NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620280 | 5nam | 34108 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.395 0.106 -2.060 3 HB2 MET 1 HB2 MET 1 3.454 1.290 -2.269 4 HB3 MET 1 HB3 MET 1 2.540 2.075 -0.987 5 HG2 MET 1 HG2 MET 1 3.883 0.645 0.629 6 HG3 MET 1 HG3 MET 1 4.928 0.281 -0.743 7 HE1 MET 1 HE1 MET 1 7.369 1.705 0.055 8 HE2 MET 1 HE2 MET 1 6.982 2.700 1.459 9 HE3 MET 1 HE3 MET 1 6.364 1.051 1.349 10 H ASN 2 H ASN 2 3.150 -0.926 -3.352 11 HA ASN 2 HA ASN 2 4.345 -2.760 -3.966 12 HB2 ASN 2 HB2 ASN 2 5.700 -1.869 -1.907 13 HB3 ASN 2 HB3 ASN 2 5.065 -3.303 -1.106 14 HD21 ASN 2 HD21 ASN 2 7.762 -2.921 -1.474 15 HD22 ASN 2 HD22 ASN 2 8.356 -4.084 -2.606 16 H ILE 3 H ILE 3 1.683 -3.197 -3.711 17 HA ILE 3 HA ILE 3 1.624 -6.015 -2.997 18 HB ILE 3 HB ILE 3 -0.665 -5.603 -1.873 19 HG12 ILE 3 HG12 ILE 3 0.626 -2.891 -1.502 20 HG13 ILE 3 HG13 ILE 3 -0.829 -3.219 -2.436 21 HG21 ILE 3 HG21 ILE 3 1.293 -6.482 -0.719 22 HG22 ILE 3 HG22 ILE 3 1.890 -4.843 -0.463 23 HG23 ILE 3 HG23 ILE 3 0.399 -5.370 0.318 24 HD11 ILE 3 HD11 ILE 3 -1.641 -4.213 -0.126 25 HD12 ILE 3 HD12 ILE 3 -0.443 -3.077 0.494 26 HD13 ILE 3 HD13 ILE 3 -1.773 -2.497 -0.508 27 H THR 4 H THR 4 -0.353 -7.093 -3.778 28 HA THR 4 HA THR 4 -2.063 -5.714 -5.625 29 HB THR 4 HB THR 4 -0.341 -7.840 -6.874 30 HG1 THR 4 HG1 THR 4 1.190 -6.413 -7.260 31 HG21 THR 4 HG21 THR 4 -1.522 -7.419 -8.728 32 HG22 THR 4 HG22 THR 4 -1.347 -5.674 -8.532 33 HG23 THR 4 HG23 THR 4 -2.639 -6.532 -7.692 34 H SER 5 H SER 5 -2.714 -7.139 -3.397 35 HA SER 5 HA SER 5 -3.668 -9.737 -4.389 36 HB2 SER 5 HB2 SER 5 -2.343 -9.241 -2.087 37 HB3 SER 5 HB3 SER 5 -4.004 -9.052 -1.525 38 HG SER 5 HG SER 5 -4.172 -11.134 -1.569 39 H GLN 6 H GLN 6 -5.771 -10.194 -2.711 40 HA GLN 6 HA GLN 6 -7.804 -8.524 -3.892 41 HB2 GLN 6 HB2 GLN 6 -7.895 -11.076 -3.486 42 HB3 GLN 6 HB3 GLN 6 -8.306 -10.652 -1.830 43 HG2 GLN 6 HG2 GLN 6 -10.253 -9.421 -2.614 44 HG3 GLN 6 HG3 GLN 6 -9.835 -9.809 -4.282 45 HE21 GLN 6 HE21 GLN 6 -12.062 -10.503 -2.229 46 HE22 GLN 6 HE22 GLN 6 -12.291 -12.197 -2.479 47 H MET 7 H MET 7 -6.492 -6.771 -2.482 48 HA MET 7 HA MET 7 -8.123 -6.355 -0.065 49 HB2 MET 7 HB2 MET 7 -5.242 -5.520 -0.440 50 HB3 MET 7 HB3 MET 7 -6.223 -5.253 0.995 51 HG2 MET 7 HG2 MET 7 -6.425 -7.731 1.219 52 HG3 MET 7 HG3 MET 7 -5.259 -7.883 -0.093 53 HE1 MET 7 HE1 MET 7 -2.072 -7.104 0.921 54 HE2 MET 7 HE2 MET 7 -3.286 -6.429 -0.166 55 HE3 MET 7 HE3 MET 7 -2.671 -5.464 1.177 56 H ASN 8 H ASN 8 -9.029 -4.372 0.197 57 HA ASN 8 HA ASN 8 -9.573 -2.747 -1.948 58 HB2 ASN 8 HB2 ASN 8 -9.408 -1.795 0.918 59 HB3 ASN 8 HB3 ASN 8 -10.392 -1.107 -0.371 60 HD21 ASN 8 HD21 ASN 8 -12.299 -2.071 -0.932 61 HD22 ASN 8 HD22 ASN 8 -13.008 -3.362 -0.029 62 H LYS 9 H LYS 9 -6.970 -2.402 0.424 63 HA LYS 9 HA LYS 9 -5.956 0.061 -0.284 64 HB2 LYS 9 HB2 LYS 9 -4.509 -2.437 0.602 65 HB3 LYS 9 HB3 LYS 9 -3.726 -0.869 0.453 66 HG2 LYS 9 HG2 LYS 9 -6.141 -1.305 2.182 67 HG3 LYS 9 HG3 LYS 9 -4.493 -1.544 2.765 68 HD2 LYS 9 HD2 LYS 9 -3.998 0.691 2.693 69 HD3 LYS 9 HD3 LYS 9 -5.144 1.014 1.390 70 HE2 LYS 9 HE2 LYS 9 -6.012 0.267 4.171 71 HE3 LYS 9 HE3 LYS 9 -5.730 1.937 3.682 72 HZ1 LYS 9 HZ1 LYS 9 -7.743 1.990 2.801 73 HZ2 LYS 9 HZ2 LYS 9 -8.025 0.398 3.297 74 HZ3 LYS 9 HZ3 LYS 9 -7.367 0.703 1.768 75 H THR 10 H THR 10 -4.931 -3.091 -1.602 76 HA THR 10 HA THR 10 -3.133 -2.172 -3.494 77 HB THR 10 HB THR 10 -3.362 -4.268 -4.625 78 HG1 THR 10 HG1 THR 10 -5.668 -4.941 -3.146 79 HG21 THR 10 HG21 THR 10 -3.988 -5.549 -2.157 80 HG22 THR 10 HG22 THR 10 -3.082 -4.076 -1.809 81 HG23 THR 10 HG23 THR 10 -2.408 -5.292 -2.894 82 H ILE 11 H ILE 11 -6.640 -2.445 -3.693 83 HA ILE 11 HA ILE 11 -6.968 -1.998 -6.429 84 HB ILE 11 HB ILE 11 -8.808 -1.077 -4.219 85 HG12 ILE 11 HG12 ILE 11 -8.812 -3.687 -5.749 86 HG13 ILE 11 HG13 ILE 11 -8.221 -3.495 -4.102 87 HG21 ILE 11 HG21 ILE 11 -10.055 -0.246 -5.856 88 HG22 ILE 11 HG22 ILE 11 -8.931 -0.849 -7.073 89 HG23 ILE 11 HG23 ILE 11 -10.240 -1.879 -6.494 90 HD11 ILE 11 HD11 ILE 11 -10.888 -3.925 -5.036 91 HD12 ILE 11 HD12 ILE 11 -10.264 -3.926 -3.386 92 HD13 ILE 11 HD13 ILE 11 -10.804 -2.418 -4.124 93 H ILE 12 H ILE 12 -6.544 0.270 -3.763 94 HA ILE 12 HA ILE 12 -7.021 2.605 -5.341 95 HB ILE 12 HB ILE 12 -5.420 2.619 -2.804 96 HG12 ILE 12 HG12 ILE 12 -8.396 2.207 -3.103 97 HG13 ILE 12 HG13 ILE 12 -7.250 1.190 -2.237 98 HG21 ILE 12 HG21 ILE 12 -6.421 4.776 -2.484 99 HG22 ILE 12 HG22 ILE 12 -5.763 4.700 -4.118 100 HG23 ILE 12 HG23 ILE 12 -7.499 4.529 -3.858 101 HD11 ILE 12 HD11 ILE 12 -8.087 2.267 -0.455 102 HD12 ILE 12 HD12 ILE 12 -6.914 3.502 -0.914 103 HD13 ILE 12 HD13 ILE 12 -8.601 3.663 -1.402 104 H GLY 13 H GLY 13 -4.043 1.274 -3.880 105 HA2 GLY 13 HA2 GLY 13 -2.227 3.022 -5.031 106 HA3 GLY 13 HA3 GLY 13 -1.857 1.365 -4.577 107 H VAL 14 H VAL 14 -3.267 -0.139 -6.304 108 HA VAL 14 HA VAL 14 -1.730 -0.059 -8.647 109 HB VAL 14 HB VAL 14 -4.363 -1.458 -8.159 110 HG11 VAL 14 HG11 VAL 14 -2.973 -2.930 -10.013 111 HG12 VAL 14 HG12 VAL 14 -4.316 -1.840 -10.363 112 HG13 VAL 14 HG13 VAL 14 -2.654 -1.270 -10.515 113 HG21 VAL 14 HG21 VAL 14 -1.601 -2.646 -8.090 114 HG22 VAL 14 HG22 VAL 14 -2.391 -1.996 -6.653 115 HG23 VAL 14 HG23 VAL 14 -3.112 -3.353 -7.518 116 H SER 15 H SER 15 -5.125 0.856 -8.102 117 HA SER 15 HA SER 15 -5.763 1.604 -10.701 118 HB2 SER 15 HB2 SER 15 -7.518 1.425 -9.084 119 HB3 SER 15 HB3 SER 15 -6.772 2.642 -8.047 120 HG SER 15 HG SER 15 -8.238 3.805 -9.103 121 H VAL 16 H VAL 16 -4.227 3.465 -8.122 122 HA VAL 16 HA VAL 16 -4.188 5.935 -9.529 123 HB VAL 16 HB VAL 16 -2.436 5.005 -7.250 124 HG11 VAL 16 HG11 VAL 16 -2.519 7.666 -6.980 125 HG12 VAL 16 HG12 VAL 16 -1.265 6.833 -7.901 126 HG13 VAL 16 HG13 VAL 16 -2.642 7.553 -8.736 127 HG21 VAL 16 HG21 VAL 16 -4.433 6.960 -6.575 128 HG22 VAL 16 HG22 VAL 16 -5.184 5.540 -7.304 129 HG23 VAL 16 HG23 VAL 16 -4.154 5.362 -5.883 130 H LEU 17 H LEU 17 -1.614 3.562 -8.844 131 HA LEU 17 HA LEU 17 0.448 4.730 -10.246 132 HB2 LEU 17 HB2 LEU 17 -0.256 1.950 -9.504 133 HB3 LEU 17 HB3 LEU 17 0.998 2.161 -10.725 134 HG LEU 17 HG LEU 17 2.449 3.212 -9.219 135 HD11 LEU 17 HD11 LEU 17 -0.029 3.758 -7.659 136 HD12 LEU 17 HD12 LEU 17 1.286 4.844 -8.108 137 HD13 LEU 17 HD13 LEU 17 1.517 3.669 -6.813 138 HD21 LEU 17 HD21 LEU 17 2.669 1.021 -8.622 139 HD22 LEU 17 HD22 LEU 17 0.988 0.874 -8.109 140 HD23 LEU 17 HD23 LEU 17 2.158 1.696 -7.075 141 H SER 18 H SER 18 -2.132 2.647 -11.473 142 HA SER 18 HA SER 18 -1.158 2.394 -14.104 143 HB2 SER 18 HB2 SER 18 -2.915 0.935 -13.179 144 HB3 SER 18 HB3 SER 18 -4.024 2.304 -13.129 145 HG SER 18 HG SER 18 -2.900 1.050 -15.405 146 H VAL 19 H VAL 19 -3.626 4.585 -12.760 147 HA VAL 19 HA VAL 19 -4.266 6.011 -15.024 148 HB VAL 19 HB VAL 19 -4.003 7.072 -12.207 149 HG11 VAL 19 HG11 VAL 19 -4.023 8.906 -13.787 150 HG12 VAL 19 HG12 VAL 19 -5.437 8.228 -14.596 151 HG13 VAL 19 HG13 VAL 19 -5.569 8.827 -12.942 152 HG21 VAL 19 HG21 VAL 19 -6.639 6.513 -13.402 153 HG22 VAL 19 HG22 VAL 19 -5.646 5.103 -13.038 154 HG23 VAL 19 HG23 VAL 19 -6.057 6.245 -11.759 155 H LEU 20 H LEU 20 -1.507 6.460 -12.863 156 HA LEU 20 HA LEU 20 -0.550 8.847 -14.031 157 HB2 LEU 20 HB2 LEU 20 0.310 8.407 -11.928 158 HB3 LEU 20 HB3 LEU 20 0.639 6.718 -12.307 159 HG LEU 20 HG LEU 20 2.574 7.338 -13.606 160 HD11 LEU 20 HD11 LEU 20 1.851 9.385 -14.603 161 HD12 LEU 20 HD12 LEU 20 3.308 9.717 -13.668 162 HD13 LEU 20 HD13 LEU 20 1.729 10.171 -13.029 163 HD21 LEU 20 HD21 LEU 20 3.990 8.170 -11.855 164 HD22 LEU 20 HD22 LEU 20 2.781 7.101 -11.142 165 HD23 LEU 20 HD23 LEU 20 2.606 8.851 -10.999 166 H VAL 21 H VAL 21 0.706 5.520 -14.357 167 HA VAL 21 HA VAL 21 2.558 5.971 -16.348 168 HB VAL 21 HB VAL 21 0.837 3.497 -16.179 169 HG11 VAL 21 HG11 VAL 21 2.347 3.777 -18.157 170 HG12 VAL 21 HG12 VAL 21 3.710 3.783 -17.036 171 HG13 VAL 21 HG13 VAL 21 2.682 2.356 -17.168 172 HG21 VAL 21 HG21 VAL 21 1.643 3.149 -14.138 173 HG22 VAL 21 HG22 VAL 21 3.264 3.085 -14.828 174 HG23 VAL 21 HG23 VAL 21 2.620 4.614 -14.229 175 H VAL 22 H VAL 22 -0.844 5.000 -16.777 176 HA VAL 22 HA VAL 22 -0.943 4.899 -19.530 177 HB VAL 22 HB VAL 22 -3.060 5.791 -17.575 178 HG11 VAL 22 HG11 VAL 22 -3.297 5.261 -20.533 179 HG12 VAL 22 HG12 VAL 22 -4.670 5.359 -19.428 180 HG13 VAL 22 HG13 VAL 22 -3.641 6.768 -19.684 181 HG21 VAL 22 HG21 VAL 22 -3.869 3.421 -18.608 182 HG22 VAL 22 HG22 VAL 22 -2.117 3.216 -18.639 183 HG23 VAL 22 HG23 VAL 22 -2.934 3.588 -17.121 184 H SER 23 H SER 23 -1.653 7.728 -17.480 185 HA SER 23 HA SER 23 -2.153 9.557 -19.510 186 HB2 SER 23 HB2 SER 23 -2.375 9.791 -16.923 187 HB3 SER 23 HB3 SER 23 -0.718 10.388 -17.005 188 HG SER 23 HG SER 23 -1.407 12.181 -17.877 189 H VAL 24 H VAL 24 0.904 9.232 -17.695 190 HA VAL 24 HA VAL 24 2.467 10.925 -19.200 191 HB VAL 24 HB VAL 24 3.331 8.337 -17.902 192 HG11 VAL 24 HG11 VAL 24 5.507 9.867 -17.760 193 HG12 VAL 24 HG12 VAL 24 5.192 8.793 -19.124 194 HG13 VAL 24 HG13 VAL 24 4.822 10.513 -19.250 195 HG21 VAL 24 HG21 VAL 24 3.872 10.964 -16.662 196 HG22 VAL 24 HG22 VAL 24 2.197 10.412 -16.638 197 HG23 VAL 24 HG23 VAL 24 3.463 9.419 -15.916 198 H VAL 25 H VAL 25 1.726 7.520 -19.805 199 HA VAL 25 HA VAL 25 3.465 7.024 -21.910 200 HB VAL 25 HB VAL 25 0.814 5.904 -21.127 201 HG11 VAL 25 HG11 VAL 25 1.181 4.255 -23.084 202 HG12 VAL 25 HG12 VAL 25 0.427 5.816 -23.415 203 HG13 VAL 25 HG13 VAL 25 2.131 5.560 -23.794 204 HG21 VAL 25 HG21 VAL 25 3.014 4.103 -21.750 205 HG22 VAL 25 HG22 VAL 25 3.438 5.311 -20.537 206 HG23 VAL 25 HG23 VAL 25 2.054 4.250 -20.277 207 H ALA 26 H ALA 26 0.019 7.909 -22.221 208 HA ALA 26 HA ALA 26 0.123 8.394 -24.989 209 HB1 ALA 26 HB1 ALA 26 -2.060 9.281 -24.785 210 HB2 ALA 26 HB2 ALA 26 -1.935 7.994 -23.586 211 HB3 ALA 26 HB3 ALA 26 -1.817 9.681 -23.085 212 H VAL 27 H VAL 27 0.692 10.469 -22.211 213 HA VAL 27 HA VAL 27 0.587 12.976 -23.354 214 HB VAL 27 HB VAL 27 2.386 11.885 -21.202 215 HG11 VAL 27 HG11 VAL 27 2.221 14.704 -22.251 216 HG12 VAL 27 HG12 VAL 27 2.890 14.287 -20.672 217 HG13 VAL 27 HG13 VAL 27 3.647 13.672 -22.143 218 HG21 VAL 27 HG21 VAL 27 -0.296 12.748 -21.287 219 HG22 VAL 27 HG22 VAL 27 0.653 12.290 -19.873 220 HG23 VAL 27 HG23 VAL 27 0.608 13.973 -20.398 221 H LEU 28 H LEU 28 3.547 11.013 -22.987 222 HA LEU 28 HA LEU 28 5.133 12.671 -24.631 223 HB2 LEU 28 HB2 LEU 28 5.481 9.771 -23.884 224 HB3 LEU 28 HB3 LEU 28 6.714 10.773 -24.649 225 HG LEU 28 HG LEU 28 5.726 11.963 -22.195 226 HD11 LEU 28 HD11 LEU 28 7.269 9.447 -21.748 227 HD12 LEU 28 HD12 LEU 28 5.509 9.394 -21.845 228 HD13 LEU 28 HD13 LEU 28 6.295 10.386 -20.616 229 HD21 LEU 28 HD21 LEU 28 8.498 10.982 -22.796 230 HD22 LEU 28 HD22 LEU 28 8.000 12.355 -21.807 231 HD23 LEU 28 HD23 LEU 28 7.839 12.427 -23.562 232 H VAL 29 H VAL 29 3.091 9.902 -25.295 233 HA VAL 29 HA VAL 29 3.982 9.197 -27.831 234 HB VAL 29 HB VAL 29 1.237 9.095 -26.600 235 HG11 VAL 29 HG11 VAL 29 2.034 8.648 -29.396 236 HG12 VAL 29 HG12 VAL 29 1.059 7.367 -28.672 237 HG13 VAL 29 HG13 VAL 29 0.454 9.024 -28.710 238 HG21 VAL 29 HG21 VAL 29 2.687 6.665 -27.418 239 HG22 VAL 29 HG22 VAL 29 3.419 7.586 -26.104 240 HG23 VAL 29 HG23 VAL 29 1.763 6.998 -25.953 241 H TYR 30 H TYR 30 1.459 11.550 -26.948 242 HA TYR 30 HA TYR 30 1.201 12.435 -29.688 243 HB2 TYR 30 HB2 TYR 30 -0.693 12.309 -27.974 244 HB3 TYR 30 HB3 TYR 30 0.000 13.762 -27.261 245 HD1 TYR 30 HD1 TYR 30 0.408 15.740 -28.958 246 HD2 TYR 30 HD2 TYR 30 -2.323 12.541 -29.597 247 HE1 TYR 30 HE1 TYR 30 -0.829 17.127 -30.569 248 HE2 TYR 30 HE2 TYR 30 -3.568 13.919 -31.211 249 HH TYR 30 HH TYR 30 -3.055 17.272 -31.545 250 H LYS 31 H LYS 31 2.402 13.778 -26.631 251 HA LYS 31 HA LYS 31 3.096 16.318 -27.525 252 HB2 LYS 31 HB2 LYS 31 3.115 15.735 -25.167 253 HB3 LYS 31 HB3 LYS 31 4.430 14.596 -25.428 254 HG2 LYS 31 HG2 LYS 31 5.591 16.810 -26.373 255 HG3 LYS 31 HG3 LYS 31 4.481 17.539 -25.210 256 HD2 LYS 31 HD2 LYS 31 6.593 17.106 -24.129 257 HD3 LYS 31 HD3 LYS 31 5.370 16.016 -23.471 258 HE2 LYS 31 HE2 LYS 31 6.390 14.180 -24.285 259 HE3 LYS 31 HE3 LYS 31 6.844 14.977 -25.791 260 HZ1 LYS 31 HZ1 LYS 31 8.248 15.046 -23.188 261 HZ2 LYS 31 HZ2 LYS 31 8.558 16.188 -24.397 262 HZ3 LYS 31 HZ3 LYS 31 8.845 14.547 -24.691 263 H PHE 32 H PHE 32 5.271 13.507 -27.189 264 HA PHE 32 HA PHE 32 7.431 14.722 -28.544 265 HB2 PHE 32 HB2 PHE 32 7.394 12.646 -26.976 266 HB3 PHE 32 HB3 PHE 32 7.041 11.745 -28.447 267 HD1 PHE 32 HD1 PHE 32 9.581 13.181 -26.416 268 HD2 PHE 32 HD2 PHE 32 8.669 11.997 -30.401 269 HE1 PHE 32 HE1 PHE 32 11.984 13.108 -26.940 270 HE2 PHE 32 HE2 PHE 32 11.070 11.921 -30.932 271 HZ PHE 32 HZ PHE 32 12.732 12.476 -29.200 272 H TYR 33 H TYR 33 4.574 13.164 -29.649 273 HA TYR 33 HA TYR 33 5.205 12.064 -32.059 274 HB2 TYR 33 HB2 TYR 33 2.880 12.629 -30.845 275 HB3 TYR 33 HB3 TYR 33 2.857 13.884 -32.079 276 HD1 TYR 33 HD1 TYR 33 1.894 10.613 -31.365 277 HD2 TYR 33 HD2 TYR 33 3.502 12.977 -34.517 278 HE1 TYR 33 HE1 TYR 33 1.073 8.974 -33.005 279 HE2 TYR 33 HE2 TYR 33 2.685 11.345 -36.165 280 HH TYR 33 HH TYR 33 1.934 9.166 -36.383 281 H PHE 34 H PHE 34 4.783 15.511 -31.361 282 HA PHE 34 HA PHE 34 5.140 16.404 -34.022 283 HB2 PHE 34 HB2 PHE 34 4.368 17.592 -31.694 284 HB3 PHE 34 HB3 PHE 34 5.998 18.233 -31.875 285 HD1 PHE 34 HD1 PHE 34 6.058 20.315 -32.815 286 HD2 PHE 34 HD2 PHE 34 3.127 17.538 -34.162 287 HE1 PHE 34 HE1 PHE 34 5.224 21.980 -34.422 288 HE2 PHE 34 HE2 PHE 34 2.288 19.199 -35.772 289 HZ PHE 34 HZ PHE 34 3.337 21.423 -35.904 290 H HIS 35 H HIS 35 7.369 16.027 -31.295 291 HA HIS 35 HA HIS 35 9.645 17.176 -32.341 292 HB2 HIS 35 HB2 HIS 35 9.394 14.712 -30.607 293 HB3 HIS 35 HB3 HIS 35 10.911 15.554 -30.913 294 HD1 HIS 35 HD1 HIS 35 9.032 18.355 -30.715 295 HD2 HIS 35 HD2 HIS 35 9.887 15.464 -27.855 296 HE1 HIS 35 HE1 HIS 35 8.683 19.482 -28.494 297 H LEU 36 H LEU 36 8.376 13.921 -32.894 298 HA LEU 36 HA LEU 36 10.491 12.819 -34.303 299 HB2 LEU 36 HB2 LEU 36 7.523 12.427 -34.607 300 HB3 LEU 36 HB3 LEU 36 8.717 11.451 -35.460 301 HG LEU 36 HG LEU 36 8.883 11.608 -32.491 302 HD11 LEU 36 HD11 LEU 36 6.448 11.132 -33.443 303 HD12 LEU 36 HD12 LEU 36 7.101 10.274 -32.048 304 HD13 LEU 36 HD13 LEU 36 7.127 9.516 -33.640 305 HD21 LEU 36 HD21 LEU 36 9.109 9.037 -33.829 306 HD22 LEU 36 HD22 LEU 36 10.237 9.855 -32.748 307 HD23 LEU 36 HD23 LEU 36 10.228 10.240 -34.470 308 H MET 37 H MET 37 7.701 14.612 -35.605 309 HA MET 37 HA MET 37 8.467 14.549 -38.291 310 HB2 MET 37 HB2 MET 37 6.638 16.198 -36.643 311 HB3 MET 37 HB3 MET 37 7.133 16.887 -38.183 312 HG2 MET 37 HG2 MET 37 6.023 15.321 -39.404 313 HG3 MET 37 HG3 MET 37 6.177 14.081 -38.162 314 HE1 MET 37 HE1 MET 37 3.471 15.173 -35.571 315 HE2 MET 37 HE2 MET 37 4.368 13.763 -36.136 316 HE3 MET 37 HE3 MET 37 5.234 15.211 -35.620 317 H LEU 38 H LEU 38 9.225 16.882 -35.738 318 HA LEU 38 HA LEU 38 10.576 18.750 -37.342 319 HB2 LEU 38 HB2 LEU 38 10.511 18.096 -34.444 320 HB3 LEU 38 HB3 LEU 38 11.814 19.128 -35.030 321 HG LEU 38 HG LEU 38 10.155 20.723 -35.882 322 HD11 LEU 38 HD11 LEU 38 8.092 19.001 -34.524 323 HD12 LEU 38 HD12 LEU 38 8.365 19.034 -36.266 324 HD13 LEU 38 HD13 LEU 38 7.821 20.489 -35.431 325 HD21 LEU 38 HD21 LEU 38 11.042 20.545 -33.401 326 HD22 LEU 38 HD22 LEU 38 9.336 20.254 -33.062 327 HD23 LEU 38 HD23 LEU 38 9.834 21.744 -33.864 328 H LEU 39 H LEU 39 11.646 15.796 -35.767 329 HA LEU 39 HA LEU 39 14.426 16.230 -36.351 330 HB2 LEU 39 HB2 LEU 39 12.795 14.077 -35.129 331 HB3 LEU 39 HB3 LEU 39 14.353 13.621 -35.814 332 HG LEU 39 HG LEU 39 14.550 14.012 -33.431 333 HD11 LEU 39 HD11 LEU 39 16.461 15.350 -33.471 334 HD12 LEU 39 HD12 LEU 39 15.836 16.368 -34.768 335 HD13 LEU 39 HD13 LEU 39 16.348 14.716 -35.112 336 HD21 LEU 39 HD21 LEU 39 12.781 15.493 -32.946 337 HD22 LEU 39 HD22 LEU 39 13.365 16.693 -34.100 338 HD23 LEU 39 HD23 LEU 39 14.261 16.392 -32.610 339 H ALA 40 H ALA 40 11.756 14.472 -37.812 340 HA ALA 40 HA ALA 40 13.259 12.994 -39.687 341 HB1 ALA 40 HB1 ALA 40 10.510 13.881 -40.380 342 HB2 ALA 40 HB2 ALA 40 11.257 12.289 -40.522 343 HB3 ALA 40 HB3 ALA 40 10.722 12.874 -38.947 344 H GLY 41 H GLY 41 11.485 16.071 -40.021 345 HA2 GLY 41 HA2 GLY 41 12.689 16.492 -42.645 346 HA3 GLY 41 HA3 GLY 41 11.446 17.485 -41.897 347 H CYS 42 H CYS 42 14.336 16.582 -40.171 348 HA CYS 42 HA CYS 42 14.995 19.334 -39.721 349 HB2 CYS 42 HB2 CYS 42 15.309 17.435 -38.065 350 HB3 CYS 42 HB3 CYS 42 16.692 16.935 -39.031 351 HG CYS 42 HG CYS 42 16.357 19.661 -37.041 352 H ILE 43 H ILE 43 16.107 16.805 -41.844 353 HA ILE 43 HA ILE 43 18.026 18.706 -43.019 354 HB ILE 43 HB ILE 43 18.391 15.716 -42.786 355 HG12 ILE 43 HG12 ILE 43 20.123 17.861 -41.571 356 HG13 ILE 43 HG13 ILE 43 18.738 17.194 -40.712 357 HG21 ILE 43 HG21 ILE 43 19.712 17.793 -44.405 358 HG22 ILE 43 HG22 ILE 43 20.785 16.667 -43.575 359 HG23 ILE 43 HG23 ILE 43 19.558 16.058 -44.685 360 HD11 ILE 43 HD11 ILE 43 20.754 15.319 -41.827 361 HD12 ILE 43 HD12 ILE 43 21.148 16.231 -40.369 362 HD13 ILE 43 HD13 ILE 43 19.739 15.171 -40.393 363 H LYS 44 H LYS 44 18.119 18.811 -45.233 364 HA LYS 44 HA LYS 44 15.821 18.171 -46.695 365 HB2 LYS 44 HB2 LYS 44 18.615 18.848 -47.625 366 HB3 LYS 44 HB3 LYS 44 17.231 18.721 -48.704 367 HG2 LYS 44 HG2 LYS 44 16.179 20.459 -47.045 368 HG3 LYS 44 HG3 LYS 44 17.871 20.797 -46.673 369 HD2 LYS 44 HD2 LYS 44 17.563 22.266 -48.394 370 HD3 LYS 44 HD3 LYS 44 18.060 20.845 -49.315 371 HE2 LYS 44 HE2 LYS 44 15.167 21.230 -48.725 372 HE3 LYS 44 HE3 LYS 44 15.913 22.227 -49.972 373 HZ1 LYS 44 HZ1 LYS 44 15.384 20.486 -51.266 374 HZ2 LYS 44 HZ2 LYS 44 15.319 19.388 -49.981 375 HZ3 LYS 44 HZ3 LYS 44 16.812 19.816 -50.652 376 H TYR 45 H TYR 45 15.739 16.803 -48.668 377 HA TYR 45 HA TYR 45 16.465 14.120 -48.016 378 HB2 TYR 45 HB2 TYR 45 15.316 15.221 -50.588 379 HB3 TYR 45 HB3 TYR 45 15.362 13.525 -50.118 380 HD1 TYR 45 HD1 TYR 45 14.442 13.433 -47.422 381 HD2 TYR 45 HD2 TYR 45 13.142 15.985 -50.569 382 HE1 TYR 45 HE1 TYR 45 12.260 13.679 -46.314 383 HE2 TYR 45 HE2 TYR 45 10.957 16.239 -49.468 384 HH TYR 45 HH TYR 45 10.150 16.018 -46.905 385 H GLY 46 H GLY 46 17.520 12.683 -49.698 386 HA2 GLY 46 HA2 GLY 46 19.491 13.951 -51.398 387 HA3 GLY 46 HA3 GLY 46 20.161 13.138 -49.992 388 H ARG 47 H ARG 47 17.876 12.535 -52.660 389 HA ARG 47 HA ARG 47 18.102 9.721 -52.545 390 HB2 ARG 47 HB2 ARG 47 17.151 11.622 -54.678 391 HB3 ARG 47 HB3 ARG 47 17.175 9.882 -54.930 392 HG2 ARG 47 HG2 ARG 47 15.759 9.685 -52.850 393 HG3 ARG 47 HG3 ARG 47 15.570 11.438 -52.925 394 HD2 ARG 47 HD2 ARG 47 13.682 10.528 -54.016 395 HD3 ARG 47 HD3 ARG 47 14.746 11.121 -55.291 396 HE ARG 47 HE ARG 47 15.386 8.459 -54.919 397 HH11 ARG 47 HH11 ARG 47 12.590 10.310 -55.855 398 HH12 ARG 47 HH12 ARG 47 11.933 9.058 -56.856 399 HH21 ARG 47 HH21 ARG 47 14.531 6.802 -56.234 400 HH22 ARG 47 HH22 ARG 47 13.038 7.062 -57.070 401 H GLY 48 H GLY 48 19.593 12.117 -54.721 402 HA2 GLY 48 HA2 GLY 48 21.610 12.055 -55.832 403 HA3 GLY 48 HA3 GLY 48 22.023 10.633 -54.886 Start of MODEL 2 1 H1 MET 1 H MET 1 6.119 1.341 0.306 2 HA MET 1 HA MET 1 3.769 -0.217 1.068 3 HB2 MET 1 HB2 MET 1 4.126 2.578 -0.003 4 HB3 MET 1 HB3 MET 1 2.545 1.821 0.146 5 HG2 MET 1 HG2 MET 1 3.191 1.436 2.601 6 HG3 MET 1 HG3 MET 1 4.452 2.630 2.303 7 HE1 MET 1 HE1 MET 1 0.801 1.793 1.849 8 HE2 MET 1 HE2 MET 1 0.689 2.361 3.515 9 HE3 MET 1 HE3 MET 1 -0.074 3.280 2.217 10 H ASN 2 H ASN 2 5.150 -1.583 -0.783 11 HA ASN 2 HA ASN 2 3.773 -1.059 -3.331 12 HB2 ASN 2 HB2 ASN 2 5.536 -2.457 -4.370 13 HB3 ASN 2 HB3 ASN 2 6.195 -1.044 -3.552 14 HD21 ASN 2 HD21 ASN 2 6.616 -4.246 -4.042 15 HD22 ASN 2 HD22 ASN 2 7.539 -4.643 -2.636 16 H ILE 3 H ILE 3 2.163 -2.186 -1.525 17 HA ILE 3 HA ILE 3 2.197 -4.950 -1.215 18 HB ILE 3 HB ILE 3 -0.332 -4.736 -1.051 19 HG12 ILE 3 HG12 ILE 3 0.256 -1.778 -1.200 20 HG13 ILE 3 HG13 ILE 3 -0.373 -2.695 -2.565 21 HG21 ILE 3 HG21 ILE 3 1.056 -4.682 0.913 22 HG22 ILE 3 HG22 ILE 3 1.441 -2.983 0.641 23 HG23 ILE 3 HG23 ILE 3 -0.202 -3.457 1.069 24 HD11 ILE 3 HD11 ILE 3 -2.242 -1.706 -1.580 25 HD12 ILE 3 HD12 ILE 3 -2.270 -3.375 -1.010 26 HD13 ILE 3 HD13 ILE 3 -1.697 -2.090 0.052 27 H THR 4 H THR 4 0.180 -6.254 -2.196 28 HA THR 4 HA THR 4 -0.553 -5.829 -4.871 29 HB THR 4 HB THR 4 1.801 -6.218 -5.389 30 HG1 THR 4 HG1 THR 4 0.549 -8.621 -6.152 31 HG21 THR 4 HG21 THR 4 1.574 -9.033 -4.390 32 HG22 THR 4 HG22 THR 4 2.061 -7.739 -3.294 33 HG23 THR 4 HG23 THR 4 3.019 -8.082 -4.734 34 H SER 5 H SER 5 -1.963 -6.597 -2.674 35 HA SER 5 HA SER 5 -2.521 -9.452 -3.138 36 HB2 SER 5 HB2 SER 5 -1.813 -8.615 -0.793 37 HB3 SER 5 HB3 SER 5 -3.436 -7.929 -0.707 38 HG SER 5 HG SER 5 -3.740 -9.906 0.086 39 H GLN 6 H GLN 6 -5.001 -9.682 -2.062 40 HA GLN 6 HA GLN 6 -6.620 -8.186 -3.987 41 HB2 GLN 6 HB2 GLN 6 -6.586 -10.814 -3.574 42 HB3 GLN 6 HB3 GLN 6 -7.767 -10.388 -2.342 43 HG2 GLN 6 HG2 GLN 6 -9.328 -9.709 -3.871 44 HG3 GLN 6 HG3 GLN 6 -8.120 -9.318 -5.094 45 HE21 GLN 6 HE21 GLN 6 -9.579 -12.035 -3.370 46 HE22 GLN 6 HE22 GLN 6 -9.456 -13.159 -4.675 47 H MET 7 H MET 7 -5.913 -6.533 -2.028 48 HA MET 7 HA MET 7 -8.275 -6.396 -0.271 49 HB2 MET 7 HB2 MET 7 -6.825 -5.017 1.246 50 HB3 MET 7 HB3 MET 7 -6.343 -6.702 1.100 51 HG2 MET 7 HG2 MET 7 -4.680 -5.941 -0.640 52 HG3 MET 7 HG3 MET 7 -5.050 -4.293 -0.137 53 HE1 MET 7 HE1 MET 7 -1.491 -5.267 1.162 54 HE2 MET 7 HE2 MET 7 -2.124 -6.784 0.522 55 HE3 MET 7 HE3 MET 7 -2.396 -5.276 -0.353 56 H ASN 8 H ASN 8 -9.080 -4.257 0.217 57 HA ASN 8 HA ASN 8 -9.598 -2.683 -1.973 58 HB2 ASN 8 HB2 ASN 8 -10.935 -2.466 0.011 59 HB3 ASN 8 HB3 ASN 8 -9.548 -1.926 0.952 60 HD21 ASN 8 HD21 ASN 8 -9.410 0.165 1.271 61 HD22 ASN 8 HD22 ASN 8 -10.104 1.398 0.279 62 H LYS 9 H LYS 9 -7.038 -2.255 0.440 63 HA LYS 9 HA LYS 9 -5.998 0.170 -0.315 64 HB2 LYS 9 HB2 LYS 9 -4.952 -2.244 0.996 65 HB3 LYS 9 HB3 LYS 9 -3.721 -1.256 0.220 66 HG2 LYS 9 HG2 LYS 9 -3.736 -0.300 2.280 67 HG3 LYS 9 HG3 LYS 9 -4.971 0.686 1.495 68 HD2 LYS 9 HD2 LYS 9 -6.064 0.128 3.431 69 HD3 LYS 9 HD3 LYS 9 -6.574 -1.203 2.390 70 HE2 LYS 9 HE2 LYS 9 -4.479 -2.407 3.321 71 HE3 LYS 9 HE3 LYS 9 -4.548 -1.192 4.596 72 HZ1 LYS 9 HZ1 LYS 9 -6.168 -2.311 5.580 73 HZ2 LYS 9 HZ2 LYS 9 -5.992 -3.547 4.440 74 HZ3 LYS 9 HZ3 LYS 9 -7.111 -2.306 4.176 75 H THR 10 H THR 10 -5.016 -3.009 -1.599 76 HA THR 10 HA THR 10 -3.185 -2.142 -3.484 77 HB THR 10 HB THR 10 -4.629 -4.318 -4.632 78 HG1 THR 10 HG1 THR 10 -4.261 -5.671 -2.594 79 HG21 THR 10 HG21 THR 10 -2.086 -3.694 -4.424 80 HG22 THR 10 HG22 THR 10 -2.585 -5.382 -4.536 81 HG23 THR 10 HG23 THR 10 -2.176 -4.685 -2.969 82 H ILE 11 H ILE 11 -6.698 -2.408 -3.746 83 HA ILE 11 HA ILE 11 -6.976 -1.929 -6.477 84 HB ILE 11 HB ILE 11 -8.845 -1.033 -4.280 85 HG12 ILE 11 HG12 ILE 11 -8.944 -3.581 -5.901 86 HG13 ILE 11 HG13 ILE 11 -8.227 -3.483 -4.296 87 HG21 ILE 11 HG21 ILE 11 -9.214 -1.393 -7.243 88 HG22 ILE 11 HG22 ILE 11 -10.561 -1.299 -6.110 89 HG23 ILE 11 HG23 ILE 11 -9.460 0.067 -6.285 90 HD11 ILE 11 HD11 ILE 11 -10.787 -2.346 -4.099 91 HD12 ILE 11 HD12 ILE 11 -10.956 -3.834 -5.031 92 HD13 ILE 11 HD13 ILE 11 -10.217 -3.874 -3.430 93 H ILE 12 H ILE 12 -6.567 0.315 -3.793 94 HA ILE 12 HA ILE 12 -7.030 2.669 -5.340 95 HB ILE 12 HB ILE 12 -5.402 2.640 -2.820 96 HG12 ILE 12 HG12 ILE 12 -8.384 2.255 -3.095 97 HG13 ILE 12 HG13 ILE 12 -7.237 1.222 -2.248 98 HG21 ILE 12 HG21 ILE 12 -7.476 4.580 -3.827 99 HG22 ILE 12 HG22 ILE 12 -6.379 4.801 -2.465 100 HG23 ILE 12 HG23 ILE 12 -5.742 4.740 -4.108 101 HD11 ILE 12 HD11 ILE 12 -8.356 2.370 -0.563 102 HD12 ILE 12 HD12 ILE 12 -6.829 3.236 -0.733 103 HD13 ILE 12 HD13 ILE 12 -8.302 3.899 -1.440 104 H GLY 13 H GLY 13 -4.043 1.313 -3.919 105 HA2 GLY 13 HA2 GLY 13 -2.240 3.065 -5.101 