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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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627570 |
6gif ![]() ![]() |
34270 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -21.151 -2.449 -23.357 2 H2 MET 1 2H MET 1 -21.136 -2.318 -25.041 3 H3 MET 1 3H MET 1 -21.107 -0.923 -24.084 4 HA MET 1 HA MET 1 -18.980 -2.976 -24.194 5 HB2 MET 1 1HB MET 1 -19.122 -1.667 -26.262 6 HB3 MET 1 2HB MET 1 -19.067 -0.176 -25.333 7 HG2 MET 1 1HG MET 1 -16.915 -0.731 -26.370 8 HG3 MET 1 2HG MET 1 -16.820 -0.649 -24.611 9 HE1 MET 1 1HE MET 1 -14.479 -1.915 -24.646 10 HE2 MET 1 2HE MET 1 -14.564 -1.954 -26.407 11 HE3 MET 1 3HE MET 1 -14.207 -3.430 -25.508 12 H ALA 2 H ALA 2 -17.280 -2.688 -22.806 13 HA ALA 2 HA ALA 2 -16.132 -2.030 -20.969 14 HB1 ALA 2 1HB ALA 2 -15.922 0.345 -20.501 15 HB2 ALA 2 2HB ALA 2 -17.305 0.688 -21.540 16 HB3 ALA 2 3HB ALA 2 -15.820 0.042 -22.236 17 H THR 3 H THR 3 -18.253 -3.389 -20.285 18 HA THR 3 HA THR 3 -18.961 -2.282 -17.726 19 HB THR 3 HB THR 3 -20.657 -1.288 -19.255 20 HG1 THR 3 HG1 THR 3 -21.130 -2.767 -17.004 21 HG21 THR 3 1HG2 THR 3 -22.426 -2.739 -20.165 22 HG22 THR 3 2HG2 THR 3 -21.516 -4.154 -19.635 23 HG23 THR 3 3HG2 THR 3 -20.850 -3.090 -20.874 24 H LYS 4 H LYS 4 -17.785 -4.666 -19.272 25 HA LYS 4 HA LYS 4 -19.423 -6.810 -18.109 26 HB2 LYS 4 1HB LYS 4 -17.310 -6.985 -20.264 27 HB3 LYS 4 2HB LYS 4 -18.290 -8.321 -19.679 28 HG2 LYS 4 1HG LYS 4 -19.413 -5.864 -20.999 29 HG3 LYS 4 2HG LYS 4 -19.019 -7.354 -21.854 30 HD2 LYS 4 1HD LYS 4 -20.618 -8.573 -20.445 31 HD3 LYS 4 2HD LYS 4 -21.016 -7.070 -19.606 32 HE2 LYS 4 1HE LYS 4 -21.829 -6.101 -21.671 33 HE3 LYS 4 2HE LYS 4 -21.355 -7.542 -22.566 34 HZ1 LYS 4 1HZ LYS 4 -23.739 -7.464 -22.051 35 HZ2 LYS 4 2HZ LYS 4 -23.382 -7.493 -20.401 36 HZ3 LYS 4 3HZ LYS 4 -22.983 -8.815 -21.371 37 H HIS 5 H HIS 5 -17.229 -5.051 -16.882 38 HA HIS 5 HA HIS 5 -15.240 -7.059 -16.172 39 HB2 HIS 5 1HB HIS 5 -15.533 -4.232 -15.126 40 HB3 HIS 5 2HB HIS 5 -14.161 -5.297 -14.868 41 HD1 HIS 5 HD1 HIS 5 -15.245 -2.606 -16.948 42 HD2 HIS 5 HD2 HIS 5 -12.867 -5.973 -17.499 43 HE1 HIS 5 HE1 HIS 5 -13.875 -2.140 -19.003 44 HE2 HIS 5 HE2 HIS 5 -12.540 -4.235 -19.389 45 H GLY 6 H GLY 6 -18.103 -5.582 -14.937 46 HA2 GLY 6 1HA GLY 6 -19.438 -6.826 -13.357 47 HA3 GLY 6 2HA GLY 6 -17.946 -7.347 -12.586 48 H LYS 7 H LYS 7 -19.999 -6.251 -11.107 49 HA LYS 7 HA LYS 7 -19.375 -3.467 -10.630 50 HB2 LYS 7 1HB LYS 7 -21.035 -3.741 -8.748 51 HB3 LYS 7 2HB LYS 7 -21.670 -3.946 -10.373 52 HG2 LYS 7 1HG LYS 7 -21.548 -6.384 -10.077 53 HG3 LYS 7 2HG LYS 7 -20.964 -6.140 -8.431 54 HD2 LYS 7 1HD LYS 7 -23.029 -5.024 -7.832 55 HD3 LYS 7 2HD LYS 7 -23.605 -5.147 -9.495 56 HE2 LYS 7 1HE LYS 7 -24.642 -6.865 -8.156 57 HE3 LYS 7 2HE LYS 7 -23.532 -7.604 -9.307 58 HZ1 LYS 7 1HZ LYS 7 -21.906 -7.847 -7.550 59 HZ2 LYS 7 2HZ LYS 7 -23.358 -8.584 -7.095 60 HZ3 LYS 7 3HZ LYS 7 -22.934 -7.084 -6.446 61 H ASN 8 H ASN 8 -17.830 -6.092 -10.000 62 HA ASN 8 HA ASN 8 -17.002 -5.438 -7.273 63 HB2 ASN 8 1HB ASN 8 -15.822 -7.575 -7.288 64 HB3 ASN 8 2HB ASN 8 -17.502 -7.804 -7.757 65 HD21 ASN 8 1HD2 ASN 8 -15.088 -9.416 -8.275 66 HD22 ASN 8 2HD2 ASN 8 -15.020 -9.606 -9.992 67 H SER 9 H SER 9 -15.995 -5.206 -10.539 68 HA SER 9 HA SER 9 -13.293 -5.256 -10.514 69 HB2 SER 9 1HB SER 9 -14.679 -4.940 -12.529 70 HB3 SER 9 2HB SER 9 -14.994 -3.277 -12.038 71 HG SER 9 HG SER 9 -13.257 -2.858 -13.137 72 H TRP 10 H TRP 10 -15.242 -2.361 -9.689 73 HA TRP 10 HA TRP 10 -13.123 -0.585 -9.359 74 HB2 TRP 10 1HB TRP 10 -14.646 0.849 -8.265 75 HB3 TRP 10 2HB TRP 10 -15.654 -0.086 -9.361 76 HD1 TRP 10 HD1 TRP 10 -17.488 -1.659 -8.283 77 HE1 TRP 10 HE1 TRP 10 -18.382 -1.945 -5.886 78 HE3 TRP 10 HE3 TRP 10 -13.830 0.867 -5.765 79 HZ2 TRP 10 HZ2 TRP 10 -17.624 -1.202 -3.268 80 HZ3 TRP 10 HZ3 TRP 10 -13.988 1.027 -3.310 81 HH2 TRP 10 HH2 TRP 10 -15.838 0.002 -2.092 82 H LYS 11 H LYS 11 -14.404 -3.092 -7.401 83 HA LYS 11 HA LYS 11 -13.183 -2.219 -4.941 84 HB2 LYS 11 1HB LYS 11 -15.416 -3.593 -5.430 85 HB3 LYS 11 2HB LYS 11 -14.307 -4.950 -5.312 86 HG2 LYS 11 1HG LYS 11 -13.668 -3.395 -3.139 87 HG3 LYS 11 2HG LYS 11 -15.416 -3.262 -3.268 88 HD2 LYS 11 1HD LYS 11 -14.784 -5.124 -1.824 89 HD3 LYS 11 2HD LYS 11 -15.620 -5.691 -3.270 90 HE2 LYS 11 1HE LYS 11 -13.449 -6.252 -4.291 91 HE3 LYS 11 2HE LYS 11 -12.634 -5.682 -2.836 92 HZ1 LYS 11 1HZ LYS 11 -14.572 -7.929 -2.918 93 HZ2 LYS 11 2HZ LYS 11 -13.687 -7.419 -1.569 94 HZ3 LYS 11 3HZ LYS 11 -12.892 -8.101 -2.894 95 H THR 12 H THR 12 -12.702 -4.457 -7.524 96 HA THR 12 HA THR 12 -10.554 -5.911 -6.431 97 HB THR 12 HB THR 12 -10.725 -5.405 -9.371 98 HG1 THR 12 HG1 THR 12 -12.485 -6.827 -9.502 99 HG21 THR 12 1HG2 THR 12 -10.182 -7.758 -9.447 100 HG22 THR 12 2HG2 THR 12 -10.377 -7.877 -7.697 101 HG23 THR 12 3HG2 THR 12 -9.053 -6.920 -8.373 102 H LEU 13 H LEU 13 -10.850 -2.885 -8.170 103 HA LEU 13 HA LEU 13 -8.073 -2.348 -8.467 104 HB2 LEU 13 1HB LEU 13 -9.994 -0.135 -7.863 105 HB3 LEU 13 2HB LEU 13 -8.677 -0.155 -9.017 106 HG LEU 13 HG LEU 13 -11.418 -1.318 -9.295 107 HD11 LEU 13 1HD1 LEU 13 -9.959 0.850 -10.797 108 HD12 LEU 13 2HD1 LEU 13 -11.268 1.074 -9.638 109 HD13 LEU 13 3HD1 LEU 13 -11.577 0.256 -11.169 110 HD21 LEU 13 1HD2 LEU 13 -9.830 -2.865 -10.328 111 HD22 LEU 13 2HD2 LEU 13 -9.073 -1.533 -11.202 112 HD23 LEU 13 3HD2 LEU 13 -10.732 -2.004 -11.575 113 H TYR 14 H TYR 14 -10.288 -2.320 -5.916 114 HA TYR 14 HA TYR 14 -9.073 -0.160 -4.470 115 HB2 TYR 14 1HB TYR 14 -11.600 -0.737 -4.854 116 HB3 TYR 14 2HB TYR 14 -11.344 -1.777 -3.456 117 HD1 TYR 14 HD1 TYR 14 -11.028 -0.877 -1.290 118 HD2 TYR 14 HD2 TYR 14 -11.311 1.637 -4.700 119 HE1 TYR 14 HE1 TYR 14 -11.222 1.056 0.193 120 HE2 TYR 14 HE2 TYR 14 -11.522 3.613 -3.229 121 HH TYR 14 HH TYR 14 -10.861 3.496 0.119 122 H LEU 15 H LEU 15 -9.949 -3.535 -3.845 123 HA LEU 15 HA LEU 15 -8.586 -3.716 -1.386 124 HB2 LEU 15 1HB LEU 15 -8.926 -6.058 -1.543 125 HB3 LEU 15 2HB LEU 15 -10.307 -5.326 -2.339 126 HG LEU 15 HG LEU 15 -8.538 -5.717 -4.420 127 HD11 LEU 15 1HD1 LEU 15 -8.410 -8.105 -2.589 128 HD12 LEU 15 2HD1 LEU 15 -7.066 -7.047 -3.017 129 HD13 LEU 15 3HD1 LEU 15 -7.831 -8.046 -4.253 130 HD21 LEU 15 1HD2 LEU 15 -10.920 -6.072 -4.506 131 HD22 LEU 15 2HD2 LEU 15 -10.776 -7.480 -3.448 132 HD23 LEU 15 3HD2 LEU 15 -10.076 -7.518 -5.067 133 H LYS 16 H LYS 16 -7.618 -3.717 -4.663 134 HA LYS 16 HA LYS 16 -4.981 -4.778 -4.291 135 HB2 LYS 16 1HB LYS 16 -6.087 -4.962 -6.478 136 HB3 LYS 16 2HB LYS 16 -6.255 -3.220 -6.556 137 HG2 LYS 16 1HG LYS 16 -3.543 -4.455 -6.348 138 HG3 LYS 16 2HG LYS 16 -4.376 -4.369 -7.900 139 HD2 LYS 16 1HD LYS 16 -4.045 -1.950 -6.142 140 HD3 LYS 16 2HD LYS 16 -2.784 -2.449 -7.284 141 HE2 LYS 16 1HE LYS 16 -5.652 -1.866 -8.026 142 HE3 LYS 16 2HE LYS 16 -4.317 -0.728 -8.203 143 HZ1 LYS 16 1HZ LYS 16 -4.553 -3.358 -9.568 144 HZ2 LYS 16 2HZ LYS 16 -3.248 -2.295 -9.716 145 HZ3 LYS 16 3HZ LYS 16 -4.773 -1.842 -10.284 146 H ILE 17 H ILE 17 -6.582 -1.694 -4.655 147 HA ILE 17 HA ILE 17 -4.426 0.020 -4.892 148 HB ILE 17 HB ILE 17 -7.161 0.273 -4.876 149 HG12 ILE 17 1HG1 ILE 17 -6.604 2.775 -5.116 150 HG13 ILE 17 2HG1 ILE 17 -4.928 2.275 -4.874 151 HG21 ILE 17 1HG2 ILE 17 -6.160 1.860 -2.503 152 HG22 ILE 17 2HG2 ILE 17 -7.284 0.500 -2.445 153 HG23 ILE 17 3HG2 ILE 17 -7.754 1.999 -3.248 154 HD11 ILE 17 1HD1 ILE 17 -5.554 2.471 -7.254 155 HD12 ILE 17 2HD1 ILE 17 -6.752 1.192 -7.009 156 HD13 ILE 17 3HD1 ILE 17 -5.035 0.845 -6.806 157 H SER 18 H SER 18 -5.892 -1.374 -2.105 158 HA SER 18 HA SER 18 -4.401 0.336 -0.313 159 HB2 SER 18 1HB SER 18 -6.726 -0.334 0.252 160 HB3 SER 18 2HB SER 18 -6.219 -2.020 0.303 161 HG SER 18 HG SER 18 -5.199 0.050 1.965 162 H PHE 19 H PHE 19 -4.468 -2.903 -1.533 163 HA PHE 19 HA PHE 19 -2.677 -4.229 0.090 164 HB2 PHE 19 1HB PHE 19 -3.619 -5.707 -1.342 165 HB3 PHE 19 2HB PHE 19 -3.748 -4.509 -2.628 166 HD1 PHE 19 HD1 PHE 19 -2.402 -4.635 -4.449 167 HD2 PHE 19 HD2 PHE 19 -1.218 -6.637 -0.889 168 HE1 PHE 19 HE1 PHE 19 -0.486 -5.572 -5.632 169 HE2 PHE 19 HE2 PHE 19 0.707 -7.600 -2.068 170 HZ PHE 19 HZ PHE 19 1.077 -7.076 -4.449 171 H LEU 20 H LEU 20 -1.850 -2.703 -3.080 172 HA LEU 20 HA LEU 20 0.938 -3.136 -2.522 173 HB2 LEU 20 1HB LEU 20 1.448 -2.266 -4.616 174 HB3 LEU 20 2HB LEU 20 -0.114 -3.017 -4.851 175 HG LEU 20 HG LEU 20 0.344 -0.057 -4.486 176 HD11 LEU 20 1HD1 LEU 20 1.257 -0.831 -6.594 177 HD12 LEU 20 2HD1 LEU 20 -0.225 0.083 -6.872 178 HD13 LEU 20 3HD1 LEU 20 -0.246 -1.679 -6.959 179 HD21 LEU 20 1HD2 LEU 20 -1.812 -0.459 -3.731 180 HD22 LEU 20 2HD2 LEU 20 -2.081 -1.745 -4.923 181 HD23 LEU 20 3HD2 LEU 20 -2.037 -0.052 -5.440 182 H GLY 21 H GLY 21 -1.361 -0.735 -1.920 183 HA2 GLY 21 1HA GLY 21 0.350 1.461 -1.400 184 HA3 GLY 21 2HA GLY 21 -1.296 1.233 -0.826 185 H CYS 22 H CYS 22 -0.109 -1.453 0.167 186 HA CYS 22 HA CYS 22 0.500 -0.612 2.869 187 HB2 CYS 22 1HB CYS 22 0.253 -3.344 1.592 188 HB3 CYS 22 2HB CYS 22 0.641 -3.073 3.282 189 HG CYS 22 HG CYS 22 -2.242 -1.826 1.972 190 H LYS 23 H LYS 23 1.831 -2.494 0.269 191 HA LYS 23 HA LYS 23 4.399 -2.984 1.090 192 HB2 LYS 23 1HB LYS 23 3.454 -2.098 -1.609 193 HB3 LYS 23 2HB LYS 23 4.956 -2.943 -1.281 194 HG2 LYS 23 1HG LYS 23 3.757 -4.930 -0.627 195 HG3 LYS 23 2HG LYS 23 2.218 -4.081 -0.752 196 HD2 LYS 23 1HD LYS 23 2.426 -5.393 -2.714 197 HD3 LYS 23 2HD LYS 23 2.744 -3.726 -3.191 198 HE2 LYS 23 1HE LYS 23 4.335 -5.199 -4.248 199 HE3 LYS 23 2HE LYS 23 5.160 -4.178 -3.072 200 HZ1 LYS 23 1HZ LYS 23 4.279 -6.957 -2.528 201 HZ2 LYS 23 2HZ LYS 23 5.248 -5.984 -1.539 202 HZ3 LYS 23 3HZ LYS 23 5.842 -6.540 -3.022 203 H VAL 24 H VAL 24 2.957 -0.229 -0.377 204 HA VAL 24 HA VAL 24 5.410 1.244 -0.461 205 HB VAL 24 HB VAL 24 2.618 2.185 -0.989 206 HG11 VAL 24 1HG1 VAL 24 5.265 3.425 -1.693 207 HG12 VAL 24 2HG1 VAL 24 4.108 4.033 -0.511 208 HG13 VAL 24 3HG1 VAL 24 3.692 4.015 -2.226 209 HG21 VAL 24 1HG2 VAL 24 3.294 0.349 -2.444 210 HG22 VAL 24 2HG2 VAL 24 4.748 1.241 -2.890 211 HG23 VAL 24 3HG2 VAL 24 3.161 1.860 -3.349 212 H VAL 25 H VAL 25 2.691 0.891 1.600 213 HA VAL 25 HA VAL 25 3.151 3.135 3.265 214 HB VAL 25 HB VAL 25 1.657 0.619 3.515 215 HG11 VAL 25 1HG1 VAL 25 3.131 0.328 5.462 216 HG12 VAL 25 2HG1 VAL 25 1.468 0.660 5.948 217 HG13 VAL 25 3HG1 VAL 25 2.683 1.936 6.032 218 HG21 VAL 25 1HG2 VAL 25 0.077 2.139 4.618 219 HG22 VAL 25 2HG2 VAL 25 0.615 2.720 3.042 220 HG23 VAL 25 3HG2 VAL 25 1.292 3.416 4.521 221 H ALA 26 H ALA 26 4.576 -0.023 2.974 222 HA ALA 26 HA ALA 26 6.117 0.074 5.313 223 HB1 ALA 26 1HB ALA 26 7.451 -1.707 4.301 224 HB2 ALA 26 2HB ALA 26 6.672 -1.403 2.748 225 HB3 ALA 26 3HB ALA 26 5.724 -2.003 4.107 226 H LEU 27 H LEU 27 6.607 1.444 2.093 227 HA LEU 27 HA LEU 27 9.286 2.231 2.918 228 HB2 LEU 27 1HB LEU 27 9.641 3.046 0.688 229 HB3 LEU 27 2HB LEU 27 8.984 1.425 0.645 230 HG LEU 27 HG LEU 27 6.701 2.696 0.291 231 HD11 LEU 27 1HD1 LEU 27 6.972 4.722 -1.042 232 HD12 LEU 27 2HD1 LEU 27 8.713 4.679 -0.765 233 HD13 LEU 27 3HD1 LEU 27 7.612 4.941 0.587 234 HD21 LEU 27 1HD2 LEU 27 7.069 2.529 -2.134 235 HD22 LEU 27 2HD2 LEU 27 7.665 1.115 -1.267 236 HD23 LEU 27 3HD2 LEU 27 8.797 2.338 -1.845 237 H LEU 28 H LEU 28 6.138 3.565 2.669 238 HA LEU 28 HA LEU 28 7.015 6.316 2.761 239 HB2 LEU 28 1HB LEU 28 5.151 6.133 1.465 240 HB3 LEU 28 2HB LEU 28 4.462 4.852 2.437 241 HG LEU 28 HG LEU 28 4.409 7.116 4.073 242 HD11 LEU 28 1HD1 LEU 28 4.821 8.514 2.114 243 HD12 LEU 28 2HD1 LEU 28 3.188 8.746 2.737 244 HD13 LEU 28 3HD1 LEU 28 3.448 7.770 1.290 245 HD21 LEU 28 1HD2 LEU 28 2.824 5.261 3.986 246 HD22 LEU 28 2HD2 LEU 28 2.243 5.835 2.419 247 HD23 LEU 28 3HD2 LEU 28 2.006 6.822 3.861 248 H LYS 29 H LYS 29 4.696 4.552 4.859 249 HA LYS 29 HA LYS 29 5.317 6.365 7.037 250 HB2 LYS 29 1HB LYS 29 3.340 4.105 6.767 251 HB3 LYS 29 2HB LYS 29 3.600 4.958 8.281 252 HG2 LYS 29 1HG LYS 29 2.884 7.035 7.271 253 HG3 LYS 29 2HG LYS 29 2.699 6.235 5.711 254 HD2 LYS 29 1HD LYS 29 0.991 4.758 6.701 255 HD3 LYS 29 2HD LYS 29 1.155 5.622 8.229 256 HE2 LYS 29 1HE LYS 29 0.276 6.827 5.607 257 HE3 LYS 29 2HE LYS 29 -0.785 6.397 6.947 258 HZ1 LYS 29 1HZ LYS 29 0.413 8.004 8.327 259 HZ2 LYS 29 2HZ LYS 29 -0.299 8.738 6.983 260 HZ3 LYS 29 3HZ LYS 29 1.364 8.446 6.998 261 H ARG 30 H ARG 30 5.842 3.143 6.037 262 HA ARG 30 HA ARG 30 7.240 1.512 6.677 263 HB2 ARG 30 1HB ARG 30 8.440 3.623 8.477 264 HB3 ARG 30 2HB ARG 30 9.135 2.032 8.210 265 HG2 ARG 30 1HG ARG 30 9.419 2.546 5.844 266 HG3 ARG 30 2HG ARG 30 8.709 4.141 6.104 267 HD2 ARG 30 1HD ARG 30 11.138 4.279 6.059 268 HD3 ARG 30 2HD ARG 30 10.517 4.690 7.656 269 HE ARG 30 HE ARG 30 11.529 1.986 7.090 270 HH11 ARG 30 1HH1 ARG 30 11.653 4.962 8.931 271 HH12 ARG 30 2HH1 ARG 30 12.785 4.343 10.089 272 HH21 ARG 30 1HH2 ARG 30 13.018 1.169 8.617 273 HH22 ARG 30 2HH2 ARG 30 13.560 2.192 9.910 Start of MODEL 2 1 H1 MET 1 1H MET 1 -13.918 -5.906 -27.578 2 H2 MET 1 2H MET 1 -14.137 -5.366 -25.991 3 H3 MET 1 3H MET 1 -14.933 -6.756 -26.528 4 HA MET 1 HA MET 1 -12.867 -7.919 -26.775 5 HB2 MET 1 1HB MET 1 -11.544 -5.871 -27.331 6 HB3 MET 1 2HB MET 1 -11.605 -5.414 -25.637 7 HG2 MET 1 1HG MET 1 -10.410 -7.491 -25.063 8 HG3 MET 1 2HG MET 1 -10.293 -7.869 -26.780 9 HE1 MET 1 1HE MET 1 -8.244 -4.236 -24.795 10 HE2 MET 1 2HE MET 1 -9.303 -5.363 -23.947 11 HE3 MET 1 3HE MET 1 -9.969 -4.262 -25.153 12 H ALA 2 H ALA 2 -14.814 -8.370 -25.154 13 HA ALA 2 HA ALA 2 -15.457 -9.141 -23.121 14 HB1 ALA 2 1HB ALA 2 -13.744 -10.209 -21.754 15 HB2 ALA 2 2HB ALA 2 -12.484 -9.391 -22.679 16 HB3 ALA 2 3HB ALA 2 -13.517 -10.586 -23.461 17 H THR 3 H THR 3 -16.285 -7.005 -22.590 18 HA THR 3 HA THR 3 -14.632 -5.588 -20.624 19 HB THR 3 HB THR 3 -15.323 -4.114 -22.383 20 HG1 THR 3 HG1 THR 3 -15.460 -3.372 -20.137 21 HG21 THR 3 1HG2 THR 3 -18.162 -4.930 -21.768 22 HG22 THR 3 2HG2 THR 3 -17.253 -5.362 -23.216 23 HG23 THR 3 3HG2 THR 3 -17.673 -3.677 -22.907 24 H LYS 4 H LYS 4 -15.068 -5.814 -18.576 25 HA LYS 4 HA LYS 4 -17.770 -6.663 -17.772 26 HB2 LYS 4 1HB LYS 4 -16.063 -8.403 -17.404 27 HB3 LYS 4 2HB LYS 4 -15.126 -7.275 -16.436 28 HG2 LYS 4 1HG LYS 4 -16.858 -7.202 -14.760 29 HG3 LYS 4 2HG LYS 4 -17.906 -8.216 -15.755 30 HD2 LYS 4 1HD LYS 4 -16.856 -9.547 -14.015 31 HD3 LYS 4 2HD LYS 4 -16.262 -10.038 -15.600 32 HE2 LYS 4 1HE LYS 4 -14.255 -8.639 -15.241 33 HE3 LYS 4 2HE LYS 4 -14.844 -8.255 -13.625 34 HZ1 LYS 4 1HZ LYS 4 -14.755 -10.620 -13.089 35 HZ2 LYS 4 2HZ LYS 4 -13.236 -10.033 -13.540 36 HZ3 LYS 4 3HZ LYS 4 -14.143 -10.958 -14.627 37 H HIS 5 H HIS 5 -18.602 -4.660 -17.369 38 HA HIS 5 HA HIS 5 -17.168 -2.849 -15.587 39 HB2 HIS 5 1HB HIS 5 -18.334 -1.982 -17.631 40 HB3 HIS 5 2HB HIS 5 -19.864 -2.472 -16.915 41 HD1 HIS 5 HD1 HIS 5 -21.033 -0.684 -15.679 42 HD2 HIS 5 HD2 HIS 5 -16.932 -0.019 -15.836 43 HE1 HIS 5 HE1 HIS 5 -20.668 1.550 -14.587 44 HE2 HIS 5 HE2 HIS 5 -18.208 2.009 -14.863 45 H GLY 6 H GLY 6 -17.388 -4.646 -13.954 46 HA2 GLY 6 1HA GLY 6 -20.020 -5.069 -12.841 47 HA3 GLY 6 2HA GLY 6 -18.508 -5.737 -12.240 48 H LYS 7 H LYS 7 -20.584 -4.629 -10.647 49 HA LYS 7 HA LYS 7 -19.695 -2.006 -9.830 50 HB2 LYS 7 1HB LYS 7 -22.107 -2.799 -9.792 51 HB3 LYS 7 2HB LYS 7 -21.669 -3.804 -8.419 52 HG2 LYS 7 1HG LYS 7 -22.713 -1.776 -7.659 53 HG3 LYS 7 2HG LYS 7 -21.019 -1.791 -7.175 54 HD2 LYS 7 1HD LYS 7 -20.458 -0.324 -9.039 55 HD3 LYS 7 2HD LYS 7 -22.139 -0.335 -9.572 56 HE2 LYS 7 1HE LYS 7 -21.184 0.681 -6.898 57 HE3 LYS 7 2HE LYS 7 -21.510 1.699 -8.299 58 HZ1 LYS 7 1HZ LYS 7 -23.800 1.033 -8.250 59 HZ2 LYS 7 2HZ LYS 7 -23.369 1.603 -6.719 60 HZ3 LYS 7 3HZ LYS 7 -23.512 -0.057 -6.991 61 H ASN 8 H ASN 8 -18.234 -4.724 -9.584 62 HA ASN 8 HA ASN 8 -17.368 -4.352 -6.798 63 HB2 ASN 8 1HB ASN 8 -16.718 -6.674 -6.738 64 HB3 ASN 8 2HB ASN 8 -18.378 -6.576 -7.318 65 HD21 ASN 8 1HD2 ASN 8 -18.838 -7.124 -9.443 66 HD22 