 10 HG21 ILE 10 6.161 9.871 -2.238 66 2HG2 ILE 10 HG22 ILE 10 6.660 8.375 -1.425 67 3HG2 ILE 10 HG23 ILE 10 7.723 9.769 -1.440 68 1HD1 ILE 10 HD11 ILE 10 4.711 11.421 -1.675 69 2HD1 ILE 10 HD12 ILE 10 5.630 12.913 -1.552 70 3HD1 ILE 10 HD13 ILE 10 4.345 12.587 -0.401 71 H CYS 11 HN CYS 11 3.591 7.201 -0.489 72 HA CYS 11 HA CYS 11 3.929 6.078 2.157 73 1HB CYS 11 HB2 CYS 11 2.118 5.670 0.105 74 2HB CYS 11 HB1 CYS 11 3.048 4.202 0.073 75 H SER 12 HN SER 12 5.389 4.624 2.813 76 HA SER 12 HA SER 12 7.575 3.965 0.982 77 1HB SER 12 HB2 SER 12 7.290 3.433 3.950 78 2HB SER 12 HB1 SER 12 8.743 3.195 2.984 79 HG SER 12 HG SER 12 8.865 5.177 4.013 80 H LEU 13 HN LEU 13 7.778 2.021 0.069 81 HA LEU 13 HA LEU 13 5.843 0.133 -0.156 82 1HB LEU 13 HB2 LEU 13 8.805 0.006 -0.373 83 2HB LEU 13 HB1 LEU 13 7.917 -1.488 -0.493 84 HG LEU 13 HG LEU 13 6.720 -0.730 -2.420 85 1HD1 LEU 13 HD11 LEU 13 7.878 1.955 -1.780 86 2HD1 LEU 13 HD12 LEU 13 6.192 1.490 -1.856 87 3HD1 LEU 13 HD13 LEU 13 7.141 1.565 -3.326 88 1HD2 LEU 13 HD21 LEU 13 8.894 -1.572 -2.923 89 2HD2 LEU 13 HD22 LEU 13 9.649 -0.026 -2.590 90 3HD2 LEU 13 HD23 LEU 13 8.540 -0.217 -3.948 91 H TYR 14 HN TYR 14 8.235 0.343 2.394 92 HA TYR 14 HA TYR 14 7.879 -2.131 3.593 93 1HB TYR 14 HB2 TYR 14 9.617 -0.606 4.325 94 2HB TYR 14 HB1 TYR 14 8.415 0.572 4.846 95 HD1 TYR 14 HD1 TYR 14 8.504 -3.123 5.409 96 HD2 TYR 14 HD2 TYR 14 8.767 0.754 7.160 97 HE1 TYR 14 HE1 TYR 14 8.504 -4.135 7.641 98 HE2 TYR 14 HE2 TYR 14 8.772 -0.257 9.398 99 HH TYR 14 HH TYR 14 9.544 -3.006 10.177 100 H GLN 15 HN GLN 15 5.934 0.784 3.727 101 HA GLN 15 HA GLN 15 4.097 -0.298 5.680 102 1HB GLN 15 HB2 GLN 15 3.820 2.200 3.990 103 2HB GLN 15 HB1 GLN 15 2.906 1.780 5.438 104 1HG GLN 15 HG2 GLN 15 5.282 1.749 6.558 105 2HG GLN 15 HG1 GLN 15 5.718 2.728 5.161 106 1HE2 GLN 15 HE21 GLN 15 3.205 2.504 7.669 107 2HE2 GLN 15 HE22 GLN 15 3.080 4.210 7.909 108 H LEU 16 HN LEU 16 4.343 0.150 2.213 109 HA LEU 16 HA LEU 16 1.694 -0.411 1.552 110 1HB LEU 16 HB2 LEU 16 3.757 0.431 0.125 111 2HB LEU 16 HB1 LEU 16 3.925 -1.276 -0.242 112 HG LEU 16 HG LEU 16 1.507 -1.179 -1.001 113 1HD1 LEU 16 HD11 LEU 16 1.990 1.763 -0.871 114 2HD1 LEU 16 HD12 LEU 16 0.841 0.855 0.103 115 3HD1 LEU 16 HD13 LEU 16 0.606 0.978 -1.631 116 1HD2 LEU 16 HD21 LEU 16 2.067 -0.548 -3.170 117 2HD2 LEU 16 HD22 LEU 16 3.571 -1.116 -2.443 118 3HD2 LEU 16 HD23 LEU 16 3.276 0.603 -2.597 119 H GLU 17 HN GLU 17 4.238 -2.427 2.703 120 HA GLU 17 HA GLU 17 3.257 -4.884 1.617 121 1HB GLU 17 HB2 GLU 17 5.633 -4.340 2.438 122 2HB GLU 17 HB1 GLU 17 5.011 -4.604 4.062 123 1HG GLU 17 HG2 GLU 17 4.163 -6.860 2.818 124 2HG GLU 17 HG1 GLU 17 5.619 -6.509 1.894 125 H ASN 18 HN ASN 18 2.202 -2.843 4.122 126 HA ASN 18 HA ASN 18 1.139 -4.910 5.817 127 1HB ASN 18 HB2 ASN 18 1.923 -2.546 6.505 128 2HB ASN 18 HB1 ASN 18 0.362 -1.990 5.911 129 1HD2 ASN 18 HD21 ASN 18 -1.166 -1.871 7.421 130 2HD2 ASN 18 HD22 ASN 18 -1.224 -2.820 8.862 131 H TYR 19 HN TYR 19 0.229 -3.966 2.814 132 HA TYR 19 HA TYR 19 -2.655 -4.030 3.358 133 1HB TYR 19 HB2 TYR 19 -1.099 -3.314 0.909 134 2HB TYR 19 HB1 TYR 19 -2.843 -3.353 0.959 135 HD1 TYR 19 HD1 TYR 19 -3.867 -1.911 2.980 136 HD2 TYR 19 HD2 TYR 19 -0.077 -1.242 1.172 137 HE1 TYR 19 HE1 TYR 19 -3.903 0.414 3.763 138 HE2 TYR 19 HE2 TYR 19 -0.100 1.064 1.961 139 HH TYR 19 HH TYR 19 -1.559 2.262 4.175 140 H CYS 20 HN CYS 20 -0.043 -5.970 2.130 141 HA CYS 20 HA CYS 20 -1.509 -7.659 0.466 142 1HB CYS 20 HB2 CYS 20 0.332 -9.129 0.507 143 2HB CYS 20 HB1 CYS 20 0.903 -7.494 0.516 144 H ASN 21 HN ASN 21 -2.439 -9.696 0.788 145 HA ASN 21 HA ASN 21 -3.676 -10.024 3.372 146 1HB ASN 21 HB2 ASN 21 -4.811 -11.947 2.334 147 2HB ASN 21 HB1 ASN 21 -4.936 -10.495 1.345 148 1HD2 ASN 21 HD21 ASN 21 -5.362 -11.760 -0.499 149 2HD2 ASN 21 HD22 ASN 21 -4.115 -12.666 -1.267 150 1H PHE 1 HT1 PHE 1 9.250 1.375 -3.468 151 2H PHE 1 HT2 PHE 1 9.385 2.793 -4.322 152 3H PHE 1 HT3 PHE 1 9.282 2.805 -2.629 153 HA PHE 1 HA PHE 1 11.291 1.606 -2.432 154 1HB PHE 1 HB2 PHE 1 11.892 2.219 -5.311 155 2HB PHE 1 HB1 PHE 1 12.615 1.024 -4.238 156 HD1 PHE 1 HD1 PHE 1 9.504 1.833 -6.107 157 HD2 PHE 1 HD2 PHE 1 11.886 -1.205 -4.298 158 HE1 PHE 1 HE1 PHE 1 8.037 0.118 -7.064 159 HE2 PHE 1 HE2 PHE 1 10.423 -2.925 -5.266 160 HZ PHE 1 HZ PHE 1 8.495 -2.264 -6.646 161 H VAL 2 HN VAL 2 10.587 4.267 -4.685 162 HA VAL 2 HA VAL 2 12.698 5.896 -3.455 163 HB VAL 2 HB VAL 2 12.511 7.351 -5.307 164 1HG1 VAL 2 HG11 VAL 2 12.886 5.929 -7.207 165 2HG1 VAL 2 HG12 VAL 2 12.103 4.574 -6.394 166 3HG1 VAL 2 HG13 VAL 2 13.625 5.218 -5.775 167 1HG2 VAL 2 HG21 VAL 2 10.344 7.825 -5.797 168 2HG2 VAL 2 HG22 VAL 2 9.805 6.162 -5.607 169 3HG2 VAL 2 HG23 VAL 2 10.626 6.661 -7.083 170 H ASN 3 HN ASN 3 11.576 8.429 -3.945 171 HA ASN 3 HA ASN 3 9.597 8.536 -1.788 172 1HB ASN 3 HB2 ASN 3 11.405 10.572 -3.089 173 2HB ASN 3 HB1 ASN 3 10.062 11.066 -2.061 174 1HD2 ASN 3 HD21 ASN 3 11.669 12.027 -0.700 175 2HD2 ASN 3 HD22 ASN 3 12.525 11.034 0.425 176 H GLN 4 HN GLN 4 8.654 7.450 -4.172 177 HA GLN 4 HA GLN 4 7.287 9.524 -5.655 178 1HB GLN 4 HB2 GLN 4 6.546 7.766 -7.076 179 2HB GLN 4 HB1 GLN 4 8.242 7.511 -6.741 180 1HG GLN 4 HG2 GLN 4 7.275 5.947 -4.826 181 2HG GLN 4 HG1 GLN 4 5.854 5.962 -5.869 182 1HE2 GLN 4 HE21 GLN 4 6.131 3.709 -6.201 183 2HE2 GLN 4 HE22 GLN 4 7.344 3.130 -7.286 184 H ALA 5 HN ALA 5 4.962 9.475 -5.967 185 HA ALA 5 HA ALA 5 3.565 9.128 -3.444 186 1HB ALA 5 HB1 ALA 5 2.533 10.066 -6.122 187 2HB ALA 5 HB2 ALA 5 3.152 11.096 -4.832 188 3HB ALA 5 HB3 ALA 5 1.678 10.162 -4.580 189 H LEU 6 HN LEU 6 1.461 7.993 -3.349 190 HA LEU 6 HA LEU 6 1.372 5.634 -5.143 191 1HB LEU 6 HB2 LEU 6 1.504 5.808 -2.193 192 2HB LEU 6 HB1 LEU 6 0.346 4.673 -2.824 193 HG LEU 6 HG LEU 6 2.713 3.850 -2.239 194 1HD1 LEU 6 HD11 LEU 6 1.589 2.203 -3.272 195 2HD1 LEU 6 HD12 LEU 6 2.681 2.565 -4.598 196 3HD1 LEU 6 HD13 LEU 6 1.052 3.229 -4.602 197 1HD2 LEU 6 HD21 LEU 6 3.362 4.930 -4.973 198 2HD2 LEU 6 HD22 LEU 6 4.422 4.130 -3.833 199 3HD2 LEU 6 HD23 LEU 6 3.832 5.742 -3.475 200 H CYS 7 HN CYS 7 -0.244 6.425 -6.416 201 HA CYS 7 HA CYS 7 -2.894 6.392 -5.164 202 1HB CYS 7 HB2 CYS 7 -1.702 8.790 -5.842 203 2HB CYS 7 HB1 CYS 7 -2.633 8.435 -7.285 204 H GLY 8 HN GLY 8 -4.425 5.386 -6.352 205 1HA GLY 8 HA2 GLY 8 -5.409 4.300 -8.102 206 2HA GLY 8 HA1 GLY 8 -4.325 5.149 -9.189 207 H SER 9 HN SER 9 -3.589 3.549 -10.483 208 HA SER 9 HA SER 9 -3.115 0.898 -9.735 209 1HB SER 9 HB2 SER 9 -2.356 2.611 -12.046 210 2HB SER 9 HB1 SER 9 -1.442 1.120 -11.832 211 HG SER 9 HG SER 9 -3.223 0.691 -13.095 212 H ASP 10 HN ASP 10 -1.144 3.755 -9.359 213 HA ASP 10 HA ASP 10 1.398 2.734 -9.155 214 1HB ASP 10 HB2 ASP 10 -0.015 4.966 -7.746 215 2HB ASP 10 HB1 ASP 10 1.629 4.580 -7.289 216 H LEU 11 HN LEU 11 -1.281 2.301 -6.959 217 HA LEU 11 HA LEU 11 0.298 1.362 -4.770 218 1HB LEU 11 HB2 LEU 11 -2.614 1.194 -5.407 219 2HB LEU 11 HB1 LEU 11 -1.931 0.538 -3.930 220 HG LEU 11 HG LEU 11 -1.417 3.420 -4.584 221 1HD1 LEU 11 HD11 LEU 11 -3.989 2.309 -3.529 222 2HD1 LEU 11 HD12 LEU 11 -3.765 3.263 -4.990 223 3HD1 LEU 11 HD13 LEU 11 -3.501 3.975 -3.415 224 1HD2 LEU 11 HD21 LEU 11 -1.748 3.480 -2.031 225 2HD2 LEU 11 HD22 LEU 11 -0.316 2.706 -2.662 226 3HD2 LEU 11 HD23 LEU 11 -1.637 1.728 -2.113 227 H VAL 12 HN VAL 12 -2.125 -0.407 -6.655 228 HA VAL 12 HA VAL 12 -1.483 -2.945 -5.952 229 HB VAL 12 HB VAL 12 -2.171 -3.642 -8.281 230 1HG1 VAL 12 HG11 VAL 12 -4.121 -3.672 -7.262 231 2HG1 VAL 12 HG12 VAL 12 -4.400 -2.045 -7.851 232 3HG1 VAL 12 HG13 VAL 12 -3.709 -2.292 -6.244 233 1HG2 VAL 12 HG21 VAL 12 -2.396 -0.661 -8.655 234 2HG2 VAL 12 HG22 VAL 12 -3.074 -1.865 -9.727 235 3HG2 VAL 12 HG23 VAL 12 -1.341 -1.752 -9.542 236 H GLU 13 HN GLU 13 0.158 -0.986 -8.409 237 HA GLU 13 HA GLU 13 1.890 -2.972 -9.316 238 1HB GLU 13 HB2 GLU 13 1.903 -0.007 -9.387 239 2HB GLU 13 HB1 GLU 13 3.340 -0.879 -9.888 240 1HG GLU 13 HG2 GLU 13 1.015 -2.007 -11.175 241 2HG GLU 13 HG1 GLU 13 1.037 -0.268 -11.382 242 H ALA 14 HN ALA 14 2.279 -0.497 -6.848 243 HA ALA 14 HA ALA 14 4.900 -1.472 -6.097 244 1HB ALA 14 HB1 ALA 14 4.689 0.182 -4.248 245 2HB ALA 14 HB2 ALA 14 3.059 0.541 -4.831 246 3HB ALA 14 HB3 ALA 14 4.447 0.865 -5.852 247 H LEU 15 HN LEU 15 1.664 -2.230 -5.344 248 HA LEU 15 HA LEU 15 2.074 -3.298 -2.766 249 1HB LEU 15 HB2 LEU 15 -0.109 -2.851 -4.567 250 2HB LEU 15 HB1 LEU 15 -0.275 -4.383 -3.827 251 HG LEU 15 HG LEU 15 -0.414 -1.649 -2.631 252 1HD1 LEU 15 HD11 LEU 15 -2.453 -2.388 -1.817 253 2HD1 LEU 15 HD12 LEU 15 -2.047 -4.076 -2.027 254 3HD1 LEU 15 HD13 LEU 15 -2.372 -3.061 -3.438 255 1HD2 LEU 15 HD21 LEU 15 1.236 -3.139 -1.273 256 2HD2 LEU 15 HD22 LEU 15 -0.204 -4.020 -0.809 257 3HD2 LEU 15 HD23 LEU 15 -0.076 -2.321 -0.486 258 H TYR 16 HN TYR 16 0.853 -5.037 -5.647 259 HA TYR 16 HA TYR 16 1.509 -7.526 -4.670 260 1HB TYR 16 HB2 TYR 16 1.449 -8.340 -7.011 261 2HB TYR 16 HB1 TYR 16 0.062 -7.400 -6.520 262 HD1 TYR 16 HD1 TYR 16 3.423 -6.554 -7.978 263 HD2 TYR 16 HD2 TYR 16 -0.800 -6.192 -8.252 264 HE1 TYR 16 HE1 TYR 16 3.680 -5.164 -9.975 265 HE2 TYR 16 HE2 TYR 16 -0.548 -4.817 -10.266 266 HH TYR 16 HH TYR 16 1.782 -4.713 -12.141 267 H LEU 17 HN LEU 17 3.676 -5.131 -5.825 268 HA LEU 17 HA LEU 17 5.765 -7.069 -6.343 269 1HB LEU 17 HB2 LEU 17 5.277 -4.348 -7.022 270 2HB LEU 17 HB1 LEU 17 6.767 -4.391 -6.121 271 HG LEU 17 HG LEU 17 7.699 -6.006 -7.676 272 1HD1 LEU 17 HD11 LEU 17 5.135 -5.763 -9.190 273 2HD1 LEU 17 HD12 LEU 17 5.583 -7.173 -8.270 274 3HD1 LEU 17 HD13 LEU 17 6.522 -6.692 -9.668 275 1HD2 LEU 17 HD21 LEU 17 6.467 -3.620 -9.059 276 2HD2 LEU 17 HD22 LEU 17 7.832 -4.566 -9.657 277 3HD2 LEU 17 HD23 LEU 17 7.988 -3.643 -8.168 278 H VAL 18 HN VAL 18 4.634 -5.165 -3.692 279 HA VAL 18 HA VAL 18 7.101 -5.384 -2.223 280 HB VAL 18 HB VAL 18 5.601 -4.626 -0.235 281 1HG1 VAL 18 HG11 VAL 18 5.752 -2.278 -0.998 282 2HG1 VAL 18 HG12 VAL 18 6.188 -2.868 -2.603 283 3HG1 VAL 18 HG13 VAL 18 7.222 -3.218 -1.233 284 1HG2 VAL 18 HG21 VAL 18 3.506 -4.025 -0.547 285 2HG2 VAL 18 HG22 VAL 18 3.567 -5.052 -1.940 286 3HG2 VAL 18 HG23 VAL 18 3.797 -3.355 -2.121 287 H CYS 19 HN CYS 19 3.875 -6.983 -1.917 288 HA CYS 19 HA CYS 19 5.141 -8.785 0.005 289 1HB CYS 19 HB2 CYS 19 2.617 -7.791 -0.010 290 2HB CYS 19 HB1 CYS 19 2.345 -9.419 -0.521 291 H GLY 20 HN GLY 20 3.630 -8.968 -3.220 292 1HA GLY 20 HA2 GLY 20 4.860 -10.482 -4.728 293 2HA GLY 20 HA1 GLY 20 4.828 -11.684 -3.457 294 H GLU 21 HN GLU 21 3.551 -13.289 -4.109 295 HA GLU 21 HA GLU 21 1.384 -12.973 -5.959 296 1HB GLU 21 HB2 GLU 21 1.837 -15.341 -4.130 297 2HB GLU 21 HB1 GLU 21 1.005 -15.309 -5.683 298 1HG GLU 21 HG2 GLU 21 3.158 -14.778 -6.775 299 2HG GLU 21 HG1 GLU 21 3.957 -14.926 -5.213 300 H ARG 22 HN ARG 22 1.742 -12.563 -2.630 301 HA ARG 22 HA ARG 22 -0.031 -12.958 -0.971 302 1HB ARG 22 HB2 ARG 22 -0.572 -10.333 -0.950 303 2HB ARG 22 HB1 ARG 22 0.972 -11.012 -0.488 304 1HG ARG 22 HG2 ARG 22 2.029 -10.094 -2.210 305 2HG ARG 22 HG1 ARG 22 0.833 -10.594 -3.333 306 1HD ARG 22 HD2 ARG 22 0.304 -8.536 -3.615 307 2HD ARG 22 HD1 ARG 22 -0.472 -8.617 -2.042 308 HE ARG 22 HE ARG 22 2.292 -8.006 -1.939 309 1HH1 ARG 22 HH11 ARG 22 -0.493 -6.465 -2.949 310 2HH1 ARG 22 HH12 ARG 22 -0.434 -5.216 -1.860 311 1HH2 ARG 22 HH21 ARG 22 2.702 -6.132 -0.640 312 2HH2 ARG 22 HH22 ARG 22 1.562 -4.895 -0.649 313 H GLY 23 HN GLY 23 -1.263 -10.535 -3.252 314 1HA GLY 23 HA2 GLY 23 -3.307 -10.885 -4.489 315 2HA GLY 23 HA1 GLY 23 -3.946 -11.741 -3.096 316 H PHE 24 HN PHE 24 -2.442 -9.740 -1.372 317 HA PHE 24 HA PHE 24 -3.213 -8.085 -0.031 318 1HB PHE 24 HB2 PHE 24 -2.841 -5.892 -1.123 319 2HB PHE 24 HB1 PHE 24 -1.611 -7.070 -1.397 320 HD1 PHE 24 HD1 PHE 24 -3.751 -4.772 -2.940 321 HD2 PHE 24 HD2 PHE 24 -1.759 -8.457 -3.630 322 HE1 PHE 24 HE1 PHE 24 -3.898 -4.413 -5.347 323 HE2 PHE 24 HE2 PHE 24 -1.929 -8.126 -6.035 324 HZ PHE 24 HZ PHE 24 -2.999 -6.089 -6.916 325 H PHE 25 HN PHE 25 -4.550 -5.689 -0.541 326 HA PHE 25 HA PHE 25 -7.197 -6.458 -1.434 327 1HB PHE 25 HB2 PHE 25 -6.874 -7.057 1.042 328 2HB PHE 25 HB1 PHE 25 -6.792 -5.326 1.351 329 HD1 PHE 25 HD1 PHE 25 -8.966 -7.315 -0.953 330 HD2 PHE 25 HD2 PHE 25 -8.751 -4.796 