NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563418 | 2m7m | 19196 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.198 0.791 0.586 2 HA MET 1 HA MET 1 2.356 0.447 -1.383 3 HB2 MET 1 HB2 MET 1 -0.262 0.757 -2.854 4 HB3 MET 1 HB3 MET 1 1.240 0.085 -3.476 5 HG2 MET 1 HG2 MET 1 0.508 -1.921 -2.918 6 HG3 MET 1 HG3 MET 1 0.618 -1.442 -1.225 7 HE1 MET 1 HE1 MET 1 -2.440 -3.534 -2.481 8 HE2 MET 1 HE2 MET 1 -0.832 -3.576 -1.758 9 HE3 MET 1 HE3 MET 1 -2.245 -3.257 -0.750 10 H ALA 2 H ALA 2 1.596 2.973 -0.036 11 HA ALA 2 HA ALA 2 2.845 4.783 -1.770 12 HB1 ALA 2 HB1 ALA 2 0.217 5.948 -1.576 13 HB2 ALA 2 HB2 ALA 2 1.236 5.702 -2.995 14 HB3 ALA 2 HB3 ALA 2 0.165 4.414 -2.445 15 H GLU 3 H GLU 3 1.911 7.205 -0.969 16 HA GLU 3 HA GLU 3 2.612 7.184 1.853 17 HB2 GLU 3 HB2 GLU 3 2.094 9.612 0.146 18 HB3 GLU 3 HB3 GLU 3 3.027 9.514 1.632 19 HG2 GLU 3 HG2 GLU 3 4.814 9.409 0.320 20 HG3 GLU 3 HG3 GLU 3 4.329 7.747 -0.009 21 H ALA 4 H ALA 4 -0.168 7.469 -0.118 22 HA ALA 4 HA ALA 4 -1.849 9.118 1.327 23 HB1 ALA 4 HB1 ALA 4 -2.335 8.026 -0.877 24 HB2 ALA 4 HB2 ALA 4 -2.723 6.554 0.014 25 HB3 ALA 4 HB3 ALA 4 -3.674 8.016 0.270 26 H LEU 5 H LEU 5 -0.688 5.947 2.110 27 HA LEU 5 HA LEU 5 -2.652 5.159 3.957 28 HB2 LEU 5 HB2 LEU 5 0.235 4.472 4.320 29 HB3 LEU 5 HB3 LEU 5 -1.192 3.477 4.611 30 HG LEU 5 HG LEU 5 0.051 4.167 1.953 31 HD11 LEU 5 HD11 LEU 5 1.049 2.188 2.078 32 HD12 LEU 5 HD12 LEU 5 -0.459 1.387 2.512 33 HD13 LEU 5 HD13 LEU 5 0.546 2.110 3.767 34 HD21 LEU 5 HD21 LEU 5 -2.123 4.152 1.288 35 HD22 LEU 5 HD22 LEU 5 -2.652 3.168 2.653 36 HD23 LEU 5 HD23 LEU 5 -1.830 2.413 1.286 37 H PHE 6 H PHE 6 0.229 7.157 4.297 38 HA PHE 6 HA PHE 6 0.277 7.321 7.097 39 HB2 PHE 6 HB2 PHE 6 2.209 8.080 5.992 40 HB3 PHE 6 HB3 PHE 6 1.289 9.122 4.913 41 HD1 PHE 6 HD2 PHE 6 0.226 11.196 5.841 42 HD2 PHE 6 HD1 PHE 6 3.035 8.871 8.039 43 HE1 PHE 6 HE2 PHE 6 0.624 13.104 7.344 44 HE2 PHE 6 HE1 PHE 6 3.436 10.775 9.545 45 HZ PHE 6 HZ PHE 6 2.231 12.895 9.198 46 H LYS 7 H LYS 7 -1.219 9.466 4.689 47 HA LYS 7 HA LYS 7 -2.408 11.161 6.665 48 HB2 LYS 7 HB2 LYS 7 -3.273 10.943 3.788 49 HB3 LYS 7 HB3 LYS 7 -3.385 12.337 4.854 50 HG2 LYS 7 HG2 LYS 7 -0.940 12.525 4.849 51 HG3 LYS 7 HG3 LYS 7 -0.850 11.151 3.745 52 HD2 LYS 7 HD2 LYS 7 -0.707 13.002 2.332 53 HD3 LYS 7 HD3 LYS 7 -2.406 12.535 2.232 54 HE2 LYS 7 HE2 LYS 7 -1.992 14.368 4.410 55 HE3 LYS 7 HE3 LYS 7 -1.353 15.043 2.911 56 HZ1 LYS 7 HZ1 LYS 7 -3.407 15.086 1.946 57 HZ2 LYS 7 HZ2 LYS 7 -3.847 15.355 3.556 58 HZ3 LYS 7 HZ3 LYS 7 -4.017 13.814 2.880 59 H GLU 8 H GLU 8 -3.340 8.258 5.008 60 HA GLU 8 HA GLU 8 -6.135 8.438 5.366 61 HB2 GLU 8 HB2 GLU 8 -4.996 6.856 3.816 62 HB3 GLU 8 HB3 GLU 8 -4.447 5.937 5.211 63 HG2 GLU 8 HG2 GLU 8 -6.289 4.728 4.745 64 HG3 GLU 8 HG3 GLU 8 -7.058 5.963 5.740 65 H ILE 9 H ILE 9 -3.564 7.011 7.340 66 HA ILE 9 HA ILE 9 -5.288 5.951 9.329 67 HB ILE 9 HB ILE 9 -2.358 6.668 9.472 68 HG12 ILE 9 HG12 ILE 9 -3.010 4.901 7.830 69 HG13 ILE 9 HG13 ILE 9 -1.958 4.315 9.114 70 HG21 ILE 9 HG21 ILE 9 -3.206 6.648 11.702 71 HG22 ILE 9 HG22 ILE 9 -4.108 5.164 11.405 72 HG23 ILE 9 HG23 ILE 9 -2.346 5.130 11.444 73 HD11 ILE 9 HD11 ILE 9 -3.760 3.230 10.206 74 HD12 ILE 9 HD12 ILE 9 -4.945 4.012 9.158 75 HD13 ILE 9 HD13 ILE 9 -3.846 2.801 8.497 76 H ASP 10 H ASP 10 -4.055 9.105 8.703 77 HA ASP 10 HA ASP 10 -4.456 10.080 11.393 78 HB2 ASP 10 HB2 ASP 10 -3.272 11.079 8.924 79 HB3 ASP 10 HB3 ASP 10 -4.250 12.297 9.737 80 H VAL 11 H VAL 11 -6.705 9.402 11.553 81 HA VAL 11 HA VAL 11 -8.749 10.408 9.901 82 HB VAL 11 HB VAL 11 -9.026 9.704 12.823 83 HG11 VAL 11 HG11 VAL 11 -11.091 10.485 12.318 84 HG12 VAL 11 HG12 VAL 11 -10.899 10.196 10.588 85 HG13 VAL 11 HG13 VAL 11 -11.286 8.857 11.669 86 HG21 VAL 11 HG21 VAL 11 -8.907 7.940 10.390 87 HG22 VAL 11 HG22 VAL 11 -7.934 7.843 11.858 88 HG23 VAL 11 HG23 VAL 11 -9.646 7.424 11.906 89 H ASN 12 H ASN 12 -6.819 11.933 12.256 90 HA ASN 12 HA ASN 12 -8.737 13.993 12.922 91 HB2 ASN 12 HB2 ASN 12 -6.648 15.025 14.032 92 HB3 ASN 12 HB3 ASN 12 -7.275 13.519 14.697 93 HD21 ASN 12 HD21 ASN 12 -5.241 13.082 15.597 94 HD22 ASN 12 HD22 ASN 12 -3.931 12.506 14.627 95 H GLY 13 H GLY 13 -6.962 13.368 10.240 96 HA2 GLY 13 HA2 GLY 13 -6.163 14.626 8.487 97 HA3 GLY 13 HA3 GLY 13 -7.472 15.718 8.912 98 H ASP 14 H ASP 14 -4.537 14.895 10.726 99 HA ASP 14 HA ASP 14 -3.923 17.759 10.867 100 HB2 ASP 14 HB2 ASP 14 -2.373 17.065 12.718 101 HB3 ASP 14 HB3 ASP 14 -4.074 16.728 13.028 102 H GLY 15 H GLY 15 -2.924 14.894 9.340 103 HA2 GLY 15 HA2 GLY 15 -1.260 14.549 7.782 104 HA3 GLY 15 HA3 GLY 15 -0.819 16.242 7.952 105 H ALA 16 H ALA 16 -0.907 14.682 10.935 106 HA ALA 16 HA ALA 16 1.943 13.984 10.810 107 HB1 ALA 16 HB1 ALA 16 0.646 16.015 12.537 108 HB2 ALA 16 HB2 ALA 16 1.906 15.014 13.259 109 HB3 ALA 16 HB3 ALA 16 2.264 15.989 11.833 110 H VAL 17 H VAL 17 2.524 12.210 11.961 111 HA VAL 17 HA VAL 17 0.454 10.961 13.650 112 HB VAL 17 HB VAL 17 1.250 8.758 12.909 113 HG11 VAL 17 HG11 VAL 17 -0.493 10.337 11.646 114 HG12 VAL 17 HG12 VAL 17 0.671 10.109 10.339 115 HG13 VAL 17 HG13 VAL 17 -0.102 8.711 11.087 116 HG21 VAL 17 HG21 VAL 17 2.610 9.071 10.597 117 HG22 VAL 17 HG22 VAL 17 3.260 10.415 11.536 118 HG23 VAL 17 HG23 VAL 17 3.376 8.768 12.156 119 H SER 18 H SER 18 1.088 10.833 15.690 120 HA SER 18 HA SER 18 3.883 11.063 16.394 121 HB2 SER 18 HB2 SER 18 2.497 10.572 18.743 122 HB3 SER 18 HB3 SER 18 2.880 12.162 18.084 123 HG SER 18 HG SER 18 0.670 12.025 18.464 124 H TYR 19 H TYR 19 4.507 9.590 18.393 125 HA TYR 19 HA TYR 19 5.089 7.079 17.479 126 HB2 TYR 19 HB2 TYR 19 5.498 6.450 19.837 127 HB3 TYR 19 HB3 TYR 19 6.173 8.026 19.440 128 HD1 TYR 19 HD1 TYR 19 5.013 10.091 20.232 129 HD2 TYR 19 HD2 TYR 19 3.835 6.210 21.515 130 HE1 TYR 19 HE1 TYR 19 3.797 11.092 22.123 131 HE2 TYR 19 HE2 TYR 19 2.615 7.199 23.407 132 HH TYR 19 HH TYR 19 1.894 10.475 23.620 133 H GLU 20 H GLU 20 2.293 8.037 19.440 134 HA GLU 20 HA GLU 20 1.191 5.501 19.826 135 HB2 GLU 20 HB2 GLU 20 -0.970 6.719 20.135 136 HB3 GLU 20 HB3 GLU 20 0.360 7.364 21.086 137 HG2 GLU 20 HG2 GLU 20 0.677 9.090 19.297 138 HG3 GLU 20 HG3 GLU 20 -0.823 8.513 18.575 139 H GLU 21 H GLU 21 0.613 7.861 17.234 140 HA GLU 21 HA GLU 21 -1.344 6.461 15.838 141 HB2 GLU 21 HB2 GLU 21 0.782 8.380 14.893 142 HB3 GLU 21 HB3 GLU 21 -0.451 7.731 13.822 143 HG2 GLU 21 HG2 GLU 21 -1.676 8.773 16.191 144 HG3 GLU 21 HG3 GLU 21 -0.617 9.986 15.473 145 H VAL 22 H VAL 22 2.183 6.267 15.610 146 HA VAL 22 HA VAL 22 2.328 4.521 13.419 147 HB VAL 22 HB VAL 22 4.227 4.896 15.735 148 HG11 VAL 22 HG11 VAL 22 4.823 2.792 14.943 149 HG12 VAL 22 HG12 VAL 22 4.436 3.204 13.271 150 HG13 VAL 22 HG13 VAL 22 5.876 3.876 14.035 151 HG21 VAL 22 HG21 VAL 22 5.018 6.668 14.642 152 HG22 VAL 22 HG22 VAL 22 5.097 5.782 13.119 153 HG23 VAL 22 HG23 VAL 22 3.594 6.563 13.607 154 H LYS 23 H LYS 23 2.527 3.783 16.903 155 HA LYS 23 HA LYS 23 2.661 1.017 16.697 156 HB2 LYS 23 HB2 LYS 23 2.175 2.960 18.776 157 HB3 LYS 23 HB3 LYS 23 1.142 1.554 19.000 158 HG2 LYS 23 HG2 LYS 23 4.084 1.264 18.515 159 HG3 LYS 23 HG3 LYS 23 3.436 1.562 20.130 160 HD2 LYS 23 HD2 LYS 23 2.572 -0.711 18.345 161 HD3 LYS 23 HD3 LYS 23 3.802 -0.849 19.605 162 HE2 LYS 23 HE2 LYS 23 1.363 0.379 20.583 163 HE3 LYS 23 HE3 LYS 23 1.071 -1.222 19.904 164 HZ1 LYS 23 HZ1 LYS 23 2.396 -0.489 22.337 165 HZ2 LYS 23 HZ2 LYS 23 3.314 -1.556 21.400 166 HZ3 LYS 23 HZ3 LYS 23 1.745 -1.979 21.870 167 H ALA 24 H ALA 24 -0.118 3.161 16.596 168 HA ALA 24 HA ALA 24 -2.109 1.154 16.817 169 HB1 ALA 24 HB1 ALA 24 -2.468 3.593 17.209 170 HB2 ALA 24 HB2 ALA 24 -2.385 3.831 15.463 171 HB3 ALA 24 HB3 ALA 24 -3.668 2.840 16.158 172 H PHE 25 H PHE 25 -0.542 2.712 14.049 173 HA PHE 25 HA PHE 25 -2.053 1.691 11.981 174 HB2 PHE 25 HB2 PHE 25 0.014 3.291 11.974 175 HB3 PHE 25 HB3 PHE 25 0.933 1.810 11.729 176 HD1 PHE 25 HD2 PHE 25 -1.852 0.855 10.199 177 HD2 PHE 25 HD1 PHE 25 1.139 3.847 9.734 178 HE1 PHE 25 HE2 PHE 25 -2.333 0.956 7.789 179 HE2 PHE 25 HE1 PHE 25 0.662 3.954 7.323 180 HZ PHE 25 HZ PHE 25 -1.075 2.507 6.347 181 H VAL 26 H VAL 26 0.848 0.220 13.435 182 HA VAL 26 HA VAL 26 0.674 -2.174 11.915 183 HB VAL 26 HB VAL 26 2.656 -1.112 13.352 184 HG11 VAL 26 HG11 VAL 26 1.671 -3.304 15.165 185 HG12 VAL 26 HG12 VAL 26 3.039 -2.219 15.417 186 HG13 VAL 26 HG13 VAL 26 1.391 -1.590 15.476 187 HG21 VAL 26 HG21 VAL 26 3.695 -3.440 13.328 188 HG22 VAL 26 HG22 VAL 26 2.155 -3.996 12.672 189 HG23 VAL 26 HG23 VAL 26 3.111 -2.806 11.788 190 H SER 27 H SER 27 -0.697 -1.117 14.939 191 HA SER 27 HA SER 27 -1.371 -3.637 16.008 192 HB2 SER 27 HB2 SER 27 -2.099 -0.826 16.523 193 HB3 SER 27 HB3 SER 27 -3.325 -2.004 16.989 194 HG SER 27 HG SER 27 -0.615 -2.320 17.721 195 H LYS 28 H LYS 28 -2.740 -1.752 13.467 196 HA LYS 28 HA LYS 28 -5.343 -2.930 13.504 197 HB2 LYS 28 HB2 LYS 28 -3.823 -1.325 11.457 198 HB3 LYS 28 HB3 LYS 28 -5.427 -1.969 11.132 199 HG2 LYS 28 HG2 LYS 28 -4.764 -0.130 13.421 200 HG3 LYS 28 HG3 LYS 28 -5.425 0.393 11.869 201 HD2 LYS 28 HD2 LYS 28 -6.742 -1.552 13.764 202 HD3 LYS 28 HD3 LYS 28 -7.166 0.152 13.591 203 HE2 LYS 28 HE2 LYS 28 -7.496 -0.428 11.095 204 HE3 LYS 28 HE3 LYS 28 -7.550 -2.100 11.651 205 HZ1 LYS 28 HZ1 LYS 28 -9.663 -0.415 11.547 206 HZ2 LYS 28 HZ2 LYS 28 -9.222 -0.328 13.177 207 HZ3 LYS 28 HZ3 LYS 28 -9.587 -1.826 12.478 208 H LYS 29 H LYS 29 -2.357 -4.162 12.725 209 HA LYS 29 HA LYS 29 -3.470 -6.054 10.765 210 HB2 LYS 29 HB2 LYS 29 -0.543 -5.710 11.372 211 HB3 LYS 29 HB3 LYS 29 -1.289 -6.419 9.945 212 HG2 LYS 29 HG2 LYS 29 -1.231 -3.510 10.708 213 HG3 LYS 29 HG3 LYS 29 -0.390 -4.283 9.363 214 HD2 LYS 29 HD2 LYS 29 -3.384 -4.078 9.686 215 HD3 LYS 29 HD3 LYS 29 -2.394 -3.090 8.610 216 HE2 LYS 29 HE2 LYS 29 -1.623 -5.512 7.790 217 HE3 LYS 29 HE3 LYS 29 -3.238 -5.920 8.366 218 HZ1 LYS 29 HZ1 LYS 29 -3.072 -3.545 6.714 219 HZ2 LYS 29 HZ2 LYS 29 -4.207 -4.799 6.697 220 HZ3 LYS 29 HZ3 LYS 29 -2.718 -4.995 5.919 221 H ARG 30 H ARG 30 -2.141 -5.734 13.936 222 HA ARG 30 HA ARG 30 -2.984 -8.289 14.749 223 HB2 ARG 30 HB2 ARG 30 -0.730 -9.284 15.207 224 HB3 ARG 30 HB3 ARG 30 -1.149 -9.186 13.502 225 HG2 ARG 30 HG2 ARG 30 0.167 -6.808 13.982 226 HG3 ARG 30 HG3 ARG 30 1.057 -7.989 14.946 227 HD2 ARG 30 HD2 ARG 30 0.522 -8.021 11.988 228 HD3 ARG 30 HD3 ARG 30 2.079 -7.966 12.813 229 HE ARG 30 HE ARG 30 1.056 -10.303 13.663 230 HH11 ARG 30 HH11 ARG 30 1.407 -8.906 10.493 231 HH12 ARG 30 HH12 ARG 30 1.578 -10.436 9.696 232 HH21 ARG 30 HH21 ARG 30 1.281 -12.322 12.625 233 HH22 ARG 30 HH22 ARG 30 1.506 -12.377 10.909 234 H ALA 31 H ALA 31 -1.515 -8.854 16.902 235 HA ALA 31 HA ALA 31 -1.538 -6.349 18.456 236 HB1 ALA 31 HB1 ALA 31 -2.663 -7.348 20.127 237 HB2 ALA 31 HB2 ALA 31 -3.157 -8.473 18.861 238 HB3 ALA 31 HB3 ALA 31 -1.812 -8.881 19.925 239 H ILE 32 H ILE 32 0.612 -5.811 18.324 240 HA ILE 32 HA ILE 32 2.456 -7.645 19.697 241 HB ILE 32 HB ILE 32 3.132 -6.030 17.236 242 HG12 ILE 32 HG12 ILE 32 3.069 -9.032 17.599 243 HG13 ILE 32 HG13 ILE 32 1.772 -8.104 16.853 244 HG21 ILE 32 HG21 ILE 32 4.845 -7.884 18.885 245 HG22 ILE 32 HG22 ILE 32 5.328 -7.091 17.387 246 HG23 ILE 32 HG23 ILE 32 4.983 -6.127 18.822 247 HD11 ILE 32 HD11 ILE 32 3.479 -7.292 15.189 248 HD12 ILE 32 HD12 ILE 32 4.569 -8.511 15.850 249 HD13 ILE 32 HD13 ILE 32 3.052 -9.000 15.096 250 H LYS 33 H LYS 33 2.683 -6.589 21.588 251 HA LYS 33 HA LYS 33 2.900 -3.713 21.704 252 HB2 LYS 33 HB2 LYS 33 3.237 -4.125 24.156 253 HB3 LYS 33 HB3 LYS 33 1.735 -4.769 23.506 254 HG2 LYS 33 HG2 LYS 33 2.252 -6.739 24.361 255 HG3 LYS 33 HG3 LYS 33 3.640 -6.821 23.274 256 HD2 LYS 33 HD2 LYS 33 4.475 -7.129 25.476 257 HD3 LYS 33 HD3 LYS 33 4.921 -5.492 24.988 258 HE2 LYS 33 HE2 LYS 33 2.637 -4.883 26.143 259 HE3 LYS 33 HE3 LYS 33 2.910 -6.404 26.991 260 HZ1 LYS 33 HZ1 LYS 33 4.440 -5.456 28.266 261 HZ2 LYS 33 HZ2 LYS 33 3.967 -3.959 27.638 262 HZ3 LYS 33 HZ3 LYS 33 5.261 -4.797 26.941 263 H ASN 34 H ASN 34 4.746 -2.867 20.946 264 HA ASN 34 HA ASN 34 7.273 -3.977 21.977 265 HB2 ASN 34 HB2 ASN 34 6.734 -2.763 19.259 266 HB3 ASN 34 HB3 ASN 34 8.337 -3.165 19.867 267 HD21 ASN 34 HD21 ASN 34 7.144 -4.208 17.525 268 HD22 ASN 34 HD22 ASN 34 6.962 -5.912 17.741 269 H GLU 35 H GLU 35 7.743 -2.602 23.603 270 HA GLU 35 HA GLU 35 7.215 0.206 23.473 271 HB2 GLU 35 HB2 GLU 35 7.697 -1.584 25.503 272 HB3 GLU 35 HB3 GLU 35 9.194 -0.664 25.451 273 HG2 GLU 35 HG2 GLU 35 6.480 0.615 25.610 274 HG3 GLU 35 HG3 GLU 35 7.440 0.190 27.026 275 H GLN 36 H GLN 36 10.105 -1.811 23.161 276 HA GLN 36 HA GLN 36 11.901 0.382 22.855 277 HB2 GLN 36 HB2 GLN 36 12.284 -2.195 23.452 278 HB3 GLN 36 HB3 GLN 36 12.586 -2.279 21.722 279 HG2 GLN 36 HG2 GLN 36 14.001 -0.047 22.720 280 HG3 GLN 36 HG3 GLN 36 14.315 -1.407 23.798 281 HE21 GLN 36 HE21 GLN 36 16.015 -2.555 23.265 282 HE22 GLN 36 HE22 GLN 36 16.626 -2.801 21.668 283 H LEU 37 H LEU 37 10.444 -1.919 20.568 284 HA LEU 37 HA LEU 37 11.604 -0.868 18.243 285 HB2 LEU 37 HB2 LEU 37 10.266 -3.052 18.638 286 HB3 LEU 37 HB3 LEU 37 8.858 -2.060 18.267 287 HG LEU 37 HG LEU 37 10.181 -1.481 16.095 288 HD11 LEU 37 HD11 LEU 37 11.307 -3.978 15.706 289 HD12 LEU 37 HD12 LEU 37 11.842 -3.514 17.321 290 HD13 LEU 37 HD13 LEU 37 12.173 -2.459 15.948 291 HD21 LEU 37 HD21 LEU 37 8.892 -4.168 16.563 292 HD22 LEU 37 HD22 LEU 37 9.177 -3.435 14.984 293 HD23 LEU 37 HD23 LEU 37 8.070 -2.670 16.126 294 H LEU 38 H LEU 38 8.636 -0.029 19.954 295 HA LEU 38 HA LEU 38 7.562 1.710 18.024 296 HB2 LEU 38 HB2 LEU 38 6.204 0.901 19.824 297 HB3 LEU 38 HB3 LEU 38 7.267 1.637 21.021 298 HG LEU 38 HG LEU 38 4.989 2.743 20.483 299 HD11 LEU 38 HD11 LEU 38 6.857 4.918 20.291 300 HD12 LEU 38 HD12 LEU 38 7.449 3.691 21.410 301 HD13 LEU 38 HD13 LEU 38 5.859 4.414 21.654 302 HD21 LEU 38 HD21 LEU 38 4.715 3.910 18.563 303 HD22 LEU 38 HD22 LEU 38 5.822 2.686 17.941 304 HD23 LEU 38 HD23 LEU 38 6.435 4.273 18.407 305 H GLN 39 H GLN 39 9.626 2.356 20.846 306 HA GLN 39 HA GLN 39 9.788 5.143 20.479 307 HB2 GLN 39 HB2 GLN 39 10.689 3.334 22.365 308 HB3 GLN 39 HB3 GLN 39 12.177 3.938 21.648 309 HG2 GLN 39 HG2 GLN 39 10.187 5.987 22.338 310 HG3 GLN 39 HG3 GLN 39 10.890 5.115 23.699 311 HE21 GLN 39 HE21 GLN 39 11.896 6.663 20.668 312 HE22 GLN 39 HE22 GLN 39 13.318 7.398 21.316 313 H LEU 40 H LEU 40 12.051 2.550 19.561 314 HA LEU 40 HA LEU 40 13.930 4.190 18.285 315 HB2 LEU 40 HB2 LEU 40 13.787 1.560 18.891 316 HB3 LEU 40 HB3 LEU 40 13.515 1.504 17.150 317 HG LEU 40 HG LEU 40 15.934 2.602 18.577 318 HD11 LEU 40 HD11 LEU 40 15.306 0.104 17.097 319 HD12 LEU 40 HD12 LEU 40 16.304 0.352 18.529 320 HD13 LEU 40 HD13 LEU 40 16.922 0.791 16.936 321 HD21 LEU 40 HD21 LEU 40 16.677 2.636 16.030 322 HD22 LEU 40 HD22 LEU 40 15.905 4.023 16.801 323 HD23 LEU 40 HD23 LEU 40 14.954 2.929 15.796 324 H ILE 41 H ILE 41 11.255 2.293 16.893 325 HA ILE 41 HA ILE 41 11.630 3.131 14.238 326 HB ILE 41 HB ILE 41 9.167 2.128 15.659 327 HG12 ILE 41 HG12 ILE 41 11.068 0.552 15.399 328 HG13 ILE 41 HG13 ILE 41 9.641 0.047 14.502 329 HG21 ILE 41 HG21 ILE 41 8.292 1.732 13.329 330 HG22 ILE 41 HG22 ILE 41 8.337 3.414 13.852 331 HG23 ILE 41 HG23 ILE 41 9.572 2.801 12.755 332 HD11 ILE 41 HD11 ILE 41 12.222 0.276 13.534 333 HD12 ILE 41 HD12 ILE 41 10.750 0.063 12.586 334 HD13 ILE 41 HD13 ILE 41 11.382 1.682 12.882 335 H PHE 42 H PHE 42 9.906 4.563 16.929 336 HA PHE 42 HA PHE 42 8.338 6.417 15.543 337 HB2 PHE 42 HB2 PHE 42 7.891 6.096 17.855 338 HB3 PHE 42 HB3 PHE 42 9.554 6.467 18.303 339 HD1 PHE 42 HD1 PHE 42 6.880 8.163 16.321 340 HD2 PHE 42 HD2 PHE 42 9.770 8.442 19.432 341 HE1 PHE 42 HE1 PHE 42 6.249 10.512 16.691 342 HE2 PHE 42 HE2 PHE 42 9.145 10.790 19.808 343 HZ PHE 42 HZ PHE 42 7.382 11.830 18.438 344 H LYS 43 H LYS 43 11.571 6.835 16.980 345 HA LYS 43 HA LYS 43 11.915 9.462 15.927 346 HB2 LYS 43 HB2 LYS 43 13.198 7.903 17.826 347 HB3 LYS 43 HB3 LYS 43 14.385 8.036 16.536 348 HG2 LYS 43 HG2 LYS 43 13.176 10.593 17.071 349 HG3 LYS 43 HG3 LYS 43 13.851 9.891 18.543 350 HD2 LYS 43 HD2 LYS 43 15.961 9.462 17.227 351 HD3 LYS 43 HD3 LYS 43 15.264 10.453 15.944 352 HE2 LYS 43 HE2 LYS 43 15.221 11.634 18.644 353 HE3 LYS 43 HE3 LYS 43 16.819 11.420 17.929 354 HZ1 LYS 43 HZ1 LYS 43 15.605 13.596 17.487 355 HZ2 LYS 43 HZ2 LYS 43 14.625 12.712 16.429 356 HZ3 LYS 43 HZ3 LYS 43 16.292 12.809 16.156 357 H SER 44 H SER 44 12.673 6.239 14.813 358 HA SER 44 HA SER 44 14.496 6.964 12.773 359 HB2 SER 44 HB2 SER 44 12.806 4.534 13.299 360 HB3 SER 44 HB3 SER 44 13.726 4.679 11.802 361 HG SER 44 HG SER 44 15.328 3.962 12.949 362 H ILE 45 H ILE 45 11.018 6.211 12.677 363 HA ILE 45 HA ILE 45 10.708 6.770 9.919 364 HB ILE 45 HB ILE 45 8.667 6.725 12.142 365 HG12 ILE 45 HG12 ILE 45 9.430 4.697 10.031 366 HG13 ILE 45 HG13 ILE 45 9.746 4.571 11.758 367 HG21 ILE 45 HG21 ILE 45 6.989 6.548 10.343 368 HG22 ILE 45 HG22 ILE 45 7.838 8.094 10.332 369 HG23 ILE 45 HG23 ILE 45 8.260 6.847 9.158 370 HD11 ILE 45 HD11 ILE 45 7.067 4.515 10.397 371 HD12 ILE 45 HD12 ILE 45 7.887 3.180 11.209 372 HD13 ILE 45 HD13 ILE 45 7.298 4.555 12.144 373 H ASP 46 H ASP 46 10.681 8.754 12.776 374 HA ASP 46 HA ASP 46 9.552 11.040 11.388 375 HB2 ASP 46 HB2 ASP 46 9.324 10.340 13.936 376 HB3 ASP 46 HB3 ASP 46 10.806 11.280 14.085 377 H ALA 47 H ALA 47 10.725 12.411 10.235 378 HA ALA 47 HA ALA 47 13.526 12.223 9.983 379 HB1 ALA 47 HB1 ALA 47 11.961 13.091 8.244 380 HB2 ALA 47 HB2 ALA 47 11.812 14.571 9.191 381 HB3 ALA 47 HB3 ALA 47 13.376 14.108 8.521 382 H ASP 48 H ASP 48 11.452 14.474 11.763 383 HA ASP 48 HA ASP 48 13.858 15.631 13.001 384 HB2 ASP 48 HB2 ASP 48 12.389 17.533 13.631 385 HB3 ASP 48 HB3 ASP 48 12.494 17.298 11.888 386 H GLY 49 H GLY 49 11.162 13.635 13.560 387 HA2 GLY 49 HA2 GLY 49 10.358 12.597 15.442 388 HA3 GLY 49 HA3 GLY 49 11.928 12.934 16.156 389 H ASN 50 H ASN 50 9.704 15.408 15.034 390 HA ASN 50 HA ASN 50 9.704 16.595 17.676 391 HB2 ASN 50 HB2 ASN 50 8.491 18.454 16.580 392 HB3 ASN 50 HB3 ASN 50 9.990 18.055 15.747 393 HD21 ASN 50 HD21 ASN 50 8.003 19.485 14.513 394 HD22 ASN 50 HD22 ASN 50 7.299 18.529 13.258 395 H GLY 51 H GLY 51 8.502 14.888 18.735 396 HA2 GLY 51 HA2 GLY 51 6.563 14.175 19.748 397 HA3 GLY 51 HA3 GLY 51 5.736 15.506 18.952 398 H GLU 52 H GLU 52 6.123 14.878 16.293 399 HA GLU 52 HA GLU 52 5.250 12.148 15.860 400 HB2 GLU 52 HB2 GLU 52 3.232 13.034 14.536 401 HB3 GLU 52 HB3 GLU 52 3.106 12.979 16.288 402 HG2 GLU 52 HG2 GLU 52 2.226 15.056 15.195 403 HG3 GLU 52 HG3 GLU 52 3.401 15.309 16.485 404 H ILE 53 H ILE 53 4.925 11.708 13.500 405 HA ILE 53 HA ILE 53 6.986 13.124 11.993 406 HB ILE 53 HB ILE 53 5.516 10.687 11.029 407 HG12 ILE 53 HG12 ILE 53 7.943 9.829 12.122 408 HG13 ILE 53 HG13 ILE 53 7.259 10.899 13.341 409 HG21 ILE 53 HG21 ILE 53 8.117 12.034 10.417 410 HG22 ILE 53 HG22 ILE 53 7.885 10.323 10.055 411 HG23 ILE 53 HG23 ILE 53 6.832 11.531 9.318 412 HD11 ILE 53 HD11 ILE 53 5.666 9.438 13.890 413 HD12 ILE 53 HD12 ILE 53 5.347 9.002 12.211 414 HD13 ILE 53 HD13 ILE 53 6.693 8.258 13.075 415 H ASP 54 H ASP 54 6.516 14.568 10.480 416 HA ASP 54 HA ASP 54 3.789 15.141 9.792 417 HB2 ASP 54 HB2 ASP 54 6.213 16.328 8.453 418 HB3 ASP 54 HB3 ASP 54 4.623 17.051 8.676 419 H GLN 55 H GLN 55 3.021 15.319 7.562 420 HA GLN 55 HA GLN 55 3.209 12.927 6.161 421 HB2 GLN 55 HB2 GLN 55 2.129 14.180 4.279 422 HB3 GLN 55 HB3 GLN 55 1.313 14.348 5.828 423 HG2 GLN 55 HG2 GLN 55 2.506 16.523 6.125 424 HG3 GLN 55 HG3 GLN 55 3.087 16.358 4.469 425 HE21 GLN 55 HE21 GLN 55 2.021 18.187 3.762 426 HE22 GLN 55 HE22 GLN 55 0.303 18.252 3.578 427 H ASN 56 H ASN 56 4.827 16.024 5.529 428 HA ASN 56 HA ASN 56 6.150 15.295 3.180 429 HB2 ASN 56 HB2 ASN 56 6.022 17.559 4.743 430 HB3 ASN 56 HB3 ASN 56 7.699 17.061 4.933 431 HD21 ASN 56 HD21 ASN 56 5.223 17.669 2.490 432 HD22 ASN 56 HD22 ASN 56 6.309 18.249 1.278 433 H GLU 57 H GLU 57 7.254 15.109 6.557 434 HA GLU 57 HA GLU 57 9.804 14.091 6.064 435 HB2 GLU 57 HB2 GLU 57 8.042 13.475 8.441 436 HB3 GLU 57 HB3 GLU 57 9.793 13.347 8.378 437 HG2 GLU 57 HG2 GLU 57 10.070 15.677 8.293 438 HG3 GLU 57 HG3 GLU 57 8.369 15.944 7.916 439 H PHE 58 H PHE 58 6.716 12.422 6.502 440 HA PHE 58 HA PHE 58 7.730 9.797 6.491 441 HB2 PHE 58 HB2 PHE 58 5.366 10.664 7.113 442 HB3 PHE 58 HB3 PHE 58 5.022 10.501 5.395 443 HD1 PHE 58 HD1 PHE 58 5.812 8.706 8.488 444 HD2 PHE 58 HD2 PHE 58 4.812 8.344 4.368 445 HE1 PHE 58 HE1 PHE 58 5.334 6.315 8.818 446 HE2 PHE 58 HE2 PHE 58 4.329 5.952 4.692 447 HZ PHE 58 HZ PHE 58 4.590 4.936 6.919 448 H ALA 59 H ALA 59 6.546 11.877 3.880 449 HA ALA 59 HA ALA 59 6.688 10.008 1.799 450 HB1 ALA 59 HB1 ALA 59 7.256 12.399 0.578 451 HB2 ALA 59 HB2 ALA 59 5.641 11.775 0.921 452 HB3 ALA 59 HB3 ALA 59 6.409 12.899 2.042 453 H LYS 60 H LYS 60 9.080 12.443 2.825 454 HA LYS 60 HA LYS 60 11.066 11.660 0.974 455 HB2 LYS 60 HB2 LYS 60 10.874 13.457 3.291 456 HB3 LYS 60 HB3 LYS 60 12.477 12.779 3.038 457 HG2 LYS 60 HG2 LYS 60 12.181 14.948 1.930 458 HG3 LYS 60 HG3 LYS 60 12.536 13.651 0.787 459 HD2 LYS 60 HD2 LYS 60 10.622 13.993 -0.300 460 HD3 LYS 60 HD3 LYS 60 9.690 13.918 1.197 461 HE2 LYS 60 HE2 LYS 60 9.354 16.066 0.157 462 HE3 LYS 60 HE3 LYS 60 10.286 16.277 1.639 463 HZ1 LYS 60 HZ1 LYS 60 12.275 16.527 0.381 464 HZ2 LYS 60 HZ2 LYS 60 11.122 17.568 -0.289 465 HZ3 LYS 60 HZ3 LYS 60 11.499 16.113 -1.064 466 H PHE 61 H PHE 61 10.087 10.410 4.044 467 HA PHE 61 HA PHE 61 12.529 8.955 4.524 468 HB2 PHE 61 HB2 PHE 61 11.429 9.540 6.506 469 HB3 PHE 61 HB3 PHE 61 9.849 9.087 5.874 470 HD1 PHE 61 HD1 PHE 61 13.126 7.334 6.253 471 HD2 PHE 61 HD2 PHE 61 8.939 7.329 7.020 472 HE1 PHE 61 HE1 PHE 61 13.330 5.135 7.337 473 HE2 PHE 61 HE2 PHE 61 9.137 5.131 8.105 474 HZ PHE 61 HZ PHE 61 11.334 4.031 8.266 475 H TYR 62 H TYR 62 9.410 8.348 3.075 476 HA TYR 62 HA TYR 62 9.389 5.563 3.063 477 HB2 TYR 62 HB2 TYR 62 7.423 6.763 2.399 478 HB3 TYR 62 HB3 TYR 62 8.278 7.550 1.077 479 HD1 TYR 62 HD2 TYR 62 7.463 4.098 2.266 480 HD2 TYR 62 HD1 TYR 62 7.951 6.719 -1.049 481 HE1 TYR 62 HE2 TYR 62 6.755 2.298 0.746 482 HE2 TYR 62 HE1 TYR 62 7.244 4.927 -2.579 483 HH TYR 62 HH TYR 62 6.573 1.661 -1.394 484 H GLY 63 H GLY 63 10.795 4.169 2.246 485 HA2 GLY 63 HA2 GLY 63 12.063 3.131 0.590 486 HA3 GLY 63 HA3 GLY 63 11.855 4.551 -0.425 487 H SER 64 H SER 64 12.812 5.598 2.562 488 HA SER 64 HA SER 64 14.729 6.602 3.282 489 HB2 SER 64 HB2 SER 64 15.319 4.331 3.877 490 HB3 SER 64 HB3 SER 64 15.860 3.998 2.232 491 HG SER 64 HG SER 64 17.542 5.463 2.531 492 H ILE 65 H ILE 65 14.043 7.819 1.067 493 HA ILE 65 HA ILE 65 16.285 7.779 -0.808 494 HB ILE 65 HB ILE 65 13.859 7.850 -1.577 495 HG12 ILE 65 HG12 ILE 65 15.028 10.213 -2.834 496 HG13 ILE 65 HG13 ILE 65 16.180 8.894 -2.662 497 HG21 ILE 65 HG21 ILE 65 13.149 9.556 0.076 498 HG22 ILE 65 HG22 ILE 65 14.104 10.751 -0.802 499 HG23 ILE 65 HG23 ILE 65 12.729 9.973 -1.585 500 HD11 ILE 65 HD11 ILE 65 14.688 9.111 -4.794 501 HD12 ILE 65 HD12 ILE 65 15.034 7.529 -4.093 502 HD13 ILE 65 HD13 ILE 65 13.487 8.314 -3.779 503 H GLN 66 H GLN 66 16.162 8.966 2.040 504 HA GLN 66 HA GLN 66 16.355 11.752 1.891 505 HB2 GLN 66 HB2 GLN 66 17.543 9.744 3.797 506 HB3 GLN 66 HB3 GLN 66 17.779 11.476 3.997 507 HG2 GLN 66 HG2 GLN 66 15.274 11.704 4.001 508 HG3 GLN 66 HG3 GLN 66 15.197 9.945 4.093 509 HE21 GLN 66 HE21 GLN 66 15.774 12.867 5.787 510 HE22 GLN 66 HE22 GLN 66 16.016 12.175 7.352 Start of MODEL 2 1 H1 MET 1 H MET 1 -1.168 7.159 -5.485 2 HA MET 1 HA MET 1 -2.607 7.689 -3.316 3 HB2 MET 1 HB2 MET 1 -2.598 4.683 -3.633 4 HB3 MET 1 HB3 MET 1 -3.075 5.536 -2.172 5 HG2 MET 1 HG2 MET 1 -4.889 6.623 -3.418 6 HG3 MET 1 HG3 MET 1 -4.424 5.713 -4.854 7 HE1 MET 1 HE1 MET 1 -7.514 3.999 -4.463 8 HE2 MET 1 HE2 MET 1 -7.741 5.112 -3.114 9 HE3 MET 1 HE3 MET 1 -6.940 5.663 -4.586 10 H ALA 2 H ALA 2 -0.134 8.293 -3.904 11 HA ALA 2 HA ALA 2 1.791 6.542 -2.663 12 HB1 ALA 2 HB1 ALA 2 1.934 8.560 -4.543 13 HB2 ALA 2 HB2 ALA 2 2.699 9.261 -3.116 14 HB3 ALA 2 HB3 ALA 2 3.298 7.742 -3.782 15 H GLU 3 H GLU 3 1.997 6.387 -0.534 16 HA GLU 3 HA GLU 3 2.161 6.923 1.671 17 HB2 GLU 3 HB2 GLU 3 3.194 9.175 0.273 18 HB3 GLU 3 HB3 GLU 3 2.233 9.777 1.616 19 HG2 GLU 3 HG2 GLU 3 4.592 9.490 2.204 20 HG3 GLU 3 HG3 GLU 3 3.527 8.483 3.183 21 H ALA 4 H ALA 4 -0.413 7.263 -0.030 22 HA ALA 4 HA ALA 4 -2.048 9.162 1.260 23 HB1 ALA 4 HB1 ALA 4 -3.533 8.526 -0.267 24 HB2 ALA 4 HB2 ALA 4 -2.328 7.378 -0.852 25 HB3 ALA 4 HB3 ALA 4 -3.533 6.865 0.329 26 H LEU 5 H LEU 5 -1.072 5.937 2.114 27 HA LEU 5 HA LEU 5 -3.115 5.314 3.945 28 HB2 LEU 5 HB2 LEU 5 -0.297 4.407 4.348 29 HB3 LEU 5 HB3 LEU 5 -1.802 3.527 4.615 30 HG LEU 5 HG LEU 5 -0.465 4.109 1.977 31 HD11 LEU 5 HD11 LEU 5 -0.057 2.071 3.772 32 HD12 LEU 5 HD12 LEU 5 0.309 2.019 2.047 33 HD13 LEU 5 HD13 LEU 5 -1.222 1.378 2.643 34 HD21 LEU 5 HD21 LEU 5 -2.552 2.399 1.474 35 HD22 LEU 5 HD22 LEU 5 -2.524 4.125 1.112 36 HD23 LEU 5 HD23 LEU 5 -3.255 3.550 2.611 37 H PHE 6 H PHE 6 -0.127 7.136 4.263 38 HA PHE 6 HA PHE 6 -0.056 7.308 7.067 39 HB2 PHE 6 HB2 PHE 6 1.920 7.938 5.962 40 HB3 PHE 6 HB3 PHE 6 1.067 9.016 4.863 41 HD1 PHE 6 HD1 PHE 6 0.128 11.165 5.755 42 HD2 PHE 6 HD2 PHE 6 2.789 8.714 7.997 43 HE1 PHE 6 HE1 PHE 6 0.637 13.070 7.228 44 HE2 PHE 6 HE2 PHE 6 3.301 10.614 9.474 45 HZ PHE 6 HZ PHE 6 2.224 12.795 9.090 46 H LYS 7 H LYS 7 -1.413 9.531 4.646 47 HA LYS 7 HA LYS 7 -2.501 11.294 6.625 48 HB2 LYS 7 HB2 LYS 7 -2.902 11.066 3.642 49 HB3 LYS 7 HB3 LYS 7 -3.700 12.287 4.624 50 HG2 LYS 7 HG2 LYS 7 -1.424 13.039 5.362 51 HG3 LYS 7 HG3 LYS 7 -0.751 11.955 4.143 52 HD2 LYS 7 HD2 LYS 7 -1.739 13.172 2.376 53 HD3 LYS 7 HD3 LYS 7 -2.790 14.064 3.478 54 HE2 LYS 7 HE2 LYS 7 -0.615 14.964 4.499 55 HE3 LYS 7 HE3 LYS 7 0.165 14.361 3.038 56 HZ1 LYS 7 HZ1 LYS 7 -0.751 15.967 1.779 57 HZ2 LYS 7 HZ2 LYS 7 -0.856 16.800 3.247 58 HZ3 LYS 7 HZ3 LYS 7 -2.208 15.989 2.638 59 H GLU 8 H GLU 8 -3.600 8.473 4.932 60 HA GLU 8 HA GLU 8 -6.383 8.836 5.257 61 HB2 GLU 8 HB2 GLU 8 -5.365 7.203 3.694 62 HB3 GLU 8 HB3 GLU 8 -4.840 6.244 5.071 63 HG2 GLU 8 HG2 GLU 8 -6.763 5.166 4.405 64 HG3 GLU 8 HG3 GLU 8 -7.336 6.205 5.710 65 H ILE 9 H ILE 9 -3.935 7.226 7.244 66 HA ILE 9 HA ILE 9 -5.746 6.254 9.200 67 HB ILE 9 HB ILE 9 -2.777 6.776 9.351 68 HG12 ILE 9 HG12 ILE 9 -3.520 5.025 7.755 69 HG13 ILE 9 HG13 ILE 9 -2.566 4.371 9.082 70 HG21 ILE 9 HG21 ILE 9 -3.525 6.859 11.587 71 HG22 ILE 9 HG22 ILE 9 -4.651 5.525 11.339 72 HG23 ILE 9 HG23 ILE 9 -2.914 5.222 11.348 73 HD11 ILE 9 HD11 ILE 9 -4.636 3.658 10.189 74 HD12 ILE 9 HD12 ILE 9 -5.561 4.267 8.816 75 HD13 ILE 9 HD13 ILE 9 -4.434 2.928 8.598 76 H ASP 10 H ASP 10 -4.275 9.327 8.645 77 HA ASP 10 HA ASP 10 -4.607 10.311 11.324 78 HB2 ASP 10 HB2 ASP 10 -3.690 11.420 8.724 79 HB3 ASP 10 HB3 ASP 10 -4.324 12.568 9.900 80 H VAL 11 H VAL 11 -6.886 9.628 11.491 81 HA VAL 11 HA VAL 11 -8.948 10.741 9.951 82 HB VAL 11 HB VAL 11 -9.156 9.973 12.861 83 HG11 VAL 11 HG11 VAL 11 -11.078 10.564 10.695 84 HG12 VAL 11 HG12 VAL 11 -11.467 9.201 11.744 85 HG13 VAL 11 HG13 VAL 11 -11.219 10.805 12.435 86 HG21 VAL 11 HG21 VAL 11 -9.171 8.256 10.389 87 HG22 VAL 11 HG22 VAL 11 -8.123 8.120 11.802 88 HG23 VAL 11 HG23 VAL 11 -9.836 7.726 11.934 89 H ASN 12 H ASN 12 -6.931 12.138 12.327 90 HA ASN 12 HA ASN 12 -8.771 14.235 13.079 91 HB2 ASN 12 HB2 ASN 12 -6.634 15.177 14.175 92 HB3 ASN 12 HB3 ASN 12 -7.289 13.669 14.808 93 HD21 ASN 12 HD21 ASN 12 -5.210 13.225 15.659 94 HD22 ASN 12 HD22 ASN 12 -3.952 12.615 14.645 95 H GLY 13 H GLY 13 -7.092 13.639 10.337 96 HA2 GLY 13 HA2 GLY 13 -6.322 14.921 8.592 97 HA3 GLY 13 HA3 GLY 13 -7.545 16.069 9.117 98 H ASP 14 H ASP 14 -4.560 14.999 10.716 99 HA ASP 14 HA ASP 14 -3.767 17.821 10.911 100 HB2 ASP 14 HB2 ASP 14 -2.240 17.017 12.726 101 HB3 ASP 14 HB3 ASP 14 -3.951 16.769 13.066 102 H GLY 15 H GLY 15 -3.010 14.904 9.343 103 HA2 GLY 15 HA2 GLY 15 -1.387 14.403 7.793 104 HA3 GLY 15 HA3 GLY 15 -0.895 16.088 7.861 105 H ALA 16 H ALA 16 -0.932 14.599 10.902 106 HA ALA 16 HA ALA 16 1.911 13.877 10.718 107 HB1 ALA 16 HB1 ALA 16 1.897 14.950 13.169 108 HB2 ALA 16 HB2 ALA 16 2.308 15.867 11.719 109 HB3 ALA 16 HB3 ALA 16 0.684 15.975 12.401 110 H VAL 17 H VAL 17 2.521 12.138 11.918 111 HA VAL 17 HA VAL 17 0.471 10.918 13.651 112 HB VAL 17 HB VAL 17 1.281 8.703 12.954 113 HG11 VAL 17 HG11 VAL 17 0.010 8.591 11.032 114 HG12 VAL 17 HG12 VAL 17 -0.562 10.098 11.749 115 HG13 VAL 17 HG13 VAL 17 0.602 10.137 10.424 116 HG21 VAL 17 HG21 VAL 17 3.270 10.341 11.553 117 HG22 VAL 17 HG22 VAL 17 3.377 8.683 12.144 118 HG23 VAL 17 HG23 VAL 17 2.598 9.020 10.598 119 H SER 18 H SER 18 1.116 10.803 15.687 120 HA SER 18 HA SER 18 3.914 11.081 16.370 121 HB2 SER 18 HB2 SER 18 2.533 10.603 18.732 122 HB3 SER 18 HB3 SER 18 2.923 12.186 18.060 123 HG SER 18 HG SER 18 0.596 11.548 18.569 124 H TYR 19 H TYR 19 4.556 9.644 18.396 125 HA TYR 19 HA TYR 19 5.175 7.131 17.520 126 HB2 TYR 19 HB2 TYR 19 5.574 6.535 19.888 127 HB3 TYR 19 HB3 TYR 19 6.233 8.114 19.475 128 HD1 TYR 19 HD2 TYR 19 5.024 10.177 20.217 129 HD2 TYR 19 HD1 TYR 19 3.920 6.297 21.571 130 HE1 TYR 19 HE2 TYR 19 3.785 11.188 22.086 131 