ASN 8 2HD2 ASN 8 -17.702 -7.961 -10.446 67 H SER 9 H SER 9 -16.435 -4.412 -10.109 68 HA SER 9 HA SER 9 -13.762 -4.735 -10.169 69 HB2 SER 9 1HB SER 9 -15.227 -2.530 -11.624 70 HB3 SER 9 2HB SER 9 -13.750 -3.348 -12.136 71 HG SER 9 HG SER 9 -14.904 -4.930 -12.898 72 H TRP 10 H TRP 10 -15.424 -1.745 -9.157 73 HA TRP 10 HA TRP 10 -13.168 -0.106 -8.978 74 HB2 TRP 10 1HB TRP 10 -14.528 1.420 -7.786 75 HB3 TRP 10 2HB TRP 10 -15.656 0.564 -8.830 76 HD1 TRP 10 HD1 TRP 10 -17.523 -0.907 -7.658 77 HE1 TRP 10 HE1 TRP 10 -18.279 -1.181 -5.216 78 HE3 TRP 10 HE3 TRP 10 -13.586 1.371 -5.350 79 HZ2 TRP 10 HZ2 TRP 10 -17.326 -0.515 -2.641 80 HZ3 TRP 10 HZ3 TRP 10 -13.582 1.515 -2.887 81 HH2 TRP 10 HH2 TRP 10 -15.410 0.582 -1.565 82 H LYS 11 H LYS 11 -14.521 -2.530 -6.956 83 HA LYS 11 HA LYS 11 -13.074 -1.781 -4.583 84 HB2 LYS 11 1HB LYS 11 -15.426 -2.980 -4.916 85 HB3 LYS 11 2HB LYS 11 -14.420 -4.421 -4.906 86 HG2 LYS 11 1HG LYS 11 -13.519 -2.925 -2.766 87 HG3 LYS 11 2HG LYS 11 -15.266 -2.740 -2.752 88 HD2 LYS 11 1HD LYS 11 -14.597 -4.653 -1.402 89 HD3 LYS 11 2HD LYS 11 -15.529 -5.173 -2.807 90 HE2 LYS 11 1HE LYS 11 -13.446 -5.750 -3.970 91 HE3 LYS 11 2HE LYS 11 -12.523 -5.217 -2.567 92 HZ1 LYS 11 1HZ LYS 11 -12.827 -7.640 -2.653 93 HZ2 LYS 11 2HZ LYS 11 -14.501 -7.429 -2.538 94 HZ3 LYS 11 3HZ LYS 11 -13.500 -6.960 -1.260 95 H THR 12 H THR 12 -12.903 -3.963 -7.228 96 HA THR 12 HA THR 12 -10.792 -5.595 -6.299 97 HB THR 12 HB THR 12 -11.168 -5.021 -9.208 98 HG1 THR 12 HG1 THR 12 -13.019 -6.271 -7.446 99 HG21 THR 12 1HG2 THR 12 -10.753 -7.394 -9.374 100 HG22 THR 12 2HG2 THR 12 -10.808 -7.545 -7.614 101 HG23 THR 12 3HG2 THR 12 -9.497 -6.639 -8.379 102 H LEU 13 H LEU 13 -11.006 -2.530 -7.998 103 HA LEU 13 HA LEU 13 -8.227 -2.145 -8.449 104 HB2 LEU 13 1HB LEU 13 -9.966 0.161 -7.672 105 HB3 LEU 13 2HB LEU 13 -8.731 0.088 -8.911 106 HG LEU 13 HG LEU 13 -11.533 -0.946 -9.034 107 HD11 LEU 13 1HD1 LEU 13 -10.113 1.240 -10.542 108 HD12 LEU 13 2HD1 LEU 13 -11.321 1.453 -9.276 109 HD13 LEU 13 3HD1 LEU 13 -11.774 0.716 -10.811 110 HD21 LEU 13 1HD2 LEU 13 -10.042 -2.483 -10.233 111 HD22 LEU 13 2HD2 LEU 13 -9.346 -1.130 -11.123 112 HD23 LEU 13 3HD2 LEU 13 -11.036 -1.570 -11.366 113 H TYR 14 H TYR 14 -10.282 -2.038 -5.763 114 HA TYR 14 HA TYR 14 -8.854 0.008 -4.349 115 HB2 TYR 14 1HB TYR 14 -11.430 -0.429 -4.595 116 HB3 TYR 14 2HB TYR 14 -11.150 -1.498 -3.224 117 HD1 TYR 14 HD1 TYR 14 -10.564 -0.639 -1.080 118 HD2 TYR 14 HD2 TYR 14 -11.103 1.917 -4.428 119 HE1 TYR 14 HE1 TYR 14 -10.592 1.278 0.430 120 HE2 TYR 14 HE2 TYR 14 -11.148 3.876 -2.922 121 HH TYR 14 HH TYR 14 -10.152 3.752 0.292 122 H LEU 15 H LEU 15 -9.861 -3.336 -3.758 123 HA LEU 15 HA LEU 15 -8.393 -3.624 -1.363 124 HB2 LEU 15 1HB LEU 15 -8.876 -5.933 -1.523 125 HB3 LEU 15 2HB LEU 15 -10.248 -5.123 -2.257 126 HG LEU 15 HG LEU 15 -8.567 -5.593 -4.402 127 HD11 LEU 15 1HD1 LEU 15 -8.553 -8.008 -2.599 128 HD12 LEU 15 2HD1 LEU 15 -7.151 -7.040 -3.056 129 HD13 LEU 15 3HD1 LEU 15 -8.017 -7.969 -4.279 130 HD21 LEU 15 1HD2 LEU 15 -10.877 -7.235 -3.396 131 HD22 LEU 15 2HD2 LEU 15 -10.243 -7.249 -5.042 132 HD23 LEU 15 3HD2 LEU 15 -10.980 -5.780 -4.390 133 H LYS 16 H LYS 16 -7.598 -3.611 -4.687 134 HA LYS 16 HA LYS 16 -5.027 -4.840 -4.457 135 HB2 LYS 16 1HB LYS 16 -6.277 -4.864 -6.597 136 HB3 LYS 16 2HB LYS 16 -6.208 -3.112 -6.645 137 HG2 LYS 16 1HG LYS 16 -3.690 -4.721 -6.529 138 HG3 LYS 16 2HG LYS 16 -4.534 -4.466 -8.056 139 HD2 LYS 16 1HD LYS 16 -3.843 -2.166 -6.247 140 HD3 LYS 16 2HD LYS 16 -2.661 -2.817 -7.400 141 HE2 LYS 16 1HE LYS 16 -4.443 -2.504 -9.182 142 HE3 LYS 16 2HE LYS 16 -5.343 -1.579 -7.983 143 HZ1 LYS 16 1HZ LYS 16 -3.500 -0.040 -7.827 144 HZ2 LYS 16 2HZ LYS 16 -4.015 -0.163 -9.433 145 HZ3 LYS 16 3HZ LYS 16 -2.604 -0.945 -8.937 146 H ILE 17 H ILE 17 -6.402 -1.649 -4.856 147 HA ILE 17 HA ILE 17 -4.182 -0.036 -4.982 148 HB ILE 17 HB ILE 17 -6.924 0.316 -4.882 149 HG12 ILE 17 1HG1 ILE 17 -6.224 2.815 -5.085 150 HG13 ILE 17 2HG1 ILE 17 -4.583 2.171 -5.024 151 HG21 ILE 17 1HG2 ILE 17 -7.339 2.095 -3.233 152 HG22 ILE 17 2HG2 ILE 17 -5.738 1.825 -2.544 153 HG23 ILE 17 3HG2 ILE 17 -6.959 0.556 -2.460 154 HD11 ILE 17 1HD1 ILE 17 -6.705 1.387 -7.010 155 HD12 ILE 17 2HD1 ILE 17 -5.050 0.778 -6.963 156 HD13 ILE 17 3HD1 ILE 17 -5.355 2.480 -7.324 157 H SER 18 H SER 18 -5.711 -1.461 -2.238 158 HA SER 18 HA SER 18 -4.186 0.187 -0.426 159 HB2 SER 18 1HB SER 18 -6.581 -0.436 0.042 160 HB3 SER 18 2HB SER 18 -6.055 -2.104 0.251 161 HG SER 18 HG SER 18 -5.856 -1.453 2.257 162 H PHE 19 H PHE 19 -4.294 -2.993 -1.723 163 HA PHE 19 HA PHE 19 -2.582 -4.387 -0.025 164 HB2 PHE 19 1HB PHE 19 -3.568 -5.865 -1.437 165 HB3 PHE 19 2HB PHE 19 -3.681 -4.676 -2.736 166 HD1 PHE 19 HD1 PHE 19 -1.220 -6.882 -1.001 167 HD2 PHE 19 HD2 PHE 19 -2.315 -4.815 -4.554 168 HE1 PHE 19 HE1 PHE 19 0.678 -7.903 -2.177 169 HE2 PHE 19 HE2 PHE 19 -0.431 -5.817 -5.738 170 HZ PHE 19 HZ PHE 19 1.076 -7.383 -4.558 171 H LEU 20 H LEU 20 -1.733 -2.894 -3.200 172 HA LEU 20 HA LEU 20 1.053 -3.377 -2.640 173 HB2 LEU 20 1HB LEU 20 1.583 -2.430 -4.714 174 HB3 LEU 20 2HB LEU 20 0.051 -3.233 -4.971 175 HG LEU 20 HG LEU 20 0.432 -0.262 -4.613 176 HD11 LEU 20 1HD1 LEU 20 1.293 -1.071 -6.742 177 HD12 LEU 20 2HD1 LEU 20 -0.186 -0.143 -6.978 178 HD13 LEU 20 3HD1 LEU 20 -0.227 -1.905 -7.052 179 HD21 LEU 20 1HD2 LEU 20 -1.700 -0.675 -3.810 180 HD22 LEU 20 2HD2 LEU 20 -1.971 -1.998 -4.958 181 HD23 LEU 20 3HD2 LEU 20 -1.972 -0.322 -5.520 182 H GLY 21 H GLY 21 -1.225 -0.958 -2.025 183 HA2 GLY 21 1HA GLY 21 0.505 1.206 -1.423 184 HA3 GLY 21 2HA GLY 21 -1.170 1.009 -0.921 185 H CYS 22 H CYS 22 -0.000 -1.725 0.089 186 HA CYS 22 HA CYS 22 0.440 -0.903 2.831 187 HB2 CYS 22 1HB CYS 22 0.390 -3.623 1.489 188 HB3 CYS 22 2HB CYS 22 0.701 -3.380 3.198 189 HG CYS 22 HG CYS 22 -2.222 -2.569 1.620 190 H LYS 23 H LYS 23 2.000 -2.734 0.320 191 HA LYS 23 HA LYS 23 4.543 -3.037 1.348 192 HB2 LYS 23 1HB LYS 23 3.575 -2.540 -1.428 193 HB3 LYS 23 2HB LYS 23 5.222 -3.030 -1.058 194 HG2 LYS 23 1HG LYS 23 4.407 -5.120 -0.101 195 HG3 LYS 23 2HG LYS 23 2.745 -4.626 -0.425 196 HD2 LYS 23 1HD LYS 23 3.127 -4.681 -2.791 197 HD3 LYS 23 2HD LYS 23 4.855 -4.962 -2.550 198 HE2 LYS 23 1HE LYS 23 2.630 -6.833 -1.745 199 HE3 LYS 23 2HE LYS 23 3.677 -7.027 -3.148 200 HZ1 LYS 23 1HZ LYS 23 5.575 -7.165 -1.626 201 HZ2 LYS 23 2HZ LYS 23 4.452 -8.395 -1.348 202 HZ3 LYS 23 3HZ LYS 23 4.528 -7.070 -0.303 203 H VAL 24 H VAL 24 3.040 -0.442 -0.353 204 HA VAL 24 HA VAL 24 5.431 1.134 -0.420 205 HB VAL 24 HB VAL 24 2.612 1.916 -1.061 206 HG11 VAL 24 1HG1 VAL 24 4.018 3.849 -0.582 207 HG12 VAL 24 2HG1 VAL 24 3.601 3.779 -2.295 208 HG13 VAL 24 3HG1 VAL 24 5.203 3.276 -1.755 209 HG21 VAL 24 1HG2 VAL 24 3.208 1.521 -3.373 210 HG22 VAL 24 2HG2 VAL 24 3.492 0.062 -2.413 211 HG23 VAL 24 3HG2 VAL 24 4.848 1.086 -2.888 212 H VAL 25 H VAL 25 2.724 0.668 1.611 213 HA VAL 25 HA VAL 25 2.990 3.031 3.171 214 HB VAL 25 HB VAL 25 1.629 0.450 3.527 215 HG11 VAL 25 1HG1 VAL 25 2.597 1.940 5.971 216 HG12 VAL 25 2HG1 VAL 25 3.057 0.301 5.505 217 HG13 VAL 25 3HG1 VAL 25 1.391 0.651 5.968 218 HG21 VAL 25 1HG2 VAL 25 -0.029 1.953 4.562 219 HG22 VAL 25 2HG2 VAL 25 0.471 2.456 2.946 220 HG23 VAL 25 3HG2 VAL 25 1.120 3.279 4.371 221 H ALA 26 H ALA 26 4.599 -0.039 3.062 222 HA ALA 26 HA ALA 26 6.094 0.249 5.414 223 HB1 ALA 26 1HB ALA 26 5.832 -1.902 4.292 224 HB2 ALA 26 2HB ALA 26 7.535 -1.506 4.517 225 HB3 ALA 26 3HB ALA 26 6.787 -1.313 2.933 226 H LEU 27 H LEU 27 6.554 1.519 2.154 227 HA LEU 27 HA LEU 27 9.176 2.485 2.982 228 HB2 LEU 27 1HB LEU 27 9.501 3.243 0.719 229 HB3 LEU 27 2HB LEU 27 8.987 1.570 0.752 230 HG LEU 27 HG LEU 27 6.609 2.631 0.317 231 HD11 LEU 27 1HD1 LEU 27 8.481 4.695 -0.836 232 HD12 LEU 27 2HD1 LEU 27 7.338 4.952 0.481 233 HD13 LEU 27 3HD1 LEU 27 6.747 4.587 -1.140 234 HD21 LEU 27 1HD2 LEU 27 8.749 2.314 -1.781 235 HD22 LEU 27 2HD2 LEU 27 7.013 2.336 -2.087 236 HD23 LEU 27 3HD2 LEU 27 7.724 1.037 -1.130 237 H LEU 28 H LEU 28 5.957 3.614 2.640 238 HA LEU 28 HA LEU 28 6.652 6.413 2.551 239 HB2 LEU 28 1HB LEU 28 4.788 6.002 1.298 240 HB3 LEU 28 2HB LEU 28 4.196 4.761 2.381 241 HG LEU 28 HG LEU 28 3.994 7.106 3.856 242 HD11 LEU 28 1HD1 LEU 28 2.735 8.617 2.423 243 HD12 LEU 28 2HD1 LEU 28 3.045 7.576 1.034 244 HD13 LEU 28 3HD1 LEU 28 4.380 8.412 1.824 245 HD21 LEU 28 1HD2 LEU 28 1.911 5.650 2.238 246 HD22 LEU 28 2HD2 LEU 28 1.609 6.693 3.628 247 HD23 LEU 28 3HD2 LEU 28 2.494 5.177 3.836 248 H LYS 29 H LYS 29 4.434 4.677 4.770 249 HA LYS 29 HA LYS 29 5.048 6.590 6.859 250 HB2 LYS 29 1HB LYS 29 3.150 4.248 6.743 251 HB3 LYS 29 2HB LYS 29 3.409 5.191 8.204 252 HG2 LYS 29 1HG LYS 29 2.635 7.199 7.025 253 HG3 LYS 29 2HG LYS 29 2.340 6.220 5.588 254 HD2 LYS 29 1HD LYS 29 0.728 4.868 6.838 255 HD3 LYS 29 2HD LYS 29 1.025 5.842 8.279 256 HE2 LYS 29 1HE LYS 29 -0.102 6.841 5.666 257 HE3 LYS 29 2HE LYS 29 -1.025 6.530 7.134 258 HZ1 LYS 29 1HZ LYS 29 0.324 8.234 8.251 259 HZ2 LYS 29 2HZ LYS 29 -0.555 8.859 6.949 260 HZ3 LYS 29 3HZ LYS 29 1.102 8.571 6.786 261 H ARG 30 H ARG 30 5.644 3.356 5.962 262 HA ARG 30 HA ARG 30 7.183 1.839 6.560 263 HB2 ARG 30 1HB ARG 30 8.307 4.051 8.289 264 HB3 ARG 30 2HB ARG 30 9.088 2.497 8.027 265 HG2 ARG 30 1HG ARG 30 9.195 2.986 5.615 266 HG3 ARG 30 2HG ARG 30 8.481 4.568 5.926 267 HD2 ARG 30 1HD ARG 30 11.071 3.584 7.111 268 HD3 ARG 30 2HD ARG 30 10.946 4.621 5.690 269 HE ARG 30 HE ARG 30 9.549 5.756 7.876 270 HH11 ARG 30 1HH1 ARG 30 12.771 5.203 6.653 271 HH12 ARG 30 2HH1 ARG 30 13.453 6.578 7.459 272 HH21 ARG 30 1HH2 ARG 30 10.434 7.574 8.944 273 HH22 ARG 30 2HH2 ARG 30 12.125 7.926 8.770 Start of MODEL 3 1 H1 MET 1 1H MET 1 -16.813 -16.222 -15.413 2 H2 MET 1 2H MET 1 -16.178 -14.905 -16.259 3 H3 MET 1 3H MET 1 -17.069 -16.083 -17.079 4 HA MET 1 HA MET 1 -19.047 -15.487 -15.863 5 HB2 MET 1 1HB MET 1 -17.918 -14.708 -13.821 6 HB3 MET 1 2HB MET 1 -17.280 -13.326 -14.696 7 HG2 MET 1 1HG MET 1 -19.564 -12.523 -15.071 8 HG3 MET 1 2HG MET 1 -20.183 -13.897 -14.157 9 HE1 MET 1 1HE MET 1 -20.877 -10.833 -13.529 10 HE2 MET 1 2HE MET 1 -20.790 -10.840 -11.769 11 HE3 MET 1 3HE MET 1 -21.539 -12.191 -12.619 12 H ALA 2 H ALA 2 -20.135 -14.848 -17.596 13 HA ALA 2 HA ALA 2 -19.068 -12.929 -19.456 14 HB1 ALA 2 1HB ALA 2 -20.385 -14.848 -20.228 15 HB2 ALA 2 2HB ALA 2 -21.119 -13.321 -20.716 16 HB3 ALA 2 3HB ALA 2 -21.790 -14.227 -19.361 17 H THR 3 H THR 3 -20.953 -11.310 -20.262 18 HA THR 3 HA THR 3 -21.790 -9.245 -19.890 19 HB THR 3 HB THR 3 -23.510 -9.067 -18.032 20 HG1 THR 3 HG1 THR 3 -22.314 -11.226 -17.140 21 HG21 THR 3 1HG2 THR 3 -24.110 -9.624 -20.323 22 HG22 THR 3 2HG2 THR 3 -25.109 -10.524 -19.185 23 HG23 THR 3 3HG2 THR 3 -23.775 -11.326 -20.012 24 H LYS 4 H LYS 4 -19.804 -8.261 -19.473 25 HA LYS 4 HA LYS 4 -18.698 -8.145 -16.829 26 HB2 LYS 4 1HB LYS 4 -17.981 -6.399 -19.184 27 HB3 LYS 4 2HB LYS 4 -16.988 -6.758 -17.782 28 HG2 LYS 4 1HG LYS 4 -17.821 -8.741 -19.887 29 HG3 LYS 4 2HG LYS 4 -16.244 -7.961 -19.771 30 HD2 LYS 4 1HD LYS 4 -15.944 -9.000 -17.543 31 HD3 LYS 4 2HD LYS 4 -17.479 -9.844 -17.763 32 HE2 LYS 4 1HE LYS 4 -16.578 -10.916 -19.781 33 HE3 LYS 4 2HE LYS 4 -15.040 -10.102 -19.514 34 HZ1 LYS 4 1HZ LYS 4 -14.993 -12.370 -18.700 35 HZ2 LYS 4 2HZ LYS 4 -16.304 -12.060 -17.675 36 HZ3 LYS 4 3HZ LYS 4 -14.823 -11.281 -17.416 37 H HIS 5 H HIS 5 -20.903 -7.339 -16.051 38 HA HIS 5 HA HIS 5 -20.680 -4.427 -15.770 39 HB2 HIS 5 1HB HIS 5 -22.483 -4.971 -17.431 40 HB3 HIS 5 2HB HIS 5 -23.315 -5.866 -16.166 41 HD1 HIS 5 HD1 HIS 5 -24.488 -4.492 -14.315 42 HD2 HIS 5 HD2 HIS 5 -22.645 -2.187 -17.241 43 HE1 HIS 5 HE1 HIS 5 -25.367 -2.158 -13.991 44 HE2 HIS 5 HE2 HIS 5 -24.319 -0.803 -15.838 45 H GLY 6 H GLY 6 -19.715 -4.870 -13.765 46 HA2 GLY 6 1HA GLY 6 -21.660 -5.460 -11.666 47 HA3 GLY 6 2HA GLY 6 -20.222 -6.470 -11.735 48 H LYS 7 H LYS 7 -21.189 -4.532 -9.704 49 HA LYS 7 HA LYS 7 -19.262 -2.374 -9.814 50 HB2 LYS 7 1HB LYS 7 -20.230 -1.791 -7.589 51 HB3 LYS 7 2HB LYS 7 -21.367 -1.750 -8.926 52 HG2 LYS 7 1HG LYS 7 -22.045 -4.095 -8.214 53 HG3 LYS 7 2HG LYS 7 -21.131 -3.797 -6.736 54 HD2 LYS 7 1HD LYS 7 -23.426 -2.122 -7.749 55 HD3 LYS 7 2HD LYS 7 -23.529 -3.325 -6.464 56 HE2 LYS 7 1HE LYS 7 -21.935 -2.038 -5.133 57 HE3 LYS 7 2HE LYS 7 -21.824 -0.837 -6.420 58 HZ1 LYS 7 1HZ LYS 7 -23.330 -0.097 -4.708 59 HZ2 LYS 7 2HZ LYS 7 -24.255 -1.504 -4.852 60 HZ3 LYS 7 3HZ LYS 7 -24.199 -0.398 -6.128 61 H ASN 8 H ASN 8 -17.584 -4.079 -9.913 62 HA ASN 8 HA ASN 8 -16.615 -4.722 -7.244 63 HB2 ASN 8 1HB ASN 8 -15.973 -7.042 -8.097 64 HB3 ASN 8 2HB ASN 8 -17.665 -6.760 -7.716 65 HD21 ASN 8 1HD2 ASN 8 -18.429 -8.362 -9.013 66 HD22 ASN 8 2HD2 ASN 8 -18.365 -8.307 -10.741 67 H SER 9 H SER 9 -15.862 -4.608 -10.700 68 HA SER 9 HA SER 9 -13.169 -4.830 -10.738 69 HB2 SER 9 1HB SER 9 -14.553 -4.441 -12.737 70 HB3 SER 9 2HB SER 9 -14.794 -2.767 -12.246 71 HG SER 9 HG SER 9 -12.193 -3.806 -12.573 72 H TRP 10 H TRP 10 -14.951 -1.864 -9.860 73 HA TRP 10 HA TRP 10 -12.750 -0.178 -9.512 74 HB2 TRP 10 1HB TRP 10 -14.223 1.300 -8.387 75 HB3 TRP 10 2HB TRP 10 -15.259 0.437 -9.518 76 HD1 TRP 10 HD1 TRP 10 -17.157 -1.110 -8.490 77 HE1 TRP 10 HE1 TRP 10 -18.058 -1.455 -6.108 78 HE3 TRP 10 HE3 TRP 10 -13.450 1.247 -5.891 79 HZ2 TRP 10 HZ2 TRP 10 -17.293 -0.805 -3.467 80 HZ3 TRP 10 HZ3 TRP 10 -13.611 1.341 -3.433 81 HH2 TRP 10 HH2 TRP 10 -15.489 0.324 -2.252 82 H LYS 11 H LYS 11 -14.162 -2.661 -7.624 83 HA LYS 11 HA LYS 11 -12.941 -1.908 -5.123 84 HB2 LYS 11 1HB LYS 11 -15.233 -3.121 -5.664 85 HB3 LYS 11 2HB LYS 11 -14.222 -4.557 -5.638 86 HG2 LYS 11 1HG LYS 11 -13.479 -3.215 -3.370 87 HG3 LYS 11 2HG LYS 11 -15.211 -2.931 -3.482 88 HD2 LYS 11 1HD LYS 11 -14.807 -4.932 -2.194 89 HD3 LYS 11 2HD LYS 11 -15.572 -5.357 -3.725 90 HE2 LYS 11 1HE LYS 11 -13.344 -5.926 -4.641 91 HE3 LYS 11 2HE LYS 11 -12.635 -5.559 -3.070 92 HZ1 LYS 11 1HZ LYS 11 -13.937 -7.336 -2.095 93 HZ2 LYS 11 2HZ LYS 11 -13.001 -7.937 -3.370 94 HZ3 LYS 11 3HZ LYS 11 -14.656 -7.673 -3.588 95 H THR 12 H THR 12 -12.502 -4.061 -7.770 96 HA THR 12 HA THR 12 -10.441 -5.657 -6.681 97 HB THR 12 HB THR 12 -10.588 -5.070 -9.609 98 HG1 THR 12 HG1 THR 12 -12.611 -6.162 -7.997 99 HG21 THR 12 1HG2 THR 12 -8.952 -6.652 -8.660 100 HG22 THR 12 2HG2 THR 12 -10.110 -7.433 -9.750 101 HG23 THR 12 3HG2 THR 12 -10.295 -7.593 -8.001 102 H LEU 13 H LEU 13 -10.585 -2.583 -8.357 103 HA LEU 13 HA LEU 13 -7.791 -2.123 -8.577 104 HB2 LEU 13 1HB LEU 13 -9.660 0.120 -7.908 105 HB3 LEU 13 2HB LEU 13 -8.327 0.107 -9.045 106 HG LEU 13 HG LEU 13 -11.080 -1.003 -9.407 107 HD11 LEU 13 1HD1 LEU 13 -10.900 1.408 -9.604 108 HD12 LEU 13 2HD1 LEU 13 -11.231 0.676 -11.175 109 HD13 LEU 13 3HD1 LEU 13 -9.603 1.229 -10.784 110 HD21 LEU 13 1HD2 LEU 13 -8.734 -1.100 -11.323 111 HD22 LEU 13 2HD2 LEU 13 -10.385 -1.594 -11.697 112 HD23 LEU 13 3HD2 LEU 13 -9.448 -2.486 -10.499 113 H TYR 14 H TYR 14 -10.051 -2.144 -6.063 114 HA TYR 14 HA TYR 14 -8.812 -0.069 -4.512 115 HB2 TYR 14 1HB TYR 14 -11.338 -0.536 -4.993 116 HB3 TYR 14 2HB TYR 14 -11.170 -1.651 -3.642 117 HD1 TYR 14 HD1 TYR 14 -11.013 1.808 -4.714 118 HD2 TYR 14 HD2 TYR 14 -10.864 -0.876 -1.429 119 HE1 TYR 14 HE1 TYR 14 -11.214 3.716 -3.148 120 HE2 TYR 14 HE2 TYR 14 -11.059 0.982 0.143 121 HH TYR 14 HH TYR 14 -11.960 4.120 -0.810 122 H LEU 15 H LEU 15 -9.791 -3.435 -4.049 123 HA LEU 15 HA LEU 15 -8.510 -3.772 -1.566 124 HB2 LEU 15 1HB LEU 15 -8.843 -6.115 -1.895 125 HB3 LEU 15 2HB LEU 15 -10.227 -5.298 -2.598 126 HG LEU 15 HG LEU 15 -8.542 -5.541 -4.754 127 HD11 LEU 15 1HD1 LEU 15 -6.991 -6.951 -3.535 128 HD12 LEU 15 2HD1 LEU 15 -7.812 -7.876 -4.792 129 HD13 LEU 15 3HD1 LEU 15 -8.299 -8.051 -3.106 130 HD21 LEU 15 1HD2 LEU 15 -10.732 -7.385 -3.820 131 HD22 LEU 15 2HD2 LEU 15 -10.082 -7.333 -5.458 132 HD23 LEU 15 3HD2 LEU 15 -10.912 -5.921 -4.794 133 