106 HA3 GLY 13 HA3 GLY 13 -1.861 1.416 -4.623 107 H VAL 14 H VAL 14 -3.253 -0.132 -6.311 108 HA VAL 14 HA VAL 14 -1.740 -0.101 -8.658 109 HB VAL 14 HB VAL 14 -4.401 -1.443 -8.159 110 HG11 VAL 14 HG11 VAL 14 -4.334 -1.813 -10.371 111 HG12 VAL 14 HG12 VAL 14 -2.632 -1.365 -10.494 112 HG13 VAL 14 HG13 VAL 14 -3.082 -2.989 -9.973 113 HG21 VAL 14 HG21 VAL 14 -2.338 -1.947 -6.680 114 HG22 VAL 14 HG22 VAL 14 -3.243 -3.294 -7.370 115 HG23 VAL 14 HG23 VAL 14 -1.724 -2.783 -8.106 116 H SER 15 H SER 15 -5.120 0.880 -8.135 117 HA SER 15 HA SER 15 -5.733 1.605 -10.749 118 HB2 SER 15 HB2 SER 15 -7.509 1.474 -9.161 119 HB3 SER 15 HB3 SER 15 -6.746 2.663 -8.106 120 HG SER 15 HG SER 15 -8.219 3.829 -9.181 121 H VAL 16 H VAL 16 -4.172 3.463 -8.185 122 HA VAL 16 HA VAL 16 -4.097 5.922 -9.610 123 HB VAL 16 HB VAL 16 -2.367 4.979 -7.319 124 HG11 VAL 16 HG11 VAL 16 -2.376 7.425 -8.909 125 HG12 VAL 16 HG12 VAL 16 -2.517 7.713 -7.174 126 HG13 VAL 16 HG13 VAL 16 -1.153 6.792 -7.808 127 HG21 VAL 16 HG21 VAL 16 -5.103 5.594 -7.396 128 HG22 VAL 16 HG22 VAL 16 -4.089 5.375 -5.969 129 HG23 VAL 16 HG23 VAL 16 -4.310 6.985 -6.654 130 H LEU 17 H LEU 17 -1.565 3.508 -8.913 131 HA LEU 17 HA LEU 17 0.518 4.635 -10.317 132 HB2 LEU 17 HB2 LEU 17 -0.235 1.870 -9.566 133 HB3 LEU 17 HB3 LEU 17 1.024 2.055 -10.785 134 HG LEU 17 HG LEU 17 2.486 3.100 -9.279 135 HD11 LEU 17 HD11 LEU 17 1.346 4.731 -8.150 136 HD12 LEU 17 HD12 LEU 17 1.547 3.539 -6.866 137 HD13 LEU 17 HD13 LEU 17 0.011 3.661 -7.723 138 HD21 LEU 17 HD21 LEU 17 2.163 1.570 -7.138 139 HD22 LEU 17 HD22 LEU 17 2.708 0.914 -8.682 140 HD23 LEU 17 HD23 LEU 17 1.017 0.756 -8.203 141 H SER 18 H SER 18 -2.104 2.604 -11.537 142 HA SER 18 HA SER 18 -1.130 2.323 -14.167 143 HB2 SER 18 HB2 SER 18 -2.909 0.894 -13.238 144 HB3 SER 18 HB3 SER 18 -3.998 2.280 -13.194 145 HG SER 18 HG SER 18 -3.341 0.665 -15.275 146 H VAL 19 H VAL 19 -3.562 4.556 -12.827 147 HA VAL 19 HA VAL 19 -4.183 5.986 -15.094 148 HB VAL 19 HB VAL 19 -3.897 7.054 -12.282 149 HG11 VAL 19 HG11 VAL 19 -3.897 8.878 -13.878 150 HG12 VAL 19 HG12 VAL 19 -5.330 8.217 -14.668 151 HG13 VAL 19 HG13 VAL 19 -5.435 8.829 -13.017 152 HG21 VAL 19 HG21 VAL 19 -5.594 5.117 -13.165 153 HG22 VAL 19 HG22 VAL 19 -5.919 6.197 -11.809 154 HG23 VAL 19 HG23 VAL 19 -6.561 6.572 -13.409 155 H LEU 20 H LEU 20 -1.414 6.399 -12.939 156 HA LEU 20 HA LEU 20 -0.421 8.766 -14.112 157 HB2 LEU 20 HB2 LEU 20 0.441 8.313 -12.014 158 HB3 LEU 20 HB3 LEU 20 0.739 6.617 -12.392 159 HG LEU 20 HG LEU 20 2.678 7.203 -13.702 160 HD11 LEU 20 HD11 LEU 20 2.067 10.076 -13.027 161 HD12 LEU 20 HD12 LEU 20 1.816 9.327 -14.603 162 HD13 LEU 20 HD13 LEU 20 3.447 9.479 -13.949 163 HD21 LEU 20 HD21 LEU 20 2.504 8.394 -10.953 164 HD22 LEU 20 HD22 LEU 20 4.008 8.413 -11.875 165 HD23 LEU 20 HD23 LEU 20 3.247 6.876 -11.460 166 H VAL 21 H VAL 21 0.772 5.417 -14.447 167 HA VAL 21 HA VAL 21 2.625 5.839 -16.445 168 HB VAL 21 HB VAL 21 0.865 3.393 -16.268 169 HG11 VAL 21 HG11 VAL 21 2.971 2.276 -17.064 170 HG12 VAL 21 HG12 VAL 21 2.199 3.345 -18.237 171 HG13 VAL 21 HG13 VAL 21 3.629 3.886 -17.356 172 HG21 VAL 21 HG21 VAL 21 3.294 2.947 -14.930 173 HG22 VAL 21 HG22 VAL 21 2.672 4.483 -14.325 174 HG23 VAL 21 HG23 VAL 21 1.677 3.030 -14.231 175 H VAL 22 H VAL 22 -0.787 4.897 -16.868 176 HA VAL 22 HA VAL 22 -0.884 4.825 -19.626 177 HB VAL 22 HB VAL 22 -3.006 5.671 -17.656 178 HG11 VAL 22 HG11 VAL 22 -3.242 5.186 -20.622 179 HG12 VAL 22 HG12 VAL 22 -4.615 5.257 -19.515 180 HG13 VAL 22 HG13 VAL 22 -3.596 6.677 -19.749 181 HG21 VAL 22 HG21 VAL 22 -2.200 3.106 -18.952 182 HG22 VAL 22 HG22 VAL 22 -2.622 3.431 -17.271 183 HG23 VAL 22 HG23 VAL 22 -3.885 3.358 -18.499 184 H SER 23 H SER 23 -1.627 7.617 -17.536 185 HA SER 23 HA SER 23 -2.134 9.471 -19.542 186 HB2 SER 23 HB2 SER 23 -2.630 9.945 -17.206 187 HB3 SER 23 HB3 SER 23 -0.912 9.919 -16.808 188 HG SER 23 HG SER 23 -2.127 11.733 -18.622 189 H VAL 24 H VAL 24 0.916 9.151 -17.714 190 HA VAL 24 HA VAL 24 2.470 10.880 -19.186 191 HB VAL 24 HB VAL 24 3.360 8.281 -17.928 192 HG11 VAL 24 HG11 VAL 24 5.080 8.989 -19.398 193 HG12 VAL 24 HG12 VAL 24 4.908 10.673 -18.900 194 HG13 VAL 24 HG13 VAL 24 5.570 9.483 -17.778 195 HG21 VAL 24 HG21 VAL 24 3.527 11.050 -16.764 196 HG22 VAL 24 HG22 VAL 24 2.168 9.967 -16.463 197 HG23 VAL 24 HG23 VAL 24 3.791 9.507 -15.951 198 H VAL 25 H VAL 25 1.768 7.477 -19.843 199 HA VAL 25 HA VAL 25 3.523 7.028 -21.945 200 HB VAL 25 HB VAL 25 0.878 5.872 -21.194 201 HG11 VAL 25 HG11 VAL 25 2.213 5.580 -23.858 202 HG12 VAL 25 HG12 VAL 25 1.271 4.255 -23.173 203 HG13 VAL 25 HG13 VAL 25 0.506 5.814 -23.486 204 HG21 VAL 25 HG21 VAL 25 3.102 5.211 -20.189 205 HG22 VAL 25 HG22 VAL 25 2.127 3.893 -20.840 206 HG23 VAL 25 HG23 VAL 25 3.501 4.510 -21.757 207 H ALA 26 H ALA 26 0.071 7.884 -22.265 208 HA ALA 26 HA ALA 26 0.186 8.410 -25.024 209 HB1 ALA 26 HB1 ALA 26 -1.876 7.969 -23.641 210 HB2 ALA 26 HB2 ALA 26 -1.778 9.649 -23.112 211 HB3 ALA 26 HB3 ALA 26 -2.008 9.275 -24.820 212 H VAL 27 H VAL 27 0.715 10.451 -22.213 213 HA VAL 27 HA VAL 27 0.593 12.973 -23.322 214 HB VAL 27 HB VAL 27 2.390 11.871 -21.173 215 HG11 VAL 27 HG11 VAL 27 3.637 13.685 -22.080 216 HG12 VAL 27 HG12 VAL 27 2.199 14.703 -22.180 217 HG13 VAL 27 HG13 VAL 27 2.865 14.268 -20.606 218 HG21 VAL 27 HG21 VAL 27 0.589 13.925 -20.346 219 HG22 VAL 27 HG22 VAL 27 -0.303 12.713 -21.265 220 HG23 VAL 27 HG23 VAL 27 0.640 12.232 -19.854 221 H LEU 28 H LEU 28 3.568 11.031 -22.965 222 HA LEU 28 HA LEU 28 5.149 12.729 -24.573 223 HB2 LEU 28 HB2 LEU 28 5.524 9.821 -23.872 224 HB3 LEU 28 HB3 LEU 28 6.752 10.852 -24.604 225 HG LEU 28 HG LEU 28 5.710 11.964 -22.128 226 HD11 LEU 28 HD11 LEU 28 7.334 9.486 -21.751 227 HD12 LEU 28 HD12 LEU 28 5.576 9.386 -21.841 228 HD13 LEU 28 HD13 LEU 28 6.340 10.366 -20.590 229 HD21 LEU 28 HD21 LEU 28 7.870 12.616 -21.852 230 HD22 LEU 28 HD22 LEU 28 7.894 12.338 -23.593 231 HD23 LEU 28 HD23 LEU 28 8.526 11.111 -22.494 232 H VAL 29 H VAL 29 3.139 9.951 -25.290 233 HA VAL 29 HA VAL 29 4.054 9.291 -27.830 234 HB VAL 29 HB VAL 29 1.302 9.142 -26.618 235 HG11 VAL 29 HG11 VAL 29 1.160 7.442 -28.717 236 HG12 VAL 29 HG12 VAL 29 0.531 9.091 -28.733 237 HG13 VAL 29 HG13 VAL 29 2.121 8.745 -29.415 238 HG21 VAL 29 HG21 VAL 29 2.884 6.779 -27.464 239 HG22 VAL 29 HG22 VAL 29 3.435 7.665 -26.043 240 HG23 VAL 29 HG23 VAL 29 1.808 6.986 -26.082 241 H TYR 30 H TYR 30 1.504 11.607 -26.928 242 HA TYR 30 HA TYR 30 1.250 12.528 -29.656 243 HB2 TYR 30 HB2 TYR 30 -0.700 12.375 -28.107 244 HB3 TYR 30 HB3 TYR 30 0.009 13.666 -27.143 245 HD1 TYR 30 HD1 TYR 30 -0.546 13.140 -30.808 246 HD2 TYR 30 HD2 TYR 30 -1.112 15.655 -27.423 247 HE1 TYR 30 HE1 TYR 30 -1.651 14.808 -32.239 248 HE2 TYR 30 HE2 TYR 30 -2.219 17.329 -28.844 249 HH TYR 30 HH TYR 30 -2.244 17.971 -31.252 250 H LYS 31 H LYS 31 2.423 13.839 -26.574 251 HA LYS 31 HA LYS 31 3.098 16.398 -27.431 252 HB2 LYS 31 HB2 LYS 31 3.105 15.787 -25.080 253 HB3 LYS 31 HB3 LYS 31 4.430 14.662 -25.345 254 HG2 LYS 31 HG2 LYS 31 5.580 16.897 -26.255 255 HG3 LYS 31 HG3 LYS 31 4.457 17.602 -25.090 256 HD2 LYS 31 HD2 LYS 31 6.566 17.172 -24.001 257 HD3 LYS 31 HD3 LYS 31 5.348 16.064 -23.365 258 HE2 LYS 31 HE2 LYS 31 6.387 14.247 -24.196 259 HE3 LYS 31 HE3 LYS 31 6.843 15.066 -25.689 260 HZ1 LYS 31 HZ1 LYS 31 8.867 14.766 -24.696 261 HZ2 LYS 31 HZ2 LYS 31 8.268 14.950 -23.125 262 HZ3 LYS 31 HZ3 LYS 31 8.479 16.306 -24.114 263 H PHE 32 H PHE 32 5.297 13.603 -27.112 264 HA PHE 32 HA PHE 32 7.454 14.856 -28.439 265 HB2 PHE 32 HB2 PHE 32 7.358 12.719 -26.900 266 HB3 PHE 32 HB3 PHE 32 7.157 11.880 -28.434 267 HD1 PHE 32 HD1 PHE 32 8.951 11.785 -30.048 268 HD2 PHE 32 HD2 PHE 32 9.432 13.829 -26.346 269 HE1 PHE 32 HE1 PHE 32 11.386 11.836 -30.397 270 HE2 PHE 32 HE2 PHE 32 11.868 13.884 -26.689 271 HZ PHE 32 HZ PHE 32 12.848 12.888 -28.717 272 H TYR 33 H TYR 33 4.622 13.275 -29.577 273 HA TYR 33 HA TYR 33 5.269 12.195 -31.986 274 HB2 TYR 33 HB2 TYR 33 2.935 12.758 -30.795 275 HB3 TYR 33 HB3 TYR 33 2.927 14.026 -32.015 276 HD1 TYR 33 HD1 TYR 33 1.942 10.753 -31.346 277 HD2 TYR 33 HD2 TYR 33 3.595 13.141 -34.456 278 HE1 TYR 33 HE1 TYR 33 1.131 9.136 -33.012 279 HE2 TYR 33 HE2 TYR 33 2.787 11.531 -36.130 280 HH TYR 33 HH TYR 33 1.228 8.509 -35.170 281 H PHE 34 H PHE 34 4.549 15.643 -31.443 282 HA PHE 34 HA PHE 34 5.019 16.537 -34.035 283 HB2 PHE 34 HB2 PHE 34 4.176 17.747 -31.807 284 HB3 PHE 34 HB3 PHE 34 5.848 18.295 -31.781 285 HD1 PHE 34 HD1 PHE 34 6.669 19.862 -33.393 286 HD2 PHE 34 HD2 PHE 34 2.678 18.401 -33.619 287 HE1 PHE 34 HE1 PHE 34 6.115 21.634 -35.009 288 HE2 PHE 34 HE2 PHE 34 2.118 20.169 -35.235 289 HZ PHE 34 HZ PHE 34 3.838 21.788 -35.933 290 H HIS 35 H HIS 35 7.278 16.358 -31.293 291 HA HIS 35 HA HIS 35 9.529 17.430 -32.456 292 HB2 HIS 35 HB2 HIS 35 9.064 15.399 -30.330 293 HB3 HIS 35 HB3 HIS 35 10.700 15.553 -30.964 294 HD1 HIS 35 HD1 HIS 35 8.027 17.647 -29.289 295 HD2 HIS 35 HD2 HIS 35 12.128 17.650 -29.950 296 HE1 HIS 35 HE1 HIS 35 8.927 19.555 -27.919 297 H LEU 36 H LEU 36 8.342 14.099 -32.673 298 HA LEU 36 HA LEU 36 10.441 12.909 -34.007 299 HB2 LEU 36 HB2 LEU 36 7.501 12.441 -34.484 300 HB3 LEU 36 HB3 LEU 36 8.807 11.337 -34.911 301 HG LEU 36 HG LEU 36 8.252 12.152 -32.069 302 HD11 LEU 36 HD11 LEU 36 6.729 10.473 -31.779 303 HD12 LEU 36 HD12 LEU 36 7.327 9.540 -33.151 304 HD13 LEU 36 HD13 LEU 36 6.331 10.970 -33.424 305 HD21 LEU 36 HD21 LEU 36 10.424 11.216 -32.379 306 HD22 LEU 36 HD22 LEU 36 9.782 9.903 -33.366 307 HD23 LEU 36 HD23 LEU 36 9.408 9.976 -31.643 308 H MET 37 H MET 37 7.558 14.346 -35.549 309 HA MET 37 HA MET 37 8.383 14.130 -38.181 310 HB2 MET 37 HB2 MET 37 6.495 15.896 -36.716 311 HB3 MET 37 HB3 MET 37 6.962 16.396 -38.336 312 HG2 MET 37 HG2 MET 37 5.995 14.542 -39.329 313 HG3 MET 37 HG3 MET 37 6.004 13.613 -37.832 314 HE1 MET 37 HE1 MET 37 3.205 14.545 -35.823 315 HE2 MET 37 HE2 MET 37 4.968 14.488 -35.789 316 HE3 MET 37 HE3 MET 37 4.134 16.043 -35.753 317 H LEU 38 H LEU 38 8.998 16.748 -35.870 318 HA LEU 38 HA LEU 38 10.318 18.485 -37.634 319 HB2 LEU 38 HB2 LEU 38 10.207 18.135 -34.687 320 HB3 LEU 38 HB3 LEU 38 11.495 19.140 -35.347 321 HG LEU 38 HG LEU 38 9.536 20.440 -34.606 322 HD11 LEU 38 HD11 LEU 38 10.955 21.368 -36.316 323 HD12 LEU 38 HD12 LEU 38 9.274 21.755 -36.682 324 HD13 LEU 38 HD13 LEU 38 10.095 20.471 -37.567 325 HD21 LEU 38 HD21 LEU 38 8.133 18.834 -36.731 326 HD22 LEU 38 HD22 LEU 38 7.496 20.338 -36.065 327 HD23 LEU 38 HD23 LEU 38 7.737 18.940 -35.016 328 H LEU 39 H LEU 39 11.517 15.845 -35.615 329 HA LEU 39 HA LEU 39 14.268 16.294 -36.203 330 HB2 LEU 39 HB2 LEU 39 12.671 14.184 -34.869 331 HB3 LEU 39 HB3 LEU 39 14.268 13.731 -35.463 332 HG LEU 39 HG LEU 39 14.371 14.316 -33.115 333 HD11 LEU 39 HD11 LEU 39 16.246 14.896 -34.670 334 HD12 LEU 39 HD12 LEU 39 16.180 15.859 -33.194 335 HD13 LEU 39 HD13 LEU 39 15.613 16.542 -34.718 336 HD21 LEU 39 HD21 LEU 39 13.086 16.872 -34.035 337 HD22 LEU 39 HD22 LEU 39 13.974 16.759 -32.515 338 HD23 LEU 39 HD23 LEU 39 12.546 15.757 -32.779 339 H ALA 40 H ALA 40 11.727 14.325 -37.620 340 HA ALA 40 HA ALA 40 13.416 12.821 -39.344 341 HB1 ALA 40 HB1 ALA 40 11.520 11.811 -40.077 342 HB2 ALA 40 HB2 ALA 40 10.884 12.509 -38.587 343 HB3 ALA 40 HB3 ALA 40 10.603 13.317 -40.129 344 H GLY 41 H GLY 41 11.307 15.642 -39.911 345 HA2 GLY 41 HA2 GLY 41 12.468 15.990 -42.565 346 HA3 GLY 41 HA3 GLY 41 11.118 16.892 -41.892 347 H CYS 42 H CYS 42 14.084 16.457 -40.113 348 HA CYS 42 HA CYS 42 14.416 19.233 -39.709 349 HB2 CYS 42 HB2 CYS 42 15.234 17.340 -38.216 350 HB3 CYS 42 HB3 CYS 42 16.565 17.146 -39.350 351 HG CYS 42 HG CYS 42 15.977 20.162 -37.877 352 H ILE 43 H ILE 43 15.671 17.007 -42.079 353 HA ILE 43 HA ILE 43 17.462 19.072 -43.143 354 HB ILE 43 HB ILE 43 17.242 16.172 -43.959 355 HG12 ILE 43 HG12 ILE 43 18.020 16.390 -41.644 356 HG13 ILE 43 HG13 ILE 43 19.326 15.853 -42.694 357 HG21 ILE 43 HG21 ILE 43 19.034 18.427 -44.767 358 HG22 ILE 43 HG22 ILE 43 19.600 16.760 -44.852 359 HG23 ILE 43 HG23 ILE 43 18.184 17.258 -45.777 360 HD11 ILE 43 HD11 ILE 43 19.189 18.145 -40.989 361 HD12 ILE 43 HD12 ILE 43 20.562 17.497 -41.889 362 HD13 ILE 43 HD13 ILE 43 19.468 18.648 -42.656 363 H LYS 44 H LYS 44 15.553 20.288 -43.879 364 HA LYS 44 HA LYS 44 14.507 19.221 -46.420 365 HB2 LYS 44 HB2 LYS 44 13.072 20.079 -44.177 366 HB3 LYS 44 HB3 LYS 44 12.938 21.399 -45.331 367 HG2 LYS 44 HG2 LYS 44 11.779 20.133 -46.855 368 HG3 LYS 44 HG3 LYS 44 12.434 18.610 -46.250 369 HD2 LYS 44 HD2 LYS 44 10.202 18.607 -45.539 370 HD3 LYS 44 HD3 LYS 44 11.113 19.108 -44.112 371 HE2 LYS 44 HE2 LYS 44 10.321 21.247 -44.190 372 HE3 LYS 44 HE3 LYS 44 10.133 21.230 -45.942 373 HZ1 LYS 44 HZ1 LYS 44 8.125 20.079 -45.786 374 HZ2 LYS 44 HZ2 LYS 44 8.032 21.227 -44.548 375 HZ3 LYS 44 HZ3 LYS 44 8.392 19.616 -44.180 376 H TYR 45 H TYR 45 13.772 21.054 -47.916 377 HA TYR 45 HA TYR 45 15.537 23.387 -47.726 378 HB2 TYR 45 HB2 TYR 45 15.373 21.460 -50.039 379 HB3 TYR 45 HB3 TYR 45 15.980 23.101 -50.225 380 HD1 TYR 45 HD1 TYR 45 17.846 23.752 -48.422 381 HD2 TYR 45 HD2 TYR 45 16.918 19.791 -49.668 382 HE1 TYR 45 HE1 TYR 45 20.081 23.011 -47.710 383 HE2 TYR 45 HE2 TYR 45 19.150 19.039 -48.958 384 HH TYR 45 HH TYR 45 20.924 19.725 -47.431 385 H GLY 46 H GLY 46 14.797 25.239 -48.787 386 HA2 GLY 46 HA2 GLY 46 12.341 25.145 -50.320 387 HA3 GLY 46 HA3 GLY 46 12.185 25.895 -48.738 388 H ARG 47 H ARG 47 12.577 26.571 -51.896 389 HA ARG 47 HA ARG 47 13.662 29.212 -51.296 390 HB2 ARG 47 HB2 ARG 47 15.154 29.132 -53.270 391 HB3 ARG 47 HB3 ARG 47 15.618 27.983 -52.021 392 HG2 ARG 47 HG2 ARG 47 14.547 26.182 -53.285 393 HG3 ARG 47 HG3 ARG 47 14.102 27.338 -54.542 394 HD2 ARG 47 HD2 ARG 47 16.957 27.026 -53.696 395 HD3 ARG 47 HD3 ARG 47 16.233 25.896 -54.841 396 HE ARG 47 HE ARG 47 15.741 28.551 -55.663 397 HH11 ARG 47 HH11 ARG 47 18.300 26.201 -55.437 398 HH12 ARG 47 HH12 ARG 47 19.197 26.858 -56.765 399 HH21 ARG 47 HH21 ARG 47 16.914 29.425 -57.413 400 HH22 ARG 47 HH22 ARG 47 18.409 28.693 -57.888 401 H GLY 48 H GLY 48 12.711 30.822 -52.438 402 HA2 GLY 48 HA2 GLY 48 11.307 30.264 -54.913 403 HA3 GLY 48 HA3 GLY 48 10.269 30.669 -53.554 Start of MODEL 3 1 H1 MET 1 H MET 1 6.959 1.387 -4.645 2 HA MET 1 HA MET 1 5.431 -0.242 -2.799 3 HB2 MET 1 HB2 MET 1 5.425 2.340 -2.969 4 HB3 MET 1 HB3 MET 1 4.349 2.100 -4.340 5 HG2 MET 1 HG2 MET 1 2.790 0.887 -2.897 6 HG3 MET 1 HG3 MET 1 3.864 1.153 -1.526 7 HE1 MET 1 HE1 MET 1 4.604 4.599 -2.121 8 HE2 MET 1 HE2 MET 1 3.652 4.732 -0.643 9 HE3 MET 1 HE3 MET 1 4.723 3.350 -0.881 10 H ASN 2 H ASN 2 6.012 -1.814 -4.894 11 HA ASN 2 HA ASN 2 3.716 -1.772 -6.708 12 HB2 ASN 2 HB2 ASN 2 4.961 -3.612 -7.884 13 HB3 ASN 2 HB3 ASN 2 5.819 -2.075 -7.823 14 HD21 ASN 2 HD21 ASN 2 7.896 -2.555 -7.730 15 HD22 ASN 2 HD22 ASN 2 8.627 -3.664 -6.625 16 H ILE 3 H ILE 3 3.004 -2.343 -4.126 17 HA ILE 3 HA ILE 3 3.030 -4.995 -3.312 18 HB ILE 3 HB ILE 3 0.807 -4.441 -2.195 19 HG12 ILE 3 HG12 ILE 3 1.440 -1.665 -3.209 20 HG13 ILE 3 HG13 ILE 3 0.194 -2.697 -3.903 21 HG21 ILE 3 HG21 ILE 3 2.859 -4.262 -0.980 22 HG22 ILE 3 HG22 ILE 3 3.236 -2.719 -1.746 23 HG23 ILE 3 HG23 ILE 3 1.885 -2.837 -0.619 24 HD11 ILE 3 HD11 ILE 3 0.281 -1.591 -1.109 25 HD12 ILE 3 HD12 ILE 3 -0.826 -1.141 -2.406 26 HD13 ILE 3 HD13 ILE 3 -0.914 -2.749 -1.689 27 H THR 4 H THR 4 0.806 -6.250 -3.125 28 HA THR 4 HA THR 4 -1.033 -6.184 -5.237 29 HB THR 4 HB THR 4 0.090 -8.586 -6.046 30 HG1 THR 4 HG1 THR 4 2.187 -6.746 -6.316 31 HG21 THR 4 HG21 THR 4 0.754 -6.134 -7.587 32 HG22 THR 4 HG22 THR 4 -0.949 -6.454 -7.254 33 HG23 THR 4 HG23 THR 4 0.018 -7.644 -8.124 34 H SER 5 H SER 5 -2.657 -6.852 -3.974 35 HA SER 5 HA SER 5 -2.647 -9.589 -3.031 36 HB2 SER 5 HB2 SER 5 -1.655 -8.181 -1.166 37 HB3 SER 5 HB3 SER 5 -3.225 -7.389 -1.042 38 HG SER 5 HG SER 5 -2.728 -9.336 0.337 39 H GLN 6 H GLN 6 -4.890 -9.621 -1.506 40 HA GLN 6 HA GLN 6 -6.939 -8.770 -3.427 41 HB2 GLN 6 HB2 GLN 6 -7.084 -10.848 -1.236 42 HB3 GLN 6 HB3 GLN 6 -8.371 -10.472 -2.374 43 HG2 GLN 6 HG2 GLN 6 -5.658 -11.465 -3.204 44 HG3 GLN 6 HG3 GLN 6 -7.036 -12.521 -2.896 45 HE21 GLN 6 HE21 GLN 6 -6.186 -12.892 -5.258 46 HE22 GLN 6 HE22 GLN 6 -7.084 -12.055 -6.473 47 H MET 7 H MET 7 -5.907 -6.818 -1.710 48 HA MET 7 HA MET 7 -8.163 -6.383 0.136 49 HB2 MET 7 HB2 MET 7 -6.617 -4.906 1.416 50 HB3 MET 7 HB3 MET 7 -6.128 -6.595 1.400 51 HG2 MET 7 HG2 MET 7 -4.617 -5.949 -0.556 52 HG3 MET 7 HG3 MET 7 -4.920 -4.283 -0.070 53 HE1 MET 7 HE1 MET 7 -1.269 -5.658 1.023 54 HE2 MET 7 HE2 MET 7 -2.260 -5.672 -0.436 55 HE3 MET 7 HE3 MET 7 -1.934 -4.150 0.396 56 H ASN 8 H ASN 8 -9.167 -4.385 0.153 57 HA ASN 8 HA ASN 8 -9.503 -3.020 -2.197 58 HB2 ASN 8 HB2 ASN 8 -9.737 -1.794 0.559 59 HB3 ASN 8 HB3 ASN 8 -10.551 -1.249 -0.904 60 HD21 ASN 8 HD21 ASN 8 -11.042 -2.809 1.876 61 HD22 ASN 8 HD22 ASN 8 -12.344 -3.853 1.428 62 H LYS 9 H LYS 9 -7.146 -2.394 0.347 63 HA LYS 9 HA LYS 9 -6.169 0.067 -0.363 64 HB2 LYS 9 HB2 LYS 9 -4.463 -2.287 0.462 65 HB3 LYS 9 HB3 LYS 9 -4.065 -0.585 0.650 66 HG2 LYS 9 HG2 LYS 9 -6.297 -0.558 2.041 67 HG3 LYS 9 HG3 LYS 9 -5.944 -2.280 2.206 68 HD2 LYS 9 HD2 LYS 9 -3.696 -1.702 3.054 69 HD3 LYS 9 HD3 LYS 9 -4.124 0.008 2.958 70 HE2 LYS 9 HE2 LYS 9 -5.483 -2.083 4.657 71 HE3 LYS 9 HE3 LYS 9 -4.387 -0.827 5.231 72 HZ1 LYS 9 HZ1 LYS 9 -7.182 -0.660 4.566 73 HZ2 LYS 9 HZ2 LYS 9 -6.257 0.581 3.886 74 HZ3 LYS 9 HZ3 LYS 9 -6.245 0.339 5.560 75 H THR 10 H THR 10 -4.886 -3.045 -1.550 76 HA THR 10 HA THR 10 -3.081 -2.050 -3.394 77 HB THR 10 HB THR 10 -4.284 -4.383 -4.524 78 HG1 THR 10 HG1 THR 10 -5.224 -4.956 -2.632 79 HG21 THR 10 HG21 THR 10 -1.723 -3.478 -3.457 80 HG22 THR 10 HG22 THR 10 -2.067 -4.535 -4.826 81 HG23 THR 10 HG23 THR 10 -2.014 -5.197 -3.193 82 H ILE 11 H ILE 11 -6.549 -2.551 -3.719 83 HA ILE 11 HA ILE 11 -6.786 -2.213 -6.485 84 HB ILE 11 HB ILE 11 -8.798 -1.324 -4.418 85 HG12 ILE 11 HG12 ILE 11 -8.394 -4.044 -5.681 86 HG13 ILE 11 HG13 ILE 11 -8.107 -3.634 -3.993 87 HG21 ILE 11 HG21 ILE 11 -8.849 -0.959 -7.118 88 HG22 ILE 11 HG22 ILE 11 -9.705 -2.490 -6.945 89 HG23 ILE 11 HG23 ILE 11 -10.275 -1.060 -6.085 90 HD11 ILE 11 HD11 ILE 11 -10.738 -2.869 -4.494 91 HD12 ILE 11 HD12 ILE 11 -10.537 -4.428 -5.295 92 HD13 ILE 11 HD13 ILE 11 -10.181 -4.267 -3.575 93 H ILE 12 H ILE 12 -6.666 0.152 -3.869 94 HA ILE 12 HA ILE 12 -7.227 2.403 -5.534 95 HB ILE 12 HB ILE 12 -5.744 2.594 -2.932 96 HG12 ILE 12 HG12 ILE 12 -8.667 1.966 -3.352 97 HG13 ILE 12 HG13 ILE 12 -7.495 1.064 -2.397 98 HG21 ILE 12 HG21 ILE 12 -7.898 4.331 -4.125 99 HG22 ILE 12 HG22 ILE 12 -6.896 4.686 -2.719 100 HG23 ILE 12 HG23 ILE 12 -6.169 4.612 -4.325 101 HD11 ILE 12 HD11 ILE 12 -7.368 3.378 -1.100 102 HD12 ILE 12 HD12 ILE 12 -9.010 3.509 -1.731 103 HD13 ILE 12 HD13 ILE 12 -8.561 2.136 -0.720 104 H GLY 13 H GLY 13 -4.228 1.315 -3.924 105 HA2 GLY 13 HA2 GLY 13 -2.490 3.163 -5.039 106 HA3 GLY 13 HA3 GLY 13 -2.027 1.545 -4.534 107 H VAL 14 H VAL 14 -3.196 -0.110 -6.266 108 HA VAL 14 HA VAL 14 -1.593 0.042 -8.550 109 HB VAL 14 HB VAL 14 -4.138 -1.534 -8.141 110 HG11 VAL 14 HG11 VAL 14 -3.968 -1.978 -10.323 111 HG12 VAL 14 HG12 VAL 14 -2.359 -1.263 -10.430 112 HG13 VAL 14 HG13 VAL 14 -2.549 -2.934 -9.897 113 HG21 VAL 14 HG21 VAL 14 -1.307 -2.520 -7.925 114 HG22 VAL 14 HG22 VAL 14 -2.200 -1.893 -6.539 115 HG23 VAL 14 HG23 VAL 14 -2.788 -3.318 -7.396 116 H SER 15 H SER 15 -5.068 0.712 -8.174 117 HA SER 15 HA SER 15 -5.643 1.360 -10.813 118 HB2 SER 15 HB2 SER 15 -7.407 1.070 -9.170 119 HB3 SER 15 HB3 SER 15 -6.844 2.477 -8.268 120 HG SER 15 HG SER 15 -7.794 3.754 -9.659 121 H VAL 16 H VAL 16 -4.365 3.385 -8.215 122 HA VAL 16 HA VAL 16 -4.441 5.820 -9.679 123 HB VAL 16 HB VAL 16 -2.740 5.058 -7.300 124 HG11 VAL 16 HG11 VAL 16 -2.647 7.554 -6.970 125 HG12 VAL 16 HG12 VAL 16 -1.718 6.933 -8.336 126 HG13 VAL 16 HG13 VAL 16 -3.275 7.715 -8.610 127 HG21 VAL 16 HG21 VAL 16 -5.437 5.215 -7.362 128 HG22 VAL 16 HG22 VAL 16 -4.461 5.594 -5.943 129 HG23 VAL 16 HG23 VAL 16 -5.025 6.890 -6.998 130 H LEU 17 H LEU 17 -1.736 3.652 -8.835 131 HA LEU 17 HA LEU 17 0.296 4.939 -10.173 132 HB2 LEU 17 HB2 LEU 17 -0.240 2.131 -9.402 133 HB3 LEU 17 HB3 LEU 17 1.047 2.407 -10.574 134 HG LEU 17 HG LEU 17 2.347 3.602 -9.031 135 HD11 LEU 17 HD11 LEU 17 1.274 3.990 -6.666 136 HD12 LEU 17 HD12 LEU 17 -0.230 3.964 -7.586 137 HD13 LEU 17 HD13 LEU 17 1.023 5.142 -7.977 138 HD21 LEU 17 HD21 LEU 17 2.734 1.451 -8.390 139 HD22 LEU 17 HD22 LEU 17 1.048 1.153 -7.968 140 HD23 LEU 17 HD23 LEU 17 2.079 2.081 -6.878 141 H SER 18 H SER 18 -2.058 2.635 -11.463 142 HA SER 18 HA SER 18 -0.960 2.412 -14.043 143 HB2 SER 18 HB2 SER 18 -2.522 0.765 -13.704 144 HB3 SER 18 HB3 SER 18 -3.599 1.825 -12.794 145 HG SER 18 HG SER 18 -4.666 1.762 -14.626 146 H VAL 19 H VAL 19 -3.636 4.443 -12.854 147 HA VAL 19 HA VAL 19 -4.275 5.776 -15.175 148 HB VAL 19 HB VAL 19 -4.217 6.906 -12.373 149 HG11 VAL 19 HG11 VAL 19 -5.627 7.907 -14.845 150 HG12 VAL 19 HG12 VAL 19 -5.866 8.530 -13.211 151 HG13 VAL 19 HG13 VAL 19 -4.298 8.701 -14.000 152 HG21 VAL 19 HG21 VAL 19 -6.210 5.925 -11.991 153 HG22 VAL 19 HG22 VAL 19 -6.757 6.145 -13.653 154 HG23 VAL 19 HG23 VAL 19 -5.680 4.809 -13.250 155 H LEU 20 H LEU 20 -1.650 6.456 -12.913 156 HA LEU 20 HA LEU 20 -0.818 8.886 -14.095 157 HB2 LEU 20 HB2 LEU 20 -0.032 8.562 -11.942 158 HB3 LEU 20 HB3 LEU 20 0.437 6.893 -12.258 159 HG LEU 20 HG LEU 20 2.383 7.621 -13.479 160 HD11 LEU 20 HD11 LEU 20 2.953 9.956 -13.752 161 HD12 LEU 20 HD12 LEU 20 1.470 10.442 -12.931 162 HD13 LEU 20 HD13 LEU 20 1.387 9.629 -14.494 163 HD21 LEU 20 HD21 LEU 20 3.445 7.740 -11.537 164 HD22 LEU 20 HD22 LEU 20 1.922 8.113 -10.729 165 HD23 LEU 20 HD23 LEU 20 2.938 9.418 -11.344 166 H VAL 21 H VAL 21 0.686 5.652 -14.270 167 HA VAL 21 HA VAL 21 2.597 6.190 -16.183 168 HB VAL 21 HB VAL 21 1.055 3.601 -16.027 169 HG11 VAL 21 HG11 VAL 21 3.774 4.364 -17.049 170 HG12 VAL 21 HG12 VAL 21 3.362 2.699 -16.631 171 HG13 VAL 21 HG13 VAL 21 2.469 3.539 -17.901 172 HG21 VAL 21 HG21 VAL 21 1.779 3.366 -13.939 173 HG22 VAL 21 HG22 VAL 21 3.433 3.401 -14.549 174 HG23 VAL 21 HG23 VAL 21 2.654 4.894 -14.025 175 H VAL 22 H VAL 22 -0.719 5.013 -16.727 176 HA VAL 22 HA VAL 22 -0.668 4.825 -19.487 177 HB VAL 22 HB VAL 22 -2.941 5.591 -17.657 178 HG11 VAL 22 HG11 VAL 22 -4.418 4.987 -19.570 179 HG12 VAL 22 HG12 VAL 22 -3.488 6.465 -19.821 180 HG13 VAL 22 HG13 VAL 22 -2.991 4.965 -20.605 181 HG21 VAL 22 HG21 VAL 22 -1.699 3.249 -17.747 182 HG22 VAL 22 HG22 VAL 22 -3.444 3.370 -17.523 183 HG23 VAL 22 HG23 VAL 22 -2.783 3.011 -19.118 184 H SER 23 H SER 23 -1.729 7.624 -17.547 185 HA SER 23 HA SER 23 -2.245 9.366 -19.649 186 HB2 SER 23 HB2 SER 23 -2.832 9.764 -17.251 187 HB3 SER 23 HB3 SER 23 -1.137 10.138 -16.940 188 HG SER 23 HG SER 23 -3.083 11.639 -18.198 189 H VAL 24 H VAL 24 0.702 9.338 -17.634 190 HA VAL 24 HA VAL 24 2.213 11.128 -19.076 191 HB VAL 24 HB VAL 24 3.211 8.646 -17.671 192 HG11 VAL 24 HG11 VAL 24 5.301 10.080 -17.421 193 HG12 VAL 24 HG12 VAL 24 4.988 9.395 -19.017 194 HG13 VAL 24 HG13 VAL 24 4.624 11.091 -18.698 195 HG21 VAL 24 HG21 VAL 24 1.801 10.341 -16.377 196 HG22 VAL 24 HG22 VAL 24 3.379 9.922 -15.710 197 HG23 VAL 24 HG23 VAL 24 3.164 11.443 -16.577 198 H VAL 25 H VAL 25 1.803 7.661 -19.644 199 HA VAL 25 HA VAL 25 3.712 7.276 -21.621 200 HB VAL 25 HB VAL 25 1.117 5.949 -20.983 201 HG11 VAL 25 HG11 VAL 25 1.750 4.301 -22.872 202 HG12 VAL 25 HG12 VAL 25 0.892 5.786 -23.289 203 HG13 VAL 25 HG13 VAL 25 2.633 5.668 -23.550 204 HG21 VAL 25 HG21 VAL 25 2.422 4.355 -20.086 205 HG22 VAL 25 HG22 VAL 25 3.569 4.396 -21.425 206 HG23 