HE2 TYR 19 HE1 TYR 19 2.678 7.298 23.444 132 HH TYR 19 HH TYR 19 2.269 10.785 23.722 133 H GLU 20 H GLU 20 2.363 8.061 19.475 134 HA GLU 20 HA GLU 20 1.294 5.513 19.866 135 HB2 GLU 20 HB2 GLU 20 0.403 8.260 20.163 136 HB3 GLU 20 HB3 GLU 20 -0.904 7.217 19.621 137 HG2 GLU 20 HG2 GLU 20 -0.068 5.664 21.547 138 HG3 GLU 20 HG3 GLU 20 0.639 7.155 22.166 139 H GLU 21 H GLU 21 0.663 7.866 17.277 140 HA GLU 21 HA GLU 21 -1.268 6.434 15.883 141 HB2 GLU 21 HB2 GLU 21 0.843 8.345 14.879 142 HB3 GLU 21 HB3 GLU 21 -0.462 7.726 13.876 143 HG2 GLU 21 HG2 GLU 21 -1.872 8.660 15.970 144 HG3 GLU 21 HG3 GLU 21 -0.502 9.769 15.988 145 H VAL 22 H VAL 22 2.258 6.273 15.676 146 HA VAL 22 HA VAL 22 2.440 4.544 13.474 147 HB VAL 22 HB VAL 22 4.309 4.908 15.817 148 HG11 VAL 22 HG11 VAL 22 6.008 3.870 14.284 149 HG12 VAL 22 HG12 VAL 22 4.793 2.760 14.918 150 HG13 VAL 22 HG13 VAL 22 4.667 3.354 13.262 151 HG21 VAL 22 HG21 VAL 22 3.686 6.613 13.735 152 HG22 VAL 22 HG22 VAL 22 5.132 6.684 14.742 153 HG23 VAL 22 HG23 VAL 22 5.172 5.828 13.200 154 H LYS 23 H LYS 23 2.610 3.779 16.954 155 HA LYS 23 HA LYS 23 2.768 1.018 16.740 156 HB2 LYS 23 HB2 LYS 23 2.230 2.943 18.815 157 HB3 LYS 23 HB3 LYS 23 1.181 1.545 19.007 158 HG2 LYS 23 HG2 LYS 23 4.169 1.373 18.700 159 HG3 LYS 23 HG3 LYS 23 3.329 1.407 20.252 160 HD2 LYS 23 HD2 LYS 23 2.896 -0.650 18.086 161 HD3 LYS 23 HD3 LYS 23 3.895 -0.883 19.523 162 HE2 LYS 23 HE2 LYS 23 0.923 -0.385 19.432 163 HE3 LYS 23 HE3 LYS 23 1.734 -1.882 19.889 164 HZ1 LYS 23 HZ1 LYS 23 2.746 -0.644 21.759 165 HZ2 LYS 23 HZ2 LYS 23 1.061 -0.750 21.859 166 HZ3 LYS 23 HZ3 LYS 23 1.790 0.693 21.361 167 H ALA 24 H ALA 24 -0.054 3.122 16.658 168 HA ALA 24 HA ALA 24 -2.006 1.075 16.786 169 HB1 ALA 24 HB1 ALA 24 -3.353 2.997 15.530 170 HB2 ALA 24 HB2 ALA 24 -2.979 3.074 17.252 171 HB3 ALA 24 HB3 ALA 24 -1.984 3.955 16.093 172 H PHE 25 H PHE 25 -0.378 2.692 14.095 173 HA PHE 25 HA PHE 25 -1.847 1.739 11.964 174 HB2 PHE 25 HB2 PHE 25 0.120 3.358 11.927 175 HB3 PHE 25 HB3 PHE 25 1.163 1.939 11.927 176 HD1 PHE 25 HD1 PHE 25 0.491 0.136 10.081 177 HD2 PHE 25 HD2 PHE 25 -0.388 4.296 9.903 178 HE1 PHE 25 HE1 PHE 25 0.288 -0.016 7.634 179 HE2 PHE 25 HE2 PHE 25 -0.593 4.151 7.456 180 HZ PHE 25 HZ PHE 25 -0.257 1.994 6.318 181 H VAL 26 H VAL 26 0.986 0.199 13.476 182 HA VAL 26 HA VAL 26 0.839 -2.153 11.887 183 HB VAL 26 HB VAL 26 2.781 -1.142 13.427 184 HG11 VAL 26 HG11 VAL 26 3.095 -2.345 15.452 185 HG12 VAL 26 HG12 VAL 26 1.453 -1.701 15.488 186 HG13 VAL 26 HG13 VAL 26 1.725 -3.403 15.111 187 HG21 VAL 26 HG21 VAL 26 3.369 -2.742 11.854 188 HG22 VAL 26 HG22 VAL 26 3.755 -3.541 13.379 189 HG23 VAL 26 HG23 VAL 26 2.270 -3.949 12.521 190 H SER 27 H SER 27 -0.612 -1.156 14.895 191 HA SER 27 HA SER 27 -1.339 -3.688 15.890 192 HB2 SER 27 HB2 SER 27 -2.109 -0.881 16.411 193 HB3 SER 27 HB3 SER 27 -3.313 -2.092 16.853 194 HG SER 27 HG SER 27 -0.672 -2.566 17.605 195 H LYS 28 H LYS 28 -2.602 -1.765 13.327 196 HA LYS 28 HA LYS 28 -5.215 -2.913 13.252 197 HB2 LYS 28 HB2 LYS 28 -3.589 -1.303 11.296 198 HB3 LYS 28 HB3 LYS 28 -5.164 -1.956 10.864 199 HG2 LYS 28 HG2 LYS 28 -4.653 -0.119 13.194 200 HG3 LYS 28 HG3 LYS 28 -5.242 0.395 11.611 201 HD2 LYS 28 HD2 LYS 28 -6.622 -1.554 13.457 202 HD3 LYS 28 HD3 LYS 28 -7.073 0.136 13.222 203 HE2 LYS 28 HE2 LYS 28 -8.419 -0.563 11.593 204 HE3 LYS 28 HE3 LYS 28 -6.967 -0.909 10.655 205 HZ1 LYS 28 HZ1 LYS 28 -8.829 -2.727 11.296 206 HZ2 LYS 28 HZ2 LYS 28 -7.709 -2.970 12.539 207 HZ3 LYS 28 HZ3 LYS 28 -7.222 -3.103 10.925 208 H LYS 29 H LYS 29 -2.215 -4.178 12.582 209 HA LYS 29 HA LYS 29 -3.271 -6.050 10.573 210 HB2 LYS 29 HB2 LYS 29 -0.370 -5.935 11.267 211 HB3 LYS 29 HB3 LYS 29 -1.138 -6.328 9.734 212 HG2 LYS 29 HG2 LYS 29 -1.691 -3.980 9.396 213 HG3 LYS 29 HG3 LYS 29 -0.948 -3.577 10.946 214 HD2 LYS 29 HD2 LYS 29 1.194 -4.533 10.066 215 HD3 LYS 29 HD3 LYS 29 0.412 -4.676 8.490 216 HE2 LYS 29 HE2 LYS 29 0.591 -2.479 8.074 217 HE3 LYS 29 HE3 LYS 29 0.138 -2.035 9.719 218 HZ1 LYS 29 HZ1 LYS 29 2.692 -3.221 9.739 219 HZ2 LYS 29 HZ2 LYS 29 2.253 -1.650 10.187 220 HZ3 LYS 29 HZ3 LYS 29 2.674 -1.986 8.582 221 H ARG 30 H ARG 30 -1.606 -5.838 13.673 222 HA ARG 30 HA ARG 30 -2.673 -8.379 14.481 223 HB2 ARG 30 HB2 ARG 30 -0.440 -9.375 15.003 224 HB3 ARG 30 HB3 ARG 30 -0.780 -9.236 13.283 225 HG2 ARG 30 HG2 ARG 30 0.503 -6.866 13.891 226 HG3 ARG 30 HG3 ARG 30 1.356 -8.075 14.853 227 HD2 ARG 30 HD2 ARG 30 0.916 -8.059 11.875 228 HD3 ARG 30 HD3 ARG 30 2.448 -7.939 12.739 229 HE ARG 30 HE ARG 30 0.971 -10.337 12.145 230 HH11 ARG 30 HH11 ARG 30 3.354 -8.863 14.209 231 HH12 ARG 30 HH12 ARG 30 4.097 -10.367 14.646 232 HH21 ARG 30 HH21 ARG 30 1.938 -12.323 12.712 233 HH22 ARG 30 HH22 ARG 30 3.291 -12.335 13.792 234 H ALA 31 H ALA 31 -1.269 -8.960 16.678 235 HA ALA 31 HA ALA 31 -1.374 -6.475 18.261 236 HB1 ALA 31 HB1 ALA 31 -3.169 -8.071 18.791 237 HB2 ALA 31 HB2 ALA 31 -1.954 -9.282 19.201 238 HB3 ALA 31 HB3 ALA 31 -2.085 -7.806 20.156 239 H ILE 32 H ILE 32 0.773 -5.915 18.217 240 HA ILE 32 HA ILE 32 2.583 -7.744 19.638 241 HB ILE 32 HB ILE 32 3.268 -7.963 17.368 242 HG12 ILE 32 HG12 ILE 32 5.539 -7.058 17.427 243 HG13 ILE 32 HG13 ILE 32 5.070 -5.914 18.681 244 HG21 ILE 32 HG21 ILE 32 2.656 -6.388 15.923 245 HG22 ILE 32 HG22 ILE 32 2.461 -5.195 17.205 246 HG23 ILE 32 HG23 ILE 32 4.044 -5.451 16.472 247 HD11 ILE 32 HD11 ILE 32 4.430 -8.584 19.500 248 HD12 ILE 32 HD12 ILE 32 6.122 -8.479 19.011 249 HD13 ILE 32 HD13 ILE 32 5.496 -7.400 20.258 250 H LYS 33 H LYS 33 2.738 -6.695 21.540 251 HA LYS 33 HA LYS 33 2.915 -3.820 21.684 252 HB2 LYS 33 HB2 LYS 33 3.199 -4.248 24.140 253 HB3 LYS 33 HB3 LYS 33 1.725 -4.913 23.448 254 HG2 LYS 33 HG2 LYS 33 3.666 -6.931 23.244 255 HG3 LYS 33 HG3 LYS 33 3.825 -6.243 24.862 256 HD2 LYS 33 HD2 LYS 33 1.078 -6.789 23.894 257 HD3 LYS 33 HD3 LYS 33 2.085 -8.186 24.279 258 HE2 LYS 33 HE2 LYS 33 2.584 -6.963 26.482 259 HE3 LYS 33 HE3 LYS 33 1.198 -5.952 26.076 260 HZ1 LYS 33 HZ1 LYS 33 0.535 -7.777 27.489 261 HZ2 LYS 33 HZ2 LYS 33 1.165 -8.904 26.397 262 HZ3 LYS 33 HZ3 LYS 33 -0.166 -7.957 25.960 263 H ASN 34 H ASN 34 4.764 -2.939 20.977 264 HA ASN 34 HA ASN 34 7.284 -4.008 22.068 265 HB2 ASN 34 HB2 ASN 34 6.760 -2.848 19.326 266 HB3 ASN 34 HB3 ASN 34 8.374 -3.134 19.971 267 HD21 ASN 34 HD21 ASN 34 7.402 -4.300 17.631 268 HD22 ASN 34 HD22 ASN 34 7.285 -6.006 17.875 269 H GLU 35 H GLU 35 7.686 -2.622 23.702 270 HA GLU 35 HA GLU 35 7.118 0.177 23.546 271 HB2 GLU 35 HB2 GLU 35 8.449 -1.614 25.541 272 HB3 GLU 35 HB3 GLU 35 8.639 0.128 25.686 273 HG2 GLU 35 HG2 GLU 35 6.052 -1.408 25.706 274 HG3 GLU 35 HG3 GLU 35 6.825 -0.612 27.078 275 H GLN 36 H GLN 36 10.044 -1.801 23.332 276 HA GLN 36 HA GLN 36 11.821 0.414 23.082 277 HB2 GLN 36 HB2 GLN 36 12.226 -2.148 23.692 278 HB3 GLN 36 HB3 GLN 36 12.554 -2.248 21.967 279 HG2 GLN 36 HG2 GLN 36 13.931 0.008 23.003 280 HG3 GLN 36 HG3 GLN 36 14.263 -1.376 24.043 281 HE21 GLN 36 HE21 GLN 36 15.691 -2.848 23.387 282 HE22 GLN 36 HE22 GLN 36 16.417 -2.903 21.820 283 H LEU 37 H LEU 37 10.449 -1.889 20.745 284 HA LEU 37 HA LEU 37 11.668 -0.807 18.460 285 HB2 LEU 37 HB2 LEU 37 10.364 -3.021 18.805 286 HB3 LEU 37 HB3 LEU 37 8.948 -2.056 18.394 287 HG LEU 37 HG LEU 37 10.312 -1.440 16.265 288 HD11 LEU 37 HD11 LEU 37 12.371 -2.324 16.309 289 HD12 LEU 37 HD12 LEU 37 11.559 -3.802 15.794 290 HD13 LEU 37 HD13 LEU 37 11.933 -3.550 17.499 291 HD21 LEU 37 HD21 LEU 37 9.180 -4.214 16.602 292 HD22 LEU 37 HD22 LEU 37 9.337 -3.312 15.094 293 HD23 LEU 37 HD23 LEU 37 8.222 -2.756 16.343 294 H LEU 38 H LEU 38 8.660 -0.015 20.111 295 HA LEU 38 HA LEU 38 7.578 1.692 18.159 296 HB2 LEU 38 HB2 LEU 38 6.218 0.873 19.955 297 HB3 LEU 38 HB3 LEU 38 7.257 1.643 21.153 298 HG LEU 38 HG LEU 38 4.960 2.699 20.574 299 HD11 LEU 38 HD11 LEU 38 5.760 4.437 21.704 300 HD12 LEU 38 HD12 LEU 38 6.853 4.879 20.392 301 HD13 LEU 38 HD13 LEU 38 7.348 3.679 21.586 302 HD21 LEU 38 HD21 LEU 38 5.830 2.640 18.047 303 HD22 LEU 38 HD22 LEU 38 6.419 4.237 18.510 304 HD23 LEU 38 HD23 LEU 38 4.702 3.858 18.644 305 H GLN 39 H GLN 39 9.597 2.398 20.999 306 HA GLN 39 HA GLN 39 9.720 5.183 20.610 307 HB2 GLN 39 HB2 GLN 39 10.568 3.470 22.556 308 HB3 GLN 39 HB3 GLN 39 12.095 3.926 21.814 309 HG2 GLN 39 HG2 GLN 39 10.114 6.020 22.597 310 HG3 GLN 39 HG3 GLN 39 11.181 5.298 23.801 311 HE21 GLN 39 HE21 GLN 39 12.317 7.167 24.185 312 HE22 GLN 39 HE22 GLN 39 13.401 7.862 23.033 313 H LEU 40 H LEU 40 12.030 2.620 19.728 314 HA LEU 40 HA LEU 40 13.894 4.283 18.456 315 HB2 LEU 40 HB2 LEU 40 13.792 1.656 19.085 316 HB3 LEU 40 HB3 LEU 40 13.539 1.579 17.343 317 HG LEU 40 HG LEU 40 15.922 2.735 18.785 318 HD11 LEU 40 HD11 LEU 40 15.307 0.127 17.935 319 HD12 LEU 40 HD12 LEU 40 16.854 0.743 18.517 320 HD13 LEU 40 HD13 LEU 40 16.490 0.762 16.792 321 HD21 LEU 40 HD21 LEU 40 14.988 2.980 15.970 322 HD22 LEU 40 HD22 LEU 40 16.716 2.795 16.272 323 HD23 LEU 40 HD23 LEU 40 15.835 4.146 16.988 324 H ILE 41 H ILE 41 11.272 2.318 17.057 325 HA ILE 41 HA ILE 41 11.651 3.134 14.397 326 HB ILE 41 HB ILE 41 9.193 2.110 15.812 327 HG12 ILE 41 HG12 ILE 41 11.123 0.562 15.576 328 HG13 ILE 41 HG13 ILE 41 9.705 0.025 14.683 329 HG21 ILE 41 HG21 ILE 41 8.323 1.686 13.494 330 HG22 ILE 41 HG22 ILE 41 8.369 3.379 13.981 331 HG23 ILE 41 HG23 ILE 41 9.606 2.739 12.898 332 HD11 ILE 41 HD11 ILE 41 12.285 0.282 13.718 333 HD12 ILE 41 HD12 ILE 41 10.818 0.034 12.770 334 HD13 ILE 41 HD13 ILE 41 11.423 1.667 13.047 335 H PHE 42 H PHE 42 9.884 4.573 17.056 336 HA PHE 42 HA PHE 42 8.302 6.388 15.634 337 HB2 PHE 42 HB2 PHE 42 7.817 6.113 17.932 338 HB3 PHE 42 HB3 PHE 42 9.477 6.454 18.407 339 HD1 PHE 42 HD1 PHE 42 6.821 8.177 16.423 340 HD2 PHE 42 HD2 PHE 42 9.756 8.444 19.495 341 HE1 PHE 42 HE1 PHE 42 6.227 10.537 16.781 342 HE2 PHE 42 HE2 PHE 42 9.167 10.804 19.857 343 HZ PHE 42 HZ PHE 42 7.399 11.854 18.501 344 H LYS 43 H LYS 43 11.510 6.876 17.105 345 HA LYS 43 HA LYS 43 11.826 9.493 16.015 346 HB2 LYS 43 HB2 LYS 43 13.110 7.977 17.955 347 HB3 LYS 43 HB3 LYS 43 14.313 8.125 16.681 348 HG2 LYS 43 HG2 LYS 43 14.348 10.462 16.828 349 HG3 LYS 43 HG3 LYS 43 12.839 10.511 17.742 350 HD2 LYS 43 HD2 LYS 43 14.315 10.820 19.453 351 HD3 LYS 43 HD3 LYS 43 14.261 9.056 19.444 352 HE2 LYS 43 HE2 LYS 43 16.223 9.344 17.711 353 HE3 LYS 43 HE3 LYS 43 16.405 10.903 18.513 354 HZ1 LYS 43 HZ1 LYS 43 17.583 9.824 20.034 355 HZ2 LYS 43 HZ2 LYS 43 17.141 8.307 19.429 356 HZ3 LYS 43 HZ3 LYS 43 16.147 9.093 20.551 357 H SER 44 H SER 44 12.659 6.264 14.968 358 HA SER 44 HA SER 44 14.500 6.986 12.943 359 HB2 SER 44 HB2 SER 44 12.938 4.545 13.638 360 HB3 SER 44 HB3 SER 44 13.599 4.654 12.006 361 HG SER 44 HG SER 44 15.212 3.763 13.151 362 H ILE 45 H ILE 45 11.036 6.169 12.802 363 HA ILE 45 HA ILE 45 10.758 6.676 10.033 364 HB ILE 45 HB ILE 45 8.692 6.642 12.234 365 HG12 ILE 45 HG12 ILE 45 9.498 4.600 10.151 366 HG13 ILE 45 HG13 ILE 45 9.792 4.495 11.884 367 HG21 ILE 45 HG21 ILE 45 7.863 7.984 10.406 368 HG22 ILE 45 HG22 ILE 45 8.315 6.737 9.245 369 HG23 ILE 45 HG23 ILE 45 7.034 6.427 10.417 370 HD11 ILE 45 HD11 ILE 45 7.122 4.421 10.500 371 HD12 ILE 45 HD12 ILE 45 7.949 3.081 11.296 372 HD13 ILE 45 HD13 ILE 45 7.352 4.438 12.249 373 H ASP 46 H ASP 46 10.745 8.725 12.829 374 HA ASP 46 HA ASP 46 9.571 10.966 11.399 375 HB2 ASP 46 HB2 ASP 46 9.353 10.327 13.959 376 HB3 ASP 46 HB3 ASP 46 10.838 11.267 14.087 377 H ALA 47 H ALA 47 10.722 12.329 10.215 378 HA ALA 47 HA ALA 47 13.516 12.157 9.927 379 HB1 ALA 47 HB1 ALA 47 11.915 13.015 8.212 380 HB2 ALA 47 HB2 ALA 47 11.791 14.502 9.154 381 HB3 ALA 47 HB3 ALA 47 13.339 14.027 8.454 382 H ASP 48 H ASP 48 11.470 14.442 11.700 383 HA ASP 48 HA ASP 48 13.894 15.588 12.914 384 HB2 ASP 48 HB2 ASP 48 12.446 17.510 13.532 385 HB3 ASP 48 HB3 ASP 48 12.540 17.256 11.792 386 H GLY 49 H GLY 49 11.190 13.619 13.511 387 HA2 GLY 49 HA2 GLY 49 10.393 12.604 15.409 388 HA3 GLY 49 HA3 GLY 49 11.965 12.951 16.115 389 H ASN 50 H ASN 50 9.733 15.405 14.963 390 HA ASN 50 HA ASN 50 9.738 16.627 17.589 391 HB2 ASN 50 HB2 ASN 50 8.528 18.475 16.468 392 HB3 ASN 50 HB3 ASN 50 10.029 18.064 15.645 393 HD21 ASN 50 HD21 ASN 50 8.075 19.482 14.372 394 HD22 ASN 50 HD22 ASN 50 7.363 18.511 13.132 395 H GLY 51 H GLY 51 8.530 14.939 18.671 396 HA2 GLY 51 HA2 GLY 51 6.588 14.245 19.690 397 HA3 GLY 51 HA3 GLY 51 5.764 15.564 18.872 398 H GLU 52 H GLU 52 6.148 14.900 16.225 399 HA GLU 52 HA GLU 52 5.284 12.163 15.826 400 HB2 GLU 52 HB2 GLU 52 3.253 13.009 14.508 401 HB3 GLU 52 HB3 GLU 52 3.140 13.000 16.263 402 HG2 GLU 52 HG2 GLU 52 2.246 15.044 15.108 403 HG3 GLU 52 HG3 GLU 52 3.413 15.333 16.396 404 H ILE 53 H ILE 53 4.936 11.705 13.466 405 HA ILE 53 HA ILE 53 6.983 13.121 11.935 406 HB ILE 53 HB ILE 53 5.551 10.656 10.995 407 HG12 ILE 53 HG12 ILE 53 7.956 9.810 12.121 408 HG13 ILE 53 HG13 ILE 53 7.282 10.911 13.319 409 HG21 ILE 53 HG21 ILE 53 8.169 11.995 10.420 410 HG22 ILE 53 HG22 ILE 53 7.911 10.294 10.036 411 HG23 ILE 53 HG23 ILE 53 6.888 11.527 9.301 412 HD11 ILE 53 HD11 ILE 53 5.328 9.040 12.247 413 HD12 ILE 53 HD12 ILE 53 6.680 8.261 13.068 414 HD13 ILE 53 HD13 ILE 53 5.707 9.461 13.917 415 H ASP 54 H ASP 54 6.512 14.480 10.336 416 HA ASP 54 HA ASP 54 3.761 15.013 9.669 417 HB2 ASP 54 HB2 ASP 54 6.142 16.235 8.292 418 HB3 ASP 54 HB3 ASP 54 4.547 16.934 8.556 419 H GLN 55 H GLN 55 2.993 15.141 7.437 420 HA GLN 55 HA GLN 55 3.218 12.738 6.071 421 HB2 GLN 55 HB2 GLN 55 2.117 13.917 4.179 422 HB3 GLN 55 HB3 GLN 55 1.320 14.178 5.724 423 HG2 GLN 55 HG2 GLN 55 1.326 16.317 5.042 424 HG3 GLN 55 HG3 GLN 55 2.958 16.296 5.708 425 HE21 GLN 55 HE21 GLN 55 3.600 17.953 4.321 426 HE22 GLN 55 HE22 GLN 55 3.891 17.676 2.639 427 H ASN 56 H ASN 56 4.851 15.824 5.447 428 HA ASN 56 HA ASN 56 6.193 15.062 3.108 429 HB2 ASN 56 HB2 ASN 56 6.011 17.365 4.596 430 HB3 ASN 56 HB3 ASN 56 7.689 16.893 4.848 431 HD21 ASN 56 HD21 ASN 56 8.716 16.081 2.687 432 HD22 ASN 56 HD22 ASN 56 8.497 17.151 1.348 433 H GLU 57 H GLU 57 7.213 14.920 6.507 434 HA GLU 57 HA GLU 57 9.798 13.936 6.068 435 HB2 GLU 57 HB2 GLU 57 8.021 13.354 8.442 436 HB3 GLU 57 HB3 GLU 57 9.777 13.268 8.398 437 HG2 GLU 57 HG2 GLU 57 9.982 15.615 8.210 438 HG3 GLU 57 HG3 GLU 57 8.259 15.808 7.889 439 H PHE 58 H PHE 58 6.715 12.260 6.490 440 HA PHE 58 HA PHE 58 7.751 9.641 6.569 441 HB2 PHE 58 HB2 PHE 58 5.364 10.530 7.122 442 HB3 PHE 58 HB3 PHE 58 5.054 10.266 5.410 443 HD1 PHE 58 HD1 PHE 58 5.273 7.973 4.463 444 HD2 PHE 58 HD2 PHE 58 5.431 8.735 8.648 445 HE1 PHE 58 HE1 PHE 58 4.819 5.597 4.909 446 HE2 PHE 58 HE2 PHE 58 4.978 6.359 9.101 447 HZ PHE 58 HZ PHE 58 4.672 4.787 7.231 448 H ALA 59 H ALA 59 6.527 11.613 3.887 449 HA ALA 59 HA ALA 59 6.744 9.691 1.866 450 HB1 ALA 59 HB1 ALA 59 6.412 12.592 2.014 451 HB2 ALA 59 HB2 ALA 59 7.236 12.038 0.555 452 HB3 ALA 59 HB3 ALA 59 5.637 11.410 0.956 453 H LYS 60 H LYS 60 9.057 12.225 2.831 454 HA LYS 60 HA LYS 60 11.078 11.454 1.016 455 HB2 LYS 60 HB2 LYS 60 10.932 13.192 3.430 456 HB3 LYS 60 HB3 LYS 60 12.524 12.686 2.884 457 HG2 LYS 60 HG2 LYS 60 12.271 13.762 0.809 458 HG3 LYS 60 HG3 LYS 60 10.532 13.966 1.038 459 HD2 LYS 60 HD2 LYS 60 10.797 15.846 2.235 460 HD3 LYS 60 HD3 LYS 60 12.157 15.184 3.145 461 HE2 LYS 60 HE2 LYS 60 13.650 15.646 1.281 462 HE3 LYS 60 HE3 LYS 60 12.297 16.250 0.326 463 HZ1 LYS 60 HZ1 LYS 60 12.932 17.459 2.938 464 HZ2 LYS 60 HZ2 LYS 60 12.116 18.137 1.621 465 HZ3 LYS 60 HZ3 LYS 60 13.793 17.918 1.555 466 H PHE 61 H PHE 61 10.117 10.246 4.109 467 HA PHE 61 HA PHE 61 12.592 8.871 4.640 468 HB2 PHE 61 HB2 PHE 61 11.459 9.441 6.602 469 HB3 PHE 61 HB3 PHE 61 9.895 8.958 5.953 470 HD1 PHE 61 HD1 PHE 61 13.191 7.258 6.396 471 HD2 PHE 61 HD2 PHE 61 8.994 7.198 7.102 472 HE1 PHE 61 HE1 PHE 61 13.412 5.073 7.505 473 HE2 PHE 61 HE2 PHE 61 9.209 5.013 8.212 474 HZ PHE 61 HZ PHE 61 11.419 3.947 8.416 475 H TYR 62 H TYR 62 9.493 8.123 3.196 476 HA TYR 62 HA TYR 62 9.653 5.326 3.209 477 HB2 TYR 62 HB2 TYR 62 7.570 6.383 2.669 478 HB3 TYR 62 HB3 TYR 62 8.287 7.231 1.302 479 HD1 TYR 62 HD2 TYR 62 7.264 3.900 2.546 480 HD2 TYR 62 HD1 TYR 62 8.430 6.210 -0.831 481 HE1 TYR 62 HE2 TYR 62 6.599 2.055 1.062 482 HE2 TYR 62 HE1 TYR 62 7.768 4.371 -2.325 483 HH TYR 62 HH TYR 62 6.841 2.357 -2.468 484 H GLY 63 H GLY 63 11.112 4.046 2.302 485 HA2 GLY 63 HA2 GLY 63 12.399 3.115 0.608 486 HA3 GLY 63 HA3 GLY 63 11.955 4.463 -0.428 487 H SER 64 H SER 64 13.010 5.716 2.446 488 HA SER 64 HA SER 64 15.599 6.376 1.271 489 HB2 SER 64 HB2 SER 64 14.208 8.226 2.096 490 HB3 SER 64 HB3 SER 64 14.205 7.512 3.707 491 HG SER 64 HG SER 64 15.876 8.810 3.902 492 H ILE 65 H ILE 65 15.010 3.736 2.471 493 HA ILE 65 HA ILE 65 16.662 3.717 4.874 494 HB ILE 65 HB ILE 65 15.497 1.276 3.567 495 HG12 ILE 65 HG12 ILE 65 14.097 3.179 5.459 496 HG13 ILE 65 HG13 ILE 65 13.664 2.879 3.779 497 HG21 ILE 65 HG21 ILE 65 17.055 1.726 5.845 498 HG22 ILE 65 HG22 ILE 65 15.431 1.386 6.439 499 HG23 ILE 65 HG23 ILE 65 16.242 0.232 5.381 500 HD11 ILE 65 HD11 ILE 65 13.252 0.490 4.426 501 HD12 ILE 65 HD12 ILE 65 13.434 0.997 6.105 502 HD13 ILE 65 HD13 ILE 65 12.140 1.672 5.114 503 H GLN 66 H GLN 66 17.563 4.131 1.949 504 HA GLN 66 HA GLN 66 19.100 1.977 1.094 505 HB2 GLN 66 HB2 GLN 66 19.105 4.898 0.623 506 HB3 GLN 66 HB3 GLN 66 20.602 4.056 0.247 507 HG2 GLN 66 HG2 GLN 66 18.685 2.454 -0.897 508 HG3 GLN 66 HG3 GLN 66 18.065 4.082 -1.167 509 HE21 GLN 66 HE21 GLN 66 20.218 5.575 -1.604 510 HE22 GLN 66 HE22 GLN 66 21.099 5.022 -2.983 Start of MODEL 3 1 H1 MET 1 H MET 1 -0.707 3.939 -4.489 2 HA MET 1 HA MET 1 -1.938 4.948 -2.362 3 HB2 MET 1 HB2 MET 1 -2.353 1.968 -2.119 4 HB3 MET 1 HB3 MET 1 -2.898 3.219 -1.010 5 HG2 MET 1 HG2 MET 1 -4.172 4.061 -3.169 6 HG3 MET 1 HG3 MET 1 -4.024 2.362 -3.612 7 HE1 MET 1 HE1 MET 1 -6.280 3.990 0.062 8 HE2 MET 1 HE2 MET 1 -4.563 4.272 -0.224 9 HE3 MET 1 HE3 MET 1 -5.765 4.983 -1.303 10 H ALA 2 H ALA 2 0.198 5.565 -2.038 11 HA ALA 2 HA ALA 2 1.943 3.480 -0.897 12 HB1 ALA 2 HB1 ALA 2 3.842 4.482 -1.826 13 HB2 ALA 2 HB2 ALA 2 2.646 4.530 -3.123 14 HB3 ALA 2 HB3 ALA 2 2.988 5.982 -2.183 15 H GLU 3 H GLU 3 1.873 7.048 -0.955 16 HA GLU 3 HA GLU 3 2.611 7.091 1.858 17 HB2 GLU 3 HB2 GLU 3 2.988 9.452 1.557 18 HB3 GLU 3 HB3 GLU 3 3.730 8.587 0.218 19 HG2 GLU 3 HG2 GLU 3 1.168 9.168 -0.671 20 HG3 GLU 3 HG3 GLU 3 1.677 10.615 0.198 21 H ALA 4 H ALA 4 -0.178 7.464 -0.115 22 HA ALA 4 HA ALA 4 -1.793 9.161 1.350 23 HB1 ALA 4 HB1 ALA 4 -3.539 8.380 0.104 24 HB2 ALA 4 HB2 ALA 4 -2.193 7.795 -0.873 25 HB3 ALA 4 HB3 ALA 4 -3.024 6.698 0.229 26 H LEU 5 H LEU 5 -0.750 5.939 2.104 27 HA LEU 5 HA LEU 5 -2.732 5.211 3.954 28 HB2 LEU 5 HB2 LEU 5 0.130 4.421 4.302 29 HB3 LEU 5 HB3 LEU 5 -1.330 3.476 4.592 30 HG LEU 5 HG LEU 5 -0.070 4.137 1.935 31 HD11 LEU 5 HD11 LEU 5 0.688 2.205 3.555 32 HD12 LEU 5 HD12 LEU 5 0.565 1.946 1.815 33 HD13 LEU 5 HD13 LEU 5 -0.727 1.396 2.882 34 HD21 LEU 5 HD21 LEU 5 -2.221 4.183 1.235 35 HD22 LEU 5 HD22 LEU 5 -2.813 3.286 2.635 36 HD23 LEU 5 HD23 LEU 5 -2.035 2.429 1.303 37 H PHE 6 H PHE 6 0.224 7.097 4.300 38 HA PHE 6 HA PHE 6 0.288 7.243 7.100 39 HB2 PHE 6 HB2 PHE 6 2.243 7.960 6.039 40 HB3 PHE 6 HB3 PHE 6 1.367 8.984 4.906 41 HD1 PHE 6 HD1 PHE 6 0.380 11.128 5.704 42 HD2 PHE 6 HD2 PHE 6 2.999 8.788 8.110 43 HE1 PHE 6 HE1 PHE 6 0.791 13.077 7.147 44 HE2 PHE 6 HE2 PHE 6 3.413 10.734 9.557 45 HZ PHE 6 HZ PHE 6 2.308 12.882 9.079 46 H LYS 7 H LYS 7 -1.158 9.447 4.714 47 HA LYS 7 HA LYS 7 -2.279 11.165 6.713 48 HB2 LYS 7 HB2 LYS 7 -2.286 12.498 4.918 49 HB3 LYS 7 HB3 LYS 7 -2.029 11.134 3.839 50 HG2 LYS 7 HG2 LYS 7 -4.440 10.700 3.823 51 HG3 LYS 7 HG3 LYS 7 -4.687 12.090 4.883 52 HD2 LYS 7 HD2 LYS 7 -3.215 12.443 2.308 53 HD3 LYS 7 HD3 LYS 7 -4.976 12.335 2.296 54 HE2 LYS 7 HE2 LYS 7 -3.556 14.212 4.151 55 HE3 LYS 7 HE3 LYS 7 -3.866 14.661 2.475 56 HZ1 LYS 7 HZ1 LYS 7 -5.875 15.284 3.124 57 HZ2 LYS 7 HZ2 LYS 7 -5.648 14.657 4.679 58 HZ3 LYS 7 HZ3 LYS 7 -6.248 13.665 3.446 59 H GLU 8 H GLU 8 -3.310 8.309 5.034 60 HA GLU 8 HA GLU 8 -6.097 8.577 5.405 61 HB2 GLU 8 HB2 GLU 8 -4.991 6.970 3.838 62 HB3 GLU 8 HB3 GLU 8 -4.510 6.012 5.231 63 HG2 GLU 8 HG2 GLU 8 -6.398 4.892 4.808 64 HG3 GLU 8 HG3 GLU 8 -7.160 6.222 5.679 65 H ILE 9 H ILE 9 -3.555 7.091 7.365 66 HA ILE 9 HA ILE 9 -5.290 6.029 9.342 67 HB ILE 9 HB ILE 9 -2.356 6.729 9.492 68 HG12 ILE 9 HG12 ILE 9 -3.053 4.957 7.853 69 HG13 ILE 9 HG13 ILE 9 -1.960 4.390 9.111 70 HG21 ILE 9 HG21 ILE 9 -3.135 6.714 11.724 71 HG22 ILE 9 HG22 ILE 9 -4.145 5.297 11.438 72 HG23 ILE 9 HG23 ILE 9 -2.389 5.139 11.455 73 HD11 ILE 9 HD11 ILE 9 -4.925 4.087 9.374 74 HD12 ILE 9 HD12 ILE 9 -3.947 2.918 8.486 75 HD13 ILE 9 HD13 ILE 9 -3.641 3.205 10.199 76 H ASP 10 H ASP 10 -4.031 9.181 8.747 77 HA ASP 10 HA ASP 10 -4.422 10.144 11.438 78 HB2 ASP 10 HB2 ASP 10 -3.324 11.191 8.930 79 HB3 ASP 10 HB3 ASP 10 -4.232 12.384 9.854 80 H VAL 11 H VAL 11 -6.671 9.433 11.596 81 HA VAL 11 HA VAL 11 -8.727 10.477 9.977 82 HB VAL 11 HB VAL 11 -8.986 9.659 12.871 83 HG11 VAL 11 HG11 VAL 11 -10.887 10.158 10.640 84 HG12 VAL 11 HG12 VAL 11 -11.263 8.871 11.790 85 HG13 VAL 11 HG13 VAL 11 -11.037 10.526 12.359 86 HG21 VAL 11 HG21 VAL 11 -7.889 7.851 11.801 87 HG22 VAL 11 HG22 VAL 11 -9.596 7.414 11.889 88 HG23 VAL 11 HG23 VAL 11 -8.909 7.988 10.369 89 H ASN 12 H ASN 12 -6.780 11.948 12.336 90 HA ASN 12 HA ASN 12 -8.705 13.947 13.138 91 HB2 ASN 12 HB2 ASN 12 -6.584 14.992 14.181 92 HB3 ASN 12 HB3 ASN 12 -7.159 13.460 14.832 93 HD21 ASN 12 HD21 ASN 12 -5.057 13.081 15.634 94 HD22 ASN 12 HD22 ASN 12 -3.793 12.534 14.591 95 H GLY 13 H GLY 13 -7.062 13.447 10.355 96 HA2 GLY 13 HA2 GLY 13 -6.397 14.773 8.598 97 HA3 GLY 13 HA3 GLY 13 -7.669 15.850 9.154 98 H ASP 14 H ASP 14 -4.573 14.935 10.642 99 HA ASP 14 HA ASP 14 -3.923 17.799 10.807 100 HB2 ASP 14 HB2 ASP 14 -2.366 17.110 12.644 101 HB3 ASP 14 HB3 ASP 14 -4.066 16.798 12.989 102 H GLY 15 H GLY 15 -3.042 14.870 9.326 103 HA2 GLY 15 HA2 GLY 15 -1.421 14.434 7.747 104 HA3 GLY 15 HA3 GLY 15 -0.942 16.121 7.850 105 H ALA 16 H ALA 16 -0.994 14.626 10.875 106 HA ALA 16 HA ALA 16 1.844 13.886 10.707 107 HB1 ALA 16 HB1 ALA 16 1.846 14.968 13.146 108 HB2 ALA 16 HB2 ALA 16 2.236 15.890 11.693 109 HB3 ALA 16 HB3 ALA 16 0.620 15.989 12.393 110 H VAL 17 H VAL 17 2.418 12.124 11.877 111 HA VAL 17 HA VAL 17 0.370 10.946 13.641 112 HB VAL 17 HB VAL 17 1.127 8.713 12.927 113 HG11 VAL 17 HG11 VAL 17 -0.197 8.628 11.044 114 HG12 VAL 17 HG12 VAL 17 -0.714 10.154 11.764 115 HG13 VAL 17 HG13 VAL 17 0.419 10.154 10.411 116 HG21 VAL 17 HG21 VAL 17 3.112 10.319 11.484 117 HG22 VAL 17 HG22 VAL 17 3.204 8.658 12.068 118 HG23 VAL 17 HG23 VAL 17 2.396 9.012 10.541 119 H SER 18 H SER 18 1.049 10.827 15.667 120 HA SER 18 HA SER 18 3.855 11.056 16.310 121 HB2 SER 18 HB2 SER 18 2.524 10.557 18.688 122 HB3 SER 18 HB3 SER 18 2.880 12.150 18.020 123 HG SER 18 HG SER 18 0.654 11.883 18.509 124 H TYR 19 H TYR 19 4.536 9.585 18.290 125 HA TYR 19 HA TYR 19 5.103 7.075 17.360 126 HB2 TYR 19 HB2 TYR 19 5.585 6.451 19.705 127 HB3 TYR 19 HB3 TYR 19 6.241 8.031 19.286 128 HD1 TYR 19 HD1 TYR 19 5.074 10.094 20.096 129 HD2 TYR 19 HD2 TYR 19 3.996 6.205 21.447 130 HE1 TYR 19 HE1 TYR 19 3.911 11.091 22.020 131 HE2 TYR 19 HE2 TYR 19 2.830 7.192 23.374 132 HH TYR 19 HH TYR 19 1.768 10.029 23.627 133 H GLU 20 H GLU 20 2.377 8.013 19.429 134 HA GLU 20 HA GLU 20 1.293 5.478 19.843 135 HB2 GLU 20 HB2 GLU 20 0.553 8.150 20.384 136 HB3 GLU 20 HB3 GLU 20 -0.808 7.414 19.552 137 HG2 GLU 20 HG2 GLU 20 0.048 5.536 21.445 138 HG3 GLU 20 HG3 GLU 20 0.052 7.097 22.262 139 H GLU 21 H GLU 21 0.638 7.828 17.262 140 HA GLU 21 HA GLU 21 -1.361 6.416 15.931 141 HB2 GLU 21 HB2 GLU 21 0.742 8.292 14.842 142 HB3 GLU 21 HB3 GLU 21 -0.626 7.706 13.907 143 HG2 GLU 21 HG2 GLU 21 -1.921 8.670 16.050 144 HG3 GLU 21 HG3 GLU 21 -0.514 9.733 16.040 145 H VAL 22 H VAL 22 2.157 6.223 15.620 146 HA VAL 22 HA VAL 22 2.250 4.484 13.417 147 HB VAL 22 HB VAL 22 4.204 4.870 15.685 148 HG11 VAL 22 HG11 VAL 22 4.208 2.979 13.427 149 HG12 VAL 22 HG12 VAL 22 5.707 3.875 13.681 150 HG13 VAL 22 HG13 VAL 22 5.032 2.893 14.983 151 HG21 VAL 22 HG21 VAL 22 4.964 6.634 14.559 152 HG22 VAL 22 HG22 VAL 22 5.018 5.731 13.046 153 HG23 VAL 22 HG23 VAL 22 3.521 6.513 13.552 154 H LYS 23 H LYS 23 2.536 3.742 16.894 155 HA LYS 23 HA LYS 23 2.665 0.974 16.677 156 HB2 LYS 23 HB2 LYS 23 2.230 2.914 18.776 157 HB3 LYS 23 HB3 LYS 23 1.223 1.494 19.026 158 HG2 LYS 23 HG2 LYS 23 4.191 1.384 18.546 159 HG3 LYS 23 HG3 LYS 23 3.443 1.404 20.145 160 HD2 LYS 23 HD2 LYS 23 2.929 -0.666 18.010 161 HD3 LYS 23 HD3 LYS 23 4.010 -0.876 19.390 162 HE2 LYS 23 HE2 LYS 23 1.029 -0.437 19.464 163 HE3 LYS 23 HE3 LYS 23 1.892 -1.917 19.874 164 HZ1 LYS 23 HZ1 LYS 23 3.057 -0.185 21.523 165 HZ2 LYS 23 HZ2 LYS 23 1.701 -1.103 21.945 166 HZ3 LYS 23 HZ3 LYS 23 1.512 0.499 21.435 167 H ALA 24 H ALA 24 -0.114 3.123 16.667 168 HA ALA 24 HA ALA 24 -2.097 1.115 16.940 169 HB1 ALA 24 HB1 ALA 24 -3.511 2.838 16.983 170 HB2 ALA 24 HB2 ALA 24 -2.081 3.869 16.909 171 HB3 ALA 24 HB3 ALA 24 -2.943 3.450 15.429 172 H PHE 25 H PHE 25 -0.611 2.689 14.137 173 HA PHE 25 HA PHE 25 -2.189 1.688 12.109 174 HB2 PHE 25 HB2 PHE 25 -0.161 3.300 12.013 175 HB3 PHE 25 HB3 PHE 25 0.797 1.838 11.809 176 HD1 PHE 25 HD2 PHE 25 -2.075 0.881 10.340 177 HD2 PHE 25 HD1 PHE 25 1.056 3.700 9.732 178 HE1 PHE 25 HE2 PHE 25 -2.565 0.898 7.930 179 HE2 PHE 25 HE1 PHE 25 0.570 3.722 7.319 180 HZ PHE 25 HZ PHE 25 -1.241 2.319 6.415 181 H VAL 26 H VAL 26 0.752 0.201 13.462 182 HA VAL 26 HA VAL 26 0.530 -2.180 11.929 183 HB VAL 26 HB VAL 26 2.555 -1.134 13.312 184 HG11 VAL 26 HG11 VAL 26 1.625 -3.334 15.143 185 HG12 VAL 26 HG12 VAL 26 2.995 -2.243 15.362 186 HG13 VAL 26 HG13 VAL 26 1.347 -1.624 15.469 187 HG21 VAL 26 HG21 VAL 26 2.365 -4.120 13.105 188 HG22 VAL 26 HG22 VAL 26 2.441 -3.101 11.669 189 HG23 VAL 26 HG23 VAL 26 3.763 -3.079 12.835 190 H SER 27 H SER 27 -0.749 -1.147 15.003 191 HA SER 27 HA SER 27 -1.397 -3.674 16.070 192 HB2 SER 27 HB2 SER 27 -2.188 -0.863 16.598 193 HB3 SER 27 HB3 SER 27 -3.296 -2.109 17.172 194 HG SER 27 HG SER 27 -0.584 -2.475 17.689 195 H LYS 28 H LYS 28 -2.835 -1.770 13.583 196 HA LYS 28 HA LYS 28 -5.438 -2.946 13.685 197 HB2 LYS 28 HB2 LYS 28 -3.972 -1.332 11.604 198 HB3 LYS 28 HB3 LYS 28 -5.586 -1.972 11.322 199 HG2 LYS 28 HG2 LYS 28 -4.855 -0.144 13.600 200 HG3 LYS 28 HG3 LYS 28 -5.559 0.386 12.071 201 HD2 LYS 28 HD2 LYS 28 -6.824 -1.568 13.993 202 HD3 LYS 28 HD3 LYS 28 -7.250 0.139 13.844 203 HE2 LYS 28 HE2 LYS 28 -7.512 -0.601 11.284 204 HE3 LYS 28 HE3 LYS 28 -7.864 -2.144 12.061 205 HZ1 LYS 28 HZ1 LYS 28 -9.474 -0.813 13.485 206 HZ2 LYS 28 HZ2 LYS 28 -9.916 -1.090 11.876 207 HZ3 LYS 28 HZ3 LYS 28 -9.308 0.420 12.337 208 H LYS 29 H LYS 29 -2.476 -4.175 12.811 209 HA LYS 29 HA LYS 29 -3.648 -6.058 10.878 210 HB2 LYS 29 HB2 LYS 29 -0.703 -5.721 11.395 211 HB3 LYS 29 HB3 LYS 29 -1.494 -6.417 9.986 212 HG2 LYS 29 HG2 LYS 29 -1.411 -3.513 10.773 213 HG3 LYS 29 HG3 LYS 29 -0.607 -4.275 9.397 214 HD2 LYS 29 HD2 LYS 29 -3.591 -4.071 9.806 215 HD3 LYS 29 HD3 LYS 29 -2.630 -3.077 8.710 216 HE2 LYS 29 HE2 LYS 29 -1.899 -5.561 7.919 217 HE3 LYS 29 HE3 LYS 29 -3.560 -5.856 8.432 218 HZ1 LYS 29 HZ1 LYS 29 -4.124 -5.114 6.427 219 HZ2 LYS 29 HZ2 LYS 29 -2.588 -4.476 6.119 220 HZ3 LYS 29 HZ3 LYS 29 -3.725 -3.564 6.976 221 H ARG 30 H ARG 30 -2.261 -5.750 14.018 222 HA ARG 30 HA ARG 30 -3.059 -8.322 14.825 223 HB2 ARG 30 HB2 ARG 30 -0.786 -9.291 15.242 224 HB3 ARG 30 HB3 ARG 30 -1.232 -9.187 13.543 225 HG2 ARG 30 HG2 ARG 30 0.061 -6.796 14.024 226 HG3 ARG 30 HG3 ARG 30 0.982 -7.973 14.961 227 HD2 ARG 30 HD2 ARG 30 0.398 -7.983 12.012 228 HD3 ARG 30 HD3 ARG 30 1.968 -7.921 12.813 229 HE ARG 30 HE ARG 30 0.977 -10.277 13.653 230 HH11 ARG 30 HH11 ARG 30 1.282 -8.843 10.496 231 HH12 ARG 30 HH12 ARG 30 1.461 -10.361 9.680 232 HH21 ARG 30 HH21 ARG 30 1.211 -12.282 12.590 233 HH22 ARG 30 HH22 ARG 30 1.419 -12.316 10.873 234 H ALA 31 H ALA 31 -1.558 -8.883 16.954 235 HA ALA 31 HA ALA 31 -1.582 -6.388 18.523 236 HB1 ALA 31 HB1 ALA 31 -2.292 -9.199 19.328 237 HB2 ALA 31 HB2 ALA 31 -2.036 -7.894 20.488 238 HB3 ALA 31 HB3 ALA 31 -3.338 -7.778 19.303 239 H ILE 32 H ILE 32 0.561 -5.831 18.367 240 HA ILE 32 HA ILE 32 2.439 -7.656 19.704 241 HB ILE 32 HB ILE 32 4.225 -6.748 18.142 242 HG12 ILE 32 HG12 ILE 32 2.254 -6.341 16.010 243 HG13 ILE 32 HG13 ILE 32 2.189 -5.111 17.268 244 HG21 ILE 32 HG21 ILE 32 2.325 -8.860 17.803 245 HG22 ILE 32 HG22 ILE 32 2.816 -8.248 16.224 246 HG23 ILE 32 HG23 ILE 32 4.033 -8.819 17.366 247 HD11 ILE 32 HD11 ILE 32 4.832 -5.844 16.127 248 HD12 ILE 32 HD12 ILE 32 3.739 -4.834 15.180 249 HD13 ILE 32 HD13 ILE 32 4.268 -4.306 16.777 250 H LYS 33 H LYS 33 2.678 -6.605 21.597 251 HA LYS 33 HA LYS 33 2.888 -3.726 21.714 252 HB2 LYS 33 HB2 LYS 33 3.225 -4.137 24.165 253 HB3 LYS 33 HB3 LYS 33 1.724 -4.783 23.516 254 HG2 LYS 33 HG2 LYS 33 2.243 -6.827 24.187 255 HG3 LYS 33 HG3 LYS 33 3.801 -6.760 23.360 256 HD2 LYS 33 HD2 LYS 33 4.924 -6.167 25.241 