NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631389 | 5zmr | 36176 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -8.108 12.006 -9.686 2 H2 MET 1 H2 MET 1 -7.969 12.150 -8.060 3 H3 MET 1 H3 MET 1 -9.340 12.632 -8.813 4 HA MET 1 HA MET 1 -8.074 14.553 -8.220 5 HB2 MET 1 HB2 MET 1 -5.859 13.578 -8.122 6 HB3 MET 1 HB3 MET 1 -5.892 13.182 -9.842 7 HG2 MET 1 HG2 MET 1 -4.490 15.149 -9.369 8 HG3 MET 1 HG3 MET 1 -5.803 15.496 -10.474 9 HE1 MET 1 HE1 MET 1 -5.367 17.061 -6.131 10 HE2 MET 1 HE2 MET 1 -5.536 15.329 -6.461 11 HE3 MET 1 HE3 MET 1 -4.115 16.215 -7.060 12 H SER 2 H SER 2 -8.765 16.324 -9.344 13 HA SER 2 HA SER 2 -9.944 15.965 -12.000 14 HB2 SER 2 HB2 SER 2 -10.680 18.289 -11.666 15 HB3 SER 2 HB3 SER 2 -11.109 17.241 -10.300 16 HG SER 2 HG SER 2 -10.221 19.228 -9.607 17 H ARG 3 H ARG 3 -7.008 17.460 -10.712 18 HA ARG 3 HA ARG 3 -6.322 18.976 -13.085 19 HB2 ARG 3 HB2 ARG 3 -4.519 17.966 -10.840 20 HB3 ARG 3 HB3 ARG 3 -4.103 19.214 -12.010 21 HG2 ARG 3 HG2 ARG 3 -6.265 19.434 -9.870 22 HG3 ARG 3 HG3 ARG 3 -4.665 20.170 -9.833 23 HD2 ARG 3 HD2 ARG 3 -5.230 21.498 -11.864 24 HD3 ARG 3 HD3 ARG 3 -6.864 20.796 -11.850 25 HE ARG 3 HE ARG 3 -6.382 21.921 -9.287 26 HH11 ARG 3 HH11 ARG 3 -6.870 23.118 -12.562 27 HH12 ARG 3 HH12 ARG 3 -7.519 24.631 -11.981 28 HH21 ARG 3 HH21 ARG 3 -7.193 23.866 -8.657 29 HH22 ARG 3 HH22 ARG 3 -7.703 25.034 -9.851 30 H ASP 4 H ASP 4 -4.654 18.640 -14.582 31 HA ASP 4 HA ASP 4 -4.300 15.820 -15.407 32 HB2 ASP 4 HB2 ASP 4 -3.529 16.753 -17.522 33 HB3 ASP 4 HB3 ASP 4 -5.106 17.385 -17.079 34 H ALA 5 H ALA 5 -2.500 17.998 -13.534 35 HA ALA 5 HA ALA 5 0.159 17.198 -14.246 36 HB1 ALA 5 HB1 ALA 5 0.741 18.030 -11.999 37 HB2 ALA 5 HB2 ALA 5 -0.318 19.167 -12.856 38 HB3 ALA 5 HB3 ALA 5 -0.981 18.120 -11.574 39 HA PRO 6 HA PRO 6 -0.252 12.987 -12.865 40 HB2 PRO 6 HB2 PRO 6 2.316 12.076 -13.039 41 HB3 PRO 6 HB3 PRO 6 1.360 12.543 -14.481 42 HG2 PRO 6 HG2 PRO 6 3.401 14.209 -12.976 43 HG3 PRO 6 HG3 PRO 6 3.274 13.949 -14.745 44 HD2 PRO 6 HD2 PRO 6 2.234 16.146 -13.456 45 HD3 PRO 6 HD3 PRO 6 1.476 15.446 -14.924 46 H ILE 7 H ILE 7 0.090 11.640 -11.043 47 HA ILE 7 HA ILE 7 0.787 13.053 -8.632 48 HB ILE 7 HB ILE 7 -0.175 10.184 -8.710 49 HG12 ILE 7 HG12 ILE 7 -1.830 11.264 -10.038 50 HG13 ILE 7 HG13 ILE 7 -2.490 10.982 -8.441 51 HG21 ILE 7 HG21 ILE 7 -1.106 10.776 -6.485 52 HG22 ILE 7 HG22 ILE 7 0.645 11.001 -6.534 53 HG23 ILE 7 HG23 ILE 7 -0.419 12.407 -6.632 54 HD11 ILE 7 HD11 ILE 7 -2.137 13.397 -7.875 55 HD12 ILE 7 HD12 ILE 7 -1.491 13.657 -9.515 56 HD13 ILE 7 HD13 ILE 7 -3.175 13.162 -9.295 57 H LYS 8 H LYS 8 2.999 13.109 -9.676 58 HA LYS 8 HA LYS 8 4.843 10.916 -8.967 59 HB2 LYS 8 HB2 LYS 8 6.574 12.699 -9.448 60 HB3 LYS 8 HB3 LYS 8 5.558 12.202 -10.802 61 HG2 LYS 8 HG2 LYS 8 4.264 14.202 -10.758 62 HG3 LYS 8 HG3 LYS 8 4.878 14.671 -9.178 63 HD2 LYS 8 HD2 LYS 8 7.241 14.704 -10.374 64 HD3 LYS 8 HD3 LYS 8 6.263 14.830 -11.851 65 HE2 LYS 8 HE2 LYS 8 5.025 16.760 -10.747 66 HE3 LYS 8 HE3 LYS 8 6.139 16.623 -9.371 67 HZ1 LYS 8 HZ1 LYS 8 7.970 17.126 -10.894 68 HZ2 LYS 8 HZ2 LYS 8 6.945 17.277 -12.157 69 HZ3 LYS 8 HZ3 LYS 8 6.877 18.327 -10.918 70 H ALA 9 H ALA 9 4.737 10.430 -6.819 71 HA ALA 9 HA ALA 9 4.719 12.470 -4.746 72 HB1 ALA 9 HB1 ALA 9 5.076 10.635 -3.210 73 HB2 ALA 9 HB2 ALA 9 3.739 10.292 -4.340 74 HB3 ALA 9 HB3 ALA 9 5.327 9.505 -4.567 75 H ASP 10 H ASP 10 6.345 13.831 -5.300 76 HA ASP 10 HA ASP 10 9.055 13.203 -5.777 77 HB2 ASP 10 HB2 ASP 10 7.761 15.323 -6.309 78 HB3 ASP 10 HB3 ASP 10 7.906 15.765 -4.604 79 H LYS 11 H LYS 11 7.352 13.575 -2.791 80 HA LYS 11 HA LYS 11 7.918 13.474 -0.544 81 HB2 LYS 11 HB2 LYS 11 8.815 11.048 -2.038 82 HB3 LYS 11 HB3 LYS 11 9.319 11.150 -0.356 83 HG2 LYS 11 HG2 LYS 11 7.014 11.487 0.396 84 HG3 LYS 11 HG3 LYS 11 6.437 11.474 -1.279 85 HD2 LYS 11 HD2 LYS 11 7.215 9.141 -1.536 86 HD3 LYS 11 HD3 LYS 11 7.819 9.146 0.130 87 HE2 LYS 11 HE2 LYS 11 5.500 9.495 0.989 88 HE3 LYS 11 HE3 LYS 11 4.892 9.582 -0.667 89 HZ1 LYS 11 HZ1 LYS 11 4.583 7.363 0.247 90 HZ2 LYS 11 HZ2 LYS 11 5.630 7.275 -0.990 91 HZ3 LYS 11 HZ3 LYS 11 6.174 7.187 0.545 92 H ASP 12 H ASP 12 9.031 15.342 -0.224 93 HA ASP 12 HA ASP 12 11.944 15.314 0.261 94 HB2 ASP 12 HB2 ASP 12 9.752 17.229 1.174 95 HB3 ASP 12 HB3 ASP 12 11.487 17.492 1.357 96 H TYR 13 H TYR 13 11.963 16.406 2.980 97 HA TYR 13 HA TYR 13 11.939 14.095 4.577 98 HB2 TYR 13 HB2 TYR 13 11.457 16.935 5.537 99 HB3 TYR 13 HB3 TYR 13 12.035 15.591 6.505 100 HD1 TYR 13 HD1 TYR 13 13.098 18.511 5.008 101 HD2 TYR 13 HD2 TYR 13 14.222 14.349 5.290 102 HE1 TYR 13 HE1 TYR 13 15.441 19.104 4.424 103 HE2 TYR 13 HE2 TYR 13 16.568 14.954 4.708 104 HH TYR 13 HH TYR 13 17.541 18.329 4.045 105 H SER 14 H SER 14 9.170 16.133 3.797 106 HA SER 14 HA SER 14 7.282 15.227 5.675 107 HB2 SER 14 HB2 SER 14 6.906 17.006 3.956 108 HB3 SER 14 HB3 SER 14 6.791 15.742 2.718 109 HG SER 14 HG SER 14 5.061 14.845 4.050 110 H GLN 15 H GLN 15 8.968 13.227 3.488 111 HA GLN 15 HA GLN 15 7.046 11.237 2.834 112 HB2 GLN 15 HB2 GLN 15 8.923 9.808 2.388 113 HB3 GLN 15 HB3 GLN 15 9.296 11.443 1.844 114 HG2 GLN 15 HG2 GLN 15 10.564 11.750 4.067 115 HG3 GLN 15 HG3 GLN 15 10.349 10.015 4.330 116 HE21 GLN 15 HE21 GLN 15 12.827 11.237 1.249 117 HE22 GLN 15 HE22 GLN 15 11.459 12.255 1.713 118 H ILE 16 H ILE 16 8.820 11.874 5.818 119 HA ILE 16 HA ILE 16 8.286 9.467 7.240 120 HB ILE 16 HB ILE 16 8.423 12.328 8.293 121 HG12 ILE 16 HG12 ILE 16 10.775 10.438 8.242 122 HG13 ILE 16 HG13 ILE 16 10.410 11.494 6.872 123 HG21 ILE 16 HG21 ILE 16 7.509 10.914 10.001 124 HG22 ILE 16 HG22 ILE 16 8.618 9.592 9.611 125 HG23 ILE 16 HG23 ILE 16 9.240 11.063 10.386 126 HD11 ILE 16 HD11 ILE 16 10.942 12.504 9.668 127 HD12 ILE 16 HD12 ILE 16 12.033 12.582 8.263 128 HD13 ILE 16 HD13 ILE 16 10.514 13.484 8.243 129 H LEU 17 H LEU 17 6.540 12.505 6.923 130 HA LEU 17 HA LEU 17 4.381 11.844 8.711 131 HB2 LEU 17 HB2 LEU 17 4.444 13.862 6.471 132 HB3 LEU 17 HB3 LEU 17 3.488 13.920 7.969 133 HG LEU 17 HG LEU 17 6.467 14.408 7.592 134 HD11 LEU 17 HD11 LEU 17 4.116 16.196 8.340 135 HD12 LEU 17 HD12 LEU 17 5.816 16.644 8.439 136 HD13 LEU 17 HD13 LEU 17 5.114 16.243 6.867 137 HD21 LEU 17 HD21 LEU 17 6.452 13.442 9.709 138 HD22 LEU 17 HD22 LEU 17 6.409 15.161 10.043 139 HD23 LEU 17 HD23 LEU 17 4.915 14.222 10.193 140 H LYS 18 H LYS 18 4.995 11.380 5.267 141 HA LYS 18 HA LYS 18 2.340 10.544 4.487 142 HB2 LYS 18 HB2 LYS 18 5.045 10.263 3.200 143 HB3 LYS 18 HB3 LYS 18 3.551 9.739 2.435 144 HG2 LYS 18 HG2 LYS 18 4.034 12.613 3.321 145 HG3 LYS 18 HG3 LYS 18 4.387 12.008 1.700 146 HD2 LYS 18 HD2 LYS 18 1.979 11.389 1.432 147 HD3 LYS 18 HD3 LYS 18 1.637 12.071 3.036 148 HE2 LYS 18 HE2 LYS 18 2.485 14.284 2.284 149 HE3 LYS 18 HE3 LYS 18 2.823 13.612 0.680 150 HZ1 LYS 18 HZ1 LYS 18 0.697 14.749 0.722 151 HZ2 LYS 18 HZ2 LYS 18 0.442 13.167 0.442 152 HZ3 LYS 18 HZ3 LYS 18 0.131 13.795 1.914 153 H GLU 19 H GLU 19 5.156 8.859 5.783 154 HA GLU 19 HA GLU 19 3.883 6.262 5.283 155 HB2 GLU 19 HB2 GLU 19 5.928 5.293 5.465 156 HB3 GLU 19 HB3 GLU 19 6.316 6.883 4.791 157 HG2 GLU 19 HG2 GLU 19 6.861 7.640 7.136 158 HG3 GLU 19 HG3 GLU 19 6.615 5.987 7.694 159 H GLU 20 H GLU 20 4.638 8.293 8.100 160 HA GLU 20 HA GLU 20 3.727 6.308 10.047 161 HB2 GLU 20 HB2 GLU 20 4.256 9.294 10.208 162 HB3 GLU 20 HB3 GLU 20 3.813 8.313 11.597 163 HG2 GLU 20 HG2 GLU 20 6.242 7.717 9.849 164 HG3 GLU 20 HG3 GLU 20 6.304 8.765 11.263 165 H PHE 21 H PHE 21 2.133 8.871 8.169 166 HA PHE 21 HA PHE 21 -0.214 9.000 9.801 167 HB2 PHE 21 HB2 PHE 21 0.099 10.745 8.264 168 HB3 PHE 21 HB3 PHE 21 0.199 9.666 6.884 169 HD1 PHE 21 HD1 PHE 21 -2.131 10.857 9.571 170 HD2 PHE 21 HD2 PHE 21 -1.765 9.106 5.646 171 HE1 PHE 21 HE1 PHE 21 -4.588 11.065 9.244 172 HE2 PHE 21 HE2 PHE 21 -4.216 9.312 5.323 173 HZ PHE 21 HZ PHE 21 -5.633 10.291 7.119 174 HA PRO 22 HA PRO 22 -2.061 5.297 7.338 175 HB2 PRO 22 HB2 PRO 22 0.522 3.942 6.574 176 HB3 PRO 22 HB3 PRO 22 -1.080 3.863 5.771 177 HG2 PRO 22 HG2 PRO 22 0.870 5.450 4.751 178 HG3 PRO 22 HG3 PRO 22 -0.811 6.076 4.869 179 HD2 PRO 22 HD2 PRO 22 1.517 6.576 6.731 180 HD3 PRO 22 HD3 PRO 22 0.326 7.722 6.066 181 H LYS 23 H LYS 23 1.029 4.945 9.221 182 HA LYS 23 HA LYS 23 0.146 2.571 10.619 183 HB2 LYS 23 HB2 LYS 23 2.045 4.755 11.575 184 HB3 LYS 23 HB3 LYS 23 1.827 3.164 12.303 185 HG2 LYS 23 HG2 LYS 23 2.653 2.077 10.229 186 HG3 LYS 23 HG3 LYS 23 2.857 3.668 9.481 187 HD2 LYS 23 HD2 LYS 23 4.423 4.286 11.358 188 HD3 LYS 23 HD3 LYS 23 4.324 2.611 11.931 189 HE2 LYS 23 HE2 LYS 23 5.226 1.795 9.785 190 HE3 LYS 23 HE3 LYS 23 5.225 3.439 9.128 191 HZ1 LYS 23 HZ1 LYS 23 6.843 4.061 10.855 192 HZ2 LYS 23 HZ2 LYS 23 6.876 2.525 11.421 193 HZ3 LYS 23 HZ3 LYS 23 7.426 2.844 9.923 194 H ILE 24 H ILE 24 -0.400 6.026 11.096 195 HA ILE 24 HA ILE 24 -1.892 5.729 13.571 196 HB ILE 24 HB ILE 24 -1.136 7.881 11.732 197 HG12 ILE 24 HG12 ILE 24 0.538 6.755 13.354 198 HG13 ILE 24 HG13 ILE 24 0.534 8.492 13.240 199 HG21 ILE 24 HG21 ILE 24 -3.148 8.773 12.411 200 HG22 ILE 24 HG22 ILE 24 -2.898 8.261 14.095 201 HG23 ILE 24 HG23 ILE 24 -1.920 9.576 13.402 202 HD11 ILE 24 HD11 ILE 24 -0.297 8.801 15.337 203 HD12 ILE 24 HD12 ILE 24 -1.243 7.266 15.326 204 HD13 ILE 24 HD13 ILE 24 0.513 7.242 15.567 205 H ASP 25 H ASP 25 -2.776 5.871 10.119 206 HA ASP 25 HA ASP 25 -5.540 6.353 10.431 207 HB2 ASP 25 HB2 ASP 25 -4.181 6.091 8.294 208 HB3 ASP 25 HB3 ASP 25 -4.230 4.345 8.554 209 H SER 26 H SER 26 -3.622 3.585 11.275 210 HA SER 26 HA SER 26 -5.889 1.897 12.121 211 HB2 SER 26 HB2 SER 26 -3.692 0.981 11.328 212 HB3 SER 26 HB3 SER 26 -2.944 1.670 12.789 213 HG SER 26 HG SER 26 -3.534 -0.546 13.003 214 H LEU 27 H LEU 27 -3.698 4.319 13.734 215 HA LEU 27 HA LEU 27 -4.589 3.309 16.351 216 HB2 LEU 27 HB2 LEU 27 -2.316 3.253 16.257 217 HB3 LEU 27 HB3 LEU 27 -2.209 4.698 15.260 218 HG LEU 27 HG LEU 27 -2.624 6.143 16.998 219 HD11 LEU 27 HD11 LEU 27 -3.981 4.346 18.481 220 HD12 LEU 27 HD12 LEU 27 -2.399 3.965 19.118 221 HD13 LEU 27 HD13 LEU 27 -3.044 5.621 19.261 222 HD21 LEU 27 HD21 LEU 27 -0.296 5.339 16.565 223 HD22 LEU 27 HD22 LEU 27 -0.511 5.818 18.258 224 HD23 LEU 27 HD23 LEU 27 -0.491 4.102 17.803 225 H ALA 28 H ALA 28 -4.379 6.550 14.742 226 HA ALA 28 HA ALA 28 -5.910 7.921 16.712 227 HB1 ALA 28 HB1 ALA 28 -6.416 9.525 14.844 228 HB2 ALA 28 HB2 ALA 28 -4.698 9.174 15.019 229 HB3 ALA 28 HB3 ALA 28 -5.643 8.393 13.716 230 H GLN 29 H GLN 29 -6.966 5.770 14.170 231 HA GLN 29 HA GLN 29 -9.780 6.389 14.525 232 HB2 GLN 29 HB2 GLN 29 -8.396 4.076 13.152 233 HB3 GLN 29 HB3 GLN 29 -10.144 4.294 13.148 234 HG2 GLN 29 HG2 GLN 29 -8.150 6.298 12.006 235 HG3 GLN 29 HG3 GLN 29 -9.100 5.136 11.078 236 HE21 GLN 29 HE21 GLN 29 -10.883 8.366 10.834 237 HE22 GLN 29 HE22 GLN 29 -9.307 7.749 10.346 238 H ASN 30 H ASN 30 -7.767 4.763 16.640 239 HA ASN 30 HA ASN 30 -10.030 3.280 17.853 240 HB2 ASN 30 HB2 ASN 30 -7.185 2.387 17.314 241 HB3 ASN 30 HB3 ASN 30 -8.159 1.633 18.573 242 HD21 ASN 30 HD21 ASN 30 -8.814 0.426 14.826 243 HD22 ASN 30 HD22 ASN 30 -7.456 1.477 15.233 244 H ASP 31 H ASP 31 -7.079 5.111 18.547 245 HA ASP 31 HA ASP 31 -8.059 5.467 21.374 246 HB2 ASP 31 HB2 ASP 31 -6.323 3.748 21.405 247 HB3 ASP 31 HB3 ASP 31 -5.236 4.772 20.475 248 H CYS 32 H CYS 32 -5.859 6.696 18.886 249 HA CYS 32 HA CYS 32 -4.943 8.638 18.371 250 HB2 CYS 32 HB2 CYS 32 -7.413 9.052 18.022 251 HB3 CYS 32 HB3 CYS 32 -7.444 9.902 19.565 252 HG CYS 32 HG CYS 32 -7.416 11.611 17.533 253 H ASN 33 H ASN 33 -5.757 8.646 21.808 254 HA ASN 33 HA ASN 33 -4.150 10.876 22.583 255 HB2 ASN 33 HB2 ASN 33 -5.789 9.703 24.056 256 HB3 ASN 33 HB3 ASN 33 -4.729 8.290 24.097 257 HD21 ASN 33 HD21 ASN 33 -3.226 9.648 26.981 258 HD22 ASN 33 HD22 ASN 33 -3.978 8.261 26.215 259 H SER 34 H SER 34 -3.293 7.421 22.104 260 HA SER 34 HA SER 34 -0.432 7.891 22.355 261 HB2 SER 34 HB2 SER 34 -1.829 5.582 20.988 262 HB3 SER 34 HB3 SER 34 -0.185 5.620 21.649 263 HG SER 34 HG SER 34 -2.699 5.623 22.954 264 H ALA 35 H ALA 35 -2.646 8.513 19.718 265 HA ALA 35 HA ALA 35 -0.652 8.207 17.587 266 HB1 ALA 35 HB1 ALA 35 -2.366 9.282 16.149 267 HB2 ALA 35 HB2 ALA 35 -3.187 8.051 17.092 268 HB3 ALA 35 HB3 ALA 35 -3.304 9.767 17.539 269 H LEU 36 H LEU 36 -1.866 10.788 19.659 270 HA LEU 36 HA LEU 36 -0.578 12.990 18.451 271 HB2 LEU 36 HB2 LEU 36 -2.364 13.129 20.076 272 HB3 LEU 36 HB3 LEU 36 -1.446 12.260 21.285 273 HG LEU 36 HG LEU 36 -0.837 15.094 20.411 274 HD11 LEU 36 HD11 LEU 36 -2.989 14.967 21.397 275 HD12 LEU 36 HD12 LEU 36 -2.366 14.004 22.766 276 HD13 LEU 36 HD13 LEU 36 -1.885 15.698 22.562 277 HD21 LEU 36 HD21 LEU 36 1.173 14.147 21.432 278 HD22 LEU 36 HD22 LEU 36 0.384 15.154 22.631 279 HD23 LEU 36 HD23 LEU 36 0.201 13.394 22.711 280 H ASP 37 H ASP 37 0.540 10.771 20.894 281 HA ASP 37 HA ASP 37 3.271 11.750 21.073 282 HB2 ASP 37 HB2 ASP 37 1.980 9.118 21.911 283 HB3 ASP 37 HB3 ASP 37 3.641 9.561 22.293 284 H GLN 38 H GLN 38 1.931 10.559 18.432 285 HA GLN 38 HA GLN 38 4.530 9.534 17.478 286 HB2 GLN 38 HB2 GLN 38 1.807 8.817 16.423 287 HB3 GLN 38 HB3 GLN 38 3.330 8.253 15.737 288 HG2 GLN 38 HG2 GLN 38 2.499 7.690 18.608 289 HG3 GLN 38 HG3 GLN 38 2.034 6.643 17.280 290 HE21 GLN 38 HE21 GLN 38 5.932 6.589 18.594 291 HE22 GLN 38 HE22 GLN 38 4.879 7.925 19.077 292 H LEU 39 H LEU 39 1.517 11.140 16.139 293 HA LEU 39 HA LEU 39 3.018 12.172 13.932 294 HB2 LEU 39 HB2 LEU 39 0.470 13.316 15.180 295 HB3 LEU 39 HB3 LEU 39 1.124 13.750 13.607 296 HG LEU 39 HG LEU 39 -0.166 11.137 14.440 297 HD11 LEU 39 HD11 LEU 39 -0.737 13.118 12.184 298 HD12 LEU 39 HD12 LEU 39 -1.705 11.695 12.601 299 HD13 LEU 39 HD13 LEU 39 -1.605 13.048 13.733 300 HD21 LEU 39 HD21 LEU 39 1.746 10.502 12.995 301 HD22 LEU 39 HD22 LEU 39 0.268 10.426 12.022 302 HD23 LEU 39 HD23 LEU 39 1.366 11.809 11.856 303 H LEU 40 H LEU 40 2.405 13.775 17.139 304 HA LEU 40 HA LEU 40 3.634 16.229 16.023 305 HB2 LEU 40 HB2 LEU 40 2.695 15.809 18.857 306 HB3 LEU 40 HB3 LEU 40 3.075 17.311 18.052 307 HG LEU 40 HG LEU 40 0.798 17.430 17.970 308 HD11 LEU 40 HD11 LEU 40 -0.161 16.964 15.829 309 HD12 LEU 40 HD12 LEU 40 1.541 17.391 15.534 310 HD13 LEU 40 HD13 LEU 40 1.020 15.721 15.459 311 HD21 LEU 40 HD21 LEU 40 0.369 14.540 17.321 312 HD22 LEU 40 HD22 LEU 40 0.640 15.128 18.967 313 HD23 LEU 40 HD23 LEU 40 -0.730 15.744 18.041 314 H VAL 41 H VAL 41 4.733 13.445 17.583 315 HA VAL 41 HA VAL 41 7.204 14.465 18.686 316 HB VAL 41 HB VAL 41 6.358 11.728 17.731 317 HG11 VAL 41 HG11 VAL 41 8.803 11.790 17.526 318 HG12 VAL 41 HG12 VAL 41 8.948 12.514 19.142 319 HG13 VAL 41 HG13 VAL 41 8.356 10.847 18.947 320 HG21 VAL 41 HG21 VAL 41 6.393 11.266 20.206 321 HG22 VAL 41 HG22 VAL 41 6.785 12.969 20.496 322 HG23 VAL 41 HG23 VAL 41 5.225 12.522 19.766 323 H LEU 42 H LEU 42 6.088 13.561 15.455 324 HA LEU 42 HA LEU 42 8.594 13.793 14.099 325 HB2 LEU 42 HB2 LEU 42 5.834 14.472 13.075 326 HB3 LEU 42 HB3 LEU 42 7.248 14.109 12.106 327 HG LEU 42 HG LEU 42 5.918 12.115 13.997 328 HD11 LEU 42 HD11 LEU 42 4.499 12.711 11.992 329 HD12 LEU 42 HD12 LEU 42 5.757 11.948 10.993 330 HD13 LEU 42 HD13 LEU 42 4.908 11.006 12.210 331 HD21 LEU 42 HD21 LEU 42 8.218 11.981 12.059 332 HD22 LEU 42 HD22 LEU 42 8.194 11.522 13.768 333 HD23 LEU 42 HD23 LEU 42 7.356 10.508 12.589 334 H GLU 43 H GLU 43 5.932 16.230 14.414 335 HA GLU 43 HA GLU 43 7.275 18.523 13.523 336 HB2 GLU 43 HB2 GLU 43 4.961 18.621 14.248 337 HB3 GLU 43 HB3 GLU 43 5.398 18.212 15.887 338 HG2 GLU 43 HG2 GLU 43 4.947 20.595 15.772 339 HG3 GLU 43 HG3 GLU 43 6.643 20.306 16.118 340 H LYS 44 H LYS 44 7.472 17.151 16.790 341 HA LYS 44 HA LYS 44 9.268 19.076 17.936 342 HB2 LYS 44 HB2 LYS 44 8.478 16.219 18.541 343 HB3 LYS 44 HB3 LYS 44 9.706 17.033 19.528 344 HG2 LYS 44 HG2 LYS 44 8.150 18.791 20.159 345 HG3 LYS 44 HG3 LYS 44 6.942 18.217 19.025 346 