VAL 25 HG23 VAL 25 3.676 5.594 -20.135 207 H ALA 26 H ALA 26 0.233 7.858 -22.174 208 HA ALA 26 HA ALA 26 0.479 8.299 -24.941 209 HB1 ALA 26 HB1 ALA 26 -1.781 8.997 -24.901 210 HB2 ALA 26 HB2 ALA 26 -1.627 7.751 -23.661 211 HB3 ALA 26 HB3 ALA 26 -1.686 9.453 -23.199 212 H VAL 27 H VAL 27 0.684 10.466 -22.182 213 HA VAL 27 HA VAL 27 0.444 12.934 -23.389 214 HB VAL 27 HB VAL 27 2.183 12.041 -21.100 215 HG11 VAL 27 HG11 VAL 27 1.850 14.815 -22.225 216 HG12 VAL 27 HG12 VAL 27 2.446 14.486 -20.597 217 HG13 VAL 27 HG13 VAL 27 3.348 13.912 -22.000 218 HG21 VAL 27 HG21 VAL 27 0.003 13.993 -20.757 219 HG22 VAL 27 HG22 VAL 27 -0.492 12.366 -21.222 220 HG23 VAL 27 HG23 VAL 27 0.460 12.613 -19.759 221 H LEU 28 H LEU 28 3.527 11.233 -22.789 222 HA LEU 28 HA LEU 28 5.073 12.992 -24.365 223 HB2 LEU 28 HB2 LEU 28 5.613 10.148 -23.527 224 HB3 LEU 28 HB3 LEU 28 6.805 11.233 -24.238 225 HG LEU 28 HG LEU 28 5.570 12.390 -21.884 226 HD11 LEU 28 HD11 LEU 28 6.150 10.897 -20.231 227 HD12 LEU 28 HD12 LEU 28 7.274 10.018 -21.268 228 HD13 LEU 28 HD13 LEU 28 5.535 9.817 -21.483 229 HD21 LEU 28 HD21 LEU 28 8.436 11.628 -22.402 230 HD22 LEU 28 HD22 LEU 28 7.827 12.872 -21.310 231 HD23 LEU 28 HD23 LEU 28 7.680 13.081 -23.056 232 H VAL 29 H VAL 29 3.318 10.050 -25.094 233 HA VAL 29 HA VAL 29 4.431 9.380 -27.551 234 HB VAL 29 HB VAL 29 1.629 9.062 -26.497 235 HG11 VAL 29 HG11 VAL 29 0.993 8.873 -28.647 236 HG12 VAL 29 HG12 VAL 29 2.644 8.639 -29.224 237 HG13 VAL 29 HG13 VAL 29 1.749 7.284 -28.535 238 HG21 VAL 29 HG21 VAL 29 3.206 6.699 -27.144 239 HG22 VAL 29 HG22 VAL 29 3.969 7.731 -25.935 240 HG23 VAL 29 HG23 VAL 29 2.340 7.112 -25.664 241 H TYR 30 H TYR 30 1.670 11.525 -26.881 242 HA TYR 30 HA TYR 30 1.512 12.334 -29.652 243 HB2 TYR 30 HB2 TYR 30 -0.497 12.080 -28.158 244 HB3 TYR 30 HB3 TYR 30 0.047 13.507 -27.282 245 HD1 TYR 30 HD1 TYR 30 -0.766 15.575 -27.924 246 HD2 TYR 30 HD2 TYR 30 -0.746 12.406 -30.764 247 HE1 TYR 30 HE1 TYR 30 -1.943 17.016 -29.532 248 HE2 TYR 30 HE2 TYR 30 -1.922 13.839 -32.380 249 HH TYR 30 HH TYR 30 -3.118 15.770 -32.599 250 H LYS 31 H LYS 31 2.401 13.828 -26.559 251 HA LYS 31 HA LYS 31 2.936 16.402 -27.470 252 HB2 LYS 31 HB2 LYS 31 2.847 15.872 -25.102 253 HB3 LYS 31 HB3 LYS 31 4.264 14.840 -25.247 254 HG2 LYS 31 HG2 LYS 31 5.301 17.123 -26.173 255 HG3 LYS 31 HG3 LYS 31 4.062 17.781 -25.102 256 HD2 LYS 31 HD2 LYS 31 6.126 17.545 -23.878 257 HD3 LYS 31 HD3 LYS 31 4.956 16.371 -23.272 258 HE2 LYS 31 HE2 LYS 31 6.174 14.610 -23.972 259 HE3 LYS 31 HE3 LYS 31 6.656 15.410 -25.467 260 HZ1 LYS 31 HZ1 LYS 31 8.007 15.303 -22.909 261 HZ2 LYS 31 HZ2 LYS 31 8.013 16.824 -23.650 262 HZ3 LYS 31 HZ3 LYS 31 8.646 15.484 -24.466 263 H PHE 32 H PHE 32 5.312 13.794 -26.920 264 HA PHE 32 HA PHE 32 7.446 15.161 -28.168 265 HB2 PHE 32 HB2 PHE 32 7.465 13.115 -26.548 266 HB3 PHE 32 HB3 PHE 32 7.322 12.167 -28.024 267 HD1 PHE 32 HD1 PHE 32 9.093 12.379 -29.782 268 HD2 PHE 32 HD2 PHE 32 9.520 14.035 -25.884 269 HE1 PHE 32 HE1 PHE 32 11.527 12.526 -30.115 270 HE2 PHE 32 HE2 PHE 32 11.953 14.186 -26.211 271 HZ PHE 32 HZ PHE 32 12.960 13.432 -28.328 272 H TYR 33 H TYR 33 4.811 13.334 -29.407 273 HA TYR 33 HA TYR 33 5.678 12.227 -31.733 274 HB2 TYR 33 HB2 TYR 33 3.242 12.653 -30.700 275 HB3 TYR 33 HB3 TYR 33 3.216 13.878 -31.964 276 HD1 TYR 33 HD1 TYR 33 4.085 12.973 -34.330 277 HD2 TYR 33 HD2 TYR 33 2.437 10.561 -31.236 278 HE1 TYR 33 HE1 TYR 33 3.498 11.255 -35.990 279 HE2 TYR 33 HE2 TYR 33 1.848 8.836 -32.887 280 HH TYR 33 HH TYR 33 1.375 9.048 -35.679 281 H PHE 34 H PHE 34 4.983 15.654 -31.176 282 HA PHE 34 HA PHE 34 5.283 16.612 -33.760 283 HB2 PHE 34 HB2 PHE 34 4.706 17.792 -31.444 284 HB3 PHE 34 HB3 PHE 34 6.409 18.232 -31.526 285 HD1 PHE 34 HD1 PHE 34 7.108 20.030 -32.827 286 HD2 PHE 34 HD2 PHE 34 3.227 18.389 -33.425 287 HE1 PHE 34 HE1 PHE 34 6.554 21.897 -34.332 288 HE2 PHE 34 HE2 PHE 34 2.667 20.252 -34.931 289 HZ PHE 34 HZ PHE 34 4.332 22.009 -35.387 290 H HIS 35 H HIS 35 7.776 16.224 -31.252 291 HA HIS 35 HA HIS 35 9.966 17.216 -32.582 292 HB2 HIS 35 HB2 HIS 35 9.761 14.877 -30.684 293 HB3 HIS 35 HB3 HIS 35 11.299 15.528 -31.242 294 HD1 HIS 35 HD1 HIS 35 9.330 15.672 -28.395 295 HD2 HIS 35 HD2 HIS 35 11.110 18.611 -30.731 296 HE1 HIS 35 HE1 HIS 35 9.499 17.697 -26.914 297 H LEU 36 H LEU 36 8.568 13.970 -32.826 298 HA LEU 36 HA LEU 36 10.463 12.728 -34.397 299 HB2 LEU 36 HB2 LEU 36 7.474 12.441 -34.656 300 HB3 LEU 36 HB3 LEU 36 8.686 11.276 -35.186 301 HG LEU 36 HG LEU 36 8.307 12.059 -32.302 302 HD11 LEU 36 HD11 LEU 36 7.273 9.517 -33.493 303 HD12 LEU 36 HD12 LEU 36 6.286 10.979 -33.497 304 HD13 LEU 36 HD13 LEU 36 6.843 10.296 -31.970 305 HD21 LEU 36 HD21 LEU 36 10.434 11.102 -32.619 306 HD22 LEU 36 HD22 LEU 36 9.813 9.888 -33.737 307 HD23 LEU 36 HD23 LEU 36 9.417 9.791 -32.021 308 H MET 37 H MET 37 7.533 14.365 -35.616 309 HA MET 37 HA MET 37 8.149 14.243 -38.318 310 HB2 MET 37 HB2 MET 37 6.383 15.908 -36.628 311 HB3 MET 37 HB3 MET 37 6.786 16.577 -38.203 312 HG2 MET 37 HG2 MET 37 5.724 14.880 -39.346 313 HG3 MET 37 HG3 MET 37 5.825 13.762 -37.988 314 HE1 MET 37 HE1 MET 37 3.069 14.678 -35.649 315 HE2 MET 37 HE2 MET 37 4.740 14.137 -35.814 316 HE3 MET 37 HE3 MET 37 4.389 15.840 -35.511 317 H LEU 38 H LEU 38 9.046 16.683 -35.918 318 HA LEU 38 HA LEU 38 10.240 18.514 -37.682 319 HB2 LEU 38 HB2 LEU 38 10.370 17.969 -34.770 320 HB3 LEU 38 HB3 LEU 38 11.649 18.961 -35.467 321 HG LEU 38 HG LEU 38 9.834 20.300 -34.487 322 HD11 LEU 38 HD11 LEU 38 9.472 21.767 -36.420 323 HD12 LEU 38 HD12 LEU 38 10.071 20.496 -37.486 324 HD13 LEU 38 HD13 LEU 38 11.149 21.232 -36.300 325 HD21 LEU 38 HD21 LEU 38 8.169 18.849 -36.530 326 HD22 LEU 38 HD22 LEU 38 7.670 20.371 -35.791 327 HD23 LEU 38 HD23 LEU 38 7.922 18.942 -34.786 328 H LEU 39 H LEU 39 11.495 15.654 -36.059 329 HA LEU 39 HA LEU 39 14.207 16.104 -36.881 330 HB2 LEU 39 HB2 LEU 39 12.714 13.978 -35.454 331 HB3 LEU 39 HB3 LEU 39 14.219 13.513 -36.245 332 HG LEU 39 HG LEU 39 14.607 13.999 -33.905 333 HD11 LEU 39 HD11 LEU 39 16.026 15.034 -36.028 334 HD12 LEU 39 HD12 LEU 39 16.585 14.914 -34.360 335 HD13 LEU 39 HD13 LEU 39 15.851 16.410 -34.939 336 HD21 LEU 39 HD21 LEU 39 14.349 16.422 -33.170 337 HD22 LEU 39 HD22 LEU 39 12.873 15.465 -33.303 338 HD23 LEU 39 HD23 LEU 39 13.295 16.619 -34.570 339 H ALA 40 H ALA 40 11.468 14.250 -38.069 340 HA ALA 40 HA ALA 40 12.814 12.686 -39.972 341 HB1 ALA 40 HB1 ALA 40 10.066 13.640 -40.569 342 HB2 ALA 40 HB2 ALA 40 10.751 12.018 -40.675 343 HB3 ALA 40 HB3 ALA 40 10.314 12.689 -39.104 344 H GLY 41 H GLY 41 11.131 15.808 -40.350 345 HA2 GLY 41 HA2 GLY 41 12.212 16.078 -43.046 346 HA3 GLY 41 HA3 GLY 41 11.044 17.145 -42.280 347 H CYS 42 H CYS 42 13.986 16.208 -40.663 348 HA CYS 42 HA CYS 42 14.774 18.974 -40.454 349 HB2 CYS 42 HB2 CYS 42 14.968 17.248 -38.599 350 HB3 CYS 42 HB3 CYS 42 16.323 16.569 -39.493 351 HG CYS 42 HG CYS 42 16.388 19.867 -38.690 352 H ILE 43 H ILE 43 15.729 16.160 -42.275 353 HA ILE 43 HA ILE 43 18.106 17.512 -43.302 354 HB ILE 43 HB ILE 43 17.084 14.723 -43.852 355 HG12 ILE 43 HG12 ILE 43 19.444 15.568 -42.165 356 HG13 ILE 43 HG13 ILE 43 17.855 15.219 -41.495 357 HG21 ILE 43 HG21 ILE 43 18.404 15.015 -45.668 358 HG22 ILE 43 HG22 ILE 43 19.336 16.310 -44.919 359 HG23 ILE 43 HG23 ILE 43 19.676 14.628 -44.510 360 HD11 ILE 43 HD11 ILE 43 19.957 13.426 -42.077 361 HD12 ILE 43 HD12 ILE 43 18.363 13.074 -41.409 362 HD13 ILE 43 HD13 ILE 43 18.614 13.048 -43.155 363 H LYS 44 H LYS 44 17.716 18.920 -44.886 364 HA LYS 44 HA LYS 44 15.659 18.296 -46.883 365 HB2 LYS 44 HB2 LYS 44 17.117 20.901 -46.409 366 HB3 LYS 44 HB3 LYS 44 15.753 20.651 -47.490 367 HG2 LYS 44 HG2 LYS 44 14.503 19.893 -45.362 368 HG3 LYS 44 HG3 LYS 44 15.805 20.718 -44.502 369 HD2 LYS 44 HD2 LYS 44 15.232 22.801 -45.393 370 HD3 LYS 44 HD3 LYS 44 14.286 22.084 -46.699 371 HE2 LYS 44 HE2 LYS 44 12.565 21.420 -45.171 372 HE3 LYS 44 HE3 LYS 44 13.545 21.895 -43.784 373 HZ1 LYS 44 HZ1 LYS 44 12.866 23.987 -43.965 374 HZ2 LYS 44 HZ2 LYS 44 11.700 23.448 -45.065 375 HZ3 LYS 44 HZ3 LYS 44 13.179 24.045 -45.627 376 H TYR 45 H TYR 45 16.108 18.539 -49.128 377 HA TYR 45 HA TYR 45 18.604 17.449 -49.913 378 HB2 TYR 45 HB2 TYR 45 16.175 18.439 -51.343 379 HB3 TYR 45 HB3 TYR 45 17.650 18.177 -52.267 380 HD1 TYR 45 HD1 TYR 45 17.460 16.226 -53.483 381 HD2 TYR 45 HD2 TYR 45 16.042 16.284 -49.472 382 HE1 TYR 45 HE1 TYR 45 16.941 13.826 -53.638 383 HE2 TYR 45 HE2 TYR 45 15.521 13.884 -49.615 384 HH TYR 45 HH TYR 45 15.943 11.978 -50.842 385 H GLY 46 H GLY 46 20.084 18.412 -51.498 386 HA2 GLY 46 HA2 GLY 46 21.126 20.271 -52.524 387 HA3 GLY 46 HA3 GLY 46 20.163 21.338 -51.512 388 H ARG 47 H ARG 47 23.035 19.373 -51.704 389 HA ARG 47 HA ARG 47 23.892 19.795 -49.019 390 HB2 ARG 47 HB2 ARG 47 25.484 19.027 -51.474 391 HB3 ARG 47 HB3 ARG 47 26.067 18.942 -49.817 392 HG2 ARG 47 HG2 ARG 47 23.656 17.431 -50.785 393 HG3 ARG 47 HG3 ARG 47 25.294 16.775 -50.824 394 HD2 ARG 47 HD2 ARG 47 25.278 17.520 -48.293 395 HD3 ARG 47 HD3 ARG 47 23.533 17.371 -48.499 396 HE ARG 47 HE ARG 47 23.781 15.104 -48.488 397 HH11 ARG 47 HH11 ARG 47 26.856 16.556 -49.231 398 HH12 ARG 47 HH12 ARG 47 27.720 15.055 -49.197 399 HH21 ARG 47 HH21 ARG 47 24.907 13.121 -48.440 400 HH22 ARG 47 HH22 ARG 47 26.611 13.102 -48.748 401 H GLY 48 H GLY 48 24.219 21.810 -48.301 402 HA2 GLY 48 HA2 GLY 48 25.288 23.863 -50.052 403 HA3 GLY 48 HA3 GLY 48 24.758 24.078 -48.390 Start of MODEL 4 1 H1 MET 1 H MET 1 4.847 -8.567 5.752 2 HA MET 1 HA MET 1 3.570 -5.959 6.019 3 HB2 MET 1 HB2 MET 1 4.793 -7.276 3.588 4 HB3 MET 1 HB3 MET 1 4.249 -5.607 3.695 5 HG2 MET 1 HG2 MET 1 5.969 -5.063 5.245 6 HG3 MET 1 HG3 MET 1 6.418 -6.758 5.426 7 HE1 MET 1 HE1 MET 1 9.423 -5.154 4.055 8 HE2 MET 1 HE2 MET 1 8.590 -6.021 5.344 9 HE3 MET 1 HE3 MET 1 9.283 -6.911 3.987 10 H ASN 2 H ASN 2 1.611 -5.425 5.170 11 HA ASN 2 HA ASN 2 0.004 -7.654 4.122 12 HB2 ASN 2 HB2 ASN 2 -0.895 -5.091 5.457 13 HB3 ASN 2 HB3 ASN 2 -1.961 -6.368 4.880 14 HD21 ASN 2 HD21 ASN 2 0.317 -5.410 7.306 15 HD22 ASN 2 HD22 ASN 2 0.005 -6.706 8.405 16 H ILE 3 H ILE 3 1.595 -6.593 2.247 17 HA ILE 3 HA ILE 3 -0.210 -4.875 0.671 18 HB ILE 3 HB ILE 3 2.712 -4.947 0.078 19 HG12 ILE 3 HG12 ILE 3 2.671 -4.544 2.478 20 HG13 ILE 3 HG13 ILE 3 3.073 -3.052 1.634 21 HG21 ILE 3 HG21 ILE 3 1.835 -2.382 -0.182 22 HG22 ILE 3 HG22 ILE 3 1.853 -3.579 -1.476 23 HG23 ILE 3 HG23 ILE 3 0.376 -3.300 -0.555 24 HD11 ILE 3 HD11 ILE 3 0.249 -3.191 1.976 25 HD12 ILE 3 HD12 ILE 3 1.042 -3.490 3.523 26 HD13 ILE 3 HD13 ILE 3 1.394 -2.016 2.622 27 H THR 4 H THR 4 0.166 -5.093 -1.728 28 HA THR 4 HA THR 4 0.163 -6.347 -3.629 29 HB THR 4 HB THR 4 1.905 -8.364 -2.220 30 HG1 THR 4 HG1 THR 4 3.223 -6.718 -1.953 31 HG21 THR 4 HG21 THR 4 2.795 -7.950 -4.810 32 HG22 THR 4 HG22 THR 4 1.038 -7.880 -4.952 33 HG23 THR 4 HG23 THR 4 1.810 -9.301 -4.250 34 H SER 5 H SER 5 -2.046 -6.651 -2.152 35 HA SER 5 HA SER 5 -2.681 -9.496 -2.507 36 HB2 SER 5 HB2 SER 5 -2.309 -8.762 -0.044 37 HB3 SER 5 HB3 SER 5 -3.863 -7.946 -0.216 38 HG SER 5 HG SER 5 -3.522 -10.670 -0.886 39 H GLN 6 H GLN 6 -5.321 -9.482 -1.868 40 HA GLN 6 HA GLN 6 -6.429 -7.751 -3.958 41 HB2 GLN 6 HB2 GLN 6 -6.683 -10.354 -3.857 42 HB3 GLN 6 HB3 GLN 6 -7.944 -9.999 -2.684 43 HG2 GLN 6 HG2 GLN 6 -9.153 -10.112 -4.621 44 HG3 GLN 6 HG3 GLN 6 -8.820 -8.384 -4.526 45 HE21 GLN 6 HE21 GLN 6 -9.465 -9.867 -6.872 46 HE22 GLN 6 HE22 GLN 6 -8.117 -9.746 -7.946 47 H MET 7 H MET 7 -5.873 -6.521 -1.521 48 HA MET 7 HA MET 7 -8.467 -6.280 -0.180 49 HB2 MET 7 HB2 MET 7 -7.332 -5.277 1.637 50 HB3 MET 7 HB3 MET 7 -6.317 -6.620 1.127 51 HG2 MET 7 HG2 MET 7 -5.353 -4.521 -0.359 52 HG3 MET 7 HG3 MET 7 -5.760 -3.769 1.181 53 HE1 MET 7 HE1 MET 7 -2.122 -3.931 1.104 54 HE2 MET 7 HE2 MET 7 -2.180 -5.210 -0.110 55 HE3 MET 7 HE3 MET 7 -3.257 -3.818 -0.243 56 H ASN 8 H ASN 8 -9.153 -4.050 0.441 57 HA ASN 8 HA ASN 8 -9.661 -2.466 -1.746 58 HB2 ASN 8 HB2 ASN 8 -10.656 -2.399 0.653 59 HB3 ASN 8 HB3 ASN 8 -9.374 -1.237 0.982 60 HD21 ASN 8 HD21 ASN 8 -9.787 0.813 0.577 61 HD22 ASN 8 HD22 ASN 8 -11.065 1.412 -0.420 62 H LYS 9 H LYS 9 -7.020 -2.153 0.593 63 HA LYS 9 HA LYS 9 -5.899 0.230 -0.179 64 HB2 LYS 9 HB2 LYS 9 -5.178 -1.516 1.631 65 HB3 LYS 9 HB3 LYS 9 -4.122 -2.123 0.363 66 HG2 LYS 9 HG2 LYS 9 -4.128 0.766 1.166 67 HG3 LYS 9 HG3 LYS 9 -3.150 -0.439 2.006 68 HD2 LYS 9 HD2 LYS 9 -2.303 -1.058 -0.358 69 HD3 LYS 9 HD3 LYS 9 -2.953 0.514 -0.830 70 HE2 LYS 9 HE2 LYS 9 -0.739 0.993 -0.316 71 HE3 LYS 9 HE3 LYS 9 -1.593 1.422 1.166 72 HZ1 LYS 9 HZ1 LYS 9 -0.581 -0.194 2.308 73 HZ2 LYS 9 HZ2 LYS 9 0.555 -0.183 1.055 74 HZ3 LYS 9 HZ3 LYS 9 -0.697 -1.320 1.051 75 H THR 10 H THR 10 -5.089 -2.976 -1.513 76 HA THR 10 HA THR 10 -3.283 -2.180 -3.448 77 HB THR 10 HB THR 10 -4.874 -4.266 -4.570 78 HG1 THR 10 HG1 THR 10 -5.775 -4.890 -2.714 79 HG21 THR 10 HG21 THR 10 -2.883 -5.414 -4.587 80 HG22 THR 10 HG22 THR 10 -2.393 -4.802 -3.007 81 HG23 THR 10 HG23 THR 10 -2.291 -3.761 -4.427 82 H ILE 11 H ILE 11 -6.813 -2.300 -3.626 83 HA ILE 11 HA ILE 11 -7.139 -1.757 -6.337 84 HB ILE 11 HB ILE 11 -8.906 -0.836 -4.067 85 HG12 ILE 11 HG12 ILE 11 -9.230 -3.298 -5.781 86 HG13 ILE 11 HG13 ILE 11 -8.381 -3.324 -4.239 87 HG21 ILE 11 HG21 ILE 11 -9.068 -0.512 -6.941 88 HG22 ILE 11 HG22 ILE 11 -10.470 -1.361 -6.290 89 HG23 ILE 11 HG23 ILE 11 -10.033 0.229 -5.665 90 HD11 ILE 11 HD11 ILE 11 -10.860 -2.058 -3.798 91 HD12 ILE 11 HD12 ILE 11 -11.168 -3.512 -4.749 92 HD13 ILE 11 HD13 ILE 11 -10.309 -3.628 -3.213 93 H ILE 12 H ILE 12 -6.564 0.424 -3.631 94 HA ILE 12 HA ILE 12 -6.970 2.823 -5.120 95 HB ILE 12 HB ILE 12 -5.254 2.673 -2.663 96 HG12 ILE 12 HG12 ILE 12 -8.257 2.423 -2.838 97 HG13 ILE 12 HG13 ILE 12 -7.128 1.331 -2.043 98 HG21 ILE 12 HG21 ILE 12 -7.272 4.724 -3.556 99 HG22 ILE 12 HG22 ILE 12 -6.113 4.869 -2.236 100 HG23 ILE 12 HG23 ILE 12 -5.546 4.810 -3.905 101 HD11 ILE 12 HD11 ILE 12 -8.091 2.479 -0.286 102 HD12 ILE 12 HD12 ILE 12 -6.583 3.355 -0.547 103 HD13 ILE 12 HD13 ILE 12 -8.101 4.011 -1.158 104 H GLY 13 H GLY 13 -3.996 1.313 -3.836 105 HA2 GLY 13 HA2 GLY 13 -2.167 3.009 -5.066 106 HA3 GLY 13 HA3 GLY 13 -1.836 1.344 -4.611 107 H VAL 14 H VAL 14 -3.326 -0.148 -6.252 108 HA VAL 14 HA VAL 14 -1.905 -0.167 -8.649 109 HB VAL 14 HB VAL 14 -4.613 -1.379 -8.077 110 HG11 VAL 14 HG11 VAL 14 -3.904 -2.970 -9.922 111 HG12 VAL 14 HG12 VAL 14 -4.378 -1.346 -10.425 112 HG13 VAL 14 HG13 VAL 14 -2.671 -1.780 -10.338 113 HG21 VAL 14 HG21 VAL 14 -1.965 -2.793 -8.074 114 HG22 VAL 14 HG22 VAL 14 -2.600 -2.013 -6.626 115 HG23 VAL 14 HG23 VAL 14 -3.501 -3.323 -7.389 116 H SER 15 H SER 15 -5.210 0.984 -8.009 117 HA SER 15 HA SER 15 -5.865 1.756 -10.602 118 HB2 SER 15 HB2 SER 15 -7.511 1.648 -8.782 119 HB3 SER 15 HB3 SER 15 -6.744 3.029 -7.998 120 HG SER 15 HG SER 15 -8.644 3.472 -9.360 121 H VAL 16 H VAL 16 -4.124 3.498 -8.078 122 HA VAL 16 HA VAL 16 -3.982 5.972 -9.478 123 HB VAL 16 HB VAL 16 -2.233 4.918 -7.250 124 HG11 VAL 16 HG11 VAL 16 -2.448 7.611 -8.554 125 HG12 VAL 16 HG12 VAL 16 -1.879 7.434 -6.893 126 HG13 VAL 16 HG13 VAL 16 -1.005 6.656 -8.213 127 HG21 VAL 16 HG21 VAL 16 -4.141 7.031 -6.636 128 HG22 VAL 16 HG22 VAL 16 -4.913 5.539 -7.171 129 HG23 VAL 16 HG23 VAL 16 -3.817 5.518 -5.790 130 H LEU 17 H LEU 17 -1.560 3.418 -8.897 131 HA LEU 17 HA LEU 17 0.537 4.458 -10.346 132 HB2 LEU 17 HB2 LEU 17 -0.340 1.726 -9.614 133 HB3 LEU 17 HB3 LEU 17 0.887 1.862 -10.872 134 HG LEU 17 HG LEU 17 2.447 2.820 -9.396 135 HD11 LEU 17 HD11 LEU 17 0.051 3.447 -7.751 136 HD12 LEU 17 HD12 LEU 17 1.430 4.460 -8.175 137 HD13 LEU 17 HD13 LEU 17 1.598 3.216 -6.937 138 HD21 LEU 17 HD21 LEU 17 0.906 0.527 -8.285 139 HD22 LEU 17 HD22 LEU 17 2.186 1.244 -7.307 140 HD23 LEU 17 HD23 LEU 17 2.557 0.587 -8.901 141 H SER 18 H SER 18 -2.219 2.579 -11.518 142 HA SER 18 HA SER 18 -1.338 2.309 -14.183 143 HB2 SER 18 HB2 SER 18 -3.944 2.119 -14.558 144 HB3 SER 18 HB3 SER 18 -3.070 0.855 -13.695 145 HG SER 18 HG SER 18 -5.076 2.355 -12.817 146 H VAL 19 H VAL 19 -3.637 4.609 -12.724 147 HA VAL 19 HA VAL 19 -4.266 6.111 -14.941 148 HB VAL 19 HB VAL 19 -3.859 7.090 -12.113 149 HG11 VAL 19 HG11 VAL 19 -5.331 8.960 -12.769 150 HG12 VAL 19 HG12 VAL 19 -3.794 8.967 -13.635 151 HG13 VAL 19 HG13 VAL 19 -5.259 8.402 -14.440 152 HG21 VAL 19 HG21 VAL 19 -6.546 6.709 -13.288 153 HG22 VAL 19 HG22 VAL 19 -5.634 5.249 -12.904 154 HG23 VAL 19 HG23 VAL 19 -5.977 6.432 -11.642 155 H LEU 20 H LEU 20 -1.392 6.306 -12.911 156 HA LEU 20 HA LEU 20 -0.346 8.675 -14.065 157 HB2 LEU 20 HB2 LEU 20 0.552 8.161 -11.994 158 HB3 LEU 20 HB3 LEU 20 0.770 6.460 -12.400 159 HG LEU 20 HG LEU 20 2.696 6.981 -13.752 160 HD11 LEU 20 HD11 LEU 20 1.901 9.143 -14.617 161 HD12 LEU 20 HD12 LEU 20 3.549 9.230 -13.996 162 HD13 LEU 20 HD13 LEU 20 2.213 9.870 -13.041 163 HD21 LEU 20 HD21 LEU 20 3.020 6.681 -11.336 164 HD22 LEU 20 HD22 LEU 20 2.846 8.421 -11.105 165 HD23 LEU 20 HD23 LEU 20 4.207 7.785 -12.031 166 H VAL 21 H VAL 21 0.697 5.283 -14.464 167 HA VAL 21 HA VAL 21 2.510 5.650 -16.509 168 HB VAL 21 HB VAL 21 0.657 3.276 -16.306 169 HG11 VAL 21 HG11 VAL 21 2.521 2.046 -17.277 170 HG12 VAL 21 HG12 VAL 21 2.034 3.375 -18.331 171 HG13 VAL 21 HG13 VAL 21 3.482 3.523 -17.335 172 HG21 VAL 21 HG21 VAL 21 2.562 4.270 -14.406 173 HG22 VAL 21 HG22 VAL 21 1.505 2.863 -14.293 174 HG23 VAL 21 HG23 VAL 21 3.097 2.713 -15.037 175 H VAL 22 H VAL 22 -0.970 4.963 -16.805 176 HA VAL 22 HA VAL 22 -1.162 4.868 -19.566 177 HB VAL 22 HB VAL 22 -3.155 5.869 -17.534 178 HG11 VAL 22 HG11 VAL 22 -3.743 6.886 -19.624 179 HG12 VAL 22 HG12 VAL 22 -3.525 5.360 -20.483 180 HG13 VAL 22 HG13 VAL 22 -4.848 5.544 -19.331 181 HG21 VAL 22 HG21 VAL 22 -3.117 3.285 -19.080 182 HG22 VAL 22 HG22 VAL 22 -2.416 3.468 -17.472 183 HG23 VAL 22 HG23 VAL 22 -4.146 3.711 -17.713 184 H SER 23 H SER 23 -1.676 7.710 -17.472 185 HA SER 23 HA SER 23 -2.102 9.583 -19.481 186 HB2 SER 23 HB2 SER 23 -2.540 10.122 -17.160 187 HB3 SER 23 HB3 SER 23 -0.833 9.945 -16.756 188 HG SER 23 HG SER 23 -1.962 12.146 -17.374 189 H VAL 24 H VAL 24 0.952 9.084 -17.700 190 HA VAL 24 HA VAL 24 2.586 10.707 -19.205 191 HB VAL 24 HB VAL 24 3.333 8.063 -17.948 192 HG11 VAL 24 HG11 VAL 24 5.149 8.519 -19.293 193 HG12 VAL 24 HG12 VAL 24 4.948 10.267 -19.155 194 HG13 VAL 24 HG13 VAL 24 5.599 9.343 -17.801 195 HG21 VAL 24 HG21 VAL 24 2.272 9.834 -16.479 196 HG22 VAL 24 HG22 VAL 24 3.865 9.262 -15.983 197 HG23 VAL 24 HG23 VAL 24 3.701 10.818 -16.797 198 H VAL 25 H VAL 25 1.660 7.353 -19.836 199 HA VAL 25 HA VAL 25 3.351 6.789 -21.964 200 HB VAL 25 HB VAL 25 0.652 5.800 -21.166 201 HG11 VAL 25 HG11 VAL 25 0.919 4.152 -23.140 202 HG12 VAL 25 HG12 VAL 25 0.242 5.752 -23.451 203 HG13 VAL 25 HG13 VAL 25 1.928 5.414 -23.846 204 HG21 VAL 25 HG21 VAL 25 3.290 5.057 -20.677 205 HG22 VAL 25 HG22 VAL 25 1.839 4.135 -20.282 206 HG23 VAL 25 HG23 VAL 25 2.680 3.845 -21.805 207 H ALA 26 H ALA 26 -0.049 7.848 -22.233 208 HA ALA 26 HA ALA 26 0.053 8.358 -24.995 209 HB1 ALA 26 HB1 ALA 26 -2.009 8.049 -23.574 210 HB2 ALA 26 HB2 ALA 26 -1.800 9.723 -23.058 211 HB3 ALA 26 HB3 ALA 26 -2.081 9.352 -24.759 212 H VAL 27 H VAL 27 0.756 10.371 -22.204 213 HA VAL 27 HA VAL 27 0.768 12.893 -23.321 214 HB VAL 27 HB VAL 27 2.530 11.688 -21.199 215 HG11 VAL 27 HG11 VAL 27 2.504 14.522 -22.220 216 HG12 VAL 27 HG12 VAL 27 3.166 14.054 -20.652 217 HG13 VAL 27 HG13 VAL 27 3.874 13.416 -22.136 218 HG21 VAL 27 HG21 VAL 27 0.972 12.371 -19.737 219 HG22 VAL 27 HG22 VAL 27 0.722 13.906 -20.570 220 HG23 VAL 27 HG23 VAL 27 -0.089 12.448 -21.144 221 H LEU 28 H LEU 28 3.629 10.779 -23.004 222 HA LEU 28 HA LEU 28 5.279 12.370 -24.650 223 HB2 LEU 28 HB2 LEU 28 5.488 9.449 -23.937 224 HB3 LEU 28 HB3 LEU 28 6.762 10.396 -24.703 225 HG LEU 28 HG LEU 28 5.859 11.607 -22.227 226 HD11 LEU 28 HD11 LEU 28 6.359 9.985 -20.671 227 HD12 LEU 28 HD12 LEU 28 7.276 9.011 -21.820 228 HD13 LEU 28 HD13 LEU 28 5.515 9.048 -21.903 229 HD21 LEU 28 HD21 LEU 28 8.238 11.657 -21.780 230 HD22 LEU 28 HD22 LEU 28 7.928 12.158 -23.442 231 HD23 LEU 28 HD23 LEU 28 8.537 10.536 -23.108 232 H VAL 29 H VAL 29 3.093 9.715 -25.318 233 HA VAL 29 HA VAL 29 3.920 8.992 -27.870 234 HB VAL 29 HB VAL 29 1.185 9.017 -26.611 235 HG11 VAL 29 HG11 VAL 29 1.933 8.557 -29.418 236 HG12 VAL 29 HG12 VAL 29 0.906 7.316 -28.697 237 HG13 VAL 29 HG13 VAL 29 0.378 9.000 -28.713 238 HG21 VAL 29 HG21 VAL 29 3.217 7.422 -26.039 239 HG22 VAL 29 HG22 VAL 29 1.558 6.824 -26.090 240 HG23 VAL 29 HG23 VAL 29 2.631 6.565 -27.465 241 H TYR 30 H TYR 30 1.524 11.457 -26.938 242 HA TYR 30 HA TYR 30 1.282 12.382 -29.665 243 HB2 TYR 30 HB2 TYR 30 -0.561 12.337 -27.841 244 HB3 TYR 30 HB3 TYR 30 0.186 13.823 -27.266 245 HD1 TYR 30 HD1 TYR 30 -0.534 15.846 -28.135 246 HD2 TYR 30 HD2 TYR 30 -1.155 12.297 -30.399 247 HE1 TYR 30 HE1 TYR 30 -1.813 17.135 -29.794 248 HE2 TYR 30 HE2 TYR 30 -2.435 13.577 -32.065 249 HH TYR 30 HH TYR 30 -3.841 16.181 -31.699 250 H LYS 31 H LYS 31 2.582 13.636 -26.610 251 HA LYS 31 HA LYS 31 3.395 16.145 -27.487 252 HB2 LYS 31 HB2 LYS 31 3.414 15.536 -25.136 253 HB3 LYS 31 HB3 LYS 31 4.666 14.336 -25.426 254 HG2 LYS 31 HG2 LYS 31 5.925 16.499 -26.363 255 HG3 LYS 31 HG3 LYS 31 4.867 17.271 -25.179 256 HD2 LYS 31 HD2 LYS 31 6.968 16.720 -24.129 257 HD3 LYS 31 HD3 LYS 31 5.700 15.687 -23.466 258 HE2 LYS 31 HE2 LYS 31 6.617 13.811 -24.308 259 HE3 LYS 31 HE3 LYS 31 7.087 14.596 -25.815 260 HZ1 LYS 31 HZ1 LYS 31 9.035 13.941 -24.600 261 HZ2 LYS 31 HZ2 LYS 31 8.516 14.766 -23.217 262 HZ3 LYS 31 HZ3 LYS 31 8.943 15.631 -24.607 263 H PHE 32 H PHE 32 5.428 13.224 -27.209 264 HA PHE 32 HA PHE 32 7.630 14.344 -28.579 265 HB2 PHE 32 HB2 PHE 32 7.422 12.206 -27.044 266 HB3 PHE 32 HB3 PHE 32 7.158 11.391 -28.582 267 HD1 PHE 32 HD1 PHE 32 9.563 13.156 -26.485 268 HD2 PHE 32 HD2 PHE 32 8.926 11.243 -30.234 269 HE1 PHE 32 HE1 PHE 32 11.995 13.074 -26.853 270 HE2 PHE 32 HE2 PHE 32 11.357 11.157 -30.607 271 HZ PHE 32 HZ PHE 32 12.894 12.073 -28.915 272 H TYR 33 H TYR 33 4.683 12.948 -29.663 273 HA TYR 33 HA TYR 33 5.232 11.845 -32.094 274 HB2 TYR 33 HB2 TYR 33 2.952 12.498 -30.843 275 HB3 TYR 33 HB3 TYR 33 2.970 13.772 -32.057 276 HD1 TYR 33 HD1 TYR 33 1.900 10.517 -31.378 277 HD2 TYR 33 HD2 TYR 33 3.506 12.896 -34.519 278 HE1 TYR 33 HE1 TYR 33 0.983 8.943 -33.031 279 HE2 TYR 33 HE2 TYR 33 2.593 11.330 -36.180 280 HH TYR 33 HH TYR 33 0.326 8.919 -35.383 281 H PHE 34 H PHE 34 4.671 15.315 -31.506 282 HA PHE 34 HA PHE 34 5.173 16.175 -34.123 283 HB2 PHE 34 HB2 PHE 34 4.416 17.383 -31.764 284 HB3 PHE 34 HB3 PHE 34 6.012 18.067 -32.052 285 HD1 PHE 34 HD1 PHE 34 6.075 20.035 -33.215 286 HD2 PHE 34 HD2 PHE 34 2.932 17.278 -34.012 287 HE1 PHE 34 HE1 PHE 34 5.106 21.613 -34.834 288 HE2 PHE 34 HE2 PHE 34 1.958 18.851 -35.633 289 HZ PHE 34 HZ PHE 34 3.045 21.022 -36.047 290 H HIS 35 H HIS 35 7.335 15.599 -31.409 291 HA HIS 35 HA HIS 35 9.650 16.814 -32.257 292 HB2 HIS 35 HB2 HIS 35 8.975 15.037 -30.249 293 HB3 HIS 35 HB3 HIS 35 10.150 14.135 -31.201 294 HD1 HIS 35 HD1 HIS 35 10.247 15.841 -28.281 295 HD2 HIS 35 HD2 HIS 35 12.338 16.411 -31.825 296 HE1 HIS 35 HE1 HIS 35 12.317 17.120 -27.642 297 H LEU 36 H LEU 36 8.216 13.820 -33.394 298 HA LEU 36 HA LEU 36 10.413 12.864 -34.873 299 HB2 LEU 36 HB2 LEU 36 7.450 12.438 -35.089 300 HB3 LEU 36 HB3 LEU 36 8.578 11.679 -36.209 301 HG LEU 36 HG LEU 36 8.003 10.083 -34.530 302 HD11 LEU 36 HD11 LEU 36 10.685 11.035 -33.617 303 HD12 LEU 36 HD12 LEU 36 10.457 10.453 -35.266 304 HD13 LEU 36 HD13 LEU 36 10.116 9.390 -33.901 305 HD21 LEU 36 HD21 LEU 36 7.391 11.983 -32.871 306 HD22 LEU 36 HD22 