257 HD3 LYS 33 HD3 LYS 33 3.574 -5.226 25.880 258 HE2 LYS 33 HE2 LYS 33 2.430 -7.258 26.535 259 HE3 LYS 33 HE3 LYS 33 3.700 -8.239 25.807 260 HZ1 LYS 33 HZ1 LYS 33 3.607 -7.056 28.386 261 HZ2 LYS 33 HZ2 LYS 33 4.986 -6.545 27.551 262 HZ3 LYS 33 HZ3 LYS 33 4.695 -8.196 27.773 263 H ASN 34 H ASN 34 4.734 -2.888 20.948 264 HA ASN 34 HA ASN 34 7.261 -3.996 21.981 265 HB2 ASN 34 HB2 ASN 34 6.732 -2.784 19.260 266 HB3 ASN 34 HB3 ASN 34 8.329 -3.212 19.868 267 HD21 ASN 34 HD21 ASN 34 5.714 -4.252 18.110 268 HD22 ASN 34 HD22 ASN 34 6.050 -5.947 18.099 269 H GLU 35 H GLU 35 7.738 -2.614 23.599 270 HA GLU 35 HA GLU 35 7.211 0.193 23.457 271 HB2 GLU 35 HB2 GLU 35 7.780 -1.627 25.483 272 HB3 GLU 35 HB3 GLU 35 9.190 -0.579 25.443 273 HG2 GLU 35 HG2 GLU 35 6.325 0.238 25.837 274 HG3 GLU 35 HG3 GLU 35 7.632 0.302 27.018 275 H GLN 36 H GLN 36 10.100 -1.827 23.147 276 HA GLN 36 HA GLN 36 11.895 0.365 22.826 277 HB2 GLN 36 HB2 GLN 36 12.853 -1.651 23.604 278 HB3 GLN 36 HB3 GLN 36 12.115 -2.593 22.315 279 HG2 GLN 36 HG2 GLN 36 13.814 -2.227 20.929 280 HG3 GLN 36 HG3 GLN 36 13.867 -0.507 21.311 281 HE21 GLN 36 HE21 GLN 36 16.180 -0.777 21.168 282 HE22 GLN 36 HE22 GLN 36 17.056 -1.369 22.535 283 H LEU 37 H LEU 37 10.419 -1.940 20.554 284 HA LEU 37 HA LEU 37 11.577 -0.904 18.221 285 HB2 LEU 37 HB2 LEU 37 10.240 -3.083 18.625 286 HB3 LEU 37 HB3 LEU 37 8.828 -2.089 18.267 287 HG LEU 37 HG LEU 37 10.133 -1.514 16.082 288 HD11 LEU 37 HD11 LEU 37 12.224 -2.483 16.430 289 HD12 LEU 37 HD12 LEU 37 11.400 -3.622 15.366 290 HD13 LEU 37 HD13 LEU 37 11.533 -3.965 17.091 291 HD21 LEU 37 HD21 LEU 37 9.173 -3.585 15.026 292 HD22 LEU 37 HD22 LEU 37 8.046 -2.640 15.999 293 HD23 LEU 37 HD23 LEU 37 8.744 -4.123 16.651 294 H LEU 38 H LEU 38 8.619 -0.049 19.938 295 HA LEU 38 HA LEU 38 7.543 1.687 18.005 296 HB2 LEU 38 HB2 LEU 38 6.192 0.884 19.818 297 HB3 LEU 38 HB3 LEU 38 7.260 1.635 21.003 298 HG LEU 38 HG LEU 38 4.974 2.729 20.454 299 HD11 LEU 38 HD11 LEU 38 5.805 4.480 21.549 300 HD12 LEU 38 HD12 LEU 38 6.937 4.859 20.250 301 HD13 LEU 38 HD13 LEU 38 7.363 3.659 21.469 302 HD21 LEU 38 HD21 LEU 38 5.809 2.660 17.917 303 HD22 LEU 38 HD22 LEU 38 6.433 4.244 18.374 304 HD23 LEU 38 HD23 LEU 38 4.711 3.897 18.530 305 H GLN 39 H GLN 39 9.615 2.339 20.819 306 HA GLN 39 HA GLN 39 9.787 5.124 20.438 307 HB2 GLN 39 HB2 GLN 39 10.629 3.381 22.366 308 HB3 GLN 39 HB3 GLN 39 12.153 3.829 21.611 309 HG2 GLN 39 HG2 GLN 39 10.203 5.939 22.424 310 HG3 GLN 39 HG3 GLN 39 11.262 5.193 23.619 311 HE21 GLN 39 HE21 GLN 39 13.473 5.551 23.514 312 HE22 GLN 39 HE22 GLN 39 14.158 6.817 22.560 313 H LEU 40 H LEU 40 12.038 2.519 19.526 314 HA LEU 40 HA LEU 40 13.921 4.146 18.238 315 HB2 LEU 40 HB2 LEU 40 13.769 1.519 18.856 316 HB3 LEU 40 HB3 LEU 40 13.491 1.455 17.117 317 HG LEU 40 HG LEU 40 15.918 2.553 18.531 318 HD11 LEU 40 HD11 LEU 40 17.090 0.749 17.439 319 HD12 LEU 40 HD12 LEU 40 15.607 0.230 16.636 320 HD13 LEU 40 HD13 LEU 40 15.753 0.097 18.389 321 HD21 LEU 40 HD21 LEU 40 15.109 2.632 15.635 322 HD22 LEU 40 HD22 LEU 40 16.784 2.790 16.165 323 HD23 LEU 40 HD23 LEU 40 15.582 3.975 16.676 324 H ILE 41 H ILE 41 11.236 2.252 16.862 325 HA ILE 41 HA ILE 41 11.607 3.075 14.201 326 HB ILE 41 HB ILE 41 9.144 2.092 15.636 327 HG12 ILE 41 HG12 ILE 41 11.031 0.502 15.373 328 HG13 ILE 41 HG13 ILE 41 9.600 0.005 14.477 329 HG21 ILE 41 HG21 ILE 41 9.539 2.777 12.736 330 HG22 ILE 41 HG22 ILE 41 8.273 1.685 13.295 331 HG23 ILE 41 HG23 ILE 41 8.293 3.363 13.837 332 HD11 ILE 41 HD11 ILE 41 11.592 -0.366 13.168 333 HD12 ILE 41 HD12 ILE 41 10.604 0.892 12.423 334 HD13 ILE 41 HD13 ILE 41 12.048 1.330 13.336 335 H PHE 42 H PHE 42 9.893 4.529 16.889 336 HA PHE 42 HA PHE 42 8.335 6.386 15.497 337 HB2 PHE 42 HB2 PHE 42 7.904 6.068 17.817 338 HB3 PHE 42 HB3 PHE 42 9.563 6.461 18.252 339 HD1 PHE 42 HD2 PHE 42 6.900 8.123 16.229 340 HD2 PHE 42 HD1 PHE 42 9.724 8.431 19.398 341 HE1 PHE 42 HE2 PHE 42 6.246 10.470 16.579 342 HE2 PHE 42 HE1 PHE 42 9.074 10.778 19.753 343 HZ PHE 42 HZ PHE 42 7.334 11.800 18.342 344 H LYS 43 H LYS 43 11.577 6.786 16.914 345 HA LYS 43 HA LYS 43 11.933 9.408 15.850 346 HB2 LYS 43 HB2 LYS 43 13.213 7.852 17.752 347 HB3 LYS 43 HB3 LYS 43 14.396 7.963 16.454 348 HG2 LYS 43 HG2 LYS 43 14.517 10.293 16.609 349 HG3 LYS 43 HG3 LYS 43 13.021 10.396 17.540 350 HD2 LYS 43 HD2 LYS 43 14.770 10.747 19.088 351 HD3 LYS 43 HD3 LYS 43 14.224 9.090 19.351 352 HE2 LYS 43 HE2 LYS 43 16.428 9.523 17.412 353 HE3 LYS 43 HE3 LYS 43 16.797 9.727 19.123 354 HZ1 LYS 43 HZ1 LYS 43 15.708 7.470 19.414 355 HZ2 LYS 43 HZ2 LYS 43 17.227 7.493 18.671 356 HZ3 LYS 43 HZ3 LYS 43 15.830 7.302 17.735 357 H SER 44 H SER 44 12.656 6.175 14.742 358 HA SER 44 HA SER 44 14.477 6.881 12.691 359 HB2 SER 44 HB2 SER 44 12.765 4.464 13.221 360 HB3 SER 44 HB3 SER 44 13.702 4.598 11.733 361 HG SER 44 HG SER 44 15.571 4.692 12.938 362 H ILE 45 H ILE 45 10.992 6.160 12.621 363 HA ILE 45 HA ILE 45 10.661 6.691 9.863 364 HB ILE 45 HB ILE 45 8.648 6.719 12.112 365 HG12 ILE 45 HG12 ILE 45 9.320 4.652 10.006 366 HG13 ILE 45 HG13 ILE 45 9.688 4.540 11.724 367 HG21 ILE 45 HG21 ILE 45 8.211 6.831 9.132 368 HG22 ILE 45 HG22 ILE 45 6.946 6.549 10.327 369 HG23 ILE 45 HG23 ILE 45 7.813 8.084 10.306 370 HD11 ILE 45 HD11 ILE 45 6.958 4.547 10.463 371 HD12 ILE 45 HD12 ILE 45 7.779 3.181 11.220 372 HD13 ILE 45 HD13 ILE 45 7.267 4.556 12.199 373 H ASP 46 H ASP 46 10.492 8.707 12.733 374 HA ASP 46 HA ASP 46 9.466 10.991 11.303 375 HB2 ASP 46 HB2 ASP 46 9.262 10.321 13.867 376 HB3 ASP 46 HB3 ASP 46 10.741 11.271 13.984 377 H ALA 47 H ALA 47 10.652 12.309 10.104 378 HA ALA 47 HA ALA 47 13.456 12.098 9.871 379 HB1 ALA 47 HB1 ALA 47 11.755 12.962 8.158 380 HB2 ALA 47 HB2 ALA 47 11.902 14.508 8.993 381 HB3 ALA 47 HB3 ALA 47 13.320 13.771 8.249 382 H ASP 48 H ASP 48 11.372 14.390 11.576 383 HA ASP 48 HA ASP 48 13.771 15.615 12.764 384 HB2 ASP 48 HB2 ASP 48 12.282 17.519 13.339 385 HB3 ASP 48 HB3 ASP 48 12.382 17.230 11.605 386 H GLY 49 H GLY 49 11.096 13.612 13.400 387 HA2 GLY 49 HA2 GLY 49 10.308 12.630 15.319 388 HA3 GLY 49 HA3 GLY 49 11.882 12.996 16.010 389 H ASN 50 H ASN 50 9.636 15.423 14.832 390 HA ASN 50 HA ASN 50 9.652 16.690 17.435 391 HB2 ASN 50 HB2 ASN 50 8.415 18.507 16.293 392 HB3 ASN 50 HB3 ASN 50 9.913 18.093 15.462 393 HD21 ASN 50 HD21 ASN 50 7.925 19.472 14.188 394 HD22 ASN 50 HD22 ASN 50 7.213 18.473 12.971 395 H GLY 51 H GLY 51 8.467 15.021 18.565 396 HA2 GLY 51 HA2 GLY 51 6.542 14.330 19.616 397 HA3 GLY 51 HA3 GLY 51 5.699 15.625 18.778 398 H GLU 52 H GLU 52 6.065 14.909 16.142 399 HA GLU 52 HA GLU 52 5.213 12.157 15.812 400 HB2 GLU 52 HB2 GLU 52 3.178 12.994 14.467 401 HB3 GLU 52 HB3 GLU 52 3.064 12.972 16.222 402 HG2 GLU 52 HG2 GLU 52 2.160 15.020 15.086 403 HG3 GLU 52 HG3 GLU 52 3.332 15.307 16.370 404 H ILE 53 H ILE 53 4.885 11.623 13.478 405 HA ILE 53 HA ILE 53 6.931 12.984 11.907 406 HB ILE 53 HB ILE 53 5.416 10.537 11.039 407 HG12 ILE 53 HG12 ILE 53 7.866 9.697 12.098 408 HG13 ILE 53 HG13 ILE 53 7.214 10.805 13.299 409 HG21 ILE 53 HG21 ILE 53 6.682 11.142 9.249 410 HG22 ILE 53 HG22 ILE 53 7.893 11.954 10.239 411 HG23 ILE 53 HG23 ILE 53 7.887 10.195 10.120 412 HD11 ILE 53 HD11 ILE 53 5.189 8.989 12.346 413 HD12 ILE 53 HD12 ILE 53 6.589 8.126 12.983 414 HD13 ILE 53 HD13 ILE 53 5.745 9.302 13.991 415 H ASP 54 H ASP 54 6.415 14.490 10.477 416 HA ASP 54 HA ASP 54 3.682 14.961 9.720 417 HB2 ASP 54 HB2 ASP 54 6.209 16.294 8.721 418 HB3 ASP 54 HB3 ASP 54 4.564 16.884 8.499 419 H GLN 55 H GLN 55 2.986 15.178 7.470 420 HA GLN 55 HA GLN 55 3.317 12.857 5.997 421 HB2 GLN 55 HB2 GLN 55 2.304 14.146 4.102 422 HB3 GLN 55 HB3 GLN 55 1.406 14.244 5.611 423 HG2 GLN 55 HG2 GLN 55 2.523 16.436 6.039 424 HG3 GLN 55 HG3 GLN 55 3.200 16.339 4.415 425 HE21 GLN 55 HE21 GLN 55 0.359 16.867 6.309 426 HE22 GLN 55 HE22 GLN 55 -0.659 17.400 5.020 427 H ASN 56 H ASN 56 4.894 16.006 5.548 428 HA ASN 56 HA ASN 56 6.345 15.391 3.246 429 HB2 ASN 56 HB2 ASN 56 6.070 17.608 4.797 430 HB3 ASN 56 HB3 ASN 56 7.712 17.123 5.208 431 HD21 ASN 56 HD21 ASN 56 5.572 17.872 2.515 432 HD22 ASN 56 HD22 ASN 56 6.813 18.431 1.449 433 H GLU 57 H GLU 57 7.327 15.144 6.659 434 HA GLU 57 HA GLU 57 9.898 14.133 6.206 435 HB2 GLU 57 HB2 GLU 57 8.082 13.595 8.562 436 HB3 GLU 57 HB3 GLU 57 9.826 13.370 8.532 437 HG2 GLU 57 HG2 GLU 57 10.260 15.596 8.681 438 HG3 GLU 57 HG3 GLU 57 8.773 16.056 7.857 439 H PHE 58 H PHE 58 6.798 12.482 6.613 440 HA PHE 58 HA PHE 58 7.789 9.853 6.656 441 HB2 PHE 58 HB2 PHE 58 5.419 10.731 7.205 442 HB3 PHE 58 HB3 PHE 58 5.120 10.579 5.477 443 HD1 PHE 58 HD2 PHE 58 5.804 8.761 8.583 444 HD2 PHE 58 HD1 PHE 58 4.913 8.428 4.434 445 HE1 PHE 58 HE2 PHE 58 5.289 6.375 8.889 446 HE2 PHE 58 HE1 PHE 58 4.396 6.041 4.733 447 HZ PHE 58 HZ PHE 58 4.585 5.011 6.962 448 H ALA 59 H ALA 59 6.670 11.889 3.980 449 HA ALA 59 HA ALA 59 6.890 9.983 1.937 450 HB1 ALA 59 HB1 ALA 59 5.827 11.723 1.020 451 HB2 ALA 59 HB2 ALA 59 6.582 12.882 2.116 452 HB3 ALA 59 HB3 ALA 59 7.442 12.345 0.672 453 H LYS 60 H LYS 60 9.216 12.473 2.981 454 HA LYS 60 HA LYS 60 11.263 11.717 1.195 455 HB2 LYS 60 HB2 LYS 60 11.018 13.459 3.564 456 HB3 LYS 60 HB3 LYS 60 12.635 12.841 3.253 457 HG2 LYS 60 HG2 LYS 60 12.246 15.033 2.224 458 HG3 LYS 60 HG3 LYS 60 12.610 13.785 1.030 459 HD2 LYS 60 HD2 LYS 60 10.589 13.954 0.063 460 HD3 LYS 60 HD3 LYS 60 9.755 14.101 1.612 461 HE2 LYS 60 HE2 LYS 60 9.380 16.189 0.760 462 HE3 LYS 60 HE3 LYS 60 10.896 16.477 1.612 463 HZ1 LYS 60 HZ1 LYS 60 11.914 16.953 -0.286 464 HZ2 LYS 60 HZ2 LYS 60 10.399 16.961 -1.037 465 HZ3 LYS 60 HZ3 LYS 60 11.340 15.556 -1.048 466 H PHE 61 H PHE 61 10.220 10.430 4.230 467 HA PHE 61 HA PHE 61 12.662 9.013 4.787 468 HB2 PHE 61 HB2 PHE 61 11.483 9.488 6.736 469 HB3 PHE 61 HB3 PHE 61 9.927 9.100 6.009 470 HD1 PHE 61 HD1 PHE 61 13.144 7.272 6.517 471 HD2 PHE 61 HD2 PHE 61 8.915 7.300 6.990 472 HE1 PHE 61 HE1 PHE 61 13.245 5.025 7.515 473 HE2 PHE 61 HE2 PHE 61 9.007 5.055 7.989 474 HZ PHE 61 HZ PHE 61 11.174 3.914 8.255 475 H TYR 62 H TYR 62 9.598 8.324 3.231 476 HA TYR 62 HA TYR 62 9.777 5.528 3.131 477 HB2 TYR 62 HB2 TYR 62 7.706 6.685 2.608 478 HB3 TYR 62 HB3 TYR 62 8.452 7.454 1.212 479 HD1 TYR 62 HD2 TYR 62 7.760 4.047 2.581 480 HD2 TYR 62 HD1 TYR 62 8.134 6.504 -0.872 481 HE1 TYR 62 HE2 TYR 62 7.047 2.163 1.171 482 HE2 TYR 62 HE1 TYR 62 7.420 4.626 -2.292 483 HH TYR 62 HH TYR 62 7.096 1.405 -1.052 484 H GLY 63 H GLY 63 11.258 4.298 2.192 485 HA2 GLY 63 HA2 GLY 63 12.563 3.449 0.466 486 HA3 GLY 63 HA3 GLY 63 12.148 4.857 -0.502 487 H SER 64 H SER 64 13.149 5.938 2.461 488 HA SER 64 HA SER 64 15.766 6.647 1.379 489 HB2 SER 64 HB2 SER 64 14.372 8.457 2.280 490 HB3 SER 64 HB3 SER 64 14.324 7.649 3.847 491 HG SER 64 HG SER 64 16.281 9.201 2.740 492 H ILE 65 H ILE 65 15.080 3.952 2.467 493 HA ILE 65 HA ILE 65 16.741 3.795 4.858 494 HB ILE 65 HB ILE 65 15.495 1.439 3.474 495 HG12 ILE 65 HG12 ILE 65 13.697 2.010 5.418 496 HG13 ILE 65 HG13 ILE 65 14.164 3.638 4.940 497 HG21 ILE 65 HG21 ILE 65 16.984 1.864 5.866 498 HG22 ILE 65 HG22 ILE 65 15.365 1.310 6.292 499 HG23 ILE 65 HG23 ILE 65 16.365 0.353 5.200 500 HD11 ILE 65 HD11 ILE 65 12.364 1.855 3.668 501 HD12 ILE 65 HD12 ILE 65 12.786 3.510 3.223 502 HD13 ILE 65 HD13 ILE 65 13.717 2.158 2.578 503 H GLN 66 H GLN 66 17.642 4.283 1.946 504 HA GLN 66 HA GLN 66 19.146 2.068 1.095 505 HB2 GLN 66 HB2 GLN 66 19.610 5.016 0.617 506 HB3 GLN 66 HB3 GLN 66 20.424 3.720 -0.250 507 HG2 GLN 66 HG2 GLN 66 18.297 2.959 -1.144 508 HG3 GLN 66 HG3 GLN 66 17.456 4.219 -0.243 509 HE21 GLN 66 HE21 GLN 66 18.999 6.394 -0.636 510 HE22 GLN 66 HE22 GLN 66 19.048 6.809 -2.313 Start of MODEL 4 1 H1 MET 1 H MET 1 -0.137 4.181 -3.982 2 HA MET 1 HA MET 1 -1.108 3.998 -1.582 3 HB2 MET 1 HB2 MET 1 -0.535 1.137 -2.368 4 HB3 MET 1 HB3 MET 1 -0.827 1.671 -0.718 5 HG2 MET 1 HG2 MET 1 -3.053 1.970 -1.056 6 HG3 MET 1 HG3 MET 1 -2.855 2.357 -2.763 7 HE1 MET 1 HE1 MET 1 -2.795 -0.991 -4.552 8 HE2 MET 1 HE2 MET 1 -3.005 0.757 -4.661 9 HE3 MET 1 HE3 MET 1 -1.440 0.082 -4.200 10 H ALA 2 H ALA 2 0.794 5.387 -1.746 11 HA ALA 2 HA ALA 2 3.275 3.945 -1.069 12 HB1 ALA 2 HB1 ALA 2 3.574 5.030 -3.180 13 HB2 ALA 2 HB2 ALA 2 2.940 6.549 -2.546 14 HB3 ALA 2 HB3 ALA 2 4.487 5.929 -1.967 15 H GLU 3 H GLU 3 2.145 7.315 -0.788 16 HA GLU 3 HA GLU 3 2.962 7.245 2.040 17 HB2 GLU 3 HB2 GLU 3 3.263 9.680 1.865 18 HB3 GLU 3 HB3 GLU 3 4.273 8.813 0.717 19 HG2 GLU 3 HG2 GLU 3 1.661 9.599 -0.337 20 HG3 GLU 3 HG3 GLU 3 2.700 10.947 0.123 21 H ALA 4 H ALA 4 0.355 7.753 -0.140 22 HA ALA 4 HA ALA 4 -1.366 9.393 1.264 23 HB1 ALA 4 HB1 ALA 4 -2.455 6.981 -0.115 24 HB2 ALA 4 HB2 ALA 4 -3.043 8.643 -0.124 25 HB3 ALA 4 HB3 ALA 4 -1.607 8.212 -1.052 26 H LEU 5 H LEU 5 -0.419 6.124 1.941 27 HA LEU 5 HA LEU 5 -2.555 5.329 3.577 28 HB2 LEU 5 HB2 LEU 5 0.265 4.499 4.127 29 HB3 LEU 5 HB3 LEU 5 -1.217 3.555 4.256 30 HG LEU 5 HG LEU 5 0.251 4.322 1.738 31 HD11 LEU 5 HD11 LEU 5 -0.042 1.860 3.364 32 HD12 LEU 5 HD12 LEU 5 1.337 2.455 2.440 33 HD13 LEU 5 HD13 LEU 5 -0.013 1.685 1.609 34 HD21 LEU 5 HD21 LEU 5 -1.752 2.558 1.048 35 HD22 LEU 5 HD22 LEU 5 -1.736 4.292 0.727 36 HD23 LEU 5 HD23 LEU 5 -2.549 3.668 2.163 37 H PHE 6 H PHE 6 0.397 7.128 4.289 38 HA PHE 6 HA PHE 6 0.175 7.153 7.085 39 HB2 PHE 6 HB2 PHE 6 2.252 7.849 6.286 40 HB3 PHE 6 HB3 PHE 6 1.542 8.923 5.086 41 HD1 PHE 6 HD1 PHE 6 0.533 11.079 5.820 42 HD2 PHE 6 HD2 PHE 6 2.788 8.608 8.451 43 HE1 PHE 6 HE1 PHE 6 0.830 12.984 7.349 44 HE2 PHE 6 HE2 PHE 6 3.089 10.509 9.983 45 HZ PHE 6 HZ PHE 6 2.109 12.701 9.434 46 H LYS 7 H LYS 7 -0.983 9.467 4.651 47 HA LYS 7 HA LYS 7 -2.215 11.183 6.578 48 HB2 LYS 7 HB2 LYS 7 -2.494 10.987 3.576 49 HB3 LYS 7 HB3 LYS 7 -3.275 12.225 4.552 50 HG2 LYS 7 HG2 LYS 7 -1.006 12.908 5.350 51 HG3 LYS 7 HG3 LYS 7 -0.324 11.795 4.160 52 HD2 LYS 7 HD2 LYS 7 -0.834 13.142 2.415 53 HD3 LYS 7 HD3 LYS 7 -2.348 13.685 3.142 54 HE2 LYS 7 HE2 LYS 7 -0.617 14.845 4.823 55 HE3 LYS 7 HE3 LYS 7 0.387 14.795 3.375 56 HZ1 LYS 7 HZ1 LYS 7 -1.524 16.666 3.974 57 HZ2 LYS 7 HZ2 LYS 7 -2.246 15.702 2.788 58 HZ3 LYS 7 HZ3 LYS 7 -0.761 16.450 2.479 59 H GLU 8 H GLU 8 -3.189 8.372 4.792 60 HA GLU 8 HA GLU 8 -5.992 8.716 4.976 61 HB2 GLU 8 HB2 GLU 8 -4.811 7.119 3.443 62 HB3 GLU 8 HB3 GLU 8 -4.477 6.106 4.841 63 HG2 GLU 8 HG2 GLU 8 -7.025 6.136 5.200 64 HG3 GLU 8 HG3 GLU 8 -7.098 6.698 3.532 65 H ILE 9 H ILE 9 -3.621 7.114 7.055 66 HA ILE 9 HA ILE 9 -5.506 6.043 8.883 67 HB ILE 9 HB ILE 9 -2.574 6.665 9.243 68 HG12 ILE 9 HG12 ILE 9 -3.131 4.965 7.521 69 HG13 ILE 9 HG13 ILE 9 -2.242 4.286 8.881 70 HG21 ILE 9 HG21 ILE 9 -3.502 6.615 11.418 71 HG22 ILE 9 HG22 ILE 9 -4.517 5.227 11.030 72 HG23 ILE 9 HG23 ILE 9 -2.770 5.032 11.158 73 HD11 ILE 9 HD11 ILE 9 -5.220 4.106 8.485 74 HD12 ILE 9 HD12 ILE 9 -4.055 2.830 8.134 75 HD13 ILE 9 HD13 ILE 9 -4.290 3.376 9.794 76 H ASP 10 H ASP 10 -4.119 9.174 8.472 77 HA ASP 10 HA ASP 10 -4.633 10.085 11.151 78 HB2 ASP 10 HB2 ASP 10 -3.570 11.262 8.645 79 HB3 ASP 10 HB3 ASP 10 -4.343 12.379 9.767 80 H VAL 11 H VAL 11 -6.888 9.377 11.220 81 HA VAL 11 HA VAL 11 -8.910 10.378 9.571 82 HB VAL 11 HB VAL 11 -9.208 9.746 12.508 83 HG11 VAL 11 HG11 VAL 11 -11.447 8.859 11.238 84 HG12 VAL 11 HG12 VAL 11 -11.297 10.421 12.043 85 HG13 VAL 11 HG13 VAL 11 -11.055 10.299 10.300 86 HG21 VAL 11 HG21 VAL 11 -9.908 7.456 11.491 87 HG22 VAL 11 HG22 VAL 11 -8.910 7.961 10.127 88 HG23 VAL 11 HG23 VAL 11 -8.199 7.814 11.735 89 H ASN 12 H ASN 12 -7.056 11.922 12.011 90 HA ASN 12 HA ASN 12 -8.973 14.023 12.526 91 HB2 ASN 12 HB2 ASN 12 -6.940 15.046 13.736 92 HB3 ASN 12 HB3 ASN 12 -7.614 13.553 14.385 93 HD21 ASN 12 HD21 ASN 12 -5.600 13.184 15.404 94 HD22 ASN 12 HD22 ASN 12 -4.258 12.559 14.512 95 H GLY 13 H GLY 13 -7.077 13.328 9.951 96 HA2 GLY 13 HA2 GLY 13 -6.185 14.542 8.214 97 HA3 GLY 13 HA3 GLY 13 -7.472 15.682 8.578 98 H ASP 14 H ASP 14 -4.596 14.766 10.452 99 HA ASP 14 HA ASP 14 -3.893 17.615 10.585 100 HB2 ASP 14 HB2 ASP 14 -2.481 16.921 12.539 101 HB3 ASP 14 HB3 ASP 14 -4.208 16.654 12.763 102 H GLY 15 H GLY 15 -2.933 14.647 9.224 103 HA2 GLY 15 HA2 GLY 15 -1.179 14.120 7.834 104 HA3 GLY 15 HA3 GLY 15 -0.763 15.827 7.827 105 H ALA 16 H ALA 16 -0.973 14.295 10.894 106 HA ALA 16 HA ALA 16 1.940 13.909 10.972 107 HB1 ALA 16 HB1 ALA 16 1.420 14.832 13.486 108 HB2 ALA 16 HB2 ALA 16 2.079 15.799 12.166 109 HB3 ALA 16 HB3 ALA 16 0.348 15.829 12.502 110 H VAL 17 H VAL 17 2.612 12.139 12.059 111 HA VAL 17 HA VAL 17 0.595 10.636 13.597 112 HB VAL 17 HB VAL 17 2.663 9.562 11.679 113 HG11 VAL 17 HG11 VAL 17 1.794 8.385 14.085 114 HG12 VAL 17 HG12 VAL 17 0.984 7.524 12.776 115 HG13 VAL 17 HG13 VAL 17 2.744 7.647 12.796 116 HG21 VAL 17 HG21 VAL 17 0.231 10.403 11.054 117 HG22 VAL 17 HG22 VAL 17 0.936 8.969 10.307 118 HG23 VAL 17 HG23 VAL 17 -0.207 8.797 11.639 119 H SER 18 H SER 18 1.155 10.644 15.666 120 HA SER 18 HA SER 18 3.918 10.965 16.468 121 HB2 SER 18 HB2 SER 18 2.402 10.489 18.763 122 HB3 SER 18 HB3 SER 18 2.869 12.064 18.123 123 HG SER 18 HG SER 18 0.611 11.908 18.407 124 H TYR 19 H TYR 19 4.541 9.561 18.490 125 HA TYR 19 HA TYR 19 5.134 7.016 17.653 126 HB2 TYR 19 HB2 TYR 19 5.601 6.490 20.025 127 HB3 TYR 19 HB3 TYR 19 6.257 8.052 19.546 128 HD1 TYR 19 HD2 TYR 19 5.090 10.144 20.269 129 HD2 TYR 19 HD1 TYR 19 3.989 6.313 21.757 130 HE1 TYR 19 HE2 TYR 19 3.914 11.216 22.143 131 HE2 TYR 19 HE1 TYR 19 2.809 7.375 23.635 132 HH TYR 19 HH TYR 19 2.424 9.297 24.718 133 H GLU 20 H GLU 20 2.395 8.033 19.669 134 HA GLU 20 HA GLU 20 1.318 5.486 20.123 135 HB2 GLU 20 HB2 GLU 20 0.490 8.246 20.490 136 HB3 GLU 20 HB3 GLU 20 -0.860 7.222 20.023 137 HG2 GLU 20 HG2 GLU 20 0.112 5.652 21.893 138 HG3 GLU 20 HG3 GLU 20 0.807 7.163 22.480 139 H GLU 21 H GLU 21 0.569 7.885 17.607 140 HA GLU 21 HA GLU 21 -1.447 6.467 16.305 141 HB2 GLU 21 HB2 GLU 21 0.461 8.614 15.507 142 HB3 GLU 21 HB3 GLU 21 -0.431 7.791 14.236 143 HG2 GLU 21 HG2 GLU 21 -2.320 8.414 16.200 144 HG3 GLU 21 HG3 GLU 21 -1.300 9.843 16.040 145 H VAL 22 H VAL 22 2.053 6.257 16.014 146 HA VAL 22 HA VAL 22 2.136 4.626 13.712 147 HB VAL 22 HB VAL 22 4.109 4.975 15.968 148 HG11 VAL 22 HG11 VAL 22 5.036 3.066 15.254 149 HG12 VAL 22 HG12 VAL 22 4.070 3.041 13.778 150 HG13 VAL 22 HG13 VAL 22 5.546 4.004 13.851 151 HG21 VAL 22 HG21 VAL 22 5.292 6.398 14.476 152 HG22 VAL 22 HG22 VAL 22 4.263 5.939 13.119 153 HG23 VAL 22 HG23 VAL 22 3.604 6.907 14.437 154 H LYS 23 H LYS 23 2.477 3.766 17.157 155 HA LYS 23 HA LYS 23 2.619 1.009 16.846 156 HB2 LYS 23 HB2 LYS 23 2.199 2.873 19.013 157 HB3 LYS 23 HB3 LYS 23 1.195 1.445 19.227 158 HG2 LYS 23 HG2 LYS 23 4.101 1.168 18.580 159 HG3 LYS 23 HG3 LYS 23 3.571 1.485 20.234 160 HD2 LYS 23 HD2 LYS 23 2.526 -0.786 18.549 161 HD3 LYS 23 HD3 LYS 23 3.887 -0.940 19.661 162 HE2 LYS 23 HE2 LYS 23 1.486 0.291 20.817 163 HE3 LYS 23 HE3 LYS 23 1.283 -1.387 20.314 164 HZ1 LYS 23 HZ1 LYS 23 3.426 -1.795 21.601 165 HZ2 LYS 23 HZ2 LYS 23 2.021 -1.519 22.501 166 HZ3 LYS 23 HZ3 LYS 23 3.160 -0.282 22.310 167 H ALA 24 H ALA 24 -0.190 3.127 17.014 168 HA ALA 24 HA ALA 24 -2.134 1.064 17.183 169 HB1 ALA 24 HB1 ALA 24 -2.108 3.945 16.979 170 HB2 ALA 24 HB2 ALA 24 -3.373 3.238 15.974 171 HB3 ALA 24 HB3 ALA 24 -3.314 2.876 17.698 172 H PHE 25 H PHE 25 -0.739 2.878 14.480 173 HA PHE 25 HA PHE 25 -2.353 2.016 12.416 174 HB2 PHE 25 HB2 PHE 25 -0.512 3.704 12.241 175 HB3 PHE 25 HB3 PHE 25 0.644 2.376 12.244 176 HD1 PHE 25 HD1 PHE 25 -2.335 1.451 10.589 177 HD2 PHE 25 HD2 PHE 25 1.298 3.606 10.062 178 HE1 PHE 25 HE1 PHE 25 -2.569 1.244 8.148 179 HE2 PHE 25 HE2 PHE 25 1.068 3.403 7.621 180 HZ PHE 25 HZ PHE 25 -0.868 2.222 6.661 181 H VAL 26 H VAL 26 0.623 0.464 13.605 182 HA VAL 26 HA VAL 26 0.412 -1.788 11.885 183 HB VAL 26 HB VAL 26 2.439 -0.828 13.335 184 HG11 VAL 26 HG11 VAL 26 1.557 -3.200 14.967 185 HG12 VAL 26 HG12 VAL 26 2.919 -2.119 15.270 186 HG13 VAL 26 HG13 VAL 26 1.267 -1.530 15.451 187 HG21 VAL 26 HG21 VAL 26 2.257 -2.704 11.536 188 HG22 VAL 26 HG22 VAL 26 3.670 -2.634 12.589 189 HG23 VAL 26 HG23 VAL 26 2.377 -3.787 12.923 190 H SER 27 H SER 27 -0.845 -1.022 15.043 191 HA SER 27 HA SER 27 -1.423 -3.598 15.971 192 HB2 SER 27 HB2 SER 27 -2.210 -0.862 16.643 193 HB3 SER 27 HB3 SER 27 -3.481 -2.042 16.963 194 HG SER 27 HG SER 27 -0.799 -2.308 17.850 195 H LYS 28 H LYS 28 -2.908 -1.685 13.517 196 HA LYS 28 HA LYS 28 -5.444 -2.996 13.509 197 HB2 LYS 28 HB2 LYS 28 -4.032 -1.023 11.819 198 HB3 LYS 28 HB3 LYS 28 -5.241 -2.002 10.998 199 HG2 LYS 28 HG2 LYS 28 -6.128 0.136 11.838 200 HG3 LYS 28 HG3 LYS 28 -6.948 -1.269 12.525 201 HD2 LYS 28 HD2 LYS 28 -5.561 -1.067 14.546 202 HD3 LYS 28 HD3 LYS 28 -4.785 0.362 13.859 203 HE2 LYS 28 HE2 LYS 28 -7.719 0.065 14.498 204 HE3 LYS 28 HE3 LYS 28 -6.542 0.977 15.441 205 HZ1 LYS 28 HZ1 LYS 28 -6.961 2.716 14.163 206 HZ2 LYS 28 HZ2 LYS 28 -8.022 1.815 13.202 207 HZ3 LYS 28 HZ3 LYS 28 -6.377 1.878 12.814 208 H LYS 29 H LYS 29 -2.391 -4.028 12.654 209 HA LYS 29 HA LYS 29 -3.414 -5.910 10.640 210 HB2 LYS 29 HB2 LYS 29 -0.508 -5.461 11.275 211 HB3 LYS 29 HB3 LYS 29 -1.217 -6.143 9.817 212 HG2 LYS 29 HG2 LYS 29 -1.290 -3.268 10.699 213 HG3 LYS 29 HG3 LYS 29 -0.409 -3.947 9.329 214 HD2 LYS 29 HD2 LYS 29 -3.411 -3.883 9.642 215 HD3 LYS 29 HD3 LYS 29 -2.459 -2.812 8.610 216 HE2 LYS 29 HE2 LYS 29 -1.684 -4.751 7.327 217 HE3 LYS 29 HE3 LYS 29 -2.643 -5.814 8.356 218 HZ1 LYS 29 HZ1 LYS 29 -3.800 -5.347 6.305 219 HZ2 LYS 29 HZ2 LYS 29 -3.703 -3.681 6.581 220 HZ3 LYS 29 HZ3 LYS 29 -4.639 -4.653 7.601 221 H ARG 30 H ARG 30 -2.095 -5.648 13.824 222 HA ARG 30 HA ARG 30 -2.837 -8.259 14.550 223 HB2 ARG 30 HB2 ARG 30 -0.549 -9.190 14.958 224 HB3 ARG 30 HB3 ARG 30 -0.980 -9.045 13.259 225 HG2 ARG 30 HG2 ARG 30 0.255 -6.642 13.824 226 HG3 ARG 30 HG3 ARG 30 1.192 -7.826 14.736 227 HD2 ARG 30 HD2 ARG 30 0.637 -7.763 11.782 228 HD3 ARG 30 HD3 ARG 30 2.197 -7.686 12.599 229 HE ARG 30 HE ARG 30 1.208 -10.091 13.355 230 HH11 ARG 30 HH11 ARG 30 1.690 -8.548 10.272 231 HH12 ARG 30 HH12 ARG 30 1.958 -10.034 9.423 232 HH21 ARG 30 HH21 ARG 30 1.557 -12.056 12.249 233 HH22 ARG 30 HH22 ARG 30 1.881 -12.029 10.548 234 H ALA 31 H ALA 31 -1.331 -8.847 16.672 235 HA ALA 31 HA ALA 31 -1.433 -6.399 18.314 236 HB1 ALA 31 HB1 ALA 31 -2.904 -7.509 19.559 237 HB2 ALA 31 HB2 ALA 31 -2.604 -9.015 18.692 238 HB3 ALA 31 HB3 ALA 31 -1.578 -8.562 20.053 239 H ILE 32 H ILE 32 0.696 -5.782 18.185 240 HA ILE 32 HA ILE 32 2.613 -7.587 19.490 241 HB ILE 32 HB ILE 32 4.384 -6.604 17.958 242 HG12 ILE 32 HG12 ILE 32 2.409 -6.198 15.827 243 HG13 ILE 32 HG13 ILE 32 2.319 -4.994 17.109 244 HG21 ILE 32 HG21 ILE 32 2.288 -8.564 17.158 245 HG22 ILE 32 HG22 ILE 32 3.536 -8.121 15.995 246 HG23 ILE 32 HG23 ILE 32 3.989 -8.826 17.546 247 HD11 ILE 32 HD11 ILE 32 4.066 -3.940 16.268 248 HD12 ILE 32 HD12 ILE 32 5.049 -5.398 16.401 249 HD13 ILE 32 HD13 ILE 32 4.103 -5.102 14.943 250 H LYS 33 H LYS 33 2.809 -6.570 21.406 251 HA LYS 33 HA LYS 33 2.970 -3.685 21.568 252 HB2 LYS 33 HB2 LYS 33 3.248 -4.128 24.022 253 HB3 LYS 33 HB3 LYS 33 1.766 -4.771 23.326 254 HG2 LYS 33 HG2 LYS 33 2.278 -6.820 23.991 255 HG3 LYS 33 HG3 LYS 33 3.850 -6.740 23.193 256 HD2 LYS 33 HD2 LYS 33 4.931 -6.293 25.112 257 HD3 LYS 33 HD3 LYS 33 3.676 -5.185 25.671 258 HE2 LYS 33 HE2 LYS 33 2.294 -7.357 26.032 259 HE3 LYS 33 HE3 LYS 33 3.866 -8.155 25.985 260 HZ1 LYS 33 HZ1 LYS 33 4.251 -7.524 28.058 261 HZ2 LYS 33 HZ2 LYS 33 2.686 -6.889 28.145 262 HZ3 LYS 33 HZ3 LYS 33 3.976 -5.898 27.681 263 H ASN 34 H ASN 34 4.830 -2.828 20.854 264 HA ASN 34 HA ASN 34 7.337 -3.923 21.951 265 HB2 ASN 34 HB2 ASN 34 6.866 -2.711 19.220 266 HB3 ASN 34 HB3 ASN 34 8.453 -3.109 19.870 267 HD21 ASN 34 HD21 ASN 34 9.094 -5.231 19.993 268 HD22 ASN 34 HD22 ASN 34 8.227 -6.518 19.233 269 H GLU 35 H GLU 35 7.736 -2.543 23.594 270 HA GLU 35 HA GLU 35 7.206 0.265 23.431 271 HB2 GLU 35 HB2 GLU 35 7.676 -1.550 25.482 272 HB3 GLU 35 HB3 GLU 35 9.097 -0.515 25.504 273 HG2 GLU 35 HG2 GLU 35 6.229 0.227 25.917 274 HG3 GLU 35 HG3 GLU 35 7.609 0.499 26.979 275 H GLN 36 H GLN 36 10.110 -1.751 23.257 276 HA GLN 36 HA GLN 36 11.914 0.445 23.012 277 HB2 GLN 36 HB2 GLN 36 12.840 -1.565 23.840 278 HB3 GLN 36 HB3 GLN 36 12.164 -2.515 22.523 279 HG2 GLN 36 HG2 GLN 36 13.922 -2.148 21.214 280 HG3 GLN 36 HG3 GLN 36 13.955 -0.427 21.592 281 HE21 GLN 36 HE21 GLN 36 14.551 -3.496 23.279 282 HE22 GLN 36 HE22 GLN 36 16.032 -2.999 24.018 283 H LEU 37 H LEU 37 10.565 -1.879 20.681 284 HA LEU 37 HA LEU 37 11.822 -0.843 18.401 285 HB2 LEU 37 HB2 LEU 37 10.467 -3.025 18.758 286 HB3 LEU 37 HB3 LEU 37 9.078 -2.035 18.312 287 HG LEU 37 HG LEU 37 10.482 -1.479 16.195 288 HD11 LEU 37 HD11 LEU 37 12.566 -2.384 16.562 289 HD12 LEU 37 HD12 LEU 37 11.792 -3.654 15.618 290 HD13 LEU 37 HD13 LEU 37 11.924 -3.815 17.368 291 HD21 LEU 37 HD21 LEU 37 8.484 -2.614 15.864 292 HD22 LEU 37 HD22 LEU 37 9.008 -4.015 16.800 293 HD23 LEU 37 HD23 LEU 37 9.682 -3.722 15.196 294 H LEU 38 H LEU 38 8.782 0.005 19.975 295 HA LEU 38 HA LEU 38 7.797 1.732 17.986 296 HB2 LEU 38 HB2 LEU 38 6.365 0.916 19.734 297 HB3 LEU 38 HB3 LEU 38 7.360 1.692 20.966 298 HG LEU 38 HG LEU 38 5.093 2.752 20.293 299 HD11 LEU 38 HD11 LEU 38 6.966 4.938 20.160 300 HD12 LEU 38 HD12 LEU 38 7.468 3.742 21.355 301 HD13 LEU 38 HD13 LEU 38 5.867 4.474 21.459 302 HD21 LEU 38 HD21 LEU 38 4.909 3.896 18.346 303 HD22 LEU 38 HD22 LEU 38 6.046 2.663 17.799 304 HD23 LEU 38 HD23 LEU 38 6.634 4.260 18.267 305 H GLN 39 H GLN 39 9.738 2.384 20.890 306 HA GLN 39 HA GLN 39 9.903 5.170 20.548 307 HB2 GLN 39 HB2 GLN 39 10.932 3.226 22.347 308 HB3 GLN 39 HB3 GLN 39 12.288 4.194 21.782 309 HG2 GLN 39 HG2 GLN 39 9.928 5.751 22.534 310 HG3 GLN 39 HG3 GLN 39 10.658 4.839 23.856 311 HE21 GLN 39 HE21 GLN 39 11.075 7.405 21.564 312 HE22 GLN 39 HE22 GLN 39 12.504 8.078 22.264 313 H LEU 40 H LEU 40 12.213 2.603 19.675 314 HA LEU 40 HA LEU 40 14.104 4.277 18.455 315 HB2 LEU 40 HB2 LEU 40 13.992 1.646 19.065 316 HB3 LEU 40 HB3 LEU 40 13.773 1.580 17.318 317 HG LEU 40 HG LEU 40 16.126 2.735 18.810 318 HD11 LEU 40 HD11 LEU 40 15.833 0.346 16.994 319 HD12 LEU 40 HD12 LEU 40 16.139 0.320 18.730 320 HD13 LEU 40 HD13 LEU 40 17.360 0.960 17.630 321 HD21 LEU 40 HD21 LEU 40 15.225 3.011 15.996 322 HD22 LEU 40 HD22 LEU 40 16.947 2.760 16.287 323 HD23 LEU 40 HD23 LEU 40 16.121 4.136 17.017 324 H ILE 41 H ILE 41 11.512 2.320 16.992 325 HA ILE 41 HA ILE 41 11.941 3.139 14.344 326 HB ILE 41 HB ILE 41 9.452 2.139 15.720 327 HG12 ILE 41 HG12 ILE 41 11.364 0.570 15.495 328 HG13 ILE 41 HG13 ILE 41 9.954 0.056 14.576 329 HG21 ILE 41 HG21 ILE 41 9.904 2.791 12.816 330 HG22 ILE 41 HG22 ILE 41 8.610 1.737 13.384 331 HG23 ILE 41 HG23 ILE 41 8.657 3.426 13.889 332 HD11 ILE 41 HD11 ILE 41 11.094 0.072 12.678 333 HD12 ILE 41 HD12 ILE 41 11.719 1.693 12.984 334 HD13 ILE 41 HD13 ILE 41 12.548 0.287 13.652 335 H PHE 42 H PHE 42 10.110 4.584 16.964 336 HA PHE 42 HA PHE 42 8.598 6.427 15.505 337 HB2 PHE 42 HB2 PHE 42 8.066 6.103 17.804 338 HB3 PHE 42 HB3 PHE 42 9.702 6.511 18.312 339 HD1 PHE 42 HD1 PHE 42 6.806 8.012 16.507 340 HD2 PHE 42 HD2 PHE 42 10.102 8.621 19.129 341 HE1 PHE 42 HE1 PHE 42 6.115 10.352 16.827 342 HE2 PHE 42 HE2 PHE 42 9.416 10.962 19.454 343 HZ PHE 42 HZ PHE 42 7.420 11.830 18.303 344 H LYS 43 H LYS 43 11.780 6.839 17.049 345 HA LYS 43 HA LYS 43 12.160 9.472 16.023 346 HB2 LYS 43 HB2 LYS 43 13.344 7.985 17.991 347 HB3 LYS 43 HB3 LYS 43 14.574 7.948 16.733 348 HG2 LYS 43 HG2 LYS 43 13.955 10.572 16.726 349 HG3 LYS 43 HG3 LYS 43 13.652 10.174 18.418 350 HD2 LYS 43 HD2 LYS 43 15.840 9.785 18.855 351 HD3 LYS 43 HD3 LYS 43 16.148 9.106 17.256 352 HE2 LYS 43 HE2 LYS 43 15.724 12.041 17.791 353 HE3 LYS 43 HE3 LYS 43 17.309 11.274 17.716 354 HZ1 LYS 43 HZ1 LYS 43 17.257 11.260 15.505 355 HZ2 LYS 43 HZ2 LYS 43 15.945 12.322 15.610 356 HZ3 LYS 43 HZ3 LYS 43 15.676 10.660 15.445 357 H SER 44 H SER 44 12.878 6.261 14.882 358 HA SER 44 HA SER 44 14.786 6.993 12.910 359 HB2 SER 44 HB2 SER 44 13.244 4.568 13.615 360 HB3 SER 44 HB3 SER 44 13.750 4.687 11.929 361 HG SER 44 HG SER 44 15.649 5.274 13.880 362 H ILE 45 H ILE 45 11.311 6.245 12.715 363 HA ILE 45 HA ILE 45 11.074 6.819 9.954 364 HB ILE 45 HB ILE 45 8.960 6.802 12.111 365 HG12 ILE 45 HG12 ILE 45 9.757 4.716 10.069 366 HG13 ILE 45 HG13 ILE 45 10.098 4.646 11.794 367 HG21 ILE 45 HG21 ILE 45 8.827 7.687 9.400 368 HG22 ILE 45 HG22 ILE 45 7.862 6.224 9.581 369 HG23 ILE 45 HG23 ILE 45 7.546 7.621 10.611 370 HD11 ILE 45 HD11 ILE 45 7.415 4.500 10.453 371 HD12 ILE 45 HD12 ILE 45 8.244 3.233 11.357 372 HD13 ILE 45 HD13 ILE 45 7.637 4.660 12.195 373 H ASP 46 H ASP 46 10.567 8.753 12.868 374 HA ASP 46 HA ASP 46 9.599 11.046 11.460 375 HB2 ASP 46 HB2 ASP 46 9.373 10.329 14.003 376 HB3 ASP 46 HB3 ASP 46 10.840 11.291 14.165 377 H ALA 47 H ALA 47 10.755 12.433 10.311 378 HA ALA 47 HA ALA 47 13.559 12.297 10.072 379 HB1 ALA 47 HB1 ALA 47 11.953 13.153 8.344 380 HB2 ALA 47 HB2 ALA 47 11.838 14.640 9.287 381 HB3 ALA 47 HB3 ALA 47 13.385 14.152 8.595 382 H ASP 48 H ASP 48 