HD2 LYS 44 HD2 LYS 44 6.279 17.550 21.249 347 HD3 LYS 44 HD3 LYS 44 6.665 16.132 20.292 348 HE2 LYS 44 HE2 LYS 44 7.564 15.748 22.463 349 HE3 LYS 44 HE3 LYS 44 8.942 16.045 21.404 350 HZ1 LYS 44 HZ1 LYS 44 9.002 18.336 22.293 351 HZ2 LYS 44 HZ2 LYS 44 7.722 18.025 23.258 352 HZ3 LYS 44 HZ3 LYS 44 9.127 17.248 23.497 353 H LYS 45 H LYS 45 10.002 16.053 16.205 354 HA LYS 45 HA LYS 45 12.907 16.338 16.467 355 HB2 LYS 45 HB2 LYS 45 11.710 14.163 16.245 356 HB3 LYS 45 HB3 LYS 45 11.156 14.616 14.636 357 HG2 LYS 45 HG2 LYS 45 13.513 14.711 13.843 358 HG3 LYS 45 HG3 LYS 45 14.081 14.307 15.476 359 HD2 LYS 45 HD2 LYS 45 12.889 12.134 15.357 360 HD3 LYS 45 HD3 LYS 45 12.302 12.541 13.726 361 HE2 LYS 45 HE2 LYS 45 14.649 12.690 12.919 362 HE3 LYS 45 HE3 LYS 45 15.239 12.315 14.541 363 HZ1 LYS 45 HZ1 LYS 45 13.606 10.497 12.858 364 HZ2 LYS 45 HZ2 LYS 45 15.199 10.343 13.150 365 HZ3 LYS 45 HZ3 LYS 45 14.135 10.147 14.364 366 H THR 46 H THR 46 10.639 16.847 13.773 367 HA THR 46 HA THR 46 12.424 17.641 11.718 368 HB THR 46 HB THR 46 10.509 18.662 10.659 369 HG1 THR 46 HG1 THR 46 9.132 17.817 12.962 370 HG21 THR 46 HG21 THR 46 10.773 16.286 10.373 371 HG22 THR 46 HG22 THR 46 10.006 15.920 11.903 372 HG23 THR 46 HG23 THR 46 9.041 16.683 10.616 373 H ARG 47 H ARG 47 10.765 19.819 14.109 374 HA ARG 47 HA ARG 47 12.016 22.181 13.069 375 HB2 ARG 47 HB2 ARG 47 10.057 22.084 14.736 376 HB3 ARG 47 HB3 ARG 47 11.229 21.869 16.032 377 HG2 ARG 47 HG2 ARG 47 11.443 24.152 14.047 378 HG3 ARG 47 HG3 ARG 47 10.362 24.245 15.431 379 HD2 ARG 47 HD2 ARG 47 12.093 24.255 17.003 380 HD3 ARG 47 HD3 ARG 47 13.307 23.658 15.891 381 HE ARG 47 HE ARG 47 12.340 26.397 16.171 382 HH11 ARG 47 HH11 ARG 47 14.314 24.272 14.119 383 HH12 ARG 47 HH12 ARG 47 14.942 25.637 13.240 384 HH21 ARG 47 HH21 ARG 47 13.072 28.034 14.742 385 HH22 ARG 47 HH22 ARG 47 14.273 27.610 13.566 386 H GLN 48 H GLN 48 13.143 19.914 15.535 387 HA GLN 48 HA GLN 48 15.445 21.483 16.279 388 HB2 GLN 48 HB2 GLN 48 14.657 18.592 16.813 389 HB3 GLN 48 HB3 GLN 48 16.108 19.340 17.488 390 HG2 GLN 48 HG2 GLN 48 13.293 20.427 17.929 391 HG3 GLN 48 HG3 GLN 48 14.095 19.299 19.009 392 HE21 GLN 48 HE21 GLN 48 14.640 22.541 20.585 393 HE22 GLN 48 HE22 GLN 48 13.318 21.417 20.311 394 H ALA 49 H ALA 49 15.001 18.691 14.124 395 HA ALA 49 HA ALA 49 17.765 18.295 13.516 396 HB1 ALA 49 HB1 ALA 49 16.795 16.673 11.907 397 HB2 ALA 49 HB2 ALA 49 16.033 16.539 13.502 398 HB3 ALA 49 HB3 ALA 49 15.179 17.371 12.187 399 H SER 50 H SER 50 15.720 20.774 12.447 400 HA SER 50 HA SER 50 15.550 22.132 10.698 401 HB2 SER 50 HB2 SER 50 18.382 21.432 9.907 402 HB3 SER 50 HB3 SER 50 17.420 22.824 9.373 403 HG SER 50 HG SER 50 18.262 22.232 12.017 404 H ASP 51 H ASP 51 14.756 19.383 10.462 405 HA ASP 51 HA ASP 51 14.700 18.846 7.526 406 HB2 ASP 51 HB2 ASP 51 13.614 17.319 9.919 407 HB3 ASP 51 HB3 ASP 51 13.375 16.833 8.240 408 H LEU 52 H LEU 52 13.252 20.907 9.471 409 HA LEU 52 HA LEU 52 10.647 20.661 9.644 410 HB2 LEU 52 HB2 LEU 52 10.828 23.373 9.340 411 HB3 LEU 52 HB3 LEU 52 11.059 22.415 10.814 412 HG LEU 52 HG LEU 52 13.479 22.441 10.463 413 HD11 LEU 52 HD11 LEU 52 12.882 24.382 8.184 414 HD12 LEU 52 HD12 LEU 52 14.498 23.920 8.795 415 HD13 LEU 52 HD13 LEU 52 13.479 22.735 7.960 416 HD21 LEU 52 HD21 LEU 52 13.801 24.809 11.011 417 HD22 LEU 52 HD22 LEU 52 12.169 25.181 10.411 418 HD23 LEU 52 HD23 LEU 52 12.379 24.149 11.839 419 H ALA 53 H ALA 53 11.883 21.123 6.512 420 HA ALA 53 HA ALA 53 9.565 22.214 5.207 421 HB1 ALA 53 HB1 ALA 53 11.373 19.939 4.305 422 HB2 ALA 53 HB2 ALA 53 10.295 20.901 3.268 423 HB3 ALA 53 HB3 ALA 53 11.691 21.680 4.049 424 H SER 54 H SER 54 10.102 19.176 6.848 425 HA SER 54 HA SER 54 7.520 17.913 6.145 426 HB2 SER 54 HB2 SER 54 8.209 16.363 8.061 427 HB3 SER 54 HB3 SER 54 9.321 16.425 6.683 428 HG SER 54 HG SER 54 10.729 17.711 7.829 429 H SER 55 H SER 55 8.952 19.351 9.163 430 HA SER 55 HA SER 55 6.897 19.586 10.900 431 HB2 SER 55 HB2 SER 55 8.988 20.679 11.455 432 HB3 SER 55 HB3 SER 55 8.852 21.769 10.093 433 HG SER 55 HG SER 55 7.057 21.704 12.216 434 H LYS 56 H LYS 56 7.330 21.722 8.132 435 HA LYS 56 HA LYS 56 5.213 23.543 8.607 436 HB2 LYS 56 HB2 LYS 56 7.086 23.691 6.924 437 HB3 LYS 56 HB3 LYS 56 6.207 22.564 5.884 438 HG2 LYS 56 HG2 LYS 56 4.336 24.180 5.705 439 HG3 LYS 56 HG3 LYS 56 5.169 25.289 6.803 440 HD2 LYS 56 HD2 LYS 56 6.212 24.385 4.079 441 HD3 LYS 56 HD3 LYS 56 5.338 25.895 4.388 442 HE2 LYS 56 HE2 LYS 56 7.124 26.596 5.990 443 HE3 LYS 56 HE3 LYS 56 8.030 25.126 5.606 444 HZ1 LYS 56 HZ1 LYS 56 7.330 27.248 3.654 445 HZ2 LYS 56 HZ2 LYS 56 8.808 26.999 4.285 446 HZ3 LYS 56 HZ3 LYS 56 8.153 25.888 3.294 447 H GLU 57 H GLU 57 4.903 20.259 7.437 448 HA GLU 57 HA GLU 57 2.072 20.578 6.644 449 HB2 GLU 57 HB2 GLU 57 3.957 18.220 6.585 450 HB3 GLU 57 HB3 GLU 57 2.297 18.166 6.023 451 HG2 GLU 57 HG2 GLU 57 4.476 19.981 4.910 452 HG3 GLU 57 HG3 GLU 57 3.982 18.446 4.200 453 H VAL 58 H VAL 58 4.027 19.240 9.309 454 HA VAL 58 HA VAL 58 1.858 17.753 10.573 455 HB VAL 58 HB VAL 58 4.141 18.913 12.155 456 HG11 VAL 58 HG11 VAL 58 3.833 16.825 13.459 457 HG12 VAL 58 HG12 VAL 58 2.317 17.720 13.350 458 HG13 VAL 58 HG13 VAL 58 2.581 16.290 12.332 459 HG21 VAL 58 HG21 VAL 58 4.321 16.377 10.558 460 HG22 VAL 58 HG22 VAL 58 5.257 17.871 10.254 461 HG23 VAL 58 HG23 VAL 58 5.514 16.952 11.739 462 H LEU 59 H LEU 59 3.270 20.983 11.047 463 HA LEU 59 HA LEU 59 2.073 21.640 13.373 464 HB2 LEU 59 HB2 LEU 59 4.114 22.342 12.215 465 HB3 LEU 59 HB3 LEU 59 3.160 23.052 10.900 466 HG LEU 59 HG LEU 59 2.288 24.647 12.334 467 HD11 LEU 59 HD11 LEU 59 2.165 23.615 14.500 468 HD12 LEU 59 HD12 LEU 59 3.877 23.169 14.469 469 HD13 LEU 59 HD13 LEU 59 3.394 24.878 14.716 470 HD21 LEU 59 HD21 LEU 59 4.473 25.883 12.643 471 HD22 LEU 59 HD22 LEU 59 5.310 24.317 12.541 472 HD23 LEU 59 HD23 LEU 59 4.451 24.929 11.127 473 H ALA 60 H ALA 60 0.758 22.025 10.115 474 HA ALA 60 HA ALA 60 -1.465 23.656 10.861 475 HB1 ALA 60 HB1 ALA 60 -0.598 23.505 8.559 476 HB2 ALA 60 HB2 ALA 60 -0.995 21.772 8.506 477 HB3 ALA 60 HB3 ALA 60 -2.294 22.982 8.592 478 H LYS 61 H LYS 61 -0.905 20.302 11.368 479 HA LYS 61 HA LYS 61 -3.696 19.964 12.227 480 HB2 LYS 61 HB2 LYS 61 -4.007 18.258 11.023 481 HB3 LYS 61 HB3 LYS 61 -2.454 18.501 10.264 482 HG2 LYS 61 HG2 LYS 61 -2.877 16.704 12.694 483 HG3 LYS 61 HG3 LYS 61 -3.090 16.168 11.052 484 HD2 LYS 61 HD2 LYS 61 -0.486 17.205 12.205 485 HD3 LYS 61 HD3 LYS 61 -0.904 15.517 11.961 486 HE2 LYS 61 HE2 LYS 61 -0.603 17.610 9.760 487 HE3 LYS 61 HE3 LYS 61 0.560 16.347 10.158 488 HZ1 LYS 61 HZ1 LYS 61 -0.795 15.718 8.258 489 HZ2 LYS 61 HZ2 LYS 61 -1.076 14.678 9.473 490 HZ3 LYS 61 HZ3 LYS 61 -2.174 15.831 9.104 491 H ILE 62 H ILE 62 -0.658 20.410 13.469 492 HA ILE 62 HA ILE 62 -0.798 19.019 15.835 493 HB ILE 62 HB ILE 62 0.644 21.180 14.865 494 HG12 ILE 62 HG12 ILE 62 1.384 20.979 17.567 495 HG13 ILE 62 HG13 ILE 62 0.634 19.456 17.239 496 HG21 ILE 62 HG21 ILE 62 -0.924 22.853 15.489 497 HG22 ILE 62 HG22 ILE 62 -0.771 22.389 17.217 498 HG23 ILE 62 HG23 ILE 62 0.611 23.045 16.325 499 HD11 ILE 62 HD11 ILE 62 2.920 19.201 16.482 500 HD12 ILE 62 HD12 ILE 62 1.917 19.424 14.988 501 HD13 ILE 62 HD13 ILE 62 2.853 20.768 15.628 502 H VAL 63 H VAL 63 -2.843 21.700 14.836 503 HA VAL 63 HA VAL 63 -4.126 21.945 17.439 504 HB VAL 63 HB VAL 63 -3.798 23.717 15.720 505 HG11 VAL 63 HG11 VAL 63 -6.347 22.630 14.504 506 HG12 VAL 63 HG12 VAL 63 -5.459 24.103 14.047 507 HG13 VAL 63 HG13 VAL 63 -4.735 22.504 13.767 508 HG21 VAL 63 HG21 VAL 63 -6.421 24.342 16.374 509 HG22 VAL 63 HG22 VAL 63 -5.891 23.221 17.659 510 HG23 VAL 63 HG23 VAL 63 -4.949 24.668 17.314 511 H ASP 64 H ASP 64 -4.498 19.685 14.951 512 HA ASP 64 HA ASP 64 -7.271 19.057 15.581 513 HB2 ASP 64 HB2 ASP 64 -5.399 17.828 13.524 514 HB3 ASP 64 HB3 ASP 64 -7.073 17.353 13.767 515 H LEU 65 H LEU 65 -4.102 17.913 16.415 516 HA LEU 65 HA LEU 65 -5.322 15.588 17.885 517 HB2 LEU 65 HB2 LEU 65 -2.542 15.959 16.781 518 HB3 LEU 65 HB3 LEU 65 -2.871 14.907 18.161 519 HG LEU 65 HG LEU 65 -4.616 13.720 16.666 520 HD11 LEU 65 HD11 LEU 65 -2.926 15.096 14.537 521 HD12 LEU 65 HD12 LEU 65 -4.088 13.772 14.257 522 HD13 LEU 65 HD13 LEU 65 -4.662 15.341 14.830 523 HD21 LEU 65 HD21 LEU 65 -2.853 12.276 15.723 524 HD22 LEU 65 HD22 LEU 65 -1.640 13.488 16.190 525 HD23 LEU 65 HD23 LEU 65 -2.617 12.663 17.426 526 H LEU 66 H LEU 66 -2.747 18.125 18.302 527 HA LEU 66 HA LEU 66 -2.378 17.527 21.031 528 HB2 LEU 66 HB2 LEU 66 -0.970 18.811 19.153 529 HB3 LEU 66 HB3 LEU 66 -1.743 20.219 19.833 530 HG LEU 66 HG LEU 66 -0.726 19.664 22.046 531 HD11 LEU 66 HD11 LEU 66 0.756 17.518 20.461 532 HD12 LEU 66 HD12 LEU 66 1.135 18.045 22.120 533 HD13 LEU 66 HD13 LEU 66 -0.388 17.232 21.789 534 HD21 LEU 66 HD21 LEU 66 1.115 19.889 19.621 535 HD22 LEU 66 HD22 LEU 66 0.404 21.228 20.558 536 HD23 LEU 66 HD23 LEU 66 1.633 20.185 21.277 537 H ALA 67 H ALA 67 -4.002 20.526 19.708 538 HA ALA 67 HA ALA 67 -5.285 21.262 22.153 539 HB1 ALA 67 HB1 ALA 67 -5.089 22.668 20.077 540 HB2 ALA 67 HB2 ALA 67 -6.159 21.541 19.238 541 HB3 ALA 67 HB3 ALA 67 -6.790 22.519 20.568 542 H SER 68 H SER 68 -6.090 18.679 20.003 543 HA SER 68 HA SER 68 -8.884 18.474 20.736 544 HB2 SER 68 HB2 SER 68 -8.204 17.844 18.531 545 HB3 SER 68 HB3 SER 68 -7.062 16.643 19.159 546 HG SER 68 HG SER 68 -9.197 15.911 18.395 547 H ARG 69 H ARG 69 -5.946 16.661 21.684 548 HA ARG 69 HA ARG 69 -7.564 14.865 23.446 549 HB2 ARG 69 HB2 ARG 69 -4.636 14.704 22.776 550 HB3 ARG 69 HB3 ARG 69 -5.578 13.478 23.593 551 HG2 ARG 69 HG2 ARG 69 -5.873 14.268 20.657 552 HG3 ARG 69 HG3 ARG 69 -5.082 12.846 21.297 553 HD2 ARG 69 HD2 ARG 69 -7.124 11.996 20.651 554 HD3 ARG 69 HD3 ARG 69 -7.352 12.241 22.385 555 HE ARG 69 HE ARG 69 -8.220 14.426 20.549 556 HH11 ARG 69 HH11 ARG 69 -9.350 11.657 22.396 557 HH12 ARG 69 HH12 ARG 69 -11.005 12.195 22.295 558 HH21 ARG 69 HH21 ARG 69 -10.302 15.026 20.500 559 HH22 ARG 69 HH22 ARG 69 -11.527 14.019 21.241 560 H ASN 70 H ASN 70 -7.194 17.610 24.016 561 HA ASN 70 HA ASN 70 -6.850 19.040 25.575 562 HB2 ASN 70 HB2 ASN 70 -6.729 16.693 27.487 563 HB3 ASN 70 HB3 ASN 70 -7.002 18.357 27.972 564 HD21 ASN 70 HD21 ASN 70 -10.270 16.494 27.583 565 HD22 ASN 70 HD22 ASN 70 -8.760 16.019 28.340 566 H LYS 71 H LYS 71 -4.433 18.289 24.208 567 HA LYS 71 HA LYS 71 -2.496 19.407 26.131 568 HB2 LYS 71 HB2 LYS 71 -1.937 18.020 23.487 569 HB3 LYS 71 HB3 LYS 71 -0.719 18.712 24.556 570 HG2 LYS 71 HG2 LYS 71 -2.521 16.336 25.183 571 HG3 LYS 71 HG3 LYS 71 -0.806 16.294 24.775 572 HD2 LYS 71 HD2 LYS 71 -0.297 17.607 26.865 573 HD3 LYS 71 HD3 LYS 71 -2.015 17.570 27.270 574 HE2 LYS 71 HE2 LYS 71 -1.079 15.863 28.562 575 HE3 LYS 71 HE3 LYS 71 -1.936 15.046 27.250 576 HZ1 LYS 71 HZ1 LYS 71 0.238 14.743 26.151 577 HZ2 LYS 71 HZ2 LYS 71 1.001 15.515 27.375 578 HZ3 LYS 71 HZ3 LYS 71 0.262 14.094 27.640 579 H TRP 72 H TRP 72 -4.668 20.842 24.974 580 HA TRP 72 HA TRP 72 -3.871 22.788 23.095 581 HB2 TRP 72 HB2 TRP 72 -5.425 24.241 24.751 582 HB3 TRP 72 HB3 TRP 72 -6.041 23.069 23.598 583 HD1 TRP 72 HD1 TRP 72 -7.693 21.440 24.412 584 HE1 TRP 72 HE1 TRP 72 -8.534 20.582 26.662 585 HE3 TRP 72 HE3 TRP 72 -4.444 23.945 27.498 586 HZ2 TRP 72 HZ2 TRP 72 -7.829 20.859 29.461 587 HZ3 TRP 72 HZ3 TRP 72 -4.544 23.607 29.948 588 HH2 TRP 72 HH2 TRP 72 -6.218 22.060 30.941 589 H ASP 73 H ASP 73 -2.761 22.479 26.422 590 HA ASP 73 HA ASP 73 -1.532 25.018 26.743 591 HB2 ASP 73 HB2 ASP 73 -1.888 23.205 28.450 592 HB3 ASP 73 HB3 ASP 73 -0.628 22.253 27.670 593 H ASP 74 H ASP 74 -0.526 22.209 24.806 594 HA ASP 74 HA ASP 74 2.114 23.326 24.286 595 HB2 ASP 74 HB2 ASP 74 0.849 20.732 23.406 596 HB3 ASP 74 HB3 ASP 74 2.508 21.241 23.059 597 H LEU 75 H LEU 75 -0.966 23.774 22.812 598 HA LEU 75 HA LEU 75 -0.026 24.279 20.130 599 HB2 LEU 75 HB2 LEU 75 -2.455 24.755 21.701 600 HB3 LEU 75 HB3 LEU 75 -2.052 26.078 20.605 601 HG LEU 75 HG LEU 75 -3.600 24.257 19.763 602 HD11 LEU 75 HD11 LEU 75 -2.552 24.181 17.498 603 HD12 LEU 75 HD12 LEU 75 -2.691 25.791 18.222 604 HD13 LEU 75 HD13 LEU 75 -1.116 24.960 18.180 605 HD21 LEU 75 HD21 LEU 75 -2.773 22.183 18.981 606 HD22 LEU 75 HD22 LEU 75 -1.125 22.579 19.462 607 HD23 LEU 75 HD23 LEU 75 -2.373 22.349 20.703 608 H ASN 76 H ASN 76 -0.179 26.275 23.045 609 HA ASN 76 HA ASN 76 1.167 28.600 22.136 610 HB2 ASN 76 HB2 ASN 76 0.538 28.974 24.298 611 HB3 ASN 76 HB3 ASN 76 0.473 27.260 24.645 612 HD21 ASN 76 HD21 ASN 76 3.377 27.208 26.537 613 HD22 ASN 76 HD22 ASN 76 1.932 26.359 25.969 614 H GLU 77 H GLU 77 2.547 25.573 23.400 615 HA GLU 77 HA GLU 77 5.273 26.235 23.020 616 HB2 GLU 77 HB2 GLU 77 4.308 24.206 24.271 617 HB3 GLU 77 HB3 GLU 77 4.169 23.443 22.685 618 HG2 GLU 77 HG2 GLU 77 6.213 22.690 23.674 619 HG3 GLU 77 HG3 GLU 77 6.614 23.743 22.326 620 H GLN 78 H GLN 78 2.900 24.962 20.674 621 HA GLN 78 HA GLN 78 4.919 24.467 18.671 622 HB2 GLN 78 HB2 GLN 78 2.087 23.949 19.007 623 HB3 GLN 78 HB3 GLN 78 2.339 24.736 17.441 624 HG2 GLN 78 HG2 GLN 78 2.694 22.481 16.998 625 HG3 GLN 78 HG3 GLN 78 4.281 23.140 17.042 626 HE21 GLN 78 HE21 GLN 78 3.901 21.189 20.572 627 HE22 GLN 78 HE22 GLN 78 3.013 22.683 20.358 628 H LEU 79 H LEU 79 2.831 27.247 19.274 629 HA LEU 79 HA LEU 79 3.750 28.792 17.006 630 HB2 LEU 79 HB2 LEU 79 2.434 29.317 19.670 631 HB3 LEU 79 HB3 LEU 79 3.030 30.670 18.722 632 HG LEU 79 HG LEU 79 1.513 30.370 16.973 633 HD11 LEU 79 HD11 LEU 79 0.612 27.689 18.100 634 HD12 LEU 79 HD12 LEU 79 -0.136 28.556 16.746 635 HD13 LEU 79 HD13 LEU 79 1.513 27.925 16.593 636 HD21 LEU 79 HD21 LEU 79 0.142 29.622 19.586 637 HD22 LEU 79 HD22 LEU 79 0.618 31.253 19.100 638 HD23 LEU 79 HD23 LEU 79 -0.640 30.411 18.182 639 H THR 80 H THR 80 5.053 28.068 20.212 640 HA THR 80 HA THR 80 7.239 29.974 20.122 641 HB THR 80 HB THR 80 6.485 27.617 21.849 642 HG1 THR 80 HG1 THR 80 5.272 29.303 22.241 643 HG21 THR 80 HG21 THR 80 8.922 29.381 22.014 644 HG22 THR 80 HG22 THR 80 8.271 28.423 23.382 645 HG23 THR 80 HG23 THR 80 8.828 27.596 21.912 646 H LEU 81 H LEU 81 6.972 26.470 19.387 647 HA LEU 81 HA LEU 81 9.451 25.427 19.110 648 HB2 LEU 81 HB2 LEU 81 6.883 25.018 17.851 649 HB3 LEU 81 HB3 LEU 81 8.174 24.702 16.710 650 HG LEU 81 HG LEU 81 9.243 23.182 18.409 651 HD11 LEU 81 HD11 LEU 81 6.535 23.330 19.766 652 HD12 LEU 81 HD12 LEU 81 7.916 22.325 20.230 653 HD13 LEU 81 HD13 LEU 81 7.995 24.097 20.421 654 HD21 LEU 81 HD21 LEU 81 6.428 22.628 17.363 655 HD22 LEU 81 HD22 LEU 81 7.966 22.354 16.551 656 HD23 LEU 81 HD23 LEU 81 7.530 21.375 17.966 657 H LEU 82 H LEU 82 8.127 26.822 16.166 658 HA LEU 82 HA LEU 82 10.653 26.963 14.965 659 HB2 LEU 82 HB2 LEU 82 8.113 28.543 14.421 660 HB3 LEU 82 HB3 LEU 82 9.510 28.669 13.353 661 HG LEU 82 HG LEU 82 8.180 26.017 13.982 662 HD11 LEU 82 HD11 LEU 82 7.624 27.924 11.668 663 HD12 LEU 82 HD12 LEU 82 7.017 26.259 11.808 664 HD13 LEU 82 HD13 LEU 82 6.501 27.489 12.976 665 HD21 LEU 82 HD21 LEU 82 9.913 26.923 11.628 666 HD22 LEU 82 HD22 LEU 82 10.491 25.941 12.983 667 HD23 LEU 82 HD23 LEU 82 9.267 25.290 11.895 668 H SER 83 H SER 83 9.102 29.360 16.956 669 HA SER 83 HA SER 83 10.895 31.568 16.364 670 HB2 SER 83 HB2 SER 83 8.488 31.749 17.124 671 HB3 SER 83 HB3 SER 83 9.022 31.237 18.736 672 HG SER 83 HG SER 83 10.558 33.030 18.586 673 H LYS 84 H LYS 84 11.454 28.786 18.252 674 HA LYS 84 HA LYS 84 12.827 29.766 20.520 675 HB2 LYS 84 HB2 LYS 84 13.220 27.236 18.875 676 HB3 LYS 84 HB3 LYS 84 14.047 27.529 20.408 677 HG2 LYS 84 HG2 LYS 84 11.957 27.621 21.635 678 HG3 LYS 84 HG3 LYS 84 11.026 27.497 20.134 679 HD2 LYS 84 HD2 LYS 84 12.052 25.283 19.666 680 HD3 LYS 84 HD3 LYS 84 12.882 25.337 21.224 681 HE2 LYS 84 HE2 LYS 84 9.864 25.650 20.937 682 HE3 LYS 84 HE3 LYS 84 10.618 24.056 21.018 683 HZ1 LYS 84 HZ1 LYS 