2.480 331 HE1 PHE 25 HE1 PHE 25 -11.412 -7.259 -0.845 332 HE2 PHE 25 HE2 PHE 25 -11.205 -4.746 2.593 333 HZ PHE 25 HZ PHE 25 -12.541 -5.977 0.930 334 H TYR 26 HN TYR 26 -6.017 -4.810 -2.942 335 HA TYR 26 HA TYR 26 -5.983 -2.074 -2.127 336 1HB TYR 26 HB2 TYR 26 -4.633 -2.730 -3.992 337 2HB TYR 26 HB1 TYR 26 -6.024 -3.395 -4.844 338 HD1 TYR 26 HD1 TYR 26 -5.626 -0.118 -3.097 339 HD2 TYR 26 HD2 TYR 26 -6.219 -2.121 -6.804 340 HE1 TYR 26 HE1 TYR 26 -5.954 2.030 -4.222 341 HE2 TYR 26 HE2 TYR 26 -6.513 0.040 -7.930 342 HH TYR 26 HH TYR 26 -6.042 2.373 -7.641 343 H THR 27 HN THR 27 -8.186 -2.264 -1.048 344 HA THR 27 HA THR 27 -10.279 -1.472 -2.976 345 HB THR 27 HB THR 27 -11.942 -2.599 -1.591 346 HG1 THR 27 HG1 THR 27 -9.688 -3.489 -0.093 347 1HG2 THR 27 HG21 THR 27 -10.949 -3.867 -3.446 348 2HG2 THR 27 HG22 THR 27 -11.448 -4.891 -2.101 349 3HG2 THR 27 HG23 THR 27 -9.742 -4.510 -2.331 350 H LYS 28 HN LYS 28 -11.601 0.175 -2.328 351 HA LYS 28 HA LYS 28 -11.148 1.397 0.300 352 1HB LYS 28 HB2 LYS 28 -11.443 3.338 -1.938 353 2HB LYS 28 HB1 LYS 28 -10.568 3.425 -0.443 354 1HG LYS 28 HG2 LYS 28 -8.818 3.316 -1.750 355 2HG LYS 28 HG1 LYS 28 -9.022 1.589 -1.624 356 1HD LYS 28 HD2 LYS 28 -10.438 3.110 -3.809 357 2HD LYS 28 HD1 LYS 28 -8.712 2.812 -3.929 358 1HE LYS 28 HE2 LYS 28 -9.491 0.356 -3.307 359 2HE LYS 28 HE1 LYS 28 -10.948 0.890 -4.104 360 1HZ LYS 28 HZ1 LYS 28 -8.834 1.653 -5.708 361 2HZ LYS 28 HZ2 LYS 28 -9.941 0.410 -5.976 362 3HZ LYS 28 HZ3 LYS 28 -8.494 0.079 -5.182 363 HA PRO 29 HA PRO 29 -15.461 2.746 -1.038 364 1HB PRO 29 HB2 PRO 29 -16.296 2.681 -3.579 365 2HB PRO 29 HB1 PRO 29 -15.170 3.915 -3.010 366 1HG PRO 29 HG2 PRO 29 -14.637 1.492 -4.647 367 2HG PRO 29 HG1 PRO 29 -13.882 3.092 -4.721 368 1HD PRO 29 HD2 PRO 29 -12.881 0.809 -3.444 369 2HD PRO 29 HD1 PRO 29 -12.285 2.454 -3.298 370 H THR 30 HN THR 30 -17.629 1.836 -1.571 371 HA THR 30 HA THR 30 -17.990 -0.754 -2.602 372 HB THR 30 HB THR 30 -18.642 -1.580 -0.067 373 HG1 THR 30 HG1 THR 30 -17.714 0.041 1.059 374 1HG2 THR 30 HG21 THR 30 -17.250 -3.218 -0.498 375 2HG2 THR 30 HG22 THR 30 -15.853 -2.150 -0.520 376 3HG2 THR 30 HG23 THR 30 -16.802 -2.390 -1.985 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -9.517 4.942 0.660 2 2H GLY 1 HT2 GLY 1 -9.583 5.030 2.350 3 3H GLY 1 HT3 GLY 1 -10.729 4.118 1.505 4 1HA GLY 1 HA1 GLY 1 -9.106 2.665 2.523 5 2HA GLY 1 HA2 GLY 1 -9.043 2.573 0.769 6 H ILE 2 HN ILE 2 -6.900 1.788 0.884 7 HA ILE 2 HA ILE 2 -4.776 3.056 2.220 8 HB ILE 2 HB ILE 2 -3.300 1.836 0.736 9 1HG1 ILE 2 HG12 ILE 2 -5.757 1.253 -0.883 10 2HG1 ILE 2 HG11 ILE 2 -4.356 2.163 -1.378 11 1HG2 ILE 2 HG21 ILE 2 -4.054 -0.421 1.252 12 2HG2 ILE 2 HG22 ILE 2 -5.702 0.149 1.412 13 3HG2 ILE 2 HG23 ILE 2 -4.498 0.653 2.582 14 1HD1 ILE 2 HD11 ILE 2 -4.067 0.113 -2.409 15 2HD1 ILE 2 HD12 ILE 2 -4.553 -0.765 -0.971 16 3HD1 ILE 2 HD13 ILE 2 -3.009 0.063 -1.016 17 H VAL 3 HN VAL 3 -6.005 3.459 -1.062 18 HA VAL 3 HA VAL 3 -4.141 5.128 -2.164 19 HB VAL 3 HB VAL 3 -6.370 6.308 -3.177 20 1HG1 VAL 3 HG11 VAL 3 -5.629 3.526 -3.998 21 2HG1 VAL 3 HG12 VAL 3 -4.580 4.926 -4.309 22 3HG1 VAL 3 HG13 VAL 3 -6.198 4.859 -4.986 23 1HG2 VAL 3 HG21 VAL 3 -7.739 4.916 -1.480 24 2HG2 VAL 3 HG22 VAL 3 -7.387 3.561 -2.527 25 3HG2 VAL 3 HG23 VAL 3 -8.250 4.947 -3.157 26 H GLU 4 HN GLU 4 -7.106 6.478 -0.738 27 HA GLU 4 HA GLU 4 -6.412 9.094 -0.640 28 1HB GLU 4 HB2 GLU 4 -7.877 7.600 1.539 29 2HB GLU 4 HB1 GLU 4 -7.935 9.334 1.268 30 1HG GLU 4 HG2 GLU 4 -8.662 7.745 -1.104 31 2HG GLU 4 HG1 GLU 4 -9.688 7.457 0.294 32 H GLN 5 HN GLN 5 -5.128 6.534 1.358 33 HA GLN 5 HA GLN 5 -3.931 8.324 3.279 34 1HB GLN 5 HB2 GLN 5 -4.785 6.025 3.811 35 2HB GLN 5 HB1 GLN 5 -3.458 5.367 2.883 36 1HG GLN 5 HG2 GLN 5 -2.390 5.299 4.815 37 2HG GLN 5 HG1 GLN 5 -2.077 7.007 4.538 38 1HE2 GLN 5 HE21 GLN 5 -2.164 7.885 6.518 39 2HE2 GLN 5 HE22 GLN 5 -3.491 7.710 7.609 40 H CYS 6 HN CYS 6 -2.685 6.037 0.824 41 HA CYS 6 HA CYS 6 -0.010 7.100 1.121 42 1HB CYS 6 HB2 CYS 6 -1.273 4.867 -0.441 43 2HB CYS 6 HB1 CYS 6 0.302 5.459 -0.942 44 H CYS 7 HN CYS 7 -2.584 7.269 -1.252 45 HA CYS 7 HA CYS 7 -1.235 8.431 -3.367 46 1HB CYS 7 HB2 CYS 7 -3.488 7.703 -3.686 47 2HB CYS 7 HB1 CYS 7 -4.072 8.766 -2.425 48 H THR 8 HN THR 8 -2.041 9.883 -0.327 49 HA THR 8 HA THR 8 -1.866 12.588 -1.294 50 HB THR 8 HB THR 8 -3.273 12.291 0.570 51 HG1 THR 8 HG1 THR 8 -2.206 14.165 0.894 52 1HG2 THR 8 HG21 THR 8 -2.305 11.527 2.786 53 2HG2 THR 8 HG22 THR 8 -1.008 10.804 1.855 54 3HG2 THR 8 HG23 THR 8 -2.676 10.310 1.584 55 H SER 9 HN SER 9 0.341 10.372 0.422 56 HA SER 9 HA SER 9 2.508 12.323 -0.091 57 1HB SER 9 HB2 SER 9 1.628 11.155 2.423 58 2HB SER 9 HB1 SER 9 3.320 10.808 2.131 59 HG SER 9 HG SER 9 2.864 12.826 3.216 60 H ILE 10 HN ILE 10 4.672 10.905 0.588 61 HA ILE 10 HA ILE 10 4.708 8.867 -1.508 62 HB ILE 10 HB ILE 10 7.240 9.490 -0.064 63 1HG1 ILE 10 HG12 ILE 10 6.405 11.723 -0.074 64 2HG1 ILE 10 HG11 ILE 10 7.517 11.596 -1.425 65 1HG2 ILE 10 HG21 ILE 10 6.376 8.488 -2.592 66 2HG2 ILE 10 HG22 ILE 10 7.964 8.461 -1.873 67 3HG2 ILE 10 HG23 ILE 10 7.460 9.842 -2.820 68 1HD1 ILE 10 HD11 ILE 10 4.846 10.972 -2.325 69 2HD1 ILE 10 HD12 ILE 10 5.952 12.233 -2.830 70 3HD1 ILE 10 HD13 ILE 10 4.884 12.501 -1.461 71 H CYS 11 HN CYS 11 4.135 6.896 -0.841 72 HA CYS 11 HA CYS 11 4.710 6.053 1.889 73 1HB CYS 11 HB2 CYS 11 3.015 5.033 -0.352 74 2HB CYS 11 HB1 CYS 11 3.554 3.876 0.859 75 H SER 12 HN SER 12 5.819 4.159 2.446 76 HA SER 12 HA SER 12 7.970 3.459 0.545 77 1HB SER 12 HB2 SER 12 8.745 2.400 2.959 78 2HB SER 12 HB1 SER 12 9.199 3.989 2.349 79 HG SER 12 HG SER 12 7.692 4.930 3.613 80 H LEU 13 HN LEU 13 8.204 1.408 -0.140 81 HA LEU 13 HA LEU 13 6.156 -0.389 -0.272 82 1HB LEU 13 HB2 LEU 13 9.118 -0.735 -0.401 83 2HB LEU 13 HB1 LEU 13 8.080 -2.150 -0.506 84 HG LEU 13 HG LEU 13 7.031 -1.350 -2.481 85 1HD1 LEU 13 HD11 LEU 13 8.561 1.210 -2.155 86 2HD1 LEU 13 HD12 LEU 13 6.828 1.001 -1.865 87 3HD1 LEU 13 HD13 LEU 13 7.470 0.778 -3.451 88 1HD2 LEU 13 HD21 LEU 13 9.215 -2.415 -2.786 89 2HD2 LEU 13 HD22 LEU 13 9.989 -0.832 -2.677 90 3HD2 LEU 13 HD23 LEU 13 8.903 -1.195 -4.020 91 H TYR 14 HN TYR 14 8.496 -0.047 2.299 92 HA TYR 14 HA TYR 14 8.046 -2.411 3.678 93 1HB TYR 14 HB2 TYR 14 9.816 -0.833 4.288 94 2HB TYR 14 HB1 TYR 14 8.611 0.353 4.786 95 HD1 TYR 14 HD1 TYR 14 8.723 -3.323 5.456 96 HD2 TYR 14 HD2 TYR 14 8.996 0.604 7.092 97 HE1 TYR 14 HE1 TYR 14 8.754 -4.270 7.715 98 HE2 TYR 14 HE2 TYR 14 9.033 -0.343 9.357 99 HH TYR 14 HH TYR 14 9.823 -3.031 10.220 100 H GLN 15 HN GLN 15 6.199 0.563 3.533 101 HA GLN 15 HA GLN 15 4.298 -0.300 5.539 102 1HB GLN 15 HB2 GLN 15 4.447 2.101 3.713 103 2HB GLN 15 HB1 GLN 15 3.082 1.810 4.777 104 1HG GLN 15 HG2 GLN 15 5.834 1.814 5.949 105 2HG GLN 15 HG1 GLN 15 5.101 3.344 5.477 106 1HE2 GLN 15 HE21 GLN 15 2.709 3.515 6.227 107 2HE2 GLN 15 HE22 GLN 15 2.452 3.081 7.879 108 H LEU 16 HN LEU 16 4.653 -0.235 2.069 109 HA LEU 16 HA LEU 16 1.961 -0.801 1.426 110 1HB LEU 16 HB2 LEU 16 4.163 -0.110 -0.017 111 2HB LEU 16 HB1 LEU 16 4.101 -1.827 -0.370 112 HG LEU 16 HG LEU 16 1.706 -1.472 -1.101 113 1HD1 LEU 16 HD11 LEU 16 1.318 0.630 0.109 114 2HD1 LEU 16 HD12 LEU 16 0.984 0.776 -1.607 115 3HD1 LEU 16 HD13 LEU 16 2.477 1.436 -0.943 116 1HD2 LEU 16 HD21 LEU 16 2.308 -0.790 -3.263 117 2HD2 LEU 16 HD22 LEU 16 3.750 -1.544 -2.591 118 3HD2 LEU 16 HD23 LEU 16 3.644 0.205 -2.679 119 H GLU 17 HN GLU 17 4.552 -2.719 2.678 120 HA GLU 17 HA GLU 17 3.605 -5.229 1.761 121 1HB GLU 17 HB2 GLU 17 5.252 -6.204 3.090 122 2HB GLU 17 HB1 GLU 17 5.940 -4.667 2.603 123 1HG GLU 17 HG2 GLU 17 6.414 -4.355 4.731 124 2HG GLU 17 HG1 GLU 17 4.705 -4.014 4.985 125 H ASN 18 HN ASN 18 2.531 -3.043 4.149 126 HA ASN 18 HA ASN 18 1.370 -4.956 5.921 127 1HB ASN 18 HB2 ASN 18 2.061 -2.556 6.481 128 2HB ASN 18 HB1 ASN 18 0.591 -2.037 5.663 129 1HD2 ASN 18 HD21 ASN 18 1.414 -4.683 7.930 130 2HD2 ASN 18 HD22 ASN 18 0.149 -4.309 9.038 131 H TYR 19 HN TYR 19 0.584 -4.191 2.804 132 HA TYR 19 HA TYR 19 -2.316 -4.375 3.189 133 1HB TYR 19 HB2 TYR 19 -0.627 -3.806 0.773 134 2HB TYR 19 HB1 TYR 19 -2.375 -3.920 0.727 135 HD1 TYR 19 HD1 TYR 19 -0.712 -1.561 -0.190 136 HD2 TYR 19 HD2 TYR 19 -2.549 -2.427 3.563 137 HE1 TYR 19 HE1 TYR 19 -0.865 0.841 0.298 138 HE2 TYR 19 HE2 TYR 19 -2.694 -0.041 4.049 139 HH TYR 19 HH TYR 19 -2.738 2.115 2.833 140 H CYS 20 HN CYS 20 0.436 -6.228 2.292 141 HA CYS 20 HA CYS 20 -0.806 -8.171 0.674 142 1HB CYS 20 HB2 CYS 20 1.568 -8.732 2.438 143 2HB CYS 20 HB1 CYS 20 1.169 -9.405 0.876 144 H ASN 21 HN ASN 21 -2.505 -9.333 1.337 145 HA ASN 21 HA ASN 21 -2.534 -10.369 4.115 146 1HB ASN 21 HB2 ASN 21 -5.014 -10.737 3.619 147 2HB ASN 21 HB1 ASN 21 -4.461 -9.081 3.796 148 1HD2 ASN 21 HD21 ASN 21 -6.466 -10.904 2.038 149 2HD2 ASN 21 HD22 ASN 21 -6.436 -10.020 0.555 150 1H PHE 1 HT1 PHE 1 11.432 4.583 -1.800 151 2H PHE 1 HT2 PHE 1 11.106 2.912 -1.928 152 3H PHE 1 HT3 PHE 1 10.395 4.004 -3.033 153 HA PHE 1 HA PHE 1 13.234 3.326 -2.684 154 1HB PHE 1 HB2 PHE 1 12.919 2.607 -5.142 155 2HB PHE 1 HB1 PHE 1 12.274 1.569 -3.879 156 HD1 PHE 1 HD1 PHE 1 11.134 4.464 -5.922 157 HD2 PHE 1 HD2 PHE 1 10.192 0.689 -4.285 158 HE1 PHE 1 HE1 PHE 1 8.943 4.586 -7.000 159 HE2 PHE 1 HE2 PHE 1 7.991 0.769 -5.383 160 HZ PHE 1 HZ PHE 1 7.363 2.726 -6.734 161 H VAL 2 HN VAL 2 10.884 5.607 -3.815 162 HA VAL 2 HA VAL 2 12.942 7.533 -4.403 163 HB VAL 2 HB VAL 2 12.207 8.060 -6.666 164 1HG1 VAL 2 HG11 VAL 2 13.163 6.260 -7.842 165 2HG1 VAL 2 HG12 VAL 2 12.850 5.128 -6.547 166 3HG1 VAL 2 HG13 VAL 2 14.025 6.424 -6.325 167 1HG2 VAL 2 HG21 VAL 2 10.162 7.496 -7.291 168 2HG2 VAL 2 HG22 VAL 2 9.982 6.318 -6.004 169 3HG2 VAL 2 HG23 VAL 2 10.731 5.851 -7.529 170 H ASN 3 HN ASN 3 11.517 9.514 -5.571 171 HA ASN 3 HA ASN 3 9.709 10.253 -3.460 172 1HB ASN 3 HB2 ASN 3 11.350 11.685 -5.075 173 2HB ASN 3 HB1 ASN 3 9.844 11.922 -5.941 174 1HD2 ASN 3 HD21 ASN 3 7.978 12.661 -4.585 175 2HD2 ASN 3 HD22 ASN 3 8.336 13.785 -3.323 176 H GLN 4 HN GLN 4 8.476 8.180 -4.168 177 HA GLN 4 HA GLN 4 6.752 8.408 -6.435 178 1HB GLN 4 HB2 GLN 4 5.755 6.325 -5.588 179 2HB GLN 4 HB1 GLN 4 7.501 6.255 -5.652 180 1HG GLN 4 HG2 GLN 4 7.449 6.863 -3.178 181 2HG GLN 4 HG1 GLN 4 5.743 6.460 -3.229 182 1HE2 GLN 4 HE21 GLN 4 6.103 4.286 -5.152 183 2HE2 GLN 4 HE22 GLN 4 6.799 3.031 -4.216 184 H ALA 5 HN ALA 5 4.307 7.485 -5.395 185 HA ALA 5 HA ALA 5 3.348 9.500 -3.511 186 1HB ALA 5 HB1 ALA 5 2.221 9.228 -6.301 187 2HB ALA 5 HB2 ALA 5 3.177 10.582 -5.702 188 3HB ALA 5 HB3 ALA 5 1.587 10.257 -5.013 189 H LEU 6 HN LEU 6 2.428 6.917 -5.765 190 HA LEU 6 HA LEU 6 1.257 5.037 -5.491 191 1HB LEU 6 HB2 LEU 6 1.648 5.754 -2.625 192 2HB LEU 6 HB1 LEU 6 0.466 4.556 -3.013 193 HG LEU 6 HG LEU 6 2.771 3.723 -2.437 194 1HD1 LEU 6 HD11 LEU 6 1.823 1.949 -3.376 195 2HD1 LEU 6 HD12 LEU 6 2.627 2.390 -4.875 196 3HD1 LEU 6 HD13 LEU 6 0.983 2.934 -4.571 197 1HD2 LEU 6 HD21 LEU 6 4.451 3.813 -4.087 198 2HD2 LEU 6 HD22 LEU 6 3.971 5.468 -3.763 199 3HD2 LEU 6 HD23 LEU 6 3.434 4.658 -5.238 200 H CYS 7 HN CYS 7 -0.263 6.308 -6.750 201 HA CYS 7 HA CYS 7 -2.822 6.525 -5.336 202 1HB CYS 7 HB2 CYS 7 -1.629 8.779 -5.907 203 2HB CYS 7 HB1 CYS 7 -2.120 8.440 -7.558 204 H GLY 8 HN GLY 8 -4.576 5.748 -6.419 205 1HA GLY 8 HA2 GLY 8 -5.779 4.683 -8.040 206 2HA GLY 8 HA1 GLY 8 -4.642 5.300 -9.229 207 H SER 9 HN SER 9 -3.457 3.812 -10.264 208 HA SER 9 HA SER 9 -3.526 1.052 -9.341 209 1HB SER 9 HB2 SER 9 -3.941 1.575 -11.708 210 2HB SER 9 HB1 SER 9 -2.314 2.239 -11.847 211 HG SER 9 HG SER 9 -3.114 -0.436 -11.458 212 H ASP 10 HN ASP 10 -1.380 3.729 -9.177 213 HA ASP 10 HA ASP 10 1.135 2.633 -9.279 214 1HB ASP 10 HB2 ASP 10 0.196 4.609 -7.225 215 2HB ASP 10 HB1 ASP 10 1.852 4.392 -7.751 216 H LEU 11 HN LEU 11 -1.311 2.261 -6.797 217 HA LEU 11 HA LEU 11 0.369 1.099 -4.825 218 1HB LEU 11 HB2 LEU 11 -2.582 0.932 -5.280 219 2HB LEU 11 HB1 LEU 11 -1.779 0.289 -3.856 220 HG LEU 11 HG LEU 11 -1.474 3.193 -4.584 221 1HD1 LEU 11 HD11 LEU 11 -3.835 1.873 -3.313 222 2HD1 LEU 11 HD12 LEU 11 -3.754 3.001 -4.632 223 3HD1 LEU 11 HD13 LEU 11 -3.412 3.546 -2.995 224 1HD2 LEU 11 HD21 LEU 11 -1.114 3.437 -2.214 