11.439 14.516 11.841 383 HA ASP 48 HA ASP 48 13.819 15.710 13.094 384 HB2 ASP 48 HB2 ASP 48 12.310 17.579 13.729 385 HB3 ASP 48 HB3 ASP 48 12.428 17.355 11.986 386 H GLY 49 H GLY 49 11.160 13.662 13.641 387 HA2 GLY 49 HA2 GLY 49 10.373 12.602 15.518 388 HA3 GLY 49 HA3 GLY 49 11.935 12.966 16.235 389 H ASN 50 H ASN 50 9.670 15.404 15.119 390 HA ASN 50 HA ASN 50 9.641 16.577 17.767 391 HB2 ASN 50 HB2 ASN 50 8.400 18.422 16.675 392 HB3 ASN 50 HB3 ASN 50 9.913 18.053 15.850 393 HD21 ASN 50 HD21 ASN 50 7.943 19.458 14.591 394 HD22 ASN 50 HD22 ASN 50 7.251 18.497 13.333 395 H GLY 51 H GLY 51 8.460 14.844 18.809 396 HA2 GLY 51 HA2 GLY 51 6.529 14.093 19.808 397 HA3 GLY 51 HA3 GLY 51 5.684 15.416 19.018 398 H GLU 52 H GLU 52 6.096 14.811 16.356 399 HA GLU 52 HA GLU 52 5.272 12.071 15.898 400 HB2 GLU 52 HB2 GLU 52 3.233 12.906 14.591 401 HB3 GLU 52 HB3 GLU 52 3.114 12.878 16.345 402 HG2 GLU 52 HG2 GLU 52 2.183 14.918 15.260 403 HG3 GLU 52 HG3 GLU 52 3.407 15.226 16.491 404 H ILE 53 H ILE 53 4.955 11.647 13.533 405 HA ILE 53 HA ILE 53 6.988 13.121 12.041 406 HB ILE 53 HB ILE 53 5.581 10.665 11.040 407 HG12 ILE 53 HG12 ILE 53 7.990 9.818 12.160 408 HG13 ILE 53 HG13 ILE 53 7.296 10.883 13.378 409 HG21 ILE 53 HG21 ILE 53 8.032 10.380 10.158 410 HG22 ILE 53 HG22 ILE 53 6.906 11.468 9.347 411 HG23 ILE 53 HG23 ILE 53 8.116 12.116 10.454 412 HD11 ILE 53 HD11 ILE 53 6.051 9.184 14.046 413 HD12 ILE 53 HD12 ILE 53 5.195 9.262 12.504 414 HD13 ILE 53 HD13 ILE 53 6.588 8.195 12.688 415 H ASP 54 H ASP 54 6.473 14.588 10.567 416 HA ASP 54 HA ASP 54 3.736 15.081 9.864 417 HB2 ASP 54 HB2 ASP 54 6.093 16.374 8.518 418 HB3 ASP 54 HB3 ASP 54 4.499 17.050 8.841 419 H GLN 55 H GLN 55 2.965 15.252 7.643 420 HA GLN 55 HA GLN 55 3.214 12.904 6.204 421 HB2 GLN 55 HB2 GLN 55 2.135 14.138 4.333 422 HB3 GLN 55 HB3 GLN 55 1.321 14.357 5.875 423 HG2 GLN 55 HG2 GLN 55 1.344 16.517 5.295 424 HG3 GLN 55 HG3 GLN 55 2.995 16.466 5.913 425 HE21 GLN 55 HE21 GLN 55 3.927 17.945 4.615 426 HE22 GLN 55 HE22 GLN 55 4.044 17.802 2.898 427 H ASN 56 H ASN 56 4.871 15.996 5.701 428 HA ASN 56 HA ASN 56 6.218 15.353 3.343 429 HB2 ASN 56 HB2 ASN 56 6.083 17.559 4.933 430 HB3 ASN 56 HB3 ASN 56 7.722 17.010 5.269 431 HD21 ASN 56 HD21 ASN 56 9.277 17.440 3.844 432 HD22 ASN 56 HD22 ASN 56 9.029 18.136 2.282 433 H GLU 57 H GLU 57 7.303 15.026 6.719 434 HA GLU 57 HA GLU 57 9.817 13.924 6.162 435 HB2 GLU 57 HB2 GLU 57 8.097 13.378 8.585 436 HB3 GLU 57 HB3 GLU 57 9.841 13.194 8.475 437 HG2 GLU 57 HG2 GLU 57 10.215 15.478 8.481 438 HG3 GLU 57 HG3 GLU 57 8.569 15.849 7.970 439 H PHE 58 H PHE 58 6.684 12.375 6.737 440 HA PHE 58 HA PHE 58 7.609 9.715 6.661 441 HB2 PHE 58 HB2 PHE 58 5.311 10.680 7.420 442 HB3 PHE 58 HB3 PHE 58 4.862 10.488 5.728 443 HD1 PHE 58 HD1 PHE 58 4.693 8.273 4.729 444 HD2 PHE 58 HD2 PHE 58 5.629 8.781 8.850 445 HE1 PHE 58 HE1 PHE 58 4.170 5.904 5.136 446 HE2 PHE 58 HE2 PHE 58 5.108 6.413 9.264 447 HZ PHE 58 HZ PHE 58 4.378 4.970 7.405 448 H ALA 59 H ALA 59 6.421 11.887 4.141 449 HA ALA 59 HA ALA 59 6.307 10.035 2.039 450 HB1 ALA 59 HB1 ALA 59 5.294 11.923 1.347 451 HB2 ALA 59 HB2 ALA 59 6.360 12.967 2.285 452 HB3 ALA 59 HB3 ALA 59 6.900 12.321 0.736 453 H LYS 60 H LYS 60 8.914 12.292 2.942 454 HA LYS 60 HA LYS 60 10.736 11.393 0.978 455 HB2 LYS 60 HB2 LYS 60 11.324 12.738 3.622 456 HB3 LYS 60 HB3 LYS 60 12.426 12.619 2.257 457 HG2 LYS 60 HG2 LYS 60 9.773 13.892 1.830 458 HG3 LYS 60 HG3 LYS 60 11.019 14.792 2.697 459 HD2 LYS 60 HD2 LYS 60 11.550 13.478 0.046 460 HD3 LYS 60 HD3 LYS 60 10.894 15.113 0.168 461 HE2 LYS 60 HE2 LYS 60 13.461 14.199 1.459 462 HE3 LYS 60 HE3 LYS 60 13.368 15.030 -0.093 463 HZ1 LYS 60 HZ1 LYS 60 12.350 16.917 1.019 464 HZ2 LYS 60 HZ2 LYS 60 13.858 16.567 1.701 465 HZ3 LYS 60 HZ3 LYS 60 12.439 16.121 2.509 466 H PHE 61 H PHE 61 9.846 10.182 4.090 467 HA PHE 61 HA PHE 61 12.206 8.564 4.432 468 HB2 PHE 61 HB2 PHE 61 11.289 9.126 6.487 469 HB3 PHE 61 HB3 PHE 61 9.635 8.924 5.921 470 HD1 PHE 61 HD1 PHE 61 12.649 6.723 6.076 471 HD2 PHE 61 HD2 PHE 61 8.537 7.257 7.037 472 HE1 PHE 61 HE1 PHE 61 12.591 4.471 7.067 473 HE2 PHE 61 HE2 PHE 61 8.473 5.007 8.030 474 HZ PHE 61 HZ PHE 61 10.502 3.611 8.046 475 H TYR 62 H TYR 62 8.933 8.131 3.238 476 HA TYR 62 HA TYR 62 8.894 5.327 3.129 477 HB2 TYR 62 HB2 TYR 62 6.841 6.534 2.874 478 HB3 TYR 62 HB3 TYR 62 7.459 7.408 1.477 479 HD1 TYR 62 HD2 TYR 62 7.587 6.337 -0.705 480 HD2 TYR 62 HD1 TYR 62 6.070 4.241 2.672 481 HE1 TYR 62 HE2 TYR 62 6.643 4.626 -2.198 482 HE2 TYR 62 HE1 TYR 62 5.123 2.523 1.189 483 HH TYR 62 HH TYR 62 5.999 1.931 -1.732 484 H GLY 63 H GLY 63 10.139 3.996 2.003 485 HA2 GLY 63 HA2 GLY 63 11.130 3.071 0.111 486 HA3 GLY 63 HA3 GLY 63 10.731 4.534 -0.780 487 H SER 64 H SER 64 12.178 5.450 2.051 488 HA SER 64 HA SER 64 14.698 5.946 0.666 489 HB2 SER 64 HB2 SER 64 13.591 7.853 1.751 490 HB3 SER 64 HB3 SER 64 13.664 7.019 3.303 491 HG SER 64 HG SER 64 15.450 8.206 3.371 492 H ILE 65 H ILE 65 13.927 3.296 1.771 493 HA ILE 65 HA ILE 65 15.816 2.935 3.963 494 HB ILE 65 HB ILE 65 13.526 1.825 3.901 495 HG12 ILE 65 HG12 ILE 65 15.734 -0.196 4.166 496 HG13 ILE 65 HG13 ILE 65 15.628 1.166 5.276 497 HG21 ILE 65 HG21 ILE 65 14.823 -0.225 2.146 498 HG22 ILE 65 HG22 ILE 65 13.117 -0.009 2.535 499 HG23 ILE 65 HG23 ILE 65 13.924 1.124 1.452 500 HD11 ILE 65 HD11 ILE 65 14.500 -0.477 6.412 501 HD12 ILE 65 HD12 ILE 65 13.181 0.364 5.599 502 HD13 ILE 65 HD13 ILE 65 13.792 -1.156 4.946 503 H GLN 66 H GLN 66 16.438 3.445 0.981 504 HA GLN 66 HA GLN 66 17.593 1.227 -0.201 505 HB2 GLN 66 HB2 GLN 66 18.803 2.718 -1.579 506 HB3 GLN 66 HB3 GLN 66 17.310 3.556 -1.175 507 HG2 GLN 66 HG2 GLN 66 18.727 4.578 0.752 508 HG3 GLN 66 HG3 GLN 66 20.093 4.094 -0.253 509 HE21 GLN 66 HE21 GLN 66 17.034 5.865 -0.371 510 HE22 GLN 66 HE22 GLN 66 17.561 7.047 -1.517 Start of MODEL 5 1 H1 MET 1 H MET 1 0.249 4.262 -4.276 2 HA MET 1 HA MET 1 -1.063 4.170 -1.927 3 HB2 MET 1 HB2 MET 1 -1.085 1.512 -3.197 4 HB3 MET 1 HB3 MET 1 -0.560 1.521 -1.518 5 HG2 MET 1 HG2 MET 1 -2.661 1.623 -0.856 6 HG3 MET 1 HG3 MET 1 -2.859 3.155 -1.703 7 HE1 MET 1 HE1 MET 1 -5.033 3.085 -3.874 8 HE2 MET 1 HE2 MET 1 -5.998 1.951 -2.929 9 HE3 MET 1 HE3 MET 1 -4.981 3.139 -2.111 10 H ALA 2 H ALA 2 0.879 5.412 -1.678 11 HA ALA 2 HA ALA 2 3.173 3.752 -0.872 12 HB1 ALA 2 HB1 ALA 2 4.133 4.644 -2.729 13 HB2 ALA 2 HB2 ALA 2 3.111 6.082 -2.705 14 HB3 ALA 2 HB3 ALA 2 4.476 5.952 -1.596 15 H GLU 3 H GLU 3 2.394 7.228 -0.758 16 HA GLU 3 HA GLU 3 3.039 7.196 2.104 17 HB2 GLU 3 HB2 GLU 3 3.311 9.622 1.894 18 HB3 GLU 3 HB3 GLU 3 4.331 8.763 0.749 19 HG2 GLU 3 HG2 GLU 3 3.326 9.680 -1.016 20 HG3 GLU 3 HG3 GLU 3 1.717 9.468 -0.330 21 H ALA 4 H ALA 4 0.452 7.604 -0.120 22 HA ALA 4 HA ALA 4 -1.323 9.238 1.221 23 HB1 ALA 4 HB1 ALA 4 -1.871 6.785 -0.441 24 HB2 ALA 4 HB2 ALA 4 -3.115 7.918 0.092 25 HB3 ALA 4 HB3 ALA 4 -1.829 8.464 -0.983 26 H LEU 5 H LEU 5 -0.328 5.998 1.984 27 HA LEU 5 HA LEU 5 -2.460 5.201 3.619 28 HB2 LEU 5 HB2 LEU 5 0.371 4.457 4.230 29 HB3 LEU 5 HB3 LEU 5 -1.089 3.480 4.367 30 HG LEU 5 HG LEU 5 0.401 4.211 1.850 31 HD11 LEU 5 HD11 LEU 5 -0.012 1.487 1.963 32 HD12 LEU 5 HD12 LEU 5 0.350 1.919 3.634 33 HD13 LEU 5 HD13 LEU 5 1.487 2.332 2.349 34 HD21 LEU 5 HD21 LEU 5 -1.694 4.251 0.978 35 HD22 LEU 5 HD22 LEU 5 -2.376 3.269 2.274 36 HD23 LEU 5 HD23 LEU 5 -1.451 2.504 0.981 37 H PHE 6 H PHE 6 0.440 7.084 4.326 38 HA PHE 6 HA PHE 6 0.155 7.185 7.120 39 HB2 PHE 6 HB2 PHE 6 2.247 7.865 6.323 40 HB3 PHE 6 HB3 PHE 6 1.544 8.930 5.109 41 HD1 PHE 6 HD1 PHE 6 0.495 11.078 5.832 42 HD2 PHE 6 HD2 PHE 6 2.776 8.645 8.476 43 HE1 PHE 6 HE1 PHE 6 0.766 12.992 7.354 44 HE2 PHE 6 HE2 PHE 6 3.050 10.554 10.003 45 HZ PHE 6 HZ PHE 6 2.043 12.731 9.444 46 H LYS 7 H LYS 7 -0.942 9.428 4.592 47 HA LYS 7 HA LYS 7 -2.228 11.200 6.420 48 HB2 LYS 7 HB2 LYS 7 -2.071 10.908 3.464 49 HB3 LYS 7 HB3 LYS 7 -3.422 11.827 4.112 50 HG2 LYS 7 HG2 LYS 7 -0.536 12.388 4.756 51 HG3 LYS 7 HG3 LYS 7 -1.452 13.202 3.485 52 HD2 LYS 7 HD2 LYS 7 -2.182 13.180 6.414 53 HD3 LYS 7 HD3 LYS 7 -1.367 14.504 5.580 54 HE2 LYS 7 HE2 LYS 7 -3.334 15.318 4.949 55 HE3 LYS 7 HE3 LYS 7 -3.679 13.821 4.085 56 HZ1 LYS 7 HZ1 LYS 7 -5.032 13.102 5.702 57 HZ2 LYS 7 HZ2 LYS 7 -5.128 14.734 6.132 58 HZ3 LYS 7 HZ3 LYS 7 -4.065 13.705 6.952 59 H GLU 8 H GLU 8 -3.160 8.301 4.757 60 HA GLU 8 HA GLU 8 -5.971 8.635 4.920 61 HB2 GLU 8 HB2 GLU 8 -4.781 7.008 3.427 62 HB3 GLU 8 HB3 GLU 8 -4.436 6.034 4.850 63 HG2 GLU 8 HG2 GLU 8 -6.914 5.915 5.240 64 HG3 GLU 8 HG3 GLU 8 -7.120 6.656 3.654 65 H ILE 9 H ILE 9 -3.587 7.095 7.032 66 HA ILE 9 HA ILE 9 -5.465 6.068 8.894 67 HB ILE 9 HB ILE 9 -2.530 6.695 9.218 68 HG12 ILE 9 HG12 ILE 9 -3.108 4.945 7.553 69 HG13 ILE 9 HG13 ILE 9 -2.205 4.309 8.923 70 HG21 ILE 9 HG21 ILE 9 -2.718 5.117 11.182 71 HG22 ILE 9 HG22 ILE 9 -3.435 6.713 11.401 72 HG23 ILE 9 HG23 ILE 9 -4.465 5.321 11.064 73 HD11 ILE 9 HD11 ILE 9 -4.032 2.834 8.232 74 HD12 ILE 9 HD12 ILE 9 -4.237 3.420 9.883 75 HD13 ILE 9 HD13 ILE 9 -5.187 4.122 8.573 76 H ASP 10 H ASP 10 -4.063 9.186 8.407 77 HA ASP 10 HA ASP 10 -4.535 10.172 11.057 78 HB2 ASP 10 HB2 ASP 10 -3.722 11.393 8.445 79 HB3 ASP 10 HB3 ASP 10 -4.262 12.439 9.756 80 H VAL 11 H VAL 11 -6.782 9.385 11.175 81 HA VAL 11 HA VAL 11 -8.866 10.347 9.579 82 HB VAL 11 HB VAL 11 -9.079 9.702 12.520 83 HG11 VAL 11 HG11 VAL 11 -11.328 8.767 11.312 84 HG12 VAL 11 HG12 VAL 11 -11.191 10.342 12.098 85 HG13 VAL 11 HG13 VAL 11 -10.989 10.206 10.350 86 HG21 VAL 11 HG21 VAL 11 -8.774 7.935 10.133 87 HG22 VAL 11 HG22 VAL 11 -8.058 7.788 11.737 88 HG23 VAL 11 HG23 VAL 11 -9.760 7.400 11.493 89 H ASN 12 H ASN 12 -7.004 11.907 12.016 90 HA ASN 12 HA ASN 12 -8.949 13.977 12.550 91 HB2 ASN 12 HB2 ASN 12 -6.930 15.020 13.764 92 HB3 ASN 12 HB3 ASN 12 -7.580 13.512 14.402 93 HD21 ASN 12 HD21 ASN 12 -5.552 13.180 15.416 94 HD22 ASN 12 HD22 ASN 12 -4.206 12.577 14.516 95 H GLY 13 H GLY 13 -7.052 13.326 9.966 96 HA2 GLY 13 HA2 GLY 13 -6.182 14.564 8.234 97 HA3 GLY 13 HA3 GLY 13 -7.480 15.687 8.613 98 H ASP 14 H ASP 14 -4.580 14.784 10.457 99 HA ASP 14 HA ASP 14 -3.906 17.642 10.605 100 HB2 ASP 14 HB2 ASP 14 -2.492 16.958 12.561 101 HB3 ASP 14 HB3 ASP 14 -4.216 16.670 12.782 102 H GLY 15 H GLY 15 -2.921 14.681 9.245 103 HA2 GLY 15 HA2 GLY 15 -1.164 14.172 7.849 104 HA3 GLY 15 HA3 GLY 15 -0.757 15.881 7.852 105 H ALA 16 H ALA 16 -0.964 14.341 10.913 106 HA ALA 16 HA ALA 16 1.948 13.952 10.993 107 HB1 ALA 16 HB1 ALA 16 1.427 14.885 13.505 108 HB2 ALA 16 HB2 ALA 16 2.095 15.843 12.183 109 HB3 ALA 16 HB3 ALA 16 0.364 15.885 12.513 110 H VAL 17 H VAL 17 2.612 12.179 12.074 111 HA VAL 17 HA VAL 17 0.597 10.692 13.629 112 HB VAL 17 HB VAL 17 2.638 9.601 11.694 113 HG11 VAL 17 HG11 VAL 17 2.720 7.687 12.814 114 HG12 VAL 17 HG12 VAL 17 1.783 8.432 14.112 115 HG13 VAL 17 HG13 VAL 17 0.960 7.574 12.809 116 HG21 VAL 17 HG21 VAL 17 0.184 10.451 11.118 117 HG22 VAL 17 HG22 VAL 17 0.900 9.044 10.333 118 HG23 VAL 17 HG23 VAL 17 -0.225 8.828 11.673 119 H SER 18 H SER 18 1.173 10.697 15.694 120 HA SER 18 HA SER 18 3.944 11.007 16.475 121 HB2 SER 18 HB2 SER 18 2.444 10.520 18.780 122 HB3 SER 18 HB3 SER 18 2.911 12.098 18.143 123 HG SER 18 HG SER 18 0.685 12.045 18.390 124 H TYR 19 H TYR 19 4.583 9.595 18.486 125 HA TYR 19 HA TYR 19 5.166 7.051 17.633 126 HB2 TYR 19 HB2 TYR 19 5.661 6.518 19.995 127 HB3 TYR 19 HB3 TYR 19 6.310 8.081 19.517 128 HD1 TYR 19 HD1 TYR 19 5.151 10.170 20.262 129 HD2 TYR 19 HD2 TYR 19 4.070 6.330 21.745 130 HE1 TYR 19 HE1 TYR 19 3.994 11.233 22.154 131 HE2 TYR 19 HE2 TYR 19 2.908 7.384 23.641 132 HH TYR 19 HH TYR 19 2.066 9.364 24.415 133 H GLU 20 H GLU 20 2.451 8.065 19.685 134 HA GLU 20 HA GLU 20 1.375 5.519 20.145 135 HB2 GLU 20 HB2 GLU 20 0.368 8.309 20.298 136 HB3 GLU 20 HB3 GLU 20 -0.837 7.029 20.246 137 HG2 GLU 20 HG2 GLU 20 1.269 6.429 22.130 138 HG3 GLU 20 HG3 GLU 20 0.500 7.976 22.480 139 H GLU 21 H GLU 21 0.595 7.922 17.641 140 HA GLU 21 HA GLU 21 -1.429 6.502 16.358 141 HB2 GLU 21 HB2 GLU 21 0.464 8.655 15.544 142 HB3 GLU 21 HB3 GLU 21 -0.439 7.831 14.280 143 HG2 GLU 21 HG2 GLU 21 -2.315 8.443 16.255 144 HG3 GLU 21 HG3 GLU 21 -1.295 9.873 16.108 145 H VAL 22 H VAL 22 2.065 6.294 16.038 146 HA VAL 22 HA VAL 22 2.131 4.671 13.727 147 HB VAL 22 HB VAL 22 4.124 5.006 15.968 148 HG11 VAL 22 HG11 VAL 22 5.004 3.081 15.218 149 HG12 VAL 22 HG12 VAL 22 4.082 3.127 13.715 150 HG13 VAL 22 HG13 VAL 22 5.568 4.063 13.868 151 HG21 VAL 22 HG21 VAL 22 4.261 6.000 13.131 152 HG22 VAL 22 HG22 VAL 22 3.590 6.952 14.455 153 HG23 VAL 22 HG23 VAL 22 5.283 6.458 14.492 154 H LYS 23 H LYS 23 2.507 3.800 17.167 155 HA LYS 23 HA LYS 23 2.651 1.046 16.851 156 HB2 LYS 23 HB2 LYS 23 2.234 2.905 19.023 157 HB3 LYS 23 HB3 LYS 23 1.233 1.475 19.236 158 HG2 LYS 23 HG2 LYS 23 4.142 1.218 18.590 159 HG3 LYS 23 HG3 LYS 23 3.600 1.505 20.244 160 HD2 LYS 23 HD2 LYS 23 2.605 -0.753 18.511 161 HD3 LYS 23 HD3 LYS 23 3.936 -0.906 19.660 162 HE2 LYS 23 HE2 LYS 23 1.542 0.304 20.810 163 HE3 LYS 23 HE3 LYS 23 1.276 -1.331 20.207 164 HZ1 LYS 23 HZ1 LYS 23 1.971 -1.653 22.376 165 HZ2 LYS 23 HZ2 LYS 23 3.130 -0.423 22.313 166 HZ3 LYS 23 HZ3 LYS 23 3.401 -1.881 21.500 167 H ALA 24 H ALA 24 -0.169 3.149 17.052 168 HA ALA 24 HA ALA 24 -2.100 1.076 17.213 169 HB1 ALA 24 HB1 ALA 24 -2.773 3.221 17.931 170 HB2 ALA 24 HB2 ALA 24 -2.279 3.968 16.412 171 HB3 ALA 24 HB3 ALA 24 -3.681 2.900 16.454 172 H PHE 25 H PHE 25 -0.714 2.901 14.516 173 HA PHE 25 HA PHE 25 -2.336 2.058 12.451 174 HB2 PHE 25 HB2 PHE 25 -0.499 3.740 12.269 175 HB3 PHE 25 HB3 PHE 25 0.662 2.418 12.287 176 HD1 PHE 25 HD1 PHE 25 -2.317 1.497 10.615 177 HD2 PHE 25 HD2 PHE 25 1.341 3.612 10.104 178 HE1 PHE 25 HE1 PHE 25 -2.535 1.277 8.174 179 HE2 PHE 25 HE2 PHE 25 1.128 3.396 7.662 180 HZ PHE 25 HZ PHE 25 -0.812 2.229 6.694 181 H VAL 26 H VAL 26 0.638 0.488 13.624 182 HA VAL 26 HA VAL 26 0.412 -1.754 11.893 183 HB VAL 26 HB VAL 26 2.448 -0.809 13.341 184 HG11 VAL 26 HG11 VAL 26 2.933 -2.113 15.264 185 HG12 VAL 26 HG12 VAL 26 1.283 -1.517 15.458 186 HG13 VAL 26 HG13 VAL 26 1.566 -3.187 14.963 187 HG21 VAL 26 HG21 VAL 26 3.555 -2.386 12.223 188 HG22 VAL 26 HG22 VAL 26 2.755 -3.682 13.114 189 HG23 VAL 26 HG23 VAL 26 1.986 -2.987 11.687 190 H SER 27 H SER 27 -0.827 -1.000 15.062 191 HA SER 27 HA SER 27 -1.412 -3.580 15.977 192 HB2 SER 27 HB2 SER 27 -2.085 -0.861 16.720 193 HB3 SER 27 HB3 SER 27 -3.469 -1.933 16.928 194 HG SER 27 HG SER 27 -0.924 -2.683 17.869 195 H LYS 28 H LYS 28 -2.898 -1.645 13.542 196 HA LYS 28 HA LYS 28 -5.443 -2.936 13.541 197 HB2 LYS 28 HB2 LYS 28 -4.027 -0.960 11.865 198 HB3 LYS 28 HB3 LYS 28 -5.222 -1.939 11.025 199 HG2 LYS 28 HG2 LYS 28 -6.099 0.212 11.892 200 HG3 LYS 28 HG3 LYS 28 -6.959 -1.208 12.494 201 HD2 LYS 28 HD2 LYS 28 -4.698 -0.353 14.159 202 HD3 LYS 28 HD3 LYS 28 -6.012 0.820 14.050 203 HE2 LYS 28 HE2 LYS 28 -7.483 -1.338 14.482 204 HE3 LYS 28 HE3 LYS 28 -5.989 -1.914 15.220 205 HZ1 LYS 28 HZ1 LYS 28 -7.768 0.245 16.067 206 HZ2 LYS 28 HZ2 LYS 28 -6.113 0.442 16.355 207 HZ3 LYS 28 HZ3 LYS 28 -6.930 -0.893 16.998 208 H LYS 29 H LYS 29 -2.403 -3.988 12.664 209 HA LYS 29 HA LYS 29 -3.450 -5.857 10.650 210 HB2 LYS 29 HB2 LYS 29 -0.538 -5.442 11.286 211 HB3 LYS 29 HB3 LYS 29 -1.254 -6.110 9.825 212 HG2 LYS 29 HG2 LYS 29 -1.294 -3.238 10.718 213 HG3 LYS 29 HG3 LYS 29 -0.422 -3.922 9.344 214 HD2 LYS 29 HD2 LYS 29 -3.423 -3.831 9.659 215 HD3 LYS 29 HD3 LYS 29 -2.461 -2.760 8.637 216 HE2 LYS 29 HE2 LYS 29 -1.660 -4.769 7.402 217 HE3 LYS 29 HE3 LYS 29 -2.778 -5.745 8.354 218 HZ1 LYS 29 HZ1 LYS 29 -4.364 -3.780 7.400 219 HZ2 LYS 29 HZ2 LYS 29 -4.210 -5.319 6.716 220 HZ3 LYS 29 HZ3 LYS 29 -3.302 -4.028 6.107 221 H ARG 30 H ARG 30 -2.126 -5.621 13.834 222 HA ARG 30 HA ARG 30 -2.901 -8.221 14.556 223 HB2 ARG 30 HB2 ARG 30 -0.622 -9.187 14.951 224 HB3 ARG 30 HB3 ARG 30 -1.065 -9.037 13.256 225 HG2 ARG 30 HG2 ARG 30 0.211 -6.651 13.811 226 HG3 ARG 30 HG3 ARG 30 1.138 -7.851 14.713 227 HD2 ARG 30 HD2 ARG 30 0.556 -7.776 11.764 228 HD3 ARG 30 HD3 ARG 30 2.124 -7.724 12.567 229 HE ARG 30 HE ARG 30 1.155 -10.113 13.337 230 HH11 ARG 30 HH11 ARG 30 1.448 -8.583 10.223 231 HH12 ARG 30 HH12 ARG 30 1.639 -10.075 9.363 232 HH21 ARG 30 HH21 ARG 30 1.406 -12.084 12.215 233 HH22 ARG 30 HH22 ARG 30 1.614 -12.065 10.496 234 H ALA 31 H ALA 31 -1.401 -8.840 16.671 235 HA ALA 31 HA ALA 31 -1.449 -6.395 18.318 236 HB1 ALA 31 HB1 ALA 31 -2.007 -7.832 20.223 237 HB2 ALA 31 HB2 ALA 31 -3.208 -7.955 18.937 238 HB3 ALA 31 HB3 ALA 31 -2.015 -9.237 19.155 239 H ILE 32 H ILE 32 0.692 -5.819 18.179 240 HA ILE 32 HA ILE 32 2.578 -7.664 19.471 241 HB ILE 32 HB ILE 32 3.214 -5.960 17.059 242 HG12 ILE 32 HG12 ILE 32 3.127 -8.974 17.323 243 HG13 ILE 32 HG13 ILE 32 1.863 -8.002 16.578 244 HG21 ILE 32 HG21 ILE 32 5.086 -6.103 18.604 245 HG22 ILE 32 HG22 ILE 32 4.944 -7.859 18.638 246 HG23 ILE 32 HG23 ILE 32 5.413 -7.042 17.148 247 HD11 ILE 32 HD11 ILE 32 3.638 -7.169 14.983 248 HD12 ILE 32 HD12 ILE 32 4.666 -8.455 15.618 249 HD13 ILE 32 HD13 ILE 32 3.148 -8.855 14.814 250 H LYS 33 H LYS 33 2.807 -6.659 21.391 251 HA LYS 33 HA LYS 33 3.001 -3.782 21.577 252 HB2 LYS 33 HB2 LYS 33 3.326 -4.250 24.020 253 HB3 LYS 33 HB3 LYS 33 1.830 -4.886 23.348 254 HG2 LYS 33 HG2 LYS 33 2.352 -6.939 23.986 255 HG3 LYS 33 HG3 LYS 33 3.906 -6.855 23.151 256 HD2 LYS 33 HD2 LYS 33 5.034 -6.427 25.047 257 HD3 LYS 33 HD3 LYS 33 3.795 -5.322 25.647 258 HE2 LYS 33 HE2 LYS 33 2.403 -7.317 26.214 259 HE3 LYS 33 HE3 LYS 33 3.774 -8.334 25.778 260 HZ1 LYS 33 HZ1 LYS 33 4.319 -8.120 27.919 261 HZ2 LYS 33 HZ2 LYS 33 3.333 -6.767 28.156 262 HZ3 LYS 33 HZ3 LYS 33 4.880 -6.580 27.496 263 H ASN 34 H ASN 34 4.849 -2.918 20.845 264 HA ASN 34 HA ASN 34 7.374 -4.043 21.864 265 HB2 ASN 34 HB2 ASN 34 6.845 -2.776 19.169 266 HB3 ASN 34 HB3 ASN 34 8.446 -3.186 19.775 267 HD21 ASN 34 HD21 ASN 34 7.276 -4.185 17.407 268 HD22 ASN 34 HD22 ASN 34 7.094 -5.894 17.588 269 H GLU 35 H GLU 35 7.823 -2.700 23.524 270 HA GLU 35 HA GLU 35 7.297 0.111 23.437 271 HB2 GLU 35 HB2 GLU 35 7.831 -1.755 25.432 272 HB3 GLU 35 HB3 GLU 35 9.242 -0.706 25.439 273 HG2 GLU 35 HG2 GLU 35 6.629 0.650 25.339 274 HG3 GLU 35 HG3 GLU 35 7.002 -0.214 26.831 275 H GLN 36 H GLN 36 10.191 -1.905 23.138 276 HA GLN 36 HA GLN 36 11.993 0.291 22.895 277 HB2 GLN 36 HB2 GLN 36 12.325 -2.340 23.405 278 HB3 GLN 36 HB3 GLN 36 12.744 -2.309 21.697 279 HG2 GLN 36 HG2 GLN 36 14.099 -0.148 22.805 280 HG3 GLN 36 HG3 GLN 36 14.268 -1.448 23.982 281 HE21 GLN 36 HE21 GLN 36 14.460 -3.666 22.526 282 HE22 GLN 36 HE22 GLN 36 15.832 -3.613 21.479 283 H LEU 37 H LEU 37 10.566 -1.967 20.545 284 HA LEU 37 HA LEU 37 11.761 -0.877 18.257 285 HB2 LEU 37 HB2 LEU 37 10.418 -3.066 18.592 286 HB3 LEU 37 HB3 LEU 37 9.014 -2.067 18.223 287 HG LEU 37 HG LEU 37 10.340 -1.447 16.076 288 HD11 LEU 37 HD11 LEU 37 12.083 -3.373 17.292 289 HD12 LEU 37 HD12 LEU 37 12.320 -2.412 15.833 290 HD13 LEU 37 HD13 LEU 37 11.505 -3.973 15.737 291 HD21 LEU 37 HD21 LEU 37 9.420 -3.462 14.944 292 HD22 LEU 37 HD22 LEU 37 8.267 -2.651 16.005 293 HD23 LEU 37 HD23 LEU 37 9.059 -4.137 16.532 294 H LEU 38 H LEU 38 8.782 -0.055 19.950 295 HA LEU 38 HA LEU 38 7.729 1.714 18.035 296 HB2 LEU 38 HB2 LEU 38 6.349 0.885 19.807 297 HB3 LEU 38 HB3 LEU 38 7.406 1.594 21.026 298 HG LEU 38 HG LEU 38 5.140 2.724 20.492 299 HD11 LEU 38 HD11 LEU 38 5.999 4.401 21.666 300 HD12 LEU 38 HD12 LEU 38 7.064 4.871 20.342 301 HD13 LEU 38 HD13 LEU 38 7.574 3.628 21.485 302 HD21 LEU 38 HD21 LEU 38 6.605 4.285 18.455 303 HD22 LEU 38 HD22 LEU 38 4.885 3.919 18.588 304 HD23 LEU 38 HD23 LEU 38 5.998 2.707 17.954 305 H GLN 39 H GLN 39 9.778 2.308 20.877 306 HA GLN 39 HA GLN 39 9.944 5.099 20.578 307 HB2 GLN 39 HB2 GLN 39 10.789 3.321 22.455 308 HB3 GLN 39 HB3 GLN 39 12.315 3.744 21.691 309 HG2 GLN 39 HG2 GLN 39 10.356 5.613 22.998 310 HG3 GLN 39 HG3 GLN 39 11.969 5.181 23.565 311 HE21 GLN 39 HE21 GLN 39 13.773 5.772 22.127 312 HE22 GLN 39 HE22 GLN 39 13.662 7.255 21.246 313 H LEU 40 H LEU 40 12.207 2.538 19.571 314 HA LEU 40 HA LEU 40 14.058 4.226 18.310 315 HB2 LEU 40 HB2 LEU 40 13.954 1.584 18.878 316 HB3 LEU 40 HB3 LEU 40 13.676 1.552 17.137 317 HG LEU 40 HG LEU 40 16.082 2.673 18.570 318 HD11 LEU 40 HD11 LEU 40 16.465 0.418 18.508 319 HD12 LEU 40 HD12 LEU 40 17.110 0.891 16.937 320 HD13 LEU 40 HD13 LEU 40 15.500 0.180 17.051 321 HD21 LEU 40 HD21 LEU 40 15.022 3.142 15.879 322 HD22 LEU 40 HD22 LEU 40 16.709 2.631 15.921 323 HD23 LEU 40 HD23 LEU 40 16.198 4.065 16.815 324 H ILE 41 H ILE 41 11.402 2.307 16.914 325 HA ILE 41 HA ILE 41 11.736 3.171 14.266 326 HB ILE 41 HB ILE 41 9.297 2.148 15.714 327 HG12 ILE 41 HG12 ILE 41 11.194 0.580 15.396 328 HG13 ILE 41 HG13 ILE 41 9.754 0.087 14.512 329 HG21 ILE 41 HG21 ILE 41 8.446 3.475 13.935 330 HG22 ILE 41 HG22 ILE 41 9.644 2.844 12.806 331 HG23 ILE 41 HG23 ILE 41 8.363 1.794 13.410 332 HD11 ILE 41 HD11 ILE 41 11.724 -0.246 13.164 333 HD12 ILE 41 HD12 ILE 41 10.722 1.024 12.461 334 HD13 ILE 41 HD13 ILE 41 12.178 1.446 13.362 335 H PHE 42 H PHE 42 10.059 4.593 16.990 336 HA PHE 42 HA PHE 42 8.478 6.458 15.620 337 HB2 PHE 42 HB2 PHE 42 8.032 6.091 17.929 338 HB3 PHE 42 HB3 PHE 42 9.687 6.485 18.384 339 HD1 PHE 42 HD1 PHE 42 6.878 8.103 16.527 340 HD2 PHE 42 HD2 PHE 42 9.979 8.504 19.415 341 HE1 PHE 42 HE1 PHE 42 6.209 10.439 16.918 342 HE2 PHE 42 HE2 PHE 42 9.315 10.839 19.811 343 HZ PHE 42 HZ PHE 42 7.427 11.809 18.562 344 H LYS 43 H LYS 43 11.717 6.830 17.051 345 HA LYS 43 HA LYS 43 12.070 9.482 16.061 346 HB2 LYS 43 HB2 LYS 43 13.325 7.941 17.948 347 HB3 LYS 43 HB3 LYS 43 14.505 7.946 16.645 348 HG2 LYS 43 HG2 LYS 43 14.265 10.467 16.625 349 HG3 LYS 43 HG3 LYS 43 13.388 10.292 18.147 350 HD2 LYS 43 HD2 LYS 43 15.350 10.296 19.197 351 HD3 LYS 43 HD3 LYS 43 15.701 8.744 18.433 352 HE2 LYS 43 HE2 LYS 43 17.114 9.658 16.925 353 HE3 LYS 43 HE3 LYS 43 16.154 11.127 16.759 354 HZ1 LYS 43 HZ1 LYS 43 18.196 10.478 18.785 355 HZ2 LYS 43 HZ2 LYS 43 17.018 11.650 19.099 356 HZ3 LYS 43 HZ3 LYS 43 18.079 11.845 17.796 357 H SER 44 H SER 44 12.753 6.288 14.841 358 HA SER 44 HA SER 44 14.568 7.073 12.799 359 HB2 SER 44 HB2 SER 44 12.965 4.607 13.376 360 HB3 SER 44 HB3 SER 44 13.748 4.784 11.805 361 HG SER 44 HG SER 44 15.706 4.789 12.766 362 H ILE 45 H ILE 45 11.098 6.283 12.762 363 HA ILE 45 HA ILE 45 10.716 6.847 10.019 364 HB ILE 45 HB ILE 45 8.750 6.790 12.308 365 HG12 ILE 45 HG12 ILE 45 9.398 4.813 10.111 366 HG13 ILE 45 HG13 ILE 45 9.791 4.637 11.818 367 HG21 ILE 45 HG21 ILE 45 7.848 8.213 10.588 368 HG22 ILE 45 HG22 ILE 45 8.237 7.022 9.348 369 HG23 ILE 45 HG23 ILE 45 7.004 6.664 10.557 370 HD11 ILE 45 HD11 ILE 45 7.896 3.281 11.335 371 HD12 ILE 45 HD12 ILE 45 7.353 4.651 12.306 372 HD13 ILE 45 HD13 ILE 45 7.059 4.629 10.567 373 H ASP 46 H ASP 46 10.635 8.830 12.903 374 HA ASP 46 HA ASP 46 9.532 11.117 11.518 375 HB2 ASP 46 HB2 ASP 46 9.350 10.419 14.071 376 HB3 ASP 46 HB3 ASP 46 10.831 11.364 14.193 377 H ALA 47 H ALA 47 10.688 12.468 10.328 378 HA ALA 47 HA ALA 47 13.490 12.290 10.056 379 HB1 ALA 47 HB1 ALA 47 11.842 14.666 9.240 380 HB2 ALA 47 HB2 ALA 47 13.321 14.050 8.501 381 HB3 ALA 47 HB3 ALA 47 11.815 13.143 8.352 382 H ASP 48 H ASP 48 11.409 14.550 11.810 383 HA ASP 48 HA ASP 48 13.812 15.768 12.997 384 HB2 ASP 48 HB2 ASP 48 12.314 17.650 13.623 385 HB3 ASP 48 HB3 ASP 48 12.402 17.391 11.882 386 H GLY 49 H GLY 49 11.178 13.719 13.630 387 HA2 GLY 49 HA2 GLY 49 10.432 12.690 15.541 388 HA3 GLY 49 HA3 GLY 49 11.996 13.095 16.231 389 H ASN 50 H ASN 50 9.676 15.465 15.083 390 HA ASN 50 HA ASN 50 9.656 16.696 17.707 391 HB2 ASN 50 HB2 ASN 50 8.399 18.510 16.588 392 HB3 ASN 50 HB3 ASN 50 9.905 18.134 15.756 393 HD21 ASN 50 HD21 ASN 50 7.909 19.501 14.492 394 HD22 ASN 50 HD22 ASN 50 7.215 18.512 13.257 395 H GLY 51 H GLY 51 8.496 14.966 18.784 396 HA2 GLY 51 HA2 GLY 51 6.576 14.214 19.803 397 HA3 GLY 51 HA3 GLY 51 5.717 15.519 18.998 398 H GLU 52 H GLU 52 6.112 14.882 16.344 399 HA GLU 52 HA GLU 52 5.310 12.128 15.929 400 HB2 GLU 52 HB2 GLU 52 3.258 12.933 14.622 401 HB3 GLU 52 HB3 GLU 52 3.148 12.917 16.375 402 HG2 GLU 52 HG2 GLU 52 2.195 14.940 15.276 403 HG3 GLU 52 HG3 GLU 52 3.416 15.268 16.504 404 H ILE 53 H ILE 53 4.979 11.671 13.571 405 HA ILE 53 HA ILE 53 7.003 13.121 12.049 406 HB ILE 53 HB ILE 53 5.557 10.669 11.092 407 HG12 ILE 53 HG12 ILE 53 7.984 9.812 12.152 408 HG13 ILE 53 HG13 ILE 53 7.344 10.904 13.376 409 HG21 ILE 53 HG21 ILE 53 7.941 10.344 10.114 410 HG22 ILE 53 HG22 ILE 53 6.845 11.504 9.367 411 HG23 ILE 53 HG23 ILE 53 8.118 12.067 10.449 412 HD11 ILE 53 HD11 ILE 53 6.037 9.282 14.101 413 HD12 ILE 53 HD12 ILE 53 5.219 9.251 12.539 414 HD13 ILE 53 HD13 ILE 53 6.618 8.216 12.822 415 H ASP 54 H ASP 54 6.494 14.585 10.570 416 HA ASP 54 HA ASP 54 3.756 15.107 9.888 417 HB2 ASP 54 HB2 ASP 54 6.142 16.359 8.544 418 HB3 ASP 54 HB3 ASP 54 4.544 17.051 8.810 419 H GLN 55 H GLN 55 2.976 15.283 7.666 420 HA GLN 55 HA GLN 55 3.185 12.919 6.240 421 HB2 GLN 55 HB2 GLN 55 2.138 14.199 4.351 422 HB3 GLN 55 HB3 GLN 55 1.297 14.338 5.888 423 HG2 GLN 55 HG2 GLN 55 2.439 16.513 6.249 424 HG3 GLN 55 HG3 GLN 55 3.108 16.378 4.623 425 HE21 GLN 55 HE21 GLN 55 0.290 17.000 6.520 426 HE22 GLN 55 HE22 GLN 55 -0.725 17.528 5.227 427 H ASN 56 H ASN 56 4.848 16.003 5.682 428 HA ASN 56 HA ASN 56 6.176 15.319 3.326 429 HB2 ASN 56 HB2 ASN 56 6.027 17.573 4.759 430 HB3 ASN 56 HB3 ASN 56 7.611 17.022 5.299 431 HD21 ASN 56 HD21 ASN 56 8.878 16.068 3.265 432 HD22 ASN 56 HD22 ASN 56 8.982 17.181 1.949 433 H GLU 57 H GLU 57 7.287 15.043 6.696 434 HA GLU 57 HA GLU 57 9.798 13.938 6.147 435 HB2 GLU 57 HB2 GLU 57 8.074 13.410 8.573 436 HB3 GLU 57 HB3 GLU 57 9.818 13.215 8.466 437 HG2 GLU 57 HG2 GLU 57 10.204 15.498 8.454 438 HG3 GLU 57 HG3 GLU 57 8.560 15.873 7.942 439 H PHE 58 H PHE 58 6.666 12.385 6.717 440 HA PHE 58 HA PHE 58 7.594 9.727 6.668 441 HB2 PHE 58 HB2 PHE 58 5.297 10.670 7.416 442 HB3 PHE 58 HB3 PHE 58 4.854 10.517 5.719 443 HD1 PHE 58 HD1 PHE 58 4.676 8.326 4.673 444 HD2 PHE 58 HD2 PHE 58 5.594 8.741 8.808 445 HE1 PHE 58 HE1 PHE 58 4.135 5.952 5.028 446 HE2 PHE 58 HE2 PHE 58 5.056 6.368 9.170 447 HZ PHE 58 HZ PHE 58 4.326 4.970 7.278 448 H ALA 59 H ALA 59 6.400 11.866 4.120 449 HA ALA 59 HA ALA 59 6.319 9.999 2.034 450 HB1 ALA 59 HB1 ALA 59 6.380 12.940 2.248 451 HB2 ALA 59 HB2 ALA 59 6.893 12.262 0.702 452 HB3 ALA 59 HB3 ALA 59 5.293 11.887 1.342 453 H LYS 60 H LYS 60 8.908 12.275 2.939 454 HA LYS 60 HA LYS 60 10.748 11.362 0.995 455 HB2 LYS 60 HB2 LYS 60 11.309 12.752 3.622 456 HB3 LYS 60 HB3 LYS 60 12.421 12.619 2.266 457 HG2 LYS 60 HG2 LYS 60 9.764 13.865 1.796 458 HG3 LYS 60 HG3 LYS 60 10.992 14.788 2.666 459 HD2 LYS 60 HD2 LYS 60 11.542 13.447 0.029 460 HD3 LYS 60 HD3 LYS 60 10.906 15.090 0.142 461 HE2 LYS 60 HE2 LYS 60 13.490 14.099 1.344 462 HE3 LYS 60 HE3 LYS 60 13.337 15.091 -0.106 463 HZ1 LYS 60 HZ1 LYS 60 13.126 15.847 2.685 464 HZ2 LYS 60 HZ2 LYS 60 11.985 16.558 1.659 465 HZ3 LYS 60 HZ3 LYS 60 13.637 16.754 1.352 466 H PHE 61 H PHE 61 9.842 10.191 4.119 467 HA PHE 61 HA PHE 61 12.211 8.598 4.507 468 HB2 PHE 61 HB2 PHE 61 11.279 9.166 6.548 469 HB3 PHE 61 HB3 PHE 61 9.629 8.973 5.966 470 HD1 PHE 61 HD1 PHE 61 12.645 6.791 6.267 471 HD2 PHE 61 HD2 PHE 61 8.480 7.283 6.986 472 HE1 PHE 61 HE1 PHE 61 12.558 4.548 7.275 473 HE2 PHE 61 HE2 PHE 61 8.385 5.041 7.997 474 HZ PHE 61 HZ PHE 61 10.426 3.671 8.143 475 H TYR 62 H TYR 62 8.979 8.138 3.235 476 HA TYR 62 HA TYR 62 8.976 5.319 3.175 477 HB2 TYR 62 HB2 TYR 62 6.898 6.481 2.918 478 HB3 TYR 62 HB3 TYR 62 7.497 7.369 1.521 479 HD1 TYR 62 HD2 TYR 62 6.205 4.155 2.716 480 HD2 TYR 62 HD1 TYR 62 7.609 6.325 -0.665 481 HE1 TYR 62 HE2 TYR 62 5.293 2.420 1.231 482 HE2 TYR 62 HE1 TYR 62 6.698 4.597 -2.159 483 HH TYR 62 HH TYR 62 5.458 2.747 -2.295 484 H GLY 63 H GLY 63 10.240 4.006 2.052 485 HA2 GLY 63 HA2 GLY 63 11.234 3.090 0.154 486 HA3 GLY 63 HA3 GLY 63 10.823 4.550 -0.734 487 H SER 64 H SER 64 12.257 5.474 2.101 488 HA SER 64 HA SER 64 14.775 5.999 0.720 489 HB2 SER 64 HB2 SER 64 13.652 7.890 1.812 490 HB3 SER 64 HB3 SER 64 13.727 7.050 3.361 491 HG SER 64 HG SER 64 15.936 7.246 3.348 492 H ILE 65 H ILE 65 14.011 3.340 1.836 493 HA ILE 65 HA ILE 65 15.923 2.990 4.011 494 HB ILE 65 HB ILE 65 14.335 0.778 2.742 495 HG12 ILE 65 HG12 ILE 65 13.398 2.699 4.884 496 HG13 ILE 65 HG13 ILE 65 12.738 2.554 3.259 497 HG21 ILE 65 HG21 ILE 65 16.174 0.947 4.866 498 HG22 ILE 65 HG22 ILE 65 14.590 0.670 5.587 499 HG23 ILE 65 HG23 ILE 65 15.212 -0.446 4.372 500 HD11 ILE 65 HD11 ILE 65 11.235 1.419 4.636 501 HD12 ILE 65 HD12 ILE 65 12.195 0.147 3.878 502 HD13 ILE 65 HD13 ILE 65 12.525 0.630 5.543 503 H GLN 66 H GLN 66 16.512 3.485 1.020 504 HA GLN 66 HA GLN 66 17.643 1.276 -0.183 505 HB2 GLN 66 HB2 GLN 66 18.206 4.203 -0.292 506 HB3 GLN 66 HB3 GLN 66 19.348 3.107 -1.058 507 HG2 GLN 66 HG2 GLN 66 17.157 2.124 -2.137 508 HG3 GLN 66 HG3 GLN 66 16.538 3.735 -1.781 509 HE21 GLN 66 HE21 GLN 66 17.407 5.512 -2.841 510 HE22 GLN 66 HE22 GLN 66 