LEU 36 9.070 11.833 -32.351 307 HD23 LEU 36 HD23 LEU 36 7.985 10.445 -32.246 308 H MET 37 H MET 37 7.622 14.843 -35.842 309 HA MET 37 HA MET 37 8.309 15.103 -38.548 310 HB2 MET 37 HB2 MET 37 6.549 16.569 -36.654 311 HB3 MET 37 HB3 MET 37 6.979 17.390 -38.148 312 HG2 MET 37 HG2 MET 37 5.621 16.120 -39.370 313 HG3 MET 37 HG3 MET 37 6.133 14.639 -38.563 314 HE1 MET 37 HE1 MET 37 5.686 14.811 -35.801 315 HE2 MET 37 HE2 MET 37 3.997 14.765 -35.294 316 HE3 MET 37 HE3 MET 37 4.621 13.537 -36.398 317 H LEU 38 H LEU 38 9.024 17.209 -35.775 318 HA LEU 38 HA LEU 38 10.466 19.141 -37.250 319 HB2 LEU 38 HB2 LEU 38 10.890 18.488 -34.347 320 HB3 LEU 38 HB3 LEU 38 11.141 20.031 -35.161 321 HG LEU 38 HG LEU 38 8.512 18.726 -34.479 322 HD11 LEU 38 HD11 LEU 38 9.959 21.182 -33.531 323 HD12 LEU 38 HD12 LEU 38 9.383 19.812 -32.582 324 HD13 LEU 38 HD13 LEU 38 8.229 20.945 -33.285 325 HD21 LEU 38 HD21 LEU 38 7.691 19.745 -36.285 326 HD22 LEU 38 HD22 LEU 38 9.181 20.649 -36.556 327 HD23 LEU 38 HD23 LEU 38 7.974 21.257 -35.422 328 H LEU 39 H LEU 39 11.390 16.148 -35.667 329 HA LEU 39 HA LEU 39 14.198 16.546 -35.839 330 HB2 LEU 39 HB2 LEU 39 12.389 14.262 -35.270 331 HB3 LEU 39 HB3 LEU 39 14.052 13.898 -35.728 332 HG LEU 39 HG LEU 39 13.334 15.714 -33.434 333 HD11 LEU 39 HD11 LEU 39 12.742 13.939 -32.248 334 HD12 LEU 39 HD12 LEU 39 14.358 13.274 -32.487 335 HD13 LEU 39 HD13 LEU 39 13.065 12.871 -33.615 336 HD21 LEU 39 HD21 LEU 39 15.855 14.204 -33.499 337 HD22 LEU 39 HD22 LEU 39 15.541 15.876 -33.033 338 HD23 LEU 39 HD23 LEU 39 15.691 15.448 -34.738 339 H ALA 40 H ALA 40 11.816 14.981 -37.923 340 HA ALA 40 HA ALA 40 13.724 13.964 -39.784 341 HB1 ALA 40 HB1 ALA 40 10.941 14.486 -40.659 342 HB2 ALA 40 HB2 ALA 40 11.953 13.059 -40.883 343 HB3 ALA 40 HB3 ALA 40 11.177 13.355 -39.327 344 H GLY 41 H GLY 41 11.474 16.731 -39.878 345 HA2 GLY 41 HA2 GLY 41 12.788 17.732 -42.283 346 HA3 GLY 41 HA3 GLY 41 11.336 18.387 -41.540 347 H CYS 42 H CYS 42 14.197 17.710 -39.666 348 HA CYS 42 HA CYS 42 14.308 20.307 -38.589 349 HB2 CYS 42 HB2 CYS 42 15.215 18.202 -37.534 350 HB3 CYS 42 HB3 CYS 42 16.571 18.306 -38.650 351 HG CYS 42 HG CYS 42 16.890 21.127 -37.558 352 H ILE 43 H ILE 43 15.833 18.850 -41.364 353 HA ILE 43 HA ILE 43 17.447 21.266 -41.789 354 HB ILE 43 HB ILE 43 17.603 18.615 -43.227 355 HG12 ILE 43 HG12 ILE 43 19.947 18.860 -41.886 356 HG13 ILE 43 HG13 ILE 43 18.855 19.653 -40.757 357 HG21 ILE 43 HG21 ILE 43 19.309 21.092 -43.355 358 HG22 ILE 43 HG22 ILE 43 19.796 19.531 -44.012 359 HG23 ILE 43 HG23 ILE 43 18.378 20.356 -44.659 360 HD11 ILE 43 HD11 ILE 43 19.318 17.096 -40.589 361 HD12 ILE 43 HD12 ILE 43 17.692 17.729 -40.324 362 HD13 ILE 43 HD13 ILE 43 18.112 16.996 -41.872 363 H LYS 44 H LYS 44 17.150 22.580 -43.518 364 HA LYS 44 HA LYS 44 14.994 21.868 -45.396 365 HB2 LYS 44 HB2 LYS 44 14.334 24.210 -45.465 366 HB3 LYS 44 HB3 LYS 44 14.270 23.610 -43.813 367 HG2 LYS 44 HG2 LYS 44 16.197 24.792 -43.192 368 HG3 LYS 44 HG3 LYS 44 16.653 25.094 -44.871 369 HD2 LYS 44 HD2 LYS 44 14.550 26.459 -45.084 370 HD3 LYS 44 HD3 LYS 44 14.359 26.304 -43.336 371 HE2 LYS 44 HE2 LYS 44 16.447 27.434 -42.957 372 HE3 LYS 44 HE3 LYS 44 16.802 27.447 -44.683 373 HZ1 LYS 44 HZ1 LYS 44 14.937 29.107 -43.156 374 HZ2 LYS 44 HZ2 LYS 44 14.526 28.723 -44.751 375 HZ3 LYS 44 HZ3 LYS 44 15.974 29.535 -44.423 376 H TYR 45 H TYR 45 15.104 23.256 -47.434 377 HA TYR 45 HA TYR 45 17.813 23.061 -48.468 378 HB2 TYR 45 HB2 TYR 45 15.200 23.683 -49.859 379 HB3 TYR 45 HB3 TYR 45 16.748 23.463 -50.667 380 HD1 TYR 45 HD1 TYR 45 14.266 21.716 -48.520 381 HD2 TYR 45 HD2 TYR 45 17.465 21.324 -51.297 382 HE1 TYR 45 HE1 TYR 45 13.842 19.297 -48.657 383 HE2 TYR 45 HE2 TYR 45 17.050 18.904 -51.443 384 HH TYR 45 HH TYR 45 15.873 17.129 -49.660 385 H GLY 46 H GLY 46 18.810 24.773 -49.686 386 HA2 GLY 46 HA2 GLY 46 17.750 27.465 -49.264 387 HA3 GLY 46 HA3 GLY 46 19.312 27.097 -48.548 388 H ARG 47 H ARG 47 18.557 29.028 -50.656 389 HA ARG 47 HA ARG 47 19.430 28.120 -53.177 390 HB2 ARG 47 HB2 ARG 47 18.192 30.328 -52.427 391 HB3 ARG 47 HB3 ARG 47 19.830 30.963 -52.353 392 HG2 ARG 47 HG2 ARG 47 19.085 31.516 -54.489 393 HG3 ARG 47 HG3 ARG 47 20.090 30.086 -54.736 394 HD2 ARG 47 HD2 ARG 47 18.161 28.680 -54.910 395 HD3 ARG 47 HD3 ARG 47 17.095 29.998 -54.425 396 HE ARG 47 HE ARG 47 18.593 30.582 -56.797 397 HH11 ARG 47 HH11 ARG 47 15.747 29.011 -55.550 398 HH12 ARG 47 HH12 ARG 47 14.870 29.129 -57.039 399 HH21 ARG 47 HH21 ARG 47 17.447 30.744 -58.763 400 HH22 ARG 47 HH22 ARG 47 15.838 30.114 -58.866 401 H GLY 48 H GLY 48 21.397 27.597 -53.863 402 HA2 GLY 48 HA2 GLY 48 23.689 27.643 -54.125 403 HA3 GLY 48 HA3 GLY 48 23.731 29.073 -53.105 Start of MODEL 5 1 H1 MET 1 H MET 1 4.509 -1.868 -7.360 2 HA MET 1 HA MET 1 4.412 -0.961 -4.591 3 HB2 MET 1 HB2 MET 1 2.143 -1.773 -4.244 4 HB3 MET 1 HB3 MET 1 2.159 -0.521 -5.479 5 HG2 MET 1 HG2 MET 1 2.336 -3.364 -6.328 6 HG3 MET 1 HG3 MET 1 0.784 -2.732 -5.786 7 HE1 MET 1 HE1 MET 1 1.299 -4.060 -8.294 8 HE2 MET 1 HE2 MET 1 0.827 -3.080 -9.682 9 HE3 MET 1 HE3 MET 1 2.534 -3.289 -9.290 10 H ASN 2 H ASN 2 4.104 -2.769 -3.065 11 HA ASN 2 HA ASN 2 5.343 -5.210 -4.131 12 HB2 ASN 2 HB2 ASN 2 5.301 -3.993 -1.371 13 HB3 ASN 2 HB3 ASN 2 5.841 -5.643 -1.663 14 HD21 ASN 2 HD21 ASN 2 7.381 -3.487 -0.604 15 HD22 ASN 2 HD22 ASN 2 8.693 -3.211 -1.694 16 H ILE 3 H ILE 3 2.620 -4.908 -4.580 17 HA ILE 3 HA ILE 3 1.613 -7.242 -3.204 18 HB ILE 3 HB ILE 3 -0.591 -5.983 -2.719 19 HG12 ILE 3 HG12 ILE 3 1.371 -3.678 -2.716 20 HG13 ILE 3 HG13 ILE 3 0.037 -3.890 -3.844 21 HG21 ILE 3 HG21 ILE 3 1.708 -5.276 -0.921 22 HG22 ILE 3 HG22 ILE 3 0.046 -5.664 -0.481 23 HG23 ILE 3 HG23 ILE 3 1.117 -6.929 -1.084 24 HD11 ILE 3 HD11 ILE 3 -1.179 -4.027 -1.377 25 HD12 ILE 3 HD12 ILE 3 0.053 -2.782 -1.172 26 HD13 ILE 3 HD13 ILE 3 -1.147 -2.632 -2.456 27 H THR 4 H THR 4 -0.561 -7.883 -4.071 28 HA THR 4 HA THR 4 -1.702 -6.779 -6.363 29 HB THR 4 HB THR 4 0.269 -7.239 -7.610 30 HG1 THR 4 HG1 THR 4 -0.541 -8.769 -9.108 31 HG21 THR 4 HG21 THR 4 0.475 -9.503 -5.842 32 HG22 THR 4 HG22 THR 4 1.707 -8.775 -6.872 33 HG23 THR 4 HG23 THR 4 0.636 -10.017 -7.521 34 H SER 5 H SER 5 -3.246 -7.559 -4.632 35 HA SER 5 HA SER 5 -4.270 -10.174 -5.443 36 HB2 SER 5 HB2 SER 5 -2.848 -10.306 -3.285 37 HB3 SER 5 HB3 SER 5 -4.195 -9.465 -2.518 38 HG SER 5 HG SER 5 -4.935 -11.431 -2.310 39 H GLN 6 H GLN 6 -6.400 -10.397 -3.767 40 HA GLN 6 HA GLN 6 -8.134 -8.317 -4.771 41 HB2 GLN 6 HB2 GLN 6 -8.593 -10.892 -4.534 42 HB3 GLN 6 HB3 GLN 6 -9.057 -10.457 -2.895 43 HG2 GLN 6 HG2 GLN 6 -10.562 -8.699 -4.026 44 HG3 GLN 6 HG3 GLN 6 -10.319 -9.660 -5.484 45 HE21 GLN 6 HE21 GLN 6 -12.790 -9.577 -4.933 46 HE22 GLN 6 HE22 GLN 6 -13.379 -10.967 -4.093 47 H MET 7 H MET 7 -6.540 -6.961 -3.210 48 HA MET 7 HA MET 7 -7.950 -6.650 -0.643 49 HB2 MET 7 HB2 MET 7 -5.235 -6.997 -1.114 50 HB3 MET 7 HB3 MET 7 -5.394 -5.268 -0.838 51 HG2 MET 7 HG2 MET 7 -6.868 -6.162 1.202 52 HG3 MET 7 HG3 MET 7 -5.774 -7.531 1.016 53 HE1 MET 7 HE1 MET 7 -2.337 -5.377 1.096 54 HE2 MET 7 HE2 MET 7 -3.035 -6.908 0.565 55 HE3 MET 7 HE3 MET 7 -3.402 -5.420 -0.310 56 H ASN 8 H ASN 8 -8.444 -4.547 0.088 57 HA ASN 8 HA ASN 8 -9.371 -2.778 -1.887 58 HB2 ASN 8 HB2 ASN 8 -9.092 -2.674 1.084 59 HB3 ASN 8 HB3 ASN 8 -9.418 -1.172 0.224 60 HD21 ASN 8 HD21 ASN 8 -10.896 -3.388 1.940 61 HD22 ASN 8 HD22 ASN 8 -12.438 -3.455 1.162 62 H LYS 9 H LYS 9 -6.637 -2.439 0.374 63 HA LYS 9 HA LYS 9 -5.665 0.002 -0.436 64 HB2 LYS 9 HB2 LYS 9 -4.836 -1.812 1.349 65 HB3 LYS 9 HB3 LYS 9 -3.654 -2.126 0.085 66 HG2 LYS 9 HG2 LYS 9 -3.296 0.439 0.124 67 HG3 LYS 9 HG3 LYS 9 -4.076 0.347 1.705 68 HD2 LYS 9 HD2 LYS 9 -1.798 -1.474 1.020 69 HD3 LYS 9 HD3 LYS 9 -1.495 0.179 1.559 70 HE2 LYS 9 HE2 LYS 9 -1.422 -1.055 3.531 71 HE3 LYS 9 HE3 LYS 9 -3.059 -0.401 3.519 72 HZ1 LYS 9 HZ1 LYS 9 -3.954 -2.429 3.304 73 HZ2 LYS 9 HZ2 LYS 9 -2.472 -2.981 3.904 74 HZ3 LYS 9 HZ3 LYS 9 -2.762 -2.978 2.237 75 H THR 10 H THR 10 -4.908 -3.182 -1.817 76 HA THR 10 HA THR 10 -3.056 -2.356 -3.730 77 HB THR 10 HB THR 10 -4.377 -4.437 -4.977 78 HG1 THR 10 HG1 THR 10 -4.740 -5.884 -3.132 79 HG21 THR 10 HG21 THR 10 -2.514 -5.707 -4.402 80 HG22 THR 10 HG22 THR 10 -2.365 -4.951 -2.815 81 HG23 THR 10 HG23 THR 10 -1.913 -4.055 -4.265 82 H ILE 11 H ILE 11 -6.584 -2.506 -3.881 83 HA ILE 11 HA ILE 11 -6.917 -1.964 -6.599 84 HB ILE 11 HB ILE 11 -8.693 -1.196 -4.281 85 HG12 ILE 11 HG12 ILE 11 -9.241 -3.418 -6.208 86 HG13 ILE 11 HG13 ILE 11 -8.078 -3.682 -4.914 87 HG21 ILE 11 HG21 ILE 11 -10.475 -1.157 -6.083 88 HG22 ILE 11 HG22 ILE 11 -9.344 0.195 -6.067 89 HG23 ILE 11 HG23 ILE 11 -9.153 -1.100 -7.249 90 HD11 ILE 11 HD11 ILE 11 -9.695 -3.985 -3.435 91 HD12 ILE 11 HD12 ILE 11 -10.497 -2.487 -3.906 92 HD13 ILE 11 HD13 ILE 11 -10.831 -3.979 -4.783 93 H ILE 12 H ILE 12 -6.391 0.198 -3.870 94 HA ILE 12 HA ILE 12 -6.832 2.596 -5.371 95 HB ILE 12 HB ILE 12 -5.233 2.494 -2.835 96 HG12 ILE 12 HG12 ILE 12 -8.224 2.192 -3.132 97 HG13 ILE 12 HG13 ILE 12 -7.111 1.080 -2.343 98 HG21 ILE 12 HG21 ILE 12 -5.512 4.625 -4.063 99 HG22 ILE 12 HG22 ILE 12 -7.256 4.480 -3.857 100 HG23 ILE 12 HG23 ILE 12 -6.214 4.660 -2.446 101 HD11 ILE 12 HD11 ILE 12 -8.282 2.244 -0.647 102 HD12 ILE 12 HD12 ILE 12 -6.641 2.889 -0.678 103 HD13 ILE 12 HD13 ILE 12 -7.962 3.803 -1.405 104 H GLY 13 H GLY 13 -3.889 1.143 -3.958 105 HA2 GLY 13 HA2 GLY 13 -2.030 2.884 -5.052 106 HA3 GLY 13 HA3 GLY 13 -1.701 1.205 -4.651 107 H VAL 14 H VAL 14 -3.221 -0.169 -6.440 108 HA VAL 14 HA VAL 14 -1.658 -0.059 -8.780 109 HB VAL 14 HB VAL 14 -4.313 -1.425 -8.318 110 HG11 VAL 14 HG11 VAL 14 -4.020 -1.225 -10.668 111 HG12 VAL 14 HG12 VAL 14 -2.316 -1.670 -10.558 112 HG13 VAL 14 HG13 VAL 14 -3.565 -2.872 -10.232 113 HG21 VAL 14 HG21 VAL 14 -2.274 -2.025 -6.881 114 HG22 VAL 14 HG22 VAL 14 -3.121 -3.338 -7.698 115 HG23 VAL 14 HG23 VAL 14 -1.607 -2.720 -8.358 116 H SER 15 H SER 15 -5.047 0.870 -8.207 117 HA SER 15 HA SER 15 -5.697 1.716 -10.760 118 HB2 SER 15 HB2 SER 15 -7.379 1.530 -9.016 119 HB3 SER 15 HB3 SER 15 -6.623 2.836 -8.104 120 HG SER 15 HG SER 15 -8.495 3.064 -9.908 121 H VAL 16 H VAL 16 -4.341 3.652 -8.098 122 HA VAL 16 HA VAL 16 -4.166 6.076 -9.496 123 HB VAL 16 HB VAL 16 -2.417 5.089 -7.239 124 HG11 VAL 16 HG11 VAL 16 -2.432 7.554 -8.780 125 HG12 VAL 16 HG12 VAL 16 -2.625 7.832 -7.048 126 HG13 VAL 16 HG13 VAL 16 -1.230 6.934 -7.649 127 HG21 VAL 16 HG21 VAL 16 -4.445 7.065 -6.603 128 HG22 VAL 16 HG22 VAL 16 -5.141 5.573 -7.233 129 HG23 VAL 16 HG23 VAL 16 -4.085 5.526 -5.821 130 H LEU 17 H LEU 17 -1.607 3.678 -8.842 131 HA LEU 17 HA LEU 17 0.449 4.846 -10.257 132 HB2 LEU 17 HB2 LEU 17 -0.250 2.068 -9.503 133 HB3 LEU 17 HB3 LEU 17 0.997 2.275 -10.731 134 HG LEU 17 HG LEU 17 2.461 3.319 -9.239 135 HD11 LEU 17 HD11 LEU 17 1.309 4.974 -8.145 136 HD12 LEU 17 HD12 LEU 17 1.549 3.817 -6.837 137 HD13 LEU 17 HD13 LEU 17 -0.005 3.898 -7.667 138 HD21 LEU 17 HD21 LEU 17 0.974 1.021 -8.065 139 HD22 LEU 17 HD22 LEU 17 2.197 1.833 -7.086 140 HD23 LEU 17 HD23 LEU 17 2.640 1.117 -8.636 141 H SER 18 H SER 18 -2.092 2.693 -11.464 142 HA SER 18 HA SER 18 -1.144 2.471 -14.100 143 HB2 SER 18 HB2 SER 18 -3.013 1.139 -12.888 144 HB3 SER 18 HB3 SER 18 -4.076 2.438 -13.429 145 HG SER 18 HG SER 18 -3.988 0.694 -14.920 146 H VAL 19 H VAL 19 -3.603 4.641 -12.715 147 HA VAL 19 HA VAL 19 -4.318 6.046 -14.970 148 HB VAL 19 HB VAL 19 -3.980 7.143 -12.175 149 HG11 VAL 19 HG11 VAL 19 -4.091 8.943 -13.802 150 HG12 VAL 19 HG12 VAL 19 -5.539 8.232 -14.518 151 HG13 VAL 19 HG13 VAL 19 -5.587 8.865 -12.872 152 HG21 VAL 19 HG21 VAL 19 -6.689 6.708 -12.983 153 HG22 VAL 19 HG22 VAL 19 -5.765 5.223 -13.210 154 HG23 VAL 19 HG23 VAL 19 -5.807 6.003 -11.628 155 H LEU 20 H LEU 20 -1.531 6.583 -12.857 156 HA LEU 20 HA LEU 20 -0.620 8.949 -14.087 157 HB2 LEU 20 HB2 LEU 20 0.297 8.557 -12.002 158 HB3 LEU 20 HB3 LEU 20 0.623 6.861 -12.353 159 HG LEU 20 HG LEU 20 2.521 7.468 -13.721 160 HD11 LEU 20 HD11 LEU 20 3.239 9.749 -14.014 161 HD12 LEU 20 HD12 LEU 20 1.891 10.336 -13.041 162 HD13 LEU 20 HD13 LEU 20 1.586 9.578 -14.603 163 HD21 LEU 20 HD21 LEU 20 3.934 8.548 -11.975 164 HD22 LEU 20 HD22 LEU 20 2.991 7.176 -11.391 165 HD23 LEU 20 HD23 LEU 20 2.471 8.823 -11.029 166 H VAL 21 H VAL 21 0.662 5.631 -14.398 167 HA VAL 21 HA VAL 21 2.470 6.074 -16.431 168 HB VAL 21 HB VAL 21 0.772 3.589 -16.195 169 HG11 VAL 21 HG11 VAL 21 3.112 2.640 -16.906 170 HG12 VAL 21 HG12 VAL 21 1.998 3.285 -18.112 171 HG13 VAL 21 HG13 VAL 21 3.344 4.270 -17.538 172 HG21 VAL 21 HG21 VAL 21 3.228 3.201 -14.901 173 HG22 VAL 21 HG22 VAL 21 2.608 4.742 -14.309 174 HG23 VAL 21 HG23 VAL 21 1.627 3.284 -14.165 175 H VAL 22 H VAL 22 -0.932 5.071 -16.782 176 HA VAL 22 HA VAL 22 -1.077 4.947 -19.536 177 HB VAL 22 HB VAL 22 -3.171 5.802 -17.541 178 HG11 VAL 22 HG11 VAL 22 -3.456 5.282 -20.496 179 HG12 VAL 22 HG12 VAL 22 -4.810 5.346 -19.365 180 HG13 VAL 22 HG13 VAL 22 -3.813 6.777 -19.631 181 HG21 VAL 22 HG21 VAL 22 -2.671 3.221 -19.019 182 HG22 VAL 22 HG22 VAL 22 -2.434 3.512 -17.296 183 HG23 VAL 22 HG23 VAL 22 -4.060 3.537 -17.980 184 H SER 23 H SER 23 -1.789 7.771 -17.480 185 HA SER 23 HA SER 23 -2.353 9.580 -19.520 186 HB2 SER 23 HB2 SER 23 -2.868 10.161 -17.247 187 HB3 SER 23 HB3 SER 23 -1.174 10.029 -16.772 188 HG SER 23 HG SER 23 -2.474 12.044 -18.218 189 H VAL 24 H VAL 24 0.715 9.335 -17.712 190 HA VAL 24 HA VAL 24 2.236 11.053 -19.228 191 HB VAL 24 HB VAL 24 3.166 8.487 -17.932 192 HG11 VAL 24 HG11 VAL 24 4.994 9.010 -19.190 193 HG12 VAL 24 HG12 VAL 24 4.604 10.731 -19.244 194 HG13 VAL 24 HG13 VAL 24 5.311 10.031 -17.787 195 HG21 VAL 24 HG21 VAL 24 1.971 10.184 -16.487 196 HG22 VAL 24 HG22 VAL 24 3.606 9.756 -15.983 197 HG23 VAL 24 HG23 VAL 24 3.313 11.279 -16.821 198 H VAL 25 H VAL 25 1.510 7.654 -19.845 199 HA VAL 25 HA VAL 25 3.271 7.185 -21.952 200 HB VAL 25 HB VAL 25 0.654 6.004 -21.145 201 HG11 VAL 25 HG11 VAL 25 1.950 5.695 -23.825 202 HG12 VAL 25 HG12 VAL 25 1.045 4.362 -23.106 203 HG13 VAL 25 HG13 VAL 25 0.245 5.901 -23.427 204 HG21 VAL 25 HG21 VAL 25 2.035 4.590 -20.135 205 HG22 VAL 25 HG22 VAL 25 2.663 4.094 -21.706 206 HG23 VAL 25 HG23 VAL 25 3.426 5.421 -20.831 207 H ALA 26 H ALA 26 -0.198 7.982 -22.241 208 HA ALA 26 HA ALA 26 -0.139 8.458 -25.007 209 HB1 ALA 26 HB1 ALA 26 -2.330 9.325 -24.776 210 HB2 ALA 26 HB2 ALA 26 -2.172 8.045 -23.573 211 HB3 ALA 26 HB3 ALA 26 -2.066 9.735 -23.081 212 H VAL 27 H VAL 27 0.552 10.522 -22.268 213 HA VAL 27 HA VAL 27 0.374 13.033 -23.450 214 HB VAL 27 HB VAL 27 2.198 12.008 -21.283 215 HG11 VAL 27 HG11 VAL 27 2.621 14.422 -20.772 216 HG12 VAL 27 HG12 VAL 27 3.377 13.841 -22.257 217 HG13 VAL 27 HG13 VAL 27 1.909 14.816 -22.336 218 HG21 VAL 27 HG21 VAL 27 0.583 12.591 -19.833 219 HG22 VAL 27 HG22 VAL 27 0.172 14.057 -20.723 220 HG23 VAL 27 HG23 VAL 27 -0.474 12.500 -21.242 221 H LEU 28 H LEU 28 3.381 11.166 -22.977 222 HA LEU 28 HA LEU 28 4.958 12.781 -24.644 223 HB2 LEU 28 HB2 LEU 28 5.301 9.888 -23.873 224 HB3 LEU 28 HB3 LEU 28 6.539 10.876 -24.645 225 HG LEU 28 HG LEU 28 5.540 12.090 -22.203 226 HD11 LEU 28 HD11 LEU 28 7.081 9.564 -21.766 227 HD12 LEU 28 HD12 LEU 28 5.319 9.546 -21.804 228 HD13 LEU 28 HD13 LEU 28 6.165 10.530 -20.610 229 HD21 LEU 28 HD21 LEU 28 7.684 12.464 -23.634 230 HD22 LEU 28 HD22 LEU 28 8.328 11.127 -22.681 231 HD23 LEU 28 HD23 LEU 28 7.767 12.594 -21.877 232 H VAL 29 H VAL 29 2.918 10.016 -25.315 233 HA VAL 29 HA VAL 29 3.819 9.256 -27.818 234 HB VAL 29 HB VAL 29 1.051 9.281 -26.641 235 HG11 VAL 29 HG11 VAL 29 0.640 9.489 -28.970 236 HG12 VAL 29 HG12 VAL 29 1.906 8.324 -29.365 237 HG13 VAL 29 HG13 VAL 29 0.427 7.785 -28.567 238 HG21 VAL 29 HG21 VAL 29 1.532 7.224 -25.903 239 HG22 VAL 29 HG22 VAL 29 2.288 6.755 -27.425 240 HG23 VAL 29 HG23 VAL 29 3.214 7.649 -26.219 241 H TYR 30 H TYR 30 1.277 11.651 -27.092 242 HA TYR 30 HA TYR 30 1.224 12.537 -29.842 243 HB2 TYR 30 HB2 TYR 30 -0.813 12.419 -28.360 244 HB3 TYR 30 HB3 TYR 30 -0.162 13.788 -27.465 245 HD1 TYR 30 HD1 TYR 30 -1.254 15.750 -27.959 246 HD2 TYR 30 HD2 TYR 30 -0.560 12.961 -31.095 247 HE1 TYR 30 HE1 TYR 30 -2.300 17.298 -29.559 248 HE2 TYR 30 HE2 TYR 30 -1.602 14.501 -32.704 249 HH TYR 30 HH TYR 30 -2.600 17.744 -31.762 250 H LYS 31 H LYS 31 2.210 13.870 -26.706 251 HA LYS 31 HA LYS 31 2.955 16.416 -27.516 252 HB2 LYS 31 HB2 LYS 31 2.868 15.433 -25.152 253 HB3 LYS 31 HB3 LYS 31 4.490 14.829 -25.465 254 HG2 LYS 31 HG2 LYS 31 3.854 17.725 -25.845 255 HG3 LYS 31 HG3 LYS 31 4.193 17.079 -24.238 256 HD2 LYS 31 HD2 LYS 31 6.006 16.904 -26.645 257 HD3 LYS 31 HD3 LYS 31 6.216 17.979 -25.261 258 HE2 LYS 31 HE2 LYS 31 5.926 15.399 -24.201 259 HE3 LYS 31 HE3 LYS 31 7.010 15.234 -25.581 260 HZ1 LYS 31 HZ1 LYS 31 8.287 17.141 -24.610 261 HZ2 LYS 31 HZ2 LYS 31 8.349 15.706 -23.717 262 HZ3 LYS 31 HZ3 LYS 31 7.353 16.976 -23.209 263 H PHE 32 H PHE 32 5.127 13.610 -27.118 264 HA PHE 32 HA PHE 32 7.333 14.868 -28.369 265 HB2 PHE 32 HB2 PHE 32 7.196 12.755 -26.802 266 HB3 PHE 32 HB3 PHE 32 7.053 11.889 -28.329 267 HD1 PHE 32 HD1 PHE 32 9.277 13.388 -25.990 268 HD2 PHE 32 HD2 PHE 32 8.870 12.280 -30.080 269 HE1 PHE 32 HE1 PHE 32 11.723 13.452 -26.247 270 HE2 PHE 32 HE2 PHE 32 11.316 12.341 -30.343 271 HZ PHE 32 HZ PHE 32 12.745 12.927 -28.425 272 H TYR 33 H TYR 33 4.556 13.249 -29.589 273 HA TYR 33 HA TYR 33 5.294 12.134 -31.953 274 HB2 TYR 33 HB2 TYR 33 2.915 12.727 -30.861 275 HB3 TYR 33 HB3 TYR 33 2.958 13.961 -32.114 276 HD1 TYR 33 HD1 TYR 33 3.737 13.001 -34.500 277 HD2 TYR 33 HD2 TYR 33 1.923 10.720 -31.400 278 HE1 TYR 33 HE1 TYR 33 2.995 11.346 -36.161 279 HE2 TYR 33 HE2 TYR 33 1.177 9.058 -33.052 280 HH TYR 33 HH TYR 33 0.685 9.009 -35.520 281 H PHE 34 H PHE 34 4.697 15.596 -31.409 282 HA PHE 34 HA PHE 34 5.223 16.452 -34.025 283 HB2 PHE 34 HB2 PHE 34 4.344 17.682 -31.786 284 HB3 PHE 34 HB3 PHE 34 6.002 18.273 -31.824 285 HD1 PHE 34 HD1 PHE 34 3.291 17.690 -34.328 286 HD2 PHE 34 HD2 PHE 34 6.231 20.341 -32.766 287 HE1 PHE 34 HE1 PHE 34 2.643 19.383 -35.992 288 HE2 PHE 34 HE2 PHE 34 5.588 22.038 -34.427 289 HZ PHE 34 HZ PHE 34 3.792 21.561 -36.042 290 H HIS 35 H HIS 35 7.362 16.175 -31.208 291 HA HIS 35 HA HIS 35 9.674 17.263 -32.246 292 HB2 HIS 35 HB2 HIS 35 9.022 15.338 -30.122 293 HB3 HIS 35 HB3 HIS 35 10.655 15.180 -30.764 294 HD1 HIS 35 HD1 HIS 35 12.337 16.975 -30.145 295 HD2 HIS 35 HD2 HIS 35 8.483 17.831 -28.851 296 HE1 HIS 35 HE1 HIS 35 12.569 18.948 -28.603 297 H LEU 36 H LEU 36 8.447 13.960 -32.606 298 HA LEU 36 HA LEU 36 10.591 12.781 -33.886 299 HB2 LEU 36 HB2 LEU 36 7.675 12.337 -34.504 300 HB3 LEU 36 HB3 LEU 36 8.996 11.227 -34.858 301 HG LEU 36 HG LEU 36 8.343 12.035 -32.041 302 HD11 LEU 36 HD11 LEU 36 6.774 10.352 -31.805 303 HD12 LEU 36 HD12 LEU 36 7.277 9.532 -33.282 304 HD13 LEU 36 HD13 LEU 36 6.365 11.038 -33.378 305 HD21 LEU 36 HD21 LEU 36 9.945 10.596 -31.488 306 HD22 LEU 36 HD22 LEU 36 10.384 10.540 -33.196 307 HD23 LEU 36 HD23 LEU 36 9.271 9.343 -32.531 308 H MET 37 H MET 37 7.763 14.243 -35.504 309 HA MET 37 HA MET 37 8.667 14.090 -38.105 310 HB2 MET 37 HB2 MET 37 6.767 15.860 -36.660 311 HB3 MET 37 HB3 MET 37 7.287 16.378 -38.258 312 HG2 MET 37 HG2 MET 37 6.312 14.563 -39.308 313 HG3 MET 37 HG3 MET 37 6.274 13.603 -37.831 314 HE1 MET 37 HE1 MET 37 3.421 14.352 -35.937 315 HE2 MET 37 HE2 MET 37 5.180 14.346 -35.821 316 HE3 MET 37 HE3 MET 37 4.293 15.865 -35.693 317 H LEU 38 H LEU 38 9.249 16.654 -35.727 318 HA LEU 38 HA LEU 38 10.616 18.439 -37.377 319 HB2 LEU 38 HB2 LEU 38 10.527 17.911 -34.457 320 HB3 LEU 38 HB3 LEU 38 11.833 18.925 -35.067 321 HG LEU 38 HG LEU 38 10.063 20.387 -36.106 322 HD11 LEU 38 HD11 LEU 38 8.299 18.579 -35.962 323 HD12 LEU 38 HD12 LEU 38 7.809 20.193 -35.448 324 HD13 LEU 38 HD13 LEU 38 8.184 18.961 -34.244 325 HD21 LEU 38 HD21 LEU 38 9.277 21.110 -33.654 326 HD22 LEU 38 HD22 LEU 38 10.895 21.433 -34.278 327 HD23 LEU 38 HD23 LEU 38 10.617 20.048 -33.221 328 H LEU 39 H LEU 39 11.734 15.577 -35.669 329 HA LEU 39 HA LEU 39 14.507 16.046 -36.285 330 HB2 LEU 39 HB2 LEU 39 12.935 13.944 -34.905 331 HB3 LEU 39 HB3 LEU 39 14.500 13.480 -35.569 332 HG LEU 39 HG LEU 39 15.293 15.621 -34.221 333 HD11 LEU 39 HD11 LEU 39 12.777 14.739 -32.826 334 HD12 LEU 39 HD12 LEU 39 13.184 16.353 -33.409 335 HD13 LEU 39 HD13 LEU 39 14.057 15.664 -32.040 336 HD21 LEU 39 HD21 LEU 39 14.992 13.574 -32.259 337 HD22 LEU 39 HD22 LEU 39 16.428 14.027 -33.177 338 HD23 LEU 39 HD23 LEU 39 15.309 12.825 -33.824 339 H ALA 40 H ALA 40 11.870 14.124 -37.595 340 HA ALA 40 HA ALA 40 13.410 12.572 -39.388 341 HB1 ALA 40 HB1 ALA 40 11.428 11.729 -40.139 342 HB2 ALA 40 HB2 ALA 40 10.898 12.386 -38.590 343 HB3 ALA 40 HB3 ALA 40 10.610 13.290 -40.076 344 H GLY 41 H GLY 41 11.494 15.539 -39.894 345 HA2 GLY 41 HA2 GLY 41 12.632 15.831 -42.565 346 HA3 GLY 41 HA3 GLY 41 11.359 16.817 -41.861 347 H CYS 42 H CYS 42 14.316 16.162 -40.137 348 HA CYS 42 HA CYS 42 14.851 18.945 -39.827 349 HB2 CYS 42 HB2 CYS 42 15.381 17.104 -38.156 350 HB3 CYS 42 HB3 CYS 42 16.742 16.682 -39.189 351 HG CYS 42 HG CYS 42 16.448 19.872 -38.054 352 H ILE 43 H ILE 43 16.001 16.440 -41.957 353 HA ILE 43 HA ILE 43 17.839 18.384 -43.195 354 HB ILE 43 HB ILE 43 18.068 15.373 -43.238 355 HG12 ILE 43 HG12 ILE 43 18.591 16.323 -41.031 356 HG13 ILE 43 HG13 ILE 43 20.037 15.696 -41.814 357 HG21 ILE 43 HG21 ILE 43 18.950 16.255 -45.264 358 HG22 ILE 43 HG22 ILE 43 19.783 17.552 -44.408 359 HG23 ILE 43 HG23 ILE 43 20.321 15.883 -44.219 360 HD11 ILE 43 HD11 ILE 43 19.530 18.305 -40.803 361 HD12 ILE 43 HD12 ILE 43 21.016 17.647 -41.491 362 HD13 ILE 43 HD13 ILE 43 19.819 18.408 -42.540 363 H LYS 44 H LYS 44 17.688 18.751 -45.352 364 HA LYS 44 HA LYS 44 15.283 18.167 -46.685 365 HB2 LYS 44 HB2 LYS 44 16.214 19.288 -48.567 366 HB3 LYS 44 HB3 LYS 44 16.828 20.109 -47.138 367 HG2 LYS 44 HG2 LYS 44 18.898 18.664 -47.374 368 HG3 LYS 44 HG3 LYS 44 18.281 18.228 -48.969 369 HD2 LYS 44 HD2 LYS 44 18.453 21.111 -48.237 370 HD3 LYS 44 HD3 LYS 44 19.938 20.252 -48.652 371 HE2 LYS 44 HE2 LYS 44 17.517 20.096 -50.414 372 HE3 LYS 44 HE3 LYS 44 18.630 21.459 -50.523 373 HZ1 LYS 44 HZ1 LYS 44 19.365 19.911 -52.098 374 HZ2 LYS 44 HZ2 LYS 44 19.190 18.601 -51.044 375 HZ3 LYS 44 HZ3 LYS 44 20.428 19.726 -50.795 376 H TYR 45 H TYR 45 14.953 16.932 -48.628 377 HA TYR 45 HA TYR 45 15.780 14.282 -48.451 378 HB2 TYR 45 HB2 TYR 45 13.819 15.415 -49.784 379 HB3 TYR 45 HB3 TYR 45 14.988 15.433 -51.100 380 HD1 TYR 45 HD1 TYR 45 13.526 13.092 -48.582 381 HD2 TYR 45 HD2 TYR 45 15.120 13.592 -52.495 382 HE1 TYR 45 HE1 TYR 45 12.966 10.754 -49.103 383 HE2 TYR 45 HE2 TYR 45 14.563 11.256 -53.027 384 HH TYR 45 HH TYR 45 13.762 8.983 -50.702 385 H GLY 46 H GLY 46 17.020 13.021 -50.041 386 HA2 GLY 46 HA2 GLY 46 18.655 13.309 -51.949 387 HA3 GLY 46 HA3 GLY 46 19.392 14.539 -50.933 388 H ARG 47 H ARG 47 19.774 11.487 -51.968 389 HA ARG 47 HA ARG 47 21.368 10.777 -49.609 390 HB2 ARG 47 HB2 ARG 47 19.308 9.083 -50.990 391 HB3 ARG 47 HB3 ARG 47 20.668 8.338 -50.162 392 HG2 ARG 47 HG2 ARG 47 19.956 9.721 -48.133 393 HG3 ARG 47 HG3 ARG 47 18.446 9.982 -49.008 394 HD2 ARG 47 HD2 ARG 47 18.173 8.104 -47.535 395 HD3 ARG 47 HD3 ARG 47 18.191 7.523 -49.200 396 HE ARG 47 HE ARG 47 20.791 7.337 -48.321 397 HH11 ARG 47 HH11 ARG 47 17.703 6.052 -47.354 398 HH12 ARG 47 HH12 ARG 47 18.368 4.590 -46.704 399 HH21 ARG 47 HH21 ARG 47 21.678 5.416 -47.469 400 HH22 ARG 47 HH22 ARG 47 20.630 4.230 -46.770 401 H GLY 48 H GLY 48 23.363 10.032 -50.067 402 HA2 GLY 48 HA2 GLY 48 24.302 8.473 -52.057 403 HA3 GLY 48 HA3 GLY 48 24.201 10.044 -52.838 Start of