225 2HD2 LEU 11 HD22 LEU 11 -0.077 2.164 -2.811 226 3HD2 LEU 11 HD23 LEU 11 -1.524 1.750 -1.935 227 H VAL 12 HN VAL 12 -2.244 -0.555 -6.544 228 HA VAL 12 HA VAL 12 -1.550 -3.120 -6.102 229 HB VAL 12 HB VAL 12 -2.422 -3.625 -8.453 230 1HG1 VAL 12 HG11 VAL 12 -3.747 -3.078 -6.172 231 2HG1 VAL 12 HG12 VAL 12 -4.521 -3.535 -7.684 232 3HG1 VAL 12 HG13 VAL 12 -4.421 -1.837 -7.225 233 1HG2 VAL 12 HG21 VAL 12 -2.726 -0.627 -8.494 234 2HG2 VAL 12 HG22 VAL 12 -3.491 -1.733 -9.611 235 3HG2 VAL 12 HG23 VAL 12 -1.751 -1.603 -9.584 236 H GLU 13 HN GLU 13 -0.140 -1.028 -8.596 237 HA GLU 13 HA GLU 13 1.537 -2.910 -9.761 238 1HB GLU 13 HB2 GLU 13 1.442 0.029 -9.628 239 2HB GLU 13 HB1 GLU 13 2.966 -0.679 -10.118 240 1HG GLU 13 HG2 GLU 13 0.660 -1.820 -11.531 241 2HG GLU 13 HG1 GLU 13 0.817 -0.086 -11.727 242 H ALA 14 HN ALA 14 2.156 -0.615 -7.173 243 HA ALA 14 HA ALA 14 4.769 -1.756 -6.642 244 1HB ALA 14 HB1 ALA 14 4.876 -0.124 -4.834 245 2HB ALA 14 HB2 ALA 14 3.180 0.290 -5.096 246 3HB ALA 14 HB3 ALA 14 4.373 0.633 -6.345 247 H LEU 15 HN LEU 15 1.585 -2.531 -5.804 248 HA LEU 15 HA LEU 15 2.213 -3.628 -3.252 249 1HB LEU 15 HB2 LEU 15 -0.122 -2.701 -4.473 250 2HB LEU 15 HB1 LEU 15 -0.372 -4.397 -4.237 251 HG LEU 15 HG LEU 15 0.008 -2.227 -2.220 252 1HD1 LEU 15 HD11 LEU 15 -2.178 -2.581 -2.221 253 2HD1 LEU 15 HD12 LEU 15 -1.833 -4.025 -1.300 254 3HD1 LEU 15 HD13 LEU 15 -2.045 -4.117 -3.024 255 1HD2 LEU 15 HD21 LEU 15 1.533 -3.578 -1.211 256 2HD2 LEU 15 HD22 LEU 15 0.931 -5.013 -1.989 257 3HD2 LEU 15 HD23 LEU 15 0.099 -4.377 -0.619 258 H TYR 16 HN TYR 16 0.669 -5.027 -6.182 259 HA TYR 16 HA TYR 16 1.004 -7.659 -5.349 260 1HB TYR 16 HB2 TYR 16 0.753 -8.310 -7.736 261 2HB TYR 16 HB1 TYR 16 -0.470 -7.236 -7.135 262 HD1 TYR 16 HD1 TYR 16 2.860 -6.758 -8.730 263 HD2 TYR 16 HD2 TYR 16 -1.266 -5.813 -8.730 264 HE1 TYR 16 HE1 TYR 16 3.217 -5.304 -10.664 265 HE2 TYR 16 HE2 TYR 16 -0.935 -4.370 -10.685 266 HH TYR 16 HH TYR 16 1.309 -4.477 -12.691 267 H LEU 17 HN LEU 17 3.360 -5.444 -6.573 268 HA LEU 17 HA LEU 17 5.226 -7.508 -7.328 269 1HB LEU 17 HB2 LEU 17 5.014 -4.657 -7.615 270 2HB LEU 17 HB1 LEU 17 6.555 -5.019 -6.894 271 HG LEU 17 HG LEU 17 7.231 -6.349 -8.737 272 1HD1 LEU 17 HD11 LEU 17 4.426 -6.697 -9.186 273 2HD1 LEU 17 HD12 LEU 17 5.761 -7.589 -9.822 274 3HD1 LEU 17 HD13 LEU 17 5.183 -6.158 -10.657 275 1HD2 LEU 17 HD21 LEU 17 7.132 -4.748 -10.574 276 2HD2 LEU 17 HD22 LEU 17 7.417 -3.929 -9.040 277 3HD2 LEU 17 HD23 LEU 17 5.812 -3.893 -9.774 278 H VAL 18 HN VAL 18 4.649 -5.473 -4.528 279 HA VAL 18 HA VAL 18 7.035 -6.292 -3.141 280 HB VAL 18 HB VAL 18 5.873 -5.319 -1.107 281 1HG1 VAL 18 HG11 VAL 18 7.383 -3.929 -2.199 282 2HG1 VAL 18 HG12 VAL 18 5.921 -2.963 -2.035 283 3HG1 VAL 18 HG13 VAL 18 6.329 -3.692 -3.590 284 1HG2 VAL 18 HG21 VAL 18 3.810 -4.586 -3.111 285 2HG2 VAL 18 HG22 VAL 18 3.874 -3.960 -1.503 286 3HG2 VAL 18 HG23 VAL 18 3.576 -5.650 -1.774 287 H CYS 19 HN CYS 19 3.646 -7.267 -3.120 288 HA CYS 19 HA CYS 19 4.024 -9.197 -1.000 289 1HB CYS 19 HB2 CYS 19 1.662 -9.021 -2.871 290 2HB CYS 19 HB1 CYS 19 1.722 -9.644 -1.242 291 H GLY 20 HN GLY 20 3.226 -9.366 -4.476 292 1HA GLY 20 HA2 GLY 20 3.995 -10.889 -6.029 293 2HA GLY 20 HA1 GLY 20 4.851 -11.756 -4.764 294 H GLU 21 HN GLU 21 3.845 -13.444 -3.712 295 HA GLU 21 HA GLU 21 1.298 -14.339 -4.921 296 1HB GLU 21 HB2 GLU 21 3.677 -15.748 -3.766 297 2HB GLU 21 HB1 GLU 21 2.115 -16.544 -3.706 298 1HG GLU 21 HG2 GLU 21 2.394 -17.257 -5.752 299 2HG GLU 21 HG1 GLU 21 2.362 -15.600 -6.346 300 H ARG 22 HN ARG 22 2.040 -12.528 -2.416 301 HA ARG 22 HA ARG 22 0.886 -13.943 -0.227 302 1HB ARG 22 HB2 ARG 22 2.277 -11.511 -0.593 303 2HB ARG 22 HB1 ARG 22 0.697 -11.059 0.021 304 1HG ARG 22 HG2 ARG 22 2.204 -11.319 1.849 305 2HG ARG 22 HG1 ARG 22 1.015 -12.620 1.902 306 1HD ARG 22 HD2 ARG 22 2.701 -14.066 2.000 307 2HD ARG 22 HD1 ARG 22 3.107 -13.646 0.347 308 HE ARG 22 HE ARG 22 4.897 -12.446 1.082 309 1HH1 ARG 22 HH11 ARG 22 2.823 -13.174 3.826 310 2HH1 ARG 22 HH12 ARG 22 3.977 -12.626 4.980 311 1HH2 ARG 22 HH21 ARG 22 6.404 -11.719 2.640 312 2HH2 ARG 22 HH22 ARG 22 6.000 -11.798 4.322 313 H GLY 23 HN GLY 23 -0.336 -11.528 -2.534 314 1HA GLY 23 HA2 GLY 23 -2.538 -11.488 -3.328 315 2HA GLY 23 HA1 GLY 23 -3.070 -12.445 -1.957 316 H PHE 24 HN PHE 24 -1.805 -9.256 -2.823 317 HA PHE 24 HA PHE 24 -2.377 -7.909 -0.466 318 1HB PHE 24 HB2 PHE 24 -2.311 -5.885 -1.740 319 2HB PHE 24 HB1 PHE 24 -1.053 -6.950 -2.306 320 HD1 PHE 24 HD1 PHE 24 -1.386 -8.222 -4.453 321 HD2 PHE 24 HD2 PHE 24 -3.989 -5.081 -3.215 322 HE1 PHE 24 HE1 PHE 24 -2.239 -8.025 -6.742 323 HE2 PHE 24 HE2 PHE 24 -4.823 -4.871 -5.515 324 HZ PHE 24 HZ PHE 24 -3.945 -6.338 -7.284 325 H PHE 25 HN PHE 25 -4.041 -6.130 -0.225 326 HA PHE 25 HA PHE 25 -6.683 -7.262 -0.914 327 1HB PHE 25 HB2 PHE 25 -5.686 -6.669 1.549 328 2HB PHE 25 HB1 PHE 25 -6.521 -5.175 1.200 329 HD1 PHE 25 HD1 PHE 25 -8.951 -5.576 0.097 330 HD2 PHE 25 HD2 PHE 25 -6.896 -8.244 2.691 331 HE1 PHE 25 HE1 PHE 25 -11.092 -6.589 0.752 332 HE2 PHE 25 HE2 PHE 25 -9.022 -9.285 3.326 333 HZ PHE 25 HZ PHE 25 -11.131 -8.449 2.365 334 H TYR 26 HN TYR 26 -5.641 -3.947 -0.014 335 HA TYR 26 HA TYR 26 -6.172 -1.954 -0.878 336 1HB TYR 26 HB2 TYR 26 -4.711 -2.661 -2.695 337 2HB TYR 26 HB1 TYR 26 -6.047 -3.490 -3.484 338 HD1 TYR 26 HD1 TYR 26 -5.674 -2.211 -5.533 339 HD2 TYR 26 HD2 TYR 26 -6.643 -0.234 -1.904 340 HE1 TYR 26 HE1 TYR 26 -6.173 -0.160 -6.790 341 HE2 TYR 26 HE2 TYR 26 -7.145 1.798 -3.137 342 HH TYR 26 HH TYR 26 -6.170 2.571 -5.932 343 H THR 27 HN THR 27 -8.148 -1.206 -0.343 344 HA THR 27 HA THR 27 -10.488 -2.327 -1.775 345 HB THR 27 HB THR 27 -11.782 -2.074 0.127 346 HG1 THR 27 HG1 THR 27 -11.435 -0.604 1.654 347 1HG2 THR 27 HG21 THR 27 -10.070 -3.835 0.453 348 2HG2 THR 27 HG22 THR 27 -10.677 -3.136 1.949 349 3HG2 THR 27 HG23 THR 27 -9.092 -2.666 1.339 350 H LYS 28 HN LYS 28 -12.125 -0.951 -2.431 351 HA LYS 28 HA LYS 28 -11.219 1.705 -3.191 352 1HB LYS 28 HB2 LYS 28 -13.145 -0.230 -4.127 353 2HB LYS 28 HB1 LYS 28 -13.964 1.291 -3.907 354 1HG