18.373 5.355 -4.265 Start of MODEL 6 1 H1 MET 1 H MET 1 -0.652 3.623 -4.287 2 HA MET 1 HA MET 1 -1.951 4.644 -2.098 3 HB2 MET 1 HB2 MET 1 -2.485 2.507 -0.830 4 HB3 MET 1 HB3 MET 1 -3.599 2.947 -2.117 5 HG2 MET 1 HG2 MET 1 -1.504 1.266 -3.134 6 HG3 MET 1 HG3 MET 1 -2.290 0.512 -1.750 7 HE1 MET 1 HE1 MET 1 -5.868 -0.091 -2.814 8 HE2 MET 1 HE2 MET 1 -4.630 -0.152 -1.558 9 HE3 MET 1 HE3 MET 1 -5.408 1.381 -1.957 10 H ALA 2 H ALA 2 0.192 5.371 -1.868 11 HA ALA 2 HA ALA 2 2.030 3.363 -0.738 12 HB1 ALA 2 HB1 ALA 2 2.663 4.348 -3.003 13 HB2 ALA 2 HB2 ALA 2 2.963 5.853 -2.132 14 HB3 ALA 2 HB3 ALA 2 3.883 4.403 -1.730 15 H GLU 3 H GLU 3 1.874 6.924 -0.896 16 HA GLU 3 HA GLU 3 2.640 7.054 1.911 17 HB2 GLU 3 HB2 GLU 3 2.977 9.427 1.529 18 HB3 GLU 3 HB3 GLU 3 3.781 8.500 0.269 19 HG2 GLU 3 HG2 GLU 3 2.002 8.988 -1.284 20 HG3 GLU 3 HG3 GLU 3 1.090 9.814 -0.023 21 H ALA 4 H ALA 4 -0.145 7.411 -0.085 22 HA ALA 4 HA ALA 4 -1.752 9.139 1.349 23 HB1 ALA 4 HB1 ALA 4 -2.158 7.021 -0.597 24 HB2 ALA 4 HB2 ALA 4 -3.509 7.179 0.526 25 HB3 ALA 4 HB3 ALA 4 -2.983 8.570 -0.420 26 H LEU 5 H LEU 5 -0.749 5.912 2.147 27 HA LEU 5 HA LEU 5 -2.741 5.231 4.001 28 HB2 LEU 5 HB2 LEU 5 0.112 4.419 4.375 29 HB3 LEU 5 HB3 LEU 5 -1.358 3.491 4.667 30 HG LEU 5 HG LEU 5 -0.075 4.106 2.011 31 HD11 LEU 5 HD11 LEU 5 1.022 2.298 3.055 32 HD12 LEU 5 HD12 LEU 5 -0.101 1.583 1.899 33 HD13 LEU 5 HD13 LEU 5 -0.497 1.601 3.617 34 HD21 LEU 5 HD21 LEU 5 -2.841 3.511 2.669 35 HD22 LEU 5 HD22 LEU 5 -2.135 2.323 1.571 36 HD23 LEU 5 HD23 LEU 5 -2.127 4.035 1.143 37 H PHE 6 H PHE 6 0.225 7.102 4.330 38 HA PHE 6 HA PHE 6 0.294 7.283 7.125 39 HB2 PHE 6 HB2 PHE 6 2.243 7.995 6.048 40 HB3 PHE 6 HB3 PHE 6 1.359 9.006 4.911 41 HD1 PHE 6 HD1 PHE 6 0.369 11.154 5.695 42 HD2 PHE 6 HD2 PHE 6 3.007 8.844 8.107 43 HE1 PHE 6 HE1 PHE 6 0.780 13.118 7.119 44 HE2 PHE 6 HE2 PHE 6 3.423 10.804 9.536 45 HZ PHE 6 HZ PHE 6 2.308 12.945 9.043 46 H LYS 7 H LYS 7 -1.161 9.466 4.725 47 HA LYS 7 HA LYS 7 -2.288 11.188 6.718 48 HB2 LYS 7 HB2 LYS 7 -2.282 12.520 4.922 49 HB3 LYS 7 HB3 LYS 7 -2.028 11.153 3.843 50 HG2 LYS 7 HG2 LYS 7 -4.439 10.729 3.822 51 HG3 LYS 7 HG3 LYS 7 -4.686 12.117 4.885 52 HD2 LYS 7 HD2 LYS 7 -3.198 12.487 2.324 53 HD3 LYS 7 HD3 LYS 7 -4.958 12.358 2.288 54 HE2 LYS 7 HE2 LYS 7 -3.434 14.301 4.017 55 HE3 LYS 7 HE3 LYS 7 -4.095 14.696 2.431 56 HZ1 LYS 7 HZ1 LYS 7 -6.106 13.511 3.995 57 HZ2 LYS 7 HZ2 LYS 7 -6.050 15.077 3.361 58 HZ3 LYS 7 HZ3 LYS 7 -5.399 14.761 4.890 59 H GLU 8 H GLU 8 -3.306 8.328 5.042 60 HA GLU 8 HA GLU 8 -6.095 8.592 5.392 61 HB2 GLU 8 HB2 GLU 8 -4.957 6.976 3.849 62 HB3 GLU 8 HB3 GLU 8 -4.515 6.022 5.258 63 HG2 GLU 8 HG2 GLU 8 -6.501 5.047 5.319 64 HG3 GLU 8 HG3 GLU 8 -7.337 6.597 5.248 65 H ILE 9 H ILE 9 -3.562 7.153 7.390 66 HA ILE 9 HA ILE 9 -5.302 6.080 9.356 67 HB ILE 9 HB ILE 9 -2.378 6.813 9.502 68 HG12 ILE 9 HG12 ILE 9 -2.986 4.994 7.930 69 HG13 ILE 9 HG13 ILE 9 -2.002 4.421 9.273 70 HG21 ILE 9 HG21 ILE 9 -4.144 5.421 11.502 71 HG22 ILE 9 HG22 ILE 9 -2.384 5.314 11.524 72 HG23 ILE 9 HG23 ILE 9 -3.174 6.876 11.736 73 HD11 ILE 9 HD11 ILE 9 -4.798 4.209 9.902 74 HD12 ILE 9 HD12 ILE 9 -4.423 3.383 8.390 75 HD13 ILE 9 HD13 ILE 9 -3.553 2.961 9.864 76 H ASP 10 H ASP 10 -4.057 9.243 8.761 77 HA ASP 10 HA ASP 10 -4.484 10.228 11.432 78 HB2 ASP 10 HB2 ASP 10 -3.589 11.377 8.838 79 HB3 ASP 10 HB3 ASP 10 -4.291 12.487 10.012 80 H VAL 11 H VAL 11 -6.725 9.415 11.554 81 HA VAL 11 HA VAL 11 -8.811 10.397 9.953 82 HB VAL 11 HB VAL 11 -9.044 9.641 12.866 83 HG11 VAL 11 HG11 VAL 11 -11.273 8.722 11.673 84 HG12 VAL 11 HG12 VAL 11 -11.147 10.325 12.399 85 HG13 VAL 11 HG13 VAL 11 -10.941 10.125 10.658 86 HG21 VAL 11 HG21 VAL 11 -8.768 7.941 10.414 87 HG22 VAL 11 HG22 VAL 11 -7.939 7.799 11.963 88 HG23 VAL 11 HG23 VAL 11 -9.641 7.358 11.831 89 H ASN 12 H ASN 12 -6.944 11.915 12.387 90 HA ASN 12 HA ASN 12 -8.918 13.916 13.056 91 HB2 ASN 12 HB2 ASN 12 -6.877 14.976 14.223 92 HB3 ASN 12 HB3 ASN 12 -7.470 13.437 14.841 93 HD21 ASN 12 HD21 ASN 12 -5.392 13.136 15.770 94 HD22 ASN 12 HD22 ASN 12 -4.070 12.583 14.804 95 H GLY 13 H GLY 13 -7.119 13.395 10.378 96 HA2 GLY 13 HA2 GLY 13 -6.372 14.705 8.644 97 HA3 GLY 13 HA3 GLY 13 -7.650 15.805 9.140 98 H ASP 14 H ASP 14 -4.645 14.846 10.777 99 HA ASP 14 HA ASP 14 -3.985 17.695 11.037 100 HB2 ASP 14 HB2 ASP 14 -2.401 16.901 12.817 101 HB3 ASP 14 HB3 ASP 14 -4.100 16.587 13.161 102 H GLY 15 H GLY 15 -3.090 14.871 9.376 103 HA2 GLY 15 HA2 GLY 15 -1.467 14.534 7.777 104 HA3 GLY 15 HA3 GLY 15 -1.012 16.221 7.963 105 H ALA 16 H ALA 16 -1.008 14.655 10.931 106 HA ALA 16 HA ALA 16 1.826 13.911 10.699 107 HB1 ALA 16 HB1 ALA 16 0.629 15.976 12.446 108 HB2 ALA 16 HB2 ALA 16 1.856 14.934 13.167 109 HB3 ALA 16 HB3 ALA 16 2.239 15.884 11.732 110 H VAL 17 H VAL 17 2.442 12.152 11.871 111 HA VAL 17 HA VAL 17 0.398 10.907 13.593 112 HB VAL 17 HB VAL 17 1.187 8.701 12.850 113 HG11 VAL 17 HG11 VAL 17 0.570 10.015 10.277 114 HG12 VAL 17 HG12 VAL 17 -0.214 8.648 11.072 115 HG13 VAL 17 HG13 VAL 17 -0.567 10.295 11.595 116 HG21 VAL 17 HG21 VAL 17 3.184 10.351 11.467 117 HG22 VAL 17 HG22 VAL 17 3.287 8.687 12.044 118 HG23 VAL 17 HG23 VAL 17 2.507 9.038 10.503 119 H SER 18 H SER 18 1.063 10.812 15.625 120 HA SER 18 HA SER 18 3.866 11.044 16.290 121 HB2 SER 18 HB2 SER 18 2.484 10.531 18.651 122 HB3 SER 18 HB3 SER 18 2.903 12.121 18.011 123 HG SER 18 HG SER 18 0.769 12.275 18.167 124 H TYR 19 H TYR 19 4.529 9.576 18.279 125 HA TYR 19 HA TYR 19 5.110 7.066 17.357 126 HB2 TYR 19 HB2 TYR 19 5.560 6.444 19.710 127 HB3 TYR 19 HB3 TYR 19 6.223 8.021 19.297 128 HD1 TYR 19 HD1 TYR 19 5.066 10.085 20.099 129 HD2 TYR 19 HD2 TYR 19 3.932 6.203 21.422 130 HE1 TYR 19 HE1 TYR 19 3.881 11.088 22.007 131 HE2 TYR 19 HE2 TYR 19 2.744 7.195 23.332 132 HH TYR 19 HH TYR 19 3.214 10.144 24.460 133 H GLU 20 H GLU 20 2.352 8.005 19.385 134 HA GLU 20 HA GLU 20 1.268 5.470 19.793 135 HB2 GLU 20 HB2 GLU 20 0.156 8.241 19.780 136 HB3 GLU 20 HB3 GLU 20 -0.964 6.888 19.826 137 HG2 GLU 20 HG2 GLU 20 0.968 6.306 21.752 138 HG3 GLU 20 HG3 GLU 20 0.622 8.025 21.934 139 H GLU 21 H GLU 21 0.646 7.803 17.189 140 HA GLU 21 HA GLU 21 -1.328 6.386 15.833 141 HB2 GLU 21 HB2 GLU 21 0.781 8.298 14.839 142 HB3 GLU 21 HB3 GLU 21 -0.468 7.640 13.793 143 HG2 GLU 21 HG2 GLU 21 -1.615 8.728 16.199 144 HG3 GLU 21 HG3 GLU 21 -0.616 9.924 15.374 145 H VAL 22 H VAL 22 2.193 6.180 15.584 146 HA VAL 22 HA VAL 22 2.322 4.425 13.397 147 HB VAL 22 HB VAL 22 4.234 4.808 15.702 148 HG11 VAL 22 HG11 VAL 22 5.712 3.813 13.624 149 HG12 VAL 22 HG12 VAL 22 5.167 2.890 15.025 150 HG13 VAL 22 HG13 VAL 22 4.233 2.858 13.528 151 HG21 VAL 22 HG21 VAL 22 3.595 6.465 13.574 152 HG22 VAL 22 HG22 VAL 22 5.035 6.566 14.587 153 HG23 VAL 22 HG23 VAL 22 5.087 5.669 13.069 154 H LYS 23 H LYS 23 2.548 3.701 16.883 155 HA LYS 23 HA LYS 23 2.658 0.929 16.679 156 HB2 LYS 23 HB2 LYS 23 2.163 2.886 18.769 157 HB3 LYS 23 HB3 LYS 23 1.217 1.423 19.012 158 HG2 LYS 23 HG2 LYS 23 4.192 1.456 18.561 159 HG3 LYS 23 HG3 LYS 23 3.422 1.414 20.150 160 HD2 LYS 23 HD2 LYS 23 3.045 -0.646 17.976 161 HD3 LYS 23 HD3 LYS 23 4.110 -0.823 19.373 162 HE2 LYS 23 HE2 LYS 23 1.110 -0.526 19.402 163 HE3 LYS 23 HE3 LYS 23 2.035 -1.974 19.797 164 HZ1 LYS 23 HZ1 LYS 23 1.495 -1.049 21.846 165 HZ2 LYS 23 HZ2 LYS 23 1.803 0.535 21.338 166 HZ3 LYS 23 HZ3 LYS 23 3.088 -0.534 21.596 167 H ALA 24 H ALA 24 -0.096 3.102 16.606 168 HA ALA 24 HA ALA 24 -2.106 1.119 16.878 169 HB1 ALA 24 HB1 ALA 24 -3.536 2.841 16.812 170 HB2 ALA 24 HB2 ALA 24 -2.087 3.846 16.875 171 HB3 ALA 24 HB3 ALA 24 -2.842 3.486 15.323 172 H PHE 25 H PHE 25 -0.574 2.649 14.073 173 HA PHE 25 HA PHE 25 -2.131 1.632 12.038 174 HB2 PHE 25 HB2 PHE 25 -0.031 3.204 12.001 175 HB3 PHE 25 HB3 PHE 25 0.847 1.705 11.715 176 HD1 PHE 25 HD1 PHE 25 -1.968 0.792 10.249 177 HD2 PHE 25 HD2 PHE 25 1.010 3.791 9.743 178 HE1 PHE 25 HE1 PHE 25 -2.516 0.928 7.855 179 HE2 PHE 25 HE2 PHE 25 0.466 3.932 7.348 180 HZ PHE 25 HZ PHE 25 -1.300 2.501 6.401 181 H VAL 26 H VAL 26 0.780 0.137 13.450 182 HA VAL 26 HA VAL 26 0.553 -2.262 11.946 183 HB VAL 26 HB VAL 26 2.573 -1.215 13.337 184 HG11 VAL 26 HG11 VAL 26 1.601 -3.381 15.188 185 HG12 VAL 26 HG12 VAL 26 2.980 -2.303 15.406 186 HG13 VAL 26 HG13 VAL 26 1.339 -1.663 15.487 187 HG21 VAL 26 HG21 VAL 26 2.575 -4.175 13.327 188 HG22 VAL 26 HG22 VAL 26 2.261 -3.369 11.790 189 HG23 VAL 26 HG23 VAL 26 3.752 -3.038 12.670 190 H SER 27 H SER 27 -0.751 -1.176 14.989 191 HA SER 27 HA SER 27 -1.433 -3.684 16.079 192 HB2 SER 27 HB2 SER 27 -1.979 -0.882 16.661 193 HB3 SER 27 HB3 SER 27 -3.370 -1.913 17.001 194 HG SER 27 HG SER 27 -0.879 -2.810 17.862 195 H LYS 28 H LYS 28 -2.825 -1.792 13.559 196 HA LYS 28 HA LYS 28 -5.445 -2.927 13.652 197 HB2 LYS 28 HB2 LYS 28 -3.936 -1.370 11.559 198 HB3 LYS 28 HB3 LYS 28 -5.560 -1.985 11.275 199 HG2 LYS 28 HG2 LYS 28 -4.813 -0.140 13.534 200 HG3 LYS 28 HG3 LYS 28 -5.489 0.385 11.990 201 HD2 LYS 28 HD2 LYS 28 -6.816 -1.518 13.921 202 HD3 LYS 28 HD3 LYS 28 -7.203 0.195 13.748 203 HE2 LYS 28 HE2 LYS 28 -7.345 -0.776 11.163 204 HE3 LYS 28 HE3 LYS 28 -8.030 -2.078 12.135 205 HZ1 LYS 28 HZ1 LYS 28 -9.890 -0.920 12.311 206 HZ2 LYS 28 HZ2 LYS 28 -9.233 0.329 11.379 207 HZ3 LYS 28 HZ3 LYS 28 -9.065 0.353 13.062 208 H LYS 29 H LYS 29 -2.491 -4.209 12.817 209 HA LYS 29 HA LYS 29 -3.680 -6.109 10.909 210 HB2 LYS 29 HB2 LYS 29 -0.733 -5.791 11.429 211 HB3 LYS 29 HB3 LYS 29 -1.525 -6.508 10.032 212 HG2 LYS 29 HG2 LYS 29 -1.419 -3.590 10.760 213 HG3 LYS 29 HG3 LYS 29 -0.618 -4.388 9.403 214 HD2 LYS 29 HD2 LYS 29 -3.602 -4.154 9.798 215 HD3 LYS 29 HD3 LYS 29 -2.631 -3.182 8.689 216 HE2 LYS 29 HE2 LYS 29 -3.109 -6.155 8.582 217 HE3 LYS 29 HE3 LYS 29 -3.679 -4.940 7.441 218 HZ1 LYS 29 HZ1 LYS 29 -1.778 -6.079 6.545 219 HZ2 LYS 29 HZ2 LYS 29 -0.853 -5.719 7.914 220 HZ3 LYS 29 HZ3 LYS 29 -1.350 -4.476 6.879 221 H ARG 30 H ARG 30 -2.318 -5.765 14.052 222 HA ARG 30 HA ARG 30 -3.140 -8.314 14.896 223 HB2 ARG 30 HB2 ARG 30 -0.872 -9.294 15.341 224 HB3 ARG 30 HB3 ARG 30 -1.325 -9.232 13.643 225 HG2 ARG 30 HG2 ARG 30 -0.007 -6.838 14.059 226 HG3 ARG 30 HG3 ARG 30 0.909 -8.005 15.014 227 HD2 ARG 30 HD2 ARG 30 0.296 -8.076 12.071 228 HD3 ARG 30 HD3 ARG 30 1.874 -8.001 12.854 229 HE ARG 30 HE ARG 30 0.889 -10.333 13.761 230 HH11 ARG 30 HH11 ARG 30 1.149 -8.977 10.565 231 HH12 ARG 30 HH12 ARG 30 1.308 -10.515 9.784 232 HH21 ARG 30 HH21 ARG 30 1.099 -12.364 12.744 233 HH22 ARG 30 HH22 ARG 30 1.279 -12.441 11.024 234 H ALA 31 H ALA 31 -1.645 -8.858 17.037 235 HA ALA 31 HA ALA 31 -1.653 -6.339 18.566 236 HB1 ALA 31 HB1 ALA 31 -1.856 -8.415 20.401 237 HB2 ALA 31 HB2 ALA 31 -3.151 -7.343 19.868 238 HB3 ALA 31 HB3 ALA 31 -2.905 -8.895 19.067 239 H ILE 32 H ILE 32 0.494 -5.797 18.403 240 HA ILE 32 HA ILE 32 2.359 -7.608 19.773 241 HB ILE 32 HB ILE 32 3.013 -6.023 17.287 242 HG12 ILE 32 HG12 ILE 32 1.640 -8.046 16.864 243 HG13 ILE 32 HG13 ILE 32 3.258 -8.173 16.183 244 HG21 ILE 32 HG21 ILE 32 5.043 -7.840 17.774 245 HG22 ILE 32 HG22 ILE 32 5.102 -6.101 18.055 246 HG23 ILE 32 HG23 ILE 32 4.657 -7.192 19.368 247 HD11 ILE 32 HD11 ILE 32 1.972 -9.999 17.837 248 HD12 ILE 32 HD12 ILE 32 3.668 -10.009 17.347 249 HD13 ILE 32 HD13 ILE 32 3.190 -9.232 18.856 250 H LYS 33 H LYS 33 2.607 -6.522 21.645 251 HA LYS 33 HA LYS 33 2.837 -3.641 21.703 252 HB2 LYS 33 HB2 LYS 33 3.166 -4.005 24.162 253 HB3 LYS 33 HB3 LYS 33 1.659 -4.649 23.524 254 HG2 LYS 33 HG2 LYS 33 3.564 -6.716 23.347 255 HG3 LYS 33 HG3 LYS 33 3.732 -5.993 24.949 256 HD2 LYS 33 HD2 LYS 33 1.025 -6.144 24.700 257 HD3 LYS 33 HD3 LYS 33 1.540 -7.578 23.808 258 HE2 LYS 33 HE2 LYS 33 1.236 -8.267 26.050 259 HE3 LYS 33 HE3 LYS 33 2.978 -8.149 25.802 260 HZ1 LYS 33 HZ1 LYS 33 2.896 -5.937 26.843 261 HZ2 LYS 33 HZ2 LYS 33 2.398 -7.165 27.894 262 HZ3 LYS 33 HZ3 LYS 33 1.250 -6.158 27.167 263 H ASN 34 H ASN 34 4.693 -2.830 20.933 264 HA ASN 34 HA ASN 34 7.208 -3.947 21.986 265 HB2 ASN 34 HB2 ASN 34 6.430 -3.203 19.222 266 HB3 ASN 34 HB3 ASN 34 8.056 -2.754 19.725 267 HD21 ASN 34 HD21 ASN 34 5.960 -5.561 20.300 268 HD22 ASN 34 HD22 ASN 34 7.116 -6.740 19.791 269 H GLU 35 H GLU 35 7.683 -2.551 23.594 270 HA GLU 35 HA GLU 35 7.191 0.261 23.410 271 HB2 GLU 35 HB2 GLU 35 7.658 -1.513 25.474 272 HB3 GLU 35 HB3 GLU 35 9.140 -0.571 25.425 273 HG2 GLU 35 HG2 GLU 35 6.491 0.804 25.409 274 HG3 GLU 35 HG3 GLU 35 7.175 0.202 26.918 275 H GLN 36 H GLN 36 10.045 -1.807 23.130 276 HA GLN 36 HA GLN 36 11.889 0.345 22.828 277 HB2 GLN 36 HB2 GLN 36 12.178 -2.278 23.379 278 HB3 GLN 36 HB3 GLN 36 12.558 -2.294 21.662 279 HG2 GLN 36 HG2 GLN 36 13.984 -0.138 22.705 280 HG3 GLN 36 HG3 GLN 36 14.159 -1.432 23.889 281 HE21 GLN 36 HE21 GLN 36 14.900 -0.348 20.699 282 HE22 GLN 36 HE22 GLN 36 15.999 -1.617 20.292 283 H LEU 37 H LEU 37 10.439 -1.947 20.519 284 HA LEU 37 HA LEU 37 11.609 -0.886 18.208 285 HB2 LEU 37 HB2 LEU 37 10.164 -3.047 18.662 286 HB3 LEU 37 HB3 LEU 37 8.854 -2.009 18.102 287 HG LEU 37 HG LEU 37 10.170 -1.637 15.999 288 HD11 LEU 37 HD11 LEU 37 12.377 -2.162 16.603 289 HD12 LEU 37 HD12 LEU 37 11.867 -3.473 15.541 290 HD13 LEU 37 HD13 LEU 37 11.910 -3.719 17.287 291 HD21 LEU 37 HD21 LEU 37 8.365 -3.500 16.559 292 HD22 LEU 37 HD22 LEU 37 9.732 -4.564 16.224 293 HD23 LEU 37 HD23 LEU 37 9.180 -3.423 14.996 294 H LEU 38 H LEU 38 8.635 -0.038 19.906 295 HA LEU 38 HA LEU 38 7.573 1.709 17.980 296 HB2 LEU 38 HB2 LEU 38 6.215 0.913 19.788 297 HB3 LEU 38 HB3 LEU 38 7.289 1.646 20.978 298 HG LEU 38 HG LEU 38 5.013 2.764 20.439 299 HD11 LEU 38 HD11 LEU 38 7.280 4.685 20.277 300 HD12 LEU 38 HD12 LEU 38 7.155 3.633 21.685 301 HD13 LEU 38 HD13 LEU 38 5.831 4.727 21.281 302 HD21 LEU 38 HD21 LEU 38 6.475 4.287 18.370 303 HD22 LEU 38 HD22 LEU 38 4.753 3.938 18.520 304 HD23 LEU 38 HD23 LEU 38 5.852 2.706 17.899 305 H GLN 39 H GLN 39 9.649 2.349 20.794 306 HA GLN 39 HA GLN 39 9.829 5.132 20.426 307 HB2 GLN 39 HB2 GLN 39 10.665 3.395 22.346 308 HB3 GLN 39 HB3 GLN 39 12.193 3.799 21.575 309 HG2 GLN 39 HG2 GLN 39 10.231 5.815 22.642 310 HG3 GLN 39 HG3 GLN 39 11.645 5.226 23.514 311 HE21 GLN 39 HE21 GLN 39 13.735 5.680 22.629 312 HE22 GLN 39 HE22 GLN 39 13.973 7.075 21.640 313 H LEU 40 H LEU 40 12.076 2.533 19.491 314 HA LEU 40 HA LEU 40 13.945 4.169 18.192 315 HB2 LEU 40 HB2 LEU 40 13.807 1.540 18.809 316 HB3 LEU 40 HB3 LEU 40 13.522 1.478 17.071 317 HG LEU 40 HG LEU 40 15.950 2.585 18.476 318 HD11 LEU 40 HD11 LEU 40 15.550 0.048 18.144 319 HD12 LEU 40 HD12 LEU 40 17.107 0.743 17.693 320 HD13 LEU 40 HD13 LEU 40 15.907 0.386 16.450 321 HD21 LEU 40 HD21 LEU 40 14.900 2.999 15.760 322 HD22 LEU 40 HD22 LEU 40 16.598 2.528 15.851 323 HD23 LEU 40 HD23 LEU 40 16.035 3.967 16.702 324 H ILE 41 H ILE 41 11.262 2.262 16.830 325 HA ILE 41 HA ILE 41 11.609 3.082 14.168 326 HB ILE 41 HB ILE 41 9.156 2.106 15.622 327 HG12 ILE 41 HG12 ILE 41 11.043 0.514 15.352 328 HG13 ILE 41 HG13 ILE 41 9.603 0.015 14.471 329 HG21 ILE 41 HG21 ILE 41 8.268 1.692 13.291 330 HG22 ILE 41 HG22 ILE 41 8.296 3.372 13.826 331 HG23 ILE 41 HG23 ILE 41 9.533 2.780 12.716 332 HD11 ILE 41 HD11 ILE 41 11.587 -0.362 13.147 333 HD12 ILE 41 HD12 ILE 41 10.589 0.888 12.404 334 HD13 ILE 41 HD13 ILE 41 12.040 1.334 13.301 335 H PHE 42 H PHE 42 9.915 4.543 16.863 336 HA PHE 42 HA PHE 42 8.351 6.399 15.476 337 HB2 PHE 42 HB2 PHE 42 7.921 6.088 17.794 338 HB3 PHE 42 HB3 PHE 42 9.585 6.466 18.227 339 HD1 PHE 42 HD2 PHE 42 6.987 8.178 16.164 340 HD2 PHE 42 HD1 PHE 42 9.712 8.411 19.425 341 HE1 PHE 42 HE2 PHE 42 6.354 10.529 16.519 342 HE2 PHE 42 HE1 PHE 42 9.084 10.763 19.786 343 HZ PHE 42 HZ PHE 42 7.404 11.825 18.332 344 H LYS 43 H LYS 43 11.598 6.797 16.882 345 HA LYS 43 HA LYS 43 11.953 9.418 15.816 346 HB2 LYS 43 HB2 LYS 43 13.228 7.880 17.724 347 HB3 LYS 43 HB3 LYS 43 14.409 7.956 16.423 348 HG2 LYS 43 HG2 LYS 43 14.771 10.175 16.692 349 HG3 LYS 43 HG3 LYS 43 13.115 10.498 17.207 350 HD2 LYS 43 HD2 LYS 43 14.562 10.851 19.083 351 HD3 LYS 43 HD3 LYS 43 13.646 9.370 19.369 352 HE2 LYS 43 HE2 LYS 43 15.577 8.060 18.566 353 HE3 LYS 43 HE3 LYS 43 16.487 9.556 18.372 354 HZ1 LYS 43 HZ1 LYS 43 16.742 8.172 20.523 355 HZ2 LYS 43 HZ2 LYS 43 15.289 8.906 20.979 356 HZ3 LYS 43 HZ3 LYS 43 16.644 9.857 20.631 357 H SER 44 H SER 44 12.662 6.185 14.706 358 HA SER 44 HA SER 44 14.482 6.886 12.650 359 HB2 SER 44 HB2 SER 44 12.705 4.470 13.032 360 HB3 SER 44 HB3 SER 44 13.874 4.617 11.720 361 HG SER 44 HG SER 44 14.787 5.101 14.306 362 H ILE 45 H ILE 45 10.997 6.157 12.587 363 HA ILE 45 HA ILE 45 10.663 6.693 9.830 364 HB ILE 45 HB ILE 45 8.648 6.704 12.078 365 HG12 ILE 45 HG12 ILE 45 9.346 4.642 9.976 366 HG13 ILE 45 HG13 ILE 45 9.697 4.532 11.697 367 HG21 ILE 45 HG21 ILE 45 7.813 8.065 10.266 368 HG22 ILE 45 HG22 ILE 45 8.211 6.807 9.098 369 HG23 ILE 45 HG23 ILE 45 6.948 6.529 10.296 370 HD11 ILE 45 HD11 ILE 45 6.988 4.499 10.396 371 HD12 ILE 45 HD12 ILE 45 7.807 3.162 11.204 372 HD13 ILE 45 HD13 ILE 45 7.259 4.555 12.137 373 H ASP 46 H ASP 46 10.554 8.703 12.695 374 HA ASP 46 HA ASP 46 9.490 10.987 11.278 375 HB2 ASP 46 HB2 ASP 46 9.291 10.310 13.840 376 HB3 ASP 46 HB3 ASP 46 10.770 11.260 13.958 377 H ALA 47 H ALA 47 10.666 12.324 10.091 378 HA ALA 47 HA ALA 47 13.464 12.116 9.828 379 HB1 ALA 47 HB1 ALA 47 13.317 13.812 8.238 380 HB2 ALA 47 HB2 ALA 47 11.742 13.024 8.156 381 HB3 ALA 47 HB3 ALA 47 11.919 14.552 9.017 382 H ASP 48 H ASP 48 11.410 14.401 11.583 383 HA ASP 48 HA ASP 48 13.827 15.575 12.783 384 HB2 ASP 48 HB2 ASP 48 12.371 17.493 13.387 385 HB3 ASP 48 HB3 ASP 48 12.455 17.223 11.648 386 H GLY 49 H GLY 49 11.127 13.599 13.395 387 HA2 GLY 49 HA2 GLY 49 10.336 12.594 15.300 388 HA3 GLY 49 HA3 GLY 49 11.912 12.943 15.999 389 H ASN 50 H ASN 50 9.684 15.399 14.846 390 HA ASN 50 HA ASN 50 9.706 16.641 17.460 391 HB2 ASN 50 HB2 ASN 50 8.475 18.471 16.341 392 HB3 ASN 50 HB3 ASN 50 9.959 18.053 15.489 393 HD21 ASN 50 HD21 ASN 50 7.897 19.450 14.292 394 HD22 ASN 50 HD22 ASN 50 7.190 18.465 13.060 395 H GLY 51 H GLY 51 8.525 14.955 18.575 396 HA2 GLY 51 HA2 GLY 51 6.604 14.254 19.628 397 HA3 GLY 51 HA3 GLY 51 5.760 15.564 18.815 398 H GLU 52 H GLU 52 6.106 14.883 16.166 399 HA GLU 52 HA GLU 52 5.240 12.140 15.805 400 HB2 GLU 52 HB2 GLU 52 3.202 12.988 14.490 401 HB3 GLU 52 HB3 GLU 52 3.100 12.976 16.244 402 HG2 GLU 52 HG2 GLU 52 2.201 15.024 15.106 403 HG3 GLU 52 HG3 GLU 52 3.385 15.309 16.380 404 H ILE 53 H ILE 53 4.892 11.641 13.463 405 HA ILE 53 HA ILE 53 6.931 13.024 11.898 406 HB ILE 53 HB ILE 53 5.438 10.573 11.008 407 HG12 ILE 53 HG12 ILE 53 7.880 9.730 12.072 408 HG13 ILE 53 HG13 ILE 53 7.226 10.830 13.280 409 HG21 ILE 53 HG21 ILE 53 7.925 12.000 10.246 410 HG22 ILE 53 HG22 ILE 53 7.903 10.243 10.093 411 HG23 ILE 53 HG23 ILE 53 6.711 11.218 9.234 412 HD11 ILE 53 HD11 ILE 53 6.630 8.173 13.038 413 HD12 ILE 53 HD12 ILE 53 5.677 9.368 13.918 414 HD13 ILE 53 HD13 ILE 53 5.255 8.953 12.256 415 H ASP 54 H ASP 54 6.419 14.495 10.429 416 HA ASP 54 HA ASP 54 3.669 14.953 9.699 417 HB2 ASP 54 HB2 ASP 54 6.200 16.328 8.772 418 HB3 ASP 54 HB3 ASP 54 4.559 16.881 8.447 419 H GLN 55 H GLN 55 2.972 15.178 7.450 420 HA GLN 55 HA GLN 55 3.322 12.877 5.958 421 HB2 GLN 55 HB2 GLN 55 2.324 14.181 4.064 422 HB3 GLN 55 HB3 GLN 55 1.412 14.261 5.566 423 HG2 GLN 55 HG2 GLN 55 2.536 16.450 6.025 424 HG3 GLN 55 HG3 GLN 55 3.197 16.374 4.393 425 HE21 GLN 55 HE21 GLN 55 0.036 15.770 5.897 426 HE22 GLN 55 HE22 GLN 55 -0.866 16.742 4.789 427 H ASN 56 H ASN 56 4.900 16.031 5.545 428 HA ASN 56 HA ASN 56 6.368 15.433 3.249 429 HB2 ASN 56 HB2 ASN 56 6.068 17.648 4.769 430 HB3 ASN 56 HB3 ASN 56 7.686 17.160 5.263 431 HD21 ASN 56 HD21 ASN 56 8.951 18.587 4.266 432 HD22 ASN 56 HD22 ASN 56 8.978 18.871 2.562 433 H GLU 57 H GLU 57 7.325 15.164 6.667 434 HA GLU 57 HA GLU 57 9.900 14.160 6.224 435 HB2 GLU 57 HB2 GLU 57 8.068 13.620 8.567 436 HB3 GLU 57 HB3 GLU 57 9.810 13.380 8.546 437 HG2 GLU 57 HG2 GLU 57 10.264 15.614 8.666 438 HG3 GLU 57 HG3 GLU 57 8.747 16.076 7.896 439 H PHE 58 H PHE 58 6.799 12.506 6.609 440 HA PHE 58 HA PHE 58 7.791 9.876 6.647 441 HB2 PHE 58 HB2 PHE 58 5.426 10.721 7.206 442 HB3 PHE 58 HB3 PHE 58 5.124 10.640 5.473 443 HD1 PHE 58 HD2 PHE 58 5.829 8.688 8.498 444 HD2 PHE 58 HD1 PHE 58 4.874 8.540 4.352 445 HE1 PHE 58 HE2 PHE 58 5.300 6.295 8.708 446 HE2 PHE 58 HE1 PHE 58 4.341 6.148 4.557 447 HZ PHE 58 HZ PHE 58 4.555 5.021 6.736 448 H ALA 59 H ALA 59 6.708 11.934 3.975 449 HA ALA 59 HA ALA 59 6.932 10.033 1.924 450 HB1 ALA 59 HB1 ALA 59 5.878 11.778 1.005 451 HB2 ALA 59 HB2 ALA 59 6.622 12.930 2.115 452 HB3 ALA 59 HB3 ALA 59 7.495 12.402 0.676 453 H LYS 60 H LYS 60 9.252 12.516 2.994 454 HA LYS 60 HA LYS 60 11.310 11.774 1.217 455 HB2 LYS 60 HB2 LYS 60 11.191 13.359 3.755 456 HB3 LYS 60 HB3 LYS 60 12.757 12.929 3.078 457 HG2 LYS 60 HG2 LYS 60 12.498 14.282 1.255 458 HG3 LYS 60 HG3 LYS 60 10.737 14.185 1.295 459 HD2 LYS 60 HD2 LYS 60 10.694 16.144 2.345 460 HD3 LYS 60 HD3 LYS 60 11.531 15.399 3.709 461 HE2 LYS 60 HE2 LYS 60 12.906 16.566 1.292 462 HE3 LYS 60 HE3 LYS 60 12.657 17.431 2.809 463 HZ1 LYS 60 HZ1 LYS 60 14.866 16.143 2.344 464 HZ2 LYS 60 HZ2 LYS 60 13.974 14.812 2.889 465 HZ3 LYS 60 HZ3 LYS 60 14.187 16.156 3.894 466 H PHE 61 H PHE 61 10.247 10.456 4.232 467 HA PHE 61 HA PHE 61 12.681 9.028 4.790 468 HB2 PHE 61 HB2 PHE 61 11.484 9.484 6.733 469 HB3 PHE 61 HB3 PHE 61 9.936 9.097 5.990 470 HD1 PHE 61 HD1 PHE 61 13.152 7.260 6.465 471 HD2 PHE 61 HD2 PHE 61 8.928 7.302 6.985 472 HE1 PHE 61 HE1 PHE 61 13.254 5.004 7.443 473 HE2 PHE 61 HE2 PHE 61 9.022 5.046 7.964 474 HZ PHE 61 HZ PHE 61 11.187 3.895 8.194 475 H TYR 62 H TYR 62 9.608 8.344 3.237 476 HA TYR 62 HA TYR 62 9.784 5.557 3.095 477 HB2 TYR 62 HB2 TYR 62 7.719 6.671 2.551 478 HB3 TYR 62 HB3 TYR 62 8.480 7.540 1.224 479 HD1 TYR 62 HD1 TYR 62 7.371 4.201 2.364 480 HD2 TYR 62 HD2 TYR 62 8.685 6.556 -0.927 481 HE1 TYR 62 HE1 TYR 62 6.723 2.397 0.823 482 HE2 TYR 62 HE2 TYR 62 8.041 4.759 -2.478 483 HH TYR 62 HH TYR 62 7.648 1.770 -1.765 484 H GLY 63 H GLY 63 11.269 4.325 2.166 485 HA2 GLY 63 HA2 GLY 63 12.598 3.482 0.456 486 HA3 GLY 63 HA3 GLY 63 12.199 4.895 -0.510 487 H SER 64 H SER 64 13.164 5.963 2.469 488 HA SER 64 HA SER 64 15.797 6.668 1.423 489 HB2 SER 64 HB2 SER 64 14.384 8.473 2.316 490 HB3 SER 64 HB3 SER 64 14.337 7.665 3.883 491 HG SER 64 HG SER 64 16.236 8.447 4.317 492 H ILE 65 H ILE 65 15.110 3.969 2.476 493 HA ILE 65 HA ILE 65 16.716 3.796 4.902 494 HB ILE 65 HB ILE 65 15.519 1.447 3.464 495 HG12 ILE 65 HG12 ILE 65 13.688 2.014 5.399 496 HG13 ILE 65 HG13 ILE 65 14.136 3.636 4.881 497 HG21 ILE 65 HG21 ILE 65 16.491 2.041 6.224 498 HG22 ILE 65 HG22 ILE 65 15.283 0.782 5.969 499 HG23 ILE 65 HG23 ILE 65 16.854 0.670 5.177 500 HD11 ILE 65 HD11 ILE 65 13.766 2.422 2.495 501 HD12 ILE 65 HD12 ILE 65 12.592 1.568 3.497 502 HD13 ILE 65 HD13 ILE 65 12.525 3.325 3.364 503 H GLN 66 H GLN 66 17.681 4.322 2.015 504 HA GLN 66 HA GLN 66 19.219 2.127 1.175 505 HB2 GLN 66 HB2 GLN 66 19.091 5.008 0.569 506 HB3 GLN 66 HB3 GLN 66 20.653 4.257 0.271 507 HG2 GLN 66 HG2 GLN 66 18.715 2.524 -0.798 508 HG3 GLN 66 HG3 GLN 66 18.269 4.155 -1.295 509 HE21 GLN 66 HE21 GLN 66 20.722 5.337 -1.550 510 HE22 GLN 66 HE22 GLN 66 21.600 4.587 -2.835 Start of MODEL 7 1 H1 MET 1 H MET 1 1.748 5.615 -6.274 2 HA MET 1 HA MET 1 1.659 7.005 -4.461 3 HB2 MET 1 HB2 MET 1 -1.342 6.689 -4.501 4 HB3 MET 1 HB3 MET 1 -0.411 7.966 -3.729 5 HG2 MET 1 HG2 MET 1 -0.709 9.180 -5.550 6 HG3 MET 1 HG3 MET 1 0.342 8.052 -6.404 7 HE1 MET 1 HE1 MET 1 -1.434 8.596 -9.004 8 HE2 MET 1 HE2 MET 1 -2.945 9.236 -8.358 9 HE3 MET 1 HE3 MET 1 -1.401 9.809 -7.724 10 H ALA 2 H ALA 2 2.452 6.100 -2.688 11 HA ALA 2 HA ALA 2 0.821 4.082 -1.290 12 HB1 ALA 2 HB1 ALA 2 2.950 3.282 -2.541 13 HB2 ALA 2 HB2 ALA 2 3.808 4.004 -1.179 14 HB3 ALA 2 HB3 ALA 2 2.640 2.711 -0.902 15 H GLU 3 H GLU 3 1.157 7.034 -0.945 16 HA GLU 3 HA GLU 3 2.219 7.026 1.805 17 HB2 GLU 3 HB2 GLU 3 1.979 9.354 -0.111 18 HB3 GLU 3 HB3 GLU 3 2.602 9.439 1.531 19 HG2 GLU 3 HG2 GLU 3 4.611 9.133 0.649 20 HG3 GLU 3 HG3 GLU 3 4.128 7.461 0.371 21 H ALA 4 H ALA 4 -0.529 7.510 -0.179 22 HA ALA 4 HA ALA 4 -2.084 9.287 1.257 23 HB1 ALA 4 HB1 ALA 4 -2.738 6.928 -0.455 24 HB2 ALA 4 HB2 ALA 4 -4.024 7.782 0.401 25 HB3 ALA 4 HB3 ALA 4 -3.010 8.644 -0.757 26 H LEU 5 H LEU 5 -1.171 6.036 2.049 27 HA LEU 5 HA LEU 5 -3.198 5.407 3.889 28 HB2 LEU 5 HB2 LEU 5 -0.377 4.493 4.264 29 HB3 LEU 5 HB3 LEU 5 -1.880 3.614 4.543 30 HG LEU 5 HG LEU 5 -0.567 4.208 1.895 31 HD11 LEU 5 HD11 LEU 5 -0.263 1.873 1.721 32 HD12 LEU 5 HD12 LEU 5 -1.297 1.558 3.114 33 HD13 LEU 5 HD13 LEU 5 0.278 2.318 3.340 34 HD21 LEU 5 HD21 LEU 5 -2.701 4.332 1.164 35 HD22 LEU 5 HD22 LEU 5 -3.352 3.495 2.573 36 HD23 LEU 5 HD23 LEU 5 -2.602 2.575 1.267 37 H PHE 6 H PHE 6 -0.177 7.182 4.229 38 HA PHE 6 HA PHE 6 -0.114 7.340 7.031 39 HB2 PHE 6 HB2 PHE 6 1.870 7.962 5.946 40 HB3 PHE 6 HB3 PHE 6 1.033 9.044 4.838 41 HD1 PHE 6 HD2 PHE 6 0.112 11.205 5.712 42 HD2 PHE 6 HD1 PHE 6 2.722 8.734 7.992 43 HE1 PHE 6 HE2 PHE 6 0.626 13.109 7.183 44 HE2 PHE 6 HE1 PHE 6 3.239 10.633 9.467 45 HZ PHE 6 HZ PHE 6 2.191 12.825 9.063 46 H LYS 7 H LYS 7 -1.463 9.581 4.624 47 HA LYS 7 HA LYS 7 -2.522 11.355 6.609 48 HB2 LYS 7 HB2 LYS 7 -2.989 11.125 3.634 49 HB3 LYS 7 HB3 LYS 7 -3.711 12.377 4.636 50 HG2 LYS 7 HG2 LYS 7 -1.404 13.073 5.289 51 HG3 LYS 7 HG3 LYS 7 -0.786 11.933 4.094 52 HD2 LYS 7 HD2 LYS 7 -2.432 13.209 2.494 53 HD3 LYS 7 HD3 LYS 7 -2.271 14.490 3.696 54 HE2 LYS 7 HE2 LYS 7 -0.315 15.077 2.825 55 HE3 LYS 7 HE3 LYS 7 0.319 13.461 3.135 56 HZ1 LYS 7 HZ1 LYS 7 -1.165 13.068 0.932 57 HZ2 LYS 7 HZ2 LYS 7 0.498 13.375 0.920 58 HZ3 LYS 7 HZ3 LYS 7 -0.596 14.638 0.663 59 H GLU 8 H GLU 8 -3.659 8.540 4.927 60 HA GLU 8 HA GLU 8 -6.435 8.926 5.282 61 HB2 GLU 8 HB2 GLU 8 -5.408 7.280 3.714 62 HB3 GLU 8 HB3 GLU 8 -4.943 6.304 5.100 63 HG2 GLU 8 HG2 GLU 8 -7.079 5.618 5.516 64 HG3 GLU 8 HG3 GLU 8 -7.800 7.059 4.803 65 H ILE 9 H ILE 9 -3.971 7.322 7.249 66 HA ILE 9 HA ILE 9 -5.760 6.339 9.218 67 HB ILE 9 HB ILE 9 -2.795 6.882 9.352 68 HG12 ILE 9 HG12 ILE 9 -3.530 5.131 7.755 69 HG13 ILE 9 HG13 ILE 9 -2.570 4.479 9.079 70 HG21 ILE 9 HG21 ILE 9 -2.911 5.321 11.344 71 HG22 ILE 9 HG22 ILE 9 -3.528 6.954 11.590 72 HG23 ILE 9 HG23 ILE 9 -4.649 5.615 11.348 73 HD11 ILE 9 HD11 ILE 9 -4.191 3.073 9.599 74 HD12 ILE 9 HD12 ILE 9 -5.333 4.405 9.789 75 HD13 ILE 9 HD13 ILE 9 -5.105 3.657 8.208 76 H ASP 10 H ASP 10 -4.312 9.421 8.651 77 HA ASP 10 HA ASP 10 -4.624 10.408 11.330 78 HB2 ASP 10 HB2 ASP 10 -3.812 11.566 8.702 79 HB3 ASP 10 HB3 ASP 10 -4.351 12.669 9.965 80 H VAL 11 H VAL 11 -6.894 9.701 11.528 81 HA VAL 11 HA VAL 11 -8.985 10.803 10.011 82 HB VAL 11 HB VAL 11 -9.156 10.006 12.917 83 HG11 VAL 11 HG11 VAL 11 -11.464 9.215 11.764 84 HG12 VAL 11 HG12 VAL 11 -11.242 10.780 12.550 85 HG13 VAL 11 HG13 VAL 11 -11.098 10.643 10.797 86 HG21 VAL 11 HG21 VAL 11 -9.846 7.765 11.946 87 HG22 VAL 11 HG22 VAL 11 -9.142 8.319 10.427 88 HG23 VAL 11 HG23 VAL 11 -8.130 8.162 11.862 89 H ASN 12 H ASN 12 -6.963 12.192 12.395 90 HA ASN 12 HA ASN 12 -8.816 14.268 13.172 91 HB2 ASN 12 HB2 ASN 12 -6.683 15.213 14.273 92 HB3 ASN 12 HB3 ASN 12 -7.325 13.694 14.892 93 HD21 ASN 12 HD21 ASN 12 -5.234 13.275 15.735 94 HD22 ASN 12 HD22 ASN 12 -3.977 12.677 14.712 95 H GLY 13 H GLY 13 -7.151 13.713 10.417 96 HA2 GLY 13 HA2 GLY 13 -6.403 15.017 8.678 97 HA3 GLY 13 HA3 GLY 13 -7.615 16.160 9.234 98 H ASP 14 H ASP 14 -4.596 15.052 10.747 99 HA ASP 14 HA ASP 14 -3.793 17.872 10.974 100 HB2 ASP 14 HB2 ASP 14 -2.260 17.047 12.775 101 HB3 ASP 14 HB3 ASP 14 -3.969 16.806 13.124 102 H GLY 15 H GLY 15 -3.073 14.961 9.380 103 HA2 GLY 15 HA2 GLY 15 -1.466 14.459 7.813 104 HA3 GLY 15 HA3 GLY 15 -0.956 16.138 7.894 105 H ALA 16 H ALA 16 -0.988 14.622 10.921 106 HA ALA 16 HA ALA 16 1.843 13.867 10.711 107 HB1 ALA 16 HB1 ALA 16 1.837 14.925 13.180 108 HB2 ALA 16 HB2 ALA 16 2.293 15.829 11.735 109 HB3 ALA 16 HB3 ALA 16 0.664 15.984 12.394 110 H VAL 17 H VAL 17 2.453 12.130 11.923 111 HA VAL 17 HA VAL 17 0.388 10.908 13.636 112 HB VAL 17 HB VAL 17 1.220 8.693 12.946 113 HG11 VAL 17 HG11 VAL 17 0.523 10.136 10.423 114 HG12 VAL 17 HG12 VAL 17 -0.047 8.575 11.018 115 HG13 VAL 17 HG13 VAL 17 -0.637 10.067 11.749 116 HG21 VAL 17 HG21 VAL 17 3.305 8.673 12.119 117 HG22 VAL 17 HG22 VAL 17 2.530 9.047 10.579 118 HG23 VAL 17 HG23 VAL 17 3.205 10.345 11.565 119 H SER 18 H SER 18 1.007 10.751 15.678 120 HA SER 18 HA SER 18 3.796 11.050 16.394 121 HB2 SER 18 HB2 SER 18 2.405 10.545 18.739 122 HB3 SER 18 HB3 SER 18 2.768 12.138 18.076 123 HG SER 18 HG SER 18 0.722 12.385 17.725 124 H TYR 19 H TYR 19 4.431 9.598 18.411 125 HA TYR 19 HA TYR 19 5.074 7.097 17.517 126 HB2 TYR 19 HB2 TYR 19 5.451 6.481 19.887 127 HB3 TYR 19 HB3 TYR 19 6.111 8.064 19.489 128 HD1 TYR 19 HD2 TYR 19 4.918 10.119 20.252 129 HD2 TYR 19 HD1 TYR 19 3.757 6.232 21.535 130 HE1 TYR 19 HE2 TYR 19 3.661 11.116 22.116 131 HE2 TYR 19 HE1 TYR 19 2.497 7.218 23.403 132 HH TYR 19 HH TYR 19 2.372 10.739 23.878 