MODEL 6 1 H1 MET 1 H MET 1 5.722 1.514 -5.668 2 HA MET 1 HA MET 1 6.803 0.371 -7.310 3 HB2 MET 1 HB2 MET 1 6.869 -1.759 -5.168 4 HB3 MET 1 HB3 MET 1 7.749 -1.864 -6.687 5 HG2 MET 1 HG2 MET 1 8.975 0.180 -6.098 6 HG3 MET 1 HG3 MET 1 8.120 0.229 -4.558 7 HE1 MET 1 HE1 MET 1 10.269 -0.174 -2.701 8 HE2 MET 1 HE2 MET 1 8.621 -0.798 -2.636 9 HE3 MET 1 HE3 MET 1 9.981 -1.859 -2.265 10 H ASN 2 H ASN 2 3.955 0.341 -7.323 11 HA ASN 2 HA ASN 2 2.180 -0.674 -8.324 12 HB2 ASN 2 HB2 ASN 2 3.923 -0.590 -10.191 13 HB3 ASN 2 HB3 ASN 2 4.208 -2.296 -9.859 14 HD21 ASN 2 HD21 ASN 2 3.464 -1.798 -12.307 15 HD22 ASN 2 HD22 ASN 2 1.808 -2.200 -12.589 16 H ILE 3 H ILE 3 2.520 -1.734 -5.921 17 HA ILE 3 HA ILE 3 3.096 -4.415 -5.614 18 HB ILE 3 HB ILE 3 1.339 -4.372 -3.768 19 HG12 ILE 3 HG12 ILE 3 1.220 -1.459 -4.580 20 HG13 ILE 3 HG13 ILE 3 -0.083 -2.625 -4.781 21 HG21 ILE 3 HG21 ILE 3 3.538 -2.312 -3.832 22 HG22 ILE 3 HG22 ILE 3 2.694 -2.828 -2.373 23 HG23 ILE 3 HG23 ILE 3 3.660 -3.985 -3.288 24 HD11 ILE 3 HD11 ILE 3 1.072 -1.639 -2.186 25 HD12 ILE 3 HD12 ILE 3 -0.517 -1.270 -2.856 26 HD13 ILE 3 HD13 ILE 3 -0.142 -2.910 -2.328 27 H THR 4 H THR 4 1.366 -6.121 -5.047 28 HA THR 4 HA THR 4 -1.053 -6.043 -6.606 29 HB THR 4 HB THR 4 1.010 -8.110 -7.379 30 HG1 THR 4 HG1 THR 4 0.312 -5.631 -8.578 31 HG21 THR 4 HG21 THR 4 -1.130 -8.976 -7.814 32 HG22 THR 4 HG22 THR 4 -0.612 -8.297 -9.357 33 HG23 THR 4 HG23 THR 4 -1.751 -7.412 -8.342 34 H SER 5 H SER 5 -2.453 -6.889 -5.218 35 HA SER 5 HA SER 5 -2.010 -9.535 -4.141 36 HB2 SER 5 HB2 SER 5 -0.953 -7.928 -2.490 37 HB3 SER 5 HB3 SER 5 -2.569 -7.282 -2.204 38 HG SER 5 HG SER 5 -1.444 -9.446 -1.141 39 H GLN 6 H GLN 6 -4.027 -9.688 -2.320 40 HA GLN 6 HA GLN 6 -6.393 -9.091 -3.964 41 HB2 GLN 6 HB2 GLN 6 -5.656 -11.523 -3.314 42 HB3 GLN 6 HB3 GLN 6 -6.402 -11.129 -1.771 43 HG2 GLN 6 HG2 GLN 6 -8.515 -10.710 -2.848 44 HG3 GLN 6 HG3 GLN 6 -7.789 -10.957 -4.435 45 HE21 GLN 6 HE21 GLN 6 -7.639 -12.967 -5.233 46 HE22 GLN 6 HE22 GLN 6 -8.123 -14.397 -4.394 47 H MET 7 H MET 7 -5.298 -7.130 -2.241 48 HA MET 7 HA MET 7 -7.421 -6.957 -0.205 49 HB2 MET 7 HB2 MET 7 -5.795 -5.486 1.066 50 HB3 MET 7 HB3 MET 7 -5.394 -7.197 1.001 51 HG2 MET 7 HG2 MET 7 -3.729 -6.813 -0.668 52 HG3 MET 7 HG3 MET 7 -4.220 -5.129 -0.837 53 HE1 MET 7 HE1 MET 7 -0.955 -4.211 0.767 54 HE2 MET 7 HE2 MET 7 -1.047 -5.607 -0.307 55 HE3 MET 7 HE3 MET 7 -2.025 -4.175 -0.635 56 H ASN 8 H ASN 8 -8.382 -4.934 0.128 57 HA ASN 8 HA ASN 8 -8.946 -3.394 -2.070 58 HB2 ASN 8 HB2 ASN 8 -8.958 -2.574 0.842 59 HB3 ASN 8 HB3 ASN 8 -9.705 -1.641 -0.452 60 HD21 ASN 8 HD21 ASN 8 -11.804 -1.815 0.014 61 HD22 ASN 8 HD22 ASN 8 -12.668 -3.305 0.147 62 H LYS 9 H LYS 9 -6.337 -2.981 0.257 63 HA LYS 9 HA LYS 9 -5.430 -0.458 -0.362 64 HB2 LYS 9 HB2 LYS 9 -4.546 -2.329 1.294 65 HB3 LYS 9 HB3 LYS 9 -3.409 -2.627 -0.015 66 HG2 LYS 9 HG2 LYS 9 -2.328 -1.139 1.440 67 HG3 LYS 9 HG3 LYS 9 -2.867 -0.156 0.076 68 HD2 LYS 9 HD2 LYS 9 -4.703 0.708 1.329 69 HD3 LYS 9 HD3 LYS 9 -4.429 -0.444 2.638 70 HE2 LYS 9 HE2 LYS 9 -2.418 0.637 3.281 71 HE3 LYS 9 HE3 LYS 9 -2.394 1.615 1.815 72 HZ1 LYS 9 HZ1 LYS 9 -3.180 2.701 3.969 73 HZ2 LYS 9 HZ2 LYS 9 -4.612 1.827 3.752 74 HZ3 LYS 9 HZ3 LYS 9 -4.119 2.945 2.582 75 H THR 10 H THR 10 -4.263 -3.485 -1.851 76 HA THR 10 HA THR 10 -2.624 -2.369 -3.780 77 HB THR 10 HB THR 10 -3.754 -4.584 -5.049 78 HG1 THR 10 HG1 THR 10 -4.449 -5.903 -3.536 79 HG21 THR 10 HG21 THR 10 -1.663 -5.593 -3.555 80 HG22 THR 10 HG22 THR 10 -1.301 -3.869 -3.648 81 HG23 THR 10 HG23 THR 10 -1.527 -4.805 -5.126 82 H ILE 11 H ILE 11 -6.109 -2.840 -3.816 83 HA ILE 11 HA ILE 11 -6.596 -2.350 -6.526 84 HB ILE 11 HB ILE 11 -8.399 -1.563 -4.236 85 HG12 ILE 11 HG12 ILE 11 -8.123 -4.214 -5.669 86 HG13 ILE 11 HG13 ILE 11 -7.711 -3.892 -3.988 87 HG21 ILE 11 HG21 ILE 11 -9.579 -2.588 -6.700 88 HG22 ILE 11 HG22 ILE 11 -10.001 -1.168 -5.745 89 HG23 ILE 11 HG23 ILE 11 -8.686 -1.082 -6.917 90 HD11 ILE 11 HD11 ILE 11 -10.237 -4.606 -5.153 91 HD12 ILE 11 HD12 ILE 11 -9.754 -4.549 -3.457 92 HD13 ILE 11 HD13 ILE 11 -10.365 -3.097 -4.250 93 H ILE 12 H ILE 12 -6.216 -0.131 -3.807 94 HA ILE 12 HA ILE 12 -6.892 2.209 -5.303 95 HB ILE 12 HB ILE 12 -5.215 2.258 -2.816 96 HG12 ILE 12 HG12 ILE 12 -8.165 1.658 -3.041 97 HG13 ILE 12 HG13 ILE 12 -6.929 0.705 -2.227 98 HG21 ILE 12 HG21 ILE 12 -6.334 4.338 -2.406 99 HG22 ILE 12 HG22 ILE 12 -5.731 4.346 -4.062 100 HG23 ILE 12 HG23 ILE 12 -7.442 4.059 -3.749 101 HD11 ILE 12 HD11 ILE 12 -6.743 3.067 -0.904 102 HD12 ILE 12 HD12 ILE 12 -8.465 3.001 -1.280 103 HD13 ILE 12 HD13 ILE 12 -7.708 1.686 -0.382 104 H GLY 13 H GLY 13 -3.791 1.020 -3.984 105 HA2 GLY 13 HA2 GLY 13 -2.119 2.912 -5.117 106 HA3 GLY 13 HA3 GLY 13 -1.641 1.260 -4.756 107 H VAL 14 H VAL 14 -3.000 -0.252 -6.501 108 HA VAL 14 HA VAL 14 -1.568 0.044 -8.893 109 HB VAL 14 HB VAL 14 -4.075 -1.562 -8.377 110 HG11 VAL 14 HG11 VAL 14 -2.895 -2.918 -10.325 111 HG12 VAL 14 HG12 VAL 14 -4.030 -1.607 -10.656 112 HG13 VAL 14 HG13 VAL 14 -2.293 -1.313 -10.738 113 HG21 VAL 14 HG21 VAL 14 -2.666 -3.392 -7.880 114 HG22 VAL 14 HG22 VAL 14 -1.231 -2.541 -8.452 115 HG23 VAL 14 HG23 VAL 14 -2.025 -2.029 -6.963 116 H SER 15 H SER 15 -4.994 0.687 -8.178 117 HA SER 15 HA SER 15 -5.789 1.502 -10.713 118 HB2 SER 15 HB2 SER 15 -7.421 1.108 -8.970 119 HB3 SER 15 HB3 SER 15 -6.764 2.426 -8.001 120 HG SER 15 HG SER 15 -8.018 2.664 -10.538 121 H VAL 16 H VAL 16 -4.393 3.407 -8.070 122 HA VAL 16 HA VAL 16 -4.553 5.912 -9.366 123 HB VAL 16 HB VAL 16 -2.632 5.008 -7.216 124 HG11 VAL 16 HG11 VAL 16 -3.329 7.743 -8.263 125 HG12 VAL 16 HG12 VAL 16 -2.530 7.471 -6.713 126 HG13 VAL 16 HG13 VAL 16 -1.744 6.973 -8.212 127 HG21 VAL 16 HG21 VAL 16 -4.253 5.298 -5.703 128 HG22 VAL 16 HG22 VAL 16 -4.824 6.781 -6.470 129 HG23 VAL 16 HG23 VAL 16 -5.369 5.213 -7.067 130 H LEU 17 H LEU 17 -1.775 3.720 -8.915 131 HA LEU 17 HA LEU 17 0.120 5.111 -10.348 132 HB2 LEU 17 HB2 LEU 17 -0.329 2.254 -9.711 133 HB3 LEU 17 HB3 LEU 17 0.842 2.616 -10.977 134 HG LEU 17 HG LEU 17 2.278 3.718 -9.489 135 HD11 LEU 17 HD11 LEU 17 1.427 3.967 -7.018 136 HD12 LEU 17 HD12 LEU 17 -0.156 3.984 -7.796 137 HD13 LEU 17 HD13 LEU 17 1.055 5.189 -8.234 138 HD21 LEU 17 HD21 LEU 17 2.713 1.531 -9.015 139 HD22 LEU 17 HD22 LEU 17 1.075 1.210 -8.446 140 HD23 LEU 17 HD23 LEU 17 2.213 2.077 -7.414 141 H SER 18 H SER 18 -2.171 2.691 -11.591 142 HA SER 18 HA SER 18 -1.366 2.678 -14.246 143 HB2 SER 18 HB2 SER 18 -4.053 2.226 -12.959 144 HB3 SER 18 HB3 SER 18 -3.826 2.080 -14.701 145 HG SER 18 HG SER 18 -3.429 0.211 -12.986 146 H VAL 19 H VAL 19 -3.901 4.678 -12.741 147 HA VAL 19 HA VAL 19 -4.713 6.130 -14.933 148 HB VAL 19 HB VAL 19 -4.394 7.142 -12.104 149 HG11 VAL 19 HG11 VAL 19 -5.938 8.239 -14.447 150 HG12 VAL 19 HG12 VAL 19 -6.199 8.742 -12.776 151 HG13 VAL 19 HG13 VAL 19 -4.639 9.025 -13.550 152 HG21 VAL 19 HG21 VAL 19 -7.074 6.511 -13.032 153 HG22 VAL 19 HG22 VAL 19 -6.006 5.107 -13.052 154 HG23 VAL 19 HG23 VAL 19 -6.242 6.014 -11.558 155 H LEU 20 H LEU 20 -2.022 6.873 -12.732 156 HA LEU 20 HA LEU 20 -1.229 9.264 -13.975 157 HB2 LEU 20 HB2 LEU 20 -0.337 8.976 -11.870 158 HB3 LEU 20 HB3 LEU 20 0.085 7.291 -12.166 159 HG LEU 20 HG LEU 20 1.988 7.965 -13.500 160 HD11 LEU 20 HD11 LEU 20 1.207 10.811 -12.890 161 HD12 LEU 20 HD12 LEU 20 0.969 10.012 -14.444 162 HD13 LEU 20 HD13 LEU 20 2.600 10.268 -13.826 163 HD21 LEU 20 HD21 LEU 20 2.714 7.758 -11.342 164 HD22 LEU 20 HD22 LEU 20 1.660 9.040 -10.744 165 HD23 LEU 20 HD23 LEU 20 3.122 9.448 -11.643 166 H VAL 21 H VAL 21 0.272 6.034 -14.219 167 HA VAL 21 HA VAL 21 2.125 6.564 -16.181 168 HB VAL 21 HB VAL 21 0.536 4.002 -16.020 169 HG11 VAL 21 HG11 VAL 21 1.843 3.698 -17.862 170 HG12 VAL 21 HG12 VAL 21 3.080 4.828 -17.309 171 HG13 VAL 21 HG13 VAL 21 2.992 3.207 -16.618 172 HG21 VAL 21 HG21 VAL 21 1.336 3.700 -13.971 173 HG22 VAL 21 HG22 VAL 21 2.971 3.749 -14.632 174 HG23 VAL 21 HG23 VAL 21 2.211 5.229 -14.048 175 H VAL 22 H VAL 22 -1.275 5.638 -16.602 176 HA VAL 22 HA VAL 22 -1.344 5.384 -19.360 177 HB VAL 22 HB VAL 22 -3.463 6.384 -17.462 178 HG11 VAL 22 HG11 VAL 22 -5.064 5.895 -19.310 179 HG12 VAL 22 HG12 VAL 22 -4.016 7.281 -19.615 180 HG13 VAL 22 HG13 VAL 22 -3.685 5.735 -20.397 181 HG21 VAL 22 HG21 VAL 22 -4.099 4.230 -17.208 182 HG22 VAL 22 HG22 VAL 22 -3.695 3.800 -18.870 183 HG23 VAL 22 HG23 VAL 22 -2.422 3.911 -17.654 184 H SER 23 H SER 23 -2.058 8.305 -17.442 185 HA SER 23 HA SER 23 -2.485 10.043 -19.575 186 HB2 SER 23 HB2 SER 23 -1.289 11.595 -17.577 187 HB3 SER 23 HB3 SER 23 -3.013 11.296 -17.789 188 HG SER 23 HG SER 23 -2.828 10.416 -15.884 189 H VAL 24 H VAL 24 0.490 9.816 -17.615 190 HA VAL 24 HA VAL 24 2.118 11.431 -19.132 191 HB VAL 24 HB VAL 24 2.931 8.907 -17.684 192 HG11 VAL 24 HG11 VAL 24 4.832 9.338 -18.862 193 HG12 VAL 24 HG12 VAL 24 4.473 11.058 -19.028 194 HG13 VAL 24 HG13 VAL 24 5.095 10.429 -17.502 195 HG21 VAL 24 HG21 VAL 24 3.043 11.751 -16.701 196 HG22 VAL 24 HG22 VAL 24 1.710 10.652 -16.347 197 HG23 VAL 24 HG23 VAL 24 3.337 10.276 -15.780 198 H VAL 25 H VAL 25 1.366 8.015 -19.622 199 HA VAL 25 HA VAL 25 3.204 7.415 -21.620 200 HB VAL 25 HB VAL 25 0.514 6.336 -20.907 201 HG11 VAL 25 HG11 VAL 25 1.962 5.863 -23.484 202 HG12 VAL 25 HG12 VAL 25 0.978 4.590 -22.758 203 HG13 VAL 25 HG13 VAL 25 0.242 6.131 -23.203 204 HG21 VAL 25 HG21 VAL 25 2.762 5.747 -19.815 205 HG22 VAL 25 HG22 VAL 25 1.699 4.421 -20.285 206 HG23 VAL 25 HG23 VAL 25 3.085 4.839 -21.292 207 H ALA 26 H ALA 26 -0.226 8.270 -22.126 208 HA ALA 26 HA ALA 26 0.000 8.633 -24.903 209 HB1 ALA 26 HB1 ALA 26 -2.191 9.521 -24.837 210 HB2 ALA 26 HB2 ALA 26 -2.118 8.294 -23.572 211 HB3 ALA 26 HB3 ALA 26 -2.023 10.003 -23.149 212 H VAL 27 H VAL 27 0.455 10.830 -22.201 213 HA VAL 27 HA VAL 27 0.395 13.285 -23.458 214 HB VAL 27 HB VAL 27 2.109 12.295 -21.189 215 HG11 VAL 27 HG11 VAL 27 3.400 14.045 -22.157 216 HG12 VAL 27 HG12 VAL 27 1.975 15.066 -22.362 217 HG13 VAL 27 HG13 VAL 27 2.587 14.717 -20.744 218 HG21 VAL 27 HG21 VAL 27 0.491 13.076 -19.810 219 HG22 VAL 27 HG22 VAL 27 0.078 14.421 -20.874 220 HG23 VAL 27 HG23 VAL 27 -0.522 12.800 -21.228 221 H LEU 28 H LEU 28 3.341 11.351 -22.879 222 HA LEU 28 HA LEU 28 4.989 12.936 -24.533 223 HB2 LEU 28 HB2 LEU 28 5.314 10.074 -23.645 224 HB3 LEU 28 HB3 LEU 28 6.575 11.049 -24.396 225 HG LEU 28 HG LEU 28 5.477 12.338 -22.042 226 HD11 LEU 28 HD11 LEU 28 7.002 9.848 -21.419 227 HD12 LEU 28 HD12 LEU 28 5.249 9.786 -21.591 228 HD13 LEU 28 HD13 LEU 28 5.978 10.832 -20.373 229 HD21 LEU 28 HD21 LEU 28 8.266 11.349 -22.607 230 HD22 LEU 28 HD22 LEU 28 7.779 12.644 -21.513 231 HD23 LEU 28 HD23 LEU 28 7.609 12.852 -23.257 232 H VAL 29 H VAL 29 2.981 10.133 -25.151 233 HA VAL 29 HA VAL 29 3.975 9.313 -27.612 234 HB VAL 29 HB VAL 29 1.178 9.266 -26.499 235 HG11 VAL 29 HG11 VAL 29 2.100 8.687 -29.229 236 HG12 VAL 29 HG12 VAL 29 1.107 7.430 -28.488 237 HG13 VAL 29 HG13 VAL 29 0.487 9.075 -28.632 238 HG21 VAL 29 HG21 VAL 29 1.757 7.311 -25.595 239 HG22 VAL 29 HG22 VAL 29 2.492 6.746 -27.095 240 HG23 VAL 29 HG23 VAL 29 3.424 7.740 -25.976 241 H TYR 30 H TYR 30 1.413 11.695 -26.948 242 HA TYR 30 HA TYR 30 1.272 12.453 -29.733 243 HB2 TYR 30 HB2 TYR 30 -0.743 12.410 -28.277 244 HB3 TYR 30 HB3 TYR 30 -0.057 13.727 -27.332 245 HD1 TYR 30 HD1 TYR 30 -0.430 13.080 -31.000 246 HD2 TYR 30 HD2 TYR 30 -1.162 15.706 -27.734 247 HE1 TYR 30 HE1 TYR 30 -1.445 14.705 -32.542 248 HE2 TYR 30 HE2 TYR 30 -2.180 17.338 -29.267 249 HH TYR 30 HH TYR 30 -2.956 17.668 -31.355 250 H LYS 31 H LYS 31 2.337 13.941 -26.693 251 HA LYS 31 HA LYS 31 3.065 16.439 -27.670 252 HB2 LYS 31 HB2 LYS 31 2.989 15.961 -25.290 253 HB3 LYS 31 HB3 LYS 31 4.316 14.817 -25.446 254 HG2 LYS 31 HG2 LYS 31 5.508 16.993 -26.441 255 HG3 LYS 31 HG3 LYS 31 4.351 17.768 -25.357 256 HD2 LYS 31 HD2 LYS 31 6.419 17.391 -24.174 257 HD3 LYS 31 HD3 LYS 31 5.173 16.325 -23.518 258 HE2 LYS 31 HE2 LYS 31 6.232 14.461 -24.206 259 HE3 LYS 31 HE3 LYS 31 6.738 15.189 -25.729 260 HZ1 LYS 31 HZ1 LYS 31 8.723 14.913 -24.633 261 HZ2 LYS 31 HZ2 LYS 31 8.073 15.255 -23.109 262 HZ3 LYS 31 HZ3 LYS 31 8.344 16.508 -24.213 263 H PHE 32 H PHE 32 5.228 13.652 -27.124 264 HA PHE 32 HA PHE 32 7.438 14.815 -28.444 265 HB2 PHE 32 HB2 PHE 32 7.224 12.732 -26.806 266 HB3 PHE 32 HB3 PHE 32 7.160 11.849 -28.327 267 HD1 PHE 32 HD1 PHE 32 9.128 11.188 -29.322 268 HD2 PHE 32 HD2 PHE 32 9.182 14.446 -26.584 269 HE1 PHE 32 HE1 PHE 32 11.582 11.271 -29.475 270 HE2 PHE 32 HE2 PHE 32 11.636 14.535 -26.733 271 HZ PHE 32 HZ PHE 32 12.840 12.946 -28.180 272 H TYR 33 H TYR 33 4.630 13.201 -29.590 273 HA TYR 33 HA TYR 33 5.364 11.991 -31.919 274 HB2 TYR 33 HB2 TYR 33 2.990 12.589 -30.826 275 HB3 TYR 33 HB3 TYR 33 3.008 13.793 -32.110 276 HD1 TYR 33 HD1 TYR 33 2.065 10.531 -31.299 277 HD2 TYR 33 HD2 TYR 33 3.725 12.811 -34.485 278 HE1 TYR 33 HE1 TYR 33 1.319 8.822 -32.903 279 HE2 TYR 33 HE2 TYR 33 2.982 11.109 -36.098 280 HH TYR 33 HH TYR 33 1.011 9.279 -36.066 281 H PHE 34 H PHE 34 5.011 15.455 -31.344 282 HA PHE 34 HA PHE 34 5.373 16.278 -34.024 283 HB2 PHE 34 HB2 PHE 34 4.655 17.552 -31.746 284 HB3 PHE 34 HB3 PHE 34 6.324 18.091 -31.889 285 HD1 PHE 34 HD1 PHE 34 3.476 17.551 -34.245 286 HD2 PHE 34 HD2 PHE 34 6.537 20.156 -32.843 287 HE1 PHE 34 HE1 PHE 34 2.782 19.246 -35.888 288 HE2 PHE 34 HE2 PHE 34 5.847 21.854 -34.484 289 HZ PHE 34 HZ PHE 34 3.967 21.401 -36.009 290 H HIS 35 H HIS 35 7.631 15.917 -31.313 291 HA HIS 35 HA HIS 35 9.931 16.930 -32.432 292 HB2 HIS 35 HB2 HIS 35 9.564 14.574 -30.579 293 HB3 HIS 35 HB3 HIS 35 11.143 15.241 -30.987 294 HD1 HIS 35 HD1 HIS 35 7.865 16.431 -29.468 295 HD2 HIS 35 HD2 HIS 35 11.941 17.225 -29.326 296 HE1 HIS 35 HE1 HIS 35 8.150 18.166 -27.670 297 H LEU 36 H LEU 36 8.521 13.718 -32.867 298 HA LEU 36 HA LEU 36 10.554 12.455 -34.241 299 HB2 LEU 36 HB2 LEU 36 7.572 12.255 -34.392 300 HB3 LEU 36 HB3 LEU 36 8.585 11.303 -35.475 301 HG LEU 36 HG LEU 36 7.908 9.958 -33.591 302 HD11 LEU 36 HD11 LEU 36 9.970 9.050 -33.073 303 HD12 LEU 36 HD12 LEU 36 10.765 10.622 -33.013 304 HD13 LEU 36 HD13 LEU 36 10.308 9.925 -34.566 305 HD21 LEU 36 HD21 LEU 36 7.501 11.789 -32.006 306 HD22 LEU 36 HD22 LEU 36 9.241 12.036 -31.856 307 HD23 LEU 36 HD23 LEU 36 8.514 10.525 -31.309 308 H MET 37 H MET 37 7.787 14.126 -35.762 309 HA MET 37 HA MET 37 8.680 14.038 -38.376 310 HB2 MET 37 HB2 MET 37 6.860 15.850 -36.863 311 HB3 MET 37 HB3 MET 37 7.358 16.339 -38.477 312 HG2 MET 37 HG2 MET 37 6.188 14.683 -39.497 313 HG3 MET 37 HG3 MET 37 6.352 13.576 -38.135 314 HE1 MET 37 HE1 MET 37 5.408 15.167 -35.680 315 HE2 MET 37 HE2 MET 37 3.666 14.895 -35.640 316 HE3 MET 37 HE3 MET 37 4.758 13.562 -36.017 317 H LEU 38 H LEU 38 9.302 16.527 -35.922 318 HA LEU 38 HA LEU 38 10.767 18.281 -37.537 319 HB2 LEU 38 HB2 LEU 38 10.606 17.763 -34.606 320 HB3 LEU 38 HB3 LEU 38 11.882 18.814 -35.217 321 HG LEU 38 HG LEU 38 10.026 20.170 -36.312 322 HD11 LEU 38 HD11 LEU 38 8.313 18.368 -36.049 323 HD12 LEU 38 HD12 LEU 38 7.810 19.955 -35.468 324 HD13 LEU 38 HD13 LEU 38 8.304 18.712 -34.319 325 HD21 LEU 38 HD21 LEU 38 10.192 21.575 -34.579 326 HD22 LEU 38 HD22 LEU 38 11.235 20.343 -33.867 327 HD23 LEU 38 HD23 LEU 38 9.523 20.404 -33.442 328 H LEU 39 H LEU 39 11.727 15.396 -35.778 329 HA LEU 39 HA LEU 39 14.537 15.780 -36.203 330 HB2 LEU 39 HB2 LEU 39 12.803 13.667 -35.055 331 HB3 LEU 39 HB3 LEU 39 14.399 13.183 -35.624 332 HG LEU 39 HG LEU 39 14.716 15.492 -34.001 333 HD11 LEU 39 HD11 LEU 39 13.901 14.163 -31.867 334 HD12 LEU 39 HD12 LEU 39 12.716 13.535 -33.011 335 HD13 LEU 39 HD13 LEU 39 12.837 15.272 -32.733 336 HD21 LEU 39 HD21 LEU 39 16.096 13.993 -32.679 337 HD22 LEU 39 HD22 LEU 39 16.370 13.724 -34.401 338 HD23 LEU 39 HD23 LEU 39 15.376 12.596 -33.478 339 H ALA 40 H ALA 40 11.949 14.025 -37.808 340 HA ALA 40 HA ALA 40 13.529 12.471 -39.540 341 HB1 ALA 40 HB1 ALA 40 10.944 12.462 -39.012 342 HB2 ALA 40 HB2 ALA 40 10.883 13.470 -40.458 343 HB3 ALA 40 HB3 ALA 40 11.572 11.849 -40.541 344 H GLY 41 H GLY 41 11.933 15.617 -40.072 345 HA2 GLY 41 HA2 GLY 41 13.366 15.930 -42.593 346 HA3 GLY 41 HA3 GLY 41 12.114 16.992 -41.968 347 H CYS 42 H CYS 42 14.806 15.996 -39.992 348 HA CYS 42 HA CYS 42 15.632 18.776 -39.764 349 HB2 CYS 42 HB2 CYS 42 15.444 16.715 -37.941 350 HB3 CYS 42 HB3 CYS 42 17.174 16.799 -38.252 351 HG CYS 42 HG CYS 42 16.673 19.825 -37.862 352 H ILE 43 H ILE 43 16.765 15.756 -41.083 353 HA ILE 43 HA ILE 43 18.565 15.203 -42.360 354 HB ILE 43 HB ILE 43 18.828 18.163 -42.881 355 HG12 ILE 43 HG12 ILE 43 17.491 16.992 -45.025 356 HG13 ILE 43 HG13 ILE 43 16.729 16.283 -43.605 357 HG21 ILE 43 HG21 ILE 43 19.383 16.276 -45.034 358 HG22 ILE 43 HG22 ILE 43 20.322 17.655 -44.465 359 HG23 ILE 43 HG23 ILE 43 20.458 16.098 -43.648 360 HD11 ILE 43 HD11 ILE 43 15.434 18.112 -43.761 361 HD12 ILE 43 HD12 ILE 43 16.758 18.857 -42.865 362 HD13 ILE 43 HD13 ILE 43 16.662 19.045 -44.616 363 H LYS 44 H LYS 44 19.499 14.758 -40.143 364 HA LYS 44 HA LYS 44 22.100 16.061 -39.987 365 HB2 LYS 44 HB2 LYS 44 20.000 16.196 -37.882 366 HB3 LYS 44 HB3 LYS 44 21.661 15.955 -37.356 367 HG2 LYS 44 HG2 LYS 44 22.208 17.981 -38.836 368 HG3 LYS 44 HG3 LYS 44 20.470 18.284 -38.811 369 HD2 LYS 44 HD2 LYS 44 20.673 18.100 -36.259 370 HD3 LYS 44 HD3 LYS 44 22.411 18.272 -36.518 371 HE2 LYS 44 HE2 LYS 44 22.110 20.411 -37.549 372 HE3 LYS 44 HE3 LYS 44 20.358 20.217 -37.560 373 HZ1 LYS 44 HZ1 LYS 44 20.338 21.237 -35.609 374 HZ2 LYS 44 HZ2 LYS 44 22.026 21.228 -35.506 375 HZ3 LYS 44 HZ3 LYS 44 21.138 19.908 -34.933 376 H TYR 45 H TYR 45 23.623 14.865 -38.611 377 HA TYR 45 HA TYR 45 23.419 12.061 -39.079 378 HB2 TYR 45 HB2 TYR 45 25.432 13.768 -37.621 379 HB3 TYR 45 HB3 TYR 45 25.579 12.016 -37.712 380 HD1 TYR 45 HD1 TYR 45 25.611 10.970 -40.071 381 HD2 TYR 45 HD2 TYR 45 26.289 15.104 -39.327 382 HE1 TYR 45 HE1 TYR 45 26.726 11.174 -42.254 383 HE2 TYR 45 HE2 TYR 45 27.405 15.319 -41.509 384 HH TYR 45 HH TYR 45 27.246 12.913 -43.900 385 H GLY 46 H GLY 46 23.100 10.385 -37.658 386 HA2 GLY 46 HA2 GLY 46 23.169 10.052 -35.052 387 HA3 GLY 46 HA3 GLY 46 21.779 11.123 -35.151 388 H ARG 47 H ARG 47 21.778 8.461 -34.120 389 HA ARG 47 HA ARG 47 19.919 7.216 -36.032 390 HB2 ARG 47 HB2 ARG 47 22.292 6.122 -35.642 391 HB3 ARG 47 HB3 ARG 47 21.524 5.504 -34.185 392 HG2 ARG 47 HG2 ARG 47 20.101 5.163 -36.769 393 HG3 ARG 47 HG3 ARG 47 21.510 4.150 -36.443 394 HD2 ARG 47 HD2 ARG 47 20.335 3.745 -34.151 395 HD3 ARG 47 HD3 ARG 47 18.891 4.281 -35.010 396 HE ARG 47 HE ARG 47 18.849 2.273 -36.094 397 HH11 ARG 47 HH11 ARG 47 22.030 2.764 -34.767 398 HH12 ARG 47 HH12 ARG 47 22.592 1.180 -35.186 399 HH21 ARG 47 HH21 ARG 47 19.577 0.185 -36.651 400 HH22 ARG 47 HH22 ARG 47 21.196 -0.286 -36.259 401 H GLY 48 H GLY 48 17.947 7.315 -35.186 402 HA2 GLY 48 HA2 GLY 48 17.636 6.669 -32.323 403 HA3 GLY 48 HA3 GLY 48 16.795 8.039 -33.034 Start of MODEL 7 1 H1 MET 1 H MET 1 4.164 2.303 -2.636 2 HA MET 1 HA MET 1 1.810 0.648 -2.841 3 HB2 MET 1 HB2 MET 1 2.864 2.666 -4.827 4 HB3 MET 1 HB3 MET 1 1.233 2.015 -4.747 5 HG2 MET 1 HG2 MET 1 2.546 3.784 -2.698 6 HG3 MET 1 HG3 MET 1 1.309 4.263 -3.858 7 HE1 MET 1 HE1 MET 1 1.074 4.867 -0.800 8 HE2 MET 1 HE2 MET 1 -0.247 5.259 -1.902 9 HE3 MET 1 HE3 MET 1 -0.575 4.372 -0.412 10 H ASN 2 H ASN 2 3.708 -1.147 -2.903 11 HA ASN 2 HA ASN 2 3.993 -1.866 -5.747 12 HB2 ASN 2 HB2 ASN 2 5.922 -2.599 -3.535 13 HB3 ASN 2 HB3 ASN 2 6.108 -2.937 -5.253 14 HD21 ASN 2 HD21 ASN 2 8.109 -1.682 -3.991 15 HD22 ASN 2 HD22 ASN 2 8.185 -0.020 -4.459 16 H ILE 3 H ILE 3 1.732 -2.677 -4.786 17 HA ILE 3 HA ILE 3 2.104 -5.544 -4.387 18 HB ILE 3 HB ILE 3 0.121 -5.408 -2.709 19 HG12 ILE 3 HG12 ILE 3 1.382 -2.715 -2.184 20 HG13 ILE 3 HG13 ILE 3 -0.112 -2.908 -3.094 21 HG21 ILE 3 HG21 ILE 3 2.809 -4.495 -1.718 22 HG22 ILE 3 HG22 ILE 3 1.632 -5.517 -0.895 23 HG23 ILE 3 HG23 ILE 3 2.507 -6.133 -2.296 24 HD11 ILE 3 HD11 ILE 3 0.383 -3.587 -0.212 25 HD12 ILE 3 HD12 ILE 3 -0.699 -2.359 -0.869 26 HD13 ILE 3 HD13 ILE 3 -1.066 -4.070 -1.093 27 H THR 4 H THR 4 0.053 -6.757 -4.696 28 HA THR 4 HA THR 4 -2.152 -5.441 -5.976 29 HB THR 4 HB THR 4 -0.654 -7.368 -7.735 30 HG1 THR 4 HG1 THR 4 0.760 -5.838 -8.070 31 HG21 THR 4 HG21 THR 4 -2.887 -7.082 -8.440 32 HG22 THR 4 HG22 THR 4 -1.937 -6.023 -9.482 33 HG23 THR 4 HG23 THR 4 -2.847 -5.346 -8.132 34 H SER 5 H SER 5 -3.374 -6.523 -4.427 35 HA SER 5 HA SER 5 -3.855 -9.344 -5.034 36 HB2 SER 5 HB2 SER 5 -2.272 -9.024 -3.013 37 HB3 SER 5 HB3 SER 5 -3.707 -8.450 -2.163 38 HG SER 5 HG SER 5 -3.906 -10.529 -1.789 39 H GLN 6 H GLN 6 -5.737 -9.918 -3.151 40 HA GLN 6 HA GLN 6 -7.971 -8.345 -4.087 41 HB2 GLN 6 HB2 GLN 6 -7.979 -10.655 -2.141 42 HB3 GLN 6 HB3 GLN 6 -9.362 -10.005 -3.011 43 HG2 GLN 6 HG2 GLN 6 -7.828 -10.614 -5.097 44 HG3 GLN 6 HG3 GLN 6 -7.194 -11.787 -3.944 45 HE21 GLN 6 HE21 GLN 6 -8.103 -13.687 -4.180 46 HE22 GLN 6 HE22 GLN 6 -9.759 -13.991 -4.567 47 H MET 7 H MET 7 -6.597 -6.571 -2.748 48 HA MET 7 HA MET 7 -8.013 -6.301 -0.180 49 HB2 MET 7 HB2 MET 7 -5.279 -6.570 -0.466 50 HB3 MET 7 HB3 MET 7 -5.495 -4.828 -0.349 51 HG2 MET 7 HG2 MET 7 -7.066 -5.622 1.677 52 HG3 MET 7 HG3 MET 7 -5.885 -6.930 1.674 53 HE1 MET 7 HE1 MET 7 -3.174 -6.194 1.326 54 HE2 MET 7 HE2 MET 7 -3.546 -4.801 0.310 55 HE3 MET 7 HE3 MET 7 -2.582 -4.593 1.773 56 H ASN 8 H ASN 8 -8.546 -4.149 0.457 57 HA ASN 8 HA ASN 8 -9.501 -2.535 -1.642 58 HB2 ASN 8 HB2 ASN 8 -9.233 -2.156 1.326 59 HB3 ASN 8 HB3 ASN 8 -9.758 -0.820 0.304 60 HD21 ASN 8 HD21 ASN 8 -11.561 -1.343 1.999 61 HD22 ASN 8 HD22 ASN 8 -12.841 -2.333 1.394 62 H LYS 9 H LYS 9 -6.849 -1.957 0.669 63 HA LYS 9 HA LYS 9 -5.943 0.463 -0.277 64 HB2 LYS 9 HB2 LYS 9 -4.532 -1.864 0.990 65 HB3 LYS 9 HB3 LYS 9 -3.625 -0.447 0.477 66 HG2 LYS 9 HG2 LYS 9 -5.216 0.921 1.886 67 HG3 LYS 9 HG3 LYS 9 -5.789 -0.610 2.552 68 HD2 LYS 9 HD2 LYS 9 -2.880 0.154 2.547 69 HD3 LYS 9 HD3 LYS 9 -3.973 0.610 3.856 70 HE2 LYS 9 HE2 LYS 9 -4.565 -1.883 3.964 71 HE3 LYS 9 HE3 LYS 9 -3.119 -2.134 2.987 72 HZ1 LYS 9 HZ1 LYS 9 -2.472 -0.437 5.121 73 HZ2 LYS 9 HZ2 LYS 9 -1.900 -1.998 4.811 74 HZ3 LYS 9 HZ3 LYS 9 -3.289 -1.779 5.751 75 H THR 10 H THR 10 -5.042 -2.779 -1.408 76 HA THR 10 HA THR 10 -3.140 -2.022 -3.304 77 HB THR 10 HB THR 10 -4.273 -4.225 -4.465 78 HG1 THR 10 HG1 THR 10 -5.755 -4.834 -3.048 79 HG21 THR 10 HG21 THR 10 -2.242 -5.006 -3.983 80 HG22 THR 10 HG22 THR 10 -2.629 -5.067 -2.264 81 HG23 THR 10 HG23 THR 10 -1.980 -3.587 -2.970 82 H ILE 11 H ILE 11 -6.652 -2.288 -3.556 83 HA ILE 11 HA ILE 11 -6.900 -1.955 -6.322 84 HB ILE 11 HB ILE 11 -8.788 -1.119 -4.119 85 HG12 ILE 11 HG12 ILE 11 -9.220 -3.448 -5.939 86 HG13 ILE 11 HG13 ILE 11 -8.058 -3.614 -4.627 87 HG21 ILE 11 HG21 ILE 11 -9.074 -1.100 -7.099 88 HG22 ILE 11 HG22 ILE 11 -10.479 -1.321 -6.057 89 HG23 ILE 11 HG23 ILE 11 -9.509 0.146 -5.929 90 HD11 ILE 11 HD11 ILE 11 -10.779 -4.033 -4.483 91 HD12 ILE 11 HD12 ILE 11 -9.668 -3.860 -3.124 92 HD13 ILE 11 HD13 ILE 11 -10.552 -2.457 -3.725 93 H ILE 12 H ILE 12 -6.642 0.418 -3.720 94 HA ILE 12 HA ILE 12 -7.132 2.698 -5.335 95 HB ILE 12 HB ILE 12 -5.447 2.768 -2.851 96 HG12 ILE 12 HG12 ILE 12 -8.433 2.369 -3.060 97 HG13 ILE 12 HG13 ILE 12 -7.269 1.361 -2.207 98 HG21 ILE 12 HG21 ILE 12 -7.545 4.668 -3.886 99 HG22 ILE 12 HG22 ILE 12 -6.429 4.936 -2.547 100 HG23 ILE 12 HG23 ILE 12 -5.816 4.825 -4.197 101 HD11 ILE 12 HD11 ILE 12 -6.870 3.665 -0.918 102 HD12 ILE 12 HD12 ILE 12 -8.556 3.881 -1.390 103 HD13 ILE 12 HD13 ILE 12 -8.081 2.479 -0.431 104 H GLY 13 H GLY 13 -4.088 1.407 -3.982 105 HA2 GLY 13 HA2 GLY 13 -2.360 3.175 -5.280 106 HA3 GLY 13 HA3 GLY 13 -1.922 