LYS 28 HG2 LYS 28 -11.758 2.134 -5.241 355 2HG LYS 28 HG1 LYS 28 -11.862 0.473 -5.815 356 1HD LYS 28 HD2 LYS 28 -14.000 0.788 -6.720 357 2HD LYS 28 HD1 LYS 28 -14.253 2.300 -5.859 358 1HE LYS 28 HE2 LYS 28 -13.413 3.449 -7.546 359 2HE LYS 28 HE1 LYS 28 -11.892 2.565 -7.458 360 1HZ LYS 28 HZ1 LYS 28 -14.312 1.725 -8.967 361 2HZ LYS 28 HZ2 LYS 28 -12.867 0.847 -8.868 362 3HZ LYS 28 HZ3 LYS 28 -12.889 2.358 -9.627 363 HA PRO 29 HA PRO 29 -13.471 4.247 -0.381 364 1HB PRO 29 HB2 PRO 29 -15.454 5.228 -2.345 365 2HB PRO 29 HB1 PRO 29 -14.209 6.100 -1.446 366 1HG PRO 29 HG2 PRO 29 -13.985 5.638 -4.071 367 2HG PRO 29 HG1 PRO 29 -12.572 5.634 -2.999 368 1HD PRO 29 HD2 PRO 29 -14.097 3.335 -4.133 369 2HD PRO 29 HD1 PRO 29 -12.344 3.558 -3.957 370 H THR 30 HN THR 30 -14.918 1.592 -1.481 371 HA THR 30 HA THR 30 -17.632 1.917 -0.849 372 HB THR 30 HB THR 30 -15.909 -0.572 -0.876 373 HG1 THR 30 HG1 THR 30 -15.936 0.221 -2.907 374 1HG2 THR 30 HG21 THR 30 -18.900 -0.262 -0.833 375 2HG2 THR 30 HG22 THR 30 -17.878 -1.163 0.290 376 3HG2 THR 30 HG23 THR 30 -18.074 -1.724 -1.368 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -8.698 6.031 6.703 2 2H GLY 1 HT2 GLY 1 -7.582 4.795 6.996 3 3H GLY 1 HT3 GLY 1 -8.993 4.468 6.123 4 1HA GLY 1 HA1 GLY 1 -8.291 5.726 4.256 5 2HA GLY 1 HA2 GLY 1 -6.996 6.446 5.166 6 H ILE 2 HN ILE 2 -8.000 3.446 3.597 7 HA ILE 2 HA ILE 2 -5.451 2.158 3.896 8 HB ILE 2 HB ILE 2 -7.712 1.886 1.889 9 1HG1 ILE 2 HG12 ILE 2 -8.100 1.044 4.192 10 2HG1 ILE 2 HG11 ILE 2 -8.000 -0.306 3.049 11 1HG2 ILE 2 HG21 ILE 2 -6.412 -0.321 1.326 12 2HG2 ILE 2 HG22 ILE 2 -5.002 0.561 1.900 13 3HG2 ILE 2 HG23 ILE 2 -5.947 1.182 0.547 14 1HD1 ILE 2 HD11 ILE 2 -6.653 -0.973 4.825 15 2HD1 ILE 2 HD12 ILE 2 -5.950 0.614 5.043 16 3HD1 ILE 2 HD13 ILE 2 -5.471 -0.383 3.675 17 H VAL 3 HN VAL 3 -6.835 3.857 1.103 18 HA VAL 3 HA VAL 3 -4.105 4.129 -0.020 19 HB VAL 3 HB VAL 3 -6.279 3.533 -1.357 20 1HG1 VAL 3 HG11 VAL 3 -7.545 5.526 -0.420 21 2HG1 VAL 3 HG12 VAL 3 -7.550 5.389 -2.170 22 3HG1 VAL 3 HG13 VAL 3 -6.503 6.569 -1.397 23 1HG2 VAL 3 HG21 VAL 3 -4.913 5.768 -2.717 24 2HG2 VAL 3 HG22 VAL 3 -5.116 4.108 -3.218 25 3HG2 VAL 3 HG23 VAL 3 -3.847 4.551 -2.070 26 H GLU 4 HN GLU 4 -6.625 6.051 1.456 27 HA GLU 4 HA GLU 4 -5.630 8.641 0.764 28 1HB GLU 4 HB2 GLU 4 -7.001 8.083 3.405 29 2HB GLU 4 HB1 GLU 4 -7.131 9.488 2.331 30 1HG GLU 4 HG2 GLU 4 -8.084 7.693 0.616 31 2HG GLU 4 HG1 GLU 4 -8.403 6.778 2.103 32 H GLN 5 HN GLN 5 -4.751 6.361 3.312 33 HA GLN 5 HA GLN 5 -3.052 8.349 4.651 34 1HB GLN 5 HB2 GLN 5 -4.338 6.247 5.636 35 2HB GLN 5 HB1 GLN 5 -2.846 5.391 5.226 36 1HG GLN 5 HG2 GLN 5 -1.651 6.456 6.836 37 2HG GLN 5 HG1 GLN 5 -2.486 8.000 6.621 38 1HE2 GLN 5 HE21 GLN 5 -2.596 4.917 8.308 39 2HE2 GLN 5 HE22 GLN 5 -3.874 5.378 9.375 40 H CYS 6 HN CYS 6 -2.644 5.626 2.402 41 HA CYS 6 HA CYS 6 0.273 5.913 2.565 42 1HB CYS 6 HB2 CYS 6 -1.578 3.897 1.664 43 2HB CYS 6 HB1 CYS 6 -0.455 4.195 0.409 44 H CYS 7 HN CYS 7 -2.281 7.264 0.772 45 HA CYS 7 HA CYS 7 -0.543 7.910 -1.542 46 1HB CYS 7 HB2 CYS 7 -2.814 7.294 -2.128 47 2HB CYS 7 HB1 CYS 7 -3.451 8.446 -0.958 48 H THR 8 HN THR 8 -1.878 9.363 1.359 49 HA THR 8 HA THR 8 -1.912 12.040 0.899 50 HB THR 8 HB THR 8 -2.222 11.478 3.170 51 HG1 THR 8 HG1 THR 8 -0.836 12.844 4.162 52 1HG2 THR 8 HG21 THR 8 -1.304 9.628 3.956 53 2HG2 THR 8 HG22 THR 8 0.204 10.486 4.182 54 3HG2 THR 8 HG23 THR 8 -0.063 9.568 2.704 55 H SER 9 HN SER 9 1.170 11.341 2.470 56 HA SER 9 HA SER 9 2.482 13.055 0.486 57 1HB SER 9 HB2 SER 9 4.470 12.668 2.128 58 2HB SER 9 HB1 SER 9 3.085 13.577 2.705 59 HG SER 9 HG SER 9 3.666 11.974 4.203 60 H ILE 10 HN ILE 10 4.556 10.689 1.870 61 HA ILE 10 HA ILE 10 4.393 9.037 -0.583 62 HB ILE 10 HB ILE 10 7.108 9.014 0.283 63 1HG1 ILE 10 HG12 ILE 10 6.534 11.169 1.498 64 2HG1 ILE 10 HG11 ILE 10 7.739 11.355 0.223 65 1HG2 ILE 10 HG21 ILE 10 5.650 9.349 -2.098 66 2HG2 ILE 10 HG22 ILE 10 7.371 9.188 -1.911 67 3HG2 ILE 10 HG23 ILE 10 6.669 10.741 -2.011 68 1HD1 ILE 10 HD11 ILE 10 5.126 11.694 -0.975 69 2HD1 ILE 10 HD12 ILE 10 6.479 12.782 -0.862 70 3HD1 ILE 10 HD13 ILE 10 5.316 12.738 0.425 71 H CYS 11 HN CYS 11 3.415 7.282 0.375 72 HA CYS 11 HA CYS 11 3.812 6.425 3.010 73 1HB CYS 11 HB2 CYS 11 2.290 5.501 0.906 74 2HB CYS 11 HB1 CYS 11 3.419 4.174 1.089 75 H SER 12 HN SER 12 4.607 3.705 2.882 76 HA SER 12 HA SER 12 7.409 3.762 1.946 77 1HB SER 12 HB2 SER 12 6.566 4.061 4.701 78 2HB SER 12 HB1 SER 12 7.415 2.543 4.510 79 HG SER 12 HG SER 12 8.320 5.160 4.014 80 H LEU 13 HN LEU 13 7.780 1.875 0.952 81 HA LEU 13 HA LEU 13 5.977 -0.188 0.523 82 1HB LEU 13 HB2 LEU 13 8.990 -0.534 0.837 83 2HB LEU 13 HB1 LEU 13 7.908 -1.619 -0.030 84 HG LEU 13 HG LEU 13 8.582 -0.395 -1.818 85 1HD1 LEU 13 HD11 LEU 13 6.975 1.296 -2.422 86 2HD1 LEU 13 HD12 LEU 13 6.508 1.524 -0.767 87 3HD1 LEU 13 HD13 LEU 13 6.142 0.015 -1.567 88 1HD2 LEU 13 HD21 LEU 13 9.962 1.342 -1.588 89 2HD2 LEU 13 HD22 LEU 13 9.702 1.286 0.134 90 3HD2 LEU 13 HD23 LEU 13 8.713 2.331 -0.878 91 H TYR 14 HN TYR 14 8.068 0.251 3.258 92 HA TYR 14 HA TYR 14 7.538 -2.338 4.428 93 1HB TYR 14 HB2 TYR 14 8.104 -0.361 6.487 94 2HB TYR 14 HB1 TYR 14 9.105 -1.694 5.913 95 HD1 TYR 14 HD1 TYR 14 8.733 1.850 6.039 96 HD2 TYR 14 HD2 TYR 14 10.441 -1.348 3.734 97 HE1 TYR 14 HE1 TYR 14 10.310 3.452 4.982 98 HE2 TYR 14 HE2 TYR 14 12.007 0.254 2.666 99 HH TYR 14 HH TYR 14 11.755 3.155 2.320 100 H GLN 15 HN GLN 15 6.016 0.834 4.574 101 HA GLN 15 HA GLN 15 4.114 0.023 6.637 102 1HB GLN 15 HB2 GLN 15 4.294 2.435 4.800 103 2HB GLN 15 HB1 GLN 15 3.022 2.248 6.009 104 1HG GLN 15 HG2 GLN 15 5.939 2.001 6.803 105 2HG GLN 15 HG1 GLN 15 5.178 3.586 6.621 106 1HE2 GLN 15 HE21 GLN 15 6.025 2.891 9.154 107 2HE2 GLN 15 HE22 GLN 15 4.648 2.546 10.138 108 H LEU 16 HN LEU 16 4.396 -0.033 3.185 109 HA LEU 16 HA LEU 16 1.586 -0.379 2.681 110 1HB LEU 16 HB2 LEU 16 3.402 0.419 1.016 111 2HB LEU 16 HB1 LEU 16 3.871 -1.280 0.883 112 HG LEU 16 HG LEU 16 1.560 -1.830 0.220 113 1HD1 LEU 16 HD11 LEU 16 -0.063 -0.151 -0.239 114 2HD1 LEU 16 HD12 LEU 16 1.101 1.136 