133 H GLU 20 H GLU 20 2.232 7.999 19.440 134 HA GLU 20 HA GLU 20 1.178 5.437 19.804 135 HB2 GLU 20 HB2 GLU 20 0.254 8.180 20.095 136 HB3 GLU 20 HB3 GLU 20 -1.034 7.105 19.569 137 HG2 GLU 20 HG2 GLU 20 -0.060 5.601 21.521 138 HG3 GLU 20 HG3 GLU 20 0.462 7.173 22.123 139 H GLU 21 H GLU 21 0.535 7.816 17.240 140 HA GLU 21 HA GLU 21 -1.367 6.382 15.813 141 HB2 GLU 21 HB2 GLU 21 0.739 8.314 14.836 142 HB3 GLU 21 HB3 GLU 21 -0.567 7.705 13.830 143 HG2 GLU 21 HG2 GLU 21 -1.986 8.613 15.919 144 HG3 GLU 21 HG3 GLU 21 -0.610 9.712 15.982 145 H VAL 22 H VAL 22 2.163 6.258 15.620 146 HA VAL 22 HA VAL 22 2.369 4.547 13.407 147 HB VAL 22 HB VAL 22 4.229 4.921 15.754 148 HG11 VAL 22 HG11 VAL 22 4.895 2.852 14.952 149 HG12 VAL 22 HG12 VAL 22 4.484 3.253 13.283 150 HG13 VAL 22 HG13 VAL 22 5.913 3.962 14.036 151 HG21 VAL 22 HG21 VAL 22 3.596 6.593 13.619 152 HG22 VAL 22 HG22 VAL 22 4.977 6.738 14.706 153 HG23 VAL 22 HG23 VAL 22 5.142 5.863 13.183 154 H LYS 23 H LYS 23 2.538 3.762 16.882 155 HA LYS 23 HA LYS 23 2.730 1.005 16.650 156 HB2 LYS 23 HB2 LYS 23 2.176 2.908 18.736 157 HB3 LYS 23 HB3 LYS 23 1.127 1.508 18.916 158 HG2 LYS 23 HG2 LYS 23 4.051 1.120 18.465 159 HG3 LYS 23 HG3 LYS 23 3.452 1.549 20.069 160 HD2 LYS 23 HD2 LYS 23 2.426 -0.783 18.456 161 HD3 LYS 23 HD3 LYS 23 3.700 -0.910 19.671 162 HE2 LYS 23 HE2 LYS 23 1.308 0.480 20.613 163 HE3 LYS 23 HE3 LYS 23 1.011 -1.191 20.135 164 HZ1 LYS 23 HZ1 LYS 23 1.618 -1.436 22.314 165 HZ2 LYS 23 HZ2 LYS 23 2.718 -0.151 22.286 166 HZ3 LYS 23 HZ3 LYS 23 3.122 -1.625 21.562 167 H ALA 24 H ALA 24 -0.106 3.080 16.536 168 HA ALA 24 HA ALA 24 -2.045 1.018 16.666 169 HB1 ALA 24 HB1 ALA 24 -3.630 2.682 15.961 170 HB2 ALA 24 HB2 ALA 24 -2.510 3.411 17.113 171 HB3 ALA 24 HB3 ALA 24 -2.334 3.732 15.388 172 H PHE 25 H PHE 25 -0.434 2.653 13.972 173 HA PHE 25 HA PHE 25 -1.877 1.658 11.843 174 HB2 PHE 25 HB2 PHE 25 0.067 3.315 11.814 175 HB3 PHE 25 HB3 PHE 25 1.129 1.910 11.799 176 HD1 PHE 25 HD1 PHE 25 0.434 0.103 9.949 177 HD2 PHE 25 HD2 PHE 25 -0.433 4.267 9.796 178 HE1 PHE 25 HE1 PHE 25 0.217 -0.035 7.501 179 HE2 PHE 25 HE2 PHE 25 -0.652 4.136 7.349 180 HZ PHE 25 HZ PHE 25 -0.328 1.983 6.199 181 H VAL 26 H VAL 26 0.992 0.188 13.361 182 HA VAL 26 HA VAL 26 0.889 -2.178 11.787 183 HB VAL 26 HB VAL 26 2.820 -1.116 13.296 184 HG11 VAL 26 HG11 VAL 26 1.824 -3.369 15.026 185 HG12 VAL 26 HG12 VAL 26 3.170 -2.272 15.341 186 HG13 VAL 26 HG13 VAL 26 1.514 -1.669 15.375 187 HG21 VAL 26 HG21 VAL 26 2.695 -4.100 13.014 188 HG22 VAL 26 HG22 VAL 26 2.832 -3.046 11.606 189 HG23 VAL 26 HG23 VAL 26 4.086 -3.031 12.845 190 H SER 27 H SER 27 -0.567 -1.191 14.795 191 HA SER 27 HA SER 27 -1.231 -3.732 15.812 192 HB2 SER 27 HB2 SER 27 -2.154 -0.940 16.284 193 HB3 SER 27 HB3 SER 27 -3.202 -2.244 16.844 194 HG SER 27 HG SER 27 -0.581 -1.601 17.634 195 H LYS 28 H LYS 28 -2.555 -1.851 13.247 196 HA LYS 28 HA LYS 28 -5.140 -3.064 13.198 197 HB2 LYS 28 HB2 LYS 28 -3.575 -1.418 11.221 198 HB3 LYS 28 HB3 LYS 28 -5.144 -2.103 10.814 199 HG2 LYS 28 HG2 LYS 28 -4.635 -0.254 13.135 200 HG3 LYS 28 HG3 LYS 28 -5.255 0.248 11.560 201 HD2 LYS 28 HD2 LYS 28 -6.572 -1.729 13.423 202 HD3 LYS 28 HD3 LYS 28 -7.057 -0.047 13.200 203 HE2 LYS 28 HE2 LYS 28 -7.183 -0.764 10.673 204 HE3 LYS 28 HE3 LYS 28 -7.352 -2.378 11.363 205 HZ1 LYS 28 HZ1 LYS 28 -9.478 -1.938 11.714 206 HZ2 LYS 28 HZ2 LYS 28 -9.298 -0.365 11.120 207 HZ3 LYS 28 HZ3 LYS 28 -9.059 -0.681 12.765 208 H LYS 29 H LYS 29 -2.120 -4.261 12.517 209 HA LYS 29 HA LYS 29 -3.156 -6.171 10.531 210 HB2 LYS 29 HB2 LYS 29 -0.245 -5.768 11.178 211 HB3 LYS 29 HB3 LYS 29 -0.956 -6.488 9.740 212 HG2 LYS 29 HG2 LYS 29 -0.971 -3.579 10.512 213 HG3 LYS 29 HG3 LYS 29 -0.087 -4.330 9.181 214 HD2 LYS 29 HD2 LYS 29 -3.091 -4.194 9.446 215 HD3 LYS 29 HD3 LYS 29 -2.104 -3.176 8.396 216 HE2 LYS 29 HE2 LYS 29 -1.275 -5.325 7.335 217 HE3 LYS 29 HE3 LYS 29 -2.563 -6.144 8.216 218 HZ1 LYS 29 HZ1 LYS 29 -2.968 -5.321 5.811 219 HZ2 LYS 29 HZ2 LYS 29 -3.206 -3.814 6.540 220 HZ3 LYS 29 HZ3 LYS 29 -4.184 -5.126 6.971 221 H ARG 30 H ARG 30 -1.923 -5.813 13.727 222 HA ARG 30 HA ARG 30 -2.700 -8.397 14.516 223 HB2 ARG 30 HB2 ARG 30 -0.431 -9.313 15.044 224 HB3 ARG 30 HB3 ARG 30 -0.794 -9.226 13.326 225 HG2 ARG 30 HG2 ARG 30 0.420 -6.805 13.854 226 HG3 ARG 30 HG3 ARG 30 1.318 -7.954 14.848 227 HD2 ARG 30 HD2 ARG 30 0.890 -7.998 11.873 228 HD3 ARG 30 HD3 ARG 30 2.412 -7.896 12.754 229 HE ARG 30 HE ARG 30 1.393 -10.270 13.552 230 HH11 ARG 30 HH11 ARG 30 1.972 -8.840 10.432 231 HH12 ARG 30 HH12 ARG 30 2.258 -10.356 9.644 232 HH21 ARG 30 HH21 ARG 30 1.769 -12.273 12.527 233 HH22 ARG 30 HH22 ARG 30 2.142 -12.309 10.837 234 H ALA 31 H ALA 31 -1.271 -8.908 16.713 235 HA ALA 31 HA ALA 31 -1.439 -6.406 18.264 236 HB1 ALA 31 HB1 ALA 31 -2.005 -9.231 19.158 237 HB2 ALA 31 HB2 ALA 31 -2.025 -7.809 20.203 238 HB3 ALA 31 HB3 ALA 31 -3.191 -7.953 18.887 239 H ILE 32 H ILE 32 0.694 -5.790 18.192 240 HA ILE 32 HA ILE 32 2.559 -7.541 19.637 241 HB ILE 32 HB ILE 32 4.388 -6.618 18.133 242 HG12 ILE 32 HG12 ILE 32 2.485 -6.305 15.919 243 HG13 ILE 32 HG13 ILE 32 2.364 -5.044 17.142 244 HG21 ILE 32 HG21 ILE 32 4.039 -8.325 16.439 245 HG22 ILE 32 HG22 ILE 32 3.577 -8.929 18.029 246 HG23 ILE 32 HG23 ILE 32 2.335 -8.436 16.879 247 HD11 ILE 32 HD11 ILE 32 4.137 -5.134 15.031 248 HD12 ILE 32 HD12 ILE 32 4.222 -4.067 16.433 249 HD13 ILE 32 HD13 ILE 32 5.112 -5.590 16.428 250 H LYS 33 H LYS 33 2.688 -6.446 21.515 251 HA LYS 33 HA LYS 33 2.850 -3.557 21.562 252 HB2 LYS 33 HB2 LYS 33 3.309 -5.285 23.966 253 HB3 LYS 33 HB3 LYS 33 2.555 -3.699 23.866 254 HG2 LYS 33 HG2 LYS 33 0.651 -4.850 24.112 255 HG3 LYS 33 HG3 LYS 33 0.834 -5.174 22.386 256 HD2 LYS 33 HD2 LYS 33 0.801 -7.342 22.903 257 HD3 LYS 33 HD3 LYS 33 2.398 -7.109 23.618 258 HE2 LYS 33 HE2 LYS 33 0.028 -6.419 25.267 259 HE3 LYS 33 HE3 LYS 33 0.360 -8.128 24.988 260 HZ1 LYS 33 HZ1 LYS 33 2.361 -6.208 26.044 261 HZ2 LYS 33 HZ2 LYS 33 2.515 -7.889 25.940 262 HZ3 LYS 33 HZ3 LYS 33 1.405 -7.207 27.020 263 H ASN 34 H ASN 34 4.740 -2.726 20.901 264 HA ASN 34 HA ASN 34 7.196 -3.785 22.137 265 HB2 ASN 34 HB2 ASN 34 6.837 -2.676 19.346 266 HB3 ASN 34 HB3 ASN 34 8.397 -3.048 20.074 267 HD21 ASN 34 HD21 ASN 34 8.406 -5.351 21.075 268 HD22 ASN 34 HD22 ASN 34 7.813 -6.594 20.031 269 H GLU 35 H GLU 35 7.528 -2.346 23.744 270 HA GLU 35 HA GLU 35 7.020 0.456 23.453 271 HB2 GLU 35 HB2 GLU 35 7.319 -1.250 25.592 272 HB3 GLU 35 HB3 GLU 35 8.814 -0.328 25.633 273 HG2 GLU 35 HG2 GLU 35 5.999 0.651 25.896 274 HG3 GLU 35 HG3 GLU 35 7.353 0.856 27.006 275 H GLN 36 H GLN 36 9.924 -1.572 23.507 276 HA GLN 36 HA GLN 36 11.744 0.605 23.254 277 HB2 GLN 36 HB2 GLN 36 12.030 -1.984 23.962 278 HB3 GLN 36 HB3 GLN 36 12.575 -2.067 22.292 279 HG2 GLN 36 HG2 GLN 36 13.854 0.165 23.344 280 HG3 GLN 36 HG3 GLN 36 13.923 -1.045 24.624 281 HE21 GLN 36 HE21 GLN 36 14.167 -1.087 21.081 282 HE22 GLN 36 HE22 GLN 36 15.637 -1.993 21.023 283 H LEU 37 H LEU 37 10.523 -1.823 20.956 284 HA LEU 37 HA LEU 37 11.884 -0.893 18.699 285 HB2 LEU 37 HB2 LEU 37 10.380 -3.015 19.144 286 HB3 LEU 37 HB3 LEU 37 9.134 -2.000 18.422 287 HG LEU 37 HG LEU 37 10.597 -1.763 16.412 288 HD11 LEU 37 HD11 LEU 37 12.255 -3.888 16.436 289 HD12 LEU 37 HD12 LEU 37 12.370 -3.376 18.119 290 HD13 LEU 37 HD13 LEU 37 12.757 -2.243 16.825 291 HD21 LEU 37 HD21 LEU 37 9.000 -3.943 17.243 292 HD22 LEU 37 HD22 LEU 37 10.370 -4.600 16.347 293 HD23 LEU 37 HD23 LEU 37 9.328 -3.388 15.601 294 H LEU 38 H LEU 38 8.701 -0.019 19.987 295 HA LEU 38 HA LEU 38 7.882 1.664 17.912 296 HB2 LEU 38 HB2 LEU 38 6.362 0.906 19.633 297 HB3 LEU 38 HB3 LEU 38 7.269 1.787 20.861 298 HG LEU 38 HG LEU 38 5.030 2.752 19.981 299 HD11 LEU 38 HD11 LEU 38 7.277 3.848 21.151 300 HD12 LEU 38 HD12 LEU 38 5.692 4.610 21.012 301 HD13 LEU 38 HD13 LEU 38 6.935 4.932 19.802 302 HD21 LEU 38 HD21 LEU 38 6.690 4.116 17.937 303 HD22 LEU 38 HD22 LEU 38 4.958 3.784 17.956 304 HD23 LEU 38 HD23 LEU 38 6.099 2.497 17.561 305 H GLN 39 H GLN 39 9.709 2.386 20.866 306 HA GLN 39 HA GLN 39 9.890 5.162 20.501 307 HB2 GLN 39 HB2 GLN 39 10.863 3.256 22.341 308 HB3 GLN 39 HB3 GLN 39 12.266 4.137 21.753 309 HG2 GLN 39 HG2 GLN 39 9.925 5.760 22.515 310 HG3 GLN 39 HG3 GLN 39 10.774 4.937 23.823 311 HE21 GLN 39 HE21 GLN 39 11.747 6.600 20.838 312 HE22 GLN 39 HE22 GLN 39 12.906 7.636 21.593 313 H LEU 40 H LEU 40 12.214 2.595 19.661 314 HA LEU 40 HA LEU 40 14.106 4.270 18.442 315 HB2 LEU 40 HB2 LEU 40 14.000 1.641 19.074 316 HB3 LEU 40 HB3 LEU 40 13.804 1.562 17.325 317 HG LEU 40 HG LEU 40 16.132 2.729 18.846 318 HD11 LEU 40 HD11 LEU 40 15.545 0.128 17.836 319 HD12 LEU 40 HD12 LEU 40 16.986 0.694 18.678 320 HD13 LEU 40 HD13 LEU 40 16.888 0.814 16.921 321 HD21 LEU 40 HD21 LEU 40 15.259 3.029 16.029 322 HD22 LEU 40 HD22 LEU 40 16.977 2.764 16.325 323 HD23 LEU 40 HD23 LEU 40 16.156 4.140 17.064 324 H ILE 41 H ILE 41 11.549 2.271 16.970 325 HA ILE 41 HA ILE 41 11.990 3.064 14.322 326 HB ILE 41 HB ILE 41 9.703 1.842 15.780 327 HG12 ILE 41 HG12 ILE 41 10.001 0.094 14.108 328 HG13 ILE 41 HG13 ILE 41 11.139 1.103 13.221 329 HG21 ILE 41 HG21 ILE 41 9.492 3.188 13.105 330 HG22 ILE 41 HG22 ILE 41 8.433 1.859 13.572 331 HG23 ILE 41 HG23 ILE 41 8.437 3.354 14.507 332 HD11 ILE 41 HD11 ILE 41 12.331 -0.562 14.474 333 HD12 ILE 41 HD12 ILE 41 12.657 1.030 15.159 334 HD13 ILE 41 HD13 ILE 41 11.532 -0.063 15.964 335 H PHE 42 H PHE 42 10.211 4.576 16.925 336 HA PHE 42 HA PHE 42 8.738 6.418 15.364 337 HB2 PHE 42 HB2 PHE 42 8.036 6.022 17.616 338 HB3 PHE 42 HB3 PHE 42 9.618 6.460 18.252 339 HD1 PHE 42 HD1 PHE 42 6.878 7.941 16.197 340 HD2 PHE 42 HD2 PHE 42 9.862 8.547 19.171 341 HE1 PHE 42 HE1 PHE 42 6.112 10.261 16.488 342 HE2 PHE 42 HE2 PHE 42 9.100 10.868 19.468 343 HZ PHE 42 HZ PHE 42 7.221 11.727 18.127 344 H LYS 43 H LYS 43 11.944 6.518 16.816 345 HA LYS 43 HA LYS 43 12.421 9.268 16.208 346 HB2 LYS 43 HB2 LYS 43 13.579 7.910 18.006 347 HB3 LYS 43 HB3 LYS 43 14.500 7.140 16.719 348 HG2 LYS 43 HG2 LYS 43 15.924 8.833 16.643 349 HG3 LYS 43 HG3 LYS 43 14.612 9.998 16.453 350 HD2 LYS 43 HD2 LYS 43 15.804 10.576 18.437 351 HD3 LYS 43 HD3 LYS 43 14.264 9.872 18.933 352 HE2 LYS 43 HE2 LYS 43 15.629 8.709 20.326 353 HE3 LYS 43 HE3 LYS 43 15.733 7.653 18.919 354 HZ1 LYS 43 HZ1 LYS 43 17.773 8.798 18.273 355 HZ2 LYS 43 HZ2 LYS 43 17.919 8.105 19.809 356 HZ3 LYS 43 HZ3 LYS 43 17.679 9.773 19.652 357 H SER 44 H SER 44 13.245 6.194 14.666 358 HA SER 44 HA SER 44 14.800 7.375 12.585 359 HB2 SER 44 HB2 SER 44 13.934 4.690 13.356 360 HB3 SER 44 HB3 SER 44 13.974 4.925 11.609 361 HG SER 44 HG SER 44 16.147 5.859 13.081 362 H ILE 45 H ILE 45 11.458 6.245 12.851 363 HA ILE 45 HA ILE 45 10.758 6.661 10.145 364 HB ILE 45 HB ILE 45 9.466 5.309 11.866 365 HG12 ILE 45 HG12 ILE 45 7.397 7.003 10.696 366 HG13 ILE 45 HG13 ILE 45 8.666 6.597 9.545 367 HG21 ILE 45 HG21 ILE 45 8.355 8.022 12.570 368 HG22 ILE 45 HG22 ILE 45 7.792 6.469 13.184 369 HG23 ILE 45 HG23 ILE 45 9.404 7.050 13.599 370 HD11 ILE 45 HD11 ILE 45 8.268 4.173 10.490 371 HD12 ILE 45 HD12 ILE 45 6.688 4.846 10.889 372 HD13 ILE 45 HD13 ILE 45 7.252 4.850 9.218 373 H ASP 46 H ASP 46 10.901 8.774 12.921 374 HA ASP 46 HA ASP 46 9.567 10.932 11.481 375 HB2 ASP 46 HB2 ASP 46 9.343 10.312 14.038 376 HB3 ASP 46 HB3 ASP 46 10.793 11.303 14.182 377 H ALA 47 H ALA 47 10.659 12.347 10.301 378 HA ALA 47 HA ALA 47 13.450 12.308 10.008 379 HB1 ALA 47 HB1 ALA 47 11.798 13.130 8.319 380 HB2 ALA 47 HB2 ALA 47 11.634 14.598 9.282 381 HB3 ALA 47 HB3 ALA 47 13.190 14.186 8.562 382 H ASP 48 H ASP 48 11.326 14.503 11.810 383 HA ASP 48 HA ASP 48 13.711 15.710 13.040 384 HB2 ASP 48 HB2 ASP 48 12.186 17.570 13.689 385 HB3 ASP 48 HB3 ASP 48 12.316 17.354 11.946 386 H GLY 49 H GLY 49 11.054 13.663 13.614 387 HA2 GLY 49 HA2 GLY 49 10.282 12.609 15.501 388 HA3 GLY 49 HA3 GLY 49 11.853 12.968 16.201 389 H ASN 50 H ASN 50 9.584 15.411 15.108 390 HA ASN 50 HA ASN 50 9.575 16.569 17.767 391 HB2 ASN 50 HB2 ASN 50 8.379 18.447 16.689 392 HB3 ASN 50 HB3 ASN 50 9.885 18.058 15.863 393 HD21 ASN 50 HD21 ASN 50 7.953 19.515 14.611 394 HD22 ASN 50 HD22 ASN 50 7.243 18.580 13.343 395 H GLY 51 H GLY 51 8.358 14.859 18.794 396 HA2 GLY 51 HA2 GLY 51 6.406 14.138 19.776 397 HA3 GLY 51 HA3 GLY 51 5.588 15.471 18.976 398 H GLU 52 H GLU 52 6.020 14.858 16.318 399 HA GLU 52 HA GLU 52 5.164 12.129 15.853 400 HB2 GLU 52 HB2 GLU 52 3.152 13.001 14.519 401 HB3 GLU 52 HB3 GLU 52 3.011 12.957 16.271 402 HG2 GLU 52 HG2 GLU 52 2.136 15.024 15.140 403 HG3 GLU 52 HG3 GLU 52 3.277 15.286 16.458 404 H ILE 53 H ILE 53 4.840 11.725 13.476 405 HA ILE 53 HA ILE 53 6.902 13.187 12.002 406 HB ILE 53 HB ILE 53 5.545 10.713 10.990 407 HG12 ILE 53 HG12 ILE 53 7.930 9.904 12.209 408 HG13 ILE 53 HG13 ILE 53 7.148 10.943 13.395 409 HG21 ILE 53 HG21 ILE 53 7.914 10.385 10.089 410 HG22 ILE 53 HG22 ILE 53 6.941 11.671 9.377 411 HG23 ILE 53 HG23 ILE 53 8.190 12.062 10.559 412 HD11 ILE 53 HD11 ILE 53 6.139 9.031 13.990 413 HD12 ILE 53 HD12 ILE 53 5.063 9.419 12.647 414 HD13 ILE 53 HD13 ILE 53 6.391 8.281 12.413 415 H ASP 54 H ASP 54 6.453 14.496 10.347 416 HA ASP 54 HA ASP 54 3.695 15.001 9.659 417 HB2 ASP 54 HB2 ASP 54 6.072 16.272 8.322 418 HB3 ASP 54 HB3 ASP 54 4.461 16.941 8.569 419 H GLN 55 H GLN 55 2.955 15.115 7.420 420 HA GLN 55 HA GLN 55 3.223 12.728 6.050 421 HB2 GLN 55 HB2 GLN 55 2.207 13.946 4.110 422 HB3 GLN 55 HB3 GLN 55 1.334 14.133 5.625 423 HG2 GLN 55 HG2 GLN 55 2.580 16.314 5.917 424 HG3 GLN 55 HG3 GLN 55 3.097 16.131 4.242 425 HE21 GLN 55 HE21 GLN 55 2.007 17.795 3.349 426 HE22 GLN 55 HE22 GLN 55 0.284 17.921 3.310 427 H ASN 56 H ASN 56 4.867 15.815 5.448 428 HA ASN 56 HA ASN 56 6.269 15.063 3.151 429 HB2 ASN 56 HB2 ASN 56 6.048 17.363 4.554 430 HB3 ASN 56 HB3 ASN 56 7.666 16.866 5.039 431 HD21 ASN 56 HD21 ASN 56 7.427 19.153 3.683 432 HD22 ASN 56 HD22 ASN 56 8.007 18.978 2.064 433 H GLU 57 H GLU 57 7.273 14.937 6.563 434 HA GLU 57 HA GLU 57 9.829 13.890 6.155 435 HB2 GLU 57 HB2 GLU 57 8.010 13.353 8.509 436 HB3 GLU 57 HB3 GLU 57 9.763 13.213 8.487 437 HG2 GLU 57 HG2 GLU 57 10.061 15.533 8.361 438 HG3 GLU 57 HG3 GLU 57 8.380 15.808 7.909 439 H PHE 58 H PHE 58 6.722 12.252 6.596 440 HA PHE 58 HA PHE 58 7.707 9.623 6.679 441 HB2 PHE 58 HB2 PHE 58 5.349 10.481 7.236 442 HB3 PHE 58 HB3 PHE 58 5.035 10.373 5.507 443 HD1 PHE 58 HD2 PHE 58 5.166 8.162 4.375 444 HD2 PHE 58 HD1 PHE 58 5.359 8.564 8.608 445 HE1 PHE 58 HE2 PHE 58 4.627 5.775 4.622 446 HE2 PHE 58 HE1 PHE 58 4.822 6.177 8.862 447 HZ PHE 58 HZ PHE 58 4.454 4.778 6.868 448 H ALA 59 H ALA 59 6.641 11.640 3.973 449 HA ALA 59 HA ALA 59 6.831 9.696 1.958 450 HB1 ALA 59 HB1 ALA 59 7.371 11.962 0.600 451 HB2 ALA 59 HB2 ALA 59 5.749 11.475 1.097 452 HB3 ALA 59 HB3 ALA 59 6.659 12.633 2.068 453 H LYS 60 H LYS 60 9.188 12.164 2.982 454 HA LYS 60 HA LYS 60 11.230 11.390 1.209 455 HB2 LYS 60 HB2 LYS 60 11.494 12.715 3.915 456 HB3 LYS 60 HB3 LYS 60 12.726 12.682 2.661 457 HG2 LYS 60 HG2 LYS 60 10.066 13.805 1.974 458 HG3 LYS 60 HG3 LYS 60 11.141 14.759 2.999 459 HD2 LYS 60 HD2 LYS 60 12.035 13.558 0.388 460 HD3 LYS 60 HD3 LYS 60 11.298 15.158 0.493 461 HE2 LYS 60 HE2 LYS 60 13.212 16.063 1.178 462 HE3 LYS 60 HE3 LYS 60 13.379 14.866 2.462 463 HZ1 LYS 60 HZ1 LYS 60 15.155 14.223 1.287 464 HZ2 LYS 60 HZ2 LYS 60 14.631 14.964 -0.139 465 HZ3 LYS 60 HZ3 LYS 60 14.037 13.439 0.288 466 H PHE 61 H PHE 61 10.196 10.117 4.270 467 HA PHE 61 HA PHE 61 12.595 8.619 4.771 468 HB2 PHE 61 HB2 PHE 61 11.345 9.214 6.697 469 HB3 PHE 61 HB3 PHE 61 9.845 8.610 6.004 470 HD1 PHE 61 HD1 PHE 61 13.207 7.037 6.287 471 HD2 PHE 61 HD2 PHE 61 9.096 6.921 7.384 472 HE1 PHE 61 HE1 PHE 61 13.570 4.874 7.403 473 HE2 PHE 61 HE2 PHE 61 9.451 4.759 8.502 474 HZ PHE 61 HZ PHE 61 11.690 3.733 8.513 475 H TYR 62 H TYR 62 9.482 8.013 3.272 476 HA TYR 62 HA TYR 62 9.645 5.208 3.122 477 HB2 TYR 62 HB2 TYR 62 7.534 6.281 2.739 478 HB3 TYR 62 HB3 TYR 62 8.189 7.220 1.402 479 HD1 TYR 62 HD2 TYR 62 8.552 6.198 -0.779 480 HD2 TYR 62 HD1 TYR 62 6.941 3.945 2.451 481 HE1 TYR 62 HE2 TYR 62 7.840 4.453 -2.359 482 HE2 TYR 62 HE1 TYR 62 6.227 2.192 0.880 483 HH TYR 62 HH TYR 62 6.288 1.471 -1.226 484 H GLY 63 H GLY 63 11.048 3.990 2.054 485 HA2 GLY 63 HA2 GLY 63 12.114 3.202 0.108 486 HA3 GLY 63 HA3 GLY 63 11.904 4.787 -0.622 487 H SER 64 H SER 64 13.028 5.245 2.456 488 HA SER 64 HA SER 64 15.724 5.747 1.455 489 HB2 SER 64 HB2 SER 64 14.570 7.563 2.653 490 HB3 SER 64 HB3 SER 64 14.436 6.536 4.080 491 HG SER 64 HG SER 64 16.552 6.729 4.445 492 H ILE 65 H ILE 65 14.643 3.038 2.145 493 HA ILE 65 HA ILE 65 16.274 2.287 4.444 494 HB ILE 65 HB ILE 65 13.928 1.383 4.048 495 HG12 ILE 65 HG12 ILE 65 15.946 -0.832 4.271 496 HG13 ILE 65 HG13 ILE 65 15.834 0.405 5.518 497 HG21 ILE 65 HG21 ILE 65 14.786 0.839 1.557 498 HG22 ILE 65 HG22 ILE 65 15.050 -0.727 2.322 499 HG23 ILE 65 HG23 ILE 65 13.443 -0.001 2.331 500 HD11 ILE 65 HD11 ILE 65 13.225 -0.605 4.923 501 HD12 ILE 65 HD12 ILE 65 14.325 -1.938 5.277 502 HD13 ILE 65 HD13 ILE 65 14.118 -0.631 6.444 503 H GLN 66 H GLN 66 17.224 3.065 1.612 504 HA GLN 66 HA GLN 66 18.347 0.861 0.334 505 HB2 GLN 66 HB2 GLN 66 20.054 2.546 -0.514 506 HB3 GLN 66 HB3 GLN 66 18.364 2.914 -0.832 507 HG2 GLN 66 HG2 GLN 66 18.524 4.846 0.229 508 HG3 GLN 66 HG3 GLN 66 19.156 4.056 1.673 509 HE21 GLN 66 HE21 GLN 66 19.875 6.617 0.486 510 HE22 GLN 66 HE22 GLN 66 21.570 6.538 0.163 Start of MODEL 8 1 H1 MET 1 H MET 1 -1.159 4.567 -1.060 2 HA MET 1 HA MET 1 -0.908 2.741 -3.226 3 HB2 MET 1 HB2 MET 1 -0.253 5.619 -3.873 4 HB3 MET 1 HB3 MET 1 -0.106 4.232 -4.945 5 HG2 MET 1 HG2 MET 1 -2.720 5.173 -3.800 6 HG3 MET 1 HG3 MET 1 -2.083 5.711 -5.352 7 HE1 MET 1 HE1 MET 1 -1.175 2.788 -7.038 8 HE2 MET 1 HE2 MET 1 -2.698 3.245 -7.801 9 HE3 MET 1 HE3 MET 1 -1.605 4.491 -7.200 10 H ALA 2 H ALA 2 0.615 5.471 -1.546 11 HA ALA 2 HA ALA 2 2.905 3.783 -0.934 12 HB1 ALA 2 HB1 ALA 2 4.421 5.758 -1.633 13 HB2 ALA 2 HB2 ALA 2 3.818 4.662 -2.876 14 HB3 ALA 2 HB3 ALA 2 3.056 6.236 -2.642 15 H GLU 3 H GLU 3 2.423 7.306 -0.849 16 HA GLU 3 HA GLU 3 3.011 7.267 2.011 17 HB2 GLU 3 HB2 GLU 3 3.238 9.709 1.781 18 HB3 GLU 3 HB3 GLU 3 4.277 8.841 0.660 19 HG2 GLU 3 HG2 GLU 3 1.614 9.616 -0.346 20 HG3 GLU 3 HG3 GLU 3 2.762 10.920 -0.050 21 H ALA 4 H ALA 4 0.377 7.661 -0.161 22 HA ALA 4 HA ALA 4 -1.374 9.283 1.235 23 HB1 ALA 4 HB1 ALA 4 -3.039 7.382 0.180 24 HB2 ALA 4 HB2 ALA 4 -2.412 8.788 -0.681 25 HB3 ALA 4 HB3 ALA 4 -1.597 7.230 -0.826 26 H LEU 5 H LEU 5 -0.324 6.063 1.955 27 HA LEU 5 HA LEU 5 -2.442 5.224 3.602 28 HB2 LEU 5 HB2 LEU 5 0.398 4.466 4.151 29 HB3 LEU 5 HB3 LEU 5 -1.062 3.487 4.286 30 HG LEU 5 HG LEU 5 0.388 4.275 1.764 31 HD11 LEU 5 HD11 LEU 5 0.104 1.592 1.721 32 HD12 LEU 5 HD12 LEU 5 0.253 1.874 3.455 33 HD13 LEU 5 HD13 LEU 5 1.520 2.427 2.360 34 HD21 LEU 5 HD21 LEU 5 -1.409 2.679 0.777 35 HD22 LEU 5 HD22 LEU 5 -1.809 4.374 1.056 36 HD23 LEU 5 HD23 LEU 5 -2.343 3.142 2.200 37 H PHE 6 H PHE 6 0.455 7.122 4.272 38 HA PHE 6 HA PHE 6 0.244 7.164 7.074 39 HB2 PHE 6 HB2 PHE 6 2.306 7.887 6.252 40 HB3 PHE 6 HB3 PHE 6 1.567 8.947 5.056 41 HD1 PHE 6 HD1 PHE 6 0.528 11.087 5.793 42 HD2 PHE 6 HD2 PHE 6 2.840 8.656 8.413 43 HE1 PHE 6 HE1 PHE 6 0.802 12.998 7.318 44 HE2 PHE 6 HE2 PHE 6 3.117 10.563 9.943 45 HZ PHE 6 HZ PHE 6 2.097 12.737 9.396 46 H LYS 7 H LYS 7 -0.951 9.434 4.617 47 HA LYS 7 HA LYS 7 -2.221 11.142 6.526 48 HB2 LYS 7 HB2 LYS 7 -2.548 10.917 3.529 49 HB3 LYS 7 HB3 LYS 7 -3.268 12.182 4.516 50 HG2 LYS 7 HG2 LYS 7 -0.988 12.861 5.216 51 HG3 LYS 7 HG3 LYS 7 -0.332 11.672 4.089 52 HD2 LYS 7 HD2 LYS 7 -0.533 13.118 2.412 53 HD3 LYS 7 HD3 LYS 7 -2.263 13.275 2.726 54 HE2 LYS 7 HE2 LYS 7 -0.536 14.722 4.606 55 HE3 LYS 7 HE3 LYS 7 -0.447 15.293 2.941 56 HZ1 LYS 7 HZ1 LYS 7 -2.802 15.636 2.923 57 HZ2 LYS 7 HZ2 LYS 7 -2.161 16.424 4.275 58 HZ3 LYS 7 HZ3 LYS 7 -2.974 14.953 4.461 59 H GLU 8 H GLU 8 -3.140 8.298 4.766 60 HA GLU 8 HA GLU 8 -5.949 8.591 4.949 61 HB2 GLU 8 HB2 GLU 8 -4.764 7.011 3.417 62 HB3 GLU 8 HB3 GLU 8 -4.369 6.019 4.813 63 HG2 GLU 8 HG2 GLU 8 -6.364 5.052 4.804 64 HG3 GLU 8 HG3 GLU 8 -7.196 6.601 4.687 65 H ILE 9 H ILE 9 -3.556 7.001 7.018 66 HA ILE 9 HA ILE 9 -5.431 5.939 8.863 67 HB ILE 9 HB ILE 9 -2.492 6.548 9.196 68 HG12 ILE 9 HG12 ILE 9 -3.068 4.848 7.483 69 HG13 ILE 9 HG13 ILE 9 -2.178 4.166 8.839 70 HG21 ILE 9 HG21 ILE 9 -3.416 6.508 11.380 71 HG22 ILE 9 HG22 ILE 9 -4.422 5.110 11.002 72 HG23 ILE 9 HG23 ILE 9 -2.672 4.931 11.120 73 HD11 ILE 9 HD11 ILE 9 -5.042 4.030 9.238 74 HD12 ILE 9 HD12 ILE 9 -4.525 3.208 7.765 75 HD13 ILE 9 HD13 ILE 9 -3.823 2.758 9.319 76 H ASP 10 H ASP 10 -4.038 9.064 8.435 77 HA ASP 10 HA ASP 10 -4.522 9.980 11.118 78 HB2 ASP 10 HB2 ASP 10 -3.763 11.381 8.557 79 HB3 ASP 10 HB3 ASP 10 -4.068 12.256 10.055 80 H VAL 11 H VAL 11 -6.787 9.247 11.166 81 HA VAL 11 HA VAL 11 -8.808 10.297 9.544 82 HB VAL 11 HB VAL 11 -9.112 9.577 12.459 83 HG11 VAL 11 HG11 VAL 11 -11.349 8.723 11.193 84 HG12 VAL 11 HG12 VAL 11 -11.193 10.293 11.984 85 HG13 VAL 11 HG13 VAL 11 -10.955 10.154 10.241 86 HG21 VAL 11 HG21 VAL 11 -8.914 7.837 10.020 87 HG22 VAL 11 HG22 VAL 11 -8.033 7.707 11.542 88 HG23 VAL 11 HG23 VAL 11 -9.749 7.304 11.481 89 H ASN 12 H ASN 12 -6.941 11.773 12.008 90 HA ASN 12 HA ASN 12 -8.859 13.850 12.609 91 HB2 ASN 12 HB2 ASN 12 -6.812 14.845 13.819 92 HB3 ASN 12 HB3 ASN 12 -7.477 13.336 14.436 93 HD21 ASN 12 HD21 ASN 12 -5.463 12.914 15.419 94 HD22 ASN 12 HD22 ASN 12 -4.128 12.323 14.495 95 H GLY 13 H GLY 13 -6.993 13.238 9.991 96 HA2 GLY 13 HA2 GLY 13 -6.115 14.506 8.285 97 HA3 GLY 13 HA3 GLY 13 -7.417 15.619 8.683 98 H ASP 14 H ASP 14 -4.563 14.711 10.585 99 HA ASP 14 HA ASP 14 -3.894 17.559 10.784 100 HB2 ASP 14 HB2 ASP 14 -2.439 16.817 12.689 101 HB3 ASP 14 HB3 ASP 14 -4.156 16.507 12.926 102 H GLY 15 H GLY 15 -2.885 14.670 9.294 103 HA2 GLY 15 HA2 GLY 15 -1.148 14.251 7.847 104 HA3 GLY 15 HA3 GLY 15 -0.750 15.961 7.932 105 H ALA 16 H ALA 16 -0.910 14.335 10.935 106 HA ALA 16 HA ALA 16 1.999 13.909 10.952 107 HB1 ALA 16 HB1 ALA 16 1.949 15.944 12.038 108 HB2 ALA 16 HB2 ALA 16 0.392 15.619 12.801 109 HB3 ALA 16 HB3 ALA 16 1.847 14.811 13.387 110 H VAL 17 H VAL 17 2.697 12.162 12.095 111 HA VAL 17 HA VAL 17 0.657 10.613 13.554 112 HB VAL 17 HB VAL 17 2.766 9.614 11.647 113 HG11 VAL 17 HG11 VAL 17 3.003 7.770 12.859 114 HG12 VAL 17 HG12 VAL 17 1.848 8.367 14.052 115 HG13 VAL 17 HG13 VAL 17 1.282 7.446 12.658 116 HG21 VAL 17 HG21 VAL 17 1.051 8.945 10.298 117 HG22 VAL 17 HG22 VAL 17 -0.067 8.715 11.642 118 HG23 VAL 17 HG23 VAL 17 0.287 10.341 11.059 119 H SER 18 H SER 18 1.158 10.628 15.641 120 HA SER 18 HA SER 18 3.904 10.947 16.512 121 HB2 SER 18 HB2 SER 18 2.330 10.506 18.773 122 HB3 SER 18 HB3 SER 18 2.818 12.072 18.125 123 HG SER 18 HG SER 18 0.870 12.364 17.325 124 H TYR 19 H TYR 19 4.457 9.554 18.565 125 HA TYR 19 HA TYR 19 5.060 7.001 17.769 126 HB2 TYR 19 HB2 TYR 19 5.432 6.485 20.160 127 HB3 TYR 19 HB3 TYR 19 6.116 8.040 19.699 128 HD1 TYR 19 HD2 TYR 19 4.935 10.143 20.365 129 HD2 TYR 19 HD1 TYR 19 3.754 6.327 21.829 130 HE1 TYR 19 HE2 TYR 19 3.695 11.233 22.187 131 HE2 TYR 19 HE1 TYR 19 2.508 7.406 23.655 132 HH TYR 19 HH TYR 19 2.950 10.398 24.664 133 H GLU 20 H GLU 20 2.249 8.046 19.669 134 HA GLU 20 HA GLU 20 1.140 5.508 20.098 135 HB2 GLU 20 HB2 GLU 20 0.121 8.302 20.157 136 HB3 GLU 20 HB3 GLU 20 -1.068 7.009 20.097 137 HG2 GLU 20 HG2 GLU 20 0.822 6.289 22.057 138 HG3 GLU 20 HG3 GLU 20 0.419 7.984 22.322 139 H GLU 21 H GLU 21 0.504 7.891 17.538 140 HA GLU 21 HA GLU 21 -1.468 6.486 16.167 141 HB2 GLU 21 HB2 GLU 21 0.483 8.613 15.454 142 HB3 GLU 21 HB3 GLU 21 -0.298 7.764 14.127 143 HG2 GLU 21 HG2 GLU 21 -2.359 8.382 15.890 144 HG3 GLU 21 HG3 GLU 21 -1.333 9.815 15.861 145 H VAL 22 H VAL 22 2.044 6.256 15.972 146 HA VAL 22 HA VAL 22 2.191 4.579 13.715 147 HB VAL 22 HB VAL 22 4.078 4.930 16.042 148 HG11 VAL 22 HG11 VAL 22 5.619 3.909 14.063 149 HG12 VAL 22 HG12 VAL 22 4.939 2.957 15.385 150 HG13 VAL 22 HG13 VAL 22 4.124 3.006 13.820 151 HG21 VAL 22 HG21 VAL 22 4.325 5.860 13.187 152 HG22 VAL 22 HG22 VAL 22 3.683 6.856 14.493 153 HG23 VAL 22 HG23 VAL 22 5.353 6.296 14.551 154 H LYS 23 H LYS 23 2.383 3.756 17.181 155 HA LYS 23 HA LYS 23 2.492 0.992 16.900 156 HB2 LYS 23 HB2 LYS 23 1.438 2.763 19.094 157 HB3 LYS 23 HB3 LYS 23 1.400 1.011 19.233 158 HG2 LYS 23 HG2 LYS 23 3.992 1.499 18.478 159 HG3 LYS 23 HG3 LYS 23 3.622 2.864 19.535 160 HD2 LYS 23 HD2 LYS 23 4.148 1.464 21.206 161 HD3 LYS 23 HD3 LYS 23 2.554 0.762 20.920 162 HE2 LYS 23 HE2 LYS 23 4.843 -0.201 19.282 163 HE3 LYS 23 HE3 LYS 23 4.738 -0.725 20.961 164 HZ1 LYS 23 HZ1 LYS 23 2.442 -0.968 19.115 165 HZ2 LYS 23 HZ2 LYS 23 2.705 -1.774 20.578 166 HZ3 LYS 23 HZ3 LYS 23 3.626 -2.170 19.217 167 H ALA 24 H ALA 24 -0.270 3.166 16.899 168 HA ALA 24 HA ALA 24 -2.270 1.159 17.064 169 HB1 ALA 24 HB1 ALA 24 -2.779 3.448 17.637 170 HB2 ALA 24 HB2 ALA 24 -2.408 3.975 15.996 171 HB3 ALA 24 HB3 ALA 24 -3.801 2.936 16.294 172 H PHE 25 H PHE 25 -0.745 2.850 14.348 173 HA PHE 25 HA PHE 25 -2.290 1.925 12.260 174 HB2 PHE 25 HB2 PHE 25 -0.367 3.574 12.155 175 HB3 PHE 25 HB3 PHE 25 0.716 2.186 12.123 176 HD1 PHE 25 HD2 PHE 25 -2.199 1.246 10.480 177 HD2 PHE 25 HD1 PHE 25 1.290 3.627 9.958 178 HE1 PHE 25 HE2 PHE 25 -2.467 1.097 8.038 179 HE2 PHE 25 HE1 PHE 25 1.028 3.483 7.516 180 HZ PHE 25 HZ PHE 25 -0.852 2.215 6.553 181 H VAL 26 H VAL 26 0.633 0.392 13.600 182 HA VAL 26 HA VAL 26 0.442 -1.927 11.968 183 HB VAL 26 HB VAL 26 2.445 -0.931 13.419 184 HG11 VAL 26 HG11 VAL 26 2.861 -2.122 15.429 185 HG12 VAL 26 HG12 VAL 26 1.211 -1.506 15.539 186 HG13 VAL 26 HG13 VAL 26 1.495 -3.202 15.150 187 HG21 VAL 26 HG21 VAL 26 1.964 -3.814 12.696 188 HG22 VAL 26 HG22 VAL 26 2.799 -2.584 11.748 189 HG23 VAL 26 HG23 VAL 26 3.527 -3.197 13.233 190 H SER 27 H SER 27 -0.889 -1.018 15.057 191 HA SER 27 HA SER 27 -1.528 -3.568 16.046 192 HB2 SER 27 HB2 SER 27 -2.089 -0.830 16.742 193 HB3 SER 27 HB3 SER 27 -3.557 -1.796 16.892 194 HG SER 27 HG SER 27 -1.125 -2.735 17.951 195 H LYS 28 H LYS 28 -2.926 -1.668 13.537 196 HA LYS 28 HA LYS 28 -5.505 -2.895 13.536 197 HB2 LYS 28 HB2 LYS 28 -3.992 -1.115 11.669 198 HB3 LYS 28 HB3 LYS 28 -5.430 -1.942 11.082 199 HG2 LYS 28 HG2 LYS 28 -6.789 -0.886 12.752 200 HG3 LYS 28 HG3 LYS 28 -5.367 -0.175 13.518 201 HD2 LYS 28 HD2 LYS 28 -4.927 1.088 11.434 202 HD3 LYS 28 HD3 LYS 28 -6.420 0.434 10.756 203 HE2 LYS 28 HE2 LYS 28 -6.820 1.622 13.376 204 HE3 LYS 28 HE3 LYS 28 -6.157 2.771 12.215 205 HZ1 LYS 28 HZ1 LYS 28 -8.249 1.223 11.065 206 HZ2 LYS 28 HZ2 LYS 28 -8.104 2.903 11.188 207 HZ3 LYS 28 HZ3 LYS 28 -8.785 2.019 12.458 208 H LYS 29 H LYS 29 -2.496 -4.070 12.772 209 HA LYS 29 HA LYS 29 -3.562 -5.957 10.780 210 HB2 LYS 29 HB2 LYS 29 -0.644 -5.570 11.400 211 HB3 LYS 29 HB3 LYS 29 -1.374 -6.264 9.959 212 HG2 LYS 29 HG2 LYS 29 -1.368 -3.369 10.776 213 HG3 LYS 29 HG3 LYS 29 -0.506 -4.102 9.421 214 HD2 LYS 29 HD2 LYS 29 -3.505 -3.954 9.733 215 HD3 LYS 29 HD3 LYS 29 -2.527 -2.929 8.681 216 HE2 LYS 29 HE2 LYS 29 -2.938 -5.906 8.478 217 HE3 LYS 29 HE3 LYS 29 -3.487 -4.670 7.348 218 HZ1 LYS 29 HZ1 LYS 29 -0.684 -5.479 7.887 219 HZ2 LYS 29 HZ2 LYS 29 -1.113 -4.142 6.945 220 HZ3 LYS 29 HZ3 LYS 29 -1.554 -5.699 6.452 221 H ARG 30 H ARG 30 -2.218 -5.648 13.952 222 HA ARG 30 HA ARG 30 -3.035 -8.213 14.754 223 HB2 ARG 30 HB2 ARG 30 -0.774 -9.209 15.165 224 HB3 ARG 30 HB3 ARG 30 -1.217 -9.094 13.468 225 HG2 ARG 30 HG2 ARG 30 0.102 -6.719 13.957 226 HG3 ARG 30 HG3 ARG 30 1.008 -7.909 14.893 227 HD2 ARG 30 HD2 ARG 30 0.430 -7.906 11.943 228 HD3 ARG 30 HD3 ARG 30 1.999 -7.861 12.746 229 HE ARG 30 HE ARG 30 0.978 -10.209 13.580 230 HH11 ARG 30 HH11 ARG 30 1.322 -8.771 10.428 231 HH12 ARG 30 HH12 ARG 30 1.491 -10.289 9.611 232 HH21 ARG 30 HH21 ARG 30 1.199 -12.214 12.514 233 HH22 ARG 30 HH22 ARG 30 1.420 -12.248 10.798 234 H ALA 31 H ALA 31 -1.508 -8.792 16.873 235 HA ALA 31 HA ALA 31 -1.529 -6.303 18.453 236 HB1 ALA 31 HB1 ALA 31 -3.162 -7.456 19.519 237 HB2 ALA 31 HB2 ALA 31 -2.531 -9.027 19.026 238 HB3 ALA 31 HB3 ALA 31 -1.778 -8.153 20.361 239 H ILE 32 H ILE 32 0.613 -5.740 18.286 240 HA ILE 32 HA ILE 32 2.502 -7.562 19.607 241 HB ILE 32 HB ILE 32 4.276 -6.656 18.032 242 HG12 ILE 32 HG12 ILE 32 2.290 -6.249 15.914 243 HG13 ILE 32 HG13 ILE 32 2.235 -5.018 17.172 244 HG21 ILE 32 HG21 ILE 32 3.728 -8.901 17.755 245 HG22 ILE 32 HG22 ILE 32 2.099 -8.532 17.190 246 HG23 ILE 32 HG23 ILE 32 3.485 -8.219 16.146 247 HD11 ILE 32 HD11 ILE 32 4.094 -5.341 15.022 248 HD12 ILE 32 HD12 ILE 32 3.913 -4.002 16.156 249 HD13 ILE 32 HD13 ILE 32 4.942 -5.372 16.567 250 H LYS 33 H LYS 33 2.749 -6.508 21.497 251 HA LYS 33 HA LYS 33 2.969 -3.627 21.601 252 HB2 LYS 33 HB2 LYS 33 3.293 -4.027 24.056 253 HB3 LYS 33 HB3 LYS 33 1.789 -4.666 23.404 254 HG2 LYS 33 HG2 LYS 33 3.693 -6.727 23.197 255 HG3 LYS 33 HG3 LYS 33 3.871 -6.025 24.807 256 HD2 LYS 33 HD2 LYS 33 1.107 -6.517 23.868 257 HD3 LYS 33 HD3 LYS 33 2.086 -7.941 24.231 258 HE2 LYS 33 HE2 LYS 33 1.821 -5.632 