84 9.877 24.860 23.233 684 HZ2 LYS 84 HZ2 LYS 84 11.481 24.585 23.207 685 HZ3 LYS 84 HZ3 LYS 84 10.921 26.113 23.161 686 H LYS 85 H LYS 85 14.319 28.850 17.400 687 HA LYS 85 HA LYS 85 17.012 29.161 18.419 688 HB2 LYS 85 HB2 LYS 85 16.072 28.872 15.537 689 HB3 LYS 85 HB3 LYS 85 17.712 28.638 16.117 690 HG2 LYS 85 HG2 LYS 85 15.317 26.914 16.896 691 HG3 LYS 85 HG3 LYS 85 16.517 26.534 15.665 692 HD2 LYS 85 HD2 LYS 85 18.294 26.449 17.382 693 HD3 LYS 85 HD3 LYS 85 17.097 26.830 18.645 694 HE2 LYS 85 HE2 LYS 85 15.803 24.797 18.049 695 HE3 LYS 85 HE3 LYS 85 16.956 24.423 16.762 696 HZ1 LYS 85 HZ1 LYS 85 18.657 24.076 18.430 697 HZ2 LYS 85 HZ2 LYS 85 17.661 24.527 19.643 698 HZ3 LYS 85 HZ3 LYS 85 17.354 23.159 18.800 699 H HIS 86 H HIS 86 14.911 31.445 16.862 700 HA HIS 86 HA HIS 86 17.108 33.460 16.761 701 HB2 HIS 86 HB2 HIS 86 15.251 32.887 14.413 702 HB3 HIS 86 HB3 HIS 86 16.472 34.150 14.495 703 HD2 HIS 86 HD2 HIS 86 19.134 32.984 14.981 704 HE1 HIS 86 HE1 HIS 86 18.258 29.745 12.343 705 HE2 HIS 86 HE2 HIS 86 20.120 31.021 13.523 706 H GLY 87 H GLY 87 16.525 35.477 17.267 707 HA2 GLY 87 HA2 GLY 87 13.863 36.141 18.223 708 HA3 GLY 87 HA3 GLY 87 15.270 37.201 18.147 709 H GLN 88 H GLN 88 13.602 35.474 15.486 710 HA GLN 88 HA GLN 88 13.767 37.773 13.748 711 HB2 GLN 88 HB2 GLN 88 12.826 36.334 12.071 712 HB3 GLN 88 HB3 GLN 88 14.052 35.448 12.974 713 HG2 GLN 88 HG2 GLN 88 12.238 34.315 14.284 714 HG3 GLN 88 HG3 GLN 88 11.026 35.179 13.337 715 HE21 GLN 88 HE21 GLN 88 11.333 31.855 11.758 716 HE22 GLN 88 HE22 GLN 88 10.737 32.505 13.279 717 H LEU 89 H LEU 89 11.947 38.540 12.494 718 HA LEU 89 HA LEU 89 9.943 39.799 14.076 719 HB2 LEU 89 HB2 LEU 89 10.809 40.868 12.200 720 HB3 LEU 89 HB3 LEU 89 10.471 39.531 11.102 721 HG LEU 89 HG LEU 89 8.187 41.027 12.416 722 HD11 LEU 89 HD11 LEU 89 8.167 42.599 10.535 723 HD12 LEU 89 HD12 LEU 89 9.683 42.744 11.430 724 HD13 LEU 89 HD13 LEU 89 9.652 41.866 9.886 725 HD21 LEU 89 HD21 LEU 89 7.150 40.544 10.127 726 HD22 LEU 89 HD22 LEU 89 8.533 39.503 9.797 727 HD23 LEU 89 HD23 LEU 89 7.419 39.129 11.128 728 H LYS 90 H LYS 90 8.188 38.988 14.933 729 HA LYS 90 HA LYS 90 7.408 36.315 14.545 730 HB2 LYS 90 HB2 LYS 90 7.052 37.749 16.652 731 HB3 LYS 90 HB3 LYS 90 5.678 38.482 15.827 732 HG2 LYS 90 HG2 LYS 90 4.796 36.857 17.294 733 HG3 LYS 90 HG3 LYS 90 4.585 36.262 15.675 734 HD2 LYS 90 HD2 LYS 90 5.220 34.357 16.661 735 HD3 LYS 90 HD3 LYS 90 6.817 34.891 16.156 736 HE2 LYS 90 HE2 LYS 90 5.723 35.604 18.906 737 HE3 LYS 90 HE3 LYS 90 6.254 33.956 18.602 738 HZ1 LYS 90 HZ1 LYS 90 8.480 34.684 18.152 739 HZ2 LYS 90 HZ2 LYS 90 8.079 36.280 18.130 740 HZ3 LYS 90 HZ3 LYS 90 8.046 35.447 19.520 741 H LEU 91 H LEU 91 6.079 39.126 12.867 742 HA LEU 91 HA LEU 91 3.675 38.143 11.999 743 HB2 LEU 91 HB2 LEU 91 5.235 40.371 11.415 744 HB3 LEU 91 HB3 LEU 91 5.061 39.570 9.859 745 HG LEU 91 HG LEU 91 3.390 41.224 10.063 746 HD11 LEU 91 HD11 LEU 91 1.946 38.605 10.599 747 HD12 LEU 91 HD12 LEU 91 1.323 40.032 9.751 748 HD13 LEU 91 HD13 LEU 91 2.641 39.083 9.034 749 HD21 LEU 91 HD21 LEU 91 3.364 41.510 12.487 750 HD22 LEU 91 HD22 LEU 91 1.725 41.298 11.868 751 HD23 LEU 91 HD23 LEU 91 2.536 39.955 12.685 752 H SER 92 H SER 92 6.814 37.073 10.864 753 HA SER 92 HA SER 92 5.882 35.659 8.516 754 HB2 SER 92 HB2 SER 92 8.232 36.437 8.922 755 HB3 SER 92 HB3 SER 92 8.350 35.314 10.283 756 HG SER 92 HG SER 92 8.070 34.707 7.520 757 H ILE 93 H ILE 93 6.023 34.797 11.913 758 HA ILE 93 HA ILE 93 5.092 32.040 11.278 759 HB ILE 93 HB ILE 93 7.340 32.369 12.314 760 HG12 ILE 93 HG12 ILE 93 5.824 30.239 12.428 761 HG13 ILE 93 HG13 ILE 93 7.361 30.361 13.237 762 HG21 ILE 93 HG21 ILE 93 5.784 33.106 14.789 763 HG22 ILE 93 HG22 ILE 93 7.521 32.708 14.722 764 HG23 ILE 93 HG23 ILE 93 6.918 34.127 13.860 765 HD11 ILE 93 HD11 ILE 93 4.732 30.800 14.696 766 HD12 ILE 93 HD12 ILE 93 5.606 29.262 14.615 767 HD13 ILE 93 HD13 ILE 93 6.361 30.662 15.396 768 H GLN 94 H GLN 94 4.008 35.028 12.478 769 HA GLN 94 HA GLN 94 1.859 34.285 14.145 770 HB2 GLN 94 HB2 GLN 94 2.254 36.474 12.094 771 HB3 GLN 94 HB3 GLN 94 0.670 36.209 12.813 772 HG2 GLN 94 HG2 GLN 94 1.991 36.313 15.115 773 HG3 GLN 94 HG3 GLN 94 3.168 37.201 14.150 774 HE21 GLN 94 HE21 GLN 94 1.142 39.891 15.499 775 HE22 GLN 94 HE22 GLN 94 2.352 38.758 16.061 776 H TYR 95 H TYR 95 2.293 33.763 10.692 777 HA TYR 95 HA TYR 95 -0.255 32.960 9.844 778 HB2 TYR 95 HB2 TYR 95 1.784 33.025 8.453 779 HB3 TYR 95 HB3 TYR 95 2.444 31.650 9.322 780 HD1 TYR 95 HD1 TYR 95 -0.333 32.728 7.060 781 HD2 TYR 95 HD2 TYR 95 1.896 29.407 8.681 782 HE1 TYR 95 HE1 TYR 95 -1.432 31.189 5.429 783 HE2 TYR 95 HE2 TYR 95 0.806 27.878 7.048 784 HH TYR 95 HH TYR 95 -0.667 27.694 5.335 785 H MET 96 H MET 96 1.904 31.142 12.063 786 HA MET 96 HA MET 96 0.259 28.747 12.197 787 HB2 MET 96 HB2 MET 96 2.465 29.871 13.951 788 HB3 MET 96 HB3 MET 96 1.678 28.330 14.247 789 HG2 MET 96 HG2 MET 96 3.752 27.928 13.104 790 HG3 MET 96 HG3 MET 96 2.380 27.421 12.127 791 HE1 MET 96 HE1 MET 96 5.065 27.345 10.709 792 HE2 MET 96 HE2 MET 96 3.509 27.135 9.876 793 HE3 MET 96 HE3 MET 96 4.732 28.242 9.212 794 H ILE 97 H ILE 97 0.240 31.828 13.920 795 HA ILE 97 HA ILE 97 -1.401 31.106 16.127 796 HB ILE 97 HB ILE 97 -0.480 33.569 15.196 797 HG12 ILE 97 HG12 ILE 97 -2.081 34.416 17.183 798 HG13 ILE 97 HG13 ILE 97 -2.284 32.690 17.441 799 HG21 ILE 97 HG21 ILE 97 -3.536 33.706 15.145 800 HG22 ILE 97 HG22 ILE 97 -2.393 35.062 14.981 801 HG23 ILE 97 HG23 ILE 97 -2.492 33.848 13.711 802 HD11 ILE 97 HD11 ILE 97 0.236 34.384 17.628 803 HD12 ILE 97 HD12 ILE 97 -0.496 33.271 18.822 804 HD13 ILE 97 HD13 ILE 97 0.354 32.641 17.386 805 H GLN 98 H GLN 98 -2.250 31.407 12.709 806 HA GLN 98 HA GLN 98 -5.047 31.512 12.939 807 HB2 GLN 98 HB2 GLN 98 -3.692 31.793 10.870 808 HB3 GLN 98 HB3 GLN 98 -3.408 30.050 10.818 809 HG2 GLN 98 HG2 GLN 98 -6.256 31.092 10.897 810 HG3 GLN 98 HG3 GLN 98 -5.332 31.228 9.406 811 HE21 GLN 98 HE21 GLN 98 -6.802 27.577 10.456 812 HE22 GLN 98 HE22 GLN 98 -6.972 28.968 11.515 813 H LYS 99 H LYS 99 -2.876 28.715 13.428 814 HA LYS 99 HA LYS 99 -5.076 26.790 13.558 815 HB2 LYS 99 HB2 LYS 99 -2.159 26.514 14.398 816 HB3 LYS 99 HB3 LYS 99 -3.327 25.219 14.240 817 HG2 LYS 99 HG2 LYS 99 -2.070 26.860 12.032 818 HG3 LYS 99 HG3 LYS 99 -2.047 25.112 12.266 819 HD2 LYS 99 HD2 LYS 99 -4.556 25.103 11.803 820 HD3 LYS 99 HD3 LYS 99 -4.429 26.831 11.426 821 HE2 LYS 99 HE2 LYS 99 -2.638 26.154 9.679 822 HE3 LYS 99 HE3 LYS 99 -3.244 24.504 9.915 823 HZ1 LYS 99 HZ1 LYS 99 -4.749 26.846 8.900 824 HZ2 LYS 99 HZ2 LYS 99 -4.497 25.426 8.134 825 HZ3 LYS 99 HZ3 LYS 99 -5.530 25.517 9.422 826 H VAL 100 H VAL 100 -3.116 28.562 15.952 827 HA VAL 100 HA VAL 100 -4.530 27.665 18.232 828 HB VAL 100 HB VAL 100 -2.831 29.922 17.479 829 HG11 VAL 100 HG11 VAL 100 -4.539 30.430 19.920 830 HG12 VAL 100 HG12 VAL 100 -3.135 31.370 19.341 831 HG13 VAL 100 HG13 VAL 100 -4.612 31.347 18.384 832 HG21 VAL 100 HG21 VAL 100 -1.993 27.972 18.685 833 HG22 VAL 100 HG22 VAL 100 -1.971 29.331 19.846 834 HG23 VAL 100 HG23 VAL 100 -3.243 28.134 19.926 835 H MET 101 H MET 101 -5.380 30.264 15.987 836 HA MET 101 HA MET 101 -8.048 30.547 17.053 837 HB2 MET 101 HB2 MET 101 -6.915 31.622 14.470 838 HB3 MET 101 HB3 MET 101 -8.394 32.156 15.286 839 HG2 MET 101 HG2 MET 101 -5.548 32.451 16.260 840 HG3 MET 101 HG3 MET 101 -6.633 33.723 15.719 841 HE1 MET 101 HE1 MET 101 -4.882 33.949 18.314 842 HE2 MET 101 HE2 MET 101 -6.007 35.186 17.716 843 HE3 MET 101 HE3 MET 101 -6.068 34.689 19.416 844 H GLU 102 H GLU 102 -6.967 27.991 15.268 845 HA GLU 102 HA GLU 102 -9.375 27.726 13.642 846 HB2 GLU 102 HB2 GLU 102 -7.191 27.113 12.728 847 HB3 GLU 102 HB3 GLU 102 -7.076 25.779 13.873 848 HG2 GLU 102 HG2 GLU 102 -8.982 24.662 12.905 849 HG3 GLU 102 HG3 GLU 102 -9.411 26.081 11.950 850 H TYR 103 H TYR 103 -7.895 25.631 16.139 851 HA TYR 103 HA TYR 103 -10.608 24.672 16.826 852 HB2 TYR 103 HB2 TYR 103 -9.455 23.067 15.272 853 HB3 TYR 103 HB3 TYR 103 -8.234 22.823 16.517 854 HD1 TYR 103 HD1 TYR 103 -11.882 22.564 15.761 855 HD2 TYR 103 HD2 TYR 103 -8.679 21.321 18.369 856 HE1 TYR 103 HE1 TYR 103 -13.422 20.954 16.877 857 HE2 TYR 103 HE2 TYR 103 -10.230 19.717 19.488 858 HH TYR 103 HH TYR 103 -13.585 19.257 18.408 859 H LEU 104 H LEU 104 -7.270 25.133 17.937 860 HA LEU 104 HA LEU 104 -7.681 24.655 20.713 861 HB2 LEU 104 HB2 LEU 104 -5.581 24.938 19.535 862 HB3 LEU 104 HB3 LEU 104 -5.977 26.567 19.099 863 HG LEU 104 HG LEU 104 -4.181 26.303 20.814 864 HD11 LEU 104 HD11 LEU 104 -4.764 28.171 22.121 865 HD12 LEU 104 HD12 LEU 104 -5.733 28.387 20.669 866 HD13 LEU 104 HD13 LEU 104 -6.458 27.744 22.177 867 HD21 LEU 104 HD21 LEU 104 -5.194 24.393 21.964 868 HD22 LEU 104 HD22 LEU 104 -4.723 25.704 23.063 869 HD23 LEU 104 HD23 LEU 104 -6.441 25.461 22.672 870 H LYS 105 H LYS 105 -8.690 27.208 18.632 871 HA LYS 105 HA LYS 105 -9.663 29.228 20.315 872 HB2 LYS 105 HB2 LYS 105 -9.361 28.933 17.743 873 HB3 LYS 105 HB3 LYS 105 -10.913 28.140 17.738 874 HG2 LYS 105 HG2 LYS 105 -10.969 30.488 17.018 875 HG3 LYS 105 HG3 LYS 105 -12.016 30.218 18.433 876 HD2 LYS 105 HD2 LYS 105 -10.457 31.281 19.893 877 HD3 LYS 105 HD3 LYS 105 -9.152 31.152 18.704 878 HE2 LYS 105 HE2 LYS 105 -9.814 33.462 18.812 879 HE3 LYS 105 HE3 LYS 105 -10.238 32.811 17.241 880 HZ1 LYS 105 HZ1 LYS 105 -12.555 32.626 18.020 881 HZ2 LYS 105 HZ2 LYS 105 -12.147 33.182 19.500 882 HZ3 LYS 105 HZ3 LYS 105 -12.034 34.152 18.204 883 H SER 106 H SER 106 -11.192 26.209 19.423 884 HA SER 106 HA SER 106 -13.429 26.642 21.284 885 HB2 SER 106 HB2 SER 106 -15.009 26.281 19.498 886 HB3 SER 106 HB3 SER 106 -13.820 27.501 18.975 887 HG SER 106 HG SER 106 -14.028 24.802 18.192 888 H SER 107 H SER 107 -11.095 24.542 21.022 889 HA SER 107 HA SER 107 -11.945 22.053 20.325 890 HB2 SER 107 HB2 SER 107 -9.654 22.578 21.019 891 HB3 SER 107 HB3 SER 107 -10.213 22.785 22.699 892 HG SER 107 HG SER 107 -9.239 20.680 22.131 893 H LYS 108 H LYS 108 -13.705 20.882 20.882 894 HA LYS 108 HA LYS 108 -15.682 20.447 21.912 895 HB2 LYS 108 HB2 LYS 108 -15.561 19.038 23.842 896 HB3 LYS 108 HB3 LYS 108 -14.257 18.675 22.718 897 HG2 LYS 108 HG2 LYS 108 -12.681 19.988 24.226 898 HG3 LYS 108 HG3 LYS 108 -14.020 20.193 25.354 899 HD2 LYS 108 HD2 LYS 108 -12.721 18.361 26.153 900 HD3 LYS 108 HD3 LYS 108 -14.204 17.680 25.494 901 HE2 LYS 108 HE2 LYS 108 -12.329 16.295 24.836 902 HE3 LYS 108 HE3 LYS 108 -13.003 17.064 23.400 903 HZ1 LYS 108 HZ1 LYS 108 -10.563 17.982 24.858 904 HZ2 LYS 108 HZ2 LYS 108 -10.553 17.176 23.434 905 HZ3 LYS 108 HZ3 LYS 108 -11.173 18.688 23.502 906 H SER 109 H SER 109 -15.355 23.043 21.847 907 HA SER 109 HA SER 109 -16.039 25.031 22.551 908 HB2 SER 109 HB2 SER 109 -18.197 23.921 22.883 909 HB3 SER 109 HB3 SER 109 -17.781 23.618 24.582 910 HG SER 109 HG SER 109 -17.603 25.845 24.880 911 H LEU 110 H LEU 110 -13.553 24.211 23.465 912 HA LEU 110 HA LEU 110 -12.776 24.332 25.927 913 HB2 LEU 110 HB2 LEU 110 -11.314 24.445 23.827 914 HB3 LEU 110 HB3 LEU 110 -11.406 26.194 23.940 915 HG LEU 110 HG LEU 110 -10.330 26.080 26.210 916 HD11 LEU 110 HD11 LEU 110 -9.185 23.836 26.737 917 HD12 LEU 110 HD12 LEU 110 -10.919 23.917 27.057 918 HD13 LEU 110 HD13 LEU 110 -10.319 23.098 25.595 919 HD21 LEU 110 HD21 LEU 110 -8.793 24.619 24.027 920 HD22 LEU 110 HD22 LEU 110 -8.949 26.376 24.197 921 HD23 LEU 110 HD23 LEU 110 -8.099 25.444 25.439 922 H ASP 111 H ASP 111 -12.830 25.441 27.721 923 HA ASP 111 HA ASP 111 -14.407 27.808 27.910 924 HB2 ASP 111 HB2 ASP 111 -12.701 26.650 30.129 925 HB3 ASP 111 HB3 ASP 111 -14.159 27.627 30.264 926 H LEU 112 H LEU 112 -13.845 29.866 28.400 927 HA LEU 112 HA LEU 112 -11.429 30.986 27.481 928 HB2 LEU 112 HB2 LEU 112 -13.533 32.005 29.427 929 HB3 LEU 112 HB3 LEU 112 -12.060 32.905 29.152 930 HG LEU 112 HG LEU 112 -12.556 33.044 26.719 931 HD11 LEU 112 HD11 LEU 112 -15.228 31.779 27.473 932 HD12 LEU 112 HD12 LEU 112 -14.864 32.569 25.926 933 HD13 LEU 112 HD13 LEU 112 -14.000 31.098 26.367 934 HD21 LEU 112 HD21 LEU 112 -13.219 34.845 28.270 935 HD22 LEU 112 HD22 LEU 112 -14.367 34.694 26.927 936 HD23 LEU 112 HD23 LEU 112 -14.789 34.053 28.531 937 H ASN 113 H ASN 113 -12.293 30.217 30.841 938 HA ASN 113 HA ASN 113 -9.911 31.228 31.945 939 HB2 ASN 113 HB2 ASN 113 -11.739 28.992 32.939 940 HB3 ASN 113 HB3 ASN 113 -10.555 29.812 33.954 941 HD21 ASN 113 HD21 ASN 113 -14.073 31.373 34.151 942 HD22 ASN 113 HD22 ASN 113 -13.641 29.678 33.996 943 H THR 114 H THR 114 -10.496 28.117 30.388 944 HA THR 114 HA THR 114 -7.935 26.920 31.249 945 HB THR 114 HB THR 114 -10.212 26.087 29.428 946 HG1 THR 114 HG1 THR 114 -10.318 25.736 31.692 947 HG21 THR 114 HG21 THR 114 -8.278 25.371 28.237 948 HG22 THR 114 HG22 THR 114 -7.488 24.800 29.728 949 HG23 THR 114 HG23 THR 114 -8.931 23.963 29.098 950 H ARG 115 H ARG 115 -9.392 28.120 28.176 951 HA ARG 115 HA ARG 115 -7.074 27.933 26.589 952 HB2 ARG 115 HB2 ARG 115 -9.362 28.273 25.734 953 HB3 ARG 115 HB3 ARG 115 -9.385 29.927 26.388 954 HG2 ARG 115 HG2 ARG 115 -7.564 30.622 24.922 955 HG3 ARG 115 HG3 ARG 115 -7.236 28.925 24.476 956 HD2 ARG 115 HD2 ARG 115 -9.623 28.923 23.538 957 HD3 ARG 115 HD3 ARG 115 -9.556 30.684 23.752 958 HE ARG 115 HE ARG 115 -7.606 29.001 22.176 959 HH11 ARG 115 HH11 ARG 115 -8.960 32.194 22.689 960 HH12 ARG 115 HH12 ARG 115 -8.208 32.870 21.280 961 HH21 ARG 115 HH21 ARG 115 -6.997 29.899 20.091 962 HH22 ARG 115 HH22 ARG 115 -7.067 31.629 19.932 963 H ILE 116 H ILE 116 -8.059 30.622 28.615 964 HA ILE 116 HA ILE 116 -6.204 32.558 28.034 965 HB ILE 116 HB ILE 116 -7.522 31.615 30.526 966 HG12 ILE 116 HG12 ILE 116 -7.276 34.388 29.242 967 HG13 ILE 116 HG13 ILE 116 -8.459 33.195 28.727 968 HG21 ILE 116 HG21 ILE 116 -5.370 32.056 31.484 969 HG22 ILE 116 HG22 ILE 116 -5.274 33.649 30.685 970 HG23 ILE 116 HG23 ILE 116 -6.476 33.336 31.963 971 HD11 ILE 116 HD11 ILE 116 -9.544 34.775 30.195 972 HD12 ILE 116 HD12 ILE 116 -9.463 33.211 31.023 973 HD13 ILE 116 HD13 ILE 116 -8.341 34.519 31.467 974 H SER 117 H SER 117 -5.578 29.585 29.748 975 HA SER 117 HA SER 117 -2.854 30.168 30.500 976 HB2 SER 117 HB2 SER 117 -2.633 27.930 31.205 977 HB3 SER 117 HB3 SER 117 -4.278 28.428 31.611 978 HG SER 117 HG SER 117 -5.018 27.311 29.782 979 H VAL 118 H VAL 118 -4.112 29.710 27.479 980 HA VAL 118 HA VAL 118 -1.525 28.901 26.252 981 HB VAL 118 HB VAL 118 -4.076 29.222 24.655 982 HG11 VAL 118 HG11 VAL 118 -1.760 27.317 24.411 983 HG12 VAL 118 HG12 VAL 118 -2.972 27.688 23.182 984 HG13 VAL 118 HG13 VAL 118 -1.806 28.954 23.689 985 HG21 VAL 118 HG21 VAL 118 -5.013 27.209 24.850 986 HG22 VAL 118 HG22 VAL 118 -3.672 26.524 25.843 987 HG23 VAL 118 HG23 VAL 118 -4.792 27.730 26.527 988 H ILE 119 H ILE 119 -4.354 30.946 25.687 989 HA ILE 119 HA ILE 119 -3.073 32.516 23.797 990 HB ILE 119 HB ILE 119 -5.603 31.988 24.436 991 HG12 ILE 119 HG12 ILE 119 -6.404 33.750 22.973 992 HG13 ILE 119 HG13 ILE 119 -4.896 34.664 23.153 993 HG21 ILE 119 HG21 ILE 119 -5.406 33.459 26.517 994 HG22 ILE 119 HG22 ILE 119 -5.670 34.813 25.423 995 HG23 ILE 119 HG23 ILE 119 -6.874 33.489 25.533 996 HD11 ILE 119 HD11 ILE 119 -3.669 33.104 21.858 997 HD12 ILE 119 HD12 ILE 119 -4.921 31.842 22.035 998 HD13 ILE 119 HD13 ILE 119 -5.202 33.272 21.007 999 H GLU 120 H GLU 120 -3.278 33.049 27.261 1000 HA GLU 120 HA GLU 120 -2.375 35.811 26.995 1001 HB2 GLU 120 HB2 GLU 120 -4.055 34.740 28.754 1002 HB3 GLU 120 HB3 GLU 120 -2.569 34.324 29.601 1003 HG2 GLU 120 HG2 GLU 120 -3.237 36.420 30.497 1004 HG3 GLU 120 HG3 GLU 120 -1.896 36.795 29.410 1005 H THR 121 H THR 121 -0.979 32.674 27.761 1006 HA THR 121 HA THR 121 1.639 33.809 28.441 1007 HB THR 121 HB THR 121 0.962 31.671 29.376 1008 HG1 THR 121 HG1 THR 121 2.949 30.731 29.059 1009 HG21 THR 121 