H LYS 16 H LYS 16 -7.453 -3.657 -4.823 134 HA LYS 16 HA LYS 16 -4.855 -4.785 -4.408 135 HB2 LYS 16 1HB LYS 16 -5.903 -4.840 -6.635 136 HB3 LYS 16 2HB LYS 16 -5.971 -3.087 -6.652 137 HG2 LYS 16 1HG LYS 16 -3.339 -4.462 -6.353 138 HG3 LYS 16 2HG LYS 16 -4.090 -4.315 -7.940 139 HD2 LYS 16 1HD LYS 16 -3.726 -1.941 -6.127 140 HD3 LYS 16 2HD LYS 16 -2.444 -2.480 -7.230 141 HE2 LYS 16 1HE LYS 16 -4.234 -2.367 -9.064 142 HE3 LYS 16 2HE LYS 16 -5.187 -1.450 -7.900 143 HZ1 LYS 16 1HZ LYS 16 -2.500 -0.718 -8.926 144 HZ2 LYS 16 2HZ LYS 16 -3.361 0.155 -7.762 145 HZ3 LYS 16 3HZ LYS 16 -3.963 0.024 -9.336 146 H ILE 17 H ILE 17 -6.327 -1.637 -4.811 147 HA ILE 17 HA ILE 17 -4.149 0.042 -4.799 148 HB ILE 17 HB ILE 17 -6.893 0.326 -4.854 149 HG12 ILE 17 1HG1 ILE 17 -6.285 2.820 -5.012 150 HG13 ILE 17 2HG1 ILE 17 -4.625 2.284 -4.749 151 HG21 ILE 17 1HG2 ILE 17 -7.054 0.493 -2.415 152 HG22 ILE 17 2HG2 ILE 17 -7.482 2.019 -3.189 153 HG23 ILE 17 3HG2 ILE 17 -5.904 1.832 -2.423 154 HD11 ILE 17 1HD1 ILE 17 -6.432 1.344 -6.966 155 HD12 ILE 17 2HD1 ILE 17 -4.746 0.884 -6.722 156 HD13 ILE 17 3HD1 ILE 17 -5.155 2.552 -7.128 157 H SER 18 H SER 18 -5.773 -1.496 -2.182 158 HA SER 18 HA SER 18 -4.432 0.152 -0.230 159 HB2 SER 18 1HB SER 18 -6.219 -2.251 0.252 160 HB3 SER 18 2HB SER 18 -5.790 -0.999 1.413 161 HG SER 18 HG SER 18 -7.382 -0.712 -0.923 162 H PHE 19 H PHE 19 -4.377 -3.020 -1.573 163 HA PHE 19 HA PHE 19 -2.651 -4.385 0.117 164 HB2 PHE 19 1HB PHE 19 -3.510 -5.857 -1.378 165 HB3 PHE 19 2HB PHE 19 -3.667 -4.619 -2.623 166 HD1 PHE 19 HD1 PHE 19 -2.348 -4.713 -4.465 167 HD2 PHE 19 HD2 PHE 19 -1.038 -6.673 -0.925 168 HE1 PHE 19 HE1 PHE 19 -0.400 -5.558 -5.671 169 HE2 PHE 19 HE2 PHE 19 0.915 -7.543 -2.124 170 HZ PHE 19 HZ PHE 19 1.242 -6.997 -4.507 171 H LEU 20 H LEU 20 -1.739 -2.805 -2.999 172 HA LEU 20 HA LEU 20 1.030 -3.195 -2.355 173 HB2 LEU 20 1HB LEU 20 1.581 -2.280 -4.408 174 HB3 LEU 20 2HB LEU 20 0.011 -2.988 -4.714 175 HG LEU 20 HG LEU 20 0.468 -0.059 -4.165 176 HD11 LEU 20 1HD1 LEU 20 0.104 0.258 -6.558 177 HD12 LEU 20 2HD1 LEU 20 0.034 -1.489 -6.782 178 HD13 LEU 20 3HD1 LEU 20 1.534 -0.727 -6.255 179 HD21 LEU 20 1HD2 LEU 20 -1.734 -0.498 -3.603 180 HD22 LEU 20 2HD2 LEU 20 -1.909 -1.719 -4.875 181 HD23 LEU 20 3HD2 LEU 20 -1.838 -0.003 -5.298 182 H GLY 21 H GLY 21 -1.340 -0.832 -1.790 183 HA2 GLY 21 1HA GLY 21 0.300 1.380 -1.167 184 HA3 GLY 21 2HA GLY 21 -1.352 1.103 -0.634 185 H CYS 22 H CYS 22 -0.117 -1.569 0.340 186 HA CYS 22 HA CYS 22 0.486 -0.757 3.057 187 HB2 CYS 22 1HB CYS 22 0.294 -3.458 1.700 188 HB3 CYS 22 2HB CYS 22 0.705 -3.237 3.391 189 HG CYS 22 HG CYS 22 -2.249 -2.115 2.093 190 H LYS 23 H LYS 23 1.853 -2.588 0.445 191 HA LYS 23 HA LYS 23 4.450 -2.967 1.289 192 HB2 LYS 23 1HB LYS 23 3.338 -2.387 -1.424 193 HB3 LYS 23 2HB LYS 23 4.946 -3.032 -1.135 194 HG2 LYS 23 1HG LYS 23 3.961 -5.038 -0.127 195 HG3 LYS 23 2HG LYS 23 2.350 -4.385 -0.414 196 HD2 LYS 23 1HD LYS 23 2.927 -6.012 -2.124 197 HD3 LYS 23 2HD LYS 23 2.789 -4.400 -2.829 198 HE2 LYS 23 1HE LYS 23 4.728 -5.645 -3.687 199 HE3 LYS 23 2HE LYS 23 5.189 -4.162 -2.855 200 HZ1 LYS 23 1HZ LYS 23 5.261 -6.873 -1.639 201 HZ2 LYS 23 2HZ LYS 23 5.804 -5.438 -0.925 202 HZ3 LYS 23 3HZ LYS 23 6.602 -6.065 -2.278 203 H VAL 24 H VAL 24 2.901 -0.344 -0.306 204 HA VAL 24 HA VAL 24 5.305 1.200 -0.527 205 HB VAL 24 HB VAL 24 2.462 2.009 -0.998 206 HG11 VAL 24 1HG1 VAL 24 3.864 3.940 -0.605 207 HG12 VAL 24 2HG1 VAL 24 3.413 3.854 -2.308 208 HG13 VAL 24 3HG1 VAL 24 5.024 3.358 -1.794 209 HG21 VAL 24 1HG2 VAL 24 2.894 1.604 -3.334 210 HG22 VAL 24 2HG2 VAL 24 3.275 0.148 -2.406 211 HG23 VAL 24 3HG2 VAL 24 4.573 1.199 -2.977 212 H VAL 25 H VAL 25 2.685 0.803 1.646 213 HA VAL 25 HA VAL 25 3.129 3.114 3.228 214 HB VAL 25 HB VAL 25 1.725 0.564 3.625 215 HG11 VAL 25 1HG1 VAL 25 2.898 1.966 6.031 216 HG12 VAL 25 2HG1 VAL 25 3.288 0.333 5.490 217 HG13 VAL 25 3HG1 VAL 25 1.666 0.703 6.076 218 HG21 VAL 25 1HG2 VAL 25 0.191 2.087 4.821 219 HG22 VAL 25 2HG2 VAL 25 0.572 2.600 3.179 220 HG23 VAL 25 3HG2 VAL 25 1.353 3.387 4.557 221 H ALA 26 H ALA 26 4.622 -0.024 3.005 222 HA ALA 26 HA ALA 26 6.289 0.199 5.239 223 HB1 ALA 26 1HB ALA 26 7.601 -1.595 4.246 224 HB2 ALA 26 2HB ALA 26 6.782 -1.349 2.704 225 HB3 ALA 26 3HB ALA 26 5.874 -1.924 4.102 226 H LEU 27 H LEU 27 6.578 1.502 1.976 227 HA LEU 27 HA LEU 27 9.284 2.364 2.632 228 HB2 LEU 27 1HB LEU 27 9.464 3.178 0.376 229 HB3 LEU 27 2HB LEU 27 8.872 1.532 0.394 230 HG LEU 27 HG LEU 27 6.524 2.691 0.165 231 HD11 LEU 27 1HD1 LEU 27 6.624 4.718 -1.197 232 HD12 LEU 27 2HD1 LEU 27 8.375 4.764 -0.996 233 HD13 LEU 27 3HD1 LEU 27 7.323 4.977 0.402 234 HD21 LEU 27 1HD2 LEU 27 6.749 2.518 -2.271 235 HD22 LEU 27 2HD2 LEU 27 7.492 1.151 -1.442 236 HD23 LEU 27 3HD2 LEU 27 8.501 2.440 -2.095 237 H LEU 28 H LEU 28 6.084 3.611 2.567 238 HA LEU 28 HA LEU 28 6.879 6.388 2.555 239 HB2 LEU 28 1HB LEU 28 4.932 6.089 1.397 240 HB3 LEU 28 2HB LEU 28 4.360 4.827 2.464 241 HG LEU 28 HG LEU 28 4.318 7.109 4.041 242 HD11 LEU 28 1HD1 LEU 28 3.028 8.717 2.733 243 HD12 LEU 28 2HD1 LEU 28 3.270 7.739 1.286 244 HD13 LEU 28 3HD1 LEU 28 4.649 8.506 2.073 245 HD21 LEU 28 1HD2 LEU 28 2.108 5.791 2.473 246 HD22 LEU 28 2HD2 LEU 28 1.905 6.802 3.905 247 HD23 LEU 28 3HD2 LEU 28 2.740 5.249 4.028 248 H LYS 29 H LYS 29 4.728 4.642 4.825 249 HA LYS 29 HA LYS 29 5.560 6.415 6.969 250 HB2 LYS 29 1HB LYS 29 3.488 4.225 6.828 251 HB3 LYS 29 2HB LYS 29 3.856 5.106 8.305 252 HG2 LYS 29 1HG LYS 29 3.140 7.171 7.327 253 HG3 LYS 29 2HG LYS 29 2.938 6.405 5.753 254 HD2 LYS 29 1HD LYS 29 1.172 4.975 6.703 255 HD3 LYS 29 2HD LYS 29 1.357 5.804 8.251 256 HE2 LYS 29 1HE LYS 29 0.718 7.914 7.220 257 HE3 LYS 29 2HE LYS 29 0.593 7.127 5.648 258 HZ1 LYS 29 1HZ LYS 29 -1.573 7.395 6.642 259 HZ2 LYS 29 2HZ LYS 29 -1.090 6.551 8.024 260 HZ3 LYS 29 3HZ LYS 29 -1.195 5.750 6.539 261 H ARG 30 H ARG 30 5.968 3.231 5.846 262 HA ARG 30 HA ARG 30 7.540 1.672 6.229 263 HB2 ARG 30 1HB ARG 30 8.658 3.665 8.202 264 HB3 ARG 30 2HB ARG 30 9.428 2.135 7.807 265 HG2 ARG 30 1HG ARG 30 9.690 2.827 5.499 266 HG3 ARG 30 2HG ARG 30 8.838 4.335 5.836 267 HD2 ARG 30 1HD ARG 30 10.585 5.045 7.328 268 HD3 ARG 30 2HD ARG 30 11.401 3.491 7.174 269 HE ARG 30 HE ARG 30 11.230 4.471 4.616 270 HH11 ARG 30 1HH1 ARG 30 12.577 5.617 7.633 271 HH12 ARG 30 2HH1 ARG 30 13.895 6.454 6.879 272 HH21 ARG 30 1HH2 ARG 30 12.954 5.585 3.608 273 HH22 ARG 30 2HH2 ARG 30 14.104 6.444 4.583 Start of MODEL 4 1 H1 MET 1 1H MET 1 -13.623 -17.250 -10.100 2 H2 MET 1 2H MET 1 -14.696 -16.342 -11.037 3 H3 MET 1 3H MET 1 -14.818 -18.025 -11.006 4 HA MET 1 HA MET 1 -15.444 -18.004 -8.708 5 HB2 MET 1 1HB MET 1 -15.117 -15.017 -8.998 6 HB3 MET 1 2HB MET 1 -15.961 -15.773 -7.655 7 HG2 MET 1 1HG MET 1 -13.897 -16.972 -7.064 8 HG3 MET 1 2HG MET 1 -13.062 -16.141 -8.374 9 HE1 MET 1 1HE MET 1 -11.234 -15.385 -6.581 10 HE2 MET 1 2HE MET 1 -12.135 -16.157 -5.277 11 HE3 MET 1 3HE MET 1 -11.615 -14.480 -5.116 12 H ALA 2 H ALA 2 -16.479 -17.588 -11.578 13 HA ALA 2 HA ALA 2 -18.474 -17.598 -12.629 14 HB1 ALA 2 1HB ALA 2 -19.025 -19.281 -10.946 15 HB2 ALA 2 2HB ALA 2 -20.436 -18.322 -11.388 16 HB3 ALA 2 3HB ALA 2 -19.603 -18.014 -9.865 17 H THR 3 H THR 3 -17.393 -15.035 -11.505 18 HA THR 3 HA THR 3 -19.743 -13.464 -10.927 19 HB THR 3 HB THR 3 -16.977 -12.439 -11.588 20 HG1 THR 3 HG1 THR 3 -18.032 -13.624 -9.262 21 HG21 THR 3 1HG2 THR 3 -18.779 -10.765 -11.567 22 HG22 THR 3 2HG2 THR 3 -17.656 -10.525 -10.228 23 HG23 THR 3 3HG2 THR 3 -19.226 -11.275 -9.939 24 H LYS 4 H LYS 4 -21.074 -12.745 -12.436 25 HA LYS 4 HA LYS 4 -20.213 -12.855 -15.227 26 HB2 LYS 4 1HB LYS 4 -22.976 -12.635 -14.030 27 HB3 LYS 4 2HB LYS 4 -22.616 -12.815 -15.742 28 HG2 LYS 4 1HG LYS 4 -21.711 -14.999 -15.390 29 HG3 LYS 4 2HG LYS 4 -21.834 -14.814 -13.638 30 HD2 LYS 4 1HD LYS 4 -24.257 -14.669 -13.825 31 HD3 LYS 4 2HD LYS 4 -24.136 -14.848 -15.575 32 HE2 LYS 4 1HE LYS 4 -24.730 -16.959 -14.439 33 HE3 LYS 4 2HE LYS 4 -23.210 -17.066 -15.326 34 HZ1 LYS 4 1HZ LYS 4 -23.449 -16.625 -12.398 35 HZ2 LYS 4 2HZ LYS 4 -22.008 -16.803 -13.265 36 HZ3 LYS 4 3HZ LYS 4 -23.081 -18.100 -13.135 37 H HIS 5 H HIS 5 -19.024 -10.929 -15.145 38 HA HIS 5 HA HIS 5 -18.646 -8.701 -15.440 39 HB2 HIS 5 1HB HIS 5 -21.411 -8.959 -16.621 40 HB3 HIS 5 2HB HIS 5 -20.491 -7.460 -16.683 41 HD1 HIS 5 HD1 HIS 5 -19.153 -7.178 -18.735 42 HD2 HIS 5 HD2 HIS 5 -19.837 -11.185 -17.879 43 HE1 HIS 5 HE1 HIS 5 -18.148 -8.458 -20.647 44 HE2 HIS 5 HE2 HIS 5 -18.420 -10.877 -20.019 45 H GLY 6 H GLY 6 -18.950 -8.956 -12.919 46 HA2 GLY 6 1HA GLY 6 -21.224 -7.411 -11.947 47 HA3 GLY 6 2HA GLY 6 -20.043 -8.256 -10.960 48 H LYS 7 H LYS 7 -21.033 -5.484 -10.762 49 HA LYS 7 HA LYS 7 -18.817 -3.820 -11.524 50 HB2 LYS 7 1HB LYS 7 -19.915 -2.161 -10.012 51 HB3 LYS 7 2HB LYS 7 -20.850 -2.652 -11.418 52 HG2 LYS 7 1HG LYS 7 -22.155 -4.163 -9.981 53 HG3 LYS 7 2HG LYS 7 -21.217 -3.626 -8.587 54 HD2 LYS 7 1HD LYS 7 -21.999 -1.316 -8.998 55 HD3 LYS 7 2HD LYS 7 -23.002 -1.920 -10.317 56 HE2 LYS 7 1HE LYS 7 -24.333 -1.638 -8.312 57 HE3 LYS 7 2HE LYS 7 -24.209 -3.347 -8.723 58 HZ1 LYS 7 1HZ LYS 7 -23.905 -2.985 -6.358 59 HZ2 LYS 7 2HZ LYS 7 -22.608 -1.944 -6.654 60 HZ3 LYS 7 3HZ LYS 7 -22.482 -3.583 -7.047 61 H ASN 8 H ASN 8 -17.437 -5.476 -10.432 62 HA ASN 8 HA ASN 8 -16.998 -4.725 -7.625 63 HB2 ASN 8 1HB ASN 8 -16.805 -7.404 -8.963 64 HB3 ASN 8 2HB ASN 8 -16.013 -7.077 -7.428 65 HD21 ASN 8 1HD2 ASN 8 -17.208 -8.532 -6.275 66 HD22 ASN 8 2HD2 ASN 8 -18.893 -8.323 -5.938 67 H SER 9 H SER 9 -15.686 -5.090 -10.762 68 HA SER 9 HA SER 9 -13.005 -5.454 -10.343 69 HB2 SER 9 1HB SER 9 -14.294 -3.672 -12.418 70 HB3 SER 9 2HB SER 9 -12.672 -4.360 -12.500 71 HG SER 9 HG SER 9 -14.807 -5.456 -13.432 72 H TRP 10 H TRP 10 -14.849 -2.433 -10.009 73 HA TRP 10 HA TRP 10 -12.689 -0.665 -9.758 74 HB2 TRP 10 1HB TRP 10 -14.228 0.903 -8.882 75 HB3 TRP 10 2HB TRP 10 -15.203 -0.099 -9.950 76 HD1 TRP 10 HD1 TRP 10 -17.149 -1.506 -8.847 77 HE1 TRP 10 HE1 TRP 10 -18.166 -1.588 -6.492 78 HE3 TRP 10 HE3 TRP 10 -13.541 1.102 -6.334 79 HZ2 TRP 10 HZ2 TRP 10 -17.528 -0.665 -3.904 80 HZ3 TRP 10 HZ3 TRP 10 -13.826 1.456 -3.911 81 HH2 TRP 10 HH2 TRP 10 -15.771 0.580 -2.723 82 H LYS 11 H LYS 11 -14.214 -2.909 -7.655 83 HA LYS 11 HA LYS 11 -13.064 -1.914 -5.213 84 HB2 LYS 11 1HB LYS 11 -15.327 -3.217 -5.704 85 HB3 LYS 11 2HB LYS 11 -14.296 -4.621 -5.479 86 HG2 LYS 11 1HG LYS 11 -13.688 -2.948 -3.362 87 HG3 LYS 11 2HG LYS 11 -15.430 -2.832 -3.566 88 HD2 LYS 11 1HD LYS 11 -14.867 -4.620 -2.007 89 HD3 LYS 11 2HD LYS 11 -15.616 -5.270 -3.467 90 HE2 LYS 11 1HE LYS 11 -13.366 -5.807 -4.341 91 HE3 LYS 11 2HE LYS 11 -12.668 -5.218 -2.835 92 HZ1 LYS 11 1HZ LYS 11 -14.571 -7.485 -3.056 93 HZ2 LYS 11 2HZ LYS 11 -13.828 -6.946 -1.638 94 HZ3 LYS 11 3HZ LYS 11 -12.900 -7.636 -2.869 95 H THR 12 H THR 12 -12.502 -4.254 -7.638 96 HA THR 12 HA THR 12 -10.484 -5.755 -6.341 97 HB THR 12 HB THR 12 -10.549 -5.405 -9.313 98 HG1 THR 12 HG1 THR 12 -12.626 -6.261 -7.674 99 HG21 THR 12 1HG2 THR 12 -10.103 -7.793 -9.247 100 HG22 THR 12 2HG2 THR 12 -10.282 -7.787 -7.491 101 HG23 THR 12 3HG2 THR 12 -8.939 -6.921 -8.243 102 H LEU 13 H LEU 13 -10.544 -2.882 -8.386 103 HA LEU 13 HA LEU 13 -7.765 -2.399 -8.514 104 HB2 LEU 13 1HB LEU 13 -9.687 -0.136 -8.112 105 HB3 LEU 13 2HB LEU 13 -8.290 -0.209 -9.167 106 HG LEU 13 HG LEU 13 -11.013 -1.354 -9.589 107 HD11 LEU 13 1HD1 LEU 13 -10.984 0.109 -11.563 108 HD12 LEU 13 2HD1 LEU 13 -9.399 0.706 -11.078 109 HD13 LEU 13 3HD1 LEU 13 -10.803 1.002 -10.054 110 HD21 LEU 13 1HD2 LEU 13 -8.543 -1.722 -11.303 111 HD22 LEU 13 2HD2 LEU 13 -10.180 -2.183 -11.767 112 HD23 LEU 13 3HD2 LEU 13 -9.391 -2.987 -10.412 113 H TYR 14 H TYR 14 -10.084 -2.226 -6.069 114 HA TYR 14 HA TYR 14 -8.905 -0.015 -4.672 115 HB2 TYR 14 1HB TYR 14 -11.410 -0.561 -5.156 116 HB3 TYR 14 2HB TYR 14 -11.257 -1.550 -3.708 117 HD1 TYR 14 HD1 TYR 14 -10.874 -0.556 -1.573 118 HD2 TYR 14 HD2 TYR 14 -11.246 1.777 -5.099 119 HE1 TYR 14 HE1 TYR 14 -11.116 1.431 -0.183 120 HE2 TYR 14 HE2 TYR 14 -11.511 3.815 -3.722 121 HH TYR 14 HH TYR 14 -10.817 3.893 -0.394 122 H LEU 15 H LEU 15 -9.808 -3.364 -4.021 123 HA LEU 15 HA LEU 15 -8.564 -3.472 -1.487 124 HB2 LEU 15 1HB LEU 15 -8.874 -5.847 -1.639 125 HB3 LEU 15 2HB LEU 15 -10.273 -5.076 -2.365 126 HG LEU 15 HG LEU 15 -8.660 -5.451 -4.541 127 HD11 LEU 15 1HD1 LEU 15 -8.336 -7.873 -2.780 128 HD12 LEU 15 2HD1 LEU 15 -7.053 -6.751 -3.234 129 HD13 LEU 15 3HD1 LEU 15 -7.844 -7.734 -4.467 130 HD21 LEU 15 1HD2 LEU 15 -10.181 -7.318 -5.061 131 HD22 LEU 15 2HD2 LEU 15 -11.011 -5.874 -4.476 132 HD23 LEU 15 3HD2 LEU 15 -10.775 -7.256 -3.402 133 H LYS 16 H LYS 16 -7.493 -3.598 -4.738 134 HA LYS 16 HA LYS 16 -4.888 -4.687 -4.223 135 HB2 LYS 16 1HB LYS 16 -5.869 -4.976 -6.434 136 HB3 LYS 16 2HB LYS 16 -6.087 -3.245 -6.601 137 HG2 LYS 16 1HG LYS 16 -3.353 -4.426 -6.282 138 HG3 LYS 16 2HG LYS 16 -4.152 -4.368 -7.854 139 HD2 LYS 16 1HD LYS 16 -3.791 -1.941 -6.097 140 HD3 LYS 16 2HD LYS 16 -2.603 -2.433 -7.318 141 HE2 LYS 16 1HE LYS 16 -5.503 -1.764 -7.838 142 HE3 LYS 16 2HE LYS 16 -4.132 -0.709 -8.168 143 HZ1 LYS 16 1HZ LYS 16 -3.304 -2.364 -9.736 144 HZ2 LYS 16 2HZ LYS 16 -4.851 -1.836 -10.162 145 HZ3 LYS 16 3HZ LYS 16 -4.647 -3.345 -9.433 146 H ILE 17 H ILE 17 -6.402 -1.592 -4.791 147 HA ILE 17 HA ILE 17 -4.249 0.110 -4.930 148 HB ILE 17 HB ILE 17 -6.987 0.377 -4.949 149 HG12 ILE 17 1HG1 ILE 17 -6.423 2.870 -5.184 150 HG13 ILE 17 2HG1 ILE 17 -4.752 2.379 -4.899 151 HG21 ILE 17 1HG2 ILE 17 -7.633 2.036 -3.310 152 HG22 ILE 17 2HG2 ILE 17 -6.021 2.007 -2.591 153 HG23 ILE 17 3HG2 ILE 17 -7.061 0.587 -2.480 154 HD11 ILE 17 1HD1 ILE 17 -4.823 0.928 -6.832 155 HD12 ILE 17 2HD1 ILE 17 -5.283 2.569 -7.290 156 HD13 ILE 17 3HD1 ILE 17 -6.522 1.323 -7.093 157 H SER 18 H SER 18 -5.808 -1.262 -2.176 158 HA SER 18 HA SER 18 -4.318 0.415 -0.359 159 HB2 SER 18 1HB SER 18 -6.257 -1.846 0.219 160 HB3 SER 18 2HB SER 18 -5.608 -0.712 1.399 161 HG SER 18 HG SER 18 -7.435 -0.242 -0.694 162 H PHE 19 H PHE 19 -4.382 -2.783 -1.627 163 HA PHE 19 HA PHE 19 -2.697 -4.157 0.111 164 HB2 PHE 19 1HB PHE 19 -3.609 -5.664 -1.309 165 HB3 PHE 19 2HB PHE 19 -3.761 -4.472 -2.597 166 HD1 PHE 19 HD1 PHE 19 -2.406 -4.546 -4.424 167 HD2 PHE 19 HD2 PHE 19 -1.241 -6.646 -0.914 168 HE1 PHE 19 HE1 PHE 19 -0.508 -5.487 -5.640 169 HE2 PHE 19 HE2 PHE 19 0.667 -7.613 -2.125 170 HZ PHE 19 HZ PHE 19 1.041 -7.041 -4.497 171 H LEU 20 H LEU 20 -1.784 -2.649 -3.040 172 HA LEU 20 HA LEU 20 0.989 -3.122 -2.447 173 HB2 LEU 20 1HB LEU 20 1.526 -2.219 -4.517 174 HB3 LEU 20 2HB LEU 20 -0.057 -2.909 -4.793 175 HG LEU 20 HG LEU 20 0.437 0.015 -4.260 176 HD11 LEU 20 1HD1 LEU 20 0.061 0.340 -6.650 177 HD12 LEU 20 2HD1 LEU 20 -0.038 -1.407 -6.875 178 HD13 LEU 20 3HD1 LEU 20 1.479 -0.669 -6.360 179 HD21 LEU 20 1HD2 LEU 20 -1.877 0.082 -5.393 180 HD22 LEU 20 2HD2 LEU 20 -1.761 -0.365 -3.687 181 HD23 LEU 20 3HD2 LEU 20 -1.965 -1.622 -4.923 182 H GLY 21 H GLY 21 -1.320 -0.702 -1.888 183 HA2 GLY 21 1HA GLY 21 0.366 1.468 -1.248 184 HA3 GLY 21 2HA GLY 21 -1.294 1.222 -0.716 185 H CYS 22 H CYS 22 -0.103 -1.487 0.230 186 HA CYS 22 HA CYS 22 0.535 -0.712 2.945 187 HB2 CYS 22 1HB CYS 22 0.309 -3.418 1.611 188 HB3 CYS 22 2HB CYS 22 0.667 -3.165 3.311 189 HG CYS 22 HG CYS 22 -2.227 -2.064 1.871 190 H LYS 23 H LYS 23 1.879 -2.548 0.287 191 HA LYS 23 HA LYS 23 4.466 -2.951 1.151 192 HB2 LYS 23 1HB LYS 23 3.346 -2.349 -1.548 193 HB3 LYS 23 2HB LYS 23 5.020 -2.829 -1.303 194 HG2 LYS 23 1HG LYS 23 4.234 -4.953 -0.317 195 HG3 LYS 23 2HG LYS 23 2.575 -4.474 -0.678 196 HD2 LYS 23 1HD LYS 23 2.994 -4.500 -3.024 197 HD3 LYS 23 2HD LYS 23 4.730 -4.686 -2.768 198 HE2 LYS 23 1HE LYS 23 2.630 -6.707 -1.992 199 HE3 LYS 23 2HE LYS 23 3.631 -6.789 -3.440 200 HZ1 LYS 23 1HZ LYS 23 5.592 -6.901 -2.028 201 