0.070 115 3HD1 LEU 16 HD13 LEU 16 0.517 0.157 1.380 116 1HD2 LEU 16 HD21 LEU 16 1.614 -0.672 -2.027 117 2HD2 LEU 16 HD22 LEU 16 3.118 -1.468 -1.566 118 3HD2 LEU 16 HD23 LEU 16 2.963 0.280 -1.404 119 H GLU 17 HN GLU 17 4.185 -2.421 3.717 120 HA GLU 17 HA GLU 17 3.269 -4.918 2.756 121 1HB GLU 17 HB2 GLU 17 5.386 -4.183 4.267 122 2HB GLU 17 HB1 GLU 17 4.346 -4.785 5.566 123 1HG GLU 17 HG2 GLU 17 4.037 -6.896 4.180 124 2HG GLU 17 HG1 GLU 17 5.312 -6.277 3.115 125 H ASN 18 HN ASN 18 2.130 -2.863 5.360 126 HA ASN 18 HA ASN 18 0.415 -4.901 6.521 127 1HB ASN 18 HB2 ASN 18 1.396 -2.679 7.580 128 2HB ASN 18 HB1 ASN 18 -0.049 -1.930 6.890 129 1HD2 ASN 18 HD21 ASN 18 -1.307 -1.649 8.747 130 2HD2 ASN 18 HD22 ASN 18 -1.764 -2.952 9.786 131 H TYR 19 HN TYR 19 0.244 -3.461 3.579 132 HA TYR 19 HA TYR 19 -2.659 -2.955 3.599 133 1HB TYR 19 HB2 TYR 19 -0.442 -2.498 1.630 134 2HB TYR 19 HB1 TYR 19 -2.107 -2.466 1.080 135 HD1 TYR 19 HD1 TYR 19 -0.836 -1.341 4.426 136 HD2 TYR 19 HD2 TYR 19 -2.268 -0.158 0.562 137 HE1 TYR 19 HE1 TYR 19 -1.007 0.959 5.224 138 HE2 TYR 19 HE2 TYR 19 -2.413 2.170 1.346 139 HH TYR 19 HH TYR 19 -2.709 3.198 4.103 140 H CYS 20 HN CYS 20 -0.397 -5.457 2.931 141 HA CYS 20 HA CYS 20 -2.271 -6.812 1.104 142 1HB CYS 20 HB2 CYS 20 -0.505 -8.349 0.675 143 2HB CYS 20 HB1 CYS 20 0.218 -6.739 0.661 144 H ASN 21 HN ASN 21 -3.542 -8.497 1.733 145 HA ASN 21 HA ASN 21 -3.592 -9.181 4.605 146 1HB ASN 21 HB2 ASN 21 -5.669 -10.297 4.106 147 2HB ASN 21 HB1 ASN 21 -5.677 -8.775 3.205 148 1HD2 ASN 21 HD21 ASN 21 -5.812 -8.908 0.958 149 2HD2 ASN 21 HD22 ASN 21 -5.777 -10.384 0.073 150 1H PHE 1 HT1 PHE 1 13.654 4.015 -5.133 151 2H PHE 1 HT2 PHE 1 14.255 3.600 -6.689 152 3H PHE 1 HT3 PHE 1 14.569 2.578 -5.351 153 HA PHE 1 HA PHE 1 12.900 1.669 -6.757 154 1HB PHE 1 HB2 PHE 1 12.859 1.382 -4.244 155 2HB PHE 1 HB1 PHE 1 11.682 2.688 -4.143 156 HD1 PHE 1 HD1 PHE 1 10.724 0.369 -2.990 157 HD2 PHE 1 HD2 PHE 1 10.935 1.180 -7.204 158 HE1 PHE 1 HE1 PHE 1 8.896 -1.252 -3.429 159 HE2 PHE 1 HE2 PHE 1 9.126 -0.391 -7.619 160 HZ PHE 1 HZ PHE 1 8.098 -1.627 -5.731 161 H VAL 2 HN VAL 2 11.425 4.471 -5.066 162 HA VAL 2 HA VAL 2 10.313 5.468 -7.609 163 HB VAL 2 HB VAL 2 8.195 5.077 -5.550 164 1HG1 VAL 2 HG11 VAL 2 7.796 6.000 -7.829 165 2HG1 VAL 2 HG12 VAL 2 6.870 4.548 -7.504 166 3HG1 VAL 2 HG13 VAL 2 8.316 4.465 -8.507 167 1HG2 VAL 2 HG21 VAL 2 9.203 2.688 -7.064 168 2HG2 VAL 2 HG22 VAL 2 7.818 2.772 -6.006 169 3HG2 VAL 2 HG23 VAL 2 9.414 2.951 -5.326 170 H ASN 3 HN ASN 3 8.432 7.139 -6.725 171 HA ASN 3 HA ASN 3 9.821 8.843 -4.733 172 1HB ASN 3 HB2 ASN 3 8.265 10.641 -5.716 173 2HB ASN 3 HB1 ASN 3 9.557 10.066 -6.776 174 1HD2 ASN 3 HD21 ASN 3 8.525 10.309 -8.787 175 2HD2 ASN 3 HD22 ASN 3 7.079 9.459 -9.198 176 H GLN 4 HN GLN 4 8.315 6.516 -4.145 177 HA GLN 4 HA GLN 4 6.425 5.725 -3.181 178 1HB GLN 4 HB2 GLN 4 7.933 7.523 -1.501 179 2HB GLN 4 HB1 GLN 4 6.257 7.521 -1.012 180 1HG GLN 4 HG2 GLN 4 7.780 5.008 -1.515 181 2HG GLN 4 HG1 GLN 4 7.664 5.779 0.061 182 1HE2 GLN 4 HE21 GLN 4 6.596 3.271 -0.133 183 2HE2 GLN 4 HE22 GLN 4 4.877 3.325 -0.176 184 H ALA 5 HN ALA 5 4.516 7.185 -1.542 185 HA ALA 5 HA ALA 5 2.600 8.538 -1.773 186 1HB ALA 5 HB1 ALA 5 3.035 8.791 -4.757 187 2HB ALA 5 HB2 ALA 5 3.932 9.830 -3.642 188 3HB ALA 5 HB3 ALA 5 2.176 9.855 -3.649 189 H LEU 6 HN LEU 6 1.122 6.909 -1.519 190 HA LEU 6 HA LEU 6 0.963 4.871 -3.702 191 1HB LEU 6 HB2 LEU 6 0.860 4.827 -0.750 192 2HB LEU 6 HB1 LEU 6 -0.177 3.716 -1.566 193 HG LEU 6 HG LEU 6 2.286 3.032 -0.940 194 1HD1 LEU 6 HD11 LEU 6 0.984 1.482 -2.068 195 2HD1 LEU 6 HD12 LEU 6 2.321 1.716 -3.158 196 3HD1 LEU 6 HD13 LEU 6 0.781 2.503 -3.485 197 1HD2 LEU 6 HD21 LEU 6 3.917 3.525 -2.562 198 2HD2 LEU 6 HD22 LEU 6 3.201 5.059 -2.193 199 3HD2 LEU 6 HD23 LEU 6 2.776 4.229 -3.685 200 H CYS 7 HN CYS 7 -0.523 6.110 -4.972 201 HA CYS 7 HA CYS 7 -3.303 5.935 -3.893 202 1HB CYS 7 HB2 CYS 7 -2.841 7.700 -6.228 203 2HB CYS 7 HB1 CYS 7 -3.885 7.930 -4.822 204 H GLY 8 HN GLY 8 -4.907 5.160 -5.394 205 1HA GLY 8 HA2 GLY 8 -5.670 3.792 -7.119 206 2HA GLY 8 HA1 GLY 8 -4.400 4.505 -8.104 207 H SER 9 HN SER 9 -3.999 2.508 -9.127 208 HA SER 9 HA SER 9 -3.522 0.038 -7.865 209 1HB SER 9 HB2 SER 9 -3.370 -0.575 -10.021 210 2HB SER 9 HB1 SER 9 -3.318 1.119 -10.511 211 HG SER 9 HG SER 9 -1.150 1.055 -10.562 212 H ASP 10 HN ASP 10 -1.407 2.823 -8.141 213 HA ASP 10 HA ASP 10 1.120 1.768 -7.966 214 1HB ASP 10 HB2 ASP 10 -0.050 4.238 -7.272 215 2HB ASP 10 HB1 ASP 10 0.812 3.743 -5.816 216 H LEU 11 HN LEU 11 -1.423 1.527 -5.565 217 HA LEU 11 HA LEU 11 0.247 0.478 -3.458 218 1HB LEU 11 HB2 LEU 11 -2.705 0.256 -3.994 219 2HB LEU 11 HB1 LEU 11 -1.965 -0.238 -2.489 220 HG LEU 11 HG LEU 11 -1.343 2.550 -3.340 221 1HD1 LEU 11 HD11 LEU 11 -3.760 2.685 -1.904 222 2HD1 LEU 11 HD12 LEU 11 -4.071 1.590 -3.237 223 3HD1 LEU 11 HD13 LEU 11 -3.428 3.189 -3.567 224 1HD2 LEU 11 HD21 LEU 11 -0.513 1.642 -1.238 225 2HD2 LEU 11 HD22 LEU 11 -2.111 1.191 -0.769 226 3HD2 LEU 11 HD23 LEU 11 -1.690 2.877 -0.891 227 H VAL 12 HN VAL 12 -2.074 -1.036 -5.618 228 HA VAL 12 HA VAL 12 -1.396 -3.709 -4.928 229 HB VAL 12 HB VAL 12 -2.440 -4.334 -7.061 230 1HG1 VAL 12 HG11 VAL 12 -3.786 -3.513 -5.039 231 2HG1 VAL 12 HG12 VAL 12 -4.600 -3.448 -6.600 232 3HG1 VAL 12 HG13 VAL 12 -3.923 -1.982 -5.902 233 1HG2 VAL 12 HG21 VAL 12 -2.252 -1.430 -7.633 234 2HG2 VAL 12 HG22 VAL 12 -3.250 -2.487 -8.546 235 3HG2 VAL 12 HG23 VAL 12 -1.510 -2.690 -8.555 236 H GLU 13 HN GLU 13 0.054 -1.457 -7.258 237 HA GLU 13 HA GLU 13 1.779 -3.446 -8.469 238 1HB GLU 13 HB2 GLU 13 1.647 -0.427 -8.449 239 2HB GLU 13 HB1 GLU 13 3.085 -1.234 -9.096 240 1HG GLU 13 HG2 GLU 13 1.341 -2.660 -10.453 241 2HG GLU 13 HG1 GLU 13 0.266 -1.303 -10.103 242 H ALA 14 HN ALA 14 2.110 -1.079 -5.830 243 HA ALA 14 HA ALA 14 4.910 -1.814 -5.349 244 1HB ALA 14 HB1 ALA 14 4.334 0.392 -4.675 245 2HB ALA 14 HB2 ALA 14 4.493 -0.506 -3.166 246 3HB ALA 14 HB3 ALA 14 2.897 -0.162 -3.833 247 H LEU 15 HN LEU 15 1.730 -2.730 -4.256 248 HA LEU 15 HA LEU 15 2.638 -4.340 -2.047 249 1HB