HG21 THR 121 -0.148 30.584 27.496 1010 HG22 THR 121 HG22 THR 121 1.374 30.527 26.584 1011 HG23 THR 121 HG23 THR 121 1.196 29.594 28.082 1012 H ILE 122 H ILE 122 0.299 32.240 25.384 1013 HA ILE 122 HA ILE 122 2.700 32.996 23.999 1014 HB ILE 122 HB ILE 122 0.846 31.242 23.389 1015 HG12 ILE 122 HG12 ILE 122 1.540 31.267 21.037 1016 HG13 ILE 122 HG13 ILE 122 2.312 32.843 21.246 1017 HG21 ILE 122 HG21 ILE 122 -0.959 32.977 23.071 1018 HG22 ILE 122 HG22 ILE 122 -0.081 33.561 21.633 1019 HG23 ILE 122 HG23 ILE 122 -0.721 31.907 21.684 1020 HD11 ILE 122 HD11 ILE 122 3.945 31.814 22.794 1021 HD12 ILE 122 HD12 ILE 122 3.038 30.306 22.756 1022 HD13 ILE 122 HD13 ILE 122 3.871 30.880 21.295 1023 H ARG 123 H ARG 123 -0.121 34.939 24.773 1024 HA ARG 123 HA ARG 123 0.324 37.122 23.018 1025 HB2 ARG 123 HB2 ARG 123 -1.600 36.935 24.497 1026 HB3 ARG 123 HB3 ARG 123 -0.582 37.162 25.929 1027 HG2 ARG 123 HG2 ARG 123 -0.036 39.428 25.175 1028 HG3 ARG 123 HG3 ARG 123 -0.948 39.157 23.663 1029 HD2 ARG 123 HD2 ARG 123 -3.022 38.841 24.944 1030 HD3 ARG 123 HD3 ARG 123 -2.114 39.038 26.459 1031 HE ARG 123 HE ARG 123 -1.927 41.270 24.511 1032 HH11 ARG 123 HH11 ARG 123 -3.391 40.240 27.588 1033 HH12 ARG 123 HH12 ARG 123 -3.829 41.896 27.941 1034 HH21 ARG 123 HH21 ARG 123 -2.464 43.225 25.086 1035 HH22 ARG 123 HH22 ARG 123 -3.318 43.538 26.587 1036 H VAL 124 H VAL 124 2.028 36.350 26.077 1037 HA VAL 124 HA VAL 124 3.576 38.677 26.316 1038 HB VAL 124 HB VAL 124 4.612 35.891 26.949 1039 HG11 VAL 124 HG11 VAL 124 6.300 37.668 27.215 1040 HG12 VAL 124 HG12 VAL 124 5.170 38.599 28.227 1041 HG13 VAL 124 HG13 VAL 124 5.806 37.034 28.782 1042 HG21 VAL 124 HG21 VAL 124 2.434 36.018 27.964 1043 HG22 VAL 124 HG22 VAL 124 3.637 36.237 29.222 1044 HG23 VAL 124 HG23 VAL 124 2.755 37.655 28.594 1045 H VAL 125 H VAL 125 4.332 35.789 24.345 1046 HA VAL 125 HA VAL 125 6.787 37.022 23.386 1047 HB VAL 125 HB VAL 125 6.430 34.549 24.059 1048 HG11 VAL 125 HG11 VAL 125 4.542 34.091 22.519 1049 HG12 VAL 125 HG12 VAL 125 5.622 34.336 21.131 1050 HG13 VAL 125 HG13 VAL 125 5.924 33.013 22.267 1051 HG21 VAL 125 HG21 VAL 125 7.991 35.263 21.550 1052 HG22 VAL 125 HG22 VAL 125 8.536 35.440 23.230 1053 HG23 VAL 125 HG23 VAL 125 8.225 33.828 22.570 1054 H THR 126 H THR 126 3.555 37.072 22.276 1055 HA THR 126 HA THR 126 4.425 37.594 19.448 1056 HB THR 126 HB THR 126 2.060 37.195 18.824 1057 HG1 THR 126 HG1 THR 126 1.697 36.221 21.435 1058 HG21 THR 126 HG21 THR 126 3.357 35.202 18.602 1059 HG22 THR 126 HG22 THR 126 3.363 34.908 20.355 1060 HG23 THR 126 HG23 THR 126 1.865 34.731 19.438 1061 H GLU 127 H GLU 127 3.079 39.268 22.170 1062 HA GLU 127 HA GLU 127 2.076 41.532 20.674 1063 HB2 GLU 127 HB2 GLU 127 3.193 41.280 23.479 1064 HB3 GLU 127 HB3 GLU 127 2.584 42.805 22.848 1065 HG2 GLU 127 HG2 GLU 127 0.864 40.311 22.846 1066 HG3 GLU 127 HG3 GLU 127 1.025 41.335 24.272 1067 H ASN 128 H ASN 128 5.249 40.366 21.055 1068 HA ASN 128 HA ASN 128 6.899 42.585 20.825 1069 HB2 ASN 128 HB2 ASN 128 7.044 39.759 19.724 1070 HB3 ASN 128 HB3 ASN 128 8.355 40.910 19.466 1071 HD21 ASN 128 HD21 ASN 128 8.473 38.945 22.849 1072 HD22 ASN 128 HD22 ASN 128 7.650 38.392 21.392 1073 H LYS 129 H LYS 129 4.791 41.346 18.300 1074 HA LYS 129 HA LYS 129 5.422 43.785 16.713 1075 HB2 LYS 129 HB2 LYS 129 5.170 40.994 15.547 1076 HB3 LYS 129 HB3 LYS 129 5.074 42.452 14.573 1077 HG2 LYS 129 HG2 LYS 129 7.499 41.743 16.260 1078 HG3 LYS 129 HG3 LYS 129 7.304 41.344 14.554 1079 HD2 LYS 129 HD2 LYS 129 7.131 43.757 13.987 1080 HD3 LYS 129 HD3 LYS 129 7.330 44.173 15.696 1081 HE2 LYS 129 HE2 LYS 129 9.556 43.041 15.708 1082 HE3 LYS 129 HE3 LYS 129 9.398 42.710 13.975 1083 HZ1 LYS 129 HZ1 LYS 129 9.467 45.408 15.220 1084 HZ2 LYS 129 HZ2 LYS 129 10.673 44.729 14.373 1085 HZ3 LYS 129 HZ3 LYS 129 9.289 45.141 13.624 1086 H ILE 130 H ILE 130 3.330 42.916 18.615 1087 HA ILE 130 HA ILE 130 1.172 42.757 19.058 1088 HB ILE 130 HB ILE 130 -0.213 44.576 18.447 1089 HG12 ILE 130 HG12 ILE 130 1.841 45.537 16.436 1090 HG13 ILE 130 HG13 ILE 130 0.377 44.649 15.980 1091 HG21 ILE 130 HG21 ILE 130 1.156 46.360 19.327 1092 HG22 ILE 130 HG22 ILE 130 1.645 44.846 20.083 1093 HG23 ILE 130 HG23 ILE 130 2.646 45.558 18.801 1094 HD11 ILE 130 HD11 ILE 130 0.479 47.357 17.382 1095 HD12 ILE 130 HD12 ILE 130 -0.009 47.026 15.719 1096 HD13 ILE 130 HD13 ILE 130 -1.006 46.435 17.057 1097 H PHE 131 H PHE 131 -1.044 42.286 18.636 1098 HA PHE 131 HA PHE 131 -1.321 40.296 16.548 1099 HB2 PHE 131 HB2 PHE 131 -2.120 39.955 18.845 1100 HB3 PHE 131 HB3 PHE 131 -3.250 41.296 18.668 1101 HD1 PHE 131 HD1 PHE 131 -5.426 40.928 17.734 1102 HD2 PHE 131 HD2 PHE 131 -2.375 37.900 17.324 1103 HE1 PHE 131 HE1 PHE 131 -7.110 39.351 16.813 1104 HE2 PHE 131 HE2 PHE 131 -4.067 36.325 16.410 1105 HZ PHE 131 HZ PHE 131 -6.432 37.052 16.146 1106 H VAL 132 H VAL 132 -2.480 43.589 16.947 1107 HA VAL 132 HA VAL 132 -4.741 43.435 15.239 1108 HB VAL 132 HB VAL 132 -3.152 45.815 16.224 1109 HG11 VAL 132 HG11 VAL 132 -5.160 47.182 15.698 1110 HG12 VAL 132 HG12 VAL 132 -4.352 46.573 14.253 1111 HG13 VAL 132 HG13 VAL 132 -5.854 45.797 14.820 1112 HG21 VAL 132 HG21 VAL 132 -5.805 44.618 17.128 1113 HG22 VAL 132 HG22 VAL 132 -4.258 44.503 18.006 1114 HG23 VAL 132 HG23 VAL 132 -5.037 46.074 17.795 1115 H GLU 133 H GLU 133 -1.681 45.098 14.541 1116 HA GLU 133 HA GLU 133 -2.272 45.426 11.760 1117 HB2 GLU 133 HB2 GLU 133 0.250 45.939 13.385 1118 HB3 GLU 133 HB3 GLU 133 0.049 46.366 11.675 1119 HG2 GLU 133 HG2 GLU 133 -1.924 47.772 12.273 1120 HG3 GLU 133 HG3 GLU 133 -1.623 47.450 13.982 1121 H VAL 134 H VAL 134 -0.760 44.770 10.019 1122 HA VAL 134 HA VAL 134 0.296 42.040 10.241 1123 HB VAL 134 HB VAL 134 -0.325 41.806 7.873 1124 HG11 VAL 134 HG11 VAL 134 -1.731 40.881 9.656 1125 HG12 VAL 134 HG12 VAL 134 -2.687 42.379 9.693 1126 HG13 VAL 134 HG13 VAL 134 -2.678 41.368 8.237 1127 HG21 VAL 134 HG21 VAL 134 -2.020 44.321 8.238 1128 HG22 VAL 134 HG22 VAL 134 -0.542 44.258 7.258 1129 HG23 VAL 134 HG23 VAL 134 -1.940 43.267 6.819 1130 H GLU 135 H GLU 135 1.085 42.778 7.531 1131 HA GLU 135 HA GLU 135 3.867 43.520 8.010 1132 HB2 GLU 135 HB2 GLU 135 2.400 42.790 5.461 1133 HB3 GLU 135 HB3 GLU 135 4.131 43.083 5.530 1134 HG2 GLU 135 HG2 GLU 135 2.770 40.898 7.171 1135 HG3 GLU 135 HG3 GLU 135 3.357 40.671 5.535 1136 H ARG 136 H ARG 136 2.243 45.620 8.719 1137 HA ARG 136 HA ARG 136 1.962 47.591 6.575 1138 HB2 ARG 136 HB2 ARG 136 0.276 47.261 8.387 1139 HB3 ARG 136 HB3 ARG 136 1.460 47.785 9.577 1140 HG2 ARG 136 HG2 ARG 136 -0.135 49.563 9.033 1141 HG3 ARG 136 HG3 ARG 136 1.512 50.033 8.624 1142 HD2 ARG 136 HD2 ARG 136 -0.044 50.781 6.904 1143 HD3 ARG 136 HD3 ARG 136 1.086 49.601 6.246 1144 HE ARG 136 HE ARG 136 -1.571 48.631 7.176 1145 HH11 ARG 136 HH11 ARG 136 0.362 49.457 4.367 1146 HH12 ARG 136 HH12 ARG 136 -0.699 48.587 3.289 1147 HH21 ARG 136 HH21 ARG 136 -2.435 47.541 4.049 1148 HH22 ARG 136 HH22 ARG 136 -2.852 47.559 5.741 Start of MODEL 2 1 H1 MET 1 H1 MET 1 15.156 3.681 -20.042 2 H2 MET 1 H2 MET 1 16.790 3.826 -19.932 3 H3 MET 1 H3 MET 1 15.851 3.966 -18.595 4 HA MET 1 HA MET 1 16.581 6.122 -19.244 5 HB2 MET 1 HB2 MET 1 16.954 5.627 -21.626 6 HB3 MET 1 HB3 MET 1 15.215 5.477 -21.892 7 HG2 MET 1 HG2 MET 1 16.117 7.641 -22.649 8 HG3 MET 1 HG3 MET 1 14.874 7.833 -21.421 9 HE1 MET 1 HE1 MET 1 16.765 10.188 -22.324 10 HE2 MET 1 HE2 MET 1 15.532 10.353 -21.053 11 HE3 MET 1 HE3 MET 1 17.194 10.909 -20.756 12 H SER 2 H SER 2 15.285 7.906 -18.708 13 HA SER 2 HA SER 2 12.846 7.388 -17.360 14 HB2 SER 2 HB2 SER 2 13.938 10.054 -18.345 15 HB3 SER 2 HB3 SER 2 12.727 9.807 -17.063 16 HG SER 2 HG SER 2 14.833 10.100 -16.222 17 H ARG 3 H ARG 3 10.723 8.049 -17.731 18 HA ARG 3 HA ARG 3 9.716 7.954 -20.477 19 HB2 ARG 3 HB2 ARG 3 8.327 8.523 -17.815 20 HB3 ARG 3 HB3 ARG 3 7.503 8.334 -19.364 21 HG2 ARG 3 HG2 ARG 3 8.410 6.020 -19.572 22 HG3 ARG 3 HG3 ARG 3 9.186 6.198 -17.995 23 HD2 ARG 3 HD2 ARG 3 7.155 4.974 -17.652 24 HD3 ARG 3 HD3 ARG 3 6.965 6.566 -16.940 25 HE ARG 3 HE ARG 3 5.279 7.064 -18.474 26 HH11 ARG 3 HH11 ARG 3 5.522 3.799 -20.742 27 HH12 ARG 3 HH12 ARG 3 6.779 4.069 -19.558 28 HH21 ARG 3 HH21 ARG 3 3.753 6.631 -19.996 29 HH22 ARG 3 HH22 ARG 3 3.886 5.193 -20.975 30 H ASP 4 H ASP 4 8.302 9.570 -21.429 31 HA ASP 4 HA ASP 4 9.532 12.195 -21.451 32 HB2 ASP 4 HB2 ASP 4 6.965 11.192 -22.753 33 HB3 ASP 4 HB3 ASP 4 7.734 12.739 -23.092 34 H ALA 5 H ALA 5 6.755 10.945 -19.685 35 HA ALA 5 HA ALA 5 5.695 13.531 -18.920 36 HB1 ALA 5 HB1 ALA 5 5.502 10.801 -17.575 37 HB2 ALA 5 HB2 ALA 5 4.529 12.233 -17.169 38 HB3 ALA 5 HB3 ALA 5 4.362 11.469 -18.762 39 HA PRO 6 HA PRO 6 9.204 14.491 -16.401 40 HB2 PRO 6 HB2 PRO 6 8.391 16.728 -15.069 41 HB3 PRO 6 HB3 PRO 6 8.631 16.704 -16.840 42 HG2 PRO 6 HG2 PRO 6 6.028 16.411 -15.312 43 HG3 PRO 6 HG3 PRO 6 6.372 17.447 -16.731 44 HD2 PRO 6 HD2 PRO 6 5.201 14.957 -16.894 45 HD3 PRO 6 HD3 PRO 6 6.231 15.627 -18.201 46 H ILE 7 H ILE 7 10.036 14.103 -14.308 47 HA ILE 7 HA ILE 7 8.364 12.614 -12.495 48 HB ILE 7 HB ILE 7 11.237 13.589 -12.294 49 HG12 ILE 7 HG12 ILE 7 10.649 10.658 -12.427 50 HG13 ILE 7 HG13 ILE 7 10.221 11.541 -13.886 51 HG21 ILE 7 HG21 ILE 7 10.433 13.299 -9.995 52 HG22 ILE 7 HG22 ILE 7 9.750 11.710 -10.401 53 HG23 ILE 7 HG23 ILE 7 11.503 11.970 -10.407 54 HD11 ILE 7 HD11 ILE 7 12.470 12.495 -14.052 55 HD12 ILE 7 HD12 ILE 7 12.962 11.624 -12.576 56 HD13 ILE 7 HD13 ILE 7 12.512 10.716 -14.039 57 H LYS 8 H LYS 8 7.297 13.310 -10.778 58 HA LYS 8 HA LYS 8 7.949 15.937 -9.490 59 HB2 LYS 8 HB2 LYS 8 5.141 14.940 -10.119 60 HB3 LYS 8 HB3 LYS 8 5.552 16.365 -9.168 61 HG2 LYS 8 HG2 LYS 8 6.709 17.280 -11.263 62 HG3 LYS 8 HG3 LYS 8 5.967 15.950 -12.161 63 HD2 LYS 8 HD2 LYS 8 4.534 18.137 -10.578 64 HD3 LYS 8 HD3 LYS 8 4.599 17.964 -12.342 65 HE2 LYS 8 HE2 LYS 8 3.372 15.765 -12.102 66 HE3 LYS 8 HE3 LYS 8 3.237 16.069 -10.359 67 HZ1 LYS 8 HZ1 LYS 8 2.088 17.794 -12.485 68 HZ2 LYS 8 HZ2 LYS 8 1.247 16.777 -11.536 69 HZ3 LYS 8 HZ3 LYS 8 1.975 18.084 -10.887 70 H ALA 9 H ALA 9 8.772 15.247 -7.586 71 HA ALA 9 HA ALA 9 7.393 13.136 -6.042 72 HB1 ALA 9 HB1 ALA 9 9.802 13.214 -5.928 73 HB2 ALA 9 HB2 ALA 9 9.734 14.875 -5.270 74 HB3 ALA 9 HB3 ALA 9 9.023 13.518 -4.348 75 H ASP 10 H ASP 10 5.436 14.329 -6.326 76 HA ASP 10 HA ASP 10 4.725 16.707 -4.911 77 HB2 ASP 10 HB2 ASP 10 3.405 15.565 -6.712 78 HB3 ASP 10 HB3 ASP 10 3.062 14.245 -5.581 79 H LYS 11 H LYS 11 5.270 13.436 -3.883 80 HA LYS 11 HA LYS 11 4.444 13.854 -1.093 81 HB2 LYS 11 HB2 LYS 11 5.099 11.521 -2.815 82 HB3 LYS 11 HB3 LYS 11 5.781 11.415 -1.203 83 HG2 LYS 11 HG2 LYS 11 3.585 11.794 -0.172 84 HG3 LYS 11 HG3 LYS 11 2.842 12.001 -1.769 85 HD2 LYS 11 HD2 LYS 11 3.451 9.673 -2.359 86 HD3 LYS 11 HD3 LYS 11 4.196 9.453 -0.766 87 HE2 LYS 11 HE2 LYS 11 1.990 9.825 0.332 88 HE3 LYS 11 HE3 LYS 11 1.254 10.164 -1.234 89 HZ1 LYS 11 HZ1 LYS 11 1.762 7.884 -1.904 90 HZ2 LYS 11 HZ2 LYS 11 2.440 7.554 -0.457 91 HZ3 LYS 11 HZ3 LYS 11 0.847 7.876 -0.569 92 H ASP 12 H ASP 12 5.716 15.593 -0.624 93 HA ASP 12 HA ASP 12 8.638 15.571 -0.627 94 HB2 ASP 12 HB2 ASP 12 6.985 17.552 -0.746 95 HB3 ASP 12 HB3 ASP 12 6.724 17.314 0.980 96 H TYR 13 H TYR 13 9.202 16.411 2.110 97 HA TYR 13 HA TYR 13 9.329 14.051 3.660 98 HB2 TYR 13 HB2 TYR 13 8.984 16.902 4.676 99 HB3 TYR 13 HB3 TYR 13 9.612 15.545 5.602 100 HD1 TYR 13 HD1 TYR 13 11.622 14.266 4.017 101 HD2 TYR 13 HD2 TYR 13 10.654 18.465 4.276 102 HE1 TYR 13 HE1 TYR 13 13.934 14.845 3.309 103 HE2 TYR 13 HE2 TYR 13 12.980 19.040 3.575 104 HH TYR 13 HH TYR 13 15.405 16.510 2.856 105 H SER 14 H SER 14 6.545 16.134 3.179 106 HA SER 14 HA SER 14 4.830 15.287 5.253 107 HB2 SER 14 HB2 SER 14 3.012 15.947 3.676 108 HB3 SER 14 HB3 SER 14 4.285 17.171 3.818 109 HG SER 14 HG SER 14 3.635 16.708 1.633 110 H GLN 15 H GLN 15 6.154 13.340 2.780 111 HA GLN 15 HA GLN 15 4.006 11.592 2.141 112 HB2 GLN 15 HB2 GLN 15 5.667 10.091 1.292 113 HB3 GLN 15 HB3 GLN 15 6.187 11.741 0.951 114 HG2 GLN 15 HG2 GLN 15 7.663 11.571 3.049 115 HG3 GLN 15 HG3 GLN 15 7.270 9.849 3.086 116 HE21 GLN 15 HE21 GLN 15 9.588 11.238 -0.050 117 HE22 GLN 15 HE22 GLN 15 8.372 12.306 0.668 118 H ILE 16 H ILE 16 6.099 11.734 4.955 119 HA ILE 16 HA ILE 16 5.562 9.219 6.172 120 HB ILE 16 HB ILE 16 5.946 11.955 7.482 121 HG12 ILE 16 HG12 ILE 16 8.151 9.943 7.013 122 HG13 ILE 16 HG13 ILE 16 7.738 11.192 5.827 123 HG21 ILE 16 HG21 ILE 16 6.057 9.099 8.519 124 HG22 ILE 16 HG22 ILE 16 6.849 10.427 9.387 125 HG23 ILE 16 HG23 ILE 16 5.093 10.442 9.137 126 HD11 ILE 16 HD11 ILE 16 9.553 11.994 7.171 127 HD12 ILE 16 HD12 ILE 16 8.101 12.979 7.395 128 HD13 ILE 16 HD13 ILE 16 8.588 11.808 8.657 129 H LEU 17 H LEU 17 3.943 12.333 6.312 130 HA LEU 17 HA LEU 17 1.960 11.652 8.288 131 HB2 LEU 17 HB2 LEU 17 1.818 13.797 6.182 132 HB3 LEU 17 HB3 LEU 17 1.158 13.827 7.831 133 HG LEU 17 HG LEU 17 4.069 14.127 6.990 134 HD11 LEU 17 HD11 LEU 17 2.711 16.023 6.421 135 HD12 LEU 17 HD12 LEU 17 2.010 16.096 8.046 136 HD13 LEU 17 HD13 LEU 17 3.739 16.403 7.807 137 HD21 LEU 17 HD21 LEU 17 4.367 14.888 9.420 138 HD22 LEU 17 HD22 LEU 17 2.859 14.020 9.768 139 HD23 LEU 17 HD23 LEU 17 4.272 13.167 9.095 140 H LYS 18 H LYS 18 2.154 11.475 4.765 141 HA LYS 18 HA LYS 18 -0.608 10.810 4.249 142 HB2 LYS 18 HB2 LYS 18 1.892 10.471 2.593 143 HB3 LYS 18 HB3 LYS 18 0.262 10.157 2.006 144 HG2 LYS 18 HG2 LYS 18 1.167 12.860 3.084 145 HG3 LYS 18 HG3 LYS 18 1.231 12.404 1.379 146 HD2 LYS 18 HD2 LYS 18 -1.239 12.069 1.389 147 HD3 LYS 18 HD3 LYS 18 -1.292 12.599 3.086 148 HE2 LYS 18 HE2 LYS 18 -0.292 14.778 2.444 149 HE3 LYS 18 HE3 LYS 18 -0.233 14.262 0.753 150 HZ1 LYS 18 HZ1 LYS 18 -2.723 14.579 2.342 151 HZ2 LYS 18 HZ2 LYS 18 -2.192 15.609 1.200 152 HZ3 LYS 18 HZ3 LYS 18 -2.656 14.110 0.777 153 H GLU 19 H GLU 19 2.271 8.879 4.981 154 HA GLU 19 HA GLU 19 0.818 6.415 4.329 155 HB2 GLU 19 HB2 GLU 19 2.801 5.412 3.953 156 HB3 GLU 19 HB3 GLU 19 3.237 7.086 3.580 157 HG2 GLU 19 HG2 GLU 19 4.098 7.262 5.969 158 HG3 GLU 19 HG3 GLU 19 3.793 5.536 6.156 159 H GLU 20 H GLU 20 2.202 7.962 7.240 160 HA GLU 20 HA GLU 20 1.682 5.589 8.885 161 HB2 GLU 20 HB2 GLU 20 2.532 8.412 9.600 162 HB3 GLU 20 HB3 GLU 20 2.367 7.095 10.760 163 HG2 GLU 20 HG2 GLU 20 4.183 6.985 8.329 164 HG3 GLU 20 HG3 GLU 20 4.705 7.526 9.927 165 H PHE 21 H PHE 21 -0.083 8.563 8.110 166 HA PHE 21 HA PHE 21 -1.896 8.728 10.172 167 HB2 PHE 21 HB2 PHE 21 -2.007 10.324 8.462 168 HB3 PHE 21 HB3 PHE 21 -2.276 9.107 7.206 169 HD1 PHE 21 HD1 PHE 21 -3.882 10.199 10.453 170 HD2 PHE 21 HD2 PHE 21 -4.464 8.968 6.362 171 HE1 PHE 21 HE1 PHE 21 -6.332 10.518 10.708 172 HE2 PHE 21 HE2 PHE 21 -6.913 9.279 6.622 173 HZ PHE 21 HZ PHE 21 -7.853 10.056 8.793 174 HA PRO 22 HA PRO 22 -4.743 5.121 8.586 175 HB2 PRO 22 HB2 PRO 22 -3.249 3.014 7.542 176 HB3 PRO 22 HB3 PRO 22 -4.287 4.145 6.598 177 HG2 PRO 22 HG2 PRO 22 -1.279 4.199 7.067 178 HG3 PRO 22 HG3 PRO 22 -2.166 4.493 5.536 179 HD2 PRO 22 HD2 PRO 22 -1.326 6.591 6.954 180 HD3 PRO 22 HD3 PRO 22 -2.971 6.613 6.282 181 H LYS 23 H LYS 23 -1.280 4.454 9.355 182 HA LYS 23 HA LYS 23 -1.830 2.185 11.038 183 HB2 LYS 23 HB2 LYS 23 0.596 4.027 11.073 184 HB3 LYS 23 HB3 LYS 23 0.520 2.356 11.661 185 HG2 LYS 23 HG2 LYS 23 0.034 1.536 9.364 186 HG3 LYS 23 HG3 LYS 23 0.054 3.202 8.762 187 HD2 LYS 23 HD2 LYS 23 2.439 3.354 9.631 188 HD3 LYS 23 HD3 LYS 23 2.402 1.580 9.726 189 HE2 LYS 23 HE2 LYS 23 1.775 1.440 7.346 190 HE3 LYS 23 HE3 LYS 23 1.563 3.190 7.253 191 HZ1 LYS 23 HZ1 LYS 23 4.020 3.347 7.806 192 HZ2 LYS 23 HZ2 LYS 23 4.125 1.725 7.682 193 HZ3 LYS 23 HZ3 LYS 23 3.727 2.593 6.361 194 H ILE 24 H ILE 24 -1.677 5.646 11.678 195 HA ILE 24 HA ILE 24 -2.137 5.237 14.552 196 HB ILE 24 HB ILE 24 -1.708 7.312 14.950 197 HG12 ILE 24 HG12 ILE 24 -2.076 9.166 12.931 198 HG13 ILE 24 HG13 