HZ2 LYS 23 2HZ LYS 23 4.527 -8.164 -1.678 202 HZ3 LYS 23 3HZ LYS 23 4.626 -6.833 -0.642 203 H VAL 24 H VAL 24 2.927 -0.268 -0.343 204 HA VAL 24 HA VAL 24 5.346 1.268 -0.506 205 HB VAL 24 HB VAL 24 2.512 2.102 -0.996 206 HG11 VAL 24 1HG1 VAL 24 3.953 4.004 -0.541 207 HG12 VAL 24 2HG1 VAL 24 3.481 3.973 -2.239 208 HG13 VAL 24 3HG1 VAL 24 5.091 3.440 -1.762 209 HG21 VAL 24 1HG2 VAL 24 4.645 1.282 -2.952 210 HG22 VAL 24 2HG2 VAL 24 2.994 1.765 -3.348 211 HG23 VAL 24 3HG2 VAL 24 3.289 0.275 -2.445 212 H VAL 25 H VAL 25 2.744 0.758 1.631 213 HA VAL 25 HA VAL 25 3.100 3.055 3.269 214 HB VAL 25 HB VAL 25 1.693 0.517 3.525 215 HG11 VAL 25 1HG1 VAL 25 3.225 0.092 5.366 216 HG12 VAL 25 2HG1 VAL 25 1.619 0.474 5.986 217 HG13 VAL 25 3HG1 VAL 25 2.893 1.691 6.030 218 HG21 VAL 25 1HG2 VAL 25 0.592 2.618 3.228 219 HG22 VAL 25 2HG2 VAL 25 1.347 3.251 4.698 220 HG23 VAL 25 3HG2 VAL 25 0.156 1.950 4.802 221 H ALA 26 H ALA 26 4.659 -0.021 2.959 222 HA ALA 26 HA ALA 26 6.305 0.133 5.220 223 HB1 ALA 26 1HB ALA 26 6.843 -1.271 2.610 224 HB2 ALA 26 2HB ALA 26 5.959 -1.944 3.979 225 HB3 ALA 26 3HB ALA 26 7.674 -1.567 4.137 226 H LEU 27 H LEU 27 6.603 1.545 1.987 227 HA LEU 27 HA LEU 27 9.267 2.478 2.717 228 HB2 LEU 27 1HB LEU 27 9.491 3.302 0.477 229 HB3 LEU 27 2HB LEU 27 8.929 1.646 0.461 230 HG LEU 27 HG LEU 27 6.566 2.793 0.196 231 HD11 LEU 27 1HD1 LEU 27 7.366 5.082 0.423 232 HD12 LEU 27 2HD1 LEU 27 6.693 4.806 -1.184 233 HD13 LEU 27 3HD1 LEU 27 8.441 4.853 -0.957 234 HD21 LEU 27 1HD2 LEU 27 6.849 2.605 -2.243 235 HD22 LEU 27 2HD2 LEU 27 7.539 1.234 -1.377 236 HD23 LEU 27 3HD2 LEU 27 8.592 2.497 -2.013 237 H LEU 28 H LEU 28 6.035 3.639 2.574 238 HA LEU 28 HA LEU 28 6.762 6.432 2.635 239 HB2 LEU 28 1HB LEU 28 4.849 6.168 1.432 240 HB3 LEU 28 2HB LEU 28 4.285 4.832 2.412 241 HG LEU 28 HG LEU 28 4.170 7.051 4.098 242 HD11 LEU 28 1HD1 LEU 28 4.428 8.523 2.176 243 HD12 LEU 28 2HD1 LEU 28 2.800 8.637 2.843 244 HD13 LEU 28 3HD1 LEU 28 3.084 7.717 1.365 245 HD21 LEU 28 1HD2 LEU 28 1.793 6.622 4.000 246 HD22 LEU 28 2HD2 LEU 28 2.688 5.096 3.988 247 HD23 LEU 28 3HD2 LEU 28 1.993 5.729 2.492 248 H LYS 29 H LYS 29 4.653 4.527 4.827 249 HA LYS 29 HA LYS 29 5.230 6.363 6.989 250 HB2 LYS 29 1HB LYS 29 3.551 3.854 6.870 251 HB3 LYS 29 2HB LYS 29 3.751 4.819 8.323 252 HG2 LYS 29 1HG LYS 29 2.594 5.853 5.750 253 HG3 LYS 29 2HG LYS 29 1.640 5.243 7.099 254 HD2 LYS 29 1HD LYS 29 2.614 6.978 8.544 255 HD3 LYS 29 2HD LYS 29 3.525 7.597 7.165 256 HE2 LYS 29 1HE LYS 29 1.425 8.054 5.992 257 HE3 LYS 29 2HE LYS 29 0.521 7.445 7.376 258 HZ1 LYS 29 1HZ LYS 29 1.461 9.214 8.724 259 HZ2 LYS 29 2HZ LYS 29 0.639 9.852 7.392 260 HZ3 LYS 29 3HZ LYS 29 2.329 9.798 7.396 261 H ARG 30 H ARG 30 5.943 3.182 5.963 262 HA ARG 30 HA ARG 30 7.571 1.720 6.422 263 HB2 ARG 30 1HB ARG 30 8.769 3.977 8.035 264 HB3 ARG 30 2HB ARG 30 9.577 2.449 7.719 265 HG2 ARG 30 1HG ARG 30 9.519 2.908 5.323 266 HG3 ARG 30 2HG ARG 30 8.695 4.436 5.634 267 HD2 ARG 30 1HD ARG 30 11.430 3.698 6.666 268 HD3 ARG 30 2HD ARG 30 11.120 4.701 5.249 269 HE ARG 30 HE ARG 30 9.749 5.807 7.422 270 HH11 ARG 30 1HH1 ARG 30 13.035 5.279 6.355 271 HH12 ARG 30 2HH1 ARG 30 13.662 6.666 7.181 272 HH21 ARG 30 1HH2 ARG 30 10.560 7.631 8.506 273 HH22 ARG 30 2HH2 ARG 30 12.249 8.012 8.408 Start of MODEL 5 1 H1 MET 1 1H MET 1 -24.197 -11.766 -21.011 2 H2 MET 1 2H MET 1 -23.255 -11.243 -22.315 3 H3 MET 1 3H MET 1 -22.984 -10.612 -20.768 4 HA MET 1 HA MET 1 -22.276 -12.763 -19.973 5 HB2 MET 1 1HB MET 1 -22.669 -13.597 -22.856 6 HB3 MET 1 2HB MET 1 -21.873 -14.568 -21.626 7 HG2 MET 1 1HG MET 1 -23.960 -14.619 -20.337 8 HG3 MET 1 2HG MET 1 -24.750 -13.690 -21.609 9 HE1 MET 1 1HE MET 1 -22.108 -16.628 -21.924 10 HE2 MET 1 2HE MET 1 -23.195 -18.009 -22.077 11 HE3 MET 1 3HE MET 1 -23.145 -17.087 -20.574 12 H ALA 2 H ALA 2 -20.090 -13.021 -19.829 13 HA ALA 2 HA ALA 2 -17.909 -12.420 -19.975 14 HB1 ALA 2 1HB ALA 2 -17.983 -13.651 -22.086 15 HB2 ALA 2 2HB ALA 2 -16.885 -12.275 -22.187 16 HB3 ALA 2 3HB ALA 2 -18.483 -12.184 -22.929 17 H THR 3 H THR 3 -19.982 -10.431 -19.554 18 HA THR 3 HA THR 3 -19.126 -8.040 -20.939 19 HB THR 3 HB THR 3 -21.135 -8.245 -18.691 20 HG1 THR 3 HG1 THR 3 -21.518 -8.624 -21.498 21 HG21 THR 3 1HG2 THR 3 -22.116 -6.272 -19.745 22 HG22 THR 3 2HG2 THR 3 -20.885 -6.317 -21.007 23 HG23 THR 3 3HG2 THR 3 -20.424 -5.976 -19.340 24 H LYS 4 H LYS 4 -17.941 -6.391 -20.072 25 HA LYS 4 HA LYS 4 -16.701 -6.863 -17.475 26 HB2 LYS 4 1HB LYS 4 -16.167 -4.753 -19.573 27 HB3 LYS 4 2HB LYS 4 -15.264 -4.925 -18.075 28 HG2 LYS 4 1HG LYS 4 -15.436 -6.997 -20.252 29 HG3 LYS 4 2HG LYS 4 -14.085 -5.894 -19.991 30 HD2 LYS 4 1HD LYS 4 -13.749 -6.869 -17.758 31 HD3 LYS 4 2HD LYS 4 -15.073 -7.994 -18.064 32 HE2 LYS 4 1HE LYS 4 -12.497 -7.804 -19.619 33 HE3 LYS 4 2HE LYS 4 -12.916 -9.058 -18.452 34 HZ1 LYS 4 1HZ LYS 4 -13.269 -9.815 -20.710 35 HZ2 LYS 4 2HZ LYS 4 -14.330 -8.533 -21.011 36 HZ3 LYS 4 3HZ LYS 4 -14.744 -9.728 -19.887 37 H HIS 5 H HIS 5 -19.055 -6.522 -16.732 38 HA HIS 5 HA HIS 5 -19.477 -3.658 -16.176 39 HB2 HIS 5 1HB HIS 5 -21.218 -4.776 -17.619 40 HB3 HIS 5 2HB HIS 5 -21.591 -5.823 -16.258 41 HD1 HIS 5 HD1 HIS 5 -23.519 -5.055 -14.930 42 HD2 HIS 5 HD2 HIS 5 -21.570 -1.885 -16.779 43 HE1 HIS 5 HE1 HIS 5 -24.858 -3.010 -14.352 44 HE2 HIS 5 HE2 HIS 5 -23.556 -1.093 -15.328 45 H GLY 6 H GLY 6 -17.736 -5.218 -14.686 46 HA2 GLY 6 1HA GLY 6 -19.002 -6.333 -12.385 47 HA3 GLY 6 2HA GLY 6 -17.289 -5.979 -12.564 48 H LYS 7 H LYS 7 -20.107 -5.136 -10.991 49 HA LYS 7 HA LYS 7 -19.477 -2.365 -10.554 50 HB2 LYS 7 1HB LYS 7 -21.320 -2.539 -8.835 51 HB3 LYS 7 2HB LYS 7 -21.790 -2.867 -10.496 52 HG2 LYS 7 1HG LYS 7 -21.708 -5.260 -10.051 53 HG3 LYS 7 2HG LYS 7 -21.194 -4.942 -8.394 54 HD2 LYS 7 1HD LYS 7 -23.796 -4.003 -9.594 55 HD3 LYS 7 2HD LYS 7 -23.615 -5.452 -8.607 56 HE2 LYS 7 1HE LYS 7 -22.780 -4.049 -6.756 57 HE3 LYS 7 2HE LYS 7 -23.049 -2.615 -7.748 58 HZ1 LYS 7 1HZ LYS 7 -25.121 -4.516 -6.791 59 HZ2 LYS 7 2HZ LYS 7 -25.415 -3.224 -7.841 60 HZ3 LYS 7 3HZ LYS 7 -24.885 -2.925 -6.264 61 H ASN 8 H ASN 8 -18.087 -5.015 -9.588 62 HA ASN 8 HA ASN 8 -17.374 -4.039 -6.917 63 HB2 ASN 8 1HB ASN 8 -16.554 -6.255 -6.414 64 HB3 ASN 8 2HB ASN 8 -18.187 -6.390 -7.051 65 HD21 ASN 8 1HD2 ASN 8 -15.915 -8.290 -6.940 66 HD22 ASN 8 2HD2 ASN 8 -15.694 -8.829 -8.569 67 H SER 9 H SER 9 -16.248 -4.349 -10.107 68 HA SER 9 HA SER 9 -13.571 -4.796 -9.906 69 HB2 SER 9 1HB SER 9 -14.954 -2.891 -11.794 70 HB3 SER 9 2HB SER 9 -13.343 -3.574 -12.021 71 HG SER 9 HG SER 9 -15.308 -4.644 -13.025 72 H TRP 10 H TRP 10 -15.205 -1.689 -9.294 73 HA TRP 10 HA TRP 10 -12.915 -0.084 -9.141 74 HB2 TRP 10 1HB TRP 10 -14.266 1.543 -8.080 75 HB3 TRP 10 2HB TRP 10 -15.396 0.658 -9.098 76 HD1 TRP 10 HD1 TRP 10 -17.342 -0.661 -7.883 77 HE1 TRP 10 HE1 TRP 10 -18.159 -0.771 -5.447 78 HE3 TRP 10 HE3 TRP 10 -13.350 1.567 -5.608 79 HZ2 TRP 10 HZ2 TRP 10 -17.220 -0.029 -2.892 80 HZ3 TRP 10 HZ3 TRP 10 -13.385 1.819 -3.155 81 HH2 TRP 10 HH2 TRP 10 -15.274 1.025 -1.831 82 H LYS 11 H LYS 11 -14.405 -2.343 -7.038 83 HA LYS 11 HA LYS 11 -12.998 -1.540 -4.657 84 HB2 LYS 11 1HB LYS 11 -15.392 -2.628 -4.999 85 HB3 LYS 11 2HB LYS 11 -14.470 -4.122 -4.927 86 HG2 LYS 11 1HG LYS 11 -13.525 -2.649 -2.804 87 HG3 LYS 11 2HG LYS 11 -15.249 -2.314 -2.841 88 HD2 LYS 11 1HD LYS 11 -14.782 -4.238 -1.421 89 HD3 LYS 11 2HD LYS 11 -15.725 -4.716 -2.835 90 HE2 LYS 11 1HE LYS 11 -13.653 -5.486 -3.929 91 HE3 LYS 11 2HE LYS 11 -12.744 -5.029 -2.491 92 HZ1 LYS 11 1HZ LYS 11 -13.958 -6.658 -1.219 93 HZ2 LYS 11 2HZ LYS 11 -13.257 -7.406 -2.562 94 HZ3 LYS 11 3HZ LYS 11 -14.912 -7.060 -2.556 95 H THR 12 H THR 12 -12.842 -3.852 -7.199 96 HA THR 12 HA THR 12 -10.843 -5.538 -6.136 97 HB THR 12 HB THR 12 -10.988 -5.035 -9.077 98 HG1 THR 12 HG1 THR 12 -13.065 -6.065 -7.439 99 HG21 THR 12 1HG2 THR 12 -10.721 -7.440 -9.138 100 HG22 THR 12 2HG2 THR 12 -10.917 -7.521 -7.384 101 HG23 THR 12 3HG2 THR 12 -9.500 -6.725 -8.076 102 H LEU 13 H LEU 13 -10.832 -2.579 -8.049 103 HA LEU 13 HA LEU 13 -8.042 -2.292 -8.362 104 HB2 LEU 13 1HB LEU 13 -9.716 0.110 -7.743 105 HB3 LEU 13 2HB LEU 13 -8.437 -0.055 -8.927 106 HG LEU 13 HG LEU 13 -11.275 -0.961 -9.124 107 HD11 LEU 13 1HD1 LEU 13 -10.951 1.410 -9.463 108 HD12 LEU 13 2HD1 LEU 13 -11.358 0.631 -10.993 109 HD13 LEU 13 3HD1 LEU 13 -9.690 1.095 -10.653 110 HD21 LEU 13 1HD2 LEU 13 -9.020 -1.350 -11.114 111 HD22 LEU 13 2HD2 LEU 13 -10.721 -1.707 -11.417 112 HD23 LEU 13 3HD2 LEU 13 -9.829 -2.627 -10.204 113 H TYR 14 H TYR 14 -10.184 -1.986 -5.754 114 HA TYR 14 HA TYR 14 -8.701 0.060 -4.397 115 HB2 TYR 14 1HB TYR 14 -11.284 -0.248 -4.688 116 HB3 TYR 14 2HB TYR 14 -11.096 -1.284 -3.275 117 HD1 TYR 14 HD1 TYR 14 -10.753 2.083 -4.595 118 HD2 TYR 14 HD2 TYR 14 -10.589 -0.390 -1.145 119 HE1 TYR 14 HE1 TYR 14 -10.683 4.098 -3.151 120 HE2 TYR 14 HE2 TYR 14 -10.522 1.575 0.304 121 HH TYR 14 HH TYR 14 -11.182 4.740 -0.848 122 H LEU 15 H LEU 15 -9.820 -3.233 -3.743 123 HA LEU 15 HA LEU 15 -8.433 -3.452 -1.280 124 HB2 LEU 15 1HB LEU 15 -9.017 -5.746 -1.322 125 HB3 LEU 15 2HB LEU 15 -10.344 -4.912 -2.109 126 HG LEU 15 HG LEU 15 -8.658 -5.596 -4.204 127 HD11 LEU 15 1HD1 LEU 15 -7.369 -7.061 -2.759 128 HD12 LEU 15 2HD1 LEU 15 -8.298 -8.004 -3.924 129 HD13 LEU 15 3HD1 LEU 15 -8.843 -7.885 -2.251 130 HD21 LEU 15 1HD2 LEU 15 -11.093 -7.019 -3.150 131 HD22 LEU 15 2HD2 LEU 15 -10.439 -7.158 -4.783 132 HD23 LEU 15 3HD2 LEU 15 -11.084 -5.613 -4.218 133 H LYS 16 H LYS 16 -7.570 -3.612 -4.570 134 HA LYS 16 HA LYS 16 -5.039 -4.916 -4.240 135 HB2 LYS 16 1HB LYS 16 -6.237 -5.053 -6.387 136 HB3 LYS 16 2HB LYS 16 -6.216 -3.306 -6.518 137 HG2 LYS 16 1HG LYS 16 -3.650 -4.822 -6.331 138 HG3 LYS 16 2HG LYS 16 -4.508 -4.693 -7.866 139 HD2 LYS 16 1HD LYS 16 -3.854 -2.283 -6.181 140 HD3 LYS 16 2HD LYS 16 -2.713 -2.936 -7.374 141 HE2 LYS 16 1HE LYS 16 -5.514 -1.943 -7.919 142 HE3 LYS 16 2HE LYS 16 -4.014 -1.123 -8.344 143 HZ1 LYS 16 1HZ LYS 16 -3.470 -3.001 -9.794 144 HZ2 LYS 16 2HZ LYS 16 -4.915 -2.257 -10.250 145 HZ3 LYS 16 3HZ LYS 16 -4.950 -3.729 -9.422 146 H ILE 17 H ILE 17 -6.361 -1.711 -4.696 147 HA ILE 17 HA ILE 17 -4.083 -0.182 -4.976 148 HB ILE 17 HB ILE 17 -6.793 0.296 -4.881 149 HG12 ILE 17 1HG1 ILE 17 -6.026 2.731 -5.210 150 HG13 ILE 17 2HG1 ILE 17 -4.395 2.090 -5.012 151 HG21 ILE 17 1HG2 ILE 17 -6.806 0.600 -2.457 152 HG22 ILE 17 2HG2 ILE 17 -7.150 2.121 -3.282 153 HG23 ILE 17 3HG2 ILE 17 -5.552 1.834 -2.592 154 HD11 ILE 17 1HD1 ILE 17 -5.071 2.288 -7.371 155 HD12 ILE 17 2HD1 ILE 17 -6.383 1.145 -7.066 156 HD13 ILE 17 3HD1 ILE 17 -4.704 0.627 -6.904 157 H SER 18 H SER 18 -5.615 -1.426 -2.147 158 HA SER 18 HA SER 18 -3.968 0.196 -0.419 159 HB2 SER 18 1HB SER 18 -6.355 -0.292 0.163 160 HB3 SER 18 2HB SER 18 -5.930 -1.992 0.339 161 HG SER 18 HG SER 18 -5.309 -1.546 2.277 162 H PHE 19 H PHE 19 -4.268 -3.033 -1.609 163 HA PHE 19 HA PHE 19 -2.534 -4.447 0.021 164 HB2 PHE 19 1HB PHE 19 -3.520 -5.918 -1.393 165 HB3 PHE 19 2HB PHE 19 -3.668 -4.716 -2.675 166 HD1 PHE 19 HD1 PHE 19 -1.061 -6.802 -0.992 167 HD2 PHE 19 HD2 PHE 19 -2.435 -4.953 -4.563 168 HE1 PHE 19 HE1 PHE 19 0.806 -7.801 -2.216 169 HE2 PHE 19 HE2 PHE 19 -0.577 -5.942 -5.805 170 HZ PHE 19 HZ PHE 19 1.054 -7.386 -4.640 171 H LEU 20 H LEU 20 -1.660 -3.002 -3.171 172 HA LEU 20 HA LEU 20 1.127 -3.422 -2.573 173 HB2 LEU 20 1HB LEU 20 1.660 -2.521 -4.651 174 HB3 LEU 20 2HB LEU 20 0.100 -3.265 -4.921 175 HG LEU 20 HG LEU 20 0.520 -0.314 -4.458 176 HD11 LEU 20 1HD1 LEU 20 0.064 -1.831 -7.024 177 HD12 LEU 20 2HD1 LEU 20 1.554 -1.018 -6.547 178 HD13 LEU 20 3HD1 LEU 20 0.097 -0.075 -6.857 179 HD21 LEU 20 1HD2 LEU 20 -1.853 -2.022 -5.074 180 HD22 LEU 20 2HD2 LEU 20 -1.807 -0.318 -5.545 181 HD23 LEU 20 3HD2 LEU 20 -1.666 -0.763 -3.837 182 H GLY 21 H GLY 21 -1.197 -1.018 -2.023 183 HA2 GLY 21 1HA GLY 21 0.501 1.176 -1.443 184 HA3 GLY 21 2HA GLY 21 -1.173 0.968 -0.943 185 H CYS 22 H CYS 22 0.006 -1.732 0.118 186 HA CYS 22 HA CYS 22 0.499 -0.864 2.835 187 HB2 CYS 22 1HB CYS 22 0.364 -3.601 1.551 188 HB3 CYS 22 2HB CYS 22 0.742 -3.328 3.246 189 HG CYS 22 HG CYS 22 -2.193 -2.240 1.878 190 H LYS 23 H LYS 23 2.013 -2.731 0.313 191 HA LYS 23 HA LYS 23 4.557 -3.036 1.317 192 HB2 LYS 23 1HB LYS 23 3.612 -2.489 -1.463 193 HB3 LYS 23 2HB LYS 23 5.245 -3.015 -1.081 194 HG2 LYS 23 1HG LYS 23 4.363 -5.107 -0.167 195 HG3 LYS 23 2HG LYS 23 2.723 -4.577 -0.549 196 HD2 LYS 23 1HD LYS 23 3.207 -4.580 -2.897 197 HD3 LYS 23 2HD LYS 23 4.916 -4.901 -2.594 198 HE2 LYS 23 1HE LYS 23 4.224 -7.061 -1.532 199 HE3 LYS 23 2HE LYS 23 2.581 -6.735 -2.080 200 HZ1 LYS 23 1HZ LYS 23 4.961 -7.041 -3.827 201 HZ2 LYS 23 2HZ LYS 23 3.395 -6.713 -4.362 202 HZ3 LYS 23 3HZ LYS 23 3.741 -8.189 -3.613 203 H VAL 24 H VAL 24 3.047 -0.449 -0.378 204 HA VAL 24 HA VAL 24 5.402 1.171 -0.430 205 HB VAL 24 HB VAL 24 2.564 1.892 -1.055 206 HG11 VAL 24 1HG1 VAL 24 3.912 3.854 -0.563 207 HG12 VAL 24 2HG1 VAL 24 3.499 3.787 -2.275 208 HG13 VAL 24 3HG1 VAL 24 5.114 3.328 -1.738 209 HG21 VAL 24 1HG2 VAL 24 3.163 1.529 -3.376 210 HG22 VAL 24 2HG2 VAL 24 3.481 0.070 -2.428 211 HG23 VAL 24 3HG2 VAL 24 4.814 1.127 -2.897 212 H VAL 25 H VAL 25 2.713 0.648 1.612 213 HA VAL 25 HA VAL 25 2.944 2.995 3.198 214 HB VAL 25 HB VAL 25 1.618 0.404 3.500 215 HG11 VAL 25 1HG1 VAL 25 1.420 0.471 5.943 216 HG12 VAL 25 2HG1 VAL 25 2.603 1.778 6.001 217 HG13 VAL 25 3HG1 VAL 25 3.087 0.176 5.443 218 HG21 VAL 25 1HG2 VAL 25 -0.041 1.839 4.609 219 HG22 VAL 25 2HG2 VAL 25 0.452 2.438 3.025 220 HG23 VAL 25 3HG2 VAL 25 1.100 3.182 4.493 221 H ALA 26 H ALA 26 4.629 -0.024 3.030 222 HA ALA 26 HA ALA 26 6.134 0.270 5.389 223 HB1 ALA 26 1HB ALA 26 5.875 -1.884 4.281 224 HB2 ALA 26 2HB ALA 26 7.579 -1.473 4.472 225 HB3 ALA 26 3HB ALA 26 6.799 -1.291 2.901 226 H LEU 27 H LEU 27 6.524 1.581 2.141 227 HA LEU 27 HA LEU 27 9.150 2.564 2.930 228 HB2 LEU 27 1HB LEU 27 9.434 3.370 0.691 229 HB3 LEU 27 2HB LEU 27 8.892 1.706 0.673 230 HG LEU 27 HG LEU 27 6.528 2.794 0.307 231 HD11 LEU 27 1HD1 LEU 27 7.238 5.104 0.586 232 HD12 LEU 27 2HD1 LEU 27 6.655 4.824 -1.055 233 HD13 LEU 27 3HD1 LEU 27 8.387 4.925 -0.740 234 HD21 LEU 27 1HD2 LEU 27 6.920 2.642 -2.120 235 HD22 LEU 27 2HD2 LEU 27 7.611 1.282 -1.236 236 HD23 LEU 27 3HD2 LEU 27 8.656 2.579 -1.817 237 H LEU 28 H LEU 28 5.908 3.645 2.688 238 HA LEU 28 HA LEU 28 6.557 6.455 2.711 239 HB2 LEU 28 1HB LEU 28 4.690 6.060 1.453 240 HB3 LEU 28 2HB LEU 28 4.122 4.780 2.502 241 HG LEU 28 HG LEU 28 3.906 7.038 4.078 242 HD11 LEU 28 1HD1 LEU 28 2.660 8.636 2.719 243 HD12 LEU 28 2HD1 LEU 28 3.014 7.691 1.273 244 HD13 LEU 28 3HD1 LEU 28 4.323 8.478 2.155 245 HD21 LEU 28 1HD2 LEU 28 1.535 6.642 3.837 246 HD22 LEU 28 2HD2 LEU 28 2.406 5.102 3.894 247 HD23 LEU 28 3HD2 LEU 28 1.813 5.729 2.353 248 H LYS 29 H LYS 29 4.395 4.582 4.877 249 HA LYS 29 HA LYS 29 4.967 6.435 7.034 250 HB2 LYS 29 1HB LYS 29 3.175 4.005 6.914 251 HB3 LYS 29 2HB LYS 29 3.360 5.017 8.337 252 HG2 LYS 29 1HG LYS 29 2.263 5.889 5.674 253 HG3 LYS 29 2HG LYS 29 1.329 5.559 7.131 254 HD2 LYS 29 1HD LYS 29 2.482 7.385 8.282 255 HD3 LYS 29 2HD LYS 29 3.417 7.714 6.822 256 HE2 LYS 29 1HE LYS 29 1.311 8.173 5.616 257 HE3 LYS 29 2HE LYS 29 0.424 7.927 7.118 258 HZ1 LYS 29 1HZ LYS 29 1.630 9.781 8.089 259 HZ2 LYS 29 2HZ LYS 29 0.810 10.269 6.693 260 HZ3 LYS 29 3HZ LYS 29 2.478 10.015 6.645 261 H ARG 30 H ARG 30 5.643 3.255 6.008 262 HA ARG 30 HA ARG 30 7.295 1.819 6.457 263 HB2 ARG 30 1HB ARG 30 8.437 4.004 8.210 264 HB3 ARG 30 2HB ARG 30 9.299 2.567 7.672 265 HG2 ARG 30 1HG ARG 30 9.124 3.284 5.370 266 HG3 ARG 30 2HG ARG 30 8.168 4.683 5.854 267 HD2 ARG 30 1HD ARG 30 10.090 5.510 7.156 268 HD3 ARG 30 2HD ARG 30 11.038 4.132 6.591 269 HE ARG 30 HE ARG 30 9.991 5.431 4.350 270 HH11 ARG 30 1HH1 ARG 30 12.298 6.058 6.914 271 HH12 ARG 30 2HH1 ARG 30 13.258 