LEU 15 HB2 LEU 15 0.059 -4.100 -3.539 250 2HB LEU 15 HB1 LEU 15 0.264 -5.279 -2.260 251 HG LEU 15 HG LEU 15 1.198 -2.637 -1.502 252 1HD1 LEU 15 HD11 LEU 15 -1.617 -2.493 -1.197 253 2HD1 LEU 15 HD12 LEU 15 -1.297 -2.758 -2.890 254 3HD1 LEU 15 HD13 LEU 15 -0.540 -1.411 -2.022 255 1HD2 LEU 15 HD21 LEU 15 0.679 -4.869 -0.179 256 2HD2 LEU 15 HD22 LEU 15 -0.923 -4.152 -0.067 257 3HD2 LEU 15 HD23 LEU 15 0.481 -3.310 0.536 258 H TYR 16 HN TYR 16 1.649 -4.787 -5.364 259 HA TYR 16 HA TYR 16 1.722 -7.559 -5.639 260 1HB TYR 16 HB2 TYR 16 2.141 -5.210 -7.419 261 2HB TYR 16 HB1 TYR 16 2.955 -6.655 -7.961 262 HD1 TYR 16 HD1 TYR 16 0.122 -4.934 -8.501 263 HD2 TYR 16 HD2 TYR 16 1.406 -8.887 -7.447 264 HE1 TYR 16 HE1 TYR 16 -1.975 -5.839 -9.433 265 HE2 TYR 16 HE2 TYR 16 -0.686 -9.820 -8.414 266 HH TYR 16 HH TYR 16 -3.335 -8.369 -8.870 267 H LEU 17 HN LEU 17 4.280 -5.238 -5.249 268 HA LEU 17 HA LEU 17 6.293 -7.233 -6.007 269 1HB LEU 17 HB2 LEU 17 6.136 -4.329 -5.807 270 2HB LEU 17 HB1 LEU 17 7.534 -4.935 -4.918 271 HG LEU 17 HG LEU 17 8.170 -6.302 -6.939 272 1HD1 LEU 17 HD11 LEU 17 7.105 -5.651 -9.084 273 2HD1 LEU 17 HD12 LEU 17 5.934 -4.676 -8.197 274 3HD1 LEU 17 HD13 LEU 17 5.959 -6.428 -7.998 275 1HD2 LEU 17 HD21 LEU 17 7.910 -3.306 -7.357 276 2HD2 LEU 17 HD22 LEU 17 9.031 -4.380 -8.198 277 3HD2 LEU 17 HD23 LEU 17 9.203 -4.113 -6.465 278 H VAL 18 HN VAL 18 4.907 -5.912 -3.112 279 HA VAL 18 HA VAL 18 7.052 -7.146 -1.468 280 HB VAL 18 HB VAL 18 5.772 -6.112 0.459 281 1HG1 VAL 18 HG11 VAL 18 6.636 -4.244 -1.775 282 2HG1 VAL 18 HG12 VAL 18 7.705 -4.994 -0.589 283 3HG1 VAL 18 HG13 VAL 18 6.499 -3.821 -0.065 284 1HG2 VAL 18 HG21 VAL 18 4.169 -4.282 -0.255 285 2HG2 VAL 18 HG22 VAL 18 3.559 -5.908 -0.432 286 3HG2 VAL 18 HG23 VAL 18 4.155 -5.036 -1.814 287 H CYS 19 HN CYS 19 3.457 -7.313 -1.745 288 HA CYS 19 HA CYS 19 3.654 -10.015 -0.496 289 1HB CYS 19 HB2 CYS 19 1.625 -7.841 -0.381 290 2HB CYS 19 HB1 CYS 19 1.010 -9.484 -0.317 291 H GLY 20 HN GLY 20 4.203 -9.477 -3.308 292 1HA GLY 20 HA2 GLY 20 2.145 -9.867 -5.098 293 2HA GLY 20 HA1 GLY 20 3.715 -10.650 -5.278 294 H GLU 21 HN GLU 21 3.739 -12.440 -3.187 295 HA GLU 21 HA GLU 21 1.811 -14.440 -4.158 296 1HB GLU 21 HB2 GLU 21 4.334 -14.415 -2.679 297 2HB GLU 21 HB1 GLU 21 3.160 -15.465 -1.883 298 1HG GLU 21 HG2 GLU 21 2.832 -16.777 -3.829 299 2HG GLU 21 HG1 GLU 21 3.703 -15.622 -4.853 300 H ARG 22 HN ARG 22 1.358 -11.957 -2.110 301 HA ARG 22 HA ARG 22 -0.467 -13.505 -0.365 302 1HB ARG 22 HB2 ARG 22 0.394 -10.912 0.714 303 2HB ARG 22 HB1 ARG 22 0.293 -12.472 1.490 304 1HG ARG 22 HG2 ARG 22 2.542 -11.828 -0.437 305 2HG ARG 22 HG1 ARG 22 2.623 -11.509 1.273 306 1HD ARG 22 HD2 ARG 22 1.741 -14.082 1.320 307 2HD ARG 22 HD1 ARG 22 2.742 -14.064 -0.130 308 HE ARG 22 HE ARG 22 4.433 -14.200 1.159 309 1HH1 ARG 22 HH21 ARG 22 3.453 -15.586 3.075 310 2HH1 ARG 22 HH22 ARG 22 3.473 -14.718 4.574 311 1HH2 ARG 22 HH11 ARG 22 3.949 -11.615 3.080 312 2HH2 ARG 22 HH12 ARG 22 3.753 -12.465 4.577 313 H GLY 23 HN GLY 23 -0.704 -11.837 -3.021 314 1HA GLY 23 HA2 GLY 23 -2.174 -10.211 -3.877 315 2HA GLY 23 HA1 GLY 23 -3.333 -11.065 -2.856 316 H PHE 24 HN PHE 24 -4.356 -8.872 -2.588 317 HA PHE 24 HA PHE 24 -3.188 -7.572 -0.216 318 1HB PHE 24 HB2 PHE 24 -4.043 -5.397 -1.900 319 2HB PHE 24 HB1 PHE 24 -2.436 -5.726 -1.253 320 HD1 PHE 24 HD1 PHE 24 -4.488 -5.632 -4.191 321 HD2 PHE 24 HD2 PHE 24 -0.911 -7.328 -2.518 322 HE1 PHE 24 HE1 PHE 24 -3.656 -6.148 -6.472 323 HE2 PHE 24 HE2 PHE 24 -0.106 -7.876 -4.784 324 HZ PHE 24 HZ PHE 24 -1.490 -7.266 -6.708 325 H PHE 25 HN PHE 25 -4.820 -5.412 0.057 326 HA PHE 25 HA PHE 25 -7.609 -6.392 -0.286 327 1HB PHE 25 HB2 PHE 25 -6.949 -7.252 1.898 328 2HB PHE 25 HB1 PHE 25 -6.283 -5.677 2.357 329 HD1 PHE 25 HD1 PHE 25 -9.478 -7.176 1.065 330 HD2 PHE 25 HD2 PHE 25 -7.619 -4.260 3.619 331 HE1 PHE 25 HE1 PHE 25 -11.712 -6.482 1.901 332 HE2 PHE 25 HE2 PHE 25 -9.851 -3.568 4.454 333 HZ PHE 25 HZ PHE 25 -11.896 -4.678 3.596 334 H TYR 26 HN TYR 26 -5.936 -4.178 -1.413 335 HA TYR 26 HA TYR 26 -6.929 -1.750 -0.122 336 1HB TYR 26 HB2 TYR 26 -5.064 -1.019 -1.161 337 2HB TYR 26 HB1 TYR 26 -4.984 -2.437 -2.206 338 HD1 TYR 26 HD1 TYR 26 -6.864 0.777 -1.771 339 HD2 TYR 26 HD2 TYR 26 -5.415 -2.202 -4.471 340 HE1 TYR 26 HE1 TYR 26 -7.605 2.164 -3.691 341 HE2 TYR 26 HE2 TYR 26 -6.128 -0.822 -6.412 342 HH TYR 26 HH TYR 26 -6.564 1.890 -6.702 343 H THR 27 HN THR 27 -9.006 -1.076 -0.398 344 HA THR 27 HA THR 27 -10.292 -1.553 -3.068 345 HB THR 27 HB THR 27 -12.458 -1.662 -1.462 346 HG1 THR 27 HG1 THR 27 -11.499 -1.509 0.507 347 1HG2 THR 27 HG21 THR 27 -10.576 -3.990 -1.923 348 2HG2 THR 27 HG22 THR 27 -11.768 -3.384 -3.077 349 3HG2 THR 27 HG23 THR 27 -12.297 -4.095 -1.554 350 H LYS 28 HN LYS 28 -11.942 -0.013 -3.610 351 HA LYS 28 HA LYS 28 -12.916 2.118 -2.256 352 1HB LYS 28 HB2 LYS 28 -10.824 2.924 -1.476 353 2HB LYS 28 HB1 LYS 28 -10.070 2.722 -3.064 354 1HG LYS 28 HG2 LYS 28 -12.323 4.516 -3.336 355 2HG LYS 28 HG1 LYS 28 -11.386 4.955 -1.939 356 1HD LYS 28 HD2 LYS 28 -9.332 4.904 -3.372 357 2HD LYS 28 HD1 LYS 28 -10.381 4.603 -4.767 358 1HE LYS 28 HE2 LYS 28 -9.668 7.052 -4.215 359 2HE LYS 28 HE1 LYS 28 -11.347 6.731 -4.650 360 1HZ LYS 28 HZ1 LYS 28 -10.438 6.738 -1.815 361 2HZ LYS 28 HZ2 LYS 28 -12.026 6.871 -2.420 362 3HZ LYS 28 HZ3 LYS 28 -10.938 8.136 -2.613 363 HA PRO 29 HA PRO 29 -14.167 2.533 -6.553 364 1HB PRO 29 HB2 PRO 29 -16.139 4.388 -6.125 365 2HB PRO 29 HB1 PRO 29 -16.313 2.671 -5.775 366 1HG PRO 29 HG2 PRO 29 -15.916 4.939 -3.865 367 2HG PRO 29 HG1 PRO 29 -16.735 3.390 -3.605 368 1HD PRO 29 HD2 PRO 29 -14.126 4.050 -2.737 369 2HD PRO 29 HD1 PRO 29 -14.835 2.429 -2.790 370 H THR 30 HN THR 30 -14.064 4.151 -8.241 371 HA THR 30 HA THR 30 -12.792 6.747 -7.435 372 HB THR 30 HB THR 30 -11.237 6.544 -9.316 373 HG1 THR 30 HG1 THR 30 -12.207 5.332 -10.831 374 1HG2 THR 30 HG21 THR 30 -9.850 4.738 -8.492 375 2HG2 THR 30 HG22 THR 30 -11.226 3.988 -7.690 376 3HG2 THR 30 HG23 THR 30 -10.609 5.541 -7.118
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