ILE 24 -3.437 8.150 12.643 199 HG21 ILE 24 HG21 ILE 24 -0.707 7.481 12.114 200 HG22 ILE 24 HG22 ILE 24 0.013 8.265 13.531 201 HG23 ILE 24 HG23 ILE 24 0.127 6.496 13.347 202 HD11 ILE 24 HD11 ILE 24 -3.910 10.053 14.158 203 HD12 ILE 24 HD12 ILE 24 -4.199 8.521 14.968 204 HD13 ILE 24 HD13 ILE 24 -2.686 9.451 15.301 205 H ASP 25 H ASP 25 -4.130 5.894 11.697 206 HA ASP 25 HA ASP 25 -6.452 6.728 13.137 207 HB2 ASP 25 HB2 ASP 25 -5.936 7.132 10.772 208 HB3 ASP 25 HB3 ASP 25 -6.091 5.415 10.420 209 H SER 26 H SER 26 -5.178 3.607 12.161 210 HA SER 26 HA SER 26 -7.206 1.834 13.136 211 HB2 SER 26 HB2 SER 26 -4.185 1.449 13.100 212 HB3 SER 26 HB3 SER 26 -5.415 0.174 13.169 213 HG SER 26 HG SER 26 -4.862 1.981 11.026 214 H LEU 27 H LEU 27 -4.645 3.678 14.848 215 HA LEU 27 HA LEU 27 -5.149 2.357 17.397 216 HB2 LEU 27 HB2 LEU 27 -2.923 2.937 17.101 217 HB3 LEU 27 HB3 LEU 27 -3.299 4.464 16.330 218 HG LEU 27 HG LEU 27 -4.116 5.368 18.513 219 HD11 LEU 27 HD11 LEU 27 -3.357 4.212 20.572 220 HD12 LEU 27 HD12 LEU 27 -4.512 3.205 19.704 221 HD13 LEU 27 HD13 LEU 27 -2.773 2.836 19.615 222 HD21 LEU 27 HD21 LEU 27 -1.860 5.807 17.592 223 HD22 LEU 27 HD22 LEU 27 -1.839 5.744 19.366 224 HD23 LEU 27 HD23 LEU 27 -1.233 4.366 18.423 225 H ALA 28 H ALA 28 -5.747 5.638 16.047 226 HA ALA 28 HA ALA 28 -6.980 6.779 18.244 227 HB1 ALA 28 HB1 ALA 28 -7.832 8.460 16.638 228 HB2 ALA 28 HB2 ALA 28 -6.194 7.984 16.192 229 HB3 ALA 28 HB3 ALA 28 -7.577 7.320 15.299 230 H GLN 29 H GLN 29 -8.459 4.583 15.975 231 HA GLN 29 HA GLN 29 -11.189 4.905 16.853 232 HB2 GLN 29 HB2 GLN 29 -9.690 2.689 15.440 233 HB3 GLN 29 HB3 GLN 29 -11.404 2.538 15.843 234 HG2 GLN 29 HG2 GLN 29 -12.011 4.442 14.498 235 HG3 GLN 29 HG3 GLN 29 -10.325 4.884 14.230 236 HE21 GLN 29 HE21 GLN 29 -9.775 2.462 11.668 237 HE22 GLN 29 HE22 GLN 29 -9.000 3.526 12.860 238 H ASN 30 H ASN 30 -8.574 3.755 18.628 239 HA ASN 30 HA ASN 30 -10.238 2.181 20.492 240 HB2 ASN 30 HB2 ASN 30 -7.462 1.565 19.386 241 HB3 ASN 30 HB3 ASN 30 -8.215 0.687 20.715 242 HD21 ASN 30 HD21 ASN 30 -9.173 -0.375 16.965 243 HD22 ASN 30 HD22 ASN 30 -7.923 0.818 17.258 244 H ASP 31 H ASP 31 -7.222 4.089 20.155 245 HA ASP 31 HA ASP 31 -7.559 5.218 22.854 246 HB2 ASP 31 HB2 ASP 31 -6.285 3.112 23.183 247 HB3 ASP 31 HB3 ASP 31 -5.053 3.675 22.062 248 H CYS 32 H CYS 32 -8.096 6.917 21.204 249 HA CYS 32 HA CYS 32 -6.145 8.173 19.571 250 HB2 CYS 32 HB2 CYS 32 -7.718 10.115 19.653 251 HB3 CYS 32 HB3 CYS 32 -8.519 8.591 19.259 252 HG CYS 32 HG CYS 32 -9.663 8.140 21.467 253 H ASN 33 H ASN 33 -6.482 8.367 23.040 254 HA ASN 33 HA ASN 33 -5.043 10.782 23.498 255 HB2 ASN 33 HB2 ASN 33 -6.434 9.540 25.173 256 HB3 ASN 33 HB3 ASN 33 -5.199 8.276 25.215 257 HD21 ASN 33 HD21 ASN 33 -3.628 10.029 27.843 258 HD22 ASN 33 HD22 ASN 33 -4.194 8.494 27.205 259 H SER 34 H SER 34 -3.930 7.523 22.651 260 HA SER 34 HA SER 34 -1.074 8.316 22.892 261 HB2 SER 34 HB2 SER 34 -1.913 5.935 23.334 262 HB3 SER 34 HB3 SER 34 -2.165 5.829 21.572 263 HG SER 34 HG SER 34 0.082 6.486 21.375 264 H ALA 35 H ALA 35 -3.617 8.021 20.428 265 HA ALA 35 HA ALA 35 -1.914 8.033 18.154 266 HB1 ALA 35 HB1 ALA 35 -3.883 8.004 16.978 267 HB2 ALA 35 HB2 ALA 35 -4.476 7.467 18.525 268 HB3 ALA 35 HB3 ALA 35 -4.699 9.167 18.052 269 H LEU 36 H LEU 36 -3.247 10.804 19.992 270 HA LEU 36 HA LEU 36 -2.258 12.794 18.201 271 HB2 LEU 36 HB2 LEU 36 -2.703 14.357 19.950 272 HB3 LEU 36 HB3 LEU 36 -3.902 13.103 20.072 273 HG LEU 36 HG LEU 36 -2.134 12.093 21.854 274 HD11 LEU 36 HD11 LEU 36 -0.489 13.985 21.540 275 HD12 LEU 36 HD12 LEU 36 -1.751 15.122 22.037 276 HD13 LEU 36 HD13 LEU 36 -1.133 13.912 23.180 277 HD21 LEU 36 HD21 LEU 36 -3.418 13.160 23.619 278 HD22 LEU 36 HD22 LEU 36 -3.986 14.413 22.490 279 HD23 LEU 36 HD23 LEU 36 -4.496 12.719 22.288 280 H ASP 37 H ASP 37 -0.672 10.903 20.662 281 HA ASP 37 HA ASP 37 1.963 12.161 20.330 282 HB2 ASP 37 HB2 ASP 37 1.000 9.746 21.868 283 HB3 ASP 37 HB3 ASP 37 2.691 10.213 21.778 284 H GLN 38 H GLN 38 0.299 10.513 18.156 285 HA GLN 38 HA GLN 38 2.769 9.382 17.014 286 HB2 GLN 38 HB2 GLN 38 -0.120 8.587 16.459 287 HB3 GLN 38 HB3 GLN 38 1.272 7.992 15.548 288 HG2 GLN 38 HG2 GLN 38 0.955 7.671 18.551 289 HG3 GLN 38 HG3 GLN 38 0.412 6.475 17.378 290 HE21 GLN 38 HE21 GLN 38 4.421 6.745 18.187 291 HE22 GLN 38 HE22 GLN 38 3.347 8.035 18.740 292 H LEU 39 H LEU 39 -0.226 11.156 15.852 293 HA LEU 39 HA LEU 39 1.321 12.151 13.615 294 HB2 LEU 39 HB2 LEU 39 -1.224 13.309 14.819 295 HB3 LEU 39 HB3 LEU 39 -0.515 13.780 13.273 296 HG LEU 39 HG LEU 39 -1.671 11.102 14.035 297 HD11 LEU 39 HD11 LEU 39 -2.511 13.052 11.843 298 HD12 LEU 39 HD12 LEU 39 -3.351 11.574 12.330 299 HD13 LEU 39 HD13 LEU 39 -3.279 12.948 13.442 300 HD21 LEU 39 HD21 LEU 39 0.162 10.601 12.482 301 HD22 LEU 39 HD22 LEU 39 -1.287 10.629 11.474 302 HD23 LEU 39 HD23 LEU 39 -0.210 12.025 11.486 303 H LEU 40 H LEU 40 0.608 13.808 16.819 304 HA LEU 40 HA LEU 40 1.869 16.212 15.707 305 HB2 LEU 40 HB2 LEU 40 1.058 15.757 18.579 306 HB3 LEU 40 HB3 LEU 40 1.500 17.260 17.811 307 HG LEU 40 HG LEU 40 -0.704 17.657 17.655 308 HD11 LEU 40 HD11 LEU 40 -0.939 15.545 15.495 309 HD12 LEU 40 HD12 LEU 40 -1.910 16.992 15.730 310 HD13 LEU 40 HD13 LEU 40 -0.210 17.128 15.227 311 HD21 LEU 40 HD21 LEU 40 -1.487 14.780 17.647 312 HD22 LEU 40 HD22 LEU 40 -1.120 15.703 19.127 313 HD23 LEU 40 HD23 LEU 40 -2.431 16.225 18.073 314 H VAL 41 H VAL 41 3.077 13.392 17.139 315 HA VAL 41 HA VAL 41 5.659 14.372 18.014 316 HB VAL 41 HB VAL 41 4.537 11.677 17.220 317 HG11 VAL 41 HG11 VAL 41 6.858 11.509 16.470 318 HG12 VAL 41 HG12 VAL 41 7.445 12.224 17.990 319 HG13 VAL 41 HG13 VAL 41 6.674 10.623 17.979 320 HG21 VAL 41 HG21 VAL 41 4.024 12.630 19.475 321 HG22 VAL 41 HG22 VAL 41 5.101 11.235 19.648 322 HG23 VAL 41 HG23 VAL 41 5.752 12.873 19.788 323 H LEU 42 H LEU 42 4.282 13.457 14.874 324 HA LEU 42 HA LEU 42 6.739 13.657 13.403 325 HB2 LEU 42 HB2 LEU 42 3.912 14.213 12.495 326 HB3 LEU 42 HB3 LEU 42 5.289 13.985 11.448 327 HG LEU 42 HG LEU 42 4.433 11.805 13.403 328 HD11 LEU 42 HD11 LEU 42 2.563 12.437 11.728 329 HD12 LEU 42 HD12 LEU 42 3.621 11.726 10.499 330 HD13 LEU 42 HD13 LEU 42 3.074 10.741 11.849 331 HD21 LEU 42 HD21 LEU 42 6.138 11.910 10.902 332 HD22 LEU 42 HD22 LEU 42 6.670 11.553 12.555 333 HD23 LEU 42 HD23 LEU 42 5.643 10.389 11.704 334 H GLU 43 H GLU 43 4.089 16.080 13.812 335 HA GLU 43 HA GLU 43 5.319 18.381 12.831 336 HB2 GLU 43 HB2 GLU 43 3.204 18.717 13.640 337 HB3 GLU 43 HB3 GLU 43 3.474 17.924 15.164 338 HG2 GLU 43 HG2 GLU 43 4.888 20.527 14.493 339 HG3 GLU 43 HG3 GLU 43 3.210 20.598 14.892 340 H LYS 44 H LYS 44 5.930 16.973 16.039 341 HA LYS 44 HA LYS 44 7.882 18.898 16.892 342 HB2 LYS 44 HB2 LYS 44 6.624 17.332 18.362 343 HB3 LYS 44 HB3 LYS 44 7.545 15.980 17.711 344 HG2 LYS 44 HG2 LYS 44 9.652 16.972 18.582 345 HG3 LYS 44 HG3 LYS 44 8.748 18.364 19.198 346 HD2 LYS 44 HD2 LYS 44 7.453 16.859 20.696 347 HD3 LYS 44 HD3 LYS 44 8.356 15.460 20.074 348 HE2 LYS 44 HE2 LYS 44 10.478 16.476 20.877 349 HE3 LYS 44 HE3 LYS 44 9.587 17.872 21.493 350 HZ1 LYS 44 HZ1 LYS 44 9.253 15.080 22.445 351 HZ2 LYS 44 HZ2 LYS 44 10.029 16.269 23.240 352 HZ3 LYS 44 HZ3 LYS 44 8.420 16.365 23.009 353 H LYS 45 H LYS 45 8.416 15.616 15.575 354 HA LYS 45 HA LYS 45 11.257 15.738 15.430 355 HB2 LYS 45 HB2 LYS 45 9.833 13.688 15.291 356 HB3 LYS 45 HB3 LYS 45 9.276 14.185 13.691 357 HG2 LYS 45 HG2 LYS 45 11.621 14.066 12.847 358 HG3 LYS 45 HG3 LYS 45 12.168 13.546 14.443 359 HD2 LYS 45 HD2 LYS 45 10.175 12.075 12.656 360 HD3 LYS 45 HD3 LYS 45 11.883 11.682 12.774 361 HE2 LYS 45 HE2 LYS 45 9.896 11.529 15.095 362 HE3 LYS 45 HE3 LYS 45 10.370 10.168 14.082 363 HZ1 LYS 45 HZ1 LYS 45 12.247 11.711 15.790 364 HZ2 LYS 45 HZ2 LYS 45 11.674 10.223 16.106 365 HZ3 LYS 45 HZ3 LYS 45 12.658 10.450 14.837 366 H THR 46 H THR 46 8.843 16.585 12.992 367 HA THR 46 HA THR 46 10.636 17.241 10.839 368 HB THR 46 HB THR 46 8.665 18.292 9.848 369 HG1 THR 46 HG1 THR 46 7.319 17.364 12.127 370 HG21 THR 46 HG21 THR 46 8.239 15.529 11.093 371 HG22 THR 46 HG22 THR 46 7.208 16.276 9.848 372 HG23 THR 46 HG23 THR 46 8.922 15.903 9.517 373 H ARG 47 H ARG 47 9.039 19.380 13.289 374 HA ARG 47 HA ARG 47 10.330 21.808 12.388 375 HB2 ARG 47 HB2 ARG 47 8.515 22.094 13.949 376 HB3 ARG 47 HB3 ARG 47 9.193 20.913 15.063 377 HG2 ARG 47 HG2 ARG 47 9.365 23.022 16.039 378 HG3 ARG 47 HG3 ARG 47 10.997 22.528 15.665 379 HD2 ARG 47 HD2 ARG 47 9.374 24.418 13.895 380 HD3 ARG 47 HD3 ARG 47 10.324 24.962 15.281 381 HE ARG 47 HE ARG 47 11.970 23.404 13.493 382 HH11 ARG 47 HH11 ARG 47 13.559 24.335 12.355 383 HH12 ARG 47 HH12 ARG 47 13.589 26.058 12.134 384 HH21 ARG 47 HH21 ARG 47 10.760 26.691 13.955 385 HH22 ARG 47 HH22 ARG 47 12.085 27.334 13.009 386 H GLN 48 H GLN 48 11.370 19.379 14.841 387 HA GLN 48 HA GLN 48 13.760 20.817 15.462 388 HB2 GLN 48 HB2 GLN 48 12.918 17.956 16.006 389 HB3 GLN 48 HB3 GLN 48 14.395 18.670 16.650 390 HG2 GLN 48 HG2 GLN 48 11.588 19.762 17.148 391 HG3 GLN 48 HG3 GLN 48 12.482 18.732 18.263 392 HE21 GLN 48 HE21 GLN 48 12.864 22.393 19.189 393 HE22 GLN 48 HE22 GLN 48 11.458 21.384 18.889 394 H ALA 49 H ALA 49 13.210 18.172 13.128 395 HA ALA 49 HA ALA 49 15.967 17.855 12.400 396 HB1 ALA 49 HB1 ALA 49 14.953 16.433 10.635 397 HB2 ALA 49 HB2 ALA 49 14.248 16.091 12.227 398 HB3 ALA 49 HB3 ALA 49 13.343 17.066 11.052 399 H SER 50 H SER 50 13.802 20.385 11.684 400 HA SER 50 HA SER 50 13.530 21.921 10.086 401 HB2 SER 50 HB2 SER 50 16.406 21.418 9.264 402 HB3 SER 50 HB3 SER 50 15.402 22.805 8.812 403 HG SER 50 HG SER 50 16.210 22.050 11.424 404 H ASP 51 H ASP 51 12.789 19.247 9.563 405 HA ASP 51 HA ASP 51 12.653 19.057 6.579 406 HB2 ASP 51 HB2 ASP 51 11.730 17.221 8.824 407 HB3 ASP 51 HB3 ASP 51 11.422 16.919 7.114 408 H LEU 52 H LEU 52 11.405 21.033 8.593 409 HA LEU 52 HA LEU 52 8.867 20.671 9.261 410 HB2 LEU 52 HB2 LEU 52 8.823 22.895 9.778 411 HB3 LEU 52 HB3 LEU 52 10.455 22.297 10.026 412 HG LEU 52 HG LEU 52 10.602 24.497 9.309 413 HD11 LEU 52 HD11 LEU 52 12.299 23.069 8.312 414 HD12 LEU 52 HD12 LEU 52 11.286 22.851 6.865 415 HD13 LEU 52 HD13 LEU 52 11.917 24.453 7.277 416 HD21 LEU 52 HD21 LEU 52 9.582 25.550 7.488 417 HD22 LEU 52 HD22 LEU 52 9.144 24.028 6.701 418 HD23 LEU 52 HD23 LEU 52 8.296 24.531 8.167 419 H ALA 53 H ALA 53 9.636 21.359 6.084 420 HA ALA 53 HA ALA 53 7.172 22.401 5.049 421 HB1 ALA 53 HB1 ALA 53 9.018 20.280 3.860 422 HB2 ALA 53 HB2 ALA 53 7.812 21.235 2.965 423 HB3 ALA 53 HB3 ALA 53 9.211 22.051 3.693 424 H SER 54 H SER 54 7.936 19.270 6.400 425 HA SER 54 HA SER 54 5.347 17.985 5.762 426 HB2 SER 54 HB2 SER 54 6.217 16.278 7.438 427 HB3 SER 54 HB3 SER 54 7.177 16.509 5.965 428 HG SER 54 HG SER 54 8.682 17.715 7.112 429 H SER 55 H SER 55 6.977 19.136 8.781 430 HA SER 55 HA SER 55 5.024 19.143 10.659 431 HB2 SER 55 HB2 SER 55 7.418 20.300 10.676 432 HB3 SER 55 HB3 SER 55 6.522 21.740 10.250 433 HG SER 55 HG SER 55 6.541 20.279 12.617 434 H LYS 56 H LYS 56 5.295 21.530 8.090 435 HA LYS 56 HA LYS 56 3.169 23.289 8.765 436 HB2 LYS 56 HB2 LYS 56 5.041 23.575 7.081 437 HB3 LYS 56 HB3 LYS 56 4.095 22.571 5.964 438 HG2 LYS 56 HG2 LYS 56 2.250 24.227 6.030 439 HG3 LYS 56 HG3 LYS 56 3.157 25.200 7.205 440 HD2 LYS 56 HD2 LYS 56 4.967 25.526 5.539 441 HD3 LYS 56 HD3 LYS 56 4.065 24.536 4.366 442 HE2 LYS 56 HE2 LYS 56 2.172 26.155 4.475 443 HE3 LYS 56 HE3 LYS 56 3.084 27.145 5.617 444 HZ1 LYS 56 HZ1 LYS 56 3.305 27.969 3.344 445 HZ2 LYS 56 HZ2 LYS 56 4.763 27.487 3.883 446 HZ3 LYS 56 HZ3 LYS 56 3.928 26.561 2.831 447 H GLU 57 H GLU 57 2.975 20.171 7.160 448 HA GLU 57 HA GLU 57 0.122 20.482 6.433 449 HB2 GLU 57 HB2 GLU 57 2.113 18.225 6.142 450 HB3 GLU 57 HB3 GLU 57 0.428 18.096 5.658 451 HG2 GLU 57 HG2 GLU 57 2.434 20.121 4.580 452 HG3 GLU 57 HG3 GLU 57 1.973 18.616 3.776 453 H VAL 58 H VAL 58 2.134 18.993 8.948 454 HA VAL 58 HA VAL 58 -0.005 17.536 10.270 455 HB VAL 58 HB VAL 58 2.292 18.769 11.749 456 HG11 VAL 58 HG11 VAL 58 0.829 16.095 12.060 457 HG12 VAL 58 HG12 VAL 58 2.054 16.743 13.157 458 HG13 VAL 58 HG13 VAL 58 0.492 17.549 13.009 459 HG21 VAL 58 HG21 VAL 58 3.675 16.791 11.354 460 HG22 VAL 58 HG22 VAL 58 2.446 16.176 10.235 461 HG23 VAL 58 HG23 VAL 58 3.364 17.658 9.853 462 H LEU 59 H LEU 59 1.343 20.752 10.575 463 HA LEU 59 HA LEU 59 0.029 21.679 12.815 464 HB2 LEU 59 HB2 LEU 59 1.304 22.862 10.398 465 HB3 LEU 59 HB3 LEU 59 0.324 23.957 11.375 466 HG LEU 59 HG LEU 59 2.391 22.195 12.711 467 HD11 LEU 59 HD11 LEU 59 2.752 24.930 11.399 468 HD12 LEU 59 HD12 LEU 59 3.928 24.162 12.496 469 HD13 LEU 59 HD13 LEU 59 3.553 23.405 10.948 470 HD21 LEU 59 HD21 LEU 59 0.564 23.360 13.960 471 HD22 LEU 59 HD22 LEU 59 2.210 23.815 14.421 472 HD23 LEU 59 HD23 LEU 59 1.229 24.904 13.391 473 H ALA 60 H ALA 60 -1.204 21.756 9.545 474 HA ALA 60 HA ALA 60 -3.660 23.047 10.251 475 HB1 ALA 60 HB1 ALA 60 -4.303 22.495 7.900 476 HB2 ALA 60 HB2 ALA 60 -2.638 23.110 7.968 477 HB3 ALA 60 HB3 ALA 60 -2.926 21.364 7.802 478 H LYS 61 H LYS 61 -2.806 20.130 11.291 479 HA LYS 61 HA LYS 61 -5.575 19.667 12.039 480 HB2 LYS 61 HB2 LYS 61 -5.943 17.835 11.053 481 HB3 LYS 61 HB3 LYS 61 -4.498 18.117 10.101 482 HG2 LYS 61 HG2 LYS 61 -4.583 16.388 12.619 483 HG3 LYS 61 HG3 LYS 61 -4.866 15.785 11.011 484 HD2 LYS 61 HD2 LYS 61 -2.286 17.060 11.955 485 HD3 LYS 61 HD3 LYS 61 -2.575 15.343 11.790 486 HE2 LYS 61 HE2 LYS 61 -2.551 17.398 9.529 487 HE3 LYS 61 HE3 LYS 61 -1.317 16.175 9.846 488 HZ1 LYS 61 HZ1 LYS 61 -2.958 14.449 9.285 489 HZ2 LYS 61 HZ2 LYS 61 -4.101 15.577 8.982 490 HZ3 LYS 61 HZ3 LYS 61 -2.779 15.491 8.055 491 H ILE 62 H ILE 62 -2.701 20.421 13.050 492 HA ILE 62 HA ILE 62 -2.319 19.114 15.505 493 HB ILE 62 HB ILE 62 -1.332 21.312 14.192 494 HG12 ILE 62 HG12 ILE 62 0.244 21.473 16.221 495 HG13 ILE 62 HG13 ILE 62 -0.671 20.068 16.810 496 HG21 ILE 62 HG21 ILE 62 -1.276 23.257 15.556 497 HG22 ILE 62 HG22 ILE 62 -2.901 22.885 15.038 498 HG23 ILE 62 HG23 ILE 62 -2.399 22.525 16.724 499 HD11 ILE 62 HD11 ILE 62 1.089 19.118 15.521 500 HD12 ILE 62 HD12 ILE 62 -0.259 19.183 14.339 501 HD13 ILE 62 HD13 ILE 62 1.014 20.409 14.307 502 H VAL 63 H VAL 63 -4.813 21.467 14.578 503 HA VAL 63 HA VAL 63 -5.800 21.696 17.343 504 HB VAL 63 HB VAL 63 -6.198 23.427 15.689 505 HG11 VAL 63 HG11 VAL 63 -8.342 21.641 14.510 506 HG12 VAL 63 HG12 VAL 63 -7.925 23.306 14.049 507 HG13 VAL 63 HG13 VAL 63 -6.783 21.990 13.720 508 HG21 VAL 63 HG21 VAL 63 -8.514 22.139 17.116 509 HG22 VAL 63 HG22 VAL 63 -7.434 23.426 17.686 510 HG23 VAL 63 HG23 VAL 63 -8.611 23.749 16.386 511 H ASP 64 H ASP 64 -6.589 19.674 14.648 512 HA ASP 64 HA ASP 64 -8.894 18.506 15.768 513 HB2 ASP 64 HB2 ASP 64 -7.157 17.585 13.432 514 HB3 ASP 64 HB3 ASP 64 -8.727 16.894 13.827 515 H LEU 65 H LEU 65 -5.604 17.646 16.336 516 HA LEU 65 HA LEU 65 -6.608 15.265 17.878 517 HB2 LEU 65 HB2 LEU 65 -3.978 15.538 16.430 518 HB3 LEU 65 HB3 LEU 65 -4.157 14.539 17.868 519 HG LEU 65 HG LEU 65 -6.109 13.333 16.636 520 HD11 LEU 65 HD11 LEU 65 -4.676 14.666 14.297 521 HD12 LEU 65 HD12 LEU 65 -5.837 13.319 14.172 522 HD13 LEU 65 HD13 LEU 65 -6.370 14.894 14.769 523 HD21 LEU 65 HD21 LEU 65 -3.200 13.048 15.882 524 HD22 LEU 65 HD22 LEU 65 -4.104 12.222 17.168 525 HD23 LEU 65 HD23 LEU 65 -4.480 11.871 15.486 526 H LEU 66 H LEU 66 -4.305 18.094 18.046 527 HA LEU 66 HA LEU 66 -3.706 17.494 20.789 528 HB2 LEU 66 HB2 LEU 66 -2.432 18.847 18.880 529 HB3 LEU 66 HB3 LEU 66 -3.303 20.206 19.551 530 HG LEU 66 HG LEU 66 -2.210 19.790 21.744 531 HD11 LEU 66 HD11 LEU 66 -0.526 17.775 20.189 532 HD12 LEU 66 HD12 LEU 66 -0.256 18.321 21.858 533 HD13 LEU 66 HD13 LEU 66 -1.677 17.354 21.477 534 HD21 LEU 66 HD21 LEU 66 -1.247 21.429 20.286 535 HD22 LEU 66 HD22 LEU 66 0.104 20.448 20.876 536 HD23 LEU 66 HD23 LEU 66 -0.514 20.182 19.248 537 H ALA 