7.138 5.956 272 HH21 ARG 30 1HH2 ARG 30 11.267 6.844 3.087 273 HH22 ARG 30 2HH2 ARG 30 12.679 7.577 3.780 Start of MODEL 6 1 H1 MET 1 1H MET 1 -13.705 -18.278 -8.503 2 H2 MET 1 2H MET 1 -14.446 -19.792 -8.626 3 H3 MET 1 3H MET 1 -15.242 -18.411 -9.191 4 HA MET 1 HA MET 1 -12.734 -19.503 -10.288 5 HB2 MET 1 1HB MET 1 -14.621 -20.962 -10.789 6 HB3 MET 1 2HB MET 1 -15.547 -19.590 -11.373 7 HG2 MET 1 1HG MET 1 -13.943 -19.282 -13.194 8 HG3 MET 1 2HG MET 1 -13.023 -20.668 -12.612 9 HE1 MET 1 1HE MET 1 -14.718 -21.940 -15.941 10 HE2 MET 1 2HE MET 1 -13.190 -21.654 -15.109 11 HE3 MET 1 3HE MET 1 -14.184 -20.290 -15.618 12 H ALA 2 H ALA 2 -15.441 -17.689 -11.603 13 HA ALA 2 HA ALA 2 -13.670 -15.421 -12.111 14 HB1 ALA 2 1HB ALA 2 -14.333 -15.327 -14.473 15 HB2 ALA 2 2HB ALA 2 -15.211 -16.843 -14.279 16 HB3 ALA 2 3HB ALA 2 -13.458 -16.809 -14.093 17 H THR 3 H THR 3 -14.711 -13.468 -12.388 18 HA THR 3 HA THR 3 -17.612 -13.397 -12.409 19 HB THR 3 HB THR 3 -17.172 -13.433 -10.030 20 HG1 THR 3 HG1 THR 3 -18.697 -11.998 -9.929 21 HG21 THR 3 1HG2 THR 3 -14.844 -12.684 -10.031 22 HG22 THR 3 2HG2 THR 3 -15.816 -11.716 -8.923 23 HG23 THR 3 3HG2 THR 3 -15.357 -11.062 -10.495 24 H LYS 4 H LYS 4 -18.295 -11.828 -13.715 25 HA LYS 4 HA LYS 4 -16.672 -9.447 -14.121 26 HB2 LYS 4 1HB LYS 4 -16.864 -9.716 -16.613 27 HB3 LYS 4 2HB LYS 4 -15.795 -10.866 -15.826 28 HG2 LYS 4 1HG LYS 4 -17.706 -12.499 -15.852 29 HG3 LYS 4 2HG LYS 4 -18.566 -11.354 -16.881 30 HD2 LYS 4 1HD LYS 4 -17.476 -13.045 -18.235 31 HD3 LYS 4 2HD LYS 4 -16.730 -11.471 -18.509 32 HE2 LYS 4 1HE LYS 4 -14.883 -12.051 -17.061 33 HE3 LYS 4 2HE LYS 4 -15.655 -13.578 -16.637 34 HZ1 LYS 4 1HZ LYS 4 -14.653 -12.803 -19.323 35 HZ2 LYS 4 2HZ LYS 4 -15.455 -14.249 -18.967 36 HZ3 LYS 4 3HZ LYS 4 -13.947 -13.928 -18.276 37 H HIS 5 H HIS 5 -19.146 -9.899 -12.819 38 HA HIS 5 HA HIS 5 -20.888 -8.251 -14.513 39 HB2 HIS 5 1HB HIS 5 -22.865 -9.368 -13.492 40 HB3 HIS 5 2HB HIS 5 -21.894 -10.448 -14.478 41 HD1 HIS 5 HD1 HIS 5 -21.457 -12.648 -13.448 42 HD2 HIS 5 HD2 HIS 5 -22.182 -9.732 -10.578 43 HE1 HIS 5 HE1 HIS 5 -21.454 -13.852 -11.242 44 HE2 HIS 5 HE2 HIS 5 -21.726 -12.042 -9.512 45 H GLY 6 H GLY 6 -22.200 -6.730 -13.411 46 HA2 GLY 6 1HA GLY 6 -22.850 -5.370 -11.656 47 HA3 GLY 6 2HA GLY 6 -22.018 -6.455 -10.552 48 H LYS 7 H LYS 7 -21.335 -4.488 -9.480 49 HA LYS 7 HA LYS 7 -19.130 -3.133 -10.876 50 HB2 LYS 7 1HB LYS 7 -19.499 -1.301 -9.163 51 HB3 LYS 7 2HB LYS 7 -20.752 -1.491 -10.379 52 HG2 LYS 7 1HG LYS 7 -22.165 -2.650 -8.793 53 HG3 LYS 7 2HG LYS 7 -20.892 -2.584 -7.575 54 HD2 LYS 7 1HD LYS 7 -22.528 -0.855 -7.143 55 HD3 LYS 7 2HD LYS 7 -21.001 -0.121 -7.631 56 HE2 LYS 7 1HE LYS 7 -22.834 1.010 -8.722 57 HE3 LYS 7 2HE LYS 7 -21.885 0.132 -9.916 58 HZ1 LYS 7 1HZ LYS 7 -23.551 -1.631 -9.871 59 HZ2 LYS 7 2HZ LYS 7 -24.240 -0.150 -10.304 60 HZ3 LYS 7 3HZ LYS 7 -24.466 -0.761 -8.744 61 H ASN 8 H ASN 8 -17.668 -4.767 -10.309 62 HA ASN 8 HA ASN 8 -16.894 -4.738 -7.475 63 HB2 ASN 8 1HB ASN 8 -16.242 -7.087 -7.632 64 HB3 ASN 8 2HB ASN 8 -17.947 -6.886 -8.014 65 HD21 ASN 8 1HD2 ASN 8 -16.147 -9.047 -8.696 66 HD22 ASN 8 2HD2 ASN 8 -16.142 -9.160 -10.420 67 H SER 9 H SER 9 -15.852 -4.815 -10.812 68 HA SER 9 HA SER 9 -13.157 -5.177 -10.615 69 HB2 SER 9 1HB SER 9 -14.334 -4.930 -12.752 70 HB3 SER 9 2HB SER 9 -14.587 -3.218 -12.422 71 HG SER 9 HG SER 9 -12.791 -3.448 -13.741 72 H TRP 10 H TRP 10 -14.910 -2.114 -10.065 73 HA TRP 10 HA TRP 10 -12.700 -0.454 -9.729 74 HB2 TRP 10 1HB TRP 10 -14.179 1.129 -8.782 75 HB3 TRP 10 2HB TRP 10 -15.188 0.203 -9.885 76 HD1 TRP 10 HD1 TRP 10 -17.168 -1.208 -8.835 77 HE1 TRP 10 HE1 TRP 10 -18.179 -1.342 -6.473 78 HE3 TRP 10 HE3 TRP 10 -13.499 1.240 -6.257 79 HZ2 TRP 10 HZ2 TRP 10 -17.514 -0.505 -3.856 80 HZ3 TRP 10 HZ3 TRP 10 -13.765 1.535 -3.824 81 HH2 TRP 10 HH2 TRP 10 -15.726 0.676 -2.651 82 H LYS 11 H LYS 11 -14.289 -2.727 -7.678 83 HA LYS 11 HA LYS 11 -13.071 -1.846 -5.228 84 HB2 LYS 11 1HB LYS 11 -15.347 -3.170 -5.766 85 HB3 LYS 11 2HB LYS 11 -14.286 -4.545 -5.484 86 HG2 LYS 11 1HG LYS 11 -13.728 -2.819 -3.409 87 HG3 LYS 11 2HG LYS 11 -15.468 -2.702 -3.634 88 HD2 LYS 11 1HD LYS 11 -14.902 -4.444 -2.016 89 HD3 LYS 11 2HD LYS 11 -15.674 -5.126 -3.448 90 HE2 LYS 11 1HE LYS 11 -13.577 -5.903 -4.299 91 HE3 LYS 11 2HE LYS 11 -12.687 -5.012 -3.064 92 HZ1 LYS 11 1HZ LYS 11 -14.532 -7.280 -2.537 93 HZ2 LYS 11 2HZ LYS 11 -13.629 -6.448 -1.378 94 HZ3 LYS 11 3HZ LYS 11 -12.846 -7.377 -2.551 95 H THR 12 H THR 12 -12.593 -4.116 -7.735 96 HA THR 12 HA THR 12 -10.577 -5.675 -6.491 97 HB THR 12 HB THR 12 -10.703 -5.345 -9.458 98 HG1 THR 12 HG1 THR 12 -12.852 -5.864 -7.935 99 HG21 THR 12 1HG2 THR 12 -10.438 -7.692 -7.603 100 HG22 THR 12 2HG2 THR 12 -9.102 -6.865 -8.415 101 HG23 THR 12 3HG2 THR 12 -10.313 -7.743 -9.364 102 H LEU 13 H LEU 13 -10.654 -2.713 -8.374 103 HA LEU 13 HA LEU 13 -7.836 -2.354 -8.595 104 HB2 LEU 13 1HB LEU 13 -9.665 -0.028 -8.114 105 HB3 LEU 13 2HB LEU 13 -8.283 -0.129 -9.186 106 HG LEU 13 HG LEU 13 -11.051 -1.163 -9.612 107 HD11 LEU 13 1HD1 LEU 13 -9.396 0.943 -10.990 108 HD12 LEU 13 2HD1 LEU 13 -10.823 1.194 -9.984 109 HD13 LEU 13 3HD1 LEU 13 -10.974 0.384 -11.543 110 HD21 LEU 13 1HD2 LEU 13 -10.266 -1.914 -11.838 111 HD22 LEU 13 2HD2 LEU 13 -9.483 -2.799 -10.529 112 HD23 LEU 13 3HD2 LEU 13 -8.611 -1.518 -11.372 113 H TYR 14 H TYR 14 -10.138 -2.132 -6.127 114 HA TYR 14 HA TYR 14 -8.864 0.003 -4.700 115 HB2 TYR 14 1HB TYR 14 -11.397 -0.462 -5.149 116 HB3 TYR 14 2HB TYR 14 -11.246 -1.469 -3.710 117 HD1 TYR 14 HD1 TYR 14 -11.122 1.884 -5.067 118 HD2 TYR 14 HD2 TYR 14 -10.818 -0.510 -1.572 119 HE1 TYR 14 HE1 TYR 14 -11.281 3.915 -3.659 120 HE2 TYR 14 HE2 TYR 14 -10.968 1.471 -0.157 121 HH TYR 14 HH TYR 14 -11.837 4.579 -1.428 122 H LEU 15 H LEU 15 -9.893 -3.314 -4.024 123 HA LEU 15 HA LEU 15 -8.604 -3.489 -1.526 124 HB2 LEU 15 1HB LEU 15 -9.041 -5.817 -1.644 125 HB3 LEU 15 2HB LEU 15 -10.372 -5.038 -2.481 126 HG LEU 15 HG LEU 15 -8.580 -5.553 -4.519 127 HD11 LEU 15 1HD1 LEU 15 -7.987 -7.907 -4.295 128 HD12 LEU 15 2HD1 LEU 15 -8.618 -7.916 -2.649 129 HD13 LEU 15 3HD1 LEU 15 -7.211 -6.930 -3.049 130 HD21 LEU 15 1HD2 LEU 15 -10.991 -5.793 -4.613 131 HD22 LEU 15 2HD2 LEU 15 -10.905 -7.217 -3.575 132 HD23 LEU 15 3HD2 LEU 15 -10.192 -7.258 -5.187 133 H LYS 16 H LYS 16 -7.557 -3.615 -4.783 134 HA LYS 16 HA LYS 16 -4.984 -4.785 -4.306 135 HB2 LYS 16 1HB LYS 16 -6.010 -4.997 -6.516 136 HB3 LYS 16 2HB LYS 16 -6.132 -3.253 -6.651 137 HG2 LYS 16 1HG LYS 16 -3.450 -4.506 -6.297 138 HG3 LYS 16 2HG LYS 16 -4.231 -4.532 -7.877 139 HD2 LYS 16 1HD LYS 16 -3.926 -1.993 -6.286 140 HD3 LYS 16 2HD LYS 16 -2.651 -2.580 -7.369 141 HE2 LYS 16 1HE LYS 16 -4.473 -2.686 -9.169 142 HE3 LYS 16 2HE LYS 16 -5.447 -1.716 -8.067 143 HZ1 LYS 16 1HZ LYS 16 -2.801 -0.955 -9.174 144 HZ2 LYS 16 2HZ LYS 16 -3.719 -0.017 -8.110 145 HZ3 LYS 16 3HZ LYS 16 -4.295 -0.337 -9.667 146 H ILE 17 H ILE 17 -6.401 -1.643 -4.868 147 HA ILE 17 HA ILE 17 -4.196 -0.003 -5.008 148 HB ILE 17 HB ILE 17 -6.931 0.325 -5.032 149 HG12 ILE 17 1HG1 ILE 17 -6.294 2.808 -5.297 150 HG13 ILE 17 2HG1 ILE 17 -4.638 2.252 -5.048 151 HG21 ILE 17 1HG2 ILE 17 -5.904 1.946 -2.694 152 HG22 ILE 17 2HG2 ILE 17 -7.033 0.593 -2.590 153 HG23 ILE 17 3HG2 ILE 17 -7.503 2.071 -3.433 154 HD11 ILE 17 1HD1 ILE 17 -6.515 1.305 -7.201 155 HD12 ILE 17 2HD1 ILE 17 -4.864 0.743 -6.952 156 HD13 ILE 17 3HD1 ILE 17 -5.162 2.418 -7.418 157 H SER 18 H SER 18 -5.788 -1.350 -2.274 158 HA SER 18 HA SER 18 -4.358 0.356 -0.443 159 HB2 SER 18 1HB SER 18 -6.215 -1.961 0.164 160 HB3 SER 18 2HB SER 18 -5.698 -0.708 1.288 161 HG SER 18 HG SER 18 -7.446 -0.500 -0.924 162 H PHE 19 H PHE 19 -4.397 -2.864 -1.650 163 HA PHE 19 HA PHE 19 -2.701 -4.192 0.108 164 HB2 PHE 19 1HB PHE 19 -3.640 -5.717 -1.278 165 HB3 PHE 19 2HB PHE 19 -3.767 -4.554 -2.599 166 HD1 PHE 19 HD1 PHE 19 -2.404 -4.712 -4.415 167 HD2 PHE 19 HD2 PHE 19 -1.276 -6.690 -0.824 168 HE1 PHE 19 HE1 PHE 19 -0.508 -5.710 -5.584 169 HE2 PHE 19 HE2 PHE 19 0.629 -7.716 -1.984 170 HZ PHE 19 HZ PHE 19 1.022 -7.237 -4.376 171 H LEU 20 H LEU 20 -1.780 -2.782 -3.089 172 HA LEU 20 HA LEU 20 0.990 -3.221 -2.447 173 HB2 LEU 20 1HB LEU 20 1.557 -2.338 -4.521 174 HB3 LEU 20 2HB LEU 20 -0.012 -3.060 -4.809 175 HG LEU 20 HG LEU 20 0.437 -0.117 -4.327 176 HD11 LEU 20 1HD1 LEU 20 0.013 -1.619 -6.905 177 HD12 LEU 20 2HD1 LEU 20 1.504 -0.822 -6.398 178 HD13 LEU 20 3HD1 LEU 20 0.060 0.135 -6.731 179 HD21 LEU 20 1HD2 LEU 20 -1.938 -1.803 -4.980 180 HD22 LEU 20 2HD2 LEU 20 -1.870 -0.102 -5.465 181 HD23 LEU 20 3HD2 LEU 20 -1.763 -0.533 -3.752 182 H GLY 21 H GLY 21 -1.325 -0.796 -1.937 183 HA2 GLY 21 1HA GLY 21 0.355 1.399 -1.349 184 HA3 GLY 21 2HA GLY 21 -1.308 1.166 -0.823 185 H CYS 22 H CYS 22 -0.117 -1.515 0.213 186 HA CYS 22 HA CYS 22 0.497 -0.658 2.908 187 HB2 CYS 22 1HB CYS 22 0.301 -3.395 1.630 188 HB3 CYS 22 2HB CYS 22 0.662 -3.115 3.324 189 HG CYS 22 HG CYS 22 -2.264 -2.216 1.789 190 H LYS 23 H LYS 23 1.892 -2.549 0.322 191 HA LYS 23 HA LYS 23 4.475 -2.875 1.243 192 HB2 LYS 23 1HB LYS 23 3.390 -2.408 -1.491 193 HB3 LYS 23 2HB LYS 23 5.063 -2.865 -1.205 194 HG2 LYS 23 1HG LYS 23 4.303 -4.953 -0.157 195 HG3 LYS 23 2HG LYS 23 2.632 -4.497 -0.491 196 HD2 LYS 23 1HD LYS 23 3.028 -4.575 -2.861 197 HD3 LYS 23 2HD LYS 23 4.754 -4.835 -2.604 198 HE2 LYS 23 1HE LYS 23 2.561 -6.721 -1.753 199 HE3 LYS 23 2HE LYS 23 3.557 -6.907 -3.194 200 HZ1 LYS 23 1HZ LYS 23 4.550 -6.899 -0.396 201 HZ2 LYS 23 2HZ LYS 23 5.509 -7.072 -1.777 202 HZ3 LYS 23 3HZ LYS 23 4.377 -8.263 -1.379 203 H VAL 24 H VAL 24 2.918 -0.287 -0.375 204 HA VAL 24 HA VAL 24 5.284 1.313 -0.571 205 HB VAL 24 HB VAL 24 2.417 2.048 -1.012 206 HG11 VAL 24 1HG1 VAL 24 4.918 3.511 -1.816 207 HG12 VAL 24 2HG1 VAL 24 3.777 4.016 -0.570 208 HG13 VAL 24 3HG1 VAL 24 3.275 3.969 -2.261 209 HG21 VAL 24 1HG2 VAL 24 4.556 1.352 -3.006 210 HG22 VAL 24 2HG2 VAL 24 2.862 1.705 -3.361 211 HG23 VAL 24 3HG2 VAL 24 3.296 0.248 -2.456 212 H VAL 25 H VAL 25 2.756 0.762 1.647 213 HA VAL 25 HA VAL 25 3.116 3.091 3.254 214 HB VAL 25 HB VAL 25 1.801 0.492 3.622 215 HG11 VAL 25 1HG1 VAL 25 3.377 0.246 5.454 216 HG12 VAL 25 2HG1 VAL 25 1.775 0.612 6.092 217 HG13 VAL 25 3HG1 VAL 25 3.007 1.874 6.020 218 HG21 VAL 25 1HG2 VAL 25 0.600 2.527 3.226 219 HG22 VAL 25 2HG2 VAL 25 1.347 3.274 4.645 220 HG23 VAL 25 3HG2 VAL 25 0.218 1.929 4.842 221 H ALA 26 H ALA 26 4.674 -0.016 3.006 222 HA ALA 26 HA ALA 26 6.376 0.245 5.203 223 HB1 ALA 26 1HB ALA 26 7.696 -1.537 4.192 224 HB2 ALA 26 2HB ALA 26 6.836 -1.316 2.669 225 HB3 ALA 26 3HB ALA 26 5.973 -1.894 4.094 226 H LEU 27 H LEU 27 6.550 1.598 1.962 227 HA LEU 27 HA LEU 27 9.241 2.532 2.594 228 HB2 LEU 27 1HB LEU 27 9.372 3.404 0.367 229 HB3 LEU 27 2HB LEU 27 8.835 1.741 0.340 230 HG LEU 27 HG LEU 27 6.453 2.827 0.152 231 HD11 LEU 27 1HD1 LEU 27 7.176 5.132 0.463 232 HD12 LEU 27 2HD1 LEU 27 6.478 4.902 -1.140 233 HD13 LEU 27 3HD1 LEU 27 8.227 5.003 -0.947 234 HD21 LEU 27 1HD2 LEU 27 8.447 2.689 -2.102 235 HD22 LEU 27 2HD2 LEU 27 6.698 2.770 -2.304 236 HD23 LEU 27 3HD2 LEU 27 7.430 1.376 -1.510 237 H LEU 28 H LEU 28 6.006 3.645 2.683 238 HA LEU 28 HA LEU 28 6.668 6.452 2.634 239 HB2 LEU 28 1HB LEU 28 4.654 6.040 1.613 240 HB3 LEU 28 2HB LEU 28 4.204 4.801 2.765 241 HG LEU 28 HG LEU 28 4.212 7.075 4.306 242 HD11 LEU 28 1HD1 LEU 28 4.485 8.496 2.350 243 HD12 LEU 28 2HD1 LEU 28 2.896 8.721 3.082 244 HD13 LEU 28 3HD1 LEU 28 3.060 7.765 1.609 245 HD21 LEU 28 1HD2 LEU 28 2.610 5.248 4.353 246 HD22 LEU 28 2HD2 LEU 28 1.923 5.799 2.822 247 HD23 LEU 28 3HD2 LEU 28 1.790 6.810 4.261 248 H LYS 29 H LYS 29 4.691 4.689 5.012 249 HA LYS 29 HA LYS 29 5.693 6.439 7.093 250 HB2 LYS 29 1HB LYS 29 4.038 5.217 8.541 251 HB3 LYS 29 2HB LYS 29 3.348 6.113 7.195 252 HG2 LYS 29 1HG LYS 29 3.205 4.035 5.906 253 HG3 LYS 29 2HG LYS 29 3.842 3.151 7.297 254 HD2 LYS 29 1HD LYS 29 1.310 4.792 7.340 255 HD3 LYS 29 2HD LYS 29 1.362 3.045 7.101 256 HE2 LYS 29 1HE LYS 29 2.449 2.793 9.287 257 HE3 LYS 29 2HE LYS 29 2.363 4.537 9.524 258 HZ1 LYS 29 1HZ LYS 29 0.573 3.383 10.663 259 HZ2 LYS 29 2HZ LYS 29 0.029 2.731 9.202 260 HZ3 LYS 29 3HZ LYS 29 -0.037 4.401 9.459 261 H ARG 30 H ARG 30 5.988 3.275 5.911 262 HA ARG 30 HA ARG 30 7.422 1.587 6.313 263 HB2 ARG 30 1HB ARG 30 8.873 3.536 8.111 264 HB3 ARG 30 2HB ARG 30 9.509 2.009 7.522 265 HG2 ARG 30 1HG ARG 30 9.438 2.846 5.235 266 HG3 ARG 30 2HG ARG 30 8.772 4.375 5.813 267 HD2 ARG 30 1HD ARG 30 11.467 3.219 6.505 268 HD3 ARG 30 2HD ARG 30 11.158 4.581 5.428 269 HE ARG 30 HE ARG 30 10.038 5.466 7.654 270 HH11 ARG 30 1HH1 ARG 30 13.105 3.846 7.199 271 HH12 ARG 30 2HH1 ARG 30 13.862 4.635 8.546 272 HH21 ARG 30 1HH2 ARG 30 11.027 6.501 9.428 273 HH22 ARG 30 2HH2 ARG 30 12.685 6.157 9.804 Start of MODEL 7 1 H1 MET 1 1H MET 1 -34.550 0.819 -10.540 2 H2 MET 1 2H MET 1 -35.024 -0.616 -11.291 3 H3 MET 1 3H MET 1 -33.486 0.017 -11.576 4 HA MET 1 HA MET 1 -32.826 -0.365 -9.331 5 HB2 MET 1 1HB MET 1 -35.649 -1.396 -9.027 6 HB3 MET 1 2HB MET 1 -34.374 -1.696 -7.858 7 HG2 MET 1 1HG MET 1 -35.460 0.992 -8.660 8 HG3 MET 1 2HG MET 1 -35.782 0.139 -7.153 9 HE1 MET 1 1HE MET 1 -32.997 -1.099 -6.427 10 HE2 MET 1 2HE MET 1 -33.953 -0.229 -5.228 11 HE3 MET 1 3HE MET 1 -32.250 0.162 -5.448 12 H ALA 2 H ALA 2 -32.281 -1.505 -11.739 13 HA ALA 2 HA ALA 2 -32.263 -4.370 -11.075 14 HB1 ALA 2 1HB ALA 2 -32.695 -3.221 -13.832 15 HB2 ALA 2 2HB ALA 2 -33.930 -3.980 -12.827 16 HB3 ALA 2 3HB ALA 2 -32.573 -4.934 -13.425 17 H THR 3 H THR 3 -30.439 -5.505 -11.673 18 HA THR 3 HA THR 3 -28.209 -5.825 -11.828 19 HB THR 3 HB THR 3 -27.153 -4.805 -13.923 20 HG1 THR 3 HG1 THR 3 -29.333 -3.317 -13.838 21 HG21 THR 3 1HG2 THR 3 -28.040 -7.077 -13.835 22 HG22 THR 3 2HG2 THR 3 -28.377 -6.330 -15.397 23 HG23 THR 3 3HG2 THR 3 -29.655 -6.469 -14.192 24 H LYS 4 H LYS 4 -28.648 -3.999 -9.881 25 HA LYS 4 HA LYS 4 -26.820 -1.769 -10.291 26 HB2 LYS 4 1HB LYS 4 -28.480 -2.596 -7.909 27 HB3 LYS 4 2HB LYS 4 -27.422 -1.194 -7.928 28 HG2 LYS 4 1HG LYS 4 -28.735 -0.239 -9.761 29 HG3 LYS 4 2HG LYS 4 -29.804 -1.640 -9.712 30 HD2 LYS 4 1HD LYS 4 -30.951 -0.042 -8.469 31 HD3 LYS 4 2HD LYS 4 -30.157 -1.025 -7.242 32 HE2 LYS 4 1HE LYS 4 -29.070 1.581 -8.300 33 HE3 LYS 4 2HE LYS 4 -30.042 1.436 -6.840 34 HZ1 LYS 4 1HZ LYS 4 -28.283 -0.140 -6.025 35 HZ2 LYS 4 2HZ LYS 4 -27.814 1.474 -6.157 36 HZ3 LYS 4 3HZ LYS 4 -27.325 0.362 -7.327 37 H HIS 5 H HIS 5 -26.199 -4.759 -10.060 38 HA HIS 5 HA HIS 5 -23.813 -4.373 -8.431 39 HB2 HIS 5 1HB HIS 5 -24.025 -6.619 -7.442 40 HB3 HIS 5 2HB HIS 5 -25.364 -5.583 -6.973 41 HD1 HIS 5 HD1 HIS 5 -27.715 -6.245 -7.768 42 HD2 HIS 5 HD2 HIS 5 -24.717 -8.804 -9.093 43 HE1 HIS 5 HE1 HIS 5 -28.902 -8.263 -8.684 44 HE2 HIS 5 HE2 HIS 5 -27.065 -9.860 -9.329 45 H GLY 6 H GLY 6 -22.022 -5.540 -9.145 46 HA2 GLY 6 1HA GLY 6 -21.535 -7.516 -10.770 47 HA3 GLY 6 2HA GLY 6 -22.268 -6.424 -11.932 48 H LYS 7 H LYS 7 -21.216 -4.074 -10.670 49 HA LYS 7 HA LYS 7 -18.614 -4.017 -11.863 50 HB2 LYS 7 1HB LYS 7 -18.574 -1.650 -10.992 51 HB3 LYS 7 2HB LYS 7 -19.892 -2.023 -12.092 52 HG2 LYS 7 1HG LYS 7 -21.440 -2.181 -10.251 53 HG3 LYS 7 2HG LYS 7 -20.130 -1.960 -9.092 54 HD2 LYS 7 1HD LYS 7 -21.250 0.132 -9.315 55 HD3 LYS 7 2HD LYS 7 -19.697 0.274 -10.136 56 HE2 LYS 7 1HE LYS 7 -21.400 1.300 -11.490 57 HE3 LYS 7 2HE LYS 7 -20.845 -0.172 -12.284 58 HZ1 LYS 7 1HZ LYS 7 -22.800 -1.315 -11.411 59 HZ2 LYS 7 2HZ LYS 7 -23.240 0.001 -12.376 60 HZ3 LYS 7 3HZ LYS 7 -23.336 0.117 -10.691 61 H ASN 8 H ASN 8 -17.280 -5.361 -10.759 62 HA ASN 8 HA ASN 8 -16.808 -4.681 -7.933 63 HB2 ASN 8 1HB ASN 8 -16.203 -6.980 -7.503 64 HB3 ASN 8 2HB ASN 8 -17.794 -6.934 -8.253 65 HD21 ASN 8 1HD2 ASN 8 -18.037 -7.676 -10.377 66 HD22 ASN 8 2HD2 ASN 8 -16.841 -8.675 -11.129 67 H SER 9 H SER 9 -15.426 -5.136 -11.047 68 HA SER 9 HA SER 