1.568 -4.721 107 H VAL 14 H VAL 14 -3.063 -0.191 -6.239 108 HA VAL 14 HA VAL 14 -1.684 -0.246 -8.615 109 HB VAL 14 HB VAL 14 -4.334 -1.576 -8.029 110 HG11 VAL 14 HG11 VAL 14 -3.464 -3.240 -9.747 111 HG12 VAL 14 HG12 VAL 14 -4.055 -1.695 -10.361 112 HG13 VAL 14 HG13 VAL 14 -2.320 -1.985 -10.221 113 HG21 VAL 14 HG21 VAL 14 -2.303 -1.987 -6.506 114 HG22 VAL 14 HG22 VAL 14 -3.145 -3.389 -7.166 115 HG23 VAL 14 HG23 VAL 14 -1.625 -2.855 -7.884 116 H SER 15 H SER 15 -5.074 0.730 -8.141 117 HA SER 15 HA SER 15 -5.703 1.296 -10.787 118 HB2 SER 15 HB2 SER 15 -7.474 1.252 -9.194 119 HB3 SER 15 HB3 SER 15 -6.710 2.496 -8.205 120 HG SER 15 HG SER 15 -8.300 3.487 -9.383 121 H VAL 16 H VAL 16 -4.167 3.332 -8.342 122 HA VAL 16 HA VAL 16 -4.105 5.690 -9.928 123 HB VAL 16 HB VAL 16 -2.391 4.913 -7.564 124 HG11 VAL 16 HG11 VAL 16 -2.340 7.553 -7.467 125 HG12 VAL 16 HG12 VAL 16 -1.172 6.643 -8.427 126 HG13 VAL 16 HG13 VAL 16 -2.570 7.384 -9.207 127 HG21 VAL 16 HG21 VAL 16 -5.126 5.543 -7.722 128 HG22 VAL 16 HG22 VAL 16 -4.135 5.391 -6.271 129 HG23 VAL 16 HG23 VAL 16 -4.325 6.963 -7.048 130 H LEU 17 H LEU 17 -1.678 3.198 -9.198 131 HA LEU 17 HA LEU 17 0.503 4.234 -10.514 132 HB2 LEU 17 HB2 LEU 17 -0.449 1.492 -9.910 133 HB3 LEU 17 HB3 LEU 17 0.863 1.654 -11.076 134 HG LEU 17 HG LEU 17 1.785 1.209 -8.904 135 HD11 LEU 17 HD11 LEU 17 2.637 3.155 -10.521 136 HD12 LEU 17 HD12 LEU 17 3.443 2.744 -9.008 137 HD13 LEU 17 HD13 LEU 17 2.329 4.110 -9.070 138 HD21 LEU 17 HD21 LEU 17 0.116 3.550 -8.016 139 HD22 LEU 17 HD22 LEU 17 1.446 2.892 -7.063 140 HD23 LEU 17 HD23 LEU 17 0.047 1.885 -7.438 141 H SER 18 H SER 18 -2.130 2.290 -11.886 142 HA SER 18 HA SER 18 -1.098 2.200 -14.514 143 HB2 SER 18 HB2 SER 18 -2.962 0.763 -13.458 144 HB3 SER 18 HB3 SER 18 -4.039 2.099 -13.866 145 HG SER 18 HG SER 18 -2.510 0.479 -15.610 146 H VAL 19 H VAL 19 -3.600 4.267 -13.047 147 HA VAL 19 HA VAL 19 -4.283 5.806 -15.220 148 HB VAL 19 HB VAL 19 -3.999 6.707 -12.351 149 HG11 VAL 19 HG11 VAL 19 -4.038 8.636 -13.809 150 HG12 VAL 19 HG12 VAL 19 -5.449 8.000 -14.657 151 HG13 VAL 19 HG13 VAL 19 -5.582 8.494 -12.969 152 HG21 VAL 19 HG21 VAL 19 -5.706 4.834 -13.442 153 HG22 VAL 19 HG22 VAL 19 -5.947 5.700 -11.924 154 HG23 VAL 19 HG23 VAL 19 -6.676 6.307 -13.411 155 H LEU 20 H LEU 20 -1.474 6.124 -13.114 156 HA LEU 20 HA LEU 20 -0.569 8.595 -14.179 157 HB2 LEU 20 HB2 LEU 20 0.299 8.104 -12.092 158 HB3 LEU 20 HB3 LEU 20 0.647 6.430 -12.519 159 HG LEU 20 HG LEU 20 2.573 7.110 -13.802 160 HD11 LEU 20 HD11 LEU 20 1.673 9.227 -14.657 161 HD12 LEU 20 HD12 LEU 20 3.279 9.425 -13.955 162 HD13 LEU 20 HD13 LEU 20 1.853 9.941 -13.054 163 HD21 LEU 20 HD21 LEU 20 2.993 8.754 -11.386 164 HD22 LEU 20 HD22 LEU 20 3.928 7.398 -12.017 165 HD23 LEU 20 HD23 LEU 20 2.437 7.101 -11.121 166 H VAL 21 H VAL 21 0.725 5.295 -14.609 167 HA VAL 21 HA VAL 21 2.572 5.830 -16.584 168 HB VAL 21 HB VAL 21 0.881 3.332 -16.487 169 HG11 VAL 21 HG11 VAL 21 3.125 2.350 -17.251 170 HG12 VAL 21 HG12 VAL 21 2.174 3.254 -18.431 171 HG13 VAL 21 HG13 VAL 21 3.562 4.011 -17.649 172 HG21 VAL 21 HG21 VAL 21 2.652 4.411 -14.510 173 HG22 VAL 21 HG22 VAL 21 1.704 2.925 -14.464 174 HG23 VAL 21 HG23 VAL 21 3.324 2.916 -15.162 175 H VAL 22 H VAL 22 -0.860 5.001 -16.983 176 HA VAL 22 HA VAL 22 -0.958 4.922 -19.759 177 HB VAL 22 HB VAL 22 -3.068 5.772 -17.777 178 HG11 VAL 22 HG11 VAL 22 -4.682 5.372 -19.630 179 HG12 VAL 22 HG12 VAL 22 -3.647 6.779 -19.876 180 HG13 VAL 22 HG13 VAL 22 -3.315 5.278 -20.740 181 HG21 VAL 22 HG21 VAL 22 -2.081 3.380 -17.881 182 HG22 VAL 22 HG22 VAL 22 -3.833 3.582 -17.833 183 HG23 VAL 22 HG23 VAL 22 -3.027 3.233 -19.363 184 H SER 23 H SER 23 -1.737 7.687 -17.642 185 HA SER 23 HA SER 23 -2.196 9.569 -19.628 186 HB2 SER 23 HB2 SER 23 -2.802 10.317 -17.521 187 HB3 SER 23 HB3 SER 23 -1.313 9.740 -16.773 188 HG SER 23 HG SER 23 -0.725 11.751 -16.946 189 H VAL 24 H VAL 24 0.821 9.220 -17.751 190 HA VAL 24 HA VAL 24 2.400 10.967 -19.180 191 HB VAL 24 HB VAL 24 3.272 8.363 -17.920 192 HG11 VAL 24 HG11 VAL 24 5.152 8.896 -19.084 193 HG12 VAL 24 HG12 VAL 24 4.757 10.615 -19.151 194 HG13 VAL 24 HG13 VAL 24 5.413 9.918 -17.670 195 HG21 VAL 24 HG21 VAL 24 3.637 9.559 -15.923 196 HG22 VAL 24 HG22 VAL 24 3.426 11.117 -16.723 197 HG23 VAL 24 HG23 VAL 24 2.039 10.056 -16.480 198 H VAL 25 H VAL 25 1.749 7.553 -19.855 199 HA VAL 25 HA VAL 25 3.535 7.112 -21.920 200 HB VAL 25 HB VAL 25 0.871 5.968 -21.233 201 HG11 VAL 25 HG11 VAL 25 2.239 5.686 -23.884 202 HG12 VAL 25 HG12 VAL 25 1.249 4.381 -23.227 203 HG13 VAL 25 HG13 VAL 25 0.533 5.964 -23.536 204 HG21 VAL 25 HG21 VAL 25 2.106 4.312 -20.391 205 HG22 VAL 25 HG22 VAL 25 3.059 4.168 -21.868 206 HG23 VAL 25 HG23 VAL 25 3.503 5.358 -20.644 207 H ALA 26 H ALA 26 0.111 8.053 -22.299 208 HA ALA 26 HA ALA 26 0.315 8.586 -25.064 209 HB1 ALA 26 HB1 ALA 26 -1.794 8.123 -23.762 210 HB2 ALA 26 HB2 ALA 26 -1.715 9.793 -23.200 211 HB3 ALA 26 HB3 ALA 26 -1.885 9.449 -24.921 212 H VAL 27 H VAL 27 0.749 10.584 -22.206 213 HA VAL 27 HA VAL 27 0.660 13.124 -23.277 214 HB VAL 27 HB VAL 27 2.391 11.985 -21.093 215 HG11 VAL 27 HG11 VAL 27 3.664 13.813 -21.940 216 HG12 VAL 27 HG12 VAL 27 2.230 14.836 -22.052 217 HG13 VAL 27 HG13 VAL 27 2.859 14.367 -20.473 218 HG21 VAL 27 HG21 VAL 27 0.415 14.073 -20.521 219 HG22 VAL 27 HG22 VAL 27 -0.270 12.574 -21.149 220 HG23 VAL 27 HG23 VAL 27 0.726 12.546 -19.694 221 H LEU 28 H LEU 28 3.583 11.103 -22.933 222 HA LEU 28 HA LEU 28 5.226 12.852 -24.446 223 HB2 LEU 28 HB2 LEU 28 5.580 9.933 -23.782 224 HB3 LEU 28 HB3 LEU 28 6.828 10.978 -24.457 225 HG LEU 28 HG LEU 28 5.700 12.029 -21.987 226 HD11 LEU 28 HD11 LEU 28 5.589 9.458 -21.744 227 HD12 LEU 28 HD12 LEU 28 6.355 10.407 -20.470 228 HD13 LEU 28 HD13 LEU 28 7.348 9.555 -21.652 229 HD21 LEU 28 HD21 LEU 28 8.176 12.028 -21.433 230 HD22 LEU 28 HD22 LEU 28 7.680 12.987 -22.828 231 HD23 LEU 28 HD23 LEU 28 8.437 11.412 -23.065 232 H VAL 29 H VAL 29 3.271 10.048 -25.249 233 HA VAL 29 HA VAL 29 4.264 9.534 -27.817 234 HB VAL 29 HB VAL 29 1.538 9.084 -26.615 235 HG11 VAL 29 HG11 VAL 29 2.406 8.859 -29.404 236 HG12 VAL 29 HG12 VAL 29 1.639 7.407 -28.758 237 HG13 VAL 29 HG13 VAL 29 0.782 8.949 -28.723 238 HG21 VAL 29 HG21 VAL 29 2.305 7.075 -25.969 239 HG22 VAL 29 HG22 VAL 29 3.205 6.825 -27.464 240 HG23 VAL 29 HG23 VAL 29 3.899 7.802 -26.170 241 H TYR 30 H TYR 30 1.655 11.679 -26.734 242 HA TYR 30 HA TYR 30 1.127 12.596 -29.422 243 HB2 TYR 30 HB2 TYR 30 -0.679 12.388 -27.733 244 HB3 TYR 30 HB3 TYR 30 0.087 13.660 -26.787 245 HD1 TYR 30 HD1 TYR 30 0.187 15.979 -27.699 246 HD2 TYR 30 HD2 TYR 30 -2.044 12.901 -29.610 247 HE1 TYR 30 HE1 TYR 30 -1.060 17.678 -28.966 248 HE2 TYR 30 HE2 TYR 30 -3.297 14.592 -30.883 249 HH TYR 30 HH TYR 30 -2.717 18.061 -30.396 250 H LYS 31 H LYS 31 2.545 13.940 -26.461 251 HA LYS 31 HA LYS 31 3.075 16.512 -27.440 252 HB2 LYS 31 HB2 LYS 31 3.189 16.058 -25.076 253 HB3 LYS 31 HB3 LYS 31 4.475 14.883 -25.315 254 HG2 LYS 31 HG2 LYS 31 5.665 17.017 -26.383 255 HG3 LYS 31 HG3 LYS 31 4.586 17.835 -25.250 256 HD2 LYS 31 HD2 LYS 31 6.720 17.405 -24.189 257 HD3 LYS 31 HD3 LYS 31 5.467 16.418 -23.432 258 HE2 LYS 31 HE2 LYS 31 6.357 14.476 -24.184 259 HE3 LYS 31 HE3 LYS 31 6.906 15.190 -25.699 260 HZ1 LYS 31 HZ1 LYS 31 8.780 14.569 -24.342 261 HZ2 LYS 31 HZ2 LYS 31 8.207 15.494 -23.047 262 HZ3 LYS 31 HZ3 LYS 31 8.717 16.255 -24.468 263 H PHE 32 H PHE 32 5.362 13.794 -27.070 264 HA PHE 32 HA PHE 32 7.453 15.017 -28.498 265 HB2 PHE 32 HB2 PHE 32 7.315 12.828 -26.960 266 HB3 PHE 32 HB3 PHE 32 7.243 12.052 -28.538 267 HD1 PHE 32 HD1 PHE 32 9.175 11.754 -29.822 268 HD2 PHE 32 HD2 PHE 32 9.259 14.351 -26.450 269 HE1 PHE 32 HE1 PHE 32 11.622 11.923 -30.017 270 HE2 PHE 32 HE2 PHE 32 11.705 14.525 -26.641 271 HZ PHE 32 HZ PHE 32 12.890 13.310 -28.426 272 H TYR 33 H TYR 33 4.593 13.423 -29.541 273 HA TYR 33 HA TYR 33 5.155 12.311 -31.950 274 HB2 TYR 33 HB2 TYR 33 2.862 12.930 -30.713 275 HB3 TYR 33 HB3 TYR 33 2.848 14.187 -31.944 276 HD1 TYR 33 HD1 TYR 33 3.204 10.500 -31.533 277 HD2 TYR 33 HD2 TYR 33 2.055 13.707 -34.082 278 HE1 TYR 33 HE1 TYR 33 2.326 8.882 -33.163 279 HE2 TYR 33 HE2 TYR 33 1.173 12.098 -35.719 280 HH TYR 33 HH TYR 33 0.831 8.736 -34.991 281 H PHE 34 H PHE 34 4.564 15.782 -31.415 282 HA PHE 34 HA PHE 34 5.004 16.606 -34.055 283 HB2 PHE 34 HB2 PHE 34 4.204 17.856 -31.783 284 HB3 PHE 34 HB3 PHE 34 5.844 18.479 -31.929 285 HD1 PHE 34 HD1 PHE 34 3.059 17.756 -34.311 286 HD2 PHE 34 HD2 PHE 34 5.925 20.557 -32.876 287 HE1 PHE 34 HE1 PHE 34 2.282 19.397 -35.972 288 HE2 PHE 34 HE2 PHE 34 5.152 22.203 -34.533 289 HZ PHE 34 HZ PHE 34 3.328 21.624 -36.083 290 H HIS 35 H HIS 35 7.238 16.497 -31.290 291 HA HIS 35 HA HIS 35 9.497 17.541 -32.484 292 HB2 HIS 35 HB2 HIS 35 9.299 15.321 -30.440 293 HB3 HIS 35 HB3 HIS 35 10.788 16.170 -30.846 294 HD1 HIS 35 HD1 HIS 35 10.496 16.612 -28.115 295 HD2 HIS 35 HD2 HIS 35 8.055 18.740 -30.718 296 HE1 HIS 35 HE1 HIS 35 9.664 18.585 -26.796 297 H LEU 36 H LEU 36 8.328 14.196 -32.534 298 HA LEU 36 HA LEU 36 10.453 12.973 -33.813 299 HB2 LEU 36 HB2 LEU 36 7.509 12.420 -34.145 300 HB3 LEU 36 HB3 LEU 36 8.805 11.335 -34.644 301 HG LEU 36 HG LEU 36 8.556 12.186 -31.782 302 HD11 LEU 36 HD11 LEU 36 7.346 9.614 -32.453 303 HD12 LEU 36 HD12 LEU 36 6.451 11.006 -33.061 304 HD13 LEU 36 HD13 LEU 36 6.805 10.870 -31.339 305 HD21 LEU 36 HD21 LEU 36 10.547 10.929 -32.826 306 HD22 LEU 36 HD22 LEU 36 9.456 9.544 -32.872 307 HD23 LEU 36 HD23 LEU 36 9.850 10.306 -31.331 308 H MET 37 H MET 37 7.515 14.259 -35.383 309 HA MET 37 HA MET 37 8.275 13.895 -38.013 310 HB2 MET 37 HB2 MET 37 6.368 15.626 -36.589 311 HB3 MET 37 HB3 MET 37 6.870 16.232 -38.162 312 HG2 MET 37 HG2 MET 37 5.832 14.569 -39.294 313 HG3 MET 37 HG3 MET 37 6.073 13.390 -38.007 314 HE1 MET 37 HE1 MET 37 3.791 14.637 -35.315 315 HE2 MET 37 HE2 MET 37 3.522 13.046 -36.027 316 HE3 MET 37 HE3 MET 37 5.166 13.650 -35.812 317 H LEU 38 H LEU 38 9.045 16.565 -35.833 318 HA LEU 38 HA LEU 38 10.294 18.217 -37.753 319 HB2 LEU 38 HB2 LEU 38 10.220 18.058 -34.793 320 HB3 LEU 38 HB3 LEU 38 11.528 18.987 -35.523 321 HG LEU 38 HG LEU 38 9.491 20.096 -36.826 322 HD11 LEU 38 HD11 LEU 38 7.622 20.402 -35.183 323 HD12 LEU 38 HD12 LEU 38 8.302 19.060 -34.263 324 HD13 LEU 38 HD13 LEU 38 7.726 18.797 -35.908 325 HD21 LEU 38 HD21 LEU 38 10.881 21.538 -35.693 326 HD22 LEU 38 HD22 LEU 38 10.693 20.687 -34.159 327 HD23 LEU 38 HD23 LEU 38 9.387 21.704 -34.770 328 H LEU 39 H LEU 39 11.600 15.842 -35.458 329 HA LEU 39 HA LEU 39 14.308 16.192 -36.155 330 HB2 LEU 39 HB2 LEU 39 12.722 14.139 -34.719 331 HB3 LEU 39 HB3 LEU 39 14.323 13.673 -35.290 332 HG LEU 39 HG LEU 39 14.402 14.372 -32.967 333 HD11 LEU 39 HD11 LEU 39 15.677 16.654 -34.382 334 HD12 LEU 39 HD12 LEU 39 16.177 15.017 -34.805 335 HD13 LEU 39 HD13 LEU 39 16.329 15.582 -33.141 336 HD21 LEU 39 HD21 LEU 39 13.172 16.904 -34.026 337 HD22 LEU 39 HD22 LEU 39 14.002 16.821 -32.472 338 HD23 LEU 39 HD23 LEU 39 12.563 15.840 -32.758 339 H ALA 40 H ALA 40 11.768 14.126 -37.442 340 HA ALA 40 HA ALA 40 13.455 12.563 -39.114 341 HB1 ALA 40 HB1 ALA 40 10.623 12.986 -39.879 342 HB2 ALA 40 HB2 ALA 40 11.561 11.496 -39.775 343 HB3 ALA 40 HB3 ALA 40 10.940 12.251 -38.307 344 H GLY 41 H GLY 41 11.300 15.325 -39.790 345 HA2 GLY 41 HA2 GLY 41 12.421 15.556 -42.474 346 HA3 GLY 41 HA3 GLY 41 11.067 16.472 -41.828 347 H CYS 42 H CYS 42 14.062 16.167 -40.071 348 HA CYS 42 HA CYS 42 14.375 19.028 -40.052 349 HB2 CYS 42 HB2 CYS 42 15.191 16.860 -38.410 350 HB3 CYS 42 HB3 CYS 42 16.648 17.693 -38.937 351 HG CYS 42 HG CYS 42 16.187 20.032 -37.733 352 H ILE 43 H ILE 43 15.828 16.311 -41.679 353 HA ILE 43 HA ILE 43 17.641 18.173 -43.072 354 HB ILE 43 HB ILE 43 18.165 15.236 -42.618 355 HG12 ILE 43 HG12 ILE 43 19.355 17.625 -41.192 356 HG13 ILE 43 HG13 ILE 43 18.208 16.489 -40.491 357 HG21 ILE 43 HG21 ILE 43 20.451 15.836 -43.347 358 HG22 ILE 43 HG22 ILE 43 19.237 16.091 -44.599 359 HG23 ILE 43 HG23 ILE 43 19.878 17.466 -43.701 360 HD11 ILE 43 HD11 ILE 43 20.227 14.862 -41.406 361 HD12 ILE 43 HD12 ILE 43 21.081 16.282 -40.800 362 HD13 ILE 43 HD13 ILE 43 19.985 15.394 -39.742 363 H LYS 44 H LYS 44 17.931 17.884 -45.294 364 HA LYS 44 HA LYS 44 15.703 17.182 -46.789 365 HB2 LYS 44 HB2 LYS 44 17.168 17.303 -48.752 366 HB3 LYS 44 HB3 LYS 44 17.476 18.633 -47.644 367 HG2 LYS 44 HG2 LYS 44 19.618 18.058 -48.040 368 HG3 LYS 44 HG3 LYS 44 19.301 16.902 -46.744 369 HD2 LYS 44 HD2 LYS 44 20.178 15.486 -48.307 370 HD3 LYS 44 HD3 LYS 44 18.477 15.410 -48.770 371 HE2 LYS 44 HE2 LYS 44 18.822 16.991 -50.535 372 HE3 LYS 44 HE3 LYS 44 20.468 17.313 -49.993 373 HZ1 LYS 44 HZ1 LYS 44 19.888 15.617 -51.942 374 HZ2 LYS 44 HZ2 LYS 44 19.844 14.547 -50.633 375 HZ3 LYS 44 HZ3 LYS 44 21.245 15.441 -50.946 376 H TYR 45 H TYR 45 15.767 15.508 -48.619 377 HA TYR 45 HA TYR 45 17.110 13.028 -47.945 378 HB2 TYR 45 HB2 TYR 45 14.852 13.232 -46.659 379 HB3 TYR 45 HB3 TYR 45 14.123 12.902 -48.227 380 HD1 TYR 45 HD1 TYR 45 13.724 10.703 -48.817 381 HD2 TYR 45 HD2 TYR 45 16.743 11.539 -45.939 382 HE1 TYR 45 HE1 TYR 45 14.048 8.290 -48.465 383 HE2 TYR 45 HE2 TYR 45 17.076 9.129 -45.579 384 HH TYR 45 HH TYR 45 15.174 6.912 -46.107 385 H GLY 46 H GLY 46 16.593 11.299 -49.585 386 HA2 GLY 46 HA2 GLY 46 15.349 11.918 -52.039 387 HA3 GLY 46 HA3 GLY 46 17.070 12.247 -52.172 388 H ARG 47 H ARG 47 16.047 10.400 -53.829 389 HA ARG 47 HA ARG 47 16.190 8.237 -54.529 390 HB2 ARG 47 HB2 ARG 47 18.411 7.999 -52.498 391 HB3 ARG 47 HB3 ARG 47 18.213 7.076 -53.981 392 HG2 ARG 47 HG2 ARG 47 18.363 9.430 -55.112 393 HG3 ARG 47 HG3 ARG 47 19.157 9.872 -53.599 394 HD2 ARG 47 HD2 ARG 47 20.899 8.341 -53.937 395 HD3 ARG 47 HD3 ARG 47 19.998 7.456 -55.167 396 HE ARG 47 HE ARG 47 20.309 9.960 -56.211 397 HH11 ARG 47 HH11 ARG 47 22.460 7.510 -54.990 398 HH12 ARG 47 HH12 ARG 47 23.772 7.960 -56.028 399 HH21 ARG 47 HH21 ARG 47 22.029 10.562 -57.583 400 HH22 ARG 47 HH22 ARG 47 23.526 9.697 -57.502 401 H GLY 48 H GLY 48 14.220 8.624 -52.618 402 HA2 GLY 48 HA2 GLY 48 14.429 6.606 -50.566 403 HA3 GLY 48 HA3 GLY 48 13.016 7.585 -50.929 Start of MODEL 8 1 H1 MET 1 H MET 1 -0.739 0.692 -1.739 2 HA MET 1 HA MET 1 1.377 2.662 -1.366 3 HB2 MET 1 HB2 MET 1 0.396 0.353 0.309 4 HB3 MET 1 HB3 MET 1 1.833 1.280 0.720 5 HG2 MET 1 HG2 MET 1 0.644 3.136 1.303 6 HG3 MET 1 HG3 MET 1 -0.692 2.757 0.218 7 HE1 MET 1 HE1 MET 1 -3.261 1.900 2.599 8 HE2 MET 1 HE2 MET 1 -2.429 3.455 2.606 9 HE3 MET 1 HE3 MET 1 -2.707 2.610 1.082 10 H ASN 2 H ASN 2 1.767 1.270 -3.680 11 HA ASN 2 HA ASN 2 3.341 0.105 -4.836 12 HB2 ASN 2 HB2 ASN 2 4.991 0.010 -2.316 13 HB3 ASN 2 HB3 ASN 2 5.549 0.040 -3.986 14 HD21 ASN 2 HD21 ASN 2 5.054 2.023 -5.215 15 HD22 ASN 2 HD22 ASN 2 5.118 3.533 -4.379 16 H ILE 3 H ILE 3 1.284 -1.408 -3.879 17 HA ILE 3 HA ILE 3 2.615 -3.980 -3.454 18 HB ILE 3 HB ILE 3 0.478 -4.469 -1.948 19 HG12 ILE 3 HG12 ILE 3 -0.002 -2.560 -0.475 20 HG13 ILE 3 HG13 ILE 3 1.065 -1.544 -1.438 21 HG21 ILE 3 HG21 ILE 3 2.619 -4.962 -1.131 22 HG22 ILE 3 HG22 ILE 3 3.108 -3.268 -1.143 23 HG23 ILE 3 HG23 ILE 3 1.939 -3.840 0.047 24 HD11 ILE 3 HD11 ILE 3 -1.043 -2.871 -2.970 25 HD12 ILE 3 HD12 ILE 3 -1.618 -1.724 -1.759 26 HD13 ILE 3 HD13 ILE 3 -0.487 -1.198 -3.005 27 H THR 4 H THR 4 0.771 -5.764 -3.535 28 HA THR 4 HA THR 4 -1.411 -5.159 -5.311 29 HB THR 4 HB THR 4 -0.299 -7.178 -6.805 30 HG1 THR 4 HG1 THR 4 1.745 -7.028 -5.974 31 HG21 THR 4 HG21 THR 4 -1.407 -4.893 -7.392 32 HG22 THR 4 HG22 THR 4 -0.294 -5.638 -8.539 33 HG23 THR 4 HG23 THR 4 0.256 -4.321 -7.505 34 H SER 5 H SER 5 -3.008 -6.335 -4.501 35 HA SER 5 HA SER 5 -2.740 -9.177 -4.159 36 HB2 SER 5 HB2 SER 5 -1.840 -8.191 -2.004 37 HB3 SER 5 HB3 SER 5 -3.462 -7.569 -1.704 38 HG SER 5 HG SER 5 -3.813 -9.463 -0.874 39 H GLN 6 H GLN 6 -4.957 -9.733 -2.671 40 HA GLN 6 HA GLN 6 -7.080 -8.762 -4.428 41 HB2 GLN 6 HB2 GLN 6 -6.555 -11.263 -3.824 42 HB3 GLN 6 HB3 GLN 6 -7.485 -10.902 -2.376 43 HG2 GLN 6 HG2 GLN 6 -9.194 -9.960 -4.169 44 HG3 GLN 6 HG3 GLN 6 -8.365 -11.131 -5.193 45 HE21 GLN 6 HE21 GLN 6 -11.113 -10.957 -3.929 46 HE22 GLN 6 HE22 GLN 6 -11.325 -12.497 -3.176 47 H MET 7 H MET 7 -6.087 -6.987 -2.431 48 HA MET 7 HA MET 7 -8.381 -6.848 -0.588 49 HB2 MET 7 HB2 MET 7 -7.017 -5.687 0.973 50 HB3 MET 7 HB3 MET 7 -6.077 -7.068 0.423 51 HG2 MET 7 HG2 MET 7 -5.145 -5.331 -1.311 52 HG3 MET 7 HG3 MET 7 -5.677 -4.170 -0.096 53 HE1 MET 7 HE1 MET 7 -3.496 -3.316 -0.198 54 HE2 MET 7 HE2 MET 7 -3.287 -3.356 1.552 55 HE3 MET 7 HE3 MET 7 -2.024 -3.994 0.498 56 H ASN 8 H ASN 8 -8.891 -4.526 0.082 57 HA ASN 8 HA ASN 8 -9.615 -3.072 -2.244 58 HB2 ASN 8 HB2 ASN 8 -9.723 -2.348 0.690 59 HB3 ASN 8 HB3 ASN 8 -10.393 -1.341 -0.590 60 HD21 ASN 8 HD21 ASN 8 -12.350 -1.806 -1.399 61 HD22 ASN 8 HD22 ASN 8 -13.315 -3.155 -0.915 62 H LYS 9 H LYS 9 -7.279 -2.423 0.359 63 HA LYS 9 HA LYS 9 -6.324 0.027 -0.359 64 HB2 LYS 9 HB2 LYS 9 -5.184 -2.330 0.992 65 HB3 LYS 9 HB3 LYS 9 -3.995 -1.225 0.315 66 HG2 LYS 9 HG2 LYS 9 -4.532 0.460 1.754 67 HG3 LYS 9 HG3 LYS 9 -6.202 -0.080 1.939 68 HD2 LYS 9 HD2 LYS 9 -5.471 -0.795 3.951 69 HD3 LYS 9 HD3 LYS 9 -4.888 -2.178 3.021 70 HE2 LYS 9 HE2 LYS 9 -2.916 -1.682 3.985 71 HE3 LYS 9 HE3 LYS 9 -2.820 -0.460 2.718 72 HZ1 LYS 9 HZ1 LYS 9 -3.111 -0.132 5.553 73 HZ2 LYS 9 HZ2 LYS 9 -4.244 0.767 4.675 74 HZ3 LYS 9 HZ3 LYS 9 -2.590 0.977 4.386 75 H THR 10 H THR 10 -5.034 -3.073 -1.563 76 HA THR 10 HA THR 10 -3.171 -2.080 -3.348 77 HB THR 10 HB THR 10 -3.512 -4.210 -4.639 78 HG1 THR 10 HG1 THR 10 -5.582 -4.800 -4.381 79 HG21 THR 10 HG21 THR 10 -2.012 -4.941 -3.162 80 HG22 THR 10 HG22 THR 10 -3.339 -5.469 -2.127 81 HG23 THR 10 HG23 THR 10 -2.649 -3.859 -1.925 82 H ILE 11 H ILE 11 -6.626 -2.669 -3.853 83 HA ILE 11 HA ILE 11 -6.755 -2.164 -6.588 84 HB ILE 11 HB ILE 11 -8.828 -1.579 -4.472 85 HG12 ILE 11 HG12 ILE 11 -8.853 -3.897 -6.378 86 HG13 ILE 11 HG13 ILE 11 -7.896 -3.980 -4.903 87 HG21 ILE 11 HG21 ILE 11 -8.842 -1.281 -7.412 88 HG22 ILE 11 HG22 ILE 11 -10.271 -2.011 -6.683 89 HG23 ILE 11 HG23 ILE 11 -9.746 -0.405 -6.177 90 HD11 ILE 11 HD11 ILE 11 -10.580 -4.607 -5.198 91 HD12 ILE 11 HD12 ILE 11 -9.688 -4.432 -3.686 92 HD13 ILE 11 HD13 ILE 11 -10.570 -3.059 -4.355 93 H ILE 12 H ILE 12 -6.735 0.058 -3.858 94 HA ILE 12 HA ILE 12 -7.352 2.389 -5.373 95 HB ILE 12 HB ILE 12 -5.804 2.455 -2.803 96 HG12 ILE 12 HG12 ILE 12 -8.714 1.764 -3.197 97 HG13 ILE 12 HG13 ILE 12 -7.500 0.873 -2.286 98 HG21 ILE 12 HG21 ILE 12 -6.316 4.538 -4.080 99 HG22 ILE 12 HG22 ILE 12 -8.028 4.215 -3.816 100 HG23 ILE 12 HG23 ILE 12 -6.965 4.512 -2.441 101 HD11 ILE 12 HD11 ILE 12 -7.404 3.002 -0.818 102 HD12 ILE 12 HD12 ILE 12 -8.971 3.358 -1.547 103 HD13 ILE 12 HD13 ILE 12 -8.743 1.870 -0.628 104 H GLY 13 H GLY 13 -4.292 1.286 -3.891 105 HA2 GLY 13 HA2 GLY 13 -2.647 3.238 -5.020 106 HA3 GLY 13 HA3 GLY 13 -2.109 1.649 -4.495 107 H VAL 14 H VAL 14 -3.209 -0.085 -6.187 108 HA VAL 14 HA VAL 14 -1.631 0.046 -8.467 109 HB VAL 14 HB VAL 14 -4.201 -1.495 -8.078 110 HG11 VAL 14 HG11 VAL 14 -2.759 -2.984 -9.794 111 HG12 VAL 14 HG12 VAL 14 -3.970 -1.805 -10.304 112 HG13 VAL 14 HG13 VAL 14 -2.261 -1.368 -10.296 113 HG21 VAL 14 HG21 VAL 14 -2.191 -1.816 -6.485 114 HG22 VAL 14 HG22 VAL 14 -2.940 -3.241 -7.205 115 HG23 VAL 14 HG23 VAL 14 -1.430 -2.611 -7.863 116 H SER 15 H SER 15 -5.104 0.754 -8.139 117 HA SER 15 HA SER 15 -5.635 1.393 -10.791 118 HB2 SER 15 HB2 SER 15 -7.453 1.133 -9.240 119 HB3 SER 15 HB3 SER 15 -6.863 2.463 -8.243 120 HG SER 15 HG SER 15 -7.483 2.928 -10.940 121 H VAL 16 H VAL 16 -4.361 3.409 -8.188 122 HA VAL 16 HA VAL 16 -4.403 5.842 -9.660 123 HB VAL 16 HB VAL 16 -2.733 5.083 -7.258 124 HG11 VAL 16 HG11 VAL 16 -1.667 6.950 -8.154 125 HG12 VAL 16 HG12 VAL 16 -3.183 7.685 -8.677 126 HG13 VAL 16 HG13 VAL 16 -2.770 7.638 -6.963 127 HG21 VAL 16 HG21 VAL 16 -5.469 5.336 -7.423 128 HG22 VAL 16 HG22 VAL 16 -4.504 5.488 -5.955 129 HG23 VAL 16 HG23 VAL 16 -4.952 6.928 -6.869 130 H LEU 17 H LEU 17 -1.741 3.635 -8.785 131 HA LEU 17 HA LEU 17 0.330 4.902 -10.087 132 HB2 LEU 17 HB2 LEU 17 -0.257 2.097 -9.337 133 HB3 LEU 17 HB3 LEU 17 1.052 2.362 -10.486 134 HG LEU 17 HG LEU 17 2.329 3.562 -8.912 135 HD11 LEU 17 HD11 LEU 17 -0.268 3.874 -7.503 136 HD12 LEU 17 HD12 LEU 17 0.999 5.058 -7.818 137 HD13 LEU 17 HD13 LEU 17 1.212 3.859 -6.543 138 HD21 LEU 17 HD21 LEU 17 2.684 1.356 -8.374 139 HD22 LEU 17 HD22 LEU 17 1.018 1.101 -7.852 140 HD23 LEU 17 HD23 LEU 17 2.138 1.997 -6.824 141 H SER 18 H SER 18 -2.059 2.664 -11.420 142 HA SER 18 HA SER 18 -0.917 2.436 -13.989 143 HB2 SER 18 HB2 SER 18 -2.730 0.967 -12.955 144 HB3 SER 18 HB3 SER 18 -3.870 2.241 -13.388 145 HG SER 18 HG SER 18 -3.900 0.985 -15.137 146 H VAL 19 H VAL 19 -3.596 4.471 -12.814 147 HA VAL 19 HA VAL 19 -4.208 5.824 -15.129 148 HB VAL 19 HB VAL 19 -4.161 6.934 -12.320 149 HG11 VAL 19 HG11 VAL 19 -5.801 8.573 -13.165 150 HG12 VAL 19 HG12 VAL 19 -4.215 8.749 -13.919 151 HG13 VAL 19 HG13 VAL 19 -5.530 7.970 -14.800 152 HG21 VAL 19 HG21 VAL 19 -6.093 5.875 -11.941 153 HG22 VAL 19 HG22 VAL 19 -6.730 6.280 -13.535 154 HG23 VAL 19 HG23 VAL 19 -5.676 4.880 -13.336 155 H LEU 20 H LEU 20 -1.587 6.465 -12.852 156 HA LEU 20 HA LEU 20 -0.732 8.900 -14.003 157 HB2 LEU 20 HB2 LEU 20 0.055 8.547 -11.858 158 HB3 LEU 20 HB3 LEU 20 0.498 6.873 -12.188 159 HG LEU 20 HG LEU 20 2.441 7.613 -13.449 160 HD11 LEU 20 HD11 LEU 20 1.469 9.705 -14.315 161 HD12 LEU 20 HD12 LEU 20 3.061 9.941 -13.597 162 HD13 LEU 20 HD13 LEU 20 1.614 10.415 -12.708 163 HD21 LEU 20 HD21 LEU 20 2.014 8.478 -10.643 164 HD22 LEU 20 HD22 LEU 20 3.484 9.018 -11.455 165 HD23 LEU 20 HD23 LEU 20 3.140 7.294 -11.306 166 H VAL 21 H VAL 21 0.741 5.655 -14.224 167 HA VAL 21 HA VAL 21 2.658 6.204 -16.130 168 HB VAL 21 HB VAL 21 1.096 3.624 -16.002 169 HG11 VAL 21 HG11 VAL 21 3.934 4.216 -16.835 170 HG12 VAL 21 HG12 VAL 21 3.186 2.619 -16.777 171 HG13 VAL 21 HG13 VAL 21 2.597 3.830 -17.917 172 HG21 VAL 21 HG21 VAL 21 3.476 3.388 -14.535 173 HG22 VAL 21 HG22 VAL 21 2.712 4.882 -13.991 174 HG23 VAL 21 HG23 VAL 21 1.824 3.361 -13.918 175 H VAL 22 H VAL 22 -0.649 5.004 -16.703 176 HA VAL 22 HA VAL 22 -0.611 4.860 -19.455 177 HB VAL 22 HB VAL 22 -2.868 5.631 -17.610 178 HG11 VAL 22 HG11 VAL 22 -3.418 6.559 -19.748 179 HG12 VAL 22 HG12 VAL 22 -2.938 5.074 -20.572 180 HG13 VAL 22 HG13 VAL 22 -4.362 5.086 -19.531 181 HG21 VAL 22 HG21 VAL 22 -3.536 3.233 -18.551 182 HG22 VAL 22 HG22 VAL 22 -1.785 3.101 -18.716 183 HG23 VAL 22 HG23 VAL 22 -2.499 3.435 -17.138 184 H SER 23 H SER 23 -1.588 7.665 -17.483 185 HA SER 23 HA SER 23 -2.118 9.432 -19.560 186 HB2 SER 23 HB2 SER 23 -2.725 9.957 -17.268 187 HB3 SER 23 HB3 SER 23 -1.027 10.009 -16.795 188 HG SER 23 HG SER 23 -0.820 11.929 -17.691 189 H VAL 24 H VAL 24 0.880 9.323 -17.624 190 HA VAL 24 HA VAL 24 2.391 11.090 -19.096 191 HB VAL 24 HB VAL 24 3.455 8.572 -17.812 192 HG11 VAL 24 HG11 VAL 24 4.692 11.091 -18.814 193 HG12 VAL 24 HG12 VAL 24 5.394 10.295 -17.403 194 HG13 VAL 24 HG13 VAL 24 5.265 9.427 -18.934 195 HG21 VAL 24 HG21 VAL 24 3.788 10.852 -16.159 196 HG22 VAL 24 HG22 VAL 24 2.091 10.772 -16.634 197 HG23 VAL 24 HG23 VAL 24 2.850 9.393 -15.839 198 H VAL 25 H VAL 25 1.897 7.634 -19.664 199 HA VAL 25 HA VAL 25 3.745 7.215 -21.690 200 HB VAL 25 HB VAL 25 1.137 5.946 -20.994 201 HG11 VAL 25 HG11 VAL 25 0.848 5.807 -23.295 202 HG12 VAL 25 HG12 VAL 25 2.578 5.640 -23.601 203 HG13 VAL 25 HG13 VAL 25 1.671 4.296 -22.906 204 HG21 VAL 25 HG21 VAL 25 2.973 3.976 -21.262 205 HG22 VAL 25 HG22 VAL 25 4.011 5.337 -20.838 206 HG23 VAL 25 HG23 VAL 25 2.690 4.868 -19.767 207 H ALA 