67 H ALA 67 -5.520 20.399 19.520 538 HA ALA 67 HA ALA 67 -6.670 21.121 22.010 539 HB1 ALA 67 HB1 ALA 67 -7.884 21.433 19.223 540 HB2 ALA 67 HB2 ALA 67 -8.235 22.422 20.649 541 HB3 ALA 67 HB3 ALA 67 -6.632 22.475 19.880 542 H SER 68 H SER 68 -7.915 18.881 19.600 543 HA SER 68 HA SER 68 -10.514 18.573 20.711 544 HB2 SER 68 HB2 SER 68 -10.836 16.859 19.075 545 HB3 SER 68 HB3 SER 68 -9.751 18.056 18.335 546 HG SER 68 HG SER 68 -8.727 16.175 17.983 547 H ARG 69 H ARG 69 -7.538 17.001 21.600 548 HA ARG 69 HA ARG 69 -8.953 15.030 23.377 549 HB2 ARG 69 HB2 ARG 69 -6.111 14.978 22.341 550 HB3 ARG 69 HB3 ARG 69 -6.858 13.738 23.333 551 HG2 ARG 69 HG2 ARG 69 -7.672 14.411 20.466 552 HG3 ARG 69 HG3 ARG 69 -6.626 13.097 20.962 553 HD2 ARG 69 HD2 ARG 69 -8.734 12.140 20.558 554 HD3 ARG 69 HD3 ARG 69 -8.520 12.147 22.318 555 HE ARG 69 HE ARG 69 -9.913 14.520 21.519 556 HH11 ARG 69 HH11 ARG 69 -10.636 11.081 21.724 557 HH12 ARG 69 HH12 ARG 69 -12.326 11.399 22.019 558 HH21 ARG 69 HH21 ARG 69 -11.987 14.820 21.968 559 HH22 ARG 69 HH22 ARG 69 -13.076 13.451 22.131 560 H ASN 70 H ASN 70 -8.645 17.814 23.913 561 HA ASN 70 HA ASN 70 -8.225 19.214 25.520 562 HB2 ASN 70 HB2 ASN 70 -7.976 16.773 27.298 563 HB3 ASN 70 HB3 ASN 70 -8.226 18.421 27.866 564 HD21 ASN 70 HD21 ASN 70 -11.490 16.413 27.259 565 HD22 ASN 70 HD22 ASN 70 -9.933 15.771 27.756 566 H LYS 71 H LYS 71 -5.814 18.337 23.992 567 HA LYS 71 HA LYS 71 -3.811 19.503 25.817 568 HB2 LYS 71 HB2 LYS 71 -3.303 18.245 23.109 569 HB3 LYS 71 HB3 LYS 71 -2.088 18.837 24.224 570 HG2 LYS 71 HG2 LYS 71 -3.923 16.451 24.622 571 HG3 LYS 71 HG3 LYS 71 -2.203 16.424 24.229 572 HD2 LYS 71 HD2 LYS 71 -1.655 17.451 26.415 573 HD3 LYS 71 HD3 LYS 71 -3.387 17.493 26.835 574 HE2 LYS 71 HE2 LYS 71 -3.514 15.033 26.629 575 HE3 LYS 71 HE3 LYS 71 -1.795 14.967 26.203 576 HZ1 LYS 71 HZ1 LYS 71 -2.867 15.943 28.793 577 HZ2 LYS 71 HZ2 LYS 71 -2.146 14.504 28.549 578 HZ3 LYS 71 HZ3 LYS 71 -1.286 15.875 28.397 579 H TRP 72 H TRP 72 -6.086 20.859 24.595 580 HA TRP 72 HA TRP 72 -5.392 22.864 22.791 581 HB2 TRP 72 HB2 TRP 72 -6.929 24.247 24.551 582 HB3 TRP 72 HB3 TRP 72 -7.517 23.134 23.337 583 HD1 TRP 72 HD1 TRP 72 -9.397 21.847 24.072 584 HE1 TRP 72 HE1 TRP 72 -10.303 20.862 26.227 585 HE3 TRP 72 HE3 TRP 72 -5.602 23.139 27.326 586 HZ2 TRP 72 HZ2 TRP 72 -9.564 20.641 28.975 587 HZ3 TRP 72 HZ3 TRP 72 -5.721 22.453 29.692 588 HH2 TRP 72 HH2 TRP 72 -7.705 21.230 30.545 589 H ASP 73 H ASP 73 -4.105 22.516 26.008 590 HA ASP 73 HA ASP 73 -3.161 25.161 26.464 591 HB2 ASP 73 HB2 ASP 73 -3.328 23.233 28.079 592 HB3 ASP 73 HB3 ASP 73 -1.988 22.459 27.255 593 H ASP 74 H ASP 74 -1.935 22.534 24.398 594 HA ASP 74 HA ASP 74 0.609 23.869 23.936 595 HB2 ASP 74 HB2 ASP 74 -0.599 21.315 22.879 596 HB3 ASP 74 HB3 ASP 74 1.026 21.890 22.491 597 H LEU 75 H LEU 75 -2.526 23.941 22.296 598 HA LEU 75 HA LEU 75 -1.822 24.423 19.608 599 HB2 LEU 75 HB2 LEU 75 -4.110 24.821 21.328 600 HB3 LEU 75 HB3 LEU 75 -3.904 26.135 20.164 601 HG LEU 75 HG LEU 75 -5.377 24.230 19.513 602 HD11 LEU 75 HD11 LEU 75 -4.692 25.692 17.833 603 HD12 LEU 75 HD12 LEU 75 -3.087 24.930 17.673 604 HD13 LEU 75 HD13 LEU 75 -4.553 24.060 17.170 605 HD21 LEU 75 HD21 LEU 75 -2.838 22.641 19.049 606 HD22 LEU 75 HD22 LEU 75 -3.916 22.420 20.446 607 HD23 LEU 75 HD23 LEU 75 -4.493 22.126 18.804 608 H ASN 76 H ASN 76 -1.766 26.642 22.271 609 HA ASN 76 HA ASN 76 -0.956 29.087 21.255 610 HB2 ASN 76 HB2 ASN 76 -1.271 29.021 23.539 611 HB3 ASN 76 HB3 ASN 76 -0.572 27.425 23.701 612 HD21 ASN 76 HD21 ASN 76 2.308 28.697 25.165 613 HD22 ASN 76 HD22 ASN 76 1.060 27.461 25.129 614 H GLU 77 H GLU 77 1.249 26.301 21.759 615 HA GLU 77 HA GLU 77 3.520 27.824 20.734 616 HB2 GLU 77 HB2 GLU 77 3.868 26.263 22.544 617 HB3 GLU 77 HB3 GLU 77 3.294 24.908 21.551 618 HG2 GLU 77 HG2 GLU 77 5.185 25.004 20.108 619 HG3 GLU 77 HG3 GLU 77 5.610 26.637 20.627 620 H GLN 78 H GLN 78 1.135 25.673 19.320 621 HA GLN 78 HA GLN 78 2.753 24.694 17.172 622 HB2 GLN 78 HB2 GLN 78 -0.243 24.996 17.041 623 HB3 GLN 78 HB3 GLN 78 0.806 23.819 16.229 624 HG2 GLN 78 HG2 GLN 78 0.111 23.978 19.158 625 HG3 GLN 78 HG3 GLN 78 -0.334 22.696 18.071 626 HE21 GLN 78 HE21 GLN 78 1.580 23.257 20.641 627 HE22 GLN 78 HE22 GLN 78 2.934 22.195 20.232 628 H LEU 79 H LEU 79 0.714 27.507 17.481 629 HA LEU 79 HA LEU 79 0.968 28.782 14.951 630 HB2 LEU 79 HB2 LEU 79 0.638 29.605 17.845 631 HB3 LEU 79 HB3 LEU 79 0.921 30.856 16.667 632 HG LEU 79 HG LEU 79 -1.112 30.641 15.619 633 HD11 LEU 79 HD11 LEU 79 -1.602 27.935 16.925 634 HD12 LEU 79 HD12 LEU 79 -2.766 28.844 15.925 635 HD13 LEU 79 HD13 LEU 79 -1.289 28.241 15.191 636 HD21 LEU 79 HD21 LEU 79 -1.576 29.927 18.553 637 HD22 LEU 79 HD22 LEU 79 -1.184 31.546 17.937 638 HD23 LEU 79 HD23 LEU 79 -2.716 30.786 17.500 639 H THR 80 H THR 80 3.351 28.427 17.533 640 HA THR 80 HA THR 80 5.059 30.669 16.653 641 HB THR 80 HB THR 80 4.806 28.841 19.011 642 HG1 THR 80 HG1 THR 80 3.785 30.762 19.108 643 HG21 THR 80 HG21 THR 80 7.322 30.403 18.388 644 HG22 THR 80 HG22 THR 80 6.872 29.797 20.006 645 HG23 THR 80 HG23 THR 80 7.162 28.649 18.683 646 H LEU 81 H LEU 81 5.191 27.117 16.753 647 HA LEU 81 HA LEU 81 7.667 26.213 16.574 648 HB2 LEU 81 HB2 LEU 81 5.679 25.587 14.412 649 HB3 LEU 81 HB3 LEU 81 7.090 24.617 14.864 650 HG LEU 81 HG LEU 81 4.649 25.184 16.560 651 HD11 LEU 81 HD11 LEU 81 4.111 22.857 16.093 652 HD12 LEU 81 HD12 LEU 81 4.397 23.709 14.573 653 HD13 LEU 81 HD13 LEU 81 5.654 22.651 15.223 654 HD21 LEU 81 HD21 LEU 81 7.070 23.447 17.149 655 HD22 LEU 81 HD22 LEU 81 6.554 24.902 18.049 656 HD23 LEU 81 HD23 LEU 81 5.555 23.445 18.078 657 H LEU 82 H LEU 82 6.346 27.188 13.440 658 HA LEU 82 HA LEU 82 8.990 27.019 12.289 659 HB2 LEU 82 HB2 LEU 82 6.533 28.154 10.920 660 HB3 LEU 82 HB3 LEU 82 7.923 27.399 10.164 661 HG LEU 82 HG LEU 82 5.734 26.024 11.788 662 HD11 LEU 82 HD11 LEU 82 5.072 26.609 9.514 663 HD12 LEU 82 HD12 LEU 82 6.536 25.860 8.855 664 HD13 LEU 82 HD13 LEU 82 5.297 24.858 9.643 665 HD21 LEU 82 HD21 LEU 82 8.293 24.902 10.605 666 HD22 LEU 82 HD22 LEU 82 7.774 24.845 12.303 667 HD23 LEU 82 HD23 LEU 82 6.897 23.899 11.107 668 H SER 83 H SER 83 7.471 29.544 13.888 669 HA SER 83 HA SER 83 8.936 31.727 12.507 670 HB2 SER 83 HB2 SER 83 6.464 31.921 12.927 671 HB3 SER 83 HB3 SER 83 6.801 31.893 14.664 672 HG SER 83 HG SER 83 8.191 33.732 14.270 673 H LYS 84 H LYS 84 9.495 29.595 15.070 674 HA LYS 84 HA LYS 84 10.441 31.081 17.232 675 HB2 LYS 84 HB2 LYS 84 11.543 28.542 15.973 676 HB3 LYS 84 HB3 LYS 84 12.184 29.209 17.470 677 HG2 LYS 84 HG2 LYS 84 10.035 28.970 18.603 678 HG3 LYS 84 HG3 LYS 84 9.277 28.383 17.113 679 HD2 LYS 84 HD2 LYS 84 10.895 26.487 17.046 680 HD3 LYS 84 HD3 LYS 84 11.610 27.022 18.564 681 HE2 LYS 84 HE2 LYS 84 8.666 26.286 18.255 682 HE3 LYS 84 HE3 LYS 84 9.910 25.092 18.630 683 HZ1 LYS 84 HZ1 LYS 84 8.828 25.941 20.669 684 HZ2 LYS 84 HZ2 LYS 84 10.422 26.256 20.664 685 HZ3 LYS 84 HZ3 LYS 84 9.362 27.453 20.361 686 H LYS 85 H LYS 85 11.628 32.824 17.207 687 HA LYS 85 HA LYS 85 13.167 34.436 16.764 688 HB2 LYS 85 HB2 LYS 85 15.083 32.085 16.530 689 HB3 LYS 85 HB3 LYS 85 15.534 33.772 16.781 690 HG2 LYS 85 HG2 LYS 85 14.265 33.795 18.927 691 HG3 LYS 85 HG3 LYS 85 13.902 32.071 18.718 692 HD2 LYS 85 HD2 LYS 85 16.330 31.557 18.693 693 HD3 LYS 85 HD3 LYS 85 16.695 33.280 18.920 694 HE2 LYS 85 HE2 LYS 85 15.418 33.260 21.061 695 HE3 LYS 85 HE3 LYS 85 15.081 31.537 20.844 696 HZ1 LYS 85 HZ1 LYS 85 17.481 31.134 20.949 697 HZ2 LYS 85 HZ2 LYS 85 17.787 32.724 21.148 698 HZ3 LYS 85 HZ3 LYS 85 16.985 31.899 22.294 699 H HIS 86 H HIS 86 11.762 33.270 14.353 700 HA HIS 86 HA HIS 86 13.677 33.497 12.155 701 HB2 HIS 86 HB2 HIS 86 11.575 31.963 12.410 702 HB3 HIS 86 HB3 HIS 86 10.669 33.367 11.851 703 HD2 HIS 86 HD2 HIS 86 12.008 30.310 10.546 704 HE1 HIS 86 HE1 HIS 86 12.620 32.962 7.263 705 HE2 HIS 86 HE2 HIS 86 12.555 30.522 7.975 706 H GLY 87 H GLY 87 13.541 35.002 10.405 707 HA2 GLY 87 HA2 GLY 87 12.873 37.782 11.129 708 HA3 GLY 87 HA3 GLY 87 13.644 37.212 9.648 709 H GLN 88 H GLN 88 11.094 35.210 9.740 710 HA GLN 88 HA GLN 88 9.695 36.375 7.652 711 HB2 GLN 88 HB2 GLN 88 9.682 34.004 8.070 712 HB3 GLN 88 HB3 GLN 88 8.929 34.221 9.646 713 HG2 GLN 88 HG2 GLN 88 7.343 33.296 8.120 714 HG3 GLN 88 HG3 GLN 88 6.807 34.898 8.573 715 HE21 GLN 88 HE21 GLN 88 6.636 34.197 4.772 716 HE22 GLN 88 HE22 GLN 88 6.327 33.091 6.097 717 H LEU 89 H LEU 89 7.842 37.369 7.347 718 HA LEU 89 HA LEU 89 6.759 39.206 9.334 719 HB2 LEU 89 HB2 LEU 89 7.066 39.814 7.011 720 HB3 LEU 89 HB3 LEU 89 6.073 38.490 6.449 721 HG LEU 89 HG LEU 89 5.185 40.877 6.360 722 HD11 LEU 89 HD11 LEU 89 2.888 40.229 6.651 723 HD12 LEU 89 HD12 LEU 89 3.798 38.909 5.891 724 HD13 LEU 89 HD13 LEU 89 3.357 38.810 7.599 725 HD21 LEU 89 HD21 LEU 89 4.478 40.392 9.279 726 HD22 LEU 89 HD22 LEU 89 5.703 41.537 8.685 727 HD23 LEU 89 HD23 LEU 89 4.000 41.762 8.262 728 H LYS 90 H LYS 90 5.489 38.451 10.944 729 HA LYS 90 HA LYS 90 4.347 35.922 11.078 730 HB2 LYS 90 HB2 LYS 90 4.655 37.434 13.028 731 HB3 LYS 90 HB3 LYS 90 3.315 38.446 12.451 732 HG2 LYS 90 HG2 LYS 90 2.708 37.048 14.344 733 HG3 LYS 90 HG3 LYS 90 1.701 36.724 12.931 734 HD2 LYS 90 HD2 LYS 90 2.796 34.622 12.527 735 HD3 LYS 90 HD3 LYS 90 4.136 35.048 13.599 736 HE2 LYS 90 HE2 LYS 90 3.012 33.603 14.972 737 HE3 LYS 90 HE3 LYS 90 2.347 35.151 15.490 738 HZ1 LYS 90 HZ1 LYS 90 0.593 33.534 15.209 739 HZ2 LYS 90 HZ2 LYS 90 0.360 34.666 14.073 740 HZ3 LYS 90 HZ3 LYS 90 1.019 33.198 13.675 741 H LEU 91 H LEU 91 2.667 38.844 9.869 742 HA LEU 91 HA LEU 91 0.121 37.751 9.649 743 HB2 LEU 91 HB2 LEU 91 1.443 40.130 8.803 744 HB3 LEU 91 HB3 LEU 91 0.556 39.520 7.416 745 HG LEU 91 HG LEU 91 -0.646 39.979 10.186 746 HD11 LEU 91 HD11 LEU 91 0.056 42.091 9.125 747 HD12 LEU 91 HD12 LEU 91 -0.848 41.659 7.655 748 HD13 LEU 91 HD13 LEU 91 -1.707 41.956 9.186 749 HD21 LEU 91 HD21 LEU 91 -1.924 38.298 8.879 750 HD22 LEU 91 HD22 LEU 91 -2.827 39.809 9.009 751 HD23 LEU 91 HD23 LEU 91 -1.975 39.407 7.497 752 H SER 92 H SER 92 2.767 36.636 7.937 753 HA SER 92 HA SER 92 1.278 35.527 5.619 754 HB2 SER 92 HB2 SER 92 3.612 36.423 5.372 755 HB3 SER 92 HB3 SER 92 4.165 35.188 6.514 756 HG SER 92 HG SER 92 3.044 34.826 3.930 757 H ILE 93 H ILE 93 2.971 34.346 8.577 758 HA ILE 93 HA ILE 93 1.841 31.642 8.133 759 HB ILE 93 HB ILE 93 4.185 31.955 8.860 760 HG12 ILE 93 HG12 ILE 93 2.503 30.349 10.853 761 HG13 ILE 93 HG13 ILE 93 2.686 29.875 9.161 762 HG21 ILE 93 HG21 ILE 93 3.819 33.786 10.507 763 HG22 ILE 93 HG22 ILE 93 3.059 32.592 11.600 764 HG23 ILE 93 HG23 ILE 93 4.765 32.435 11.136 765 HD11 ILE 93 HD11 ILE 93 5.127 29.735 9.450 766 HD12 ILE 93 HD12 ILE 93 4.937 30.148 11.175 767 HD13 ILE 93 HD13 ILE 93 4.228 28.651 10.545 768 H GLN 94 H GLN 94 0.913 34.531 9.659 769 HA GLN 94 HA GLN 94 -0.655 33.737 11.805 770 HB2 GLN 94 HB2 GLN 94 -0.116 36.015 11.317 771 HB3 GLN 94 HB3 GLN 94 -1.023 35.936 9.786 772 HG2 GLN 94 HG2 GLN 94 -2.208 37.233 11.323 773 HG3 GLN 94 HG3 GLN 94 -3.117 35.740 11.118 774 HE21 GLN 94 HE21 GLN 94 -3.142 36.357 14.751 775 HE22 GLN 94 HE22 GLN 94 -3.923 36.953 13.298 776 H TYR 95 H TYR 95 -1.349 33.473 8.348 777 HA TYR 95 HA TYR 95 -4.068 32.710 8.408 778 HB2 TYR 95 HB2 TYR 95 -1.729 32.055 6.597 779 HB3 TYR 95 HB3 TYR 95 -3.321 31.357 6.310 780 HD1 TYR 95 HD1 TYR 95 -1.318 34.451 6.203 781 HD2 TYR 95 HD2 TYR 95 -5.252 32.760 5.701 782 HE1 TYR 95 HE1 TYR 95 -2.052 36.514 5.038 783 HE2 TYR 95 HE2 TYR 95 -5.991 34.834 4.529 784 HH TYR 95 HH TYR 95 -3.769 37.589 4.006 785 H MET 96 H MET 96 -1.340 30.857 9.670 786 HA MET 96 HA MET 96 -2.646 28.277 9.746 787 HB2 MET 96 HB2 MET 96 -0.149 28.764 10.043 788 HB3 MET 96 HB3 MET 96 -0.556 29.458 11.622 789 HG2 MET 96 HG2 MET 96 0.262 27.122 11.781 790 HG3 MET 96 HG3 MET 96 -1.352 27.328 12.437 791 HE1 MET 96 HE1 MET 96 -0.175 26.842 8.591 792 HE2 MET 96 HE2 MET 96 0.865 25.823 9.612 793 HE3 MET 96 HE3 MET 96 -0.308 25.075 8.509 794 H ILE 97 H ILE 97 -2.909 31.194 11.670 795 HA ILE 97 HA ILE 97 -3.829 30.075 14.089 796 HB ILE 97 HB ILE 97 -3.151 32.561 13.423 797 HG12 ILE 97 HG12 ILE 97 -5.211 32.090 15.604 798 HG13 ILE 97 HG13 ILE 97 -3.562 31.466 15.659 799 HG21 ILE 97 HG21 ILE 97 -6.198 32.781 13.543 800 HG22 ILE 97 HG22 ILE 97 -5.037 34.108 13.312 801 HG23 ILE 97 HG23 ILE 97 -5.274 32.910 12.037 802 HD11 ILE 97 HD11 ILE 97 -4.342 34.388 15.539 803 HD12 ILE 97 HD12 ILE 97 -3.614 33.481 16.893 804 HD13 ILE 97 HD13 ILE 97 -2.674 33.797 15.399 805 H GLN 98 H GLN 98 -5.488 30.232 11.106 806 HA GLN 98 HA GLN 98 -8.193 30.130 11.892 807 HB2 GLN 98 HB2 GLN 98 -6.697 28.622 9.713 808 HB3 GLN 98 HB3 GLN 98 -8.460 28.626 9.892 809 HG2 GLN 98 HG2 GLN 98 -8.482 31.105 9.669 810 HG3 GLN 98 HG3 GLN 98 -6.737 31.103 9.418 811 HE21 GLN 98 HE21 GLN 98 -8.245 31.236 6.040 812 HE22 GLN 98 HE22 GLN 98 -8.123 32.295 7.442 813 H LYS 99 H LYS 99 -5.642 27.664 12.353 814 HA LYS 99 HA LYS 99 -7.479 25.604 13.259 815 HB2 LYS 99 HB2 LYS 99 -4.453 25.957 13.636 816 HB3 LYS 99 HB3 LYS 99 -5.327 24.479 13.988 817 HG2 LYS 99 HG2 LYS 99 -5.124 25.787 11.231 818 HG3 LYS 99 HG3 LYS 99 -4.184 24.418 11.788 819 HD2 LYS 99 HD2 LYS 99 -5.976 22.937 11.690 820 HD3 LYS 99 HD3 LYS 99 -7.200 24.174 11.896 821 HE2 LYS 99 HE2 LYS 99 -6.794 25.069 9.651 822 HE3 LYS 99 HE3 LYS 99 -5.601 23.798 9.345 823 HZ1 LYS 99 HZ1 LYS 99 -7.330 22.155 9.609 824 HZ2 LYS 99 HZ2 LYS 99 -8.450 23.287 10.053 825 HZ3 LYS 99 HZ3 LYS 99 -7.868 23.252 8.524 826 H VAL 100 H VAL 100 -5.533 28.023 15.033 827 HA VAL 100 HA VAL 100 -6.573 27.274 17.601 828 HB VAL 100 HB VAL 100 -5.150 29.566 16.396 829 HG11 VAL 100 HG11 VAL 100 -6.952 30.949 17.308 830 HG12 VAL 100 HG12 VAL 100 -6.749 30.194 18.903 831 HG13 VAL 100 HG13 VAL 100 -5.447 31.178 18.180 832 HG21 VAL 100 HG21 VAL 100 -3.953 29.355 18.651 833 HG22 VAL 100 HG22 VAL 100 -5.116 28.113 19.089 834 HG23 VAL 100 HG23 VAL 100 -4.022 27.844 17.725 835 H MET 101 H MET 101 -7.775 29.548 15.127 836 HA MET 101 HA MET 101 -10.133 30.165 16.535 837 HB2 MET 101 HB2 MET 101 -9.472 30.450 13.593 838 HB3 MET 101 HB3 MET 101 -10.894 31.147 14.370 839 HG2 MET 101 HG2 MET 101 -9.413 32.375 15.953 840 HG3 MET 101 HG3 MET 101 -8.004 31.777 15.082 841 HE1 MET 101 HE1 MET 101 -7.246 34.333 15.012 842 HE2 MET 101 HE2 MET 101 -8.192 35.624 14.237 843 HE3 MET 101 HE3 MET 101 -8.773 34.882 15.739 844 H GLU 102 H GLU 102 -9.469 27.240 14.848 845 HA GLU 102 HA GLU 102 -12.199 26.865 14.005 846 HB2 GLU 102 HB2 GLU 102 -10.483 26.115 12.533 847 HB3 GLU 102 HB3 GLU 102 -9.724 25.109 13.784 848 HG2 GLU 102 HG2 GLU 102 -11.483 23.489 13.652 849 HG3 GLU 102 HG3 GLU 102 -12.534 24.605 12.772 850 H TYR 103 H TYR 103 -10.324 25.295 16.594 851 HA TYR 103 HA TYR 103 -12.898 24.296 17.644 852 HB2 TYR 103 HB2 TYR 103 -11.613 22.549 16.169 853 HB3 TYR 103 HB3 TYR 103 -10.571 22.394 17.568 854 HD1 TYR 103 HD1 TYR 103 -11.338 21.273 19.615 855 HD2 TYR 103 HD2 TYR 103 -13.976 21.886 16.250 856 HE1 TYR 103 HE1 TYR 103 -12.926 19.594 20.549 857 HE2 TYR 103 HE2 TYR 103 -15.559 20.214 17.184 858 HH TYR 103 HH TYR 103 -15.921 18.692 18.793 859 H LEU 104 H LEU 104 -9.449 24.823 18.272 860 HA LEU 104 HA LEU 104 -9.469 24.777 21.108 861 HB2 LEU 104 HB2 LEU 104 -7.487 24.745 19.798 862 HB3 LEU 104 HB3 LEU 104 -7.885 26.212 18.955 863 HG LEU 104 HG LEU 104 -5.971 26.415 20.475 864 HD11 LEU 104 HD11 LEU 104 -8.101 28.189 21.725 865 HD12 LEU 104 HD12 LEU 104 -6.448 28.553 21.244 866 HD13 LEU 104 HD13 LEU 104 -7.695 28.378 20.005 867 HD21 LEU 104 HD21 LEU 104 -6.647 24.900 22.201 868 HD22 LEU 104 HD22 LEU 104 -6.268 26.476 22.898 869 HD23 LEU 104 HD23 LEU 104 -7.966 25.979 22.740 870 H LYS 105 H LYS 105 -10.490 27.298 18.829 871 HA LYS 105 HA LYS 105 -11.101 29.432 20.535 872 HB2 LYS 