9 -12.782 -5.601 -10.509 69 HB2 SER 9 1HB SER 9 -13.888 -3.821 -12.685 70 HB3 SER 9 2HB SER 9 -12.309 -4.606 -12.682 71 HG SER 9 HG SER 9 -13.316 -6.597 -12.796 72 H TRP 10 H TRP 10 -14.493 -2.490 -10.355 73 HA TRP 10 HA TRP 10 -12.253 -0.829 -10.077 74 HB2 TRP 10 1HB TRP 10 -13.733 0.863 -9.358 75 HB3 TRP 10 2HB TRP 10 -14.705 -0.129 -10.435 76 HD1 TRP 10 HD1 TRP 10 -16.791 -1.365 -9.390 77 HE1 TRP 10 HE1 TRP 10 -17.961 -1.249 -7.107 78 HE3 TRP 10 HE3 TRP 10 -13.195 1.171 -6.773 79 HZ2 TRP 10 HZ2 TRP 10 -17.438 -0.210 -4.540 80 HZ3 TRP 10 HZ3 TRP 10 -13.621 1.686 -4.405 81 HH2 TRP 10 HH2 TRP 10 -15.692 1.001 -3.312 82 H LYS 11 H LYS 11 -14.009 -2.876 -7.952 83 HA LYS 11 HA LYS 11 -12.903 -1.804 -5.520 84 HB2 LYS 11 1HB LYS 11 -15.234 -2.977 -6.048 85 HB3 LYS 11 2HB LYS 11 -14.317 -4.423 -5.653 86 HG2 LYS 11 1HG LYS 11 -13.690 -2.630 -3.650 87 HG3 LYS 11 2HG LYS 11 -15.406 -2.401 -3.948 88 HD2 LYS 11 1HD LYS 11 -15.054 -4.089 -2.234 89 HD3 LYS 11 2HD LYS 11 -15.778 -4.805 -3.676 90 HE2 LYS 11 1HE LYS 11 -13.585 -5.631 -4.376 91 HE3 LYS 11 2HE LYS 11 -12.847 -4.877 -2.965 92 HZ1 LYS 11 1HZ LYS 11 -13.223 -7.229 -2.603 93 HZ2 LYS 11 2HZ LYS 11 -14.874 -7.043 -2.905 94 HZ3 LYS 11 3HZ LYS 11 -14.178 -6.315 -1.546 95 H THR 12 H THR 12 -12.440 -4.374 -7.746 96 HA THR 12 HA THR 12 -10.548 -5.871 -6.287 97 HB THR 12 HB THR 12 -10.441 -5.727 -9.271 98 HG1 THR 12 HG1 THR 12 -12.619 -6.591 -7.677 99 HG21 THR 12 1HG2 THR 12 -10.429 -7.970 -7.269 100 HG22 THR 12 2HG2 THR 12 -8.996 -7.241 -8.000 101 HG23 THR 12 3HG2 THR 12 -10.151 -8.125 -9.005 102 H LEU 13 H LEU 13 -10.393 -3.070 -8.407 103 HA LEU 13 HA LEU 13 -7.574 -2.782 -8.456 104 HB2 LEU 13 1HB LEU 13 -9.342 -0.374 -8.225 105 HB3 LEU 13 2HB LEU 13 -7.905 -0.587 -9.206 106 HG LEU 13 HG LEU 13 -10.663 -1.597 -9.724 107 HD11 LEU 13 1HD1 LEU 13 -10.360 0.754 -10.191 108 HD12 LEU 13 2HD1 LEU 13 -10.521 -0.142 -11.700 109 HD13 LEU 13 3HD1 LEU 13 -8.932 0.403 -11.164 110 HD21 LEU 13 1HD2 LEU 13 -8.150 -2.031 -11.352 111 HD22 LEU 13 2HD2 LEU 13 -9.780 -2.482 -11.845 112 HD23 LEU 13 3HD2 LEU 13 -9.029 -3.272 -10.460 113 H TYR 14 H TYR 14 -9.990 -2.362 -6.133 114 HA TYR 14 HA TYR 14 -8.726 -0.174 -4.776 115 HB2 TYR 14 1HB TYR 14 -11.258 -0.603 -5.287 116 HB3 TYR 14 2HB TYR 14 -11.174 -1.518 -3.780 117 HD1 TYR 14 HD1 TYR 14 -10.678 -0.428 -1.698 118 HD2 TYR 14 HD2 TYR 14 -10.967 1.722 -5.347 119 HE1 TYR 14 HE1 TYR 14 -10.742 1.646 -0.418 120 HE2 TYR 14 HE2 TYR 14 -11.057 3.852 -4.078 121 HH TYR 14 HH TYR 14 -10.241 4.078 -0.802 122 H LEU 15 H LEU 15 -9.843 -3.436 -3.999 123 HA LEU 15 HA LEU 15 -8.666 -3.506 -1.435 124 HB2 LEU 15 1HB LEU 15 -9.175 -5.833 -1.460 125 HB3 LEU 15 2HB LEU 15 -10.469 -5.017 -2.318 126 HG LEU 15 HG LEU 15 -8.750 -5.683 -4.354 127 HD11 LEU 15 1HD1 LEU 15 -8.813 -7.980 -2.404 128 HD12 LEU 15 2HD1 LEU 15 -7.390 -7.032 -2.834 129 HD13 LEU 15 3HD1 LEU 15 -8.188 -8.026 -4.052 130 HD21 LEU 15 1HD2 LEU 15 -11.150 -5.864 -4.415 131 HD22 LEU 15 2HD2 LEU 15 -11.109 -7.205 -3.264 132 HD23 LEU 15 3HD2 LEU 15 -10.424 -7.406 -4.877 133 H LYS 16 H LYS 16 -7.507 -3.805 -4.627 134 HA LYS 16 HA LYS 16 -4.961 -4.971 -3.981 135 HB2 LYS 16 1HB LYS 16 -5.890 -5.349 -6.193 136 HB3 LYS 16 2HB LYS 16 -6.059 -3.628 -6.463 137 HG2 LYS 16 1HG LYS 16 -3.366 -4.867 -6.023 138 HG3 LYS 16 2HG LYS 16 -4.133 -4.864 -7.610 139 HD2 LYS 16 1HD LYS 16 -3.740 -2.361 -5.974 140 HD3 LYS 16 2HD LYS 16 -2.533 -2.949 -7.129 141 HE2 LYS 16 1HE LYS 16 -5.395 -2.220 -7.772 142 HE3 LYS 16 2HE LYS 16 -3.979 -1.231 -8.118 143 HZ1 LYS 16 1HZ LYS 16 -4.708 -2.461 -10.063 144 HZ2 LYS 16 2HZ LYS 16 -4.509 -3.926 -9.249 145 HZ3 LYS 16 3HZ LYS 16 -3.165 -2.958 -9.590 146 H ILE 17 H ILE 17 -6.410 -1.852 -4.567 147 HA ILE 17 HA ILE 17 -4.146 -0.258 -4.843 148 HB ILE 17 HB ILE 17 -6.848 0.152 -4.987 149 HG12 ILE 17 1HG1 ILE 17 -6.143 2.591 -5.323 150 HG13 ILE 17 2HG1 ILE 17 -4.519 2.042 -4.902 151 HG21 ILE 17 1HG2 ILE 17 -7.082 0.491 -2.570 152 HG22 ILE 17 2HG2 ILE 17 -7.423 1.977 -3.457 153 HG23 ILE 17 3HG2 ILE 17 -5.879 1.780 -2.629 154 HD11 ILE 17 1HD1 ILE 17 -6.189 0.936 -7.148 155 HD12 ILE 17 2HD1 ILE 17 -4.522 0.505 -6.762 156 HD13 ILE 17 3HD1 ILE 17 -4.903 2.131 -7.333 157 H SER 18 H SER 18 -5.747 -1.512 -2.092 158 HA SER 18 HA SER 18 -4.314 0.210 -0.277 159 HB2 SER 18 1HB SER 18 -6.619 -0.387 0.270 160 HB3 SER 18 2HB SER 18 -6.231 -2.097 0.207 161 HG SER 18 HG SER 18 -5.179 -0.211 2.051 162 H PHE 19 H PHE 19 -4.339 -3.019 -1.478 163 HA PHE 19 HA PHE 19 -2.537 -4.317 0.184 164 HB2 PHE 19 1HB PHE 19 -3.486 -5.846 -1.189 165 HB3 PHE 19 2HB PHE 19 -3.682 -4.674 -2.488 166 HD1 PHE 19 HD1 PHE 19 -2.361 -4.745 -4.340 167 HD2 PHE 19 HD2 PHE 19 -1.111 -6.810 -0.841 168 HE1 PHE 19 HE1 PHE 19 -0.488 -5.685 -5.589 169 HE2 PHE 19 HE2 PHE 19 0.773 -7.777 -2.085 170 HZ PHE 19 HZ PHE 19 1.090 -7.220 -4.468 171 H LEU 20 H LEU 20 -1.748 -2.860 -3.029 172 HA LEU 20 HA LEU 20 1.053 -3.232 -2.507 173 HB2 LEU 20 1HB LEU 20 1.502 -2.347 -4.604 174 HB3 LEU 20 2HB LEU 20 -0.075 -3.072 -4.822 175 HG LEU 20 HG LEU 20 0.374 -0.133 -4.331 176 HD11 LEU 20 1HD1 LEU 20 -0.112 -1.607 -6.915 177 HD12 LEU 20 2HD1 LEU 20 1.370 -0.774 -6.452 178 HD13 LEU 20 3HD1 LEU 20 -0.109 0.144 -6.723 179 HD21 LEU 20 1HD2 LEU 20 -1.798 -0.561 -3.689 180 HD22 LEU 20 2HD2 LEU 20 -2.001 -1.835 -4.907 181 HD23 LEU 20 3HD2 LEU 20 -1.974 -0.136 -5.400 182 H GLY 21 H GLY 21 -1.294 -0.856 -1.898 183 HA2 GLY 21 1HA GLY 21 0.373 1.356 -1.337 184 HA3 GLY 21 2HA GLY 21 -1.267 1.088 -0.755 185 H CYS 22 H CYS 22 0.020 -1.599 0.175 186 HA CYS 22 HA CYS 22 0.672 -0.774 2.880 187 HB2 CYS 22 1HB CYS 22 0.460 -3.499 1.582 188 HB3 CYS 22 2HB CYS 22 0.872 -3.231 3.266 189 HG CYS 22 HG CYS 22 -2.085 -2.170 1.920 190 H LYS 23 H LYS 23 1.998 -2.579 0.213 191 HA LYS 23 HA LYS 23 4.604 -2.962 1.009 192 HB2 LYS 23 1HB LYS 23 3.432 -2.276 -1.651 193 HB3 LYS 23 2HB LYS 23 5.108 -2.768 -1.449 194 HG2 LYS 23 1HG LYS 23 4.364 -4.936 -0.576 195 HG3 LYS 23 2HG LYS 23 2.686 -4.441 -0.803 196 HD2 LYS 23 1HD LYS 23 2.989 -4.298 -3.181 197 HD3 LYS 23 2HD LYS 23 4.722 -4.579 -3.022 198 HE2 LYS 23 1HE LYS 23 2.572 -6.546 -2.251 199 HE3 LYS 23 2HE LYS 23 3.471 -6.581 -3.766 200 HZ1 LYS 23 1HZ LYS 23 4.398 -8.113 -2.148 201 HZ2 LYS 23 2HZ LYS 23 4.651 -6.855 -1.054 202 HZ3 LYS 23 3HZ LYS 23 5.510 -6.893 -2.508 203 H VAL 24 H VAL 24 2.999 -0.257 -0.397 204 HA VAL 24 HA VAL 24 5.415 1.289 -0.567 205 HB VAL 24 HB VAL 24 2.583 2.128 -1.067 206 HG11 VAL 24 1HG1 VAL 24 4.010 4.030 -0.627 207 HG12 VAL 24 2HG1 VAL 24 3.576 3.980 -2.335 208 HG13 VAL 24 3HG1 VAL 24 5.174 3.452 -1.816 209 HG21 VAL 24 1HG2 VAL 24 3.314 0.299 -2.515 210 HG22 VAL 24 2HG2 VAL 24 4.714 1.256 -3.002 211 HG23 VAL 24 3HG2 VAL 24 3.087 1.794 -3.427 212 H VAL 25 H VAL 25 2.794 0.799 1.568 213 HA VAL 25 HA VAL 25 3.232 3.084 3.214 214 HB VAL 25 HB VAL 25 1.818 0.517 3.571 215 HG11 VAL 25 1HG1 VAL 25 3.373 0.411 5.492 216 HG12 VAL 25 2HG1 VAL 25 1.702 0.656 6.000 217 HG13 VAL 25 3HG1 VAL 25 2.830 2.012 5.994 218 HG21 VAL 25 1HG2 VAL 25 0.676 2.549 3.035 219 HG22 VAL 25 2HG2 VAL 25 1.387 3.349 4.443 220 HG23 VAL 25 3HG2 VAL 25 0.222 2.041 4.663 221 H ALA 26 H ALA 26 4.697 -0.033 2.851 222 HA ALA 26 HA ALA 26 6.325 0.050 5.121 223 HB1 ALA 26 1HB ALA 26 7.638 -1.702 4.047 224 HB2 ALA 26 2HB ALA 26 6.838 -1.367 2.512 225 HB3 ALA 26 3HB ALA 26 5.910 -2.008 3.869 226 H LEU 27 H LEU 27 6.649 1.560 1.952 227 HA LEU 27 HA LEU 27 9.323 2.411 2.728 228 HB2 LEU 27 1HB LEU 27 9.567 3.368 0.538 229 HB3 LEU 27 2HB LEU 27 9.011 1.713 0.436 230 HG LEU 27 HG LEU 27 6.648 2.837 0.183 231 HD11 LEU 27 1HD1 LEU 27 7.383 5.124 0.583 232 HD12 LEU 27 2HD1 LEU 27 6.759 4.945 -1.057 233 HD13 LEU 27 3HD1 LEU 27 8.499 5.017 -0.778 234 HD21 LEU 27 1HD2 LEU 27 7.667 1.417 -1.478 235 HD22 LEU 27 2HD2 LEU 27 8.736 2.723 -1.987 236 HD23 LEU 27 3HD2 LEU 27 7.000 2.846 -2.264 237 H LEU 28 H LEU 28 6.117 3.640 2.611 238 HA LEU 28 HA LEU 28 6.894 6.413 2.817 239 HB2 LEU 28 1HB LEU 28 4.986 6.210 1.584 240 HB3 LEU 28 2HB LEU 28 4.385 4.863 2.527 241 HG LEU 28 HG LEU 28 4.319 7.054 4.262 242 HD11 LEU 28 1HD1 LEU 28 4.598 8.555 2.367 243 HD12 LEU 28 2HD1 LEU 28 2.969 8.682 3.031 244 HD13 LEU 28 3HD1 LEU 28 3.247 7.780 1.540 245 HD21 LEU 28 1HD2 LEU 28 2.794 5.136 4.135 246 HD22 LEU 28 2HD2 LEU 28 2.116 5.791 2.641 247 HD23 LEU 28 3HD2 LEU 28 1.930 6.677 4.155 248 H LYS 29 H LYS 29 4.727 4.458 4.904 249 HA LYS 29 HA LYS 29 5.351 6.162 7.166 250 HB2 LYS 29 1HB LYS 29 3.506 3.803 6.821 251 HB3 LYS 29 2HB LYS 29 3.788 4.559 8.382 252 HG2 LYS 29 1HG LYS 29 2.851 6.624 7.620 253 HG3 LYS 29 2HG LYS 29 2.725 6.008 5.972 254 HD2 LYS 29 1HD LYS 29 0.560 5.932 7.067 255 HD3 LYS 29 2HD LYS 29 1.140 4.299 6.750 256 HE2 LYS 29 1HE LYS 29 1.952 4.198 9.101 257 HE3 LYS 29 2HE LYS 29 1.201 5.768 9.383 258 HZ1 LYS 29 1HZ LYS 29 -0.233 3.978 10.109 259 HZ2 LYS 29 2HZ LYS 29 -0.208 3.285 8.569 260 HZ3 LYS 29 3HZ LYS 29 -0.941 4.789 8.806 261 H ARG 30 H ARG 30 5.938 3.010 5.970 262 HA ARG 30 HA ARG 30 7.442 1.413 6.420 263 HB2 ARG 30 1HB ARG 30 8.789 3.474 8.178 264 HB3 ARG 30 2HB ARG 30 9.512 1.975 7.605 265 HG2 ARG 30 1HG ARG 30 9.240 2.776 5.287 266 HG3 ARG 30 2HG ARG 30 8.634 4.306 5.919 267 HD2 ARG 30 1HD ARG 30 10.761 4.653 7.084 268 HD3 ARG 30 2HD ARG 30 11.362 3.131 6.424 269 HE ARG 30 HE ARG 30 10.439 5.031 4.451 270 HH11 ARG 30 1HH1 ARG 30 13.173 3.846 6.287 271 HH12 ARG 30 2HH1 ARG 30 14.348 4.485 5.183 272 HH21 ARG 30 1HH2 ARG 30 11.989 5.871 3.003 273 HH22 ARG 30 2HH2 ARG 30 13.678 5.633 3.321 Start of MODEL 8 1 H1 MET 1 1H MET 1 -16.444 -15.662 -19.908 2 H2 MET 1 2H MET 1 -17.765 -16.365 -19.126 3 H3 MET 1 3H MET 1 -16.989 -17.189 -20.380 4 HA MET 1 HA MET 1 -16.400 -18.086 -18.216 5 HB2 MET 1 1HB MET 1 -14.806 -18.254 -20.063 6 HB3 MET 1 2HB MET 1 -14.169 -16.660 -19.684 7 HG2 MET 1 1HG MET 1 -12.707 -18.433 -18.887 8 HG3 MET 1 2HG MET 1 -13.340 -17.468 -17.556 9 HE1 MET 1 1HE MET 1 -13.059 -21.004 -15.930 10 HE2 MET 1 2HE MET 1 -12.637 -19.297 -15.798 11 HE3 MET 1 3HE MET 1 -11.951 -20.276 -17.094 12 H ALA 2 H ALA 2 -16.969 -17.279 -16.285 13 HA ALA 2 HA ALA 2 -16.918 -16.093 -14.351 14 HB1 ALA 2 1HB ALA 2 -14.721 -15.466 -13.512 15 HB2 ALA 2 2HB ALA 2 -14.038 -15.635 -15.130 16 HB3 ALA 2 3HB ALA 2 -14.664 -17.052 -14.286 17 H THR 3 H THR 3 -18.192 -14.637 -16.101 18 HA THR 3 HA THR 3 -16.984 -12.162 -16.791 19 HB THR 3 HB THR 3 -18.892 -13.147 -18.048 20 HG1 THR 3 HG1 THR 3 -18.407 -10.876 -18.167 21 HG21 THR 3 1HG2 THR 3 -21.174 -12.841 -17.191 22 HG22 THR 3 2HG2 THR 3 -20.518 -12.258 -15.661 23 HG23 THR 3 3HG2 THR 3 -20.239 -13.925 -16.162 24 H LYS 4 H LYS 4 -17.302 -10.125 -15.950 25 HA LYS 4 HA LYS 4 -17.980 -10.009 -13.123 26 HB2 LYS 4 1HB LYS 4 -16.964 -7.830 -14.961 27 HB3 LYS 4 2HB LYS 4 -17.066 -7.750 -13.208 28 HG2 LYS 4 1HG LYS 4 -15.368 -9.409 -12.964 29 HG3 LYS 4 2HG LYS 4 -15.360 -9.722 -14.700 30 HD2 LYS 4 1HD LYS 4 -14.612 -7.411 -15.091 31 HD3 LYS 4 2HD LYS 4 -14.572 -7.148 -13.348 32 HE2 LYS 4 1HE LYS 4 -12.343 -7.624 -14.182 33 HE3 LYS 4 2HE LYS 4 -12.893 -8.924 -13.127 34 HZ1 LYS 4 1HZ LYS 4 -11.813 -9.784 -15.101 35 HZ2 LYS 4 2HZ LYS 4 -12.915 -8.980 -16.095 36 HZ3 LYS 4 3HZ LYS 4 -13.442 -10.227 -15.087 37 H HIS 5 H HIS 5 -20.182 -10.158 -13.035 38 HA HIS 5 HA HIS 5 -21.793 -8.480 -14.791 39 HB2 HIS 5 1HB HIS 5 -22.382 -10.888 -14.406 40 HB3 HIS 5 2HB HIS 5 -22.729 -10.487 -12.728 41 HD1 HIS 5 HD1 HIS 5 -25.068 -9.789 -12.239 42 HD2 HIS 5 HD2 HIS 5 -24.130 -9.427 -16.270 43 HE1 HIS 5 HE1 HIS 5 -27.215 -9.139 -13.378 44 HE2 HIS 5 HE2 HIS 5 -26.619 -8.906 -15.815 45 H GLY 6 H GLY 6 -20.777 -6.615 -13.618 46 HA2 GLY 6 1HA GLY 6 -22.416 -5.018 -12.318 47 HA3 GLY 6 2HA GLY 6 -21.956 -6.084 -10.999 48 H LYS 7 H LYS 7 -21.383 -3.594 -10.529 49 HA LYS 7 HA LYS 7 -18.763 -2.897 -11.537 50 HB2 LYS 7 1HB LYS 7 -19.027 -0.915 -10.000 51 HB3 LYS 7 2HB LYS 7 -20.209 -1.045 -11.291 52 HG2 LYS 7 1HG LYS 7 -21.832 -1.959 -9.698 53 HG3 LYS 7 2HG LYS 7 -20.640 -1.800 -8.407 54 HD2 LYS 7 1HD LYS 7 -20.560 0.617 -8.787 55 HD3 LYS 7 2HD LYS 7 -21.759 0.454 -10.068 56 HE2 LYS 7 1HE LYS 7 -23.385 -0.370 -8.466 57 HE3 LYS 7 2HE LYS 7 -22.184 -0.288 -7.179 58 HZ1 LYS 7 1HZ LYS 7 -23.157 2.040 -8.735 59 HZ2 LYS 7 2HZ LYS 7 -22.088 2.087 -7.428 60 HZ3 LYS 7 3HZ LYS 7 -23.696 1.618 -7.188 61 H ASN 8 H ASN 8 -17.556 -4.647 -10.725 62 HA ASN 8 HA ASN 8 -16.981 -4.405 -7.847 63 HB2 ASN 8 1HB ASN 8 -16.233 -6.711 -7.853 64 HB3 ASN 8 2HB ASN 8 -17.870 -6.618 -8.486 65 HD21 ASN 8 1HD2 ASN 8 -15.824 -8.671 -8.838 66 HD22 ASN 8 2HD2 ASN 8 -15.574 -8.813 -10.543 67 H SER 9 H SER 9 -15.706 -4.345 -11.051 68 HA SER 9 HA SER 9 -13.040 -4.639 -10.790 69 HB2 SER 9 1HB SER 9 -14.344 -2.459 -12.416 70 HB3 SER 9 2HB SER 9 -12.800 -3.247 -12.738 71 HG SER 9 HG SER 9 -14.634 -4.052 -13.975 72 H TRP 10 H TRP 10 -14.826 -1.641 -10.008 73 HA TRP 10 HA TRP 10 -12.619 -0.006 -9.525 74 HB2 TRP 10 1HB TRP 10 -14.105 1.503 -8.482 75 HB3 TRP 10 2HB TRP 10 -15.112 0.658 -9.651 76 HD1 TRP 10 HD1 TRP 10 -17.098 -0.808 -8.710 77 HE1 TRP 10 HE1 TRP 10 -18.134 -1.094 -6.373 78 HE3 TRP 10 HE3 TRP 10 -13.423 1.409 -5.939 79 HZ2 TRP 10 HZ2 TRP 10 -17.473 -0.464 -3.703 80 HZ3 TRP 10 HZ3 TRP 10 -13.704 1.524 -3.493 81 HH2 TRP 10 HH2 TRP 10 -15.682 0.597 -2.403 82 H LYS 11 H LYS 11 -14.184 -2.459 -7.701 83 HA LYS 11 HA LYS 11 -13.023 -1.738 -5.164 84 HB2 LYS 11 1HB LYS 11 -15.319 -2.937 -5.800 85 HB3 LYS 11 2HB LYS 11 -14.316 -4.373 -5.663 86 HG2 LYS 11 1HG LYS 11 -13.680 -2.928 -3.422 87 HG3 LYS 11 2HG LYS 11 -15.402 -2.648 -3.635 88 HD2 LYS 11 1HD LYS 11 -15.019 -4.586 -2.217 89 HD3 LYS 11 2HD LYS 11 -15.792 -5.060 -3.730 90 HE2 LYS 11 1HE LYS 11 -13.570 -5.721 -4.610 91 HE3 LYS 11 2HE LYS 11 -12.865 -5.312 -3.048 92 HZ1 LYS 11 1HZ LYS 11 -13.302 -7.688 -3.269 93 HZ2 LYS 11 2HZ LYS 11 -14.948 -7.379 -3.490 94 HZ3 LYS 11 3HZ LYS 11 -14.211 -7.013 -2.013 95 H THR 12 H THR 12 -12.546 -3.884 -7.795 96 HA THR 12 HA THR 12 -10.539 -5.505 -6.614 97 HB THR 12 HB THR 12 -10.703 -5.049 -9.565 98 HG1 THR 12 HG1 THR 12 -12.686 -6.115 -7.862 99 HG21 THR 12 1HG2 THR 12 -10.280 -7.435 -9.592 100 HG22 THR 12 2HG2 THR 12 -10.414 -7.490 -7.834 101 HG23 THR 12 3HG2 THR 12 -9.078 -6.614 -8.588 102 H LEU 13 H LEU 13 -10.602 -2.460 -8.352 103 HA LEU 13 HA LEU 13 -7.781 -2.107 -8.558 104 HB2 LEU 13 1HB LEU 13 -9.543 0.226 -7.917 105 HB3 LEU 13 2HB LEU 13 -8.213 0.135 -9.052 106 HG LEU 13 HG LEU 13 -11.016 -0.849 -9.423 107 HD11 LEU 13 1HD1 LEU 13 -9.453 1.371 -10.735 108 HD12 LEU 13 2HD1 LEU 13 -10.786 1.553 -9.593 109 HD13 LEU 13 3HD1 LEU 13 -11.080 0.862 -11.190 110 HD21 LEU 13 1HD2 LEU 13 -8.691 -0.982 -11.360 111 HD22 LEU 13 2HD2 LEU 13 -10.356 -1.442 -11.710 112 HD23 LEU 13 3HD2 LEU 13 -9.416 -2.363 -10.537 113 H TYR 14 H TYR 14 -10.062 -2.055 -6.067 114 HA TYR 14 HA TYR 14 -8.794 -0.005 -4.506 115 HB2 TYR 14 1HB TYR 14 -11.330 -0.450 -4.990 116 HB3 TYR 14 2HB TYR 14 -11.167 -1.557 -3.630 117 HD1 TYR 14 HD1 TYR 14 -10.856 -0.766 -1.419 118 HD2 TYR 14 HD2 TYR 14 -10.973 1.901 -4.721 119 HE1 TYR 14 HE1 TYR 14 -11.022 1.106 0.143 120 HE2 TYR 14 HE2 TYR 14 -11.156 3.815 -3.170 121 HH TYR 14 HH TYR 14 -11.934 4.218 -0.823 122 H LEU 15 H LEU 15 -9.860 -3.345 -4.045 123 HA LEU 15 HA LEU 15 -8.595 -3.724 -1.567 124 HB2 LEU 15 1HB LEU 15 -8.998 -6.063 -1.911 125 HB3 LEU 15 2HB LEU 15 -10.358 -5.186 -2.589 126 HG LEU 15 HG LEU 15 -8.732 -5.463 -4.773 127 HD11 LEU 15 1HD1 LEU 15 -7.193 -6.927 -3.585 128 HD12 LEU 15 2HD1 LEU 15 -8.043 -7.798 -4.859 129 HD13 LEU 15 3HD1 LEU 15 -8.523 -8.010 -3.176 130 HD21 LEU 15 1HD2 LEU 15 -11.105 -5.783 -4.764 131 HD22 LEU 15 2HD2 LEU 15 -10.945 -7.251 -3.793 132 HD23 LEU 15 3HD2 LEU 15 -10.332 -7.216 -5.448 133 H LYS 16 H LYS 16 -7.491 -3.605 -4.797 134 HA LYS 16 HA LYS 16 -4.926 -4.816 -4.360 135 