26.139 259 HE3 LYS 33 HE3 LYS 33 0.691 -6.984 26.132 260 HZ1 LYS 33 HZ1 LYS 33 3.442 -6.874 27.047 261 HZ2 LYS 33 HZ2 LYS 33 3.013 -8.278 26.207 262 HZ3 LYS 33 HZ3 LYS 33 2.155 -7.827 27.594 263 H ASN 34 H ASN 34 4.825 -2.799 20.850 264 HA ASN 34 HA ASN 34 7.341 -3.934 21.885 265 HB2 ASN 34 HB2 ASN 34 6.800 -2.716 19.169 266 HB3 ASN 34 HB3 ASN 34 8.409 -3.098 19.775 267 HD21 ASN 34 HD21 ASN 34 9.071 -4.766 18.612 268 HD22 ASN 34 HD22 ASN 34 8.196 -6.236 18.374 269 H GLU 35 H GLU 35 7.811 -2.572 23.522 270 HA GLU 35 HA GLU 35 7.317 0.243 23.397 271 HB2 GLU 35 HB2 GLU 35 8.221 -1.681 25.377 272 HB3 GLU 35 HB3 GLU 35 9.151 -0.191 25.450 273 HG2 GLU 35 HG2 GLU 35 6.171 -0.491 25.702 274 HG3 GLU 35 HG3 GLU 35 7.312 -0.022 26.960 275 H GLN 36 H GLN 36 10.183 -1.812 23.106 276 HA GLN 36 HA GLN 36 12.015 0.354 22.833 277 HB2 GLN 36 HB2 GLN 36 12.933 -1.686 23.592 278 HB3 GLN 36 HB3 GLN 36 12.193 -2.598 22.282 279 HG2 GLN 36 HG2 GLN 36 13.914 -2.242 20.921 280 HG3 GLN 36 HG3 GLN 36 13.988 -0.527 21.324 281 HE21 GLN 36 HE21 GLN 36 15.339 -3.616 21.814 282 HE22 GLN 36 HE22 GLN 36 16.562 -3.160 22.945 283 H LEU 37 H LEU 37 10.532 -1.894 20.512 284 HA LEU 37 HA LEU 37 11.732 -0.839 18.207 285 HB2 LEU 37 HB2 LEU 37 10.366 -3.007 18.558 286 HB3 LEU 37 HB3 LEU 37 8.969 -1.994 18.208 287 HG LEU 37 HG LEU 37 10.283 -1.393 16.042 288 HD11 LEU 37 HD11 LEU 37 11.367 -4.041 15.872 289 HD12 LEU 37 HD12 LEU 37 12.091 -3.176 17.227 290 HD13 LEU 37 HD13 LEU 37 12.159 -2.487 15.605 291 HD21 LEU 37 HD21 LEU 37 9.333 -4.192 15.944 292 HD22 LEU 37 HD22 LEU 37 8.897 -2.808 14.941 293 HD23 LEU 37 HD23 LEU 37 8.198 -2.986 16.552 294 H LEU 38 H LEU 38 8.778 0.040 19.916 295 HA LEU 38 HA LEU 38 7.733 1.808 17.997 296 HB2 LEU 38 HB2 LEU 38 6.306 1.083 19.730 297 HB3 LEU 38 HB3 LEU 38 7.428 1.618 20.979 298 HG LEU 38 HG LEU 38 5.276 2.971 20.589 299 HD11 LEU 38 HD11 LEU 38 7.731 3.603 21.607 300 HD12 LEU 38 HD12 LEU 38 6.292 4.618 21.708 301 HD13 LEU 38 HD13 LEU 38 7.472 4.889 20.427 302 HD21 LEU 38 HD21 LEU 38 5.009 4.207 18.730 303 HD22 LEU 38 HD22 LEU 38 6.088 3.014 18.009 304 HD23 LEU 38 HD23 LEU 38 6.731 4.553 18.584 305 H GLN 39 H GLN 39 9.792 2.415 20.832 306 HA GLN 39 HA GLN 39 10.009 5.195 20.480 307 HB2 GLN 39 HB2 GLN 39 11.042 3.238 22.253 308 HB3 GLN 39 HB3 GLN 39 12.412 4.150 21.631 309 HG2 GLN 39 HG2 GLN 39 10.485 6.064 22.255 310 HG3 GLN 39 HG3 GLN 39 10.438 4.903 23.580 311 HE21 GLN 39 HE21 GLN 39 11.749 5.343 25.187 312 HE22 GLN 39 HE22 GLN 39 13.244 6.202 25.082 313 H LEU 40 H LEU 40 12.231 2.578 19.531 314 HA LEU 40 HA LEU 40 14.122 4.202 18.252 315 HB2 LEU 40 HB2 LEU 40 13.951 1.570 18.844 316 HB3 LEU 40 HB3 LEU 40 13.670 1.526 17.105 317 HG LEU 40 HG LEU 40 16.107 2.597 18.523 318 HD11 LEU 40 HD11 LEU 40 16.112 0.433 16.477 319 HD12 LEU 40 HD12 LEU 40 15.630 0.052 18.130 320 HD13 LEU 40 HD13 LEU 40 17.226 0.729 17.811 321 HD21 LEU 40 HD21 LEU 40 15.891 4.031 16.706 322 HD22 LEU 40 HD22 LEU 40 15.218 2.776 15.667 323 HD23 LEU 40 HD23 LEU 40 16.931 2.748 16.086 324 H ILE 41 H ILE 41 11.428 2.331 16.858 325 HA ILE 41 HA ILE 41 11.793 3.181 14.208 326 HB ILE 41 HB ILE 41 9.328 2.201 15.640 327 HG12 ILE 41 HG12 ILE 41 11.205 0.602 15.358 328 HG13 ILE 41 HG13 ILE 41 9.768 0.122 14.463 329 HG21 ILE 41 HG21 ILE 41 8.484 3.497 13.854 330 HG22 ILE 41 HG22 ILE 41 9.721 2.908 12.744 331 HG23 ILE 41 HG23 ILE 41 8.446 1.823 13.300 332 HD11 ILE 41 HD11 ILE 41 12.220 1.439 13.323 333 HD12 ILE 41 HD12 ILE 41 11.747 -0.252 13.140 334 HD13 ILE 41 HD13 ILE 41 10.769 1.022 12.413 335 H PHE 42 H PHE 42 10.122 4.632 16.918 336 HA PHE 42 HA PHE 42 8.570 6.513 15.539 337 HB2 PHE 42 HB2 PHE 42 8.137 6.143 17.861 338 HB3 PHE 42 HB3 PHE 42 9.789 6.567 18.300 339 HD1 PHE 42 HD2 PHE 42 7.011 8.149 16.367 340 HD2 PHE 42 HD1 PHE 42 9.993 8.573 19.374 341 HE1 PHE 42 HE2 PHE 42 6.310 10.480 16.728 342 HE2 PHE 42 HE1 PHE 42 9.296 10.903 19.741 343 HZ PHE 42 HZ PHE 42 7.453 11.861 18.416 344 H LYS 43 H LYS 43 11.828 6.822 16.934 345 HA LYS 43 HA LYS 43 12.219 9.476 15.970 346 HB2 LYS 43 HB2 LYS 43 13.480 7.879 17.808 347 HB3 LYS 43 HB3 LYS 43 14.635 7.885 16.480 348 HG2 LYS 43 HG2 LYS 43 14.552 10.372 16.505 349 HG3 LYS 43 HG3 LYS 43 13.541 10.274 17.948 350 HD2 LYS 43 HD2 LYS 43 15.279 9.291 19.215 351 HD3 LYS 43 HD3 LYS 43 16.246 8.967 17.775 352 HE2 LYS 43 HE2 LYS 43 15.554 11.789 18.169 353 HE3 LYS 43 HE3 LYS 43 16.571 11.105 19.436 354 HZ1 LYS 43 HZ1 LYS 43 17.160 11.500 16.592 355 HZ2 LYS 43 HZ2 LYS 43 17.889 10.198 17.388 356 HZ3 LYS 43 HZ3 LYS 43 18.140 11.777 17.943 357 H SER 44 H SER 44 12.900 6.273 14.729 358 HA SER 44 HA SER 44 14.652 7.068 12.645 359 HB2 SER 44 HB2 SER 44 13.048 4.604 13.232 360 HB3 SER 44 HB3 SER 44 13.813 4.788 11.654 361 HG SER 44 HG SER 44 15.786 5.247 12.940 362 H ILE 45 H ILE 45 11.180 6.283 12.671 363 HA ILE 45 HA ILE 45 10.749 6.875 9.940 364 HB ILE 45 HB ILE 45 8.823 6.790 12.261 365 HG12 ILE 45 HG12 ILE 45 9.469 4.834 10.046 366 HG13 ILE 45 HG13 ILE 45 9.841 4.642 11.755 367 HG21 ILE 45 HG21 ILE 45 8.252 7.029 9.310 368 HG22 ILE 45 HG22 ILE 45 7.046 6.683 10.550 369 HG23 ILE 45 HG23 ILE 45 7.898 8.227 10.555 370 HD11 ILE 45 HD11 ILE 45 7.415 4.619 12.229 371 HD12 ILE 45 HD12 ILE 45 7.113 4.674 10.493 372 HD13 ILE 45 HD13 ILE 45 7.947 3.290 11.199 373 H ASP 46 H ASP 46 10.668 8.819 12.859 374 HA ASP 46 HA ASP 46 9.576 11.125 11.490 375 HB2 ASP 46 HB2 ASP 46 9.344 10.387 14.028 376 HB3 ASP 46 HB3 ASP 46 10.821 11.331 14.195 377 H ALA 47 H ALA 47 10.754 12.495 10.344 378 HA ALA 47 HA ALA 47 13.563 12.327 10.131 379 HB1 ALA 47 HB1 ALA 47 13.422 14.160 8.626 380 HB2 ALA 47 HB2 ALA 47 11.983 13.171 8.372 381 HB3 ALA 47 HB3 ALA 47 11.870 14.671 9.293 382 H ASP 48 H ASP 48 11.431 14.538 11.883 383 HA ASP 48 HA ASP 48 13.800 15.770 13.121 384 HB2 ASP 48 HB2 ASP 48 12.269 17.623 13.752 385 HB3 ASP 48 HB3 ASP 48 12.386 17.392 12.009 386 H GLY 49 H GLY 49 11.172 13.688 13.685 387 HA2 GLY 49 HA2 GLY 49 10.402 12.628 15.569 388 HA3 GLY 49 HA3 GLY 49 11.960 13.017 16.281 389 H ASN 50 H ASN 50 9.653 15.413 15.158 390 HA ASN 50 HA ASN 50 9.613 16.595 17.803 391 HB2 ASN 50 HB2 ASN 50 8.362 18.427 16.707 392 HB3 ASN 50 HB3 ASN 50 9.873 18.067 15.878 393 HD21 ASN 50 HD21 ASN 50 7.854 19.452 14.643 394 HD22 ASN 50 HD22 ASN 50 7.179 18.484 13.381 395 H GLY 51 H GLY 51 8.450 14.843 18.839 396 HA2 GLY 51 HA2 GLY 51 6.525 14.068 19.832 397 HA3 GLY 51 HA3 GLY 51 5.670 15.390 19.052 398 H GLU 52 H GLU 52 6.081 14.808 16.386 399 HA GLU 52 HA GLU 52 5.270 12.065 15.913 400 HB2 GLU 52 HB2 GLU 52 3.240 12.926 14.589 401 HB3 GLU 52 HB3 GLU 52 3.106 12.844 16.340 402 HG2 GLU 52 HG2 GLU 52 2.182 14.915 15.291 403 HG3 GLU 52 HG3 GLU 52 3.371 15.181 16.566 404 H ILE 53 H ILE 53 4.961 11.650 13.546 405 HA ILE 53 HA ILE 53 7.002 13.125 12.067 406 HB ILE 53 HB ILE 53 5.584 10.677 11.060 407 HG12 ILE 53 HG12 ILE 53 8.003 9.824 12.152 408 HG13 ILE 53 HG13 ILE 53 7.326 10.889 13.380 409 HG21 ILE 53 HG21 ILE 53 6.896 11.550 9.368 410 HG22 ILE 53 HG22 ILE 53 8.153 12.089 10.481 411 HG23 ILE 53 HG23 ILE 53 7.979 10.374 10.111 412 HD11 ILE 53 HD11 ILE 53 5.225 9.250 12.497 413 HD12 ILE 53 HD12 ILE 53 6.624 8.204 12.736 414 HD13 ILE 53 HD13 ILE 53 6.049 9.223 14.056 415 H ASP 54 H ASP 54 6.510 14.587 10.580 416 HA ASP 54 HA ASP 54 3.777 15.114 9.883 417 HB2 ASP 54 HB2 ASP 54 6.173 16.373 8.564 418 HB3 ASP 54 HB3 ASP 54 4.572 17.063 8.819 419 H GLN 55 H GLN 55 3.011 15.303 7.657 420 HA GLN 55 HA GLN 55 3.234 12.946 6.220 421 HB2 GLN 55 HB2 GLN 55 2.191 14.227 4.334 422 HB3 GLN 55 HB3 GLN 55 1.345 14.370 5.869 423 HG2 GLN 55 HG2 GLN 55 2.575 16.537 6.214 424 HG3 GLN 55 HG3 GLN 55 3.113 16.402 4.541 425 HE21 GLN 55 HE21 GLN 55 1.823 17.130 2.984 426 HE22 GLN 55 HE22 GLN 55 0.185 17.635 3.197 427 H ASN 56 H ASN 56 4.895 16.034 5.690 428 HA ASN 56 HA ASN 56 6.240 15.365 3.338 429 HB2 ASN 56 HB2 ASN 56 6.081 17.608 4.802 430 HB3 ASN 56 HB3 ASN 56 7.673 17.058 5.316 431 HD21 ASN 56 HD21 ASN 56 5.837 17.228 2.280 432 HD22 ASN 56 HD22 ASN 56 7.114 17.930 1.351 433 H GLU 57 H GLU 57 7.339 15.086 6.714 434 HA GLU 57 HA GLU 57 9.851 13.985 6.175 435 HB2 GLU 57 HB2 GLU 57 8.115 13.442 8.589 436 HB3 GLU 57 HB3 GLU 57 9.860 13.253 8.492 437 HG2 GLU 57 HG2 GLU 57 10.241 15.536 8.492 438 HG3 GLU 57 HG3 GLU 57 8.600 15.910 7.971 439 H PHE 58 H PHE 58 6.724 12.417 6.739 440 HA PHE 58 HA PHE 58 7.662 9.763 6.675 441 HB2 PHE 58 HB2 PHE 58 5.365 10.684 7.432 442 HB3 PHE 58 HB3 PHE 58 4.919 10.559 5.734 443 HD1 PHE 58 HD1 PHE 58 4.745 8.385 4.651 444 HD2 PHE 58 HD2 PHE 58 5.661 8.733 8.793 445 HE1 PHE 58 HE1 PHE 58 4.205 6.005 4.967 446 HE2 PHE 58 HE2 PHE 58 5.123 6.353 9.114 447 HZ PHE 58 HZ PHE 58 4.395 4.986 7.200 448 H ALA 59 H ALA 59 6.459 11.909 4.136 449 HA ALA 59 HA ALA 59 6.380 10.057 2.040 450 HB1 ALA 59 HB1 ALA 59 6.973 12.329 0.726 451 HB2 ALA 59 HB2 ALA 59 5.366 11.949 1.347 452 HB3 ALA 59 HB3 ALA 59 6.445 12.994 2.271 453 H LYS 60 H LYS 60 8.978 12.317 2.958 454 HA LYS 60 HA LYS 60 10.817 11.409 1.014 455 HB2 LYS 60 HB2 LYS 60 11.370 12.779 3.651 456 HB3 LYS 60 HB3 LYS 60 12.498 12.639 2.309 457 HG2 LYS 60 HG2 LYS 60 9.856 13.917 1.824 458 HG3 LYS 60 HG3 LYS 60 11.098 14.824 2.691 459 HD2 LYS 60 HD2 LYS 60 11.651 13.462 0.069 460 HD3 LYS 60 HD3 LYS 60 11.001 15.101 0.154 461 HE2 LYS 60 HE2 LYS 60 13.528 14.235 1.547 462 HE3 LYS 60 HE3 LYS 60 13.501 14.937 -0.070 463 HZ1 LYS 60 HZ1 LYS 60 13.946 16.562 1.718 464 HZ2 LYS 60 HZ2 LYS 60 12.401 16.271 2.342 465 HZ3 LYS 60 HZ3 LYS 60 12.576 16.944 0.800 466 H PHE 61 H PHE 61 9.906 10.222 4.131 467 HA PHE 61 HA PHE 61 12.263 8.611 4.508 468 HB2 PHE 61 HB2 PHE 61 11.335 9.149 6.555 469 HB3 PHE 61 HB3 PHE 61 9.683 8.998 5.963 470 HD1 PHE 61 HD1 PHE 61 12.657 6.754 6.245 471 HD2 PHE 61 HD2 PHE 61 8.498 7.314 6.953 472 HE1 PHE 61 HE1 PHE 61 12.522 4.498 7.218 473 HE2 PHE 61 HE2 PHE 61 8.356 5.061 7.929 474 HZ PHE 61 HZ PHE 61 10.370 3.649 8.063 475 H TYR 62 H TYR 62 9.029 8.173 3.230 476 HA TYR 62 HA TYR 62 9.003 5.360 3.144 477 HB2 TYR 62 HB2 TYR 62 6.942 6.547 2.864 478 HB3 TYR 62 HB3 TYR 62 7.569 7.432 1.478 479 HD1 TYR 62 HD2 TYR 62 7.725 6.378 -0.708 480 HD2 TYR 62 HD1 TYR 62 6.205 4.242 2.644 481 HE1 TYR 62 HE2 TYR 62 6.815 4.663 -2.219 482 HE2 TYR 62 HE1 TYR 62 5.293 2.521 1.142 483 HH TYR 62 HH TYR 62 4.893 1.956 -0.984 484 H GLY 63 H GLY 63 10.284 4.044 2.042 485 HA2 GLY 63 HA2 GLY 63 11.340 3.124 0.191 486 HA3 GLY 63 HA3 GLY 63 10.874 4.538 -0.742 487 H SER 64 H SER 64 12.285 5.597 2.061 488 HA SER 64 HA SER 64 14.654 6.440 0.675 489 HB2 SER 64 HB2 SER 64 13.253 7.627 2.590 490 HB3 SER 64 HB3 SER 64 14.378 6.757 3.632 491 HG SER 64 HG SER 64 16.074 7.814 2.664 492 H ILE 65 H ILE 65 14.960 3.890 0.438 493 HA ILE 65 HA ILE 65 16.466 2.803 2.687 494 HB ILE 65 HB ILE 65 14.796 1.433 1.338 495 HG12 ILE 65 HG12 ILE 65 17.507 0.147 1.311 496 HG13 ILE 65 HG13 ILE 65 16.780 0.631 2.839 497 HG21 ILE 65 HG21 ILE 65 16.034 2.366 -0.831 498 HG22 ILE 65 HG22 ILE 65 16.945 0.873 -0.619 499 HG23 ILE 65 HG23 ILE 65 15.192 0.817 -0.810 500 HD11 ILE 65 HD11 ILE 65 14.794 -0.771 1.453 501 HD12 ILE 65 HD12 ILE 65 16.285 -1.692 1.252 502 HD13 ILE 65 HD13 ILE 65 15.705 -1.296 2.869 503 H GLN 66 H GLN 66 17.323 5.018 0.715 504 HA GLN 66 HA GLN 66 19.419 4.135 -0.885 505 HB2 GLN 66 HB2 GLN 66 18.453 6.659 0.127 506 HB3 GLN 66 HB3 GLN 66 20.212 6.629 0.138 507 HG2 GLN 66 HG2 GLN 66 18.890 5.655 -2.315 508 HG3 GLN 66 HG3 GLN 66 18.764 7.380 -1.976 509 HE21 GLN 66 HE21 GLN 66 20.653 8.629 -1.891 510 HE22 GLN 66 HE22 GLN 66 22.125 8.092 -2.618 Start of MODEL 9 1 H1 MET 1 H MET 1 -1.149 5.394 -1.228 2 HA MET 1 HA MET 1 -1.265 2.760 -2.282 3 HB2 MET 1 HB2 MET 1 -0.170 4.849 -4.168 4 HB3 MET 1 HB3 MET 1 -0.292 3.119 -4.459 5 HG2 MET 1 HG2 MET 1 -2.648 4.944 -4.052 6 HG3 MET 1 HG3 MET 1 -2.010 4.469 -5.624 7 HE1 MET 1 HE1 MET 1 -5.083 2.366 -3.209 8 HE2 MET 1 HE2 MET 1 -4.158 3.782 -2.708 9 HE3 MET 1 HE3 MET 1 -5.166 3.853 -4.155 10 H ALA 2 H ALA 2 0.730 5.681 -1.994 11 HA ALA 2 HA ALA 2 2.938 3.974 -1.039 12 HB1 ALA 2 HB1 ALA 2 4.149 6.316 -1.750 13 HB2 ALA 2 HB2 ALA 2 4.061 4.870 -2.755 14 HB3 ALA 2 HB3 ALA 2 2.887 6.168 -2.972 15 H GLU 3 H GLU 3 2.145 7.449 -0.889 16 HA GLU 3 HA GLU 3 2.818 7.393 1.968 17 HB2 GLU 3 HB2 GLU 3 3.003 9.863 1.745 18 HB3 GLU 3 HB3 GLU 3 4.121 8.983 0.713 19 HG2 GLU 3 HG2 GLU 3 1.539 9.673 -0.514 20 HG3 GLU 3 HG3 GLU 3 2.586 11.034 -0.113 21 H ALA 4 H ALA 4 0.216 7.806 -0.234 22 HA ALA 4 HA ALA 4 -1.551 9.423 1.154 23 HB1 ALA 4 HB1 ALA 4 -1.765 7.358 -0.912 24 HB2 ALA 4 HB2 ALA 4 -3.225 7.576 0.056 25 HB3 ALA 4 HB3 ALA 4 -2.525 8.947 -0.807 26 H LEU 5 H LEU 5 -0.512 6.197 1.860 27 HA LEU 5 HA LEU 5 -2.658 5.347 3.467 28 HB2 LEU 5 HB2 LEU 5 0.168 4.565 4.045 29 HB3 LEU 5 HB3 LEU 5 -1.300 3.593 4.139 30 HG LEU 5 HG LEU 5 0.198 4.412 1.655 31 HD11 LEU 5 HD11 LEU 5 0.261 1.901 1.382 32 HD12 LEU 5 HD12 LEU 5 -0.286 1.795 3.054 33 HD13 LEU 5 HD13 LEU 5 1.255 2.567 2.679 34 HD21 LEU 5 HD21 LEU 5 -1.593 2.835 0.617 35 HD22 LEU 5 HD22 LEU 5 -1.981 4.532 0.905 36 HD23 LEU 5 HD23 LEU 5 -2.547 3.294 2.028 37 H PHE 6 H PHE 6 0.221 7.247 4.179 38 HA PHE 6 HA PHE 6 0.001 7.249 6.981 39 HB2 PHE 6 HB2 PHE 6 2.059 8.000 6.175 40 HB3 PHE 6 HB3 PHE 6 1.315 9.071 4.992 41 HD1 PHE 6 HD1 PHE 6 0.257 11.191 5.755 42 HD2 PHE 6 HD2 PHE 6 2.579 8.744 8.350 43 HE1 PHE 6 HE1 PHE 6 0.510 13.084 7.307 44 HE2 PHE 6 HE2 PHE 6 2.836 10.632 9.906 45 HZ PHE 6 HZ PHE 6 1.800 12.804 9.387 46 H LYS 7 H LYS 7 -1.193 9.555 4.556 47 HA LYS 7 HA LYS 7 -2.501 11.205 6.494 48 HB2 LYS 7 HB2 LYS 7 -2.254 11.133 3.543 49 HB3 LYS 7 HB3 LYS 7 -3.689 11.922 4.184 50 HG2 LYS 7 HG2 LYS 7 -0.864 12.612 4.964 51 HG3 LYS 7 HG3 LYS 7 -1.818 13.473 3.753 52 HD2 LYS 7 HD2 LYS 7 -2.551 13.151 6.664 53 HD3 LYS 7 HD3 LYS 7 -1.862 14.604 5.934 54 HE2 LYS 7 HE2 LYS 7 -4.010 14.082 4.313 55 HE3 LYS 7 HE3 LYS 7 -4.607 13.596 5.899 56 HZ1 LYS 7 HZ1 LYS 7 -4.453 16.158 4.901 57 HZ2 LYS 7 HZ2 LYS 7 -3.217 16.066 6.053 58 HZ3 LYS 7 HZ3 LYS 7 -4.811 15.708 6.493 59 H GLU 8 H GLU 8 -3.371 8.412 4.627 60 HA GLU 8 HA GLU 8 -6.182 8.683 4.756 61 HB2 GLU 8 HB2 GLU 8 -4.996 7.151 3.205 62 HB3 GLU 8 HB3 GLU 8 -4.552 6.145 4.576 63 HG2 GLU 8 HG2 GLU 8 -6.399 4.997 4.134 64 HG3 GLU 8 HG3 GLU 8 -7.270 6.356 4.844 65 H ILE 9 H ILE 9 -3.845 6.994 6.823 66 HA ILE 9 HA ILE 9 -5.777 5.932 8.609 67 HB ILE 9 HB ILE 9 -2.818 6.214 8.623 68 HG12 ILE 9 HG12 ILE 9 -3.032 3.775 9.210 69 HG13 ILE 9 HG13 ILE 9 -4.779 3.960 9.089 70 HG21 ILE 9 HG21 ILE 9 -2.825 5.255 10.974 71 HG22 ILE 9 HG22 ILE 9 -3.187 6.974 10.820 72 HG23 ILE 9 HG23 ILE 9 -4.492 5.819 11.086 73 HD11 ILE 9 HD11 ILE 9 -3.990 3.030 7.052 74 HD12 ILE 9 HD12 ILE 9 -4.451 4.702 6.731 75 HD13 ILE 9 HD13 ILE 9 -2.749 4.273 6.896 76 H ASP 10 H ASP 10 -4.130 8.988 8.383 77 HA ASP 10 HA ASP 10 -4.672 9.842 11.055 78 HB2 ASP 10 HB2 ASP 10 -3.774 11.244 8.549 79 HB3 ASP 10 HB3 ASP 10 -4.168 12.150 10.007 80 H VAL 11 H VAL 11 -6.962 9.192 11.057 81 HA VAL 11 HA VAL 11 -8.916 10.408 9.453 82 HB VAL 11 HB VAL 11 -9.306 9.501 12.304 83 HG11 VAL 11 HG11 VAL 11 -11.549 8.816 10.971 84 HG12 VAL 11 HG12 VAL 11 -11.342 10.347 11.826 85 HG13 VAL 11 HG13 VAL 11 -11.083 10.267 10.082 86 HG21 VAL 11 HG21 VAL 11 -9.954 7.313 11.234 87 HG22 VAL 11 HG22 VAL 11 -9.204 7.906 9.752 88 HG23 VAL 11 HG23 VAL 11 -8.232 7.690 11.207 89 H ASN 12 H ASN 12 -7.013 11.671 11.985 90 HA ASN 12 HA ASN 12 -8.872 13.743 12.756 91 HB2 ASN 12 HB2 ASN 12 -6.782 14.619 13.985 92 HB3 ASN 12 HB3 ASN 12 -7.461 13.083 14.514 93 HD21 ASN 12 HD21 ASN 12 -5.441 12.551 15.420 94 HD22 ASN 12 HD22 ASN 12 -4.135 12.006 14.429 95 H GLY 13 H GLY 13 -7.069 13.265 10.066 96 HA2 GLY 13 HA2 GLY 13 -6.189 14.626 8.431 97 HA3 GLY 13 HA3 GLY 13 -7.476 15.723 8.910 98 H ASP 14 H ASP 14 -4.640 14.688 10.764 99 HA ASP 14 HA ASP 14 -3.935 17.509 11.113 100 HB2 ASP 14 HB2 ASP 14 -2.462 16.640 12.950 101 HB3 ASP 14 HB3 ASP 14 -4.179 16.324 13.187 102 H GLY 15 H GLY 15 -2.960 14.709 9.439 103 HA2 GLY 15 HA2 GLY 15 -1.227 14.344 7.974 104 HA3 GLY 15 HA3 GLY 15 -0.860 16.058 8.098 105 H ALA 16 H ALA 16 -0.933 14.334 11.053 106 HA ALA 16 HA ALA 16 1.979 13.952 11.006 107 HB1 ALA 16 HB1 ALA 16 0.453 15.807 12.691 108 HB2 ALA 16 HB2 ALA 16 1.605 14.792 13.560 109 HB3 ALA 16 HB3 ALA 16 2.158 15.820 12.238 110 H VAL 17 H VAL 17 2.726 12.216 12.148 111 HA VAL 17 HA VAL 17 0.719 10.613 13.595 112 HB VAL 17 HB VAL 17 2.790 9.722 11.609 113 HG11 VAL 17 HG11 VAL 17 1.743 7.392 12.585 114 HG12 VAL 17 HG12 VAL 17 3.331 8.045 12.991 115 HG13 VAL 17 HG13 VAL 17 1.954 8.349 14.051 116 HG21 VAL 17 HG21 VAL 17 1.029 8.831 10.428 117 HG22 VAL 17 HG22 VAL 17 0.019 8.644 11.861 118 HG23 VAL 17 HG23 VAL 17 0.262 10.243 11.157 119 H SER 18 H SER 18 1.220 10.653 15.683 120 HA SER 18 HA SER 18 3.967 10.990 16.551 121 HB2 SER 18 HB2 SER 18 2.384 10.559 18.812 122 HB3 SER 18 HB3 SER 18 2.888 12.119 18.163 123 HG SER 18 HG SER 18 0.877 12.464 17.711 124 H TYR 19 H TYR 19 4.506 9.613 18.627 125 HA TYR 19 HA TYR 19 5.138 7.063 17.858 126 HB2 TYR 19 HB2 TYR 19 5.457 6.553 20.258 127 HB3 TYR 19 HB3 TYR 19 6.141 8.112 19.809 128 HD1 TYR 19 HD1 TYR 19 4.933 10.209 20.442 129 HD2 TYR 19 HD2 TYR 19 3.742 6.389 21.889 130 HE1 TYR 19 HE1 TYR 19 3.643 11.296 22.231 131 HE2 TYR 19 HE2 TYR 19 2.448 7.466 23.682 132 HH TYR 19 HH TYR 19 1.478 10.488 23.690 133 H GLU 20 H GLU 20 2.274 8.090 19.685 134 HA GLU 20 HA GLU 20 1.178 5.538 20.086 135 HB2 GLU 20 HB2 GLU 20 0.329 8.297 20.406 136 HB3 GLU 20 HB3 GLU 20 -0.991 7.274 19.857 137 HG2 GLU 20 HG2 GLU 20 -0.153 5.699 21.776 138 HG3 GLU 20 HG3 GLU 20 0.539 7.194 22.405 139 H GLU 21 H GLU 21 0.571 7.937 17.531 140 HA GLU 21 HA GLU 21 -1.367 6.535 16.114 141 HB2 GLU 21 HB2 GLU 21 0.592 8.669 15.453 142 HB3 GLU 21 HB3 GLU 21 -0.156 7.824 14.105 143 HG2 GLU 21 HG2 GLU 21 -2.237 8.450 15.872 144 HG3 GLU 21 HG3 GLU 21 -1.224 9.889 15.776 145 H VAL 22 H VAL 22 2.154 6.342 15.939 146 HA VAL 22 HA VAL 22 2.337 4.664 13.694 147 HB VAL 22 HB VAL 22 4.185 5.065 16.039 148 HG11 VAL 22 HG11 VAL 22 4.892 2.971 15.442 149 HG12 VAL 22 HG12 VAL 22 4.364 3.149 13.768 150 HG13 VAL 22 HG13 VAL 22 5.837 3.948 14.319 151 HG21 VAL 22 HG21 VAL 22 4.330 6.984 14.799 152 HG22 VAL 22 HG22 VAL 22 5.546 6.002 13.983 153 HG23 VAL 22 HG23 VAL 22 3.935 6.169 13.286 154 H LYS 23 H LYS 23 2.500 3.827 17.158 155 HA LYS 23 HA LYS 23 2.630 1.068 16.878 156 HB2 LYS 23 HB2 LYS 23 2.057 2.959 19.008 157 HB3 LYS 23 HB3 LYS 23 1.113 1.485 19.180 158 HG2 LYS 23 HG2 LYS 23 4.044 1.308 18.653 159 HG3 LYS 23 HG3 LYS 23 3.459 1.668 20.279 160 HD2 LYS 23 HD2 LYS 23 2.548 -0.699 18.648 161 HD3 LYS 23 HD3 LYS 23 3.863 -0.762 19.822 162 HE2 LYS 23 HE2 LYS 23 1.398 0.439 20.847 163 HE3 LYS 23 HE3 LYS 23 1.228 -1.250 20.368 164 HZ1 LYS 23 HZ1 LYS 23 3.075 -0.105 22.380 165 HZ2 LYS 23 HZ2 LYS 23 3.278 -1.661 21.751 166 HZ3 LYS 23 HZ3 LYS 23 1.873 -1.273 22.610 167 H ALA 24 H ALA 24 -0.152 3.216 16.827 168 HA ALA 24 HA ALA 24 -2.137 1.192 16.951 169 HB1 ALA 24 HB1 ALA 24 -3.161 3.412 15.536 170 HB2 ALA 24 HB2 ALA 24 -3.403 2.991 17.232 171 HB3 ALA 24 HB3 ALA 24 -2.060 4.035 16.766 172 H PHE 25 H PHE 25 -0.545 2.870 14.271 173 HA PHE 25 HA PHE 25 -2.042 1.957 12.144 174 HB2 PHE 25 HB2 PHE 25 -0.068 3.577 12.122 175 HB3 PHE 25 HB3 PHE 25 0.966 2.154 12.051 176 HD1 PHE 25 HD2 PHE 25 0.225 0.413 10.165 177 HD2 PHE 25 HD1 PHE 25 -0.606 4.588 10.143 178 HE1 PHE 25 HE2 PHE 25 -0.038 0.345 7.719 179 HE2 PHE 25 HE1 PHE 25 -0.872 4.526 7.697 180 HZ PHE 25 HZ PHE 25 -0.586 2.402 6.482 181 H VAL 26 H VAL 26 0.820 0.392 13.576 182 HA VAL 26 HA VAL 26 0.653 -1.926 11.940 183 HB VAL 26 HB VAL 26 2.619 -0.949 13.459 184 HG11 VAL 26 HG11 VAL 26 2.960 -2.159 15.472 185 HG12 VAL 26 HG12 VAL 26 1.314 -1.527 15.535 186 HG13 VAL 26 HG13 VAL 26 1.594 -3.223 15.142 187 HG21 VAL 26 HG21 VAL 26 2.061 -3.692 12.447 188 HG22 VAL 26 HG22 VAL 26 3.266 -2.518 11.919 189 HG23 VAL 26 HG23 VAL 26 3.512 -3.424 13.411 190 H SER 27 H SER 27 -0.761 -0.997 14.986 191 HA SER 27 HA SER 27 -1.449 -3.518 15.989 192 HB2 SER 27 HB2 SER 27 -2.043 -0.777 16.602 193 HB3 SER 27 HB3 SER 27 -3.531 -1.721 16.667 194 HG SER 27 HG SER 27 -1.256 -2.794 17.874 195 H LYS 28 H LYS 28 -2.753 -1.682 13.378 196 HA LYS 28 HA LYS 28 -5.309 -2.952 13.280 197 HB2 LYS 28 HB2 LYS 28 -3.779 -1.055 11.611 198 HB3 LYS 28 HB3 LYS 28 -4.938 -2.055 10.746 199 HG2 LYS 28 HG2 LYS 28 -5.834 0.138 11.479 200 HG3 LYS 28 HG3 LYS 28 -6.743 -1.248 12.086 201 HD2 LYS 28 HD2 LYS 28 -6.218 -0.809 14.232 202 HD3 LYS 28 HD3 LYS 28 -4.564 -0.336 13.834 203 HE2 LYS 28 HE2 LYS 28 -6.134 1.663 12.724 204 HE3 LYS 28 HE3 LYS 28 -6.915 1.306 14.263 205 HZ1 LYS 28 HZ1 LYS 28 -5.386 2.680 15.099 206 HZ2 LYS 28 HZ2 LYS 28 -4.385 2.581 13.738 207 HZ3 LYS 28 HZ3 LYS 28 -4.306 1.388 14.935 208 H LYS 29 H LYS 29 -2.235 -4.064 12.637 209 HA LYS 29 HA LYS 29 -3.176 -6.000 10.635 210 HB2 LYS 29 HB2 LYS 29 -0.303 -5.582 11.424 211 HB3 LYS 29 HB3 LYS 29 -0.939 -6.299 9.950 212 HG2 LYS 29 HG2 LYS 29 -1.003 -3.394 10.730 213 HG3 LYS 29 HG3 LYS 29 -0.061 -4.138 9.437 214 HD2 LYS 29 HD2 LYS 29 -3.073 -4.008 9.573 215 HD3 LYS 29 HD3 LYS 29 -2.043 -2.988 8.566 216 HE2 LYS 29 HE2 LYS 29 -1.237 -4.975 7.385 217 HE3 LYS 29 HE3 LYS 29 -2.261 -5.994 8.396 218 HZ1 LYS 29 HZ1 LYS 29 -2.936 -4.583 6.043 219 HZ2 LYS 29 HZ2 LYS 29 -3.908 -4.049 7.319 220 HZ3 LYS 29 HZ3 LYS 29 -3.865 -5.691 6.920 221 H ARG 30 H ARG 30 -1.981 -5.649 13.870 222 HA ARG 30 HA ARG 30 -2.850 -8.194 14.673 223 HB2 ARG 30 HB2 ARG 30 -0.613 -9.201 15.190 224 HB3 ARG 30 HB3 ARG 30 -0.993 -9.113 13.476 225 HG2 ARG 30 HG2 ARG 30 0.327 -6.739 13.974 226 HG3 ARG 30 HG3 ARG 30 1.191 -7.923 14.956 227 HD2 ARG 30 HD2 ARG 30 0.710 -7.958 11.989 228 HD3 ARG 30 HD3 ARG 30 2.252 -7.911 12.841 229 HE ARG 30 HE ARG 30 1.194 -10.240 13.678 230 HH11 ARG 30 HH11 ARG 30 1.633 -8.853 10.515 231 HH12 ARG 30 HH12 ARG 30 1.815 -10.384 9.725 232 HH21 ARG 30 HH21 ARG 30 1.432 -12.263 12.649 233 HH22 ARG 30 HH22 ARG 30 1.700 -12.323 10.940 234 H ALA 31 H ALA 31 -1.422 -8.758 16.860 235 HA ALA 31 HA ALA 31 -1.476 -6.246 18.403 236 HB1 ALA 31 HB1 ALA 31 -3.268 -7.597 19.149 237 HB2 ALA 31 HB2 ALA 31 -2.255 -9.040 19.198 238 HB3 ALA 31 HB3 ALA 31 -2.000 -7.745 20.366 239 H ILE 32 H ILE 32 0.679 -5.713 18.307 240 HA ILE 32 HA ILE 32 2.490 -7.534 19.736 241 HB ILE 32 HB ILE 32 3.207 -5.964 17.257 242 HG12 ILE 32 HG12 ILE 32 1.897 -8.019 16.821 243 HG13 ILE 32 HG13 ILE 32 3.544 -8.136 16.210 244 HG21 ILE 32 HG21 ILE 32 5.038 -5.988 18.850 245 HG22 ILE 32 HG22 ILE 32 4.902 -7.738 19.008 246 HG23 ILE 32 HG23 ILE 32 5.409 -7.030 17.476 247 HD11 ILE 32 HD11 ILE 32 3.442 -9.137 18.885 248 HD12 ILE 32 HD12 ILE 32 2.202 -9.917 17.902 249 HD13 ILE 32 HD13 ILE 32 3.890 -9.966 17.394 250 H LYS 33 H LYS 33 2.680 -6.452 21.616 251 HA LYS 33 HA LYS 33 2.909 -3.575 21.694 252 HB2 LYS 33 HB2 LYS 33 3.185 -3.951 24.159 253 HB3 LYS 33 HB3 LYS 33 1.695 -4.599 23.484 254 HG2 LYS 33 HG2 LYS 33 3.590 -6.665 23.327 255 HG3 LYS 33 HG3 LYS 33 3.765 -5.942 24.928 256 HD2 LYS 33 HD2 LYS 33 1.057 -6.079 24.687 257 HD3 LYS 33 HD3 LYS 33 1.561 -7.515 23.793 258 HE2 LYS 33 HE2 LYS 33 1.218 -8.135 26.080 259 HE3 LYS 33 HE3 LYS 33 2.949 -8.168 25.753 260 HZ1 LYS 33 HZ1 LYS 33 1.406 -6.240 27.356 261 HZ2 LYS 33 HZ2 LYS 33 2.878 -5.774 26.666 262 HZ3 LYS 33 HZ3 LYS 33 2.828 -7.065 27.757 263 H ASN 34 H ASN 34 4.777 -2.752 20.967 264 HA ASN 34 HA ASN 34 7.273 -3.859 22.075 265 HB2 ASN 34 HB2 ASN 34 6.803 -2.690 19.324 266 HB3 ASN 34 HB3 ASN 34 8.390 -3.087 19.975 267 HD21 ASN 34 HD21 ASN 34 7.253 -4.167 17.626 268 HD22 ASN 34 HD22 ASN 34 7.058 -5.866 17.867 269 H GLU 35 H GLU 35 7.701 -2.457 23.691 270 HA GLU 35 HA GLU 35 7.202 0.352 23.491 271 HB2 GLU 35 HB2 GLU 35 7.598 -1.401 25.571 272 HB3 GLU 35 HB3 GLU 35 9.106 -0.497 25.550 273 HG2 GLU 35 HG2 GLU 35 6.323 0.506 25.993 274 HG3 GLU 35 HG3 GLU 35 7.740 0.673 27.027 275 H GLN 36 H GLN 36 10.082 -1.696 23.319 276 HA GLN 36 HA GLN 36 11.907 0.475 23.027 277 HB2 GLN 36 HB2 GLN 36 12.215 -2.129 23.654 278 HB3 GLN 36 HB3 GLN 36 12.649 -2.183 21.951 279 HG2 GLN 36 HG2 GLN 36 14.009 0.021 22.992 280 HG3 GLN 36 HG3 GLN 36 14.172 -1.252 24.200 281 HE21 GLN 36 HE21 GLN 36 14.074 -1.228 20.654 282 HE22 GLN 36 HE22 GLN 36 15.557 -2.089 20.436 283 H LEU 37 H LEU 37 10.511 -1.865 20.740 284 HA LEU 37 HA LEU 37 11.758 -0.876 18.435 285 HB2 LEU 37 HB2 LEU 37 10.373 -3.034 18.837 286 HB3 LEU 37 HB3 LEU 37 8.998 -2.031 18.382 287 HG LEU 37 HG LEU 37 10.382 -1.531 16.248 288 HD11 LEU 37 HD11 LEU 37 12.010 -3.076 15.603 289 HD12 LEU 37 HD12 LEU 37 11.578 -4.207 16.886 290 HD13 LEU 37 HD13 LEU 37 12.408 -2.702 17.281 291 HD21 LEU 37 HD21 LEU 37 9.494 -3.611 15.195 292 HD22 LEU 37 HD22 LEU 37 8.312 -2.726 16.160 293 HD23 LEU 37 HD23 LEU 37 9.067 -4.185 16.807 294 H LEU 38 H LEU 38 8.741 0.030 20.021 295 HA LEU 38 HA LEU 38 7.760 1.744 18.018 296 HB2 LEU 38 HB2 LEU 38 6.341 0.962 19.801 297 HB3 LEU 38 HB3 LEU 38 7.350 1.762 21.004 298 HG LEU 38 HG LEU 38 5.081 2.815 20.325 299 HD11 LEU 38 HD11 LEU 38 7.068 4.937 20.126 300 HD12 LEU 38 HD12 LEU 38 7.392 3.795 21.430 301 HD13 LEU 38 HD13 LEU 38 5.845 4.638 21.361 302 HD21 LEU 38 HD21 LEU 38 6.617 4.264 18.250 303 HD22 LEU 38 HD22 LEU 38 4.889 3.924 18.356 304 HD23 LEU 38 HD23 LEU 38 6.006 2.665 17.828 305 H GLN 39 H GLN 39 9.747 2.403 20.888 306 HA GLN 39 HA GLN 39 9.940 5.184 20.516 307 HB2 GLN 39 HB2 GLN 39 10.769 3.406 22.436 308 HB3 GLN 39 HB3 GLN 39 12.294 3.911 21.719 309 HG2 GLN 39 HG2 GLN 39 10.196 5.783 22.794 310 HG3 GLN 39 HG3 GLN 39 11.633 5.261 23.671 311 HE21 GLN 39 HE21 GLN 39 10.339 7.513 21.532 312 HE22 GLN 39 HE22 GLN 39 11.806 8.307 21.085 313 H LEU 40 H LEU 40 12.212 2.582 19.645 314 HA LEU 40 HA LEU 40 14.101 4.223 18.376 315 HB2 LEU 40 HB2 LEU 40 13.971 1.600 19.023 316 HB3 LEU 40 HB3 LEU 40 13.735 1.516 17.278 317 HG LEU 40 HG LEU 40 16.113 2.664 18.735 318 HD11 LEU 40 HD11 LEU 40 15.630 0.184 17.120 319 HD12 LEU 40 HD12 LEU 40 16.326 0.339 18.732 320 HD13 LEU 40 HD13 LEU 40 17.247 0.859 17.321 321 HD21 LEU 40 HD21 LEU 40 15.208 2.890 15.910 322 HD22 LEU 40 HD22 LEU 40 16.931 2.691 16.230 323 HD23 LEU 40 HD23 LEU 40 16.057 4.058 16.923 324 H ILE 41 H ILE 41 11.473 2.268 16.974 325 HA ILE 41 HA ILE 41 11.873 3.045 14.311 326 HB ILE 41 HB ILE 41 9.391 2.093 15.733 327 HG12 ILE 41 HG12 ILE 41 11.280 0.498 15.517 328 HG13 ILE 41 HG13 ILE 41 9.857 -0.014 14.616 329 HG21 ILE 41 HG21 ILE 41 9.816 2.676 12.811 330 HG22 ILE 41 HG22 ILE 41 8.509 1.665 13.422 331 HG23 ILE 41 HG23 ILE 41 8.598 3.364 13.885 332 HD11 ILE 41 HD11 ILE 41 11.858 -0.410 13.331 333 HD12 ILE 41 HD12 ILE 41 10.882 0.838 12.557 334 HD13 ILE 41 HD13 ILE 41 12.319 1.285 13.477 335 H PHE 42 H PHE 42 10.119 4.559 16.939 336 HA PHE 42 HA PHE 42 8.599 6.393 15.468 337 HB2 PHE 42 HB2 PHE 42 8.066 6.132 17.764 338 HB3 PHE 42 HB3 PHE 42 9.720 6.468 18.265 339 HD1 PHE 42 HD2 PHE 42 6.922 8.108 16.422 340 HD2 PHE 42 HD1 PHE 42 10.180 8.543 19.125 341 HE1 PHE 42 HE2 PHE 42 6.336 10.477 16.743 342 HE2 PHE 42 HE1 PHE 42 9.600 10.912 19.450 343 HZ PHE 42 HZ PHE 42 7.676 11.882 18.256 344 H LYS 43 H LYS 43 11.814 6.766 16.948 345 HA LYS 43 HA LYS 43 12.215 9.392 15.914 346 HB2 LYS 43 HB2 LYS 43 13.408 7.926 17.865 347 HB3 LYS 43 HB3 LYS 43 14.598 7.781 16.579 348 HG2 LYS 43 HG2 LYS 43 14.895 10.131 16.470 349 HG3 LYS 43 HG3 LYS 43 13.500 10.420 17.511 350 HD2 LYS 43 HD2 LYS 43 15.466 10.715 18.835 351 HD3 LYS 43 HD3 LYS 43 14.712 9.199 19.330 352 HE2 LYS 43 HE2 LYS 43 17.086 8.865 19.152 353 HE3 LYS 43 HE3 LYS 43 16.289 7.988 17.847 354 HZ1 LYS 43 HZ1 LYS 43 16.847 10.516 16.871 355 HZ2 LYS 43 HZ2 LYS 43 17.599 9.063 16.444 356 HZ3 LYS 43 HZ3 LYS 43 18.246 10.020 17.681 357 H SER 44 H SER 44 12.845 6.171 14.750 358 HA SER 44 HA SER 44 14.706 6.886 12.721 359 HB2 SER 44 HB2 SER 44 13.332 4.476 13.610 360 HB3 SER 44 HB3 SER 44 13.454 4.558 11.853 361 HG SER 44 HG SER 44 15.727 5.192 13.337 362 H ILE 45 H ILE 45 11.225 6.142 12.637 363 HA ILE 45 HA ILE 45 10.902 6.700 9.883 364 HB ILE 45 HB ILE 45 8.862 6.707 12.111 365 HG12 ILE 45 HG12 ILE 45 9.573 4.611 10.046 366 HG13 ILE 45 HG13 ILE 45 9.976 4.543 11.759 367 HG21 ILE 45 HG21 ILE 45 7.660 6.129 9.632 368 HG22 ILE 45 HG22 ILE 45 7.409 7.542 10.658 369 HG23 ILE 45 HG23 ILE 45 8.641 7.576 9.395 370 HD11 ILE 45 HD11 ILE 45 7.528 4.575 12.244 371 HD12 ILE 45 HD12 ILE 45 7.247 4.405 10.511 372 HD13 ILE 45 HD13 ILE 45 8.100 3.140 11.395 373 H ASP 46 H ASP 46 10.595 8.669 12.789 374 HA ASP 46 HA ASP 46 9.577 10.959 11.383 375 HB2 ASP 46 HB2 ASP 46 9.365 10.267 13.929 376 HB3 ASP 46 HB3 ASP 46 10.856 11.196 14.072 377 H ALA 47 H ALA 47 10.729 12.334 10.217 378 HA ALA 47 HA ALA 47 13.524 12.163 9.925 379 HB1 ALA 47 HB1 ALA 47 11.906 13.050 8.229 380 HB2 ALA 47 HB2 ALA 47 11.816 14.530 9.185 381 HB3 ALA 47 HB3 ALA 47 13.349 14.036 8.467 382 H ASP 48 H ASP 48 11.475 14.396 11.755 383 HA ASP 48 HA ASP 48 13.898 15.552 12.961 384 HB2 ASP 