105 HB2 LYS 105 -11.231 28.991 17.897 873 HB3 LYS 105 HB3 LYS 105 -12.931 28.829 18.247 874 HG2 LYS 105 HG2 LYS 105 -12.724 31.031 19.609 875 HG3 LYS 105 HG3 LYS 105 -11.074 31.168 18.949 876 HD2 LYS 105 HD2 LYS 105 -11.979 31.127 16.680 877 HD3 LYS 105 HD3 LYS 105 -13.618 30.894 17.344 878 HE2 LYS 105 HE2 LYS 105 -13.379 33.115 18.536 879 HE3 LYS 105 HE3 LYS 105 -11.802 33.332 17.766 880 HZ1 LYS 105 HZ1 LYS 105 -14.396 33.118 16.325 881 HZ2 LYS 105 HZ2 LYS 105 -13.564 34.491 16.566 882 HZ3 LYS 105 HZ3 LYS 105 -12.950 33.331 15.603 883 H SER 106 H SER 106 -13.054 26.611 19.785 884 HA SER 106 HA SER 106 -15.548 27.616 20.632 885 HB2 SER 106 HB2 SER 106 -16.429 25.433 20.334 886 HB3 SER 106 HB3 SER 106 -15.216 25.694 19.080 887 HG SER 106 HG SER 106 -13.741 24.458 20.383 888 H SER 107 H SER 107 -16.664 27.711 22.514 889 HA SER 107 HA SER 107 -15.325 27.104 24.984 890 HB2 SER 107 HB2 SER 107 -18.146 28.124 24.593 891 HB3 SER 107 HB3 SER 107 -17.191 28.116 26.096 892 HG SER 107 HG SER 107 -17.131 30.138 25.006 893 H LYS 108 H LYS 108 -15.434 24.669 23.920 894 HA LYS 108 HA LYS 108 -17.592 22.996 24.756 895 HB2 LYS 108 HB2 LYS 108 -15.721 22.754 22.903 896 HB3 LYS 108 HB3 LYS 108 -14.706 22.159 24.227 897 HG2 LYS 108 HG2 LYS 108 -16.601 20.540 24.755 898 HG3 LYS 108 HG3 LYS 108 -17.397 21.147 23.287 899 HD2 LYS 108 HD2 LYS 108 -15.487 20.347 21.922 900 HD3 LYS 108 HD3 LYS 108 -14.662 19.782 23.397 901 HE2 LYS 108 HE2 LYS 108 -16.622 18.269 23.854 902 HE3 LYS 108 HE3 LYS 108 -17.357 18.794 22.337 903 HZ1 LYS 108 HZ1 LYS 108 -14.774 17.351 22.593 904 HZ2 LYS 108 HZ2 LYS 108 -16.169 16.723 22.041 905 HZ3 LYS 108 HZ3 LYS 108 -15.405 17.877 21.172 906 H SER 109 H SER 109 -17.399 24.378 26.862 907 HA SER 109 HA SER 109 -16.964 24.650 29.086 908 HB2 SER 109 HB2 SER 109 -16.289 21.690 29.134 909 HB3 SER 109 HB3 SER 109 -16.661 22.708 30.530 910 HG SER 109 HG SER 109 -18.737 22.983 29.772 911 H LEU 110 H LEU 110 -14.973 25.490 27.370 912 HA LEU 110 HA LEU 110 -12.408 24.441 28.082 913 HB2 LEU 110 HB2 LEU 110 -13.056 25.497 25.854 914 HB3 LEU 110 HB3 LEU 110 -13.004 27.071 26.659 915 HG LEU 110 HG LEU 110 -10.579 26.776 27.129 916 HD11 LEU 110 HD11 LEU 110 -10.252 24.415 27.367 917 HD12 LEU 110 HD12 LEU 110 -11.041 24.071 25.805 918 HD13 LEU 110 HD13 LEU 110 -9.458 24.844 25.845 919 HD21 LEU 110 HD21 LEU 110 -11.410 27.746 24.971 920 HD22 LEU 110 HD22 LEU 110 -9.824 26.963 24.838 921 HD23 LEU 110 HD23 LEU 110 -11.282 26.139 24.244 922 H ASP 111 H ASP 111 -10.956 25.151 29.547 923 HA ASP 111 HA ASP 111 -11.763 26.957 31.632 924 HB2 ASP 111 HB2 ASP 111 -9.028 25.773 31.061 925 HB3 ASP 111 HB3 ASP 111 -9.462 26.738 32.476 926 H LEU 112 H LEU 112 -11.274 28.999 31.988 927 HA LEU 112 HA LEU 112 -10.414 30.788 29.931 928 HB2 LEU 112 HB2 LEU 112 -10.808 30.994 32.923 929 HB3 LEU 112 HB3 LEU 112 -9.853 32.232 32.123 930 HG LEU 112 HG LEU 112 -11.684 32.840 30.646 931 HD11 LEU 112 HD11 LEU 112 -12.803 30.703 30.286 932 HD12 LEU 112 HD12 LEU 112 -13.285 30.637 32.001 933 HD13 LEU 112 HD13 LEU 112 -13.957 31.877 30.920 934 HD21 LEU 112 HD21 LEU 112 -13.245 33.728 32.323 935 HD22 LEU 112 HD22 LEU 112 -12.624 32.579 33.531 936 HD23 LEU 112 HD23 LEU 112 -11.576 33.864 32.892 937 H ASN 113 H ASN 113 -8.611 29.293 32.606 938 HA ASN 113 HA ASN 113 -6.230 30.685 32.141 939 HB2 ASN 113 HB2 ASN 113 -6.440 27.787 33.115 940 HB3 ASN 113 HB3 ASN 113 -5.152 28.932 33.490 941 HD21 ASN 113 HD21 ASN 113 -7.077 30.608 36.008 942 HD22 ASN 113 HD22 ASN 113 -5.683 30.755 34.947 943 H THR 114 H THR 114 -7.523 27.832 30.452 944 HA THR 114 HA THR 114 -5.148 27.283 28.854 945 HB THR 114 HB THR 114 -8.042 26.390 28.892 946 HG1 THR 114 HG1 THR 114 -6.865 24.392 29.028 947 HG21 THR 114 HG21 THR 114 -7.598 24.868 27.035 948 HG22 THR 114 HG22 THR 114 -7.604 26.553 26.525 949 HG23 THR 114 HG23 THR 114 -6.049 25.699 26.712 950 H ARG 115 H ARG 115 -8.312 28.857 28.213 951 HA ARG 115 HA ARG 115 -7.924 29.880 25.657 952 HB2 ARG 115 HB2 ARG 115 -9.944 30.115 27.387 953 HB3 ARG 115 HB3 ARG 115 -9.131 31.572 27.910 954 HG2 ARG 115 HG2 ARG 115 -10.629 32.342 26.294 955 HG3 ARG 115 HG3 ARG 115 -9.089 32.310 25.418 956 HD2 ARG 115 HD2 ARG 115 -10.484 29.713 25.384 957 HD3 ARG 115 HD3 ARG 115 -11.540 30.979 24.780 958 HE ARG 115 HE ARG 115 -9.221 29.831 23.451 959 HH11 ARG 115 HH11 ARG 115 -8.504 30.647 21.489 960 HH12 ARG 115 HH12 ARG 115 -9.227 32.093 20.850 961 HH21 ARG 115 HH21 ARG 115 -11.251 32.690 23.514 962 HH22 ARG 115 HH22 ARG 115 -10.725 33.208 21.939 963 H ILE 116 H ILE 116 -7.166 31.501 28.606 964 HA ILE 116 HA ILE 116 -6.002 33.867 27.722 965 HB ILE 116 HB ILE 116 -5.836 32.209 30.205 966 HG12 ILE 116 HG12 ILE 116 -6.658 35.110 29.726 967 HG13 ILE 116 HG13 ILE 116 -7.753 33.749 29.526 968 HG21 ILE 116 HG21 ILE 116 -4.446 33.848 31.398 969 HG22 ILE 116 HG22 ILE 116 -3.594 32.920 30.170 970 HG23 ILE 116 HG23 ILE 116 -4.057 34.622 29.843 971 HD11 ILE 116 HD11 ILE 116 -8.162 34.707 31.686 972 HD12 ILE 116 HD12 ILE 116 -7.401 33.124 31.931 973 HD13 ILE 116 HD13 ILE 116 -6.455 34.617 32.138 974 H SER 117 H SER 117 -4.455 30.766 28.176 975 HA SER 117 HA SER 117 -1.728 31.649 27.934 976 HB2 SER 117 HB2 SER 117 -2.930 28.869 27.586 977 HB3 SER 117 HB3 SER 117 -1.205 29.244 27.712 978 HG SER 117 HG SER 117 -3.231 29.552 29.686 979 H VAL 118 H VAL 118 -4.228 31.240 25.708 980 HA VAL 118 HA VAL 118 -2.448 31.212 23.326 981 HB VAL 118 HB VAL 118 -5.479 31.094 23.382 982 HG11 VAL 118 HG11 VAL 118 -3.431 30.311 21.262 983 HG12 VAL 118 HG12 VAL 118 -5.204 30.327 21.086 984 HG13 VAL 118 HG13 VAL 118 -4.335 31.840 21.292 985 HG21 VAL 118 HG21 VAL 118 -3.638 28.706 23.450 986 HG22 VAL 118 HG22 VAL 118 -4.802 29.242 24.700 987 HG23 VAL 118 HG23 VAL 118 -5.400 28.691 23.150 988 H ILE 119 H ILE 119 -5.481 32.841 24.347 989 HA ILE 119 HA ILE 119 -5.475 34.772 22.479 990 HB ILE 119 HB ILE 119 -7.161 33.844 24.261 991 HG12 ILE 119 HG12 ILE 119 -8.691 35.667 24.038 992 HG13 ILE 119 HG13 ILE 119 -7.402 36.757 23.490 993 HG21 ILE 119 HG21 ILE 119 -6.706 36.371 25.784 994 HG22 ILE 119 HG22 ILE 119 -7.470 34.812 26.247 995 HG23 ILE 119 HG23 ILE 119 -5.692 34.968 26.091 996 HD11 ILE 119 HD11 ILE 119 -8.178 34.210 22.012 997 HD12 ILE 119 HD12 ILE 119 -8.908 35.796 21.671 998 HD13 ILE 119 HD13 ILE 119 -7.175 35.550 21.407 999 H GLU 120 H GLU 120 -3.437 34.976 25.284 1000 HA GLU 120 HA GLU 120 -2.709 37.758 24.633 1001 HB2 GLU 120 HB2 GLU 120 -2.232 35.923 26.965 1002 HB3 GLU 120 HB3 GLU 120 -1.130 37.288 26.672 1003 HG2 GLU 120 HG2 GLU 120 -3.007 38.867 26.622 1004 HG3 GLU 120 HG3 GLU 120 -4.159 37.557 26.907 1005 H THR 121 H THR 121 -1.427 34.486 24.436 1006 HA THR 121 HA THR 121 1.264 35.004 23.715 1007 HB THR 121 HB THR 121 -0.229 32.753 23.973 1008 HG1 THR 121 HG1 THR 121 1.592 31.709 23.287 1009 HG21 THR 121 HG21 THR 121 0.506 32.652 21.020 1010 HG22 THR 121 HG22 THR 121 -0.320 31.425 22.006 1011 HG23 THR 121 HG23 THR 121 -1.162 32.887 21.546 1012 H ILE 122 H ILE 122 -1.627 34.885 21.656 1013 HA ILE 122 HA ILE 122 -0.355 35.527 19.206 1014 HB ILE 122 HB ILE 122 -2.410 34.513 19.162 1015 HG12 ILE 122 HG12 ILE 122 -2.034 36.118 17.309 1016 HG13 ILE 122 HG13 ILE 122 -3.690 35.610 17.627 1017 HG21 ILE 122 HG21 ILE 122 -4.556 35.527 19.929 1018 HG22 ILE 122 HG22 ILE 122 -3.426 34.999 21.164 1019 HG23 ILE 122 HG23 ILE 122 -3.600 36.741 20.812 1020 HD11 ILE 122 HD11 ILE 122 -4.237 37.778 18.664 1021 HD12 ILE 122 HD12 ILE 122 -2.596 38.363 18.303 1022 HD13 ILE 122 HD13 ILE 122 -3.688 37.932 16.990 1023 H ARG 123 H ARG 123 -1.611 37.666 21.752 1024 HA ARG 123 HA ARG 123 -1.210 40.162 20.308 1025 HB2 ARG 123 HB2 ARG 123 -1.327 39.648 23.329 1026 HB3 ARG 123 HB3 ARG 123 -1.428 41.217 22.531 1027 HG2 ARG 123 HG2 ARG 123 -3.531 40.559 21.420 1028 HG3 ARG 123 HG3 ARG 123 -3.397 38.934 22.104 1029 HD2 ARG 123 HD2 ARG 123 -3.393 40.042 24.422 1030 HD3 ARG 123 HD3 ARG 123 -3.881 41.527 23.589 1031 HE ARG 123 HE ARG 123 -5.396 38.939 23.338 1032 HH11 ARG 123 HH11 ARG 123 -5.531 42.337 24.273 1033 HH12 ARG 123 HH12 ARG 123 -7.269 42.296 24.432 1034 HH21 ARG 123 HH21 ARG 123 -7.610 39.026 23.491 1035 HH22 ARG 123 HH22 ARG 123 -8.388 40.496 24.006 1036 H VAL 124 H VAL 124 0.755 38.392 22.695 1037 HA VAL 124 HA VAL 124 2.987 40.136 22.754 1038 HB VAL 124 HB VAL 124 2.656 37.177 23.366 1039 HG11 VAL 124 HG11 VAL 124 5.053 37.501 22.932 1040 HG12 VAL 124 HG12 VAL 124 5.068 38.906 24.024 1041 HG13 VAL 124 HG13 VAL 124 4.747 37.279 24.655 1042 HG21 VAL 124 HG21 VAL 124 1.431 38.795 24.830 1043 HG22 VAL 124 HG22 VAL 124 2.698 37.932 25.695 1044 HG23 VAL 124 HG23 VAL 124 2.964 39.612 25.183 1045 H VAL 125 H VAL 125 2.441 37.281 20.638 1046 HA VAL 125 HA VAL 125 5.049 37.657 19.393 1047 HB VAL 125 HB VAL 125 3.971 35.467 19.944 1048 HG11 VAL 125 HG11 VAL 125 2.480 35.905 17.320 1049 HG12 VAL 125 HG12 VAL 125 2.445 34.453 18.355 1050 HG13 VAL 125 HG13 VAL 125 1.739 35.980 18.917 1051 HG21 VAL 125 HG21 VAL 125 5.975 35.601 18.538 1052 HG22 VAL 125 HG22 VAL 125 4.914 34.277 18.033 1053 HG23 VAL 125 HG23 VAL 125 4.971 35.779 17.085 1054 H THR 126 H THR 126 1.768 38.670 18.498 1055 HA THR 126 HA THR 126 2.650 39.341 15.749 1056 HB THR 126 HB THR 126 0.394 40.253 15.408 1057 HG1 THR 126 HG1 THR 126 -0.258 39.223 17.937 1058 HG21 THR 126 HG21 THR 126 0.595 37.951 14.823 1059 HG22 THR 126 HG22 THR 126 0.436 37.419 16.514 1060 HG23 THR 126 HG23 THR 126 -0.939 38.152 15.663 1061 H GLU 127 H GLU 127 1.519 41.196 18.627 1062 HA GLU 127 HA GLU 127 2.699 43.682 17.511 1063 HB2 GLU 127 HB2 GLU 127 1.122 43.231 20.080 1064 HB3 GLU 127 HB3 GLU 127 1.680 44.778 19.466 1065 HG2 GLU 127 HG2 GLU 127 -0.390 42.950 18.178 1066 HG3 GLU 127 HG3 GLU 127 -0.697 44.462 19.026 1067 H ASN 128 H ASN 128 4.693 42.237 17.572 1068 HA ASN 128 HA ASN 128 5.781 41.483 20.056 1069 HB2 ASN 128 HB2 ASN 128 6.029 40.397 17.763 1070 HB3 ASN 128 HB3 ASN 128 7.312 41.563 17.441 1071 HD21 ASN 128 HD21 ASN 128 7.964 38.776 20.419 1072 HD22 ASN 128 HD22 ASN 128 6.351 39.475 20.283 1073 H LYS 129 H LYS 129 5.447 44.234 20.259 1074 HA LYS 129 HA LYS 129 8.122 45.526 20.389 1075 HB2 LYS 129 HB2 LYS 129 5.323 46.600 20.862 1076 HB3 LYS 129 HB3 LYS 129 6.782 47.547 21.097 1077 HG2 LYS 129 HG2 LYS 129 5.962 46.258 18.463 1078 HG3 LYS 129 HG3 LYS 129 5.644 47.935 18.904 1079 HD2 LYS 129 HD2 LYS 129 8.402 46.684 18.500 1080 HD3 LYS 129 HD3 LYS 129 7.539 47.735 17.374 1081 HE2 LYS 129 HE2 LYS 129 7.565 49.569 19.065 1082 HE3 LYS 129 HE3 LYS 129 8.487 48.531 20.164 1083 HZ1 LYS 129 HZ1 LYS 129 9.938 50.003 18.901 1084 HZ2 LYS 129 HZ2 LYS 129 10.258 48.462 18.496 1085 HZ3 LYS 129 HZ3 LYS 129 9.404 49.413 17.484 1086 H ILE 130 H ILE 130 7.626 43.260 21.866 1087 HA ILE 130 HA ILE 130 6.687 43.375 24.440 1088 HB ILE 130 HB ILE 130 8.167 41.437 24.927 1089 HG12 ILE 130 HG12 ILE 130 9.296 41.852 22.119 1090 HG13 ILE 130 HG13 ILE 130 10.160 42.167 23.619 1091 HG21 ILE 130 HG21 ILE 130 7.099 39.939 23.367 1092 HG22 ILE 130 HG22 ILE 130 5.966 41.227 23.781 1093 HG23 ILE 130 HG23 ILE 130 6.799 41.247 22.213 1094 HD11 ILE 130 HD11 ILE 130 9.222 39.465 22.597 1095 HD12 ILE 130 HD12 ILE 130 10.882 40.042 22.802 1096 HD13 ILE 130 HD13 ILE 130 9.876 39.730 24.230 1097 H PHE 131 H PHE 131 7.573 43.364 26.465 1098 HA PHE 131 HA PHE 131 9.434 45.535 26.979 1099 HB2 PHE 131 HB2 PHE 131 7.139 45.405 27.989 1100 HB3 PHE 131 HB3 PHE 131 7.673 44.022 28.929 1101 HD1 PHE 131 HD1 PHE 131 8.552 44.446 31.108 1102 HD2 PHE 131 HD2 PHE 131 8.561 47.611 28.177 1103 HE1 PHE 131 HE1 PHE 131 9.336 46.047 32.838 1104 HE2 PHE 131 HE2 PHE 131 9.344 49.208 29.910 1105 HZ PHE 131 HZ PHE 131 9.734 48.428 32.242 1106 H VAL 132 H VAL 132 10.509 43.144 25.965 1107 HA VAL 132 HA VAL 132 11.857 41.533 27.883 1108 HB VAL 132 HB VAL 132 11.501 40.903 25.569 1109 HG11 VAL 132 HG11 VAL 132 13.833 42.730 24.827 1110 HG12 VAL 132 HG12 VAL 132 12.915 41.671 23.740 1111 HG13 VAL 132 HG13 VAL 132 12.138 43.088 24.461 1112 HG21 VAL 132 HG21 VAL 132 13.479 39.675 25.170 1113 HG22 VAL 132 HG22 VAL 132 14.456 40.760 26.164 1114 HG23 VAL 132 HG23 VAL 132 13.206 39.730 26.915 1115 H GLU 133 H GLU 133 14.070 41.445 28.222 1116 HA GLU 133 HA GLU 133 14.806 43.834 29.543 1117 HB2 GLU 133 HB2 GLU 133 16.434 41.274 29.252 1118 HB3 GLU 133 HB3 GLU 133 16.790 42.594 30.376 1119 HG2 GLU 133 HG2 GLU 133 14.519 42.263 31.412 1120 HG3 GLU 133 HG3 GLU 133 14.300 40.832 30.402 1121 H VAL 134 H VAL 134 16.392 45.266 29.327 1122 HA VAL 134 HA VAL 134 18.425 45.283 27.254 1123 HB VAL 134 HB VAL 134 16.383 46.114 26.197 1124 HG11 VAL 134 HG11 VAL 134 15.236 47.175 28.120 1125 HG12 VAL 134 HG12 VAL 134 16.429 48.496 28.091 1126 HG13 VAL 134 HG13 VAL 134 15.372 48.218 26.707 1127 HG21 VAL 134 HG21 VAL 134 18.648 46.900 25.507 1128 HG22 VAL 134 HG22 VAL 134 17.298 47.956 25.087 1129 HG23 VAL 134 HG23 VAL 134 18.358 48.400 26.420 1130 H GLU 135 H GLU 135 18.364 48.098 28.102 1131 HA GLU 135 HA GLU 135 20.312 48.013 30.264 1132 HB2 GLU 135 HB2 GLU 135 19.114 50.403 28.810 1133 HB3 GLU 135 HB3 GLU 135 20.454 50.487 29.949 1134 HG2 GLU 135 HG2 GLU 135 20.457 49.080 27.253 1135 HG3 GLU 135 HG3 GLU 135 21.258 50.586 27.663 1136 H ARG 136 H ARG 136 18.150 46.912 31.331 1137 HA ARG 136 HA ARG 136 17.128 48.834 33.381 1138 HB2 ARG 136 HB2 ARG 136 15.441 46.860 31.773 1139 HB3 ARG 136 HB3 ARG 136 14.881 47.715 33.203 1140 HG2 ARG 136 HG2 ARG 136 15.715 49.044 30.586 1141 HG3 ARG 136 HG3 ARG 136 14.061 48.710 31.115 1142 HD2 ARG 136 HD2 ARG 136 14.394 50.169 33.101 1143 HD3 ARG 136 HD3 ARG 136 16.024 50.558 32.523 1144 HE ARG 136 HE ARG 136 14.137 51.120 30.448 1145 HH11 ARG 136 HH11 ARG 136 13.538 53.173 29.948 1146 HH12 ARG 136 HH12 ARG 136 13.751 54.457 31.115 1147 HH21 ARG 136 HH21 ARG 136 15.118 52.478 33.538 1148 HH22 ARG 136 HH22 ARG 136 14.619 54.083 33.057 Start of MODEL 3 1 H1 MET 1 H1 MET 1 17.963 7.151 -26.555 2 H2 MET 1 H2 MET 1 18.761 7.606 -25.196 3 H3 MET 1 H3 MET 1 17.854 6.248 -25.191 4 HA MET 1 HA MET 1 16.872 9.007 -25.434 5 HB2 MET 1 HB2 MET 1 15.315 6.379 -25.556 6 HB3 MET 1 HB3 MET 1 14.580 7.955 -25.261 7 HG2 MET 1 HG2 MET 1 14.278 7.469 -27.551 8 HG3 MET 1 HG3 MET 1 15.458 8.769 -27.449 9 HE1 MET 1 HE1 MET 1 14.805 7.083 -30.077 10 HE2 MET 1 HE2 MET 1 15.991 8.406 -30.020 11 HE3 MET 1 HE3 MET 1 16.438 6.835 -30.729 12 H SER 2 H SER 2 15.579 9.714 -23.606 13 HA SER 2 HA SER 2 15.563 8.147 -21.145 14 HB2 SER 2 HB2 SER 2 17.869 9.141 -21.180 15 HB3 SER 2 HB3 SER 2 17.133 10.754 -21.212 16 HG SER 2 HG SER 2 17.689 10.015 -19.094 17 H ARG 3 H ARG 3 14.572 9.517 -19.342 18 HA ARG 3 HA ARG 3 12.001 10.545 -20.271 19 HB2 ARG 3 HB2 ARG 3 13.245 10.603 -17.481 20 HB3 ARG 3 HB3 ARG 3 11.553 10.908 -17.857 21 HG2 ARG 3 HG2 ARG 3 13.010 8.246 -18.189 22 HG3 ARG 3 HG3 ARG 3 11.865 8.677 -16.921 23 HD2 ARG 3 HD2 ARG 3 10.077 8.959 -18.632 24 HD3 ARG 3 HD3 ARG 3 11.226 8.456 -19.893 25 HE ARG 3 HE ARG 3 11.224 6.445 -17.905 26 HH11 ARG 3 HH11 ARG 3 8.926 7.676 -20.263 27 HH12 ARG 3 HH12 ARG 3 8.098 6.139 -20.362 28 HH21 ARG 3 HH21 ARG 3 10.131 4.543 -18.108 29 HH22 ARG 3 HH22 ARG 3 8.763 4.431 -19.189 30 H ASP 4 H ASP 4 11.132 12.569 -20.135 31 HA ASP 4 HA ASP 4 13.006 14.872 -19.779 32 HB2 ASP 4 HB2 ASP 4 12.030 15.894 -21.756 33 HB3 ASP 4 HB3 ASP 4 12.742 14.340 -22.140 34 H ALA 5 H ALA 5 10.381 13.601 -18.317 35 HA ALA 5 HA ALA 5 8.784 15.985 -17.923 36 HB1 ALA 5 HB1 ALA 5 7.865 13.744 -17.551 37 HB2 ALA 5 HB2 ALA 5 9.045 13.445 -16.256 38 HB3 ALA 5 HB3 ALA 5 7.805 14.703 -16.057 39 HA PRO 6 HA PRO 6 11.853 17.895 -15.288 40 HB2 PRO 6 HB2 PRO 6 10.478 20.059 -14.332 41 HB3 PRO 6 HB3 PRO 6 10.990 19.912 -16.044 42 HG2 PRO 6 HG2 PRO 6 8.270 19.276 -14.853 43 HG3 PRO 6 HG3 PRO 6 8.643 20.223 -16.328 44 HD2 PRO 6 HD2 PRO 