HB2 LYS 16 1HB LYS 16 -5.964 -4.873 -6.593 136 HB3 LYS 16 2HB LYS 16 -6.026 -3.124 -6.618 137 HG2 LYS 16 1HG LYS 16 -3.402 -4.533 -6.363 138 HG3 LYS 16 2HG LYS 16 -4.171 -4.324 -7.936 139 HD2 LYS 16 1HD LYS 16 -3.696 -2.035 -6.033 140 HD3 LYS 16 2HD LYS 16 -2.498 -2.538 -7.240 141 HE2 LYS 16 1HE LYS 16 -5.335 -1.702 -7.852 142 HE3 LYS 16 2HE LYS 16 -3.923 -0.659 -8.000 143 HZ1 LYS 16 1HZ LYS 16 -4.504 -1.578 -10.130 144 HZ2 LYS 16 2HZ LYS 16 -4.422 -3.156 -9.528 145 HZ3 LYS 16 3HZ LYS 16 -3.020 -2.218 -9.633 146 H ILE 17 H ILE 17 -6.353 -1.645 -4.727 147 HA ILE 17 HA ILE 17 -4.124 -0.018 -4.793 148 HB ILE 17 HB ILE 17 -6.845 0.340 -4.872 149 HG12 ILE 17 1HG1 ILE 17 -6.175 2.836 -4.995 150 HG13 ILE 17 2HG1 ILE 17 -4.532 2.239 -4.752 151 HG21 ILE 17 1HG2 ILE 17 -7.081 0.509 -2.460 152 HG22 ILE 17 2HG2 ILE 17 -7.403 2.071 -3.215 153 HG23 ILE 17 3HG2 ILE 17 -5.863 1.784 -2.406 154 HD11 ILE 17 1HD1 ILE 17 -4.698 0.882 -6.742 155 HD12 ILE 17 2HD1 ILE 17 -5.097 2.558 -7.130 156 HD13 ILE 17 3HD1 ILE 17 -6.382 1.356 -6.957 157 H SER 18 H SER 18 -5.766 -1.454 -2.124 158 HA SER 18 HA SER 18 -4.335 0.173 -0.215 159 HB2 SER 18 1HB SER 18 -6.710 -0.460 0.189 160 HB3 SER 18 2HB SER 18 -6.230 -2.154 0.256 161 HG SER 18 HG SER 18 -6.431 -1.108 2.330 162 H PHE 19 H PHE 19 -4.410 -3.038 -1.511 163 HA PHE 19 HA PHE 19 -2.688 -4.414 0.154 164 HB2 PHE 19 1HB PHE 19 -3.613 -5.861 -1.331 165 HB3 PHE 19 2HB PHE 19 -3.680 -4.645 -2.606 166 HD1 PHE 19 HD1 PHE 19 -2.291 -4.808 -4.394 167 HD2 PHE 19 HD2 PHE 19 -1.212 -6.788 -0.789 168 HE1 PHE 19 HE1 PHE 19 -0.340 -5.752 -5.517 169 HE2 PHE 19 HE2 PHE 19 0.745 -7.762 -1.905 170 HZ PHE 19 HZ PHE 19 1.190 -7.251 -4.280 171 H LEU 20 H LEU 20 -1.748 -2.883 -2.978 172 HA LEU 20 HA LEU 20 1.013 -3.311 -2.283 173 HB2 LEU 20 1HB LEU 20 1.615 -2.516 -4.367 174 HB3 LEU 20 2HB LEU 20 0.034 -3.203 -4.667 175 HG LEU 20 HG LEU 20 0.566 -0.263 -4.262 176 HD11 LEU 20 1HD1 LEU 20 1.623 -1.075 -6.299 177 HD12 LEU 20 2HD1 LEU 20 0.222 -0.074 -6.675 178 HD13 LEU 20 3HD1 LEU 20 0.110 -1.827 -6.797 179 HD21 LEU 20 1HD2 LEU 20 -1.653 -0.589 -3.689 180 HD22 LEU 20 2HD2 LEU 20 -1.861 -1.887 -4.878 181 HD23 LEU 20 3HD2 LEU 20 -1.739 -0.206 -5.415 182 H GLY 21 H GLY 21 -1.322 -0.887 -1.862 183 HA2 GLY 21 1HA GLY 21 0.346 1.313 -1.278 184 HA3 GLY 21 2HA GLY 21 -1.314 1.075 -0.746 185 H CYS 22 H CYS 22 -0.127 -1.596 0.299 186 HA CYS 22 HA CYS 22 0.491 -0.738 2.998 187 HB2 CYS 22 1HB CYS 22 0.254 -3.463 1.706 188 HB3 CYS 22 2HB CYS 22 0.669 -3.210 3.390 189 HG CYS 22 HG CYS 22 -2.238 -1.938 2.163 190 H LYS 23 H LYS 23 1.835 -2.645 0.415 191 HA LYS 23 HA LYS 23 4.423 -3.031 1.266 192 HB2 LYS 23 1HB LYS 23 3.405 -2.376 -1.470 193 HB3 LYS 23 2HB LYS 23 4.972 -3.092 -1.128 194 HG2 LYS 23 1HG LYS 23 3.923 -5.100 -0.292 195 HG3 LYS 23 2HG LYS 23 2.328 -4.371 -0.459 196 HD2 LYS 23 1HD LYS 23 2.695 -5.869 -2.299 197 HD3 LYS 23 2HD LYS 23 2.708 -4.213 -2.902 198 HE2 LYS 23 1HE LYS 23 4.480 -5.501 -3.929 199 HE3 LYS 23 2HE LYS 23 5.155 -4.242 -2.900 200 HZ1 LYS 23 1HZ LYS 23 6.269 -6.418 -2.677 201 HZ2 LYS 23 2HZ LYS 23 4.834 -7.071 -2.069 202 HZ3 LYS 23 3HZ LYS 23 5.632 -5.849 -1.217 203 H VAL 24 H VAL 24 2.911 -0.402 -0.352 204 HA VAL 24 HA VAL 24 5.314 1.144 -0.544 205 HB VAL 24 HB VAL 24 2.468 1.944 -1.035 206 HG11 VAL 24 1HG1 VAL 24 3.885 3.873 -0.628 207 HG12 VAL 24 2HG1 VAL 24 3.387 3.803 -2.319 208 HG13 VAL 24 3HG1 VAL 24 5.014 3.306 -1.856 209 HG21 VAL 24 1HG2 VAL 24 4.598 1.116 -2.986 210 HG22 VAL 24 2HG2 VAL 24 2.933 1.554 -3.378 211 HG23 VAL 24 3HG2 VAL 24 3.270 0.092 -2.438 212 H VAL 25 H VAL 25 2.713 0.740 1.640 213 HA VAL 25 HA VAL 25 3.087 3.063 3.205 214 HB VAL 25 HB VAL 25 1.786 0.472 3.609 215 HG11 VAL 25 1HG1 VAL 25 3.406 0.253 5.432 216 HG12 VAL 25 2HG1 VAL 25 1.781 0.536 6.057 217 HG13 VAL 25 3HG1 VAL 25 2.957 1.852 6.026 218 HG21 VAL 25 1HG2 VAL 25 1.356 3.261 4.613 219 HG22 VAL 25 2HG2 VAL 25 0.231 1.922 4.862 220 HG23 VAL 25 3HG2 VAL 25 0.576 2.493 3.227 221 H ALA 26 H ALA 26 4.747 0.017 2.953 222 HA ALA 26 HA ALA 26 6.417 0.310 5.184 223 HB1 ALA 26 1HB ALA 26 7.821 -1.393 4.175 224 HB2 ALA 26 2HB ALA 26 6.994 -1.180 2.633 225 HB3 ALA 26 3HB ALA 26 6.118 -1.823 4.021 226 H LEU 27 H LEU 27 6.613 1.631 1.914 227 HA LEU 27 HA LEU 27 9.269 2.627 2.557 228 HB2 LEU 27 1HB LEU 27 9.412 3.449 0.311 229 HB3 LEU 27 2HB LEU 27 8.903 1.778 0.324 230 HG LEU 27 HG LEU 27 6.509 2.761 0.037 231 HD11 LEU 27 1HD1 LEU 27 8.186 5.042 -1.005 232 HD12 LEU 27 2HD1 LEU 27 7.127 5.102 0.404 233 HD13 LEU 27 3HD1 LEU 27 6.444 4.855 -1.204 234 HD21 LEU 27 1HD2 LEU 27 7.646 1.396 -1.611 235 HD22 LEU 27 2HD2 LEU 27 8.570 2.791 -2.164 236 HD23 LEU 27 3HD2 LEU 27 6.825 2.740 -2.403 237 H LEU 28 H LEU 28 6.019 3.700 2.576 238 HA LEU 28 HA LEU 28 6.673 6.515 2.563 239 HB2 LEU 28 1HB LEU 28 4.693 6.115 1.482 240 HB3 LEU 28 2HB LEU 28 4.228 4.831 2.576 241 HG LEU 28 HG LEU 28 4.146 7.069 4.180 242 HD11 LEU 28 1HD1 LEU 28 4.421 8.529 2.245 243 HD12 LEU 28 2HD1 LEU 28 2.819 8.705 2.961 244 HD13 LEU 28 3HD1 LEU 28 3.024 7.778 1.475 245 HD21 LEU 28 1HD2 LEU 28 1.737 6.730 4.067 246 HD22 LEU 28 2HD2 LEU 28 2.603 5.192 4.143 247 HD23 LEU 28 3HD2 LEU 28 1.938 5.758 2.609 248 H LYS 29 H LYS 29 4.672 4.654 4.867 249 HA LYS 29 HA LYS 29 5.506 6.423 7.017 250 HB2 LYS 29 1HB LYS 29 3.452 4.229 6.842 251 HB3 LYS 29 2HB LYS 29 3.873 5.003 8.365 252 HG2 LYS 29 1HG LYS 29 3.174 7.153 7.492 253 HG3 LYS 29 2HG LYS 29 2.801 6.412 5.934 254 HD2 LYS 29 1HD LYS 29 1.034 5.121 6.890 255 HD3 LYS 29 2HD LYS 29 1.509 5.580 8.525 256 HE2 LYS 29 1HE LYS 29 -0.470 6.814 7.780 257 HE3 LYS 29 2HE LYS 29 0.894 7.890 8.075 258 HZ1 LYS 29 1HZ LYS 29 -0.306 8.436 6.037 259 HZ2 LYS 29 2HZ LYS 29 0.047 6.911 5.406 260 HZ3 LYS 29 3HZ LYS 29 1.295 8.006 5.715 261 H ARG 30 H ARG 30 5.981 3.279 5.838 262 HA ARG 30 HA ARG 30 7.479 1.664 6.274 263 HB2 ARG 30 1HB ARG 30 8.580 3.470 8.436 264 HB3 ARG 30 2HB ARG 30 9.347 2.014 7.821 265 HG2 ARG 30 1HG ARG 30 9.622 3.053 5.644 266 HG3 ARG 30 2HG ARG 30 8.790 4.501 6.218 267 HD2 ARG 30 1HD ARG 30 10.553 4.751 7.949 268 HD3 ARG 30 2HD ARG 30 11.407 3.393 7.218 269 HE ARG 30 HE ARG 30 11.051 5.110 5.150 270 HH11 ARG 30 1HH1 ARG 30 12.422 5.419 8.347 271 HH12 ARG 30 2HH1 ARG 30 13.531 6.669 7.899 272 HH21 ARG 30 1HH2 ARG 30 12.506 6.758 4.538 273 HH22 ARG 30 2HH2 ARG 30 13.589 7.427 5.717 Start of MODEL 9 1 H1 MET 1 1H MET 1 -11.576 -4.894 -21.354 2 H2 MET 1 2H MET 1 -10.898 -3.850 -20.212 3 H3 MET 1 3H MET 1 -9.939 -5.031 -20.949 4 HA MET 1 HA MET 1 -9.517 -2.833 -21.857 5 HB2 MET 1 1HB MET 1 -10.883 -4.760 -23.748 6 HB3 MET 1 2HB MET 1 -9.890 -3.406 -24.256 7 HG2 MET 1 1HG MET 1 -8.552 -5.344 -24.398 8 HG3 MET 1 2HG MET 1 -7.992 -4.434 -22.997 9 HE1 MET 1 1HE MET 1 -11.181 -6.756 -23.361 10 HE2 MET 1 2HE MET 1 -10.525 -8.288 -22.787 11 HE3 MET 1 3HE MET 1 -9.920 -7.576 -24.283 12 H ALA 2 H ALA 2 -10.417 -1.332 -23.626 13 HA ALA 2 HA ALA 2 -11.875 0.319 -24.167 14 HB1 ALA 2 1HB ALA 2 -14.175 -0.324 -24.649 15 HB2 ALA 2 2HB ALA 2 -13.949 -1.837 -23.771 16 HB3 ALA 2 3HB ALA 2 -13.047 -1.536 -25.256 17 H THR 3 H THR 3 -11.049 0.256 -21.517 18 HA THR 3 HA THR 3 -11.468 1.017 -19.428 19 HB THR 3 HB THR 3 -12.892 3.012 -19.255 20 HG1 THR 3 HG1 THR 3 -14.073 1.949 -21.430 21 HG21 THR 3 1HG2 THR 3 -11.167 2.959 -21.734 22 HG22 THR 3 2HG2 THR 3 -10.610 3.250 -20.087 23 HG23 THR 3 3HG2 THR 3 -11.680 4.410 -20.872 24 H LYS 4 H LYS 4 -12.588 -1.361 -19.642 25 HA LYS 4 HA LYS 4 -15.402 -1.401 -19.181 26 HB2 LYS 4 1HB LYS 4 -14.159 -3.288 -20.213 27 HB3 LYS 4 2HB LYS 4 -13.361 -3.573 -18.672 28 HG2 LYS 4 1HG LYS 4 -15.529 -4.059 -17.644 29 HG3 LYS 4 2HG LYS 4 -16.319 -3.793 -19.198 30 HD2 LYS 4 1HD LYS 4 -14.988 -5.625 -20.164 31 HD3 LYS 4 2HD LYS 4 -14.260 -5.909 -18.583 32 HE2 LYS 4 1HE LYS 4 -17.200 -6.112 -19.223 33 HE3 LYS 4 2HE LYS 4 -16.094 -7.473 -19.065 34 HZ1 LYS 4 1HZ LYS 4 -17.349 -7.135 -17.041 35 HZ2 LYS 4 2HZ LYS 4 -16.790 -5.545 -16.920 36 HZ3 LYS 4 3HZ LYS 4 -15.708 -6.832 -16.762 37 H HIS 5 H HIS 5 -15.944 -0.205 -17.425 38 HA HIS 5 HA HIS 5 -14.662 -0.729 -14.868 39 HB2 HIS 5 1HB HIS 5 -16.928 1.145 -15.584 40 HB3 HIS 5 2HB HIS 5 -16.158 1.041 -14.007 41 HD1 HIS 5 HD1 HIS 5 -16.164 3.148 -16.783 42 HD2 HIS 5 HD2 HIS 5 -13.121 1.483 -14.494 43 HE1 HIS 5 HE1 HIS 5 -14.161 4.615 -17.156 44 HE2 HIS 5 HE2 HIS 5 -12.395 3.699 -15.615 45 H GLY 6 H GLY 6 -15.259 -2.783 -14.290 46 HA2 GLY 6 1HA GLY 6 -17.966 -3.702 -14.384 47 HA3 GLY 6 2HA GLY 6 -16.633 -4.481 -13.542 48 H LYS 7 H LYS 7 -19.173 -4.400 -12.439 49 HA LYS 7 HA LYS 7 -19.311 -2.159 -10.622 50 HB2 LYS 7 1HB LYS 7 -21.316 -3.281 -11.735 51 HB3 LYS 7 2HB LYS 7 -21.071 -4.603 -10.607 52 HG2 LYS 7 1HG LYS 7 -22.804 -3.140 -9.798 53 HG3 LYS 7 2HG LYS 7 -21.398 -3.046 -8.734 54 HD2 LYS 7 1HD LYS 7 -20.706 -0.972 -9.801 55 HD3 LYS 7 2HD LYS 7 -22.062 -1.077 -10.924 56 HE2 LYS 7 1HE LYS 7 -22.567 0.487 -9.150 57 HE3 LYS 7 2HE LYS 7 -23.619 -0.921 -9.034 58 HZ1 LYS 7 1HZ LYS 7 -22.739 -0.202 -6.879 59 HZ2 LYS 7 2HZ LYS 7 -21.166 -0.509 -7.414 60 HZ3 LYS 7 3HZ LYS 7 -22.269 -1.778 -7.259 61 H ASN 8 H ASN 8 -17.539 -4.770 -10.711 62 HA ASN 8 HA ASN 8 -17.208 -4.831 -7.796 63 HB2 ASN 8 1HB ASN 8 -16.595 -7.223 -7.908 64 HB3 ASN 8 2HB ASN 8 -18.264 -6.943 -8.392 65 HD21 ASN 8 1HD2 ASN 8 -16.533 -9.183 -8.984 66 HD22 ASN 8 2HD2 ASN 8 -16.440 -9.290 -10.708 67 H SER 9 H SER 9 -15.782 -5.147 -10.976 68 HA SER 9 HA SER 9 -13.145 -5.286 -10.620 69 HB2 SER 9 1HB SER 9 -14.084 -4.943 -12.804 70 HB3 SER 9 2HB SER 9 -14.669 -3.343 -12.359 71 HG SER 9 HG SER 9 -11.920 -4.027 -12.331 72 H TRP 10 H TRP 10 -15.076 -2.371 -9.909 73 HA TRP 10 HA TRP 10 -12.976 -0.599 -9.463 74 HB2 TRP 10 1HB TRP 10 -14.555 0.833 -8.456 75 HB3 TRP 10 2HB TRP 10 -15.504 -0.102 -9.604 76 HD1 TRP 10 HD1 TRP 10 -17.411 -1.646 -8.623 77 HE1 TRP 10 HE1 TRP 10 -18.422 -1.929 -6.270 78 HE3 TRP 10 HE3 TRP 10 -13.851 0.830 -5.921 79 HZ2 TRP 10 HZ2 TRP 10 -17.794 -1.190 -3.619 80 HZ3 TRP 10 HZ3 TRP 10 -14.134 1.000 -3.476 81 HH2 TRP 10 HH2 TRP 10 -16.061 0.003 -2.352 82 H LYS 11 H LYS 11 -14.379 -3.099 -7.570 83 HA LYS 11 HA LYS 11 -13.254 -2.244 -5.058 84 HB2 LYS 11 1HB LYS 11 -15.479 -3.590 -5.665 85 HB3 LYS 11 2HB LYS 11 -14.394 -4.961 -5.483 86 HG2 LYS 11 1HG LYS 11 -13.888 -3.348 -3.287 87 HG3 LYS 11 2HG LYS 11 -15.633 -3.314 -3.509 88 HD2 LYS 11 1HD LYS 11 -14.962 -5.131 -2.021 89 HD3 LYS 11 2HD LYS 11 -15.702 -5.748 -3.500 90 HE2 LYS 11 1HE LYS 11 -13.509 -6.253 -4.415 91 HE3 LYS 11 2HE LYS 11 -12.735 -5.551 -2.997 92 HZ1 LYS 11 1HZ LYS 11 -14.506 -7.935 -2.982 93 HZ2 LYS 11 2HZ LYS 11 -13.735 -7.270 -1.633 94 HZ3 LYS 11 3HZ LYS 11 -12.818 -7.965 -2.870 95 H THR 12 H THR 12 -12.696 -4.458 -7.624 96 HA THR 12 HA THR 12 -10.612 -5.949 -6.432 97 HB THR 12 HB THR 12 -10.825 -5.495 -9.389 98 HG1 THR 12 HG1 THR 12 -12.696 -6.679 -7.652 99 HG21 THR 12 1HG2 THR 12 -10.290 -7.908 -7.676 100 HG22 THR 12 2HG2 THR 12 -9.053 -6.926 -8.469 101 HG23 THR 12 3HG2 THR 12 -10.215 -7.845 -9.439 102 H LEU 13 H LEU 13 -10.808 -2.963 -8.281 103 HA LEU 13 HA LEU 13 -8.023 -2.450 -8.493 104 HB2 LEU 13 1HB LEU 13 -9.902 -0.196 -7.921 105 HB3 LEU 13 2HB LEU 13 -8.571 -0.257 -9.057 106 HG LEU 13 HG LEU 13 -11.328 -1.373 -9.380 107 HD11 LEU 13 1HD1 LEU 13 -9.832 0.806 -10.827 108 HD12 LEU 13 2HD1 LEU 13 -11.153 1.024 -9.684 109 HD13 LEU 13 3HD1 LEU 13 -11.449 0.232 -11.231 110 HD21 LEU 13 1HD2 LEU 13 -9.724 -2.912 -10.407 111 HD22 LEU 13 2HD2 LEU 13 -8.956 -1.570 -11.254 112 HD23 LEU 13 3HD2 LEU 13 -10.609 -2.035 -11.655 113 H TYR 14 H TYR 14 -10.296 -2.411 -5.993 114 HA TYR 14 HA TYR 14 -9.113 -0.246 -4.525 115 HB2 TYR 14 1HB TYR 14 -11.627 -0.806 -4.966 116 HB3 TYR 14 2HB TYR 14 -11.416 -1.860 -3.572 117 HD1 TYR 14 HD1 TYR 14 -11.101 -0.976 -1.389 118 HD2 TYR 14 HD2 TYR 14 -11.373 1.559 -4.786 119 HE1 TYR 14 HE1 TYR 14 -11.313 0.950 0.102 120 HE2 TYR 14 HE2 TYR 14 -11.606 3.521 -3.303 121 HH TYR 14 HH TYR 14 -10.945 3.386 0.037 122 H LEU 15 H LEU 15 -10.003 -3.621 -3.929 123 HA LEU 15 HA LEU 15 -8.706 -3.816 -1.436 124 HB2 LEU 15 1HB LEU 15 -9.017 -6.160 -1.618 125 HB3 LEU 15 2HB LEU 15 -10.393 -5.430 -2.424 126 HG LEU 15 HG LEU 15 -8.600 -5.788 -4.487 127 HD11 LEU 15 1HD1 LEU 15 -7.866 -8.108 -4.337 128 HD12 LEU 15 2HD1 LEU 15 -8.476 -8.201 -2.685 129 HD13 LEU 15 3HD1 LEU 15 -7.133 -7.125 -3.070 130 HD21 LEU 15 1HD2 LEU 15 -10.819 -7.596 -3.557 131 HD22 LEU 15 2HD2 LEU 15 -10.122 -7.570 -5.177 132 HD23 LEU 15 3HD2 LEU 15 -10.988 -6.156 -4.566 133 H LYS 16 H LYS 16 -7.648 -3.796 -4.682 134 HA LYS 16 HA LYS 16 -5.029 -4.866 -4.202 135 HB2 LYS 16 1HB LYS 16 -6.147 -5.062 -6.415 136 HB3 LYS 16 2HB LYS 16 -6.135 -3.314 -6.555 137 HG2 LYS 16 1HG LYS 16 -3.595 -4.868 -6.226 138 HG3 LYS 16 2HG LYS 16 -4.341 -4.625 -7.806 139 HD2 LYS 16 1HD LYS 16 -3.972 -2.238 -6.072 140 HD3 LYS 16 2HD LYS 16 -2.523 -2.950 -6.804 141 HE2 LYS 16 1HE LYS 16 -3.376 -1.215 -8.247 142 HE3 LYS 16 2HE LYS 16 -3.587 -2.779 -9.023 143 HZ1 LYS 16 1HZ LYS 16 -5.896 -2.758 -8.459 144 HZ2 LYS 16 2HZ LYS 16 -5.521 -1.305 -9.242 145 HZ3 LYS 16 3HZ LYS 16 -5.728 -1.330 -7.564 146 H ILE 17 H ILE 17 -6.628 -1.789 -4.626 147 HA ILE 17 HA ILE 17 -4.468 -0.089 -4.947 148 HB ILE 17 HB ILE 17 -7.190 0.190 -4.944 149 HG12 ILE 17 1HG1 ILE 17 -6.621 2.694 -5.201 150 HG13 ILE 17 2HG1 ILE 17 -4.950 2.180 -4.967 151 HG21 ILE 17 1HG2 ILE 17 -7.782 1.953 -3.347 152 HG22 ILE 17 2HG2 ILE 17 -6.204 1.789 -2.578 153 HG23 ILE 17 3HG2 ILE 17 -7.352 0.451 -2.526 154 HD11 ILE 17 1HD1 ILE 17 -5.102 0.715 -6.879 155 HD12 ILE 17 2HD1 ILE 17 -5.568 2.354 -7.340 156 HD13 ILE 17 3HD1 ILE 17 -6.806 1.118 -7.083 157 H SER 18 H SER 18 -5.920 -1.357 -2.088 158 HA SER 18 HA SER 18 -4.374 0.409 -0.385 159 HB2 SER 18 1HB SER 18 -6.754 -0.192 0.163 160 HB3 SER 18 2HB SER 18 -6.226 -1.852 0.426 161 HG SER 18 HG SER 18 -5.504 -1.299 2.317 162 H PHE 19 H PHE 19 -4.513 -2.840 -1.515 163 HA PHE 19 HA PHE 19 -2.811 -4.181 0.217 164 HB2 PHE 19 1HB PHE 19 -3.760 -5.710 -1.148 165 HB3 PHE 19 2HB PHE 19 -3.926 -4.548 -2.459 166 HD1 PHE 19 HD1 PHE 19 -2.581 -4.634 -4.293 167 HD2 PHE 19 HD2 PHE 19 -1.427 -6.747 -0.792 168 HE1 PHE 19 HE1 PHE 19 -0.722 -5.620 -5.523 169 HE2 PHE 19 HE2 PHE 19 0.442 -7.762 -2.016 170 HZ PHE 19 HZ PHE 19 0.803 -7.206 -4.396 171 H LEU 20 H LEU 20 -1.936 -2.732 -2.968 172 HA LEU 20 HA LEU 20 0.843 -3.260 -2.439 173 HB2 LEU 20 1HB LEU 20 1.346 -2.369 -4.523 174 HB3 LEU 20 2HB LEU 20 -0.249 -3.044 -4.756 175 HG LEU 20 HG LEU 20 0.285 -0.124 -4.255 176 HD11 LEU 20 1HD1 LEU 20 -0.249 -1.569 -6.844 177 HD12 LEU 20 2HD1 LEU 20 1.273 -0.817 -6.369 178 HD13 LEU 20 3HD1 LEU 20 -0.156 0.180 -6.643 179 HD21 LEU 20 1HD2 LEU 20 -1.901 -0.489 -3.620 180 HD22 LEU 20 2HD2 LEU 20 -2.146 -1.741 -4.852 181 HD23 LEU 20 3HD2 LEU 20 -2.056 -0.038 -5.325 182 H GLY 21 H GLY 21 -1.402 -0.803 -1.828 183 HA2 GLY 21 1HA GLY 21 0.339 1.351 -1.263 184 HA3 GLY 21 2HA GLY 21 -1.317 1.144 -0.697 185 H CYS 22 H CYS 22 -0.183 -1.575 0.267 186 HA CYS 22 HA CYS 22 0.477 -0.772 2.970 187 HB2 CYS 22 1HB CYS 22 0.206 -3.493 1.677 188 HB3 CYS 22 2HB CYS 22 0.523 -3.214 3.381 189 HG CYS 22 HG CYS 22 -2.285 -1.959 1.910 190 H LYS 23 H LYS 23 1.800 -2.668 0.340 191 HA LYS 23 HA LYS 23 4.377 -3.105 1.209 192 HB2 LYS 23 1HB LYS 23 3.327 -2.411 -1.499 193 HB3 LYS 23 2HB LYS 23 4.965 -2.980 -1.218 194 HG2 LYS 23 1HG LYS 23 4.080 -5.103 -0.366 195 HG3 LYS 23 2HG LYS 23 2.437 -4.529 -0.665 196 HD2 LYS 23 1HD LYS 23 2.823 -4.437 -3.019 197 HD3 LYS 23 2HD LYS 23 4.546 -4.757 -2.805 198 HE2 LYS 23 1HE LYS 23 3.971 -6.978 -1.877 199 HE3 LYS 23 2HE LYS 23 2.272 -6.647 -2.215 200 HZ1 LYS 23 1HZ LYS 23 4.454 -6.821 -4.224 201 HZ2 LYS 23 2HZ LYS 23 2.846 -6.435 -4.571 202 HZ3 LYS 23 3HZ LYS 23 3.236 -7.966 -3.971 203 H VAL 24 H VAL 24 2.874 -0.406 -0.278 204 