26 H ALA 26 0.269 7.894 -22.152 208 HA ALA 26 HA ALA 26 0.459 8.339 -24.923 209 HB1 ALA 26 HB1 ALA 26 -1.634 9.529 -23.119 210 HB2 ALA 26 HB2 ALA 26 -1.782 9.096 -24.823 211 HB3 ALA 26 HB3 ALA 26 -1.629 7.833 -23.602 212 H VAL 27 H VAL 27 0.780 10.485 -22.160 213 HA VAL 27 HA VAL 27 0.571 12.965 -23.348 214 HB VAL 27 HB VAL 27 2.345 12.019 -21.107 215 HG11 VAL 27 HG11 VAL 27 2.043 14.807 -22.206 216 HG12 VAL 27 HG12 VAL 27 2.675 14.453 -20.596 217 HG13 VAL 27 HG13 VAL 27 3.527 13.871 -22.027 218 HG21 VAL 27 HG21 VAL 27 -0.331 12.426 -21.177 219 HG22 VAL 27 HG22 VAL 27 0.659 12.591 -19.727 220 HG23 VAL 27 HG23 VAL 27 0.234 14.018 -20.672 221 H LEU 28 H LEU 28 3.625 11.185 -22.834 222 HA LEU 28 HA LEU 28 5.175 12.917 -24.437 223 HB2 LEU 28 HB2 LEU 28 5.665 10.055 -23.628 224 HB3 LEU 28 HB3 LEU 28 6.866 11.116 -24.362 225 HG LEU 28 HG LEU 28 5.716 12.287 -21.972 226 HD11 LEU 28 HD11 LEU 28 7.394 9.900 -21.378 227 HD12 LEU 28 HD12 LEU 28 5.659 9.690 -21.613 228 HD13 LEU 28 HD13 LEU 28 6.253 10.765 -20.348 229 HD21 LEU 28 HD21 LEU 28 7.798 12.968 -23.161 230 HD22 LEU 28 HD22 LEU 28 8.546 11.467 -22.612 231 HD23 LEU 28 HD23 LEU 28 8.017 12.672 -21.436 232 H VAL 29 H VAL 29 3.330 10.024 -25.139 233 HA VAL 29 HA VAL 29 4.367 9.342 -27.627 234 HB VAL 29 HB VAL 29 1.587 9.081 -26.501 235 HG11 VAL 29 HG11 VAL 29 2.520 8.651 -29.258 236 HG12 VAL 29 HG12 VAL 29 1.598 7.322 -28.554 237 HG13 VAL 29 HG13 VAL 29 0.894 8.937 -28.640 238 HG21 VAL 29 HG21 VAL 29 2.181 6.963 -25.901 239 HG22 VAL 29 HG22 VAL 29 3.328 6.787 -27.229 240 HG23 VAL 29 HG23 VAL 29 3.765 7.735 -25.807 241 H TYR 30 H TYR 30 1.673 11.546 -26.876 242 HA TYR 30 HA TYR 30 1.464 12.376 -29.636 243 HB2 TYR 30 HB2 TYR 30 -0.480 12.159 -27.987 244 HB3 TYR 30 HB3 TYR 30 0.095 13.664 -27.279 245 HD1 TYR 30 HD1 TYR 30 -0.348 15.754 -28.314 246 HD2 TYR 30 HD2 TYR 30 -1.273 12.138 -30.356 247 HE1 TYR 30 HE1 TYR 30 -1.612 17.032 -29.993 248 HE2 TYR 30 HE2 TYR 30 -2.538 13.405 -32.041 249 HH TYR 30 HH TYR 30 -3.617 16.425 -31.642 250 H LYS 31 H LYS 31 2.471 13.829 -26.560 251 HA LYS 31 HA LYS 31 3.043 16.395 -27.471 252 HB2 LYS 31 HB2 LYS 31 3.001 15.852 -25.104 253 HB3 LYS 31 HB3 LYS 31 4.390 14.790 -25.292 254 HG2 LYS 31 HG2 LYS 31 5.456 17.054 -26.231 255 HG3 LYS 31 HG3 LYS 31 4.258 17.734 -25.127 256 HD2 LYS 31 HD2 LYS 31 6.348 17.445 -23.956 257 HD3 LYS 31 HD3 LYS 31 5.165 16.296 -23.326 258 HE2 LYS 31 HE2 LYS 31 6.320 14.509 -24.067 259 HE3 LYS 31 HE3 LYS 31 6.791 15.308 -25.566 260 HZ1 LYS 31 HZ1 LYS 31 8.119 15.348 -22.946 261 HZ2 LYS 31 HZ2 LYS 31 8.309 16.671 -23.982 262 HZ3 LYS 31 HZ3 LYS 31 8.788 15.128 -24.484 263 H PHE 32 H PHE 32 5.369 13.728 -26.996 264 HA PHE 32 HA PHE 32 7.503 15.051 -28.290 265 HB2 PHE 32 HB2 PHE 32 7.454 12.949 -26.695 266 HB3 PHE 32 HB3 PHE 32 7.362 12.065 -28.215 267 HD1 PHE 32 HD1 PHE 32 9.465 13.980 -25.981 268 HD2 PHE 32 HD2 PHE 32 9.200 12.237 -29.855 269 HE1 PHE 32 HE1 PHE 32 11.906 14.161 -26.226 270 HE2 PHE 32 HE2 PHE 32 11.641 12.414 -30.106 271 HZ PHE 32 HZ PHE 32 12.998 13.377 -28.289 272 H TYR 33 H TYR 33 4.794 13.296 -29.472 273 HA TYR 33 HA TYR 33 5.573 12.183 -31.825 274 HB2 TYR 33 HB2 TYR 33 3.176 12.663 -30.729 275 HB3 TYR 33 HB3 TYR 33 3.149 13.896 -31.985 276 HD1 TYR 33 HD1 TYR 33 3.925 12.988 -34.378 277 HD2 TYR 33 HD2 TYR 33 2.313 10.592 -31.254 278 HE1 TYR 33 HE1 TYR 33 3.254 11.295 -36.031 279 HE2 TYR 33 HE2 TYR 33 1.639 8.891 -32.898 280 HH TYR 33 HH TYR 33 1.229 9.330 -35.933 281 H PHE 34 H PHE 34 4.693 15.609 -31.395 282 HA PHE 34 HA PHE 34 5.127 16.500 -33.969 283 HB2 PHE 34 HB2 PHE 34 4.465 17.695 -31.611 284 HB3 PHE 34 HB3 PHE 34 6.087 18.331 -31.866 285 HD1 PHE 34 HD1 PHE 34 3.116 17.640 -34.023 286 HD2 PHE 34 HD2 PHE 34 6.110 20.411 -32.811 287 HE1 PHE 34 HE1 PHE 34 2.211 19.301 -35.596 288 HE2 PHE 34 HE2 PHE 34 5.209 22.077 -34.381 289 HZ PHE 34 HZ PHE 34 3.257 21.523 -35.776 290 H HIS 35 H HIS 35 7.482 16.191 -31.334 291 HA HIS 35 HA HIS 35 9.702 17.302 -32.539 292 HB2 HIS 35 HB2 HIS 35 9.379 16.274 -30.162 293 HB3 HIS 35 HB3 HIS 35 9.968 14.794 -30.913 294 HD1 HIS 35 HD1 HIS 35 11.145 18.422 -30.985 295 HD2 HIS 35 HD2 HIS 35 12.608 14.572 -30.439 296 HE1 HIS 35 HE1 HIS 35 13.617 18.690 -30.606 297 H LEU 36 H LEU 36 8.423 14.021 -32.868 298 HA LEU 36 HA LEU 36 10.470 12.845 -34.311 299 HB2 LEU 36 HB2 LEU 36 7.517 12.421 -34.737 300 HB3 LEU 36 HB3 LEU 36 8.809 11.305 -35.174 301 HG LEU 36 HG LEU 36 8.238 12.107 -32.329 302 HD11 LEU 36 HD11 LEU 36 6.851 10.248 -32.050 303 HD12 LEU 36 HD12 LEU 36 7.318 9.552 -33.602 304 HD13 LEU 36 HD13 LEU 36 6.293 10.986 -33.552 305 HD21 LEU 36 HD21 LEU 36 9.943 10.784 -31.790 306 HD22 LEU 36 HD22 LEU 36 10.370 10.777 -33.501 307 HD23 LEU 36 HD23 LEU 36 9.363 9.489 -32.838 308 H MET 37 H MET 37 7.533 14.327 -35.703 309 HA MET 37 HA MET 37 8.255 14.215 -38.363 310 HB2 MET 37 HB2 MET 37 6.449 15.946 -36.762 311 HB3 MET 37 HB3 MET 37 6.860 16.504 -38.378 312 HG2 MET 37 HG2 MET 37 5.794 14.748 -39.407 313 HG3 MET 37 HG3 MET 37 5.922 13.704 -37.993 314 HE1 MET 37 HE1 MET 37 5.081 14.484 -35.810 315 HE2 MET 37 HE2 MET 37 4.074 15.914 -35.584 316 HE3 MET 37 HE3 MET 37 3.326 14.324 -35.740 317 H LEU 38 H LEU 38 8.996 16.742 -35.990 318 HA LEU 38 HA LEU 38 10.241 18.554 -37.711 319 HB2 LEU 38 HB2 LEU 38 10.339 18.001 -34.797 320 HB3 LEU 38 HB3 LEU 38 11.600 19.026 -35.478 321 HG LEU 38 HG LEU 38 9.763 20.490 -36.391 322 HD11 LEU 38 HD11 LEU 38 8.011 19.036 -34.429 323 HD12 LEU 38 HD12 LEU 38 8.017 18.675 -36.155 324 HD13 LEU 38 HD13 LEU 38 7.556 20.281 -35.592 325 HD21 LEU 38 HD21 LEU 38 11.093 20.897 -34.283 326 HD22 LEU 38 HD22 LEU 38 9.720 20.241 -33.392 327 HD23 LEU 38 HD23 LEU 38 9.523 21.696 -34.370 328 H LEU 39 H LEU 39 11.476 15.683 -36.105 329 HA LEU 39 HA LEU 39 14.204 16.169 -36.882 330 HB2 LEU 39 HB2 LEU 39 12.722 14.038 -35.447 331 HB3 LEU 39 HB3 LEU 39 14.248 13.592 -36.209 332 HG LEU 39 HG LEU 39 15.333 15.435 -34.894 333 HD11 LEU 39 HD11 LEU 39 13.134 16.618 -34.479 334 HD12 LEU 39 HD12 LEU 39 14.214 16.463 -33.094 335 HD13 LEU 39 HD13 LEU 39 12.819 15.395 -33.248 336 HD21 LEU 39 HD21 LEU 39 15.899 13.541 -33.838 337 HD22 LEU 39 HD22 LEU 39 14.256 12.902 -33.893 338 HD23 LEU 39 HD23 LEU 39 14.716 14.048 -32.633 339 H ALA 40 H ALA 40 11.497 14.266 -38.068 340 HA ALA 40 HA ALA 40 12.945 12.761 -39.982 341 HB1 ALA 40 HB1 ALA 40 10.093 13.428 -40.471 342 HB2 ALA 40 HB2 ALA 40 10.935 11.883 -40.602 343 HB3 ALA 40 HB3 ALA 40 10.494 12.516 -39.016 344 H GLY 41 H GLY 41 10.939 15.694 -40.300 345 HA2 GLY 41 HA2 GLY 41 11.883 16.056 -43.036 346 HA3 GLY 41 HA3 GLY 41 10.643 17.003 -42.228 347 H CYS 42 H CYS 42 13.726 16.380 -40.726 348 HA CYS 42 HA CYS 42 14.228 19.133 -40.309 349 HB2 CYS 42 HB2 CYS 42 15.049 17.197 -38.888 350 HB3 CYS 42 HB3 CYS 42 16.267 16.915 -40.125 351 HG CYS 42 HG CYS 42 17.835 18.254 -38.504 352 H ILE 43 H ILE 43 15.183 16.874 -42.785 353 HA ILE 43 HA ILE 43 17.129 18.722 -43.912 354 HB ILE 43 HB ILE 43 16.227 16.024 -44.927 355 HG12 ILE 43 HG12 ILE 43 18.801 15.706 -44.113 356 HG13 ILE 43 HG13 ILE 43 18.230 16.879 -42.932 357 HG21 ILE 43 HG21 ILE 43 18.028 18.084 -45.986 358 HG22 ILE 43 HG22 ILE 43 18.694 16.452 -45.970 359 HG23 ILE 43 HG23 ILE 43 17.181 16.778 -46.815 360 HD11 ILE 43 HD11 ILE 43 17.325 15.227 -41.784 361 HD12 ILE 43 HD12 ILE 43 16.245 14.896 -43.139 362 HD13 ILE 43 HD13 ILE 43 17.798 14.069 -43.027 363 H LYS 44 H LYS 44 16.707 20.116 -45.494 364 HA LYS 44 HA LYS 44 14.044 20.373 -46.523 365 HB2 LYS 44 HB2 LYS 44 16.610 21.854 -47.101 366 HB3 LYS 44 HB3 LYS 44 15.078 22.252 -47.866 367 HG2 LYS 44 HG2 LYS 44 15.236 22.136 -44.892 368 HG3 LYS 44 HG3 LYS 44 15.876 23.541 -45.747 369 HD2 LYS 44 HD2 LYS 44 13.726 24.242 -45.443 370 HD3 LYS 44 HD3 LYS 44 13.532 23.392 -46.978 371 HE2 LYS 44 HE2 LYS 44 12.442 21.615 -46.010 372 HE3 LYS 44 HE3 LYS 44 13.195 21.872 -44.437 373 HZ1 LYS 44 HZ1 LYS 44 11.759 23.659 -43.981 374 HZ2 LYS 44 HZ2 LYS 44 10.767 22.441 -44.609 375 HZ3 LYS 44 HZ3 LYS 44 11.213 23.753 -45.580 376 H TYR 45 H TYR 45 13.662 20.658 -48.904 377 HA TYR 45 HA TYR 45 15.147 18.605 -50.410 378 HB2 TYR 45 HB2 TYR 45 12.249 19.407 -50.741 379 HB3 TYR 45 HB3 TYR 45 13.087 18.149 -51.643 380 HD1 TYR 45 HD1 TYR 45 11.840 19.095 -48.292 381 HD2 TYR 45 HD2 TYR 45 13.341 15.965 -50.753 382 HE1 TYR 45 HE1 TYR 45 11.200 17.449 -46.580 383 HE2 TYR 45 HE2 TYR 45 12.704 14.311 -49.048 384 HH TYR 45 HH TYR 45 11.957 15.094 -45.916 385 H GLY 46 H GLY 46 15.905 19.095 -52.409 386 HA2 GLY 46 HA2 GLY 46 15.112 20.821 -54.302 387 HA3 GLY 46 HA3 GLY 46 15.891 21.901 -53.155 388 H ARG 47 H ARG 47 16.340 19.797 -55.766 389 HA ARG 47 HA ARG 47 19.255 19.784 -55.344 390 HB2 ARG 47 HB2 ARG 47 18.015 17.565 -55.581 391 HB3 ARG 47 HB3 ARG 47 17.749 18.012 -57.261 392 HG2 ARG 47 HG2 ARG 47 19.639 16.599 -57.221 393 HG3 ARG 47 HG3 ARG 47 20.240 18.237 -57.488 394 HD2 ARG 47 HD2 ARG 47 20.805 18.423 -55.121 395 HD3 ARG 47 HD3 ARG 47 20.175 16.801 -54.836 396 HE ARG 47 HE ARG 47 22.078 16.487 -56.779 397 HH11 ARG 47 HH11 ARG 47 22.010 17.794 -53.552 398 HH12 ARG 47 HH12 ARG 47 23.659 17.384 -53.212 399 HH21 ARG 47 HH21 ARG 47 24.249 15.943 -56.342 400 HH22 ARG 47 HH22 ARG 47 24.932 16.332 -54.799 401 H GLY 48 H GLY 48 20.568 20.743 -56.802 402 HA2 GLY 48 HA2 GLY 48 20.570 21.160 -59.388 403 HA3 GLY 48 HA3 GLY 48 19.258 22.246 -58.952 Start of MODEL 9 1 H1 MET 1 H MET 1 3.113 1.330 -0.453 2 HA MET 1 HA MET 1 0.563 1.076 -1.893 3 HB2 MET 1 HB2 MET 1 2.907 2.935 -2.287 4 HB3 MET 1 HB3 MET 1 1.585 2.796 -3.439 5 HG2 MET 1 HG2 MET 1 0.008 3.579 -1.818 6 HG3 MET 1 HG3 MET 1 1.231 3.548 -0.550 7 HE1 MET 1 HE1 MET 1 0.124 6.620 -3.518 8 HE2 MET 1 HE2 MET 1 1.306 5.617 -4.359 9 HE3 MET 1 HE3 MET 1 -0.127 4.879 -3.642 10 H ASN 2 H ASN 2 0.794 0.749 -4.296 11 HA ASN 2 HA ASN 2 1.387 -0.590 -6.036 12 HB2 ASN 2 HB2 ASN 2 3.487 0.824 -5.788 13 HB3 ASN 2 HB3 ASN 2 4.189 -0.535 -4.914 14 HD21 ASN 2 HD21 ASN 2 5.710 -0.177 -6.801 15 HD22 ASN 2 HD22 ASN 2 5.399 -1.111 -8.221 16 H ILE 3 H ILE 3 0.099 -2.187 -4.717 17 HA ILE 3 HA ILE 3 1.763 -4.560 -4.243 18 HB ILE 3 HB ILE 3 0.116 -5.175 -2.394 19 HG12 ILE 3 HG12 ILE 3 -1.334 -3.093 -3.159 20 HG13 ILE 3 HG13 ILE 3 -1.293 -3.605 -1.475 21 HG21 ILE 3 HG21 ILE 3 1.333 -3.642 -0.739 22 HG22 ILE 3 HG22 ILE 3 2.309 -4.718 -1.737 23 HG23 ILE 3 HG23 ILE 3 2.176 -3.010 -2.153 24 HD11 ILE 3 HD11 ILE 3 -0.038 -1.807 -0.820 25 HD12 ILE 3 HD12 ILE 3 0.666 -1.575 -2.421 26 HD13 ILE 3 HD13 ILE 3 -1.003 -1.097 -2.114 27 H THR 4 H THR 4 0.059 -6.489 -3.822 28 HA THR 4 HA THR 4 -2.232 -6.301 -5.598 29 HB THR 4 HB THR 4 -0.633 -6.881 -7.250 30 HG1 THR 4 HG1 THR 4 -2.548 -8.215 -7.201 31 HG21 THR 4 HG21 THR 4 0.636 -8.297 -5.056 32 HG22 THR 4 HG22 THR 4 1.331 -7.699 -6.562 33 HG23 THR 4 HG23 THR 4 0.551 -9.280 -6.517 34 H SER 5 H SER 5 -3.692 -6.956 -4.122 35 HA SER 5 HA SER 5 -3.692 -9.715 -3.324 36 HB2 SER 5 HB2 SER 5 -2.241 -8.566 -1.591 37 HB3 SER 5 HB3 SER 5 -3.676 -7.665 -1.103 38 HG SER 5 HG SER 5 -3.983 -9.343 0.134 39 H GLN 6 H GLN 6 -5.589 -9.688 -1.360 40 HA GLN 6 HA GLN 6 -7.909 -8.695 -2.831 41 HB2 GLN 6 HB2 GLN 6 -7.555 -10.731 -0.643 42 HB3 GLN 6 HB3 GLN 6 -9.145 -10.123 -1.085 43 HG2 GLN 6 HG2 GLN 6 -8.886 -12.123 -2.271 44 HG3 GLN 6 HG3 GLN 6 -8.613 -10.842 -3.450 45 HE21 GLN 6 HE21 GLN 6 -6.801 -10.884 -4.597 46 HE22 GLN 6 HE22 GLN 6 -5.442 -11.904 -4.289 47 H MET 7 H MET 7 -6.297 -6.801 -1.423 48 HA MET 7 HA MET 7 -8.144 -5.986 0.724 49 HB2 MET 7 HB2 MET 7 -6.328 -4.807 1.770 50 HB3 MET 7 HB3 MET 7 -5.806 -6.456 1.451 51 HG2 MET 7 HG2 MET 7 -4.828 -5.449 -0.729 52 HG3 MET 7 HG3 MET 7 -4.965 -3.917 0.131 53 HE1 MET 7 HE1 MET 7 -2.782 -3.326 -0.069 54 HE2 MET 7 HE2 MET 7 -2.615 -3.128 1.675 55 HE3 MET 7 HE3 MET 7 -1.375 -3.989 0.763 56 H ASN 8 H ASN 8 -9.037 -3.975 0.670 57 HA ASN 8 HA ASN 8 -9.475 -2.680 -1.715 58 HB2 ASN 8 HB2 ASN 8 -9.757 -1.912 1.145 59 HB3 ASN 8 HB3 ASN 8 -9.849 -0.620 -0.047 60 HD21 ASN 8 HD21 ASN 8 -11.414 -0.888 -1.789 61 HD22 ASN 8 HD22 ASN 8 -12.895 -1.715 -1.456 62 H LYS 9 H LYS 9 -6.836 -2.267 0.542 63 HA LYS 9 HA LYS 9 -5.788 0.165 -0.235 64 HB2 LYS 9 HB2 LYS 9 -4.832 -2.199 1.134 65 HB3 LYS 9 HB3 LYS 9 -3.563 -1.500 0.136 66 HG2 LYS 9 HG2 LYS 9 -4.431 0.732 1.296 67 HG3 LYS 9 HG3 LYS 9 -4.896 -0.423 2.547 68 HD2 LYS 9 HD2 LYS 9 -2.556 -1.304 2.489 69 HD3 LYS 9 HD3 LYS 9 -2.143 0.022 1.400 70 HE2 LYS 9 HE2 LYS 9 -3.107 1.551 3.222 71 HE3 LYS 9 HE3 LYS 9 -2.993 0.143 4.276 72 HZ1 LYS 9 HZ1 LYS 9 -0.919 0.823 4.640 73 HZ2 LYS 9 HZ2 LYS 9 -0.920 1.880 3.319 74 HZ3 LYS 9 HZ3 LYS 9 -0.555 0.244 3.092 75 H THR 10 H THR 10 -4.947 -3.029 -1.580 76 HA THR 10 HA THR 10 -3.186 -2.243 -3.542 77 HB THR 10 HB THR 10 -3.802 -4.269 -4.781 78 HG1 THR 10 HG1 THR 10 -5.725 -5.127 -4.557 79 HG21 THR 10 HG21 THR 10 -3.216 -4.220 -1.915 80 HG22 THR 10 HG22 THR 10 -2.430 -5.113 -3.216 81 HG23 THR 10 HG23 THR 10 -3.899 -5.746 -2.473 82 H ILE 11 H ILE 11 -6.725 -2.372 -3.723 83 HA ILE 11 HA ILE 11 -7.060 -1.752 -6.407 84 HB ILE 11 HB ILE 11 -8.764 -1.103 -4.012 85 HG12 ILE 11 HG12 ILE 11 -10.220 -2.789 -5.488 86 HG13 ILE 11 HG13 ILE 11 -8.624 -3.259 -6.062 87 HG21 ILE 11 HG21 ILE 11 -9.525 0.567 -5.382 88 HG22 ILE 11 HG22 ILE 11 -9.110 -0.304 -6.857 89 HG23 ILE 11 HG23 ILE 11 -10.534 -0.772 -5.929 90 HD11 ILE 11 HD11 ILE 11 -8.475 -4.585 -4.302 91 HD12 ILE 11 HD12 ILE 11 -8.405 -3.145 -3.286 92 HD13 ILE 11 HD13 ILE 11 -9.955 -3.922 -3.610 93 H ILE 12 H ILE 12 -6.424 0.364 -3.669 94 HA ILE 12 HA ILE 12 -6.841 2.800 -5.093 95 HB ILE 12 HB ILE 12 -5.074 2.588 -2.679 96 HG12 ILE 12 HG12 ILE 12 -8.077 2.320 -2.797 97 HG13 ILE 12 HG13 ILE 12 -6.922 1.236 -2.029 98 HG21 ILE 12 HG21 ILE 12 -7.117 4.657 -3.464 99 HG22 ILE 12 HG22 ILE 12 -5.911 4.773 -2.183 100 HG23 ILE 12 HG23 ILE 12 -5.404 4.752 -3.872 101 HD11 ILE 12 HD11 ILE 12 -6.377 3.262 -0.529 102 HD12 ILE 12 HD12 ILE 12 -7.922 3.891 -1.104 103 HD13 ILE 12 HD13 ILE 12 -7.861 2.353 -0.243 104 H GLY 13 H GLY 13 -3.850 1.256 -3.888 105 HA2 GLY 13 HA2 GLY 13 -2.042 2.964 -5.139 106 HA3 GLY 13 HA3 GLY 13 -1.703 1.297 -4.697 107 H VAL 14 H VAL 14 -3.259 -0.169 -6.324 108 HA VAL 14 HA VAL 14 -1.867 -0.198 -8.740 109 HB VAL 14 HB VAL 14 -4.586 -1.375 -8.146 110 HG11 VAL 14 HG11 VAL 14 -4.375 -1.356 -10.490 111 HG12 VAL 14 HG12 VAL 14 -2.665 -1.787 -10.421 112 HG13 VAL 14 HG13 VAL 14 -3.894 -2.978 -9.993 113 HG21 VAL 14 HG21 VAL 14 -1.955 -2.822 -8.153 114 HG22 VAL 14 HG22 VAL 14 -2.581 -2.038 -6.702 115 HG23 VAL 14 HG23 VAL 14 -3.496 -3.337 -7.467 116 H SER 15 H SER 15 -5.148 0.993 -8.046 117 HA SER 15 HA SER 15 -5.828 1.787 -10.627 118 HB2 SER 15 HB2 SER 15 -7.546 1.735 -8.977 119 HB3 SER 15 HB3 SER 15 -6.669 2.848 -7.927 120 HG SER 15 HG SER 15 -8.459 3.731 -9.249 121 H VAL 16 H VAL 16 -4.041 3.497 -8.111 122 HA VAL 16 HA VAL 16 -3.888 5.978 -9.491 123 HB VAL 16 HB VAL 16 -2.105 4.884 -7.311 124 HG11 VAL 16 HG11 VAL 16 -2.310 7.573 -8.611 125 HG12 VAL 16 HG12 VAL 16 -1.771 7.420 -6.938 126 HG13 VAL 16 HG13 VAL 16 -0.873 6.624 -8.231 127 HG21 VAL 16 HG21 VAL 16 -3.964 6.997 -6.600 128 HG22 VAL 16 HG22 VAL 16 -4.787 5.551 -7.186 129 HG23 VAL 16 HG23 VAL 16 -3.673 5.440 -5.823 130 H LEU 17 H LEU 17 -1.481 3.397 -8.975 131 HA LEU 17 HA LEU 17 0.599 4.427 -10.456 132 HB2 LEU 17 HB2 LEU 17 -0.293 1.697 -9.732 133 HB3 LEU 17 HB3 LEU 17 0.913 1.833 -11.010 134 HG LEU 17 HG LEU 17 2.510 2.754 -9.555 135 HD11 LEU 17 HD11 LEU 17 0.152 3.404 -7.861 136 HD12 LEU 17 HD12 LEU 17 1.531 4.406 -8.314 137 HD13 LEU 17 HD13 LEU 17 1.716 3.158 -7.082 138 HD21 LEU 17 HD21 LEU 17 2.227 1.174 -7.455 139 HD22 LEU 17 HD22 LEU 17 2.623 0.533 -9.050 140 HD23 LEU 17 HD23 LEU 17 0.961 0.467 -8.459 141 H SER 18 H SER 18 -2.193 2.578 -11.593 142 HA SER 18 HA SER 18 -1.368 2.319 -14.274 143 HB2 SER 18 HB2 SER 18 -3.116 0.890 -13.720 144 HB3 SER 18 HB3 SER 18 -4.005 2.145 -12.858 145 HG SER 18 HG SER 18 -4.904 1.568 -14.932 146 H VAL 19 H VAL 19 -3.600 4.648 -12.760 147 HA VAL 19 HA VAL 19 -4.246 6.173 -14.955 148 HB VAL 19 HB VAL 19 -3.763 7.138 -12.134 149 HG11 VAL 19 HG11 VAL 19 -3.717 9.012 -13.664 150 HG12 VAL 19 HG12 VAL 19 -5.216 8.466 -14.420 151 HG13 VAL 19 HG13 VAL 19 -5.223 9.026 -12.747 152 HG21 VAL 19 HG21 VAL 19 -5.736 6.260 -11.590 153 HG22 VAL 19 HG22 VAL 19 -6.512 6.948 -13.016 154 HG23 VAL 19 HG23 VAL 19 -5.686 5.393 -13.125 155 H LEU 20 H LEU 20 -1.342 6.336 -12.959 156 HA LEU 20 HA LEU 20 -0.276 8.684 -14.127 157 HB2 LEU 20 HB2 LEU 20 0.658 8.154 -12.081 158 HB3 LEU 20 HB3 LEU 20 0.826 6.447 -12.486 159 HG LEU 20 HG LEU 20 2.724 6.951 -13.919 160 HD11 LEU 20 HD11 LEU 20 3.634 9.153 -14.139 161 HD12 LEU 20 HD12 LEU 20 2.434 9.814 -13.029 162 HD13 LEU 20 HD13 LEU 20 1.935 9.207 -14.608 163 HD21 LEU 20 HD21 LEU 20 2.932 6.631 -11.397 164 HD22 LEU 20 HD22 LEU 20 3.178 8.376 -11.314 165 HD23 LEU 20 HD23 LEU 20 4.299 7.369 -12.232 166 H VAL 21 H VAL 21 0.707 5.279 -14.563 167 HA VAL 21 HA VAL 21 2.490 5.627 -16.637 168 HB VAL 21 HB VAL 21 0.602 3.283 -16.413 169 HG11 VAL 21 HG11 VAL 21 1.940 3.368 -18.463 170 HG12 VAL 21 HG12 VAL 21 3.411 3.491 -17.495 171 HG13 VAL 21 HG13 VAL 21 2.427 2.028 -17.426 172 HG21 VAL 21 HG21 VAL 21 2.557 4.235 -14.543 173 HG22 VAL 21 HG22 VAL 21 1.480 2.844 -14.419 174 HG23 VAL 21 HG23 VAL 21 3.055 2.673 -15.193 175 H VAL 22 H VAL 22 -1.005 4.995 -16.877 176 HA VAL 22 HA VAL 22 -1.236 4.932 -19.640 177 HB VAL 22 HB VAL 22 -3.197 5.913 -17.568 178 HG11 VAL 22 HG11 VAL 22 -3.606 5.437 -20.516 179 HG12 VAL 22 HG12 VAL 22 -4.916 5.611 -19.345 180 HG13 VAL 22 HG13 VAL 22 -3.810 6.953 -19.640 181 HG21 VAL 22 HG21 VAL 22 -2.441 3.305 -18.670 182 HG22 VAL 22 HG22 VAL 22 -3.227 3.708 -17.143 183 HG23 VAL 22 HG23 VAL 22 -4.179 3.602 -18.623 184 H SER 23 H SER 23 -1.742 7.745 -17.504 185 HA SER 23 HA SER 23 -2.181 9.648 -19.473 186 HB2 SER 23 HB2 SER 23 -2.615 10.294 -17.239 187 HB3 SER 23 HB3 SER 23 -0.991 9.857 -16.710 188 HG SER 23 HG SER 23 -1.855 12.213 -17.561 189 H VAL 24 H VAL 24 0.904 9.110 -17.758 190 HA VAL 24 HA VAL 24 2.513 10.752 -19.271 191 HB VAL 24 HB VAL 24 3.280 8.090 -18.065 192 HG11 VAL 24 HG11 VAL 24 4.873 10.317 -19.258 193 HG12 VAL 24 HG12 VAL 24 5.548 9.364 -17.935 194 HG13 VAL 24 HG13 VAL 24 5.071 8.574 -19.438 195 HG21 VAL 24 HG21 VAL 24 2.256 9.749 -16.506 196 HG22 VAL 24 HG22 VAL 24 3.919 9.316 -16.110 197 HG23 VAL 24 HG23 VAL 24 3.574 10.854 -16.900 198 H VAL 25 H VAL 25 1.615 7.386 -19.908 199 HA VAL 25 HA VAL 25 3.250 6.847 -22.074 200 HB VAL 25 HB VAL 25 0.565 5.862 -21.235 201 HG11 VAL 25 HG11 VAL 25 0.743 4.258 -23.248 202 HG12 VAL 25 HG12 VAL 25 0.094 5.878 -23.513 203 HG13 VAL 25 HG13 VAL 25 1.760 5.510 -23.959 204 HG21 VAL 25 HG21 VAL 25 3.260 5.065 -20.952 205 HG22 VAL 25 HG22 VAL 25 1.815 4.251 -20.352 206 HG23 VAL 25 HG23 VAL 25 2.457 3.847 -21.944 207 H ALA 26 H ALA 26 -0.132 7.977 -22.261 208 HA ALA 26 HA ALA 26 -0.069 8.504 -25.028 209 HB1 ALA 26 HB1 ALA 26 -1.882 9.862 -23.049 210 HB2 ALA 26 HB2 ALA 26 -2.190 9.514 -24.751 211 HB3 ALA 26 HB3 ALA 26 -2.114 8.197 -23.581 212 H VAL 27 H VAL 27 0.648 10.495 -22.216 213 HA VAL 27 HA VAL 27 0.682 13.022 -23.305 214 HB VAL 27 HB VAL 27 2.474 11.787 -21.223 215 HG11 VAL 27 HG11 VAL 27 3.100 14.142 -20.642 216 HG12 VAL 27 HG12 VAL 27 3.780 13.551 -22.159 217 HG13 VAL 27 HG13 VAL 27 2.395 14.643 -22.179 218 HG21 VAL 27 HG21 VAL 27 0.817 13.918 -20.303 219 HG22 VAL 27 HG22 VAL 27 -0.173 12.782 -21.220 220 HG23 VAL 27 HG23 VAL 27 0.782 12.213 -19.850 221 H LEU 28 H LEU 28 3.507 10.851 -23.072 222 HA LEU 28 HA LEU 28 5.165 12.459 -24.702 223 HB2 LEU 28 HB2 LEU 28 5.364 9.514 -24.087 224 HB3 LEU 28 HB3 LEU 28 6.646 10.508 -24.777 225 HG LEU 28 HG LEU 28 5.620 11.500 -22.219 226 HD11 LEU 28 HD11 LEU 28 6.751 9.792 -20.877 227 HD12 LEU 28 HD12 LEU 28 7.037 8.841 -22.334 228 HD13 LEU 28 HD13 LEU 28 5.388 9.123 -21.775 229 HD21 LEU 28 HD21 LEU 28 8.444 10.752 -22.613 230 HD22 LEU 28 HD22 LEU 28 7.738 12.246 -21.996 231 HD23 LEU 28 HD23 LEU 28 7.799 11.951 -23.734 232 H VAL 29 H VAL 29 2.954 9.824 -25.385 233 HA VAL 29 HA VAL 29 3.745 9.155 -27.966 234 HB VAL 29 HB VAL 29 1.037 9.132 -26.653 235 HG11 VAL 29 HG11 VAL 29 0.721 7.486 -28.777 236 HG12 VAL 29 HG12 VAL 29 0.182 9.166 -28.737 237 HG13 VAL 29 HG13 VAL 29 1.723 8.751 -29.488 238 HG21 VAL 29 HG21 VAL 29 3.230 7.479 -26.423 239 HG22 VAL 29 HG22 VAL 29 1.573 7.070 -25.982 240 HG23 VAL 29 HG23 VAL 29 2.196 6.627 -27.570 241 H TYR 30 H TYR 30 1.391 11.611 -26.923 242 HA TYR 30 HA TYR 30 1.059 12.579 -29.626 243 HB2 TYR 30 HB2 TYR 30 -0.804 12.535 -27.950 244 HB3 TYR 30 HB3 TYR 30 0.036 13.796 -27.054 245 HD1 TYR 30 HD1 TYR 30 0.504 16.001 -28.281 246 HD2 TYR 30 HD2 TYR 30 -2.264 13.092 -29.687 247 HE1 TYR 30 HE1 TYR 30 -0.587 17.717 -29.665 248 HE2 TYR 30 HE2 TYR 30 -3.362 14.799 -31.076 249 HH TYR 30 HH TYR 30 -2.801 16.970 -32.112 250 H LYS 31 H LYS 31 2.470 13.780 -26.599 251 HA LYS 31 HA LYS 31 3.277 16.293 -27.483 252 HB2 LYS 31 HB2 LYS 31 3.344 15.685 -25.136 253 HB3 LYS 31 HB3 LYS 31 4.567 14.462 -25.452 254 HG2 LYS 31 HG2 LYS 31 5.851 16.596 -26.414 255 HG3 LYS 31 HG3 LYS 31 4.829 17.394 -25.216 256 HD2 LYS 31 HD2 LYS 31 6.939 16.803 -24.202 257 HD3 LYS 31 HD3 LYS 31 5.659 15.805 -23.509 258 HE2 LYS 31 HE2 LYS 31 6.507 13.900 -24.367 259 HE3 LYS 31 HE3 LYS 31 6.991 14.674 -25.875 260 HZ1 LYS 31 HZ1 LYS 31 8.470 15.320 -23.426 261 HZ2 LYS 31 HZ2 LYS 31 9.010 15.272 -25.029 262 HZ3 LYS 31 HZ3 LYS 31 8.764 13.832 -24.176 263 H PHE 32 H PHE 32 5.295 13.356 -27.252 264 HA PHE 32 HA PHE 32 7.479 14.454 -28.660 265 HB2 PHE 32 HB2 PHE 32 7.164 12.237 -27.173 266 HB3 PHE 32 HB3 PHE 32 7.052 11.519 -28.776 267 HD1 PHE 32 HD1 PHE 32 9.186 13.894 -26.851 268 HD2 PHE 32 HD2 PHE 32 8.989 10.835 -29.804 269 HE1 PHE 32 HE1 PHE 32 11.641 13.901 -27.018 270 HE2 PHE 32 HE2 PHE 32 11.443 10.836 -29.975 271 HZ PHE 32 HZ PHE 32 12.773 12.370 -28.580 272 H TYR 33 H TYR 33 4.494 13.102 -29.703 273 HA TYR 33 HA TYR 33 4.973 12.021 -32.154 274 HB2 TYR 33 HB2 TYR 33 2.731 12.713 -30.856 275 HB3 TYR 33 HB3 TYR 33 2.756 13.997 -32.059 276 HD1 TYR 33 HD1 TYR 33 1.595 10.781 -31.391 277 HD2 TYR 33 HD2 TYR 33 3.260 13.113 -34.537 278 HE1 TYR 33 HE1 TYR 33 0.614 9.244 -33.042 279 HE2 TYR 33 HE2 TYR 33 2.283 11.583 -36.196 280 HH TYR 33 HH TYR 33 -0.035 9.768 -35.886 281 H PHE 34 H PHE 34 4.633 15.492 -31.456 282 HA PHE 34 HA PHE 34 5.110 16.341 -34.115 283 HB2 PHE 34 HB2 PHE 34 4.232 17.568 -31.842 284 HB3 PHE 34 HB3 PHE 34 5.867 18.210 -31.967 285 HD1 PHE 34 HD1 PHE 34 5.918 20.295 -32.902 286 HD2 PHE 34 HD2 PHE 34 3.139 17.441 -34.400 287 HE1 PHE 34 HE1 PHE 34 5.148 21.928 -34.574 288 HE2 PHE 34 HE2 PHE 34 2.365 19.069 -36.075 289 HZ PHE 34 HZ PHE 34 3.370 21.315 -36.164 290 H HIS 35 H HIS 35 7.202 15.951 -31.291 291 HA HIS 35 HA HIS 35 9.530 17.104 -32.210 292 HB2 HIS 35 HB2 HIS 35 8.865 14.978 -30.270 293 HB3 HIS 35 HB3 HIS 35 10.524 14.967 -30.862 294 HD1 HIS 35 HD1 HIS 35 8.822 18.251 -30.485 295 HD2 HIS 35 HD2 HIS 35 11.423 15.833 -28.329 296 HE1 HIS 35 HE1 HIS 35 9.722 19.707 -28.642 297 H LEU 36 H LEU 36 8.168 13.962 -32.998 298 HA LEU 36 HA LEU 36 10.389 12.843 -34.287 299 HB2 LEU 36 HB2 LEU 36 7.452 12.437 -34.830 300 HB3 LEU 36 HB3 LEU 36 8.745 11.412 -35.449 301 HG LEU 36 HG LEU 36 8.527 11.766 -32.503 302 HD11 LEU 36 HD11 LEU 36 6.913 9.589 -33.668 303 HD12 LEU 36 HD12 LEU 36 6.231 11.212 -33.772 304 HD13 LEU 36 HD13 LEU 36 6.661 10.535 -32.201 305 HD21 LEU 36 HD21 LEU 36 9.825 9.942 -32.449 306 HD22 LEU 36 HD22 LEU 36 10.131 10.295 -34.150 307 HD23 