48 HB2 ASP 48 12.423 17.434 13.643 385 HB3 ASP 48 HB3 ASP 48 12.506 17.224 11.897 386 H GLY 49 H GLY 49 11.220 13.539 13.554 387 HA2 GLY 49 HA2 GLY 49 10.462 12.476 15.441 388 HA3 GLY 49 HA3 GLY 49 12.046 12.812 16.125 389 H ASN 50 H ASN 50 9.791 15.291 15.079 390 HA ASN 50 HA ASN 50 9.838 16.438 17.739 391 HB2 ASN 50 HB2 ASN 50 8.624 18.321 16.693 392 HB3 ASN 50 HB3 ASN 50 10.104 17.924 15.824 393 HD21 ASN 50 HD21 ASN 50 8.061 19.386 14.680 394 HD22 ASN 50 HD22 ASN 50 7.341 18.457 13.413 395 H GLY 51 H GLY 51 8.643 14.707 18.776 396 HA2 GLY 51 HA2 GLY 51 6.716 13.979 19.800 397 HA3 GLY 51 HA3 GLY 51 5.884 15.334 19.050 398 H GLU 52 H GLU 52 6.230 14.768 16.370 399 HA GLU 52 HA GLU 52 5.337 12.055 15.881 400 HB2 GLU 52 HB2 GLU 52 3.294 12.963 14.628 401 HB3 GLU 52 HB3 GLU 52 3.206 12.895 16.382 402 HG2 GLU 52 HG2 GLU 52 2.305 14.982 15.345 403 HG3 GLU 52 HG3 GLU 52 3.535 15.228 16.583 404 H ILE 53 H ILE 53 4.962 11.681 13.515 405 HA ILE 53 HA ILE 53 6.990 13.149 12.006 406 HB ILE 53 HB ILE 53 5.549 10.719 10.996 407 HG12 ILE 53 HG12 ILE 53 7.966 9.840 12.085 408 HG13 ILE 53 HG13 ILE 53 7.277 10.884 13.324 409 HG21 ILE 53 HG21 ILE 53 8.008 10.430 10.104 410 HG22 ILE 53 HG22 ILE 53 6.865 11.503 9.297 411 HG23 ILE 53 HG23 ILE 53 8.076 12.169 10.391 412 HD11 ILE 53 HD11 ILE 53 5.182 9.262 12.395 413 HD12 ILE 53 HD12 ILE 53 6.580 8.210 12.625 414 HD13 ILE 53 HD13 ILE 53 5.995 9.204 13.959 415 H ASP 54 H ASP 54 6.471 14.616 10.532 416 HA ASP 54 HA ASP 54 3.727 15.165 9.905 417 HB2 ASP 54 HB2 ASP 54 6.084 16.396 8.498 418 HB3 ASP 54 HB3 ASP 54 4.508 17.107 8.830 419 H GLN 55 H GLN 55 2.892 15.343 7.708 420 HA GLN 55 HA GLN 55 3.053 12.982 6.273 421 HB2 GLN 55 HB2 GLN 55 1.955 14.257 4.419 422 HB3 GLN 55 HB3 GLN 55 1.167 14.427 5.981 423 HG2 GLN 55 HG2 GLN 55 2.397 16.587 6.267 424 HG3 GLN 55 HG3 GLN 55 2.933 16.424 4.595 425 HE21 GLN 55 HE21 GLN 55 1.832 17.786 3.389 426 HE22 GLN 55 HE22 GLN 55 0.127 18.060 3.458 427 H ASN 56 H ASN 56 4.706 16.062 5.662 428 HA ASN 56 HA ASN 56 5.979 15.356 3.280 429 HB2 ASN 56 HB2 ASN 56 5.885 17.607 4.809 430 HB3 ASN 56 HB3 ASN 56 7.536 17.073 5.107 431 HD21 ASN 56 HD21 ASN 56 5.554 18.811 3.089 432 HD22 ASN 56 HD22 ASN 56 6.604 18.939 1.722 433 H GLU 57 H GLU 57 7.147 15.106 6.631 434 HA GLU 57 HA GLU 57 9.665 14.039 6.069 435 HB2 GLU 57 HB2 GLU 57 7.948 13.443 8.484 436 HB3 GLU 57 HB3 GLU 57 9.695 13.277 8.377 437 HG2 GLU 57 HG2 GLU 57 10.022 15.598 8.312 438 HG3 GLU 57 HG3 GLU 57 8.323 15.910 7.960 439 H PHE 58 H PHE 58 6.544 12.447 6.524 440 HA PHE 58 HA PHE 58 7.503 9.795 6.483 441 HB2 PHE 58 HB2 PHE 58 5.185 10.677 7.190 442 HB3 PHE 58 HB3 PHE 58 4.784 10.601 5.478 443 HD1 PHE 58 HD1 PHE 58 4.894 8.399 4.297 444 HD2 PHE 58 HD2 PHE 58 5.193 8.746 8.528 445 HE1 PHE 58 HE1 PHE 58 4.349 6.011 4.527 446 HE2 PHE 58 HE2 PHE 58 4.650 6.358 8.766 447 HZ PHE 58 HZ PHE 58 4.228 4.988 6.764 448 H ALA 59 H ALA 59 6.351 11.949 3.925 449 HA ALA 59 HA ALA 59 6.383 10.092 1.821 450 HB1 ALA 59 HB1 ALA 59 6.975 12.475 0.605 451 HB2 ALA 59 HB2 ALA 59 5.354 11.897 0.996 452 HB3 ALA 59 HB3 ALA 59 6.190 12.990 2.099 453 H LYS 60 H LYS 60 8.851 12.467 2.804 454 HA LYS 60 HA LYS 60 10.778 11.636 0.907 455 HB2 LYS 60 HB2 LYS 60 11.205 13.052 3.545 456 HB3 LYS 60 HB3 LYS 60 12.364 12.960 2.226 457 HG2 LYS 60 HG2 LYS 60 9.672 14.101 1.680 458 HG3 LYS 60 HG3 LYS 60 10.848 15.074 2.567 459 HD2 LYS 60 HD2 LYS 60 11.531 13.728 -0.032 460 HD3 LYS 60 HD3 LYS 60 10.788 15.328 0.024 461 HE2 LYS 60 HE2 LYS 60 13.358 14.576 1.412 462 HE3 LYS 60 HE3 LYS 60 13.264 15.382 -0.154 463 HZ1 LYS 60 HZ1 LYS 60 12.282 16.439 2.441 464 HZ2 LYS 60 HZ2 LYS 60 12.041 17.196 0.949 465 HZ3 LYS 60 HZ3 LYS 60 13.608 17.004 1.556 466 H PHE 61 H PHE 61 9.840 10.422 4.002 467 HA PHE 61 HA PHE 61 12.265 8.926 4.443 468 HB2 PHE 61 HB2 PHE 61 11.210 9.547 6.442 469 HB3 PHE 61 HB3 PHE 61 9.613 9.108 5.844 470 HD1 PHE 61 HD1 PHE 61 12.861 7.288 6.117 471 HD2 PHE 61 HD2 PHE 61 8.714 7.400 7.074 472 HE1 PHE 61 HE1 PHE 61 13.058 5.094 7.214 473 HE2 PHE 61 HE2 PHE 61 8.906 5.207 8.172 474 HZ PHE 61 HZ PHE 61 11.080 4.051 8.243 475 H TYR 62 H TYR 62 9.090 8.355 3.090 476 HA TYR 62 HA TYR 62 9.076 5.562 3.076 477 HB2 TYR 62 HB2 TYR 62 7.063 6.746 2.551 478 HB3 TYR 62 HB3 TYR 62 7.825 7.561 1.189 479 HD1 TYR 62 HD1 TYR 62 6.408 4.389 2.388 480 HD2 TYR 62 HD2 TYR 62 8.087 6.449 -0.934 481 HE1 TYR 62 HE1 TYR 62 5.621 2.603 0.891 482 HE2 TYR 62 HE2 TYR 62 7.304 4.670 -2.441 483 HH TYR 62 HH TYR 62 6.338 1.690 -1.419 484 H GLY 63 H GLY 63 10.439 4.188 2.155 485 HA2 GLY 63 HA2 GLY 63 11.532 3.183 0.336 486 HA3 GLY 63 HA3 GLY 63 11.387 4.691 -0.555 487 H SER 64 H SER 64 12.481 5.429 2.477 488 HA SER 64 HA SER 64 14.474 6.248 3.224 489 HB2 SER 64 HB2 SER 64 14.942 3.903 3.597 490 HB3 SER 64 HB3 SER 64 15.419 3.688 1.913 491 HG SER 64 HG SER 64 17.187 5.040 2.291 492 H ILE 65 H ILE 65 13.800 7.692 1.141 493 HA ILE 65 HA ILE 65 15.975 7.688 -0.807 494 HB ILE 65 HB ILE 65 13.696 9.644 -0.776 495 HG12 ILE 65 HG12 ILE 65 13.690 6.853 -1.945 496 HG13 ILE 65 HG13 ILE 65 12.692 7.423 -0.612 497 HG21 ILE 65 HG21 ILE 65 14.595 8.628 -3.330 498 HG22 ILE 65 HG22 ILE 65 14.495 10.289 -2.750 499 HG23 ILE 65 HG23 ILE 65 15.923 9.317 -2.398 500 HD11 ILE 65 HD11 ILE 65 12.571 8.444 -3.440 501 HD12 ILE 65 HD12 ILE 65 11.449 7.295 -2.708 502 HD13 ILE 65 HD13 ILE 65 11.540 8.948 -2.101 503 H GLN 66 H GLN 66 16.032 8.606 2.140 504 HA GLN 66 HA GLN 66 16.407 11.372 2.250 505 HB2 GLN 66 HB2 GLN 66 17.697 9.185 3.891 506 HB3 GLN 66 HB3 GLN 66 17.768 10.898 4.284 507 HG2 GLN 66 HG2 GLN 66 15.401 10.986 4.618 508 HG3 GLN 66 HG3 GLN 66 15.211 9.336 4.027 509 HE21 GLN 66 HE21 GLN 66 15.490 7.665 5.398 510 HE22 GLN 66 HE22 GLN 66 15.890 7.832 7.070 Start of MODEL 10 1 H1 MET 1 H MET 1 0.144 4.149 -3.863 2 HA MET 1 HA MET 1 -0.962 3.821 -1.522 3 HB2 MET 1 HB2 MET 1 -0.454 1.055 -2.592 4 HB3 MET 1 HB3 MET 1 -0.515 1.373 -0.864 5 HG2 MET 1 HG2 MET 1 -2.787 2.230 -1.100 6 HG3 MET 1 HG3 MET 1 -2.725 1.917 -2.832 7 HE1 MET 1 HE1 MET 1 -5.167 -0.858 -1.984 8 HE2 MET 1 HE2 MET 1 -5.143 0.550 -0.923 9 HE3 MET 1 HE3 MET 1 -4.896 0.749 -2.658 10 H ALA 2 H ALA 2 1.008 5.243 -1.753 11 HA ALA 2 HA ALA 2 3.418 3.788 -0.879 12 HB1 ALA 2 HB1 ALA 2 3.214 6.376 -2.410 13 HB2 ALA 2 HB2 ALA 2 4.714 5.704 -1.770 14 HB3 ALA 2 HB3 ALA 2 3.815 4.830 -3.009 15 H GLU 3 H GLU 3 2.418 7.202 -0.756 16 HA GLU 3 HA GLU 3 3.099 7.204 2.103 17 HB2 GLU 3 HB2 GLU 3 3.479 9.569 1.910 18 HB3 GLU 3 HB3 GLU 3 4.348 8.762 0.611 19 HG2 GLU 3 HG2 GLU 3 1.811 9.382 -0.412 20 HG3 GLU 3 HG3 GLU 3 2.357 10.810 0.465 21 H ALA 4 H ALA 4 0.519 7.563 -0.131 22 HA ALA 4 HA ALA 4 -1.268 9.200 1.205 23 HB1 ALA 4 HB1 ALA 4 -2.820 7.151 0.105 24 HB2 ALA 4 HB2 ALA 4 -2.389 8.689 -0.643 25 HB3 ALA 4 HB3 ALA 4 -1.387 7.263 -0.918 26 H LEU 5 H LEU 5 -0.223 5.994 1.984 27 HA LEU 5 HA LEU 5 -2.383 5.160 3.580 28 HB2 LEU 5 HB2 LEU 5 0.445 4.417 4.208 29 HB3 LEU 5 HB3 LEU 5 -1.014 3.435 4.315 30 HG LEU 5 HG LEU 5 0.495 4.205 1.822 31 HD11 LEU 5 HD11 LEU 5 0.563 1.955 3.602 32 HD12 LEU 5 HD12 LEU 5 1.570 2.303 2.197 33 HD13 LEU 5 HD13 LEU 5 0.041 1.448 1.995 34 HD21 LEU 5 HD21 LEU 5 -1.579 4.219 0.916 35 HD22 LEU 5 HD22 LEU 5 -2.277 3.250 2.215 36 HD23 LEU 5 HD23 LEU 5 -1.339 2.471 0.939 37 H PHE 6 H PHE 6 0.497 7.062 4.314 38 HA PHE 6 HA PHE 6 0.188 7.134 7.110 39 HB2 PHE 6 HB2 PHE 6 2.290 7.819 6.368 40 HB3 PHE 6 HB3 PHE 6 1.619 8.862 5.119 41 HD1 PHE 6 HD1 PHE 6 0.572 11.029 5.767 42 HD2 PHE 6 HD2 PHE 6 2.750 8.632 8.529 43 HE1 PHE 6 HE1 PHE 6 0.808 12.970 7.260 44 HE2 PHE 6 HE2 PHE 6 2.989 10.570 10.027 45 HZ PHE 6 HZ PHE 6 2.017 12.742 9.393 46 H LYS 7 H LYS 7 -0.895 9.374 4.576 47 HA LYS 7 HA LYS 7 -2.192 11.145 6.405 48 HB2 LYS 7 HB2 LYS 7 -1.964 10.885 3.456 49 HB3 LYS 7 HB3 LYS 7 -3.356 11.768 4.067 50 HG2 LYS 7 HG2 LYS 7 -0.503 12.388 4.798 51 HG3 LYS 7 HG3 LYS 7 -1.408 13.199 3.517 52 HD2 LYS 7 HD2 LYS 7 -2.207 13.116 6.427 53 HD3 LYS 7 HD3 LYS 7 -1.401 14.472 5.633 54 HE2 LYS 7 HE2 LYS 7 -3.398 15.254 5.054 55 HE3 LYS 7 HE3 LYS 7 -3.618 13.835 4.032 56 HZ1 LYS 7 HZ1 LYS 7 -5.205 13.131 5.380 57 HZ2 LYS 7 HZ2 LYS 7 -5.042 14.528 6.320 58 HZ3 LYS 7 HZ3 LYS 7 -4.152 13.141 6.705 59 H GLU 8 H GLU 8 -3.106 8.262 4.703 60 HA GLU 8 HA GLU 8 -5.920 8.605 4.841 61 HB2 GLU 8 HB2 GLU 8 -4.763 7.010 3.315 62 HB3 GLU 8 HB3 GLU 8 -4.360 6.020 4.712 63 HG2 GLU 8 HG2 GLU 8 -6.244 4.928 4.287 64 HG3 GLU 8 HG3 GLU 8 -7.070 6.331 4.963 65 H ILE 9 H ILE 9 -3.559 7.015 6.942 66 HA ILE 9 HA ILE 9 -5.451 5.956 8.768 67 HB ILE 9 HB ILE 9 -2.519 6.579 9.120 68 HG12 ILE 9 HG12 ILE 9 -3.117 4.836 7.440 69 HG13 ILE 9 HG13 ILE 9 -2.189 4.205 8.795 70 HG21 ILE 9 HG21 ILE 9 -2.723 4.980 11.071 71 HG22 ILE 9 HG22 ILE 9 -3.418 6.584 11.300 72 HG23 ILE 9 HG23 ILE 9 -4.468 5.210 10.953 73 HD11 ILE 9 HD11 ILE 9 -5.076 4.055 9.177 74 HD12 ILE 9 HD12 ILE 9 -4.479 3.119 7.806 75 HD13 ILE 9 HD13 ILE 9 -3.829 2.833 9.422 76 H ASP 10 H ASP 10 -4.069 9.088 8.344 77 HA ASP 10 HA ASP 10 -4.519 10.039 11.002 78 HB2 ASP 10 HB2 ASP 10 -3.713 11.236 8.400 79 HB3 ASP 10 HB3 ASP 10 -4.406 12.319 9.605 80 H VAL 11 H VAL 11 -6.738 9.191 11.181 81 HA VAL 11 HA VAL 11 -8.887 10.143 9.651 82 HB VAL 11 HB VAL 11 -9.023 9.372 12.565 83 HG11 VAL 11 HG11 VAL 11 -11.154 9.993 12.177 84 HG12 VAL 11 HG12 VAL 11 -10.988 9.854 10.425 85 HG13 VAL 11 HG13 VAL 11 -11.264 8.412 11.403 86 HG21 VAL 11 HG21 VAL 11 -7.895 7.566 11.599 87 HG22 VAL 11 HG22 VAL 11 -9.589 7.079 11.564 88 HG23 VAL 11 HG23 VAL 11 -8.813 7.675 10.097 89 H ASN 12 H ASN 12 -6.954 11.708 11.983 90 HA ASN 12 HA ASN 12 -8.965 13.688 12.677 91 HB2 ASN 12 HB2 ASN 12 -6.778 14.706 13.797 92 HB3 ASN 12 HB3 ASN 12 -7.658 13.372 14.537 93 HD21 ASN 12 HD21 ASN 12 -5.426 13.474 11.790 94 HD22 ASN 12 HD22 ASN 12 -4.295 12.345 12.446 95 H GLY 13 H GLY 13 -7.075 13.172 10.057 96 HA2 GLY 13 HA2 GLY 13 -6.246 14.491 8.366 97 HA3 GLY 13 HA3 GLY 13 -7.559 15.576 8.799 98 H ASP 14 H ASP 14 -4.608 14.649 10.554 99 HA ASP 14 HA ASP 14 -3.988 17.510 10.822 100 HB2 ASP 14 HB2 ASP 14 -2.633 16.871 12.765 101 HB3 ASP 14 HB3 ASP 14 -4.292 16.304 12.937 102 H GLY 15 H GLY 15 -2.987 14.649 9.292 103 HA2 GLY 15 HA2 GLY 15 -1.238 14.228 7.861 104 HA3 GLY 15 HA3 GLY 15 -0.859 15.942 7.935 105 H ALA 16 H ALA 16 -0.989 14.359 10.956 106 HA ALA 16 HA ALA 16 1.919 13.934 10.961 107 HB1 ALA 16 HB1 ALA 16 1.801 14.899 13.369 108 HB2 ALA 16 HB2 ALA 16 1.876 16.001 11.993 109 HB3 ALA 16 HB3 ALA 16 0.333 15.688 12.788 110 H VAL 17 H VAL 17 2.600 12.175 12.068 111 HA VAL 17 HA VAL 17 0.593 10.701 13.647 112 HB VAL 17 HB VAL 17 2.614 9.587 11.703 113 HG11 VAL 17 HG11 VAL 17 1.800 8.440 14.127 114 HG12 VAL 17 HG12 VAL 17 0.894 7.602 12.864 115 HG13 VAL 17 HG13 VAL 17 2.656 7.656 12.800 116 HG21 VAL 17 HG21 VAL 17 0.738 8.733 10.515 117 HG22 VAL 17 HG22 VAL 17 -0.369 9.181 11.812 118 HG23 VAL 17 HG23 VAL 17 0.409 10.433 10.844 119 H SER 18 H SER 18 1.194 10.752 15.706 120 HA SER 18 HA SER 18 3.972 11.040 16.455 121 HB2 SER 18 HB2 SER 18 2.493 10.576 18.779 122 HB3 SER 18 HB3 SER 18 2.960 12.148 18.127 123 HG SER 18 HG SER 18 0.920 12.481 17.819 124 H TYR 19 H TYR 19 4.626 9.640 18.470 125 HA TYR 19 HA TYR 19 5.193 7.090 17.630 126 HB2 TYR 19 HB2 TYR 19 5.691 6.567 19.999 127 HB3 TYR 19 HB3 TYR 19 6.354 8.120 19.501 128 HD1 TYR 19 HD2 TYR 19 5.222 10.226 20.232 129 HD2 TYR 19 HD1 TYR 19 4.102 6.414 21.756 130 HE1 TYR 19 HE2 TYR 19 4.086 11.321 22.119 131 HE2 TYR 19 HE1 TYR 19 2.961 7.498 23.646 132 HH TYR 19 HH TYR 19 2.326 10.846 23.734 133 H GLU 20 H GLU 20 2.495 8.119 19.697 134 HA GLU 20 HA GLU 20 1.414 5.582 20.180 135 HB2 GLU 20 HB2 GLU 20 0.507 8.370 20.414 136 HB3 GLU 20 HB3 GLU 20 -0.787 7.205 20.177 137 HG2 GLU 20 HG2 GLU 20 0.814 6.035 22.102 138 HG3 GLU 20 HG3 GLU 20 0.818 7.748 22.522 139 H GLU 21 H GLU 21 0.601 7.970 17.668 140 HA GLU 21 HA GLU 21 -1.419 6.533 16.403 141 HB2 GLU 21 HB2 GLU 21 0.478 8.671 15.545 142 HB3 GLU 21 HB3 GLU 21 -0.463 7.847 14.310 143 HG2 GLU 21 HG2 GLU 21 -2.385 8.427 16.131 144 HG3 GLU 21 HG3 GLU 21 -1.294 9.797 16.329 145 H VAL 22 H VAL 22 2.079 6.362 16.023 146 HA VAL 22 HA VAL 22 2.133 4.711 13.740 147 HB VAL 22 HB VAL 22 4.137 5.070 15.967 148 HG11 VAL 22 HG11 VAL 22 4.951 3.097 15.229 149 HG12 VAL 22 HG12 VAL 22 4.115 3.207 13.679 150 HG13 VAL 22 HG13 VAL 22 5.613 4.101 13.940 151 HG21 VAL 22 HG21 VAL 22 5.293 6.497 14.458 152 HG22 VAL 22 HG22 VAL 22 4.247 6.034 13.115 153 HG23 VAL 22 HG23 VAL 22 3.603 7.000 14.442 154 H LYS 23 H LYS 23 2.524 3.863 17.182 155 HA LYS 23 HA LYS 23 2.679 1.107 16.887 156 HB2 LYS 23 HB2 LYS 23 2.281 2.977 19.043 157 HB3 LYS 23 HB3 LYS 23 1.247 1.571 19.269 158 HG2 LYS 23 HG2 LYS 23 4.171 1.296 18.663 159 HG3 LYS 23 HG3 LYS 23 3.572 1.517 20.309 160 HD2 LYS 23 HD2 LYS 23 2.661 -0.674 18.447 161 HD3 LYS 23 HD3 LYS 23 3.924 -0.865 19.665 162 HE2 LYS 23 HE2 LYS 23 1.521 0.310 20.775 163 HE3 LYS 23 HE3 LYS 23 1.195 -1.247 20.017 164 HZ1 LYS 23 HZ1 LYS 23 1.929 -2.130 21.904 165 HZ2 LYS 23 HZ2 LYS 23 2.580 -0.668 22.451 166 HZ3 LYS 23 HZ3 LYS 23 3.486 -1.666 21.430 167 H ALA 24 H ALA 24 -0.149 3.201 17.061 168 HA ALA 24 HA ALA 24 -2.076 1.129 17.250 169 HB1 ALA 24 HB1 ALA 24 -2.984 3.561 15.916 170 HB2 ALA 24 HB2 ALA 24 -3.549 2.804 17.406 171 HB3 ALA 24 HB3 ALA 24 -2.138 3.862 17.435 172 H PHE 25 H PHE 25 -0.675 2.895 14.523 173 HA PHE 25 HA PHE 25 -2.290 2.008 12.469 174 HB2 PHE 25 HB2 PHE 25 -0.443 3.687 12.272 175 HB3 PHE 25 HB3 PHE 25 0.709 2.355 12.298 176 HD1 PHE 25 HD2 PHE 25 -2.258 1.393 10.651 177 HD2 PHE 25 HD1 PHE 25 1.356 3.572 10.097 178 HE1 PHE 25 HE2 PHE 25 -2.489 1.152 8.214 179 HE2 PHE 25 HE1 PHE 25 1.130 3.335 7.658 180 HZ PHE 25 HZ PHE 25 -0.794 2.122 6.714 181 H VAL 26 H VAL 26 0.682 0.467 13.684 182 HA VAL 26 HA VAL 26 0.455 -1.814 12.002 183 HB VAL 26 HB VAL 26 2.496 -0.832 13.417 184 HG11 VAL 26 HG11 VAL 26 1.623 -3.170 15.102 185 HG12 VAL 26 HG12 VAL 26 2.990 -2.087 15.372 186 HG13 VAL 26 HG13 VAL 26 1.340 -1.489 15.556 187 HG21 VAL 26 HG21 VAL 26 2.074 -2.984 11.775 188 HG22 VAL 26 HG22 VAL 26 3.639 -2.474 12.410 189 HG23 VAL 26 HG23 VAL 26 2.723 -3.738 13.230 190 H SER 27 H SER 27 -0.773 -0.988 15.157 191 HA SER 27 HA SER 27 -1.374 -3.585 16.073 192 HB2 SER 27 HB2 SER 27 -2.119 -0.823 16.817 193 HB3 SER 27 HB3 SER 27 -3.278 -2.067 17.283 194 HG SER 27 HG SER 27 -0.582 -2.563 17.791 195 H LYS 28 H LYS 28 -2.867 -1.551 13.733 196 HA LYS 28 HA LYS 28 -5.470 -2.718 13.818 197 HB2 LYS 28 HB2 LYS 28 -4.020 -1.023 11.796 198 HB3 LYS 28 HB3 LYS 28 -5.633 -1.651 11.490 199 HG2 LYS 28 HG2 LYS 28 -4.897 0.077 13.842 200 HG3 LYS 28 HG3 LYS 28 -5.612 0.670 12.341 201 HD2 LYS 28 HD2 LYS 28 -6.858 -1.362 14.192 202 HD3 LYS 28 HD3 LYS 28 -7.295 0.345 14.103 203 HE2 LYS 28 HE2 LYS 28 -7.562 -0.307 11.521 204 HE3 LYS 28 HE3 LYS 28 -7.901 -1.879 12.244 205 HZ1 LYS 28 HZ1 LYS 28 -9.408 0.628 12.458 206 HZ2 LYS 28 HZ2 LYS 28 -9.456 -0.455 13.756 207 HZ3 LYS 28 HZ3 LYS 28 -9.972 -0.949 12.222 208 H LYS 29 H LYS 29 -2.528 -3.922 12.835 209 HA LYS 29 HA LYS 29 -3.751 -5.724 10.855 210 HB2 LYS 29 HB2 LYS 29 -0.794 -5.411 11.321 211 HB3 LYS 29 HB3 LYS 29 -1.615 -6.058 9.906 212 HG2 LYS 29 HG2 LYS 29 -1.513 -3.184 10.791 213 HG3 LYS 29 HG3 LYS 29 -0.739 -3.898 9.374 214 HD2 LYS 29 HD2 LYS 29 -3.714 -3.709 9.852 215 HD3 LYS 29 HD3 LYS 29 -2.776 -2.674 8.773 216 HE2 LYS 29 HE2 LYS 29 -2.158 -4.632 7.441 217 HE3 LYS 29 HE3 LYS 29 -3.092 -5.665 8.523 218 HZ1 LYS 29 HZ1 LYS 29 -4.046 -4.568 6.270 219 HZ2 LYS 29 HZ2 LYS 29 -4.559 -3.435 7.417 220 HZ3 LYS 29 HZ3 LYS 29 -5.010 -5.058 7.571 221 H ARG 30 H ARG 30 -2.334 -5.545 13.983 222 HA ARG 30 HA ARG 30 -3.107 -8.152 14.691 223 HB2 ARG 30 HB2 ARG 30 -0.826 -9.128 15.041 224 HB3 ARG 30 HB3 ARG 30 -1.293 -8.957 13.355 225 HG2 ARG 30 HG2 ARG 30 -0.003 -6.581 13.917 226 HG3 ARG 30 HG3 ARG 30 0.935 -7.793 14.793 227 HD2 ARG 30 HD2 ARG 30 0.311 -7.684 11.853 228 HD3 ARG 30 HD3 ARG 30 1.891 -7.647 12.635 229 HE ARG 30 HE ARG 30 0.912 -10.041 13.389 230 HH11 ARG 30 HH11 ARG 30 1.211 -8.474 10.295 231 HH12 ARG 30 HH12 ARG 30 1.395 -9.956 9.417 232 HH21 ARG 30 HH21 ARG 30 1.153 -11.999 12.244 233 HH22 ARG 30 HH22 ARG 30 1.362 -11.960 10.526 234 H ALA 31 H ALA 31 -1.576 -8.794 16.777 235 HA ALA 31 HA ALA 31 -1.592 -6.365 18.447 236 HB1 ALA 31 HB1 ALA 31 -1.972 -9.159 19.486 237 HB2 ALA 31 HB2 ALA 31 -2.341 -7.628 20.283 238 HB3 ALA 31 HB3 ALA 31 -3.319 -8.170 18.920 239 H ILE 32 H ILE 32 0.551 -5.799 18.277 240 HA ILE 32 HA ILE 32 2.448 -7.662 19.533 241 HB ILE 32 HB ILE 32 4.213 -6.710 17.972 242 HG12 ILE 32 HG12 ILE 32 2.212 -6.241 15.882 243 HG13 ILE 32 HG13 ILE 32 2.169 -5.046 17.173 244 HG21 ILE 32 HG21 ILE 32 2.020 -8.469 16.887 245 HG22 ILE 32 HG22 ILE 32 3.603 -8.274 16.136 246 HG23 ILE 32 HG23 ILE 32 3.472 -8.980 17.746 247 HD11 ILE 32 HD11 ILE 32 4.853 -5.662 16.192 248 HD12 ILE 32 HD12 ILE 32 3.781 -4.932 14.997 249 HD13 ILE 32 HD13 ILE 32 4.088 -4.108 16.526 250 H LYS 33 H LYS 33 2.709 -6.662 21.450 251 HA LYS 33 HA LYS 33 2.931 -3.786 21.637 252 HB2 LYS 33 HB2 LYS 33 3.274 -4.258 24.076 253 HB3 LYS 33 HB3 LYS 33 1.766 -4.877 23.419 254 HG2 LYS 33 HG2 LYS 33 3.686 -6.924 23.141 255 HG3 LYS 33 HG3 LYS 33 3.840 -6.277 24.776 256 HD2 LYS 33 HD2 LYS 33 1.116 -6.841 23.709 257 HD3 LYS 33 HD3 LYS 33 2.122 -8.197 24.227 258 HE2 LYS 33 HE2 LYS 33 2.465 -6.906 26.392 259 HE3 LYS 33 HE3 LYS 33 1.155 -5.858 25.852 260 HZ1 LYS 33 HZ1 LYS 33 0.287 -8.481 25.556 261 HZ2 LYS 33 HZ2 LYS 33 -0.266 -7.328 26.662 262 HZ3 LYS 33 HZ3 LYS 33 0.989 -8.379 27.091 263 H ASN 34 H ASN 34 4.782 -2.947 20.877 264 HA ASN 34 HA ASN 34 7.303 -4.092 21.884 265 HB2 ASN 34 HB2 ASN 34 6.834 -2.782 19.196 266 HB3 ASN 34 HB3 ASN 34 8.385 -3.363 19.794 267 HD21 ASN 34 HD21 ASN 34 5.821 -4.099 17.885 268 HD22 ASN 34 HD22 ASN 34 5.973 -5.820 17.845 269 H GLU 35 H GLU 35 7.781 -2.735 23.524 270 HA GLU 35 HA GLU 35 7.285 0.081 23.410 271 HB2 GLU 35 HB2 GLU 35 8.170 -1.849 25.383 272 HB3 GLU 35 HB3 GLU 35 9.137 -0.382 25.453 273 HG2 GLU 35 HG2 GLU 35 6.425 0.389 25.224 274 HG3 GLU 35 HG3 GLU 35 6.530 -0.850 26.472 275 H GLN 36 H GLN 36 10.146 -1.975 23.096 276 HA GLN 36 HA GLN 36 11.984 0.185 22.836 277 HB2 GLN 36 HB2 GLN 36 12.295 -2.430 23.349 278 HB3 GLN 36 HB3 GLN 36 12.636 -2.445 21.624 279 HG2 GLN 36 HG2 GLN 36 14.078 -0.288 22.694 280 HG3 GLN 36 HG3 GLN 36 14.311 -1.643 23.796 281 HE21 GLN 36 HE21 GLN 36 14.775 -3.764 22.635 282 HE22 GLN 36 HE22 GLN 36 15.919 -3.687 21.342 283 H LEU 37 H LEU 37 10.493 -2.032 20.486 284 HA LEU 37 HA LEU 37 11.677 -0.929 18.194 285 HB2 LEU 37 HB2 LEU 37 8.950 -2.195 18.317 286 HB3 LEU 37 HB3 LEU 37 10.047 -2.128 16.938 287 HG LEU 37 HG LEU 37 10.389 -3.768 19.446 288 HD11 LEU 37 HD11 LEU 37 8.872 -4.309 17.248 289 HD12 LEU 37 HD12 LEU 37 9.594 -5.521 18.306 290 HD13 LEU 37 HD13 LEU 37 10.414 -5.050 16.817 291 HD21 LEU 37 HD21 LEU 37 12.266 -3.053 17.253 292 HD22 LEU 37 HD22 LEU 37 12.312 -4.694 17.895 293 HD23 LEU 37 HD23 LEU 37 12.578 -3.320 18.968 294 H LEU 38 H LEU 38 8.736 -0.095 19.943 295 HA LEU 38 HA LEU 38 7.644 1.679 18.059 296 HB2 LEU 38 HB2 LEU 38 6.320 0.862 19.884 297 HB3 LEU 38 HB3 LEU 38 7.415 1.584 21.061 298 HG LEU 38 HG LEU 38 5.132 2.709 20.581 299 HD11 LEU 38 HD11 LEU 38 7.291 4.710 20.348 300 HD12 LEU 38 HD12 LEU 38 7.408 3.577 21.693 301 HD13 LEU 38 HD13 LEU 38 5.972 4.586 21.513 302 HD21 LEU 38 HD21 LEU 38 5.905 2.659 18.021 303 HD22 LEU 38 HD22 LEU 38 6.546 4.237 18.479 304 HD23 LEU 38 HD23 LEU 38 4.827 3.892 18.674 305 H GLN 39 H GLN 39 9.782 2.269 20.837 306 HA GLN 39 HA GLN 39 9.964 5.058 20.507 307 HB2 GLN 39 HB2 GLN 39 11.211 3.020 22.142 308 HB3 GLN 39 HB3 GLN 39 12.389 4.220 21.624 309 HG2 GLN 39 HG2 GLN 39 9.772 4.906 22.937 310 HG3 GLN 39 HG3 GLN 39 11.289 4.691 23.811 311 HE21 GLN 39 HE21 GLN 39 11.545 6.745 24.521 312 HE22 GLN 39 HE22 GLN 39 11.791 8.103 23.482 313 H LEU 40 H LEU 40 12.182 2.464 19.489 314 HA LEU 40 HA LEU 40 14.028 4.113 18.175 315 HB2 LEU 40 HB2 LEU 40 13.899 1.477 18.763 316 HB3 LEU 40 HB3 LEU 40 13.577 1.436 17.030 317 HG LEU 40 HG LEU 40 16.034 2.540 18.388 318 HD11 LEU 40 HD11 LEU 40 15.918 0.311 16.392 319 HD12 LEU 40 HD12 LEU 40 15.661 0.009 18.110 320 HD13 LEU 40 HD13 LEU 40 17.185 0.702 17.555 321 HD21 LEU 40 HD21 LEU 40 15.754 3.954 16.563 322 HD22 LEU 40 HD22 LEU 40 15.079 2.677 15.551 323 HD23 LEU 40 HD23 LEU 40 16.802 2.682 15.935 324 H ILE 41 H ILE 41 11.315 2.226 16.845 325 HA ILE 41 HA ILE 41 11.610 3.077 14.186 326 HB ILE 41 HB ILE 41 9.175 2.099 15.672 327 HG12 ILE 41 HG12 ILE 41 10.750 0.667 13.543 328 HG13 ILE 41 HG13 ILE 41 11.229 0.604 15.236 329 HG21 ILE 41 HG21 ILE 41 9.526 2.748 12.756 330 HG22 ILE 41 HG22 ILE 41 8.247 1.698 13.364 331 HG23 ILE 41 HG23 ILE 41 8.320 3.385 13.873 332 HD11 ILE 41 HD11 ILE 41 8.831 -0.552 13.902 333 HD12 ILE 41 HD12 ILE 41 9.966 -1.297 15.028 334 HD13 ILE 41 HD13 ILE 41 8.768 -0.145 15.616 335 H PHE 42 H PHE 42 9.988 4.516 16.935 336 HA PHE 42 HA PHE 42 8.396 6.389 15.599 337 HB2 PHE 42 HB2 PHE 42 8.017 6.043 17.926 338 HB3 PHE 42 HB3 PHE 42 9.688 6.432 18.326 339 HD1 PHE 42 HD1 PHE 42 6.902 8.081 16.460 340 HD2 PHE 42 HD2 PHE 42 9.951 8.425 19.410 341 HE1 PHE 42 HE1 PHE 42 6.256 10.424 16.850 342 HE2 PHE 42 HE2 PHE 42 9.311 10.767 19.805 343 HZ PHE 42 HZ PHE 42 7.460 11.770 18.524 344 H LYS 43 H LYS 43 11.679 6.748 16.931 345 HA LYS 43 HA LYS 43 12.020 9.387 15.903 346 HB2 LYS 43 HB2 LYS 43 13.326 7.831 17.762 347 HB3 LYS 43 HB3 LYS 43 14.474 7.874 16.430 348 HG2 LYS 43 HG2 LYS 43 14.646 10.220 16.518 349 HG3 LYS 43 HG3 LYS 43 13.224 10.362 17.554 350 HD2 LYS 43 HD2 LYS 43 14.427 10.036 19.411 351 HD3 LYS 43 HD3 LYS 43 15.284 8.662 18.708 352 HE2 LYS 43 HE2 LYS 43 16.418 10.689 17.339 353 HE3 LYS 43 HE3 LYS 43 16.045 11.509 18.855 354 HZ1 LYS 43 HZ1 LYS 43 17.130 9.335 19.832 355 HZ2 LYS 43 HZ2 LYS 43 18.072 10.659 19.363 356 HZ3 LYS 43 HZ3 LYS 43 17.918 9.325 18.334 357 H SER 44 H SER 44 12.675 6.171 14.716 358 HA SER 44 HA SER 44 14.440 6.911 12.621 359 HB2 SER 44 HB2 SER 44 13.861 4.553 13.676 360 HB3 SER 44 HB3 SER 44 12.679 4.509 12.368 361 HG SER 44 HG SER 44 15.483 4.577 12.239 362 H ILE 45 H ILE 45 10.956 6.194 12.674 363 HA ILE 45 HA ILE 45 10.518 6.722 9.934 364 HB ILE 45 HB ILE 45 8.611 6.755 12.272 365 HG12 ILE 45 HG12 ILE 45 9.139 4.724 10.091 366 HG13 ILE 45 HG13 ILE 45 9.595 4.570 11.784 367 HG21 ILE 45 HG21 ILE 45 6.819 6.638 10.564 368 HG22 ILE 45 HG22 ILE 45 7.694 8.169 10.555 369 HG23 ILE 45 HG23 ILE 45 8.030 6.954 9.321 370 HD11 ILE 45 HD11 ILE 45 7.178 4.651 12.366 371 HD12 ILE 45 HD12 ILE 45 6.818 4.600 10.640 372 HD13 ILE 45 HD13 ILE 45 7.654 3.250 11.407 373 H ASP 46 H ASP 46 10.520 8.753 12.793 374 HA ASP 46 HA ASP 46 9.462 11.045 11.382 375 HB2 ASP 46 HB2 ASP 46 9.297 10.388 13.950 376 HB3 ASP 46 HB3 ASP 46 10.796 11.309 14.037 377 H ALA 47 H ALA 47 10.637 12.345 10.156 378 HA ALA 47 HA ALA 47 13.435 12.097 9.868 379 HB1 ALA 47 HB1 ALA 47 11.874 14.509 9.004 380 HB2 ALA 47 HB2 ALA 47 13.289 13.779 8.248 381 HB3 ALA 47 HB3 ALA 47 11.729 12.961 8.173 382 H ASP 48 H ASP 48 11.410 14.424 11.596 383 HA ASP 48 HA ASP 48 13.842 15.634 12.726 384 HB2 ASP 48 HB2 ASP 48 12.381 17.552 13.325 385 HB3 ASP 48 HB3 ASP 48 12.442 17.253 11.590 386 H GLY 49 H GLY 49 11.185 13.640 13.432 387 HA2 GLY 49 HA2 GLY 49 10.447 12.662 15.372 388 HA3 GLY 49 HA3 GLY 49 12.023 13.061 16.038 389 H ASN 50 H ASN 50 9.720 15.435 14.860 390 HA ASN 50 HA ASN 50 9.752 16.735 17.449 391 HB2 ASN 50 HB2 ASN 50 8.481 18.522 16.302 392 HB3 ASN 50 HB3 ASN 50 9.969 18.115 15.453 393 HD21 ASN 50 HD21 ASN 50 7.911 19.454 14.217 394 HD22 ASN 50 HD22 ASN 50 7.205 18.434 13.015 395 H GLY 51 H GLY 51 8.606 15.042 18.598 396 HA2 GLY 51 HA2 GLY 51 6.704 14.328 19.676 397 HA3 GLY 51 HA3 GLY 51 5.835 15.618 18.856 398 H GLU 52 H GLU 52 6.162 14.914 16.213 399 HA GLU 52 HA GLU 52 5.336 12.155 15.886 400 HB2 GLU 52 HB2 GLU 52 3.265 12.965 14.590 401 HB3 GLU 52 HB3 GLU 52 3.186 12.950 16.346 402 HG2 GLU 52 HG2 GLU 52 2.229 14.980 15.249 403 HG3 GLU 52 HG3 GLU 52 3.459 15.296 16.470 404 H ILE 53 H ILE 53 4.973 11.625 13.557 405 HA ILE 53 HA ILE 53 6.975 13.011 11.956 406 HB ILE 53 HB ILE 53 5.453 10.565 11.100 407 HG12 ILE 53 HG12 ILE 53 7.917 9.711 12.091 408 HG13 ILE 53 HG13 ILE 53 7.317 10.827 13.313 409 HG21 ILE 53 HG21 ILE 53 7.996 11.917 10.316 410 HG22 ILE 53 HG22 ILE 53 7.805 10.186 10.049 411 HG23 ILE 53 HG23 ILE 53 6.682 11.322 9.302 412 HD11 ILE 53 HD11 ILE 53 6.567 8.131 12.828 413 HD12 ILE 53 HD12 ILE 53 6.026 9.223 14.105 414 HD13 ILE 53 HD13 ILE 53 5.162 9.168 12.569 415 H ASP 54 H ASP 54 6.410 14.554 10.587 416 HA ASP 54 HA ASP 54 3.671 15.018 9.877 417 HB2 ASP 54 HB2 ASP 54 6.167 16.356 8.812 418 HB3 ASP 54 HB3 ASP 54 4.517 16.954 8.662 419 H GLN 55 H GLN 55 2.911 15.237 7.655 420 HA GLN 55 HA GLN 55 3.200 12.931 6.157 421 HB2 GLN 55 HB2 GLN 55 2.165 14.248 4.286 422 HB3 GLN 55 HB3 GLN 55 1.290 14.323 5.811 423 HG2 GLN 55 HG2 GLN 55 2.427 16.506 6.255 424 HG3 GLN 55 HG3 GLN 55 3.059 16.436 4.611 425 HE21 GLN 55 HE21 GLN 55 1.894 17.378 3.100 426 HE22 GLN 55 HE22 GLN 55 0.212 17.762 3.202 427 H ASN 56 H ASN 56 4.801 16.066 5.705 428 HA ASN 56 HA ASN 56 6.193 15.461 3.363 429 HB2 ASN 56 HB2 ASN 56 5.960 17.677 4.870 430 HB3 ASN 56 HB3 ASN 56 7.569 17.162 5.369 431 HD21 ASN 56 HD21 ASN 56 5.801 17.144 2.291 432 HD22 ASN 56 HD22 ASN 56 7.022 17.972 1.391 433 H GLU 57 H GLU 57 7.246 15.161 6.751 434 HA GLU 57 HA GLU 57 9.791 14.113 6.212 435 HB2 GLU 57 HB2 GLU 57 8.054 13.597 8.631 436 HB3 GLU 57 HB3 GLU 57 9.795 13.373 8.540 437 HG2 GLU 57 HG2 GLU 57 10.235 15.599 8.666 438 HG3 GLU 57 HG3 GLU 57 8.715 16.057 7.900 439 H PHE 58 H PHE 58 6.680 12.517 6.753 440 HA PHE 58 HA PHE 58 7.648 9.871 6.733 441 HB2 PHE 58 HB2 PHE 58 5.343 10.738 7.473 442 HB3 PHE 58 HB3 PHE 58 4.908 10.666 5.768 443 HD1 PHE 58 HD2 PHE 58 4.795 8.512 4.606 444 HD2 PHE 58 HD1 PHE 58 5.578 8.759 8.784 445 HE1 PHE 58 HE2 PHE 58 4.254 6.124 4.845 446 HE2 PHE 58 HE1 PHE 58 5.039 6.371 9.029 447 HZ PHE 58 HZ PHE 58 4.374 5.050 7.060 448 H ALA 59 H ALA 59 6.400 11.953 4.154 449 HA ALA 59 HA ALA 59 6.417 10.068 2.085 450 HB1 ALA 59 HB1 ALA 59 6.299 12.993 2.294 451 HB2 ALA 59 HB2 ALA 59 6.949 12.380 0.772 452 HB3 ALA 59 HB3 ALA 59 5.345 11.883 1.310 453 H LYS 60 H LYS 60 8.905 12.453 2.990 454 HA LYS 60 HA LYS 60 10.797 11.601 1.069 455 HB2 LYS 60 HB2 LYS 60 10.845 13.329 3.494 456 HB3 LYS 60 HB3 LYS 60 12.386 12.740 2.884 457 HG2 LYS 60 HG2 LYS 60 12.044 13.796 0.779 458 HG3 LYS 60 HG3 LYS 60 10.374 14.196 1.187 459 HD2 LYS 60 HD2 LYS 60 11.008 15.859 2.681 460 HD3 LYS 60 HD3 LYS 60 12.633 15.200 2.879 461 HE2 LYS 60 HE2 LYS 60 13.169 15.864 0.579 462 HE3 LYS 60 HE3 LYS 60 11.549 16.536 0.401 463 HZ1 LYS 60 HZ1 LYS 60 13.530 17.450 2.414 464 HZ2 LYS 60 HZ2 LYS 60 12.023 18.147 2.090 465 HZ3 LYS 60 HZ3 LYS 60 13.253 18.215 0.930 466 H PHE 61 H PHE 61 9.912 10.412 4.192 467 HA PHE 61 HA PHE 61 12.337 8.912 4.605 468 HB2 PHE 61 HB2 PHE 61 11.355 9.469 6.632 469 HB3 PHE 61 HB3 PHE 61 9.723 9.175 6.040 470 HD1 PHE 61 HD1 PHE 61 12.851 7.156 6.349 471 HD2 PHE 61 HD2 PHE 61 8.674 7.451 7.113 472 HE1 PHE 61 HE1 PHE 61 12.885 4.923 7.382 473 HE2 PHE 61 HE2 PHE 61 8.701 5.220 8.148 474 HZ PHE 61 HZ PHE 61 10.809 3.953 8.285 475 H TYR 62 H TYR 62 9.132 8.320 3.318 476 HA TYR 62 HA TYR 62 9.228 5.506 3.272 477 HB2 TYR 62 HB2 TYR 62 7.120 6.616 2.974 478 HB3 TYR 62 HB3 TYR 62 7.712 7.482 1.560 479 HD1 TYR 62 HD2 TYR 62 7.909 6.365 -0.591 480 HD2 TYR 62 HD1 TYR 62 6.467 4.282 2.826 481 HE1 TYR 62 HE2 TYR 62 7.065 4.572 -2.048 482 HE2 TYR 62 HE1 TYR 62 5.620 2.483 1.379 483 HH TYR 62 HH TYR 62 4.863 2.473 -1.292 484 H GLY 63 H GLY 63 10.548 4.225 2.176 485 HA2 GLY 63 HA2 GLY 63 11.608 3.329 0.307 486 HA3 GLY 63 HA3 GLY 63 11.155 4.762 -0.604 487 H SER 64 H SER 64 12.514 5.772 2.239 488 HA SER 64 HA SER 64 15.030 6.373 0.885 489 HB2 SER 64 HB2 SER 64 13.810 8.231 1.941 490 HB3 SER 64 HB3 SER 64 13.919 7.418 3.502 491 HG SER 64 HG SER 64 15.707 9.012 2.327 492 H ILE 65 H ILE 65 14.356 3.701 2.018 493 HA ILE 65 HA ILE 65 16.243 3.452 4.228 494 HB ILE 65 HB ILE 65 14.765 1.162 2.966 495 HG12 ILE 65 HG12 ILE 65 13.193 1.780 5.078 496 HG13 ILE 65 HG13 ILE 65 13.685 3.397 4.585 497 HG21 ILE 65 HG21 ILE 65 14.820 0.724 5.634 498 HG22 ILE 65 HG22 ILE 65 16.058 0.164 4.512 499 HG23 ILE 65 HG23 ILE 65 16.303 1.655 5.422 500 HD11 ILE 65 HD11 ILE 65 11.877 1.495 3.288 501 HD12 ILE 65 HD12 ILE 65 11.909 3.258 3.235 502 HD13 ILE 65 HD13 ILE 65 12.992 2.324 2.202 503 H GLN 66 H GLN 66 16.859 3.933 1.241 504 HA GLN 66 HA GLN 66 18.179 1.662 0.234 505 HB2 GLN 66 HB2 GLN 66 18.069 4.532 -0.399 506 HB3 GLN 66 HB3 GLN 66 19.569 3.741 -0.864 507 HG2 GLN 66 HG2 GLN 66 17.441 2.061 -1.660 508 HG3 GLN 66 HG3 GLN 66 17.049 3.702 -2.170 509 HE21 GLN 66 HE21 GLN 66 19.507 4.730 -2.728 510 HE22 GLN 66 HE22 GLN 66 20.215 3.881 -4.054
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