HA VAL 24 HA VAL 24 5.288 1.128 -0.446 205 HB VAL 24 HB VAL 24 2.442 1.950 -0.888 206 HG11 VAL 24 1HG1 VAL 24 3.352 3.866 -2.085 207 HG12 VAL 24 2HG1 VAL 24 4.984 3.345 -1.671 208 HG13 VAL 24 3HG1 VAL 24 3.875 3.857 -0.401 209 HG21 VAL 24 1HG2 VAL 24 3.261 0.154 -2.370 210 HG22 VAL 24 2HG2 VAL 24 4.565 1.225 -2.889 211 HG23 VAL 24 3HG2 VAL 24 2.888 1.646 -3.241 212 H VAL 25 H VAL 25 2.708 0.630 1.739 213 HA VAL 25 HA VAL 25 3.091 2.926 3.357 214 HB VAL 25 HB VAL 25 1.768 0.333 3.729 215 HG11 VAL 25 1HG1 VAL 25 1.734 0.417 6.182 216 HG12 VAL 25 2HG1 VAL 25 2.915 1.727 6.151 217 HG13 VAL 25 3HG1 VAL 25 3.364 0.121 5.576 218 HG21 VAL 25 1HG2 VAL 25 0.575 2.369 3.324 219 HG22 VAL 25 2HG2 VAL 25 1.328 3.119 4.736 220 HG23 VAL 25 3HG2 VAL 25 0.191 1.783 4.944 221 H ALA 26 H ALA 26 4.704 -0.134 3.045 222 HA ALA 26 HA ALA 26 6.371 0.103 5.282 223 HB1 ALA 26 1HB ALA 26 6.024 -2.013 4.106 224 HB2 ALA 26 2HB ALA 26 7.739 -1.624 4.244 225 HB3 ALA 26 3HB ALA 26 6.900 -1.378 2.712 226 H LEU 27 H LEU 27 6.591 1.473 2.035 227 HA LEU 27 HA LEU 27 9.254 2.451 2.698 228 HB2 LEU 27 1HB LEU 27 9.427 3.261 0.450 229 HB3 LEU 27 2HB LEU 27 8.893 1.595 0.459 230 HG LEU 27 HG LEU 27 6.506 2.676 0.201 231 HD11 LEU 27 1HD1 LEU 27 6.563 4.704 -1.170 232 HD12 LEU 27 2HD1 LEU 27 8.309 4.807 -0.941 233 HD13 LEU 27 3HD1 LEU 27 7.226 4.990 0.440 234 HD21 LEU 27 1HD2 LEU 27 7.539 1.167 -1.394 235 HD22 LEU 27 2HD2 LEU 27 8.521 2.483 -2.033 236 HD23 LEU 27 3HD2 LEU 27 6.770 2.513 -2.236 237 H LEU 28 H LEU 28 6.007 3.549 2.627 238 HA LEU 28 HA LEU 28 6.688 6.351 2.585 239 HB2 LEU 28 1HB LEU 28 4.765 6.007 1.420 240 HB3 LEU 28 2HB LEU 28 4.239 4.700 2.457 241 HG LEU 28 HG LEU 28 4.084 6.968 4.066 242 HD11 LEU 28 1HD1 LEU 28 2.709 8.508 2.774 243 HD12 LEU 28 2HD1 LEU 28 2.982 7.546 1.320 244 HD13 LEU 28 3HD1 LEU 28 4.330 8.382 2.090 245 HD21 LEU 28 1HD2 LEU 28 2.621 5.006 4.029 246 HD22 LEU 28 2HD2 LEU 28 1.944 5.547 2.489 247 HD23 LEU 28 3HD2 LEU 28 1.699 6.512 3.945 248 H LYS 29 H LYS 29 4.603 4.535 4.871 249 HA LYS 29 HA LYS 29 5.309 6.417 6.964 250 HB2 LYS 29 1HB LYS 29 3.410 4.071 6.933 251 HB3 LYS 29 2HB LYS 29 3.698 5.069 8.350 252 HG2 LYS 29 1HG LYS 29 2.615 6.068 5.727 253 HG3 LYS 29 2HG LYS 29 1.644 5.670 7.142 254 HD2 LYS 29 1HD LYS 29 2.796 7.403 8.423 255 HD3 LYS 29 2HD LYS 29 3.795 7.787 7.021 256 HE2 LYS 29 1HE LYS 29 1.792 8.420 5.766 257 HE3 LYS 29 2HE LYS 29 0.791 8.031 7.164 258 HZ1 LYS 29 1HZ LYS 29 2.906 10.113 7.130 259 HZ2 LYS 29 2HZ LYS 29 1.835 9.792 8.396 260 HZ3 LYS 29 3HZ LYS 29 1.256 10.416 6.936 261 H ARG 30 H ARG 30 5.949 3.237 5.944 262 HA ARG 30 HA ARG 30 7.456 1.676 6.519 263 HB2 ARG 30 1HB ARG 30 8.546 3.789 8.389 264 HB3 ARG 30 2HB ARG 30 9.301 2.227 8.119 265 HG2 ARG 30 1HG ARG 30 9.554 2.813 5.727 266 HG3 ARG 30 2HG ARG 30 8.905 4.416 6.088 267 HD2 ARG 30 1HD ARG 30 10.739 4.818 7.644 268 HD3 ARG 30 2HD ARG 30 11.374 3.205 7.329 269 HE ARG 30 HE ARG 30 11.112 4.857 4.979 270 HH11 ARG 30 1HH1 ARG 30 13.193 3.898 7.629 271 HH12 ARG 30 2HH1 ARG 30 14.652 4.381 6.827 272 HH21 ARG 30 1HH2 ARG 30 13.041 5.493 3.922 273 HH22 ARG 30 2HH2 ARG 30 14.566 5.290 4.727 Start of MODEL 10 1 H1 MET 1 1H MET 1 -23.472 5.596 -14.545 2 H2 MET 1 2H MET 1 -22.942 4.568 -15.776 3 H3 MET 1 3H MET 1 -21.848 5.596 -15.008 4 HA MET 1 HA MET 1 -21.678 3.267 -14.297 5 HB2 MET 1 1HB MET 1 -21.794 3.821 -11.812 6 HB3 MET 1 2HB MET 1 -20.764 4.837 -12.806 7 HG2 MET 1 1HG MET 1 -21.932 6.218 -11.258 8 HG3 MET 1 2HG MET 1 -22.565 6.530 -12.869 9 HE1 MET 1 1HE MET 1 -23.956 7.394 -10.081 10 HE2 MET 1 2HE MET 1 -25.645 7.057 -10.460 11 HE3 MET 1 3HE MET 1 -24.604 7.811 -11.667 12 H ALA 2 H ALA 2 -24.415 3.462 -15.351 13 HA ALA 2 HA ALA 2 -25.783 1.913 -13.253 14 HB1 ALA 2 1HB ALA 2 -27.905 2.746 -14.067 15 HB2 ALA 2 2HB ALA 2 -27.088 3.660 -15.332 16 HB3 ALA 2 3HB ALA 2 -26.852 4.094 -13.640 17 H THR 3 H THR 3 -24.065 1.330 -15.783 18 HA THR 3 HA THR 3 -25.939 -0.228 -17.361 19 HB THR 3 HB THR 3 -23.796 -0.809 -18.655 20 HG1 THR 3 HG1 THR 3 -22.047 0.583 -18.253 21 HG21 THR 3 1HG2 THR 3 -24.689 2.070 -18.466 22 HG22 THR 3 2HG2 THR 3 -25.424 0.817 -19.465 23 HG23 THR 3 3HG2 THR 3 -23.782 1.365 -19.804 24 H LYS 4 H LYS 4 -24.853 -0.791 -14.504 25 HA LYS 4 HA LYS 4 -24.383 -2.585 -13.200 26 HB2 LYS 4 1HB LYS 4 -25.244 -4.218 -15.599 27 HB3 LYS 4 2HB LYS 4 -25.135 -4.785 -13.939 28 HG2 LYS 4 1HG LYS 4 -27.028 -2.679 -14.970 29 HG3 LYS 4 2HG LYS 4 -27.441 -4.346 -14.565 30 HD2 LYS 4 1HD LYS 4 -26.832 -3.946 -12.240 31 HD3 LYS 4 2HD LYS 4 -26.363 -2.292 -12.636 32 HE2 LYS 4 1HE LYS 4 -29.135 -3.446 -12.933 33 HE3 LYS 4 2HE LYS 4 -28.597 -2.412 -11.611 34 HZ1 LYS 4 1HZ LYS 4 -29.781 -1.134 -13.261 35 HZ2 LYS 4 2HZ LYS 4 -28.733 -1.652 -14.480 36 HZ3 LYS 4 3HZ LYS 4 -28.160 -0.656 -13.239 37 H HIS 5 H HIS 5 -22.323 -1.386 -14.646 38 HA HIS 5 HA HIS 5 -20.467 -3.630 -15.024 39 HB2 HIS 5 1HB HIS 5 -21.145 -2.767 -17.237 40 HB3 HIS 5 2HB HIS 5 -20.653 -1.150 -16.754 41 HD1 HIS 5 HD1 HIS 5 -18.228 -0.541 -17.058 42 HD2 HIS 5 HD2 HIS 5 -18.955 -4.597 -17.608 43 HE1 HIS 5 HE1 HIS 5 -16.094 -1.492 -17.973 44 HE2 HIS 5 HE2 HIS 5 -16.605 -3.912 -18.440 45 H GLY 6 H GLY 6 -18.583 -3.394 -13.950 46 HA2 GLY 6 1HA GLY 6 -16.843 -2.342 -12.838 47 HA3 GLY 6 2HA GLY 6 -17.545 -0.800 -13.284 48 H LYS 7 H LYS 7 -19.144 -3.387 -11.587 49 HA LYS 7 HA LYS 7 -19.620 -1.565 -9.364 50 HB2 LYS 7 1HB LYS 7 -20.919 -4.195 -10.060 51 HB3 LYS 7 2HB LYS 7 -21.301 -3.261 -8.621 52 HG2 LYS 7 1HG LYS 7 -22.011 -1.399 -10.055 53 HG3 LYS 7 2HG LYS 7 -21.706 -2.399 -11.474 54 HD2 LYS 7 1HD LYS 7 -24.061 -2.465 -10.955 55 HD3 LYS 7 2HD LYS 7 -23.350 -4.042 -10.616 56 HE2 LYS 7 1HE LYS 7 -24.870 -3.435 -8.839 57 HE3 LYS 7 2HE LYS 7 -23.221 -3.444 -8.228 58 HZ1 LYS 7 1HZ LYS 7 -24.770 -1.037 -9.010 59 HZ2 LYS 7 2HZ LYS 7 -23.180 -1.028 -8.443 60 HZ3 LYS 7 3HZ LYS 7 -24.434 -1.528 -7.429 61 H ASN 8 H ASN 8 -17.431 -3.740 -10.165 62 HA ASN 8 HA ASN 8 -16.716 -4.206 -7.400 63 HB2 ASN 8 1HB ASN 8 -16.534 -6.593 -7.534 64 HB3 ASN 8 2HB ASN 8 -18.161 -6.134 -8.018 65 HD21 ASN 8 1HD2 ASN 8 -15.166 -7.535 -9.011 66 HD22 ASN 8 2HD2 ASN 8 -15.706 -8.093 -10.555 67 H SER 9 H SER 9 -15.826 -4.572 -10.809 68 HA SER 9 HA SER 9 -13.158 -5.008 -10.691 69 HB2 SER 9 1HB SER 9 -14.454 -2.911 -12.441 70 HB3 SER 9 2HB SER 9 -12.965 -3.796 -12.775 71 HG SER 9 HG SER 9 -14.090 -5.569 -13.244 72 H TRP 10 H TRP 10 -14.756 -1.870 -10.109 73 HA TRP 10 HA TRP 10 -12.466 -0.291 -9.831 74 HB2 TRP 10 1HB TRP 10 -13.876 1.355 -8.866 75 HB3 TRP 10 2HB TRP 10 -14.924 0.477 -9.973 76 HD1 TRP 10 HD1 TRP 10 -16.947 -0.870 -8.920 77 HE1 TRP 10 HE1 TRP 10 -17.978 -0.969 -6.571 78 HE3 TRP 10 HE3 TRP 10 -13.205 1.435 -6.324 79 HZ2 TRP 10 HZ2 TRP 10 -17.282 -0.185 -3.951 80 HZ3 TRP 10 HZ3 TRP 10 -13.465 1.713 -3.891 81 HH2 TRP 10 HH2 TRP 10 -15.456 0.909 -2.732 82 H LYS 11 H LYS 11 -14.103 -2.511 -7.798 83 HA LYS 11 HA LYS 11 -12.899 -1.626 -5.338 84 HB2 LYS 11 1HB LYS 11 -15.259 -2.712 -5.820 85 HB3 LYS 11 2HB LYS 11 -14.359 -4.212 -5.658 86 HG2 LYS 11 1HG LYS 11 -13.531 -2.764 -3.503 87 HG3 LYS 11 2HG LYS 11 -15.220 -2.319 -3.663 88 HD2 LYS 11 1HD LYS 11 -14.967 -4.244 -2.188 89 HD3 LYS 11 2HD LYS 11 -15.860 -4.674 -3.647 90 HE2 LYS 11 1HE LYS 11 -13.802 -5.625 -4.612 91 HE3 LYS 11 2HE LYS 11 -12.932 -5.196 -3.141 92 HZ1 LYS 11 1HZ LYS 11 -13.594 -7.516 -3.131 93 HZ2 LYS 11 2HZ LYS 11 -15.220 -7.082 -3.303 94 HZ3 LYS 11 3HZ LYS 11 -14.378 -6.671 -1.893 95 H THR 12 H THR 12 -12.528 -3.985 -7.787 96 HA THR 12 HA THR 12 -10.586 -5.606 -6.515 97 HB THR 12 HB THR 12 -10.691 -5.276 -9.489 98 HG1 THR 12 HG1 THR 12 -12.763 -6.103 -7.798 99 HG21 THR 12 1HG2 THR 12 -9.123 -6.834 -8.411 100 HG22 THR 12 2HG2 THR 12 -10.326 -7.667 -9.408 101 HG23 THR 12 3HG2 THR 12 -10.496 -7.644 -7.651 102 H LEU 13 H LEU 13 -10.531 -2.643 -8.384 103 HA LEU 13 HA LEU 13 -7.701 -2.381 -8.581 104 HB2 LEU 13 1HB LEU 13 -9.461 -0.004 -8.099 105 HB3 LEU 13 2HB LEU 13 -8.077 -0.140 -9.163 106 HG LEU 13 HG LEU 13 -10.861 -1.125 -9.616 107 HD11 LEU 13 1HD1 LEU 13 -9.202 0.978 -10.995 108 HD12 LEU 13 2HD1 LEU 13 -10.577 1.256 -9.927 109 HD13 LEU 13 3HD1 LEU 13 -10.816 0.466 -11.486 110 HD21 LEU 13 1HD2 LEU 13 -8.422 -1.445 -11.380 111 HD22 LEU 13 2HD2 LEU 13 -10.077 -1.848 -11.841 112 HD23 LEU 13 3HD2 LEU 13 -9.279 -2.744 -10.548 113 H TYR 14 H TYR 14 -10.021 -2.108 -6.141 114 HA TYR 14 HA TYR 14 -8.697 -0.049 -4.652 115 HB2 TYR 14 1HB TYR 14 -11.241 -0.432 -5.163 116 HB3 TYR 14 2HB TYR 14 -11.142 -1.440 -3.721 117 HD1 TYR 14 HD1 TYR 14 -10.918 1.905 -5.074 118 HD2 TYR 14 HD2 TYR 14 -10.682 -0.494 -1.578 119 HE1 TYR 14 HE1 TYR 14 -11.029 3.940 -3.666 120 HE2 TYR 14 HE2 TYR 14 -10.779 1.489 -0.161 121 HH TYR 14 HH TYR 14 -11.608 4.598 -1.423 122 H LEU 15 H LEU 15 -9.861 -3.340 -4.058 123 HA LEU 15 HA LEU 15 -8.636 -3.574 -1.527 124 HB2 LEU 15 1HB LEU 15 -9.177 -5.885 -1.649 125 HB3 LEU 15 2HB LEU 15 -10.465 -5.034 -2.482 126 HG LEU 15 HG LEU 15 -8.688 -5.656 -4.514 127 HD11 LEU 15 1HD1 LEU 15 -8.261 -8.038 -4.289 128 HD12 LEU 15 2HD1 LEU 15 -8.939 -8.019 -2.662 129 HD13 LEU 15 3HD1 LEU 15 -7.453 -7.134 -3.009 130 HD21 LEU 15 1HD2 LEU 15 -11.149 -7.130 -3.594 131 HD22 LEU 15 2HD2 LEU 15 -10.423 -7.240 -5.197 132 HD23 LEU 15 3HD2 LEU 15 -11.109 -5.710 -4.642 133 H LYS 16 H LYS 16 -7.523 -3.691 -4.747 134 HA LYS 16 HA LYS 16 -4.987 -4.918 -4.223 135 HB2 LYS 16 1HB LYS 16 -5.996 -5.059 -6.461 136 HB3 LYS 16 2HB LYS 16 -6.010 -3.309 -6.576 137 HG2 LYS 16 1HG LYS 16 -3.446 -4.820 -6.228 138 HG3 LYS 16 2HG LYS 16 -4.176 -4.591 -7.814 139 HD2 LYS 16 1HD LYS 16 -3.658 -2.280 -5.958 140 HD3 LYS 16 2HD LYS 16 -2.407 -2.888 -7.057 141 HE2 LYS 16 1HE LYS 16 -5.145 -1.922 -7.889 142 HE3 LYS 16 2HE LYS 16 -3.663 -0.974 -7.991 143 HZ1 LYS 16 1HZ LYS 16 -4.253 -2.005 -10.108 144 HZ2 LYS 16 2HZ LYS 16 -4.143 -3.538 -9.409 145 HZ3 LYS 16 3HZ LYS 16 -2.765 -2.572 -9.539 146 H ILE 17 H ILE 17 -6.377 -1.744 -4.646 147 HA ILE 17 HA ILE 17 -4.112 -0.159 -4.784 148 HB ILE 17 HB ILE 17 -6.816 0.266 -4.881 149 HG12 ILE 17 1HG1 ILE 17 -6.104 2.717 -5.090 150 HG13 ILE 17 2HG1 ILE 17 -4.478 2.138 -4.725 151 HG21 ILE 17 1HG2 ILE 17 -5.812 1.762 -2.449 152 HG22 ILE 17 2HG2 ILE 17 -7.027 0.483 -2.449 153 HG23 ILE 17 3HG2 ILE 17 -7.361 2.016 -3.254 154 HD11 ILE 17 1HD1 ILE 17 -4.532 0.693 -6.667 155 HD12 ILE 17 2HD1 ILE 17 -4.880 2.357 -7.140 156 HD13 ILE 17 3HD1 ILE 17 -6.191 1.180 -7.009 157 H SER 18 H SER 18 -5.740 -1.531 -2.086 158 HA SER 18 HA SER 18 -4.294 0.098 -0.192 159 HB2 SER 18 1HB SER 18 -6.638 -0.507 0.268 160 HB3 SER 18 2HB SER 18 -6.222 -2.214 0.233 161 HG SER 18 HG SER 18 -5.423 -0.253 2.116 162 H PHE 19 H PHE 19 -4.337 -3.064 -1.537 163 HA PHE 19 HA PHE 19 -2.607 -4.464 0.136 164 HB2 PHE 19 1HB PHE 19 -3.557 -5.935 -1.300 165 HB3 PHE 19 2HB PHE 19 -3.724 -4.717 -2.563 166 HD1 PHE 19 HD1 PHE 19 -1.177 -6.901 -0.937 167 HD2 PHE 19 HD2 PHE 19 -2.409 -4.791 -4.417 168 HE1 PHE 19 HE1 PHE 19 0.705 -7.860 -2.183 169 HE2 PHE 19 HE2 PHE 19 -0.537 -5.727 -5.672 170 HZ PHE 19 HZ PHE 19 1.033 -7.283 -4.563 171 H LEU 20 H LEU 20 -1.740 -2.965 -3.029 172 HA LEU 20 HA LEU 20 1.038 -3.397 -2.463 173 HB2 LEU 20 1HB LEU 20 1.545 -2.437 -4.515 174 HB3 LEU 20 2HB LEU 20 -0.035 -3.135 -4.787 175 HG LEU 20 HG LEU 20 0.446 -0.218 -4.201 176 HD11 LEU 20 1HD1 LEU 20 1.452 -0.857 -6.330 177 HD12 LEU 20 2HD1 LEU 20 0.020 0.141 -6.577 178 HD13 LEU 20 3HD1 LEU 20 -0.067 -1.601 -6.827 179 HD21 LEU 20 1HD2 LEU 20 -1.890 -0.155 -5.292 180 HD22 LEU 20 2HD2 LEU 20 -1.738 -0.626 -3.596 181 HD23 LEU 20 3HD2 LEU 20 -1.953 -1.867 -4.846 182 H GLY 21 H GLY 21 -1.275 -0.993 -1.809 183 HA2 GLY 21 1HA GLY 21 0.424 1.173 -1.178 184 HA3 GLY 21 2HA GLY 21 -1.226 0.929 -0.625 185 H CYS 22 H CYS 22 -0.020 -1.800 0.289 186 HA CYS 22 HA CYS 22 0.547 -1.025 3.024 187 HB2 CYS 22 1HB CYS 22 0.408 -3.718 1.641 188 HB3 CYS 22 2HB CYS 22 0.765 -3.499 3.343 189 HG CYS 22 HG CYS 22 -2.143 -2.301 2.034 190 H LYS 23 H LYS 23 1.985 -2.813 0.406 191 HA LYS 23 HA LYS 23 4.568 -3.135 1.338 192 HB2 LYS 23 1HB LYS 23 3.535 -2.597 -1.408 193 HB3 LYS 23 2HB LYS 23 5.170 -3.148 -1.069 194 HG2 LYS 23 1HG LYS 23 4.257 -5.201 -0.071 195 HG3 LYS 23 2HG LYS 23 2.628 -4.648 -0.465 196 HD2 LYS 23 1HD LYS 23 3.136 -4.703 -2.823 197 HD3 LYS 23 2HD LYS 23 4.818 -5.119 -2.483 198 HE2 LYS 23 1HE LYS 23 2.389 -6.796 -1.880 199 HE3 LYS 23 2HE LYS 23 3.577 -7.093 -3.145 200 HZ1 LYS 23 1HZ LYS 23 4.006 -7.226 -0.212 201 HZ2 LYS 23 2HZ LYS 23 5.259 -7.304 -1.346 202 HZ3 LYS 23 3HZ LYS 23 4.070 -8.506 -1.319 203 H VAL 24 H VAL 24 3.008 -0.550 -0.290 204 HA VAL 24 HA VAL 24 5.377 1.054 -0.451 205 HB VAL 24 HB VAL 24 2.519 1.796 -0.967 206 HG11 VAL 24 1HG1 VAL 24 5.045 3.211 -1.764 207 HG12 VAL 24 2HG1 VAL 24 3.907 3.748 -0.531 208 HG13 VAL 24 3HG1 VAL 24 3.411 3.684 -2.222 209 HG21 VAL 24 1HG2 VAL 24 3.379 -0.032 -2.378 210 HG22 VAL 24 2HG2 VAL 24 4.687 1.030 -2.906 211 HG23 VAL 24 3HG2 VAL 24 3.015 1.428 -3.306 212 H VAL 25 H VAL 25 2.807 0.521 1.732 213 HA VAL 25 HA VAL 25 3.078 2.867 3.302 214 HB VAL 25 HB VAL 25 1.888 0.221 3.721 215 HG11 VAL 25 1HG1 VAL 25 1.885 0.308 6.168 216 HG12 VAL 25 2HG1 VAL 25 2.985 1.686 6.127 217 HG13 VAL 25 3HG1 VAL 25 3.524 0.109 5.549 218 HG21 VAL 25 1HG2 VAL 25 0.612 2.218 3.314 219 HG22 VAL 25 2HG2 VAL 25 1.319 2.981 4.744 220 HG23 VAL 25 3HG2 VAL 25 0.246 1.588 4.922 221 H ALA 26 H ALA 26 4.860 -0.099 3.039 222 HA ALA 26 HA ALA 26 6.520 0.258 5.271 223 HB1 ALA 26 1HB ALA 26 6.299 -1.886 4.104 224 HB2 ALA 26 2HB ALA 26 7.986 -1.391 4.253 225 HB3 ALA 26 3HB ALA 26 7.145 -1.206 2.714 226 H LEU 27 H LEU 27 6.666 1.574 1.988 227 HA LEU 27 HA LEU 27 9.247 2.745 2.667 228 HB2 LEU 27 1HB LEU 27 9.406 3.496 0.392 229 HB3 LEU 27 2HB LEU 27 9.006 1.795 0.452 230 HG LEU 27 HG LEU 27 6.547 2.680 0.118 231 HD11 LEU 27 1HD1 LEU 27 6.476 4.656 -1.321 232 HD12 LEU 27 2HD1 LEU 27 8.205 4.896 -1.078 233 HD13 LEU 27 3HD1 LEU 27 7.096 5.046 0.283 234 HD21 LEU 27 1HD2 LEU 27 6.869 2.445 -2.307 235 HD22 LEU 27 2HD2 LEU 27 7.717 1.193 -1.400 236 HD23 LEU 27 3HD2 LEU 27 8.613 2.553 -2.073 237 H LEU 28 H LEU 28 5.945 3.623 2.552 238 HA LEU 28 HA LEU 28 6.423 6.465 2.415 239 HB2 LEU 28 1HB LEU 28 4.486 5.915 1.329 240 HB3 LEU 28 2HB LEU 28 4.079 4.646 2.463 241 HG LEU 28 HG LEU 28 3.877 6.995 3.941 242 HD11 LEU 28 1HD1 LEU 28 3.948 8.291 1.871 243 HD12 LEU 28 2HD1 LEU 28 2.362 8.381 2.634 244 HD13 LEU 28 3HD1 LEU 28 2.606 7.342 1.230 245 HD21 LEU 28 1HD2 LEU 28 1.516 6.419 3.972 246 HD22 LEU 28 2HD2 LEU 28 2.524 4.973 4.117 247 HD23 LEU 28 3HD2 LEU 28 1.747 5.361 2.579 248 H LYS 29 H LYS 29 4.577 4.541 4.806 249 HA LYS 29 HA LYS 29 5.152 6.515 6.842 250 HB2 LYS 29 1HB LYS 29 3.501 3.996 6.819 251 HB3 LYS 29 2HB LYS 29 3.817 4.883 8.304 252 HG2 LYS 29 1HG LYS 29 2.717 6.846 7.391 253 HG3 LYS 29 2HG LYS 29 2.447 6.000 5.866 254 HD2 LYS 29 1HD LYS 29 0.987 4.422 6.925 255 HD3 LYS 29 2HD LYS 29 1.389 5.049 8.524 256 HE2 LYS 29 1HE LYS 29 -0.796 5.845 7.795 257 HE3 LYS 29 2HE LYS 29 0.341 7.180 7.958 258 HZ1 LYS 29 1HZ LYS 29 -0.385 5.869 5.396 259 HZ2 LYS 29 2HZ LYS 29 0.630 7.205 5.579 260 HZ3 LYS 29 3HZ LYS 29 -1.012 7.338 5.946 261 H ARG 30 H ARG 30 5.936 3.303 5.956 262 HA ARG 30 HA ARG 30 7.668 1.943 6.394 263 HB2 ARG 30 1HB ARG 30 8.869 4.258 7.926 264 HB3 ARG 30 2HB ARG 30 9.719 2.804 7.424 265 HG2 ARG 30 1HG ARG 30 9.392 3.404 5.086 266 HG3 ARG 30 2HG ARG 30 8.500 4.847 5.575 267 HD2 ARG 30 1HD ARG 30 11.399 4.233 6.122 268 HD3 ARG 30 2HD ARG 30 10.763 5.457 5.024 269 HE ARG 30 HE ARG 30 9.898 5.747 7.751 270 HH11 ARG 30 1HH1 ARG 30 12.321 6.610 5.384 271 HH12 ARG 30 2HH1 ARG 30 12.909 7.964 6.293 272 HH21 ARG 30 1HH2 ARG 30 10.656 7.542 8.946 273 HH22 ARG 30 2HH2 ARG 30 11.948 8.509 8.308
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