LEU 36 HD23 LEU 36 8.892 9.122 -33.701 308 H MET 37 H MET 37 7.582 14.512 -35.727 309 HA MET 37 HA MET 37 8.453 14.533 -38.357 310 HB2 MET 37 HB2 MET 37 6.597 16.217 -36.754 311 HB3 MET 37 HB3 MET 37 7.098 16.833 -38.323 312 HG2 MET 37 HG2 MET 37 5.972 15.230 -39.472 313 HG3 MET 37 HG3 MET 37 6.148 14.032 -38.192 314 HE1 MET 37 HE1 MET 37 4.260 13.763 -36.139 315 HE2 MET 37 HE2 MET 37 5.263 15.149 -35.708 316 HE3 MET 37 HE3 MET 37 3.506 15.260 -35.588 317 H LEU 38 H LEU 38 9.043 16.931 -35.805 318 HA LEU 38 HA LEU 38 10.520 18.726 -37.401 319 HB2 LEU 38 HB2 LEU 38 10.495 18.235 -34.432 320 HB3 LEU 38 HB3 LEU 38 11.407 19.539 -35.190 321 HG LEU 38 HG LEU 38 8.450 19.311 -35.613 322 HD11 LEU 38 HD11 LEU 38 9.109 19.251 -33.130 323 HD12 LEU 38 HD12 LEU 38 7.943 20.464 -33.657 324 HD13 LEU 38 HD13 LEU 38 9.623 20.920 -33.375 325 HD21 LEU 38 HD21 LEU 38 10.170 21.764 -35.405 326 HD22 LEU 38 HD22 LEU 38 8.578 21.592 -36.144 327 HD23 LEU 38 HD23 LEU 38 9.991 20.869 -36.914 328 H LEU 39 H LEU 39 11.451 15.925 -35.480 329 HA LEU 39 HA LEU 39 14.226 16.270 -35.533 330 HB2 LEU 39 HB2 LEU 39 12.382 13.976 -35.169 331 HB3 LEU 39 HB3 LEU 39 14.070 13.613 -35.520 332 HG LEU 39 HG LEU 39 13.099 15.273 -33.195 333 HD11 LEU 39 HD11 LEU 39 12.527 13.262 -32.379 334 HD12 LEU 39 HD12 LEU 39 14.262 13.075 -32.128 335 HD13 LEU 39 HD13 LEU 39 13.500 12.387 -33.562 336 HD21 LEU 39 HD21 LEU 39 15.433 14.983 -32.407 337 HD22 LEU 39 HD22 LEU 39 15.304 15.946 -33.878 338 HD23 LEU 39 HD23 LEU 39 15.834 14.266 -33.968 339 H ALA 40 H ALA 40 12.191 14.283 -37.686 340 HA ALA 40 HA ALA 40 14.166 13.439 -39.435 341 HB1 ALA 40 HB1 ALA 40 11.503 14.112 -40.566 342 HB2 ALA 40 HB2 ALA 40 12.481 12.657 -40.758 343 HB3 ALA 40 HB3 ALA 40 11.578 12.921 -39.267 344 H GLY 41 H GLY 41 12.073 16.313 -39.728 345 HA2 GLY 41 HA2 GLY 41 13.685 17.273 -41.962 346 HA3 GLY 41 HA3 GLY 41 12.195 17.991 -41.367 347 H CYS 42 H CYS 42 14.801 17.154 -39.209 348 HA CYS 42 HA CYS 42 14.965 19.853 -38.266 349 HB2 CYS 42 HB2 CYS 42 15.233 17.777 -36.844 350 HB3 CYS 42 HB3 CYS 42 16.817 17.569 -37.579 351 HG CYS 42 HG CYS 42 17.027 18.666 -34.970 352 H ILE 43 H ILE 43 16.807 17.846 -40.438 353 HA ILE 43 HA ILE 43 18.929 19.856 -40.616 354 HB ILE 43 HB ILE 43 18.794 17.188 -42.019 355 HG12 ILE 43 HG12 ILE 43 20.207 17.897 -39.438 356 HG13 ILE 43 HG13 ILE 43 18.741 16.930 -39.554 357 HG21 ILE 43 HG21 ILE 43 20.701 17.764 -42.999 358 HG22 ILE 43 HG22 ILE 43 20.483 19.390 -42.355 359 HG23 ILE 43 HG23 ILE 43 21.422 18.203 -41.451 360 HD11 ILE 43 HD11 ILE 43 20.465 15.642 -41.257 361 HD12 ILE 43 HD12 ILE 43 21.513 16.170 -39.940 362 HD13 ILE 43 HD13 ILE 43 20.099 15.175 -39.596 363 H LYS 44 H LYS 44 17.104 21.236 -41.577 364 HA LYS 44 HA LYS 44 17.593 21.546 -44.337 365 HB2 LYS 44 HB2 LYS 44 15.303 21.087 -45.180 366 HB3 LYS 44 HB3 LYS 44 16.139 19.640 -44.632 367 HG2 LYS 44 HG2 LYS 44 14.860 19.563 -42.628 368 HG3 LYS 44 HG3 LYS 44 14.169 21.157 -42.940 369 HD2 LYS 44 HD2 LYS 44 13.777 18.839 -44.816 370 HD3 LYS 44 HD3 LYS 44 12.701 19.137 -43.449 371 HE2 LYS 44 HE2 LYS 44 11.920 21.136 -44.341 372 HE3 LYS 44 HE3 LYS 44 13.314 21.319 -45.405 373 HZ1 LYS 44 HZ1 LYS 44 11.539 20.689 -46.776 374 HZ2 LYS 44 HZ2 LYS 44 11.014 19.483 -45.714 375 HZ3 LYS 44 HZ3 LYS 44 12.451 19.278 -46.582 376 H TYR 45 H TYR 45 16.484 23.392 -45.246 377 HA TYR 45 HA TYR 45 16.019 25.424 -43.277 378 HB2 TYR 45 HB2 TYR 45 16.134 25.343 -46.267 379 HB3 TYR 45 HB3 TYR 45 15.426 26.745 -45.473 380 HD1 TYR 45 HD1 TYR 45 17.021 27.396 -43.265 381 HD2 TYR 45 HD2 TYR 45 18.289 25.729 -46.969 382 HE1 TYR 45 HE1 TYR 45 19.268 28.333 -42.912 383 HE2 TYR 45 HE2 TYR 45 20.539 26.660 -46.625 384 HH TYR 45 HH TYR 45 21.935 27.573 -45.063 385 H GLY 46 H GLY 46 14.133 26.364 -42.662 386 HA2 GLY 46 HA2 GLY 46 11.732 24.910 -42.894 387 HA3 GLY 46 HA3 GLY 46 11.878 26.549 -42.275 388 H ARG 47 H ARG 47 11.101 24.572 -45.006 389 HA ARG 47 HA ARG 47 10.558 26.944 -46.645 390 HB2 ARG 47 HB2 ARG 47 10.559 24.022 -47.423 391 HB3 ARG 47 HB3 ARG 47 10.337 25.379 -48.519 392 HG2 ARG 47 HG2 ARG 47 12.655 26.139 -47.620 393 HG3 ARG 47 HG3 ARG 47 12.809 24.449 -47.137 394 HD2 ARG 47 HD2 ARG 47 13.737 24.429 -49.250 395 HD3 ARG 47 HD3 ARG 47 12.070 23.958 -49.578 396 HE ARG 47 HE ARG 47 11.846 25.855 -50.818 397 HH11 ARG 47 HH11 ARG 47 14.503 26.286 -48.609 398 HH12 ARG 47 HH12 ARG 47 14.957 27.830 -49.252 399 HH21 ARG 47 HH21 ARG 47 12.434 27.886 -51.672 400 HH22 ARG 47 HH22 ARG 47 13.779 28.740 -50.993 401 H GLY 48 H GLY 48 8.961 23.777 -46.234 402 HA2 GLY 48 HA2 GLY 48 6.373 25.151 -46.448 403 HA3 GLY 48 HA3 GLY 48 6.648 23.434 -46.703 Start of MODEL 10 1 H1 MET 1 H MET 1 5.367 1.994 -2.346 2 HA MET 1 HA MET 1 4.069 -0.365 -1.155 3 HB2 MET 1 HB2 MET 1 3.038 2.117 -2.363 4 HB3 MET 1 HB3 MET 1 2.202 0.652 -2.859 5 HG2 MET 1 HG2 MET 1 0.985 1.319 -1.026 6 HG3 MET 1 HG3 MET 1 2.095 0.140 -0.331 7 HE1 MET 1 HE1 MET 1 2.350 1.572 2.601 8 HE2 MET 1 HE2 MET 1 2.898 0.293 1.518 9 HE3 MET 1 HE3 MET 1 4.035 1.518 2.082 10 H ASN 2 H ASN 2 3.660 -2.145 -2.379 11 HA ASN 2 HA ASN 2 3.710 -2.187 -5.212 12 HB2 ASN 2 HB2 ASN 2 5.783 -3.692 -5.349 13 HB3 ASN 2 HB3 ASN 2 6.057 -1.965 -5.144 14 HD21 ASN 2 HD21 ASN 2 6.561 -5.070 -3.878 15 HD22 ASN 2 HD22 ASN 2 7.371 -4.607 -2.424 16 H ILE 3 H ILE 3 1.734 -3.253 -4.599 17 HA ILE 3 HA ILE 3 2.131 -6.123 -4.252 18 HB ILE 3 HB ILE 3 -0.113 -5.797 -2.745 19 HG12 ILE 3 HG12 ILE 3 0.456 -4.062 -1.046 20 HG13 ILE 3 HG13 ILE 3 1.768 -3.520 -2.086 21 HG21 ILE 3 HG21 ILE 3 2.094 -7.113 -2.416 22 HG22 ILE 3 HG22 ILE 3 2.571 -5.732 -1.429 23 HG23 ILE 3 HG23 ILE 3 1.138 -6.667 -1.002 24 HD11 ILE 3 HD11 ILE 3 -1.121 -3.052 -2.283 25 HD12 ILE 3 HD12 ILE 3 0.236 -2.055 -2.807 26 HD13 ILE 3 HD13 ILE 3 -0.305 -3.404 -3.806 27 H THR 4 H THR 4 -0.016 -7.303 -4.565 28 HA THR 4 HA THR 4 -2.085 -5.977 -6.026 29 HB THR 4 HB THR 4 -1.536 -7.698 -8.035 30 HG1 THR 4 HG1 THR 4 0.767 -7.394 -8.449 31 HG21 THR 4 HG21 THR 4 -1.776 -5.016 -7.777 32 HG22 THR 4 HG22 THR 4 -1.359 -5.824 -9.289 33 HG23 THR 4 HG23 THR 4 -0.089 -5.140 -8.274 34 H SER 5 H SER 5 -3.736 -6.985 -5.073 35 HA SER 5 HA SER 5 -4.209 -9.759 -5.555 36 HB2 SER 5 HB2 SER 5 -2.621 -9.794 -3.582 37 HB3 SER 5 HB3 SER 5 -3.881 -8.984 -2.652 38 HG SER 5 HG SER 5 -3.641 -11.595 -3.289 39 H GLN 6 H GLN 6 -6.111 -10.309 -3.661 40 HA GLN 6 HA GLN 6 -8.253 -8.570 -4.514 41 HB2 GLN 6 HB2 GLN 6 -9.719 -10.178 -3.378 42 HB3 GLN 6 HB3 GLN 6 -8.604 -10.985 -4.473 43 HG2 GLN 6 HG2 GLN 6 -7.141 -11.283 -2.354 44 HG3 GLN 6 HG3 GLN 6 -8.645 -10.969 -1.490 45 HE21 GLN 6 HE21 GLN 6 -10.488 -12.348 -2.047 46 HE22 GLN 6 HE22 GLN 6 -10.190 -13.998 -2.464 47 H MET 7 H MET 7 -6.707 -6.965 -3.102 48 HA MET 7 HA MET 7 -8.096 -6.689 -0.518 49 HB2 MET 7 HB2 MET 7 -5.932 -7.166 0.168 50 HB3 MET 7 HB3 MET 7 -5.204 -6.349 -1.210 51 HG2 MET 7 HG2 MET 7 -5.783 -4.190 -0.261 52 HG3 MET 7 HG3 MET 7 -6.568 -4.987 1.101 53 HE1 MET 7 HE1 MET 7 -3.233 -5.499 -0.879 54 HE2 MET 7 HE2 MET 7 -3.183 -3.789 -0.449 55 HE3 MET 7 HE3 MET 7 -2.036 -4.915 0.277 56 H ASN 8 H ASN 8 -8.592 -4.571 0.164 57 HA ASN 8 HA ASN 8 -9.425 -2.818 -1.863 58 HB2 ASN 8 HB2 ASN 8 -9.082 -2.438 1.112 59 HB3 ASN 8 HB3 ASN 8 -9.749 -1.189 0.064 60 HD21 ASN 8 HD21 ASN 8 -11.784 -1.440 -0.794 61 HD22 ASN 8 HD22 ASN 8 -12.879 -2.666 -0.262 62 H LYS 9 H LYS 9 -6.752 -2.492 0.471 63 HA LYS 9 HA LYS 9 -5.713 -0.079 -0.287 64 HB2 LYS 9 HB2 LYS 9 -4.813 -2.331 1.193 65 HB3 LYS 9 HB3 LYS 9 -3.515 -1.866 0.102 66 HG2 LYS 9 HG2 LYS 9 -2.999 -0.546 1.873 67 HG3 LYS 9 HG3 LYS 9 -4.093 0.545 1.020 68 HD2 LYS 9 HD2 LYS 9 -5.872 0.076 2.485 69 HD3 LYS 9 HD3 LYS 9 -5.071 -1.359 3.130 70 HE2 LYS 9 HE2 LYS 9 -4.620 0.079 4.831 71 HE3 LYS 9 HE3 LYS 9 -3.240 0.450 3.799 72 HZ1 LYS 9 HZ1 LYS 9 -4.332 2.370 2.972 73 HZ2 LYS 9 HZ2 LYS 9 -4.458 2.424 4.657 74 HZ3 LYS 9 HZ3 LYS 9 -5.791 1.961 3.724 75 H THR 10 H THR 10 -4.924 -3.241 -1.717 76 HA THR 10 HA THR 10 -3.092 -2.374 -3.621 77 HB THR 10 HB THR 10 -4.405 -4.434 -4.908 78 HG1 THR 10 HG1 THR 10 -5.787 -5.028 -3.352 79 HG21 THR 10 HG21 THR 10 -2.623 -5.855 -3.985 80 HG22 THR 10 HG22 THR 10 -2.255 -4.609 -2.792 81 HG23 THR 10 HG23 THR 10 -2.003 -4.290 -4.508 82 H ILE 11 H ILE 11 -6.620 -2.548 -3.790 83 HA ILE 11 HA ILE 11 -6.943 -1.944 -6.496 84 HB ILE 11 HB ILE 11 -8.744 -1.233 -4.179 85 HG12 ILE 11 HG12 ILE 11 -9.200 -3.461 -6.133 86 HG13 ILE 11 HG13 ILE 11 -8.101 -3.701 -4.779 87 HG21 ILE 11 HG21 ILE 11 -9.305 0.159 -6.051 88 HG22 ILE 11 HG22 ILE 11 -9.266 -1.222 -7.146 89 HG23 ILE 11 HG23 ILE 11 -10.521 -1.111 -5.912 90 HD11 ILE 11 HD11 ILE 11 -9.790 -4.038 -3.392 91 HD12 ILE 11 HD12 ILE 11 -10.577 -2.540 -3.890 92 HD13 ILE 11 HD13 ILE 11 -10.860 -4.027 -4.793 93 H ILE 12 H ILE 12 -6.449 0.155 -3.713 94 HA ILE 12 HA ILE 12 -6.942 2.592 -5.107 95 HB ILE 12 HB ILE 12 -5.211 2.405 -2.663 96 HG12 ILE 12 HG12 ILE 12 -8.208 2.079 -2.835 97 HG13 ILE 12 HG13 ILE 12 -7.046 0.979 -2.102 98 HG21 ILE 12 HG21 ILE 12 -5.568 4.578 -3.816 99 HG22 ILE 12 HG22 ILE 12 -7.292 4.425 -3.480 100 HG23 ILE 12 HG23 ILE 12 -6.143 4.556 -2.149 101 HD11 ILE 12 HD11 ILE 12 -8.101 2.056 -0.316 102 HD12 ILE 12 HD12 ILE 12 -6.538 2.859 -0.473 103 HD13 ILE 12 HD13 ILE 12 -7.995 3.636 -1.093 104 H GLY 13 H GLY 13 -3.913 1.127 -3.903 105 HA2 GLY 13 HA2 GLY 13 -2.149 2.936 -5.071 106 HA3 GLY 13 HA3 GLY 13 -1.759 1.267 -4.682 107 H VAL 14 H VAL 14 -3.184 -0.221 -6.369 108 HA VAL 14 HA VAL 14 -1.783 -0.098 -8.770 109 HB VAL 14 HB VAL 14 -4.444 -1.423 -8.233 110 HG11 VAL 14 HG11 VAL 14 -3.466 -2.938 -10.143 111 HG12 VAL 14 HG12 VAL 14 -4.369 -1.470 -10.525 112 HG13 VAL 14 HG13 VAL 14 -2.605 -1.461 -10.576 113 HG21 VAL 14 HG21 VAL 14 -2.178 -3.181 -8.442 114 HG22 VAL 14 HG22 VAL 14 -1.902 -1.966 -7.195 115 HG23 VAL 14 HG23 VAL 14 -3.331 -2.995 -7.121 116 H SER 15 H SER 15 -5.137 0.887 -8.097 117 HA SER 15 HA SER 15 -5.832 1.736 -10.647 118 HB2 SER 15 HB2 SER 15 -7.482 1.532 -8.868 119 HB3 SER 15 HB3 SER 15 -6.720 2.847 -7.974 120 HG SER 15 HG SER 15 -7.755 4.221 -9.172 121 H VAL 16 H VAL 16 -4.167 3.482 -8.065 122 HA VAL 16 HA VAL 16 -4.095 5.987 -9.403 123 HB VAL 16 HB VAL 16 -2.304 4.935 -7.209 124 HG11 VAL 16 HG11 VAL 16 -2.704 7.718 -8.292 125 HG12 VAL 16 HG12 VAL 16 -1.896 7.358 -6.765 126 HG13 VAL 16 HG13 VAL 16 -1.215 6.773 -8.283 127 HG21 VAL 16 HG21 VAL 16 -4.234 6.952 -6.462 128 HG22 VAL 16 HG22 VAL 16 -5.022 5.528 -7.143 129 HG23 VAL 16 HG23 VAL 16 -3.941 5.361 -5.760 130 H LEU 17 H LEU 17 -1.581 3.511 -8.885 131 HA LEU 17 HA LEU 17 0.474 4.658 -10.314 132 HB2 LEU 17 HB2 LEU 17 -0.303 1.879 -9.647 133 HB3 LEU 17 HB3 LEU 17 0.916 2.090 -10.902 134 HG LEU 17 HG LEU 17 2.442 3.072 -9.404 135 HD11 LEU 17 HD11 LEU 17 0.026 3.564 -7.743 136 HD12 LEU 17 HD12 LEU 17 1.368 4.637 -8.136 137 HD13 LEU 17 HD13 LEU 17 1.580 3.366 -6.933 138 HD21 LEU 17 HD21 LEU 17 2.224 1.430 -7.349 139 HD22 LEU 17 HD22 LEU 17 2.659 0.843 -8.955 140 HD23 LEU 17 HD23 LEU 17 1.000 0.683 -8.376 141 H SER 18 H SER 18 -2.198 2.681 -11.529 142 HA SER 18 HA SER 18 -1.323 2.505 -14.197 143 HB2 SER 18 HB2 SER 18 -3.102 1.074 -13.247 144 HB3 SER 18 HB3 SER 18 -4.166 2.477 -13.150 145 HG SER 18 HG SER 18 -4.656 2.120 -15.149 146 H VAL 19 H VAL 19 -3.668 4.724 -12.690 147 HA VAL 19 HA VAL 19 -4.341 6.249 -14.879 148 HB VAL 19 HB VAL 19 -3.942 7.203 -12.040 149 HG11 VAL 19 HG11 VAL 19 -3.964 9.088 -13.563 150 HG12 VAL 19 HG12 VAL 19 -5.432 8.481 -14.331 151 HG13 VAL 19 HG13 VAL 19 -5.474 9.030 -12.655 152 HG21 VAL 19 HG21 VAL 19 -6.632 6.747 -13.170 153 HG22 VAL 19 HG22 VAL 19 -5.665 5.308 -12.847 154 HG23 VAL 19 HG23 VAL 19 -6.016 6.445 -11.545 155 H LEU 20 H LEU 20 -1.497 6.540 -12.802 156 HA LEU 20 HA LEU 20 -0.504 8.930 -13.936 157 HB2 LEU 20 HB2 LEU 20 0.404 8.417 -11.872 158 HB3 LEU 20 HB3 LEU 20 0.665 6.726 -12.295 159 HG LEU 20 HG LEU 20 2.580 7.312 -13.641 160 HD11 LEU 20 HD11 LEU 20 2.039 10.177 -12.879 161 HD12 LEU 20 HD12 LEU 20 1.727 9.473 -14.465 162 HD13 LEU 20 HD13 LEU 20 3.379 9.579 -13.858 163 HD21 LEU 20 HD21 LEU 20 3.046 8.923 -11.185 164 HD22 LEU 20 HD22 LEU 20 4.037 7.660 -11.916 165 HD23 LEU 20 HD23 LEU 20 2.588 7.229 -11.005 166 H VAL 21 H VAL 21 0.626 5.573 -14.383 167 HA VAL 21 HA VAL 21 2.439 6.016 -16.414 168 HB VAL 21 HB VAL 21 0.644 3.594 -16.253 169 HG11 VAL 21 HG11 VAL 21 3.490 3.373 -16.984 170 HG12 VAL 21 HG12 VAL 21 2.078 2.546 -17.645 171 HG13 VAL 21 HG13 VAL 21 2.457 4.192 -18.156 172 HG21 VAL 21 HG21 VAL 21 3.101 3.081 -14.989 173 HG22 VAL 21 HG22 VAL 21 2.513 4.607 -14.328 174 HG23 VAL 21 HG23 VAL 21 1.503 3.163 -14.248 175 H VAL 22 H VAL 22 -1.022 5.247 -16.735 176 HA VAL 22 HA VAL 22 -1.228 5.162 -19.484 177 HB VAL 22 HB VAL 22 -3.206 6.190 -17.452 178 HG11 VAL 22 HG11 VAL 22 -3.796 7.208 -19.539 179 HG12 VAL 22 HG12 VAL 22 -3.589 5.680 -20.398 180 HG13 VAL 22 HG13 VAL 22 -4.909 5.872 -19.243 181 HG21 VAL 22 HG21 VAL 22 -4.163 4.053 -17.516 182 HG22 VAL 22 HG22 VAL 22 -3.316 3.619 -19.001 183 HG23 VAL 22 HG23 VAL 22 -2.425 3.753 -17.485 184 H SER 23 H SER 23 -1.680 8.025 -17.406 185 HA SER 23 HA SER 23 -2.122 9.890 -19.417 186 HB2 SER 23 HB2 SER 23 -2.493 10.434 -17.077 187 HB3 SER 23 HB3 SER 23 -0.771 10.267 -16.733 188 HG SER 23 HG SER 23 -2.117 12.283 -18.159 189 H VAL 24 H VAL 24 0.964 9.356 -17.703 190 HA VAL 24 HA VAL 24 2.587 10.947 -19.254 191 HB VAL 24 HB VAL 24 3.391 8.282 -18.082 192 HG11 VAL 24 HG11 VAL 24 4.860 10.539 -19.289 193 HG12 VAL 24 HG12 VAL 24 5.543 9.865 -17.808 194 HG13 VAL 24 HG13 VAL 24 5.274 8.826 -19.208 195 HG21 VAL 24 HG21 VAL 24 3.081 9.141 -16.059 196 HG22 VAL 24 HG22 VAL 24 4.153 10.485 -16.454 197 HG23 VAL 24 HG23 VAL 24 2.425 10.610 -16.783 198 H VAL 25 H VAL 25 1.607 7.599 -19.842 199 HA VAL 25 HA VAL 25 3.237 7.002 -22.006 200 HB VAL 25 HB VAL 25 0.544 6.054 -21.139 201 HG11 VAL 25 HG11 VAL 25 0.080 6.003 -23.413 202 HG12 VAL 25 HG12 VAL 25 1.750 5.635 -23.848 203 HG13 VAL 25 HG13 VAL 25 0.736 4.394 -23.110 204 HG21 VAL 25 HG21 VAL 25 2.568 4.094 -21.829 205 HG22 VAL 25 HG22 VAL 25 3.162 5.283 -20.670 206 HG23 VAL 25 HG23 VAL 25 1.713 4.346 -20.307 207 H ALA 26 H ALA 26 -0.153 8.109 -22.202 208 HA ALA 26 HA ALA 26 -0.109 8.600 -24.969 209 HB1 ALA 26 HB1 ALA 26 -1.894 10.005 -22.997 210 HB2 ALA 26 HB2 ALA 26 -2.222 9.628 -24.689 211 HB3 ALA 26 HB3 ALA 26 -2.141 8.332 -23.497 212 H VAL 27 H VAL 27 0.684 10.623 -22.207 213 HA VAL 27 HA VAL 27 0.708 13.136 -23.342 214 HB VAL 27 HB VAL 27 2.500 11.921 -21.251 215 HG11 VAL 27 HG11 VAL 27 2.488 14.747 -22.290 216 HG12 VAL 27 HG12 VAL 27 3.178 14.282 -20.734 217 HG13 VAL 27 HG13 VAL 27 3.846 13.624 -22.228 218 HG21 VAL 27 HG21 VAL 27 1.031 12.723 -19.731 219 HG22 VAL 27 HG22 VAL 27 0.669 14.165 -20.678 220 HG23 VAL 27 HG23 VAL 27 -0.089 12.627 -21.090 221 H LEU 28 H LEU 28 3.542 10.980 -23.074 222 HA LEU 28 HA LEU 28 5.180 12.536 -24.766 223 HB2 LEU 28 HB2 LEU 28 5.361 9.618 -24.032 224 HB3 LEU 28 HB3 LEU 28 6.631 10.536 -24.839 225 HG LEU 28 HG LEU 28 5.812 11.789 -22.356 226 HD11 LEU 28 HD11 LEU 28 7.196 9.180 -21.941 227 HD12 LEU 28 HD12 LEU 28 5.434 9.232 -22.005 228 HD13 LEU 28 HD13 LEU 28 6.300 10.177 -20.793 229 HD21 LEU 28 HD21 LEU 28 8.139 11.967 -22.020 230 HD22 LEU 28 HD22 LEU 28 7.893 12.151 -23.757 231 HD23 LEU 28 HD23 LEU 28 8.478 10.619 -23.106 232 H VAL 29 H VAL 29 2.940 9.912 -25.368 233 HA VAL 29 HA VAL 29 3.701 9.159 -27.932 234 HB VAL 29 HB VAL 29 0.996 9.230 -26.612 235 HG11 VAL 29 HG11 VAL 29 0.645 7.524 -28.682 236 HG12 VAL 29 HG12 VAL 29 0.139 9.214 -28.694 237 HG13 VAL 29 HG13 VAL 29 1.670 8.746 -29.433 238 HG21 VAL 29 HG21 VAL 29 3.087 7.583 -26.186 239 HG22 VAL 29 HG22 VAL 29 1.403 7.097 -25.990 240 HG23 VAL 29 HG23 VAL 29 2.264 6.714 -27.481 241 H TYR 30 H TYR 30 1.365 11.666 -26.964 242 HA TYR 30 HA TYR 30 1.075 12.577 -29.691 243 HB2 TYR 30 HB2 TYR 30 -0.848 12.610 -28.163 244 HB3 TYR 30 HB3 TYR 30 0.002 13.736 -27.110 245 HD1 TYR 30 HD1 TYR 30 -0.586 13.581 -30.803 246 HD2 TYR 30 HD2 TYR 30 -0.935 15.836 -27.212 247 HE1 TYR 30 HE1 TYR 30 -1.509 15.467 -32.084 248 HE2 TYR 30 HE2 TYR 30 -1.860 17.728 -28.483 249 HH TYR 30 HH TYR 30 -2.597 18.429 -30.466 250 H LYS 31 H LYS 31 2.464 13.827 -26.675 251 HA LYS 31 HA LYS 31 3.293 16.319 -27.589 252 HB2 LYS 31 HB2 LYS 31 3.351 15.729 -25.233 253 HB3 LYS 31 HB3 LYS 31 4.578 14.507 -25.538 254 HG2 LYS 31 HG2 LYS 31 5.850 16.644 -26.519 255 HG3 LYS 31 HG3 LYS 31 4.830 17.441 -25.319 256 HD2 LYS 31 HD2 LYS 31 6.943 16.866 -24.309 257 HD3 LYS 31 HD3 LYS 31 5.674 15.856 -23.612 258 HE2 LYS 31 HE2 LYS 31 6.545 13.960 -24.461 259 HE3 LYS 31 HE3 LYS 31 6.998 14.729 -25.981 260 HZ1 LYS 31 HZ1 LYS 31 8.496 15.360 -23.530 261 HZ2 LYS 31 HZ2 LYS 31 9.009 15.410 -25.140 262 HZ3 LYS 31 HZ3 LYS 31 8.823 13.921 -24.358 263 H PHE 32 H PHE 32 5.289 13.370 -27.326 264 HA PHE 32 HA PHE 32 7.477 14.446 -28.752 265 HB2 PHE 32 HB2 PHE 32 7.245 12.311 -27.194 266 HB3 PHE 32 HB3 PHE 32 6.988 11.502 -28.737 267 HD1 PHE 32 HD1 PHE 32 8.767 11.309 -30.355 268 HD2 PHE 32 HD2 PHE 32 9.383 13.301 -26.644 269 HE1 PHE 32 HE1 PHE 32 11.200 11.220 -30.714 270 HE2 PHE 32 HE2 PHE 32 11.817 13.215 -26.998 271 HZ PHE 32 HZ PHE 32 12.728 12.174 -29.035 272 H TYR 33 H TYR 33 4.491 13.070 -29.759 273 HA TYR 33 HA TYR 33 4.960 11.929 -32.181 274 HB2 TYR 33 HB2 TYR 33 2.723 12.667 -30.901 275 HB3 TYR 33 HB3 TYR 33 2.756 13.922 -32.135 276 HD1 TYR 33 HD1 TYR 33 3.235 12.986 -34.591 277 HD2 TYR 33 HD2 TYR 33 1.588 10.721 -31.389 278 HE1 TYR 33 HE1 TYR 33 2.248 11.423 -36.213 279 HE2 TYR 33 HE2 TYR 33 0.597 9.151 -33.001 280 HH TYR 33 HH TYR 33 0.060 9.735 -36.043 281 H PHE 34 H PHE 34 4.584 15.422 -31.603 282 HA PHE 34 HA PHE 34 5.109 16.178 -34.282 283 HB2 PHE 34 HB2 PHE 34 4.180 17.474 -32.057 284 HB3 PHE 34 HB3 PHE 34 5.800 18.146 -32.209 285 HD1 PHE 34 HD1 PHE 34 3.024 17.247 -34.541 286 HD2 PHE 34 HD2 PHE 34 5.881 20.149 -33.305 287 HE1 PHE 34 HE1 PHE 34 2.218 18.780 -36.289 288 HE2 PHE 34 HE2 PHE 34 5.079 21.687 -35.049 289 HZ PHE 34 HZ PHE 34 3.244 21.004 -36.544 290 H HIS 35 H HIS 35 7.143 15.903 -31.404 291 HA HIS 35 HA HIS 35 9.476 17.059 -32.316 292 HB2 HIS 35 HB2 HIS 35 8.824 14.947 -30.337 293 HB3 HIS 35 HB3 HIS 35 10.504 15.046 -30.858 294 HD1 HIS 35 HD1 HIS 35 9.292 15.801 -27.976 295 HD2 HIS 35 HD2 HIS 35 10.487 18.432 -30.962 296 HE1 HIS 35 HE1 HIS 35 9.817 17.961 -26.799 297 H LEU 36 H LEU 36 8.170 13.871 -33.009 298 HA LEU 36 HA LEU 36 10.434 12.734 -34.207 299 HB2 LEU 36 HB2 LEU 36 7.494 12.273 -34.651 300 HB3 LEU 36 HB3 LEU 36 8.747 11.308 -35.428 301 HG LEU 36 HG LEU 36 8.794 11.517 -32.463 302 HD11 LEU 36 HD11 LEU 36 7.118 9.347 -33.510 303 HD12 LEU 36 HD12 LEU 36 6.399 10.954 -33.598 304 HD13 LEU 36 HD13 LEU 36 6.944 10.317 -32.047 305 HD21 LEU 36 HD21 LEU 36 9.388 9.363 -34.485 306 HD22 LEU 36 HD22 LEU 36 9.479 9.136 -32.739 307 HD23 LEU 36 HD23 LEU 36 10.548 10.291 -33.536 308 H MET 37 H MET 37 7.686 14.444 -35.697 309 HA MET 37 HA MET 37 8.580 14.330 -38.338 310 HB2 MET 37 HB2 MET 37 6.698 16.068 -36.822 311 HB3 MET 37 HB3 MET 37 7.217 16.620 -38.409 312 HG2 MET 37 HG2 MET 37 6.120 14.956 -39.506 313 HG3 MET 37 HG3 MET 37 6.260 13.826 -38.161 314 HE1 MET 37 HE1 MET 37 4.207 13.577 -36.237 315 HE2 MET 37 HE2 MET 37 5.317 14.869 -35.781 316 HE3 MET 37 HE3 MET 37 3.574 15.129 -35.685 317 H LEU 38 H LEU 38 9.131 16.802 -35.850 318 HA LEU 38 HA LEU 38 10.623 18.556 -37.478 319 HB2 LEU 38 HB2 LEU 38 10.256 18.174 -34.549 320 HB3 LEU 38 HB3 LEU 38 11.578 19.199 -35.105 321 HG LEU 38 HG LEU 38 9.659 20.366 -36.479 322 HD11 LEU 38 HD11 LEU 38 7.759 19.155 -36.061 323 HD12 LEU 38 HD12 LEU 38 7.642 20.390 -34.808 324 HD13 LEU 38 HD13 LEU 38 8.230 18.777 -34.403 325 HD21 LEU 38 HD21 LEU 38 9.855 20.828 -33.511 326 HD22 LEU 38 HD22 LEU 38 9.502 22.007 -34.774 327 HD23 LEU 38 HD23 LEU 38 11.114 21.302 -34.651 328 H LEU 39 H LEU 39 11.528 15.799 -35.489 329 HA LEU 39 HA LEU 39 14.322 16.179 -35.581 330 HB2 LEU 39 HB2 LEU 39 12.507 13.894 -34.997 331 HB3 LEU 39 HB3 LEU 39 14.214 13.559 -35.278 332 HG LEU 39 HG LEU 39 13.218 15.484 -33.183 333 HD11 LEU 39 HD11 LEU 39 12.766 13.804 -31.809 334 HD12 LEU 39 HD12 LEU 39 14.319 13.040 -32.148 335 HD13 LEU 39 HD13 LEU 39 12.927 12.703 -33.178 336 HD21 LEU 39 HD21 LEU 39 15.380 16.052 -33.213 337 HD22 LEU 39 HD22 LEU 39 15.833 14.643 -34.173 338 HD23 LEU 39 HD23 LEU 39 15.659 14.499 -32.423 339 H ALA 40 H ALA 40 12.085 14.417 -37.677 340 HA ALA 40 HA ALA 40 14.137 13.355 -39.364 341 HB1 ALA 40 HB1 ALA 40 12.468 12.286 -40.492 342 HB2 ALA 40 HB2 ALA 40 11.640 12.591 -38.965 343 HB3 ALA 40 HB3 ALA 40 11.349 13.642 -40.350 344 H GLY 41 H GLY 41 11.733 15.961 -39.763 345 HA2 GLY 41 HA2 GLY 41 13.091 16.857 -42.185 346 HA3 GLY 41 HA3 GLY 41 11.572 17.475 -41.553 347 H CYS 42 H CYS 42 14.379 17.121 -39.517 348 HA CYS 42 HA CYS 42 14.293 19.764 -38.601 349 HB2 CYS 42 HB2 CYS 42 15.381 17.752 -37.481 350 HB3 CYS 42 HB3 CYS 42 16.751 18.015 -38.553 351 HG CYS 42 HG CYS 42 16.761 19.080 -35.714 352 H ILE 43 H ILE 43 15.951 18.313 -41.300 353 HA ILE 43 HA ILE 43 17.095 20.949 -41.959 354 HB ILE 43 HB ILE 43 18.239 18.286 -42.798 355 HG12 ILE 43 HG12 ILE 43 19.176 20.160 -40.614 356 HG13 ILE 43 HG13 ILE 43 18.418 18.592 -40.358 357 HG21 ILE 43 HG21 ILE 43 19.582 20.971 -42.851 358 HG22 ILE 43 HG22 ILE 43 20.052 19.488 -43.681 359 HG23 ILE 43 HG23 ILE 43 18.620 20.375 -44.204 360 HD11 ILE 43 HD11 ILE 43 20.834 18.485 -40.085 361 HD12 ILE 43 HD12 ILE 43 20.297 17.497 -41.444 362 HD13 ILE 43 HD13 ILE 43 21.051 19.064 -41.737 363 H LYS 44 H LYS 44 16.347 21.840 -43.760 364 HA LYS 44 HA LYS 44 15.082 20.093 -45.769 365 HB2 LYS 44 HB2 LYS 44 14.265 22.708 -44.610 366 HB3 LYS 44 HB3 LYS 44 13.935 22.446 -46.317 367 HG2 LYS 44 HG2 LYS 44 12.917 20.191 -45.462 368 HG3 LYS 44 HG3 LYS 44 12.810 21.064 -43.932 369 HD2 LYS 44 HD2 LYS 44 11.816 22.376 -46.420 370 HD3 LYS 44 HD3 LYS 44 10.831 21.122 -45.663 371 HE2 LYS 44 HE2 LYS 44 11.942 23.356 -44.015 372 HE3 LYS 44 HE3 LYS 44 10.500 23.617 -44.994 373 HZ1 LYS 44 HZ1 LYS 44 10.359 22.756 -42.528 374 HZ2 LYS 44 HZ2 LYS 44 10.566 21.253 -43.275 375 HZ3 LYS 44 HZ3 LYS 44 9.261 22.239 -43.706 376 H TYR 45 H TYR 45 15.162 20.891 -47.997 377 HA TYR 45 HA TYR 45 17.107 22.907 -48.671 378 HB2 TYR 45 HB2 TYR 45 18.332 20.651 -48.168 379 HB3 TYR 45 HB3 TYR 45 17.714 20.173 -49.745 380 HD1 TYR 45 HD1 TYR 45 18.684 21.009 -51.751 381 HD2 TYR 45 HD2 TYR 45 19.892 22.583 -47.988 382 HE1 TYR 45 HE1 TYR 45 20.571 22.149 -52.841 383 HE2 TYR 45 HE2 TYR 45 21.782 23.729 -49.067 384 HH TYR 45 HH TYR 45 22.330 24.580 -51.399 385 H GLY 46 H GLY 46 17.298 23.190 -51.044 386 HA2 GLY 46 HA2 GLY 46 16.475 22.934 -53.240 387 HA3 GLY 46 HA3 GLY 46 15.153 21.965 -52.608 388 H ARG 47 H ARG 47 16.300 25.179 -53.275 389 HA ARG 47 HA ARG 47 13.700 26.290 -52.469 390 HB2 ARG 47 HB2 ARG 47 14.818 28.491 -52.577 391 HB3 ARG 47 HB3 ARG 47 15.597 27.399 -51.440 392 HG2 ARG 47 HG2 ARG 47 17.510 27.303 -52.630 393 HG3 ARG 47 HG3 ARG 47 16.677 27.402 -54.183 394 HD2 ARG 47 HD2 ARG 47 17.027 29.596 -54.305 395 HD3 ARG 47 HD3 ARG 47 16.355 29.846 -52.694 396 HE ARG 47 HE ARG 47 19.115 29.787 -53.408 397 HH11 ARG 47 HH11 ARG 47 16.867 29.052 -50.853 398 HH12 ARG 47 HH12 ARG 47 18.039 29.237 -49.591 399 HH21 ARG 47 HH21 ARG 47 20.668 30.033 -51.755 400 HH22 ARG 47 HH22 ARG 47 20.201 29.796 -50.105 401 H GLY 48 H GLY 48 12.492 27.556 -53.895 402 HA2 GLY 48 HA2 GLY 48 13.199 27.163 -56.733 403 HA3 GLY 48 HA3 GLY 48 11.556 27.285 -56.122
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