6 7.945 17.566 -16.368 45 HD3 PRO 6 HD3 PRO 6 9.075 18.280 -17.566 46 H ILE 7 H ILE 7 12.533 17.534 -13.224 47 HA ILE 7 HA ILE 7 10.761 16.207 -11.372 48 HB ILE 7 HB ILE 7 13.695 16.878 -10.936 49 HG12 ILE 7 HG12 ILE 7 13.682 14.206 -11.532 50 HG13 ILE 7 HG13 ILE 7 12.386 14.728 -12.593 51 HG21 ILE 7 HG21 ILE 7 13.613 15.001 -9.352 52 HG22 ILE 7 HG22 ILE 7 12.430 16.217 -8.890 53 HG23 ILE 7 HG23 ILE 7 11.892 14.740 -9.710 54 HD11 ILE 7 HD11 ILE 7 13.979 16.376 -13.643 55 HD12 ILE 7 HD12 ILE 7 15.244 15.830 -12.518 56 HD13 ILE 7 HD13 ILE 7 14.584 14.712 -13.726 57 H LYS 8 H LYS 8 9.373 18.144 -11.281 58 HA LYS 8 HA LYS 8 10.172 20.600 -10.044 59 HB2 LYS 8 HB2 LYS 8 7.414 19.318 -10.323 60 HB3 LYS 8 HB3 LYS 8 7.698 20.979 -9.790 61 HG2 LYS 8 HG2 LYS 8 8.824 21.496 -11.943 62 HG3 LYS 8 HG3 LYS 8 8.456 19.870 -12.523 63 HD2 LYS 8 HD2 LYS 8 6.375 21.920 -11.642 64 HD3 LYS 8 HD3 LYS 8 6.856 21.624 -13.317 65 HE2 LYS 8 HE2 LYS 8 6.089 19.251 -13.100 66 HE3 LYS 8 HE3 LYS 8 5.548 19.589 -11.449 67 HZ1 LYS 8 HZ1 LYS 8 4.010 21.233 -12.358 68 HZ2 LYS 8 HZ2 LYS 8 4.506 20.923 -13.883 69 HZ3 LYS 8 HZ3 LYS 8 3.733 19.777 -13.027 70 H ALA 9 H ALA 9 8.823 17.700 -8.579 71 HA ALA 9 HA ALA 9 7.980 17.198 -6.547 72 HB1 ALA 9 HB1 ALA 9 10.376 18.733 -5.533 73 HB2 ALA 9 HB2 ALA 9 9.363 17.563 -4.645 74 HB3 ALA 9 HB3 ALA 9 10.334 17.019 -6.035 75 H ASP 10 H ASP 10 6.198 18.438 -7.107 76 HA ASP 10 HA ASP 10 5.641 21.133 -6.549 77 HB2 ASP 10 HB2 ASP 10 4.389 19.519 -8.023 78 HB3 ASP 10 HB3 ASP 10 3.747 18.755 -6.555 79 H LYS 11 H LYS 11 5.688 18.470 -4.345 80 HA LYS 11 HA LYS 11 5.266 20.291 -2.131 81 HB2 LYS 11 HB2 LYS 11 3.611 19.072 -0.916 82 HB3 LYS 11 HB3 LYS 11 3.008 19.587 -2.480 83 HG2 LYS 11 HG2 LYS 11 3.416 17.188 -3.290 84 HG3 LYS 11 HG3 LYS 11 3.666 16.746 -1.593 85 HD2 LYS 11 HD2 LYS 11 1.151 17.979 -2.799 86 HD3 LYS 11 HD3 LYS 11 1.373 16.319 -2.278 87 HE2 LYS 11 HE2 LYS 11 0.497 16.948 -0.270 88 HE3 LYS 11 HE3 LYS 11 2.062 17.676 0.042 89 HZ1 LYS 11 HZ1 LYS 11 0.295 19.316 0.391 90 HZ2 LYS 11 HZ2 LYS 11 1.098 19.792 -0.936 91 HZ3 LYS 11 HZ3 LYS 11 -0.339 19.055 -1.084 92 H ASP 12 H ASP 12 7.600 19.650 -2.729 93 HA ASP 12 HA ASP 12 8.803 17.418 -1.499 94 HB2 ASP 12 HB2 ASP 12 9.868 19.245 -2.951 95 HB3 ASP 12 HB3 ASP 12 9.969 20.225 -1.491 96 H TYR 13 H TYR 13 9.835 17.172 0.532 97 HA TYR 13 HA TYR 13 9.640 16.759 2.730 98 HB2 TYR 13 HB2 TYR 13 8.783 19.624 3.159 99 HB3 TYR 13 HB3 TYR 13 9.437 18.512 4.338 100 HD1 TYR 13 HD1 TYR 13 10.222 20.878 1.673 101 HD2 TYR 13 HD2 TYR 13 11.840 17.787 4.198 102 HE1 TYR 13 HE1 TYR 13 12.523 21.712 1.208 103 HE2 TYR 13 HE2 TYR 13 14.148 18.619 3.736 104 HH TYR 13 HH TYR 13 14.743 21.432 1.605 105 H SER 14 H SER 14 6.798 18.833 2.081 106 HA SER 14 HA SER 14 4.939 17.660 3.797 107 HB2 SER 14 HB2 SER 14 4.548 18.816 1.019 108 HB3 SER 14 HB3 SER 14 3.249 18.590 2.212 109 HG SER 14 HG SER 14 4.300 20.743 2.131 110 H GLN 15 H GLN 15 6.289 16.203 1.063 111 HA GLN 15 HA GLN 15 4.192 14.406 0.277 112 HB2 GLN 15 HB2 GLN 15 6.015 13.162 -0.865 113 HB3 GLN 15 HB3 GLN 15 5.906 14.875 -1.285 114 HG2 GLN 15 HG2 GLN 15 7.834 15.414 0.071 115 HG3 GLN 15 HG3 GLN 15 7.881 13.785 0.772 116 HE21 GLN 15 HE21 GLN 15 8.973 13.918 -3.211 117 HE22 GLN 15 HE22 GLN 15 7.516 14.772 -2.726 118 H ILE 16 H ILE 16 6.464 14.374 2.960 119 HA ILE 16 HA ILE 16 6.268 11.643 3.783 120 HB ILE 16 HB ILE 16 6.353 14.203 5.456 121 HG12 ILE 16 HG12 ILE 16 8.719 12.419 4.876 122 HG13 ILE 16 HG13 ILE 16 8.240 13.700 3.764 123 HG21 ILE 16 HG21 ILE 16 5.587 12.395 6.887 124 HG22 ILE 16 HG22 ILE 16 6.791 11.285 6.220 125 HG23 ILE 16 HG23 ILE 16 7.300 12.651 7.237 126 HD11 ILE 16 HD11 ILE 16 9.001 14.157 6.662 127 HD12 ILE 16 HD12 ILE 16 9.940 14.576 5.211 128 HD13 ILE 16 HD13 ILE 16 8.407 15.394 5.528 129 H LEU 17 H LEU 17 4.322 14.505 4.513 130 HA LEU 17 HA LEU 17 2.400 13.252 6.206 131 HB2 LEU 17 HB2 LEU 17 2.111 15.695 4.461 132 HB3 LEU 17 HB3 LEU 17 1.261 15.355 5.981 133 HG LEU 17 HG LEU 17 4.213 16.063 5.668 134 HD11 LEU 17 HD11 LEU 17 2.884 17.915 5.107 135 HD12 LEU 17 HD12 LEU 17 1.759 17.647 6.460 136 HD13 LEU 17 HD13 LEU 17 3.428 18.146 6.774 137 HD21 LEU 17 HD21 LEU 17 4.124 14.810 7.647 138 HD22 LEU 17 HD22 LEU 17 4.043 16.470 8.196 139 HD23 LEU 17 HD23 LEU 17 2.559 15.496 8.162 140 H LYS 18 H LYS 18 2.600 13.669 2.682 141 HA LYS 18 HA LYS 18 -0.060 12.759 2.080 142 HB2 LYS 18 HB2 LYS 18 2.488 13.042 0.475 143 HB3 LYS 18 HB3 LYS 18 1.085 12.291 -0.241 144 HG2 LYS 18 HG2 LYS 18 0.818 15.030 1.023 145 HG3 LYS 18 HG3 LYS 18 1.598 14.838 -0.543 146 HD2 LYS 18 HD2 LYS 18 -0.717 15.366 -0.956 147 HD3 LYS 18 HD3 LYS 18 -0.447 13.695 -1.435 148 HE2 LYS 18 HE2 LYS 18 -1.508 12.906 0.664 149 HE3 LYS 18 HE3 LYS 18 -1.694 14.586 1.215 150 HZ1 LYS 18 HZ1 LYS 18 -3.190 14.957 -0.664 151 HZ2 LYS 18 HZ2 LYS 18 -2.994 13.427 -1.195 152 HZ3 LYS 18 HZ3 LYS 18 -3.736 13.712 0.222 153 H GLU 19 H GLU 19 3.054 11.077 2.501 154 HA GLU 19 HA GLU 19 1.900 8.597 1.478 155 HB2 GLU 19 HB2 GLU 19 3.994 7.867 1.101 156 HB3 GLU 19 HB3 GLU 19 4.254 9.610 1.002 157 HG2 GLU 19 HG2 GLU 19 4.997 9.533 3.428 158 HG3 GLU 19 HG3 GLU 19 4.870 7.776 3.371 159 H GLU 20 H GLU 20 2.937 9.869 4.618 160 HA GLU 20 HA GLU 20 2.577 7.336 6.021 161 HB2 GLU 20 HB2 GLU 20 2.971 10.209 6.936 162 HB3 GLU 20 HB3 GLU 20 2.754 8.878 8.061 163 HG2 GLU 20 HG2 GLU 20 4.888 8.887 5.897 164 HG3 GLU 20 HG3 GLU 20 5.165 9.528 7.522 165 H PHE 21 H PHE 21 0.482 10.121 5.331 166 HA PHE 21 HA PHE 21 -1.515 9.804 7.220 167 HB2 PHE 21 HB2 PHE 21 -1.705 11.603 5.749 168 HB3 PHE 21 HB3 PHE 21 -1.677 10.579 4.313 169 HD1 PHE 21 HD1 PHE 21 -3.741 10.866 7.479 170 HD2 PHE 21 HD2 PHE 21 -3.729 10.395 3.190 171 HE1 PHE 21 HE1 PHE 21 -6.222 10.852 7.470 172 HE2 PHE 21 HE2 PHE 21 -6.207 10.374 3.187 173 HZ PHE 21 HZ PHE 21 -7.461 10.606 5.328 174 HA PRO 22 HA PRO 22 -3.782 6.223 4.895 175 HB2 PRO 22 HB2 PRO 22 -1.987 4.595 3.467 176 HB3 PRO 22 HB3 PRO 22 -3.259 5.666 2.771 177 HG2 PRO 22 HG2 PRO 22 -0.307 6.102 3.110 178 HG3 PRO 22 HG3 PRO 22 -1.362 6.665 1.776 179 HD2 PRO 22 HD2 PRO 22 -0.556 8.362 3.714 180 HD3 PRO 22 HD3 PRO 22 -2.211 8.453 3.066 181 H LYS 23 H LYS 23 -0.280 5.825 5.701 182 HA LYS 23 HA LYS 23 -0.511 3.229 6.846 183 HB2 LYS 23 HB2 LYS 23 1.473 5.325 7.747 184 HB3 LYS 23 HB3 LYS 23 1.633 3.574 7.834 185 HG2 LYS 23 HG2 LYS 23 1.503 5.221 5.292 186 HG3 LYS 23 HG3 LYS 23 2.974 4.577 6.022 187 HD2 LYS 23 HD2 LYS 23 2.258 2.286 5.565 188 HD3 LYS 23 HD3 LYS 23 0.689 2.860 4.949 189 HE2 LYS 23 HE2 LYS 23 1.826 4.147 3.171 190 HE3 LYS 23 HE3 LYS 23 3.401 3.601 3.766 191 HZ1 LYS 23 HZ1 LYS 23 1.290 1.820 2.685 192 HZ2 LYS 23 HZ2 LYS 23 2.656 2.244 1.912 193 HZ3 LYS 23 HZ3 LYS 23 2.736 1.318 3.246 194 H ILE 24 H ILE 24 -1.183 6.398 8.228 195 HA ILE 24 HA ILE 24 -1.802 5.239 10.882 196 HB ILE 24 HB ILE 24 -1.597 7.175 11.790 197 HG12 ILE 24 HG12 ILE 24 -2.153 9.400 10.061 198 HG13 ILE 24 HG13 ILE 24 -3.482 8.335 9.829 199 HG21 ILE 24 HG21 ILE 24 0.409 7.037 10.257 200 HG22 ILE 24 HG22 ILE 24 -0.477 8.139 9.166 201 HG23 ILE 24 HG23 ILE 24 0.013 8.690 10.776 202 HD11 ILE 24 HD11 ILE 24 -3.925 9.849 11.689 203 HD12 ILE 24 HD12 ILE 24 -3.753 8.190 12.311 204 HD13 ILE 24 HD13 ILE 24 -2.413 9.360 12.488 205 H ASP 25 H ASP 25 -3.523 6.163 8.019 206 HA ASP 25 HA ASP 25 -5.973 6.934 9.172 207 HB2 ASP 25 HB2 ASP 25 -5.207 7.325 6.873 208 HB3 ASP 25 HB3 ASP 25 -5.377 5.607 6.500 209 H SER 26 H SER 26 -4.769 3.719 8.313 210 HA SER 26 HA SER 26 -6.994 2.080 8.979 211 HB2 SER 26 HB2 SER 26 -4.009 1.666 9.389 212 HB3 SER 26 HB3 SER 26 -5.220 0.367 9.403 213 HG SER 26 HG SER 26 -5.667 0.808 7.240 214 H LEU 27 H LEU 27 -4.792 3.871 11.129 215 HA LEU 27 HA LEU 27 -5.648 2.375 13.502 216 HB2 LEU 27 HB2 LEU 27 -3.347 2.667 13.473 217 HB3 LEU 27 HB3 LEU 27 -3.436 4.243 12.723 218 HG LEU 27 HG LEU 27 -4.272 5.229 14.811 219 HD11 LEU 27 HD11 LEU 27 -3.473 2.551 16.053 220 HD12 LEU 27 HD12 LEU 27 -4.007 4.002 16.934 221 HD13 LEU 27 HD13 LEU 27 -5.141 3.130 15.889 222 HD21 LEU 27 HD21 LEU 27 -1.907 5.346 14.151 223 HD22 LEU 27 HD22 LEU 27 -2.024 5.171 15.905 224 HD23 LEU 27 HD23 LEU 27 -1.590 3.771 14.914 225 H ALA 28 H ALA 28 -5.711 5.760 12.272 226 HA ALA 28 HA ALA 28 -7.347 6.801 14.321 227 HB1 ALA 28 HB1 ALA 28 -6.075 8.200 12.672 228 HB2 ALA 28 HB2 ALA 28 -7.199 7.689 11.397 229 HB3 ALA 28 HB3 ALA 28 -7.769 8.678 12.754 230 H GLN 29 H GLN 29 -8.377 5.101 11.362 231 HA GLN 29 HA GLN 29 -11.181 5.590 11.878 232 HB2 GLN 29 HB2 GLN 29 -9.765 3.687 9.984 233 HB3 GLN 29 HB3 GLN 29 -11.515 3.881 10.042 234 HG2 GLN 29 HG2 GLN 29 -9.574 6.167 9.465 235 HG3 GLN 29 HG3 GLN 29 -10.424 5.227 8.241 236 HE21 GLN 29 HE21 GLN 29 -13.603 6.817 8.897 237 HE22 GLN 29 HE22 GLN 29 -12.891 5.321 8.304 238 H ASN 30 H ASN 30 -9.164 3.653 13.649 239 HA ASN 30 HA ASN 30 -11.354 1.801 14.399 240 HB2 ASN 30 HB2 ASN 30 -8.437 1.222 13.841 241 HB3 ASN 30 HB3 ASN 30 -9.408 0.144 14.834 242 HD21 ASN 30 HD21 ASN 30 -9.740 -0.318 10.907 243 HD22 ASN 30 HD22 ASN 30 -8.448 0.630 11.651 244 H ASP 31 H ASP 31 -8.553 3.629 15.603 245 HA ASP 31 HA ASP 31 -9.622 3.267 18.384 246 HB2 ASP 31 HB2 ASP 31 -7.922 1.509 17.857 247 HB3 ASP 31 HB3 ASP 31 -6.738 2.780 17.558 248 H CYS 32 H CYS 32 -7.452 5.084 16.278 249 HA CYS 32 HA CYS 32 -6.636 7.140 16.235 250 HB2 CYS 32 HB2 CYS 32 -8.189 8.841 16.307 251 HB3 CYS 32 HB3 CYS 32 -9.188 7.392 16.090 252 HG CYS 32 HG CYS 32 -9.693 7.105 18.694 253 H ASN 33 H ASN 33 -6.779 6.019 19.502 254 HA ASN 33 HA ASN 33 -5.867 8.380 20.804 255 HB2 ASN 33 HB2 ASN 33 -5.298 5.450 21.476 256 HB3 ASN 33 HB3 ASN 33 -4.980 6.813 22.538 257 HD21 ASN 33 HD21 ASN 33 -8.704 5.291 22.382 258 HD22 ASN 33 HD22 ASN 33 -7.383 4.605 21.422 259 H SER 34 H SER 34 -3.978 5.719 19.367 260 HA SER 34 HA SER 34 -1.434 7.132 19.634 261 HB2 SER 34 HB2 SER 34 -2.142 4.578 18.160 262 HB3 SER 34 HB3 SER 34 -0.498 5.181 18.477 263 HG SER 34 HG SER 34 -1.136 3.664 20.034 264 H ALA 35 H ALA 35 -3.925 7.373 17.240 265 HA ALA 35 HA ALA 35 -2.310 7.692 14.877 266 HB1 ALA 35 HB1 ALA 35 -4.633 7.357 14.494 267 HB2 ALA 35 HB2 ALA 35 -5.091 8.586 15.718 268 HB3 ALA 35 HB3 ALA 35 -4.422 9.093 14.197 269 H LEU 36 H LEU 36 -3.289 10.032 17.400 270 HA LEU 36 HA LEU 36 -2.163 12.256 16.022 271 HB2 LEU 36 HB2 LEU 36 -2.716 13.501 17.994 272 HB3 LEU 36 HB3 LEU 36 -3.904 12.236 17.885 273 HG LEU 36 HG LEU 36 -2.206 10.961 19.544 274 HD11 LEU 36 HD11 LEU 36 -1.306 12.539 21.194 275 HD12 LEU 36 HD12 LEU 36 -0.580 12.875 19.622 276 HD13 LEU 36 HD13 LEU 36 -1.874 13.921 20.236 277 HD21 LEU 36 HD21 LEU 36 -4.572 11.370 19.967 278 HD22 LEU 36 HD22 LEU 36 -3.624 11.807 21.393 279 HD23 LEU 36 HD23 LEU 36 -4.253 13.081 20.307 280 H ASP 37 H ASP 37 -0.779 9.848 18.149 281 HA ASP 37 HA ASP 37 1.884 11.016 18.293 282 HB2 ASP 37 HB2 ASP 37 0.868 8.225 18.905 283 HB3 ASP 37 HB3 ASP 37 2.502 8.785 19.225 284 H GLN 38 H GLN 38 0.330 10.061 15.636 285 HA GLN 38 HA GLN 38 2.861 9.244 14.360 286 HB2 GLN 38 HB2 GLN 38 0.064 8.758 13.311 287 HB3 GLN 38 HB3 GLN 38 1.569 8.332 12.492 288 HG2 GLN 38 HG2 GLN 38 0.816 7.244 15.224 289 HG3 GLN 38 HG3 GLN 38 0.353 6.459 13.720 290 HE21 GLN 38 HE21 GLN 38 4.279 6.244 14.955 291 HE22 GLN 38 HE22 GLN 38 3.235 7.484 15.661 292 H LEU 39 H LEU 39 -0.139 11.094 13.368 293 HA LEU 39 HA LEU 39 1.466 12.504 11.454 294 HB2 LEU 39 HB2 LEU 39 -1.258 13.292 12.575 295 HB3 LEU 39 HB3 LEU 39 -0.498 13.978 11.140 296 HG LEU 39 HG LEU 39 -1.431 11.140 11.578 297 HD11 LEU 39 HD11 LEU 39 -2.918 11.630 9.621 298 HD12 LEU 39 HD12 LEU 39 -3.240 12.689 10.981 299 HD13 LEU 39 HD13 LEU 39 -2.304 13.294 9.590 300 HD21 LEU 39 HD21 LEU 39 0.592 10.969 10.181 301 HD22 LEU 39 HD22 LEU 39 -0.772 10.835 9.085 302 HD23 LEU 39 HD23 LEU 39 0.094 12.371 9.205 303 H LEU 40 H LEU 40 0.588 13.551 14.829 304 HA LEU 40 HA LEU 40 1.826 16.160 14.189 305 HB2 LEU 40 HB2 LEU 40 0.866 15.327 16.907 306 HB3 LEU 40 HB3 LEU 40 1.247 16.921 16.314 307 HG LEU 40 HG LEU 40 -1.000 17.169 16.158 308 HD11 LEU 40 HD11 LEU 40 -1.013 15.479 13.659 309 HD12 LEU 40 HD12 LEU 40 -2.016 16.862 14.093 310 HD13 LEU 40 HD13 LEU 40 -0.301 17.095 13.711 311 HD21 LEU 40 HD21 LEU 40 -1.311 15.028 17.289 312 HD22 LEU 40 HD22 LEU 40 -2.593 15.414 16.142 313 HD23 LEU 40 HD23 LEU 40 -1.338 14.223 15.707 314 H VAL 41 H VAL 41 2.996 13.115 15.093 315 HA VAL 41 HA VAL 41 5.467 14.028 16.327 316 HB VAL 41 HB VAL 41 4.596 11.421 15.073 317 HG11 VAL 41 HG11 VAL 41 7.314 12.058 16.304 318 HG12 VAL 41 HG12 VAL 41 6.699 10.417 15.973 319 HG13 VAL 41 HG13 VAL 41 7.003 11.526 14.637 320 HG21 VAL 41 HG21 VAL 41 5.341 12.306 17.917 321 HG22 VAL 41 HG22 VAL 41 3.703 11.990 17.322 322 HG23 VAL 41 HG23 VAL 41 4.867 10.662 17.462 323 H LEU 42 H LEU 42 4.264 13.539 13.025 324 HA LEU 42 HA LEU 42 6.735 14.077 11.687 325 HB2 LEU 42 HB2 LEU 42 3.958 14.858 10.800 326 HB3 LEU 42 HB3 LEU 42 5.374 14.713 9.783 327 HG LEU 42 HG LEU 42 4.102 12.372 11.269 328 HD11 LEU 42 HD11 LEU 42 2.665 13.333 9.413 329 HD12 LEU 42 HD12 LEU 42 3.945 12.827 8.291 330 HD13 LEU 42 HD13 LEU 42 3.120 11.620 9.274 331 HD21 LEU 42 HD21 LEU 42 6.353 12.598 9.252 332 HD22 LEU 42 HD22 LEU 42 6.422 11.924 10.890 333 HD23 LEU 42 HD23 LEU 42 5.536 11.055 9.625 334 H GLU 43 H GLU 43 4.067 16.346 12.603 335 HA GLU 43 HA GLU 43 5.310 18.815 12.021 336 HB2 GLU 43 HB2 GLU 43 3.127 18.930 12.786 337 HB3 GLU 43 HB3 GLU 43 3.398 17.920 14.170 338 HG2 GLU 43 HG2 GLU 43 4.729 20.641 13.978 339 HG3 GLU 43 HG3 GLU 43 3.044 20.563 14.372 340 H LYS 44 H LYS 44 5.808 16.810 14.903 341 HA LYS 44 HA LYS 44 7.641 18.553 16.246 342 HB2 LYS 44 HB2 LYS 44 6.332 16.694 17.270 343 HB3 LYS 44 HB3 LYS 44 7.343 15.522 16.438 344 HG2 LYS 44 HG2 LYS 44 9.335 16.325 17.663 345 HG3 LYS 44 HG3 LYS 44 8.360 17.577 18.458 346 HD2 LYS 44 HD2 LYS 44 6.950 15.826 19.501 347 HD3 LYS 44 HD3 LYS 44 7.915 14.558 18.733 348 HE2 LYS 44 HE2 LYS 44 9.016 16.642 20.681 349 HE3 LYS 44 HE3 LYS 44 8.440 15.046 21.162 350 HZ1 LYS 44 HZ1 LYS 44 10.710 15.509 19.315 351 HZ2 LYS 44 HZ2 LYS 44 10.823 15.036 20.863 352 HZ3 LYS 44 HZ3 LYS 44 10.148 14.045 19.772 353 H LYS 45 H LYS 45 8.327 15.633 14.308 354 HA LYS 45 HA LYS 45 11.185 15.861 14.328 355 HB2 LYS 45 HB2 LYS 45 9.879 13.819 13.724 356 HB3 LYS 45 HB3 LYS 45 9.320 14.614 12.244 357 HG2 LYS 45 HG2 LYS 45 11.688 14.795 11.465 358 HG3 LYS 45 HG3 LYS 45 12.234 13.971 12.926 359 HD2 LYS 45 HD2 LYS 45 10.352 12.821 10.816 360 HD3 LYS 45 HD3 LYS 45 12.076 12.495 10.898 361 HE2 LYS 45 HE2 LYS 45 10.073 11.759 13.091 362 HE3 LYS 45 HE3 LYS 45 10.603 10.671 11.812 363 HZ1 LYS 45 HZ1 LYS 45 12.873 10.873 12.639 364 HZ2 LYS 45 HZ2 LYS 45 12.407 11.868 13.845 365 HZ3 LYS 45 HZ3 LYS 45 11.891 10.325 13.812 366 H THR 46 H THR 46 8.801 17.080 11.992 367 HA THR 46 HA THR 46 10.657 18.197 10.121 368 HB THR 46 HB THR 46 8.726 19.414 9.238 369 HG1 THR 46 HG1 THR 46 7.282 18.008 11.189 370 HG21 THR 46 HG21 THR 46 8.401 16.437 9.855 371 HG22 THR 46 HG22 THR 46 7.319 17.378 8.811 372 HG23 THR 46 HG23 THR 46 9.058 17.211 8.415 373 H ARG 47 H ARG 47 8.964 19.790 12.893 374 HA ARG 47 HA ARG 47 10.236 22.352 12.469 375 HB2 ARG 47 HB2 ARG 47 8.371 22.306 14.050 376 HB3 ARG 47 HB3 ARG 47 9.135 21.041 15.006 377 HG2 ARG 47 HG2 ARG 47 9.245 23.191 16.135 378 HG3 ARG 47 HG3 ARG 47 10.864 22.607 15.768 379 HD2 ARG 47 HD2 ARG 47 10.797 24.126 13.680 380 HD3 ARG 47 HD3 ARG 47 9.293 24.777 14.325 381 HE ARG 47 HE ARG 47 10.480 25.868 16.037 382 HH11 ARG 47 HH11 ARG 47 12.828 23.842 14.280 383 HH12 ARG 47 HH12 ARG 47 14.148 24.708 15.015 384 HH21 ARG 47 HH21 ARG 47 12.262 26.839 16.867 385 HH22 ARG 47 HH22 ARG 47 13.848 26.271 16.432 386 H GLN 48 H GLN 48 11.305 19.514 14.394 387 HA GLN 48 HA GLN 48 13.641 20.878 15.339 388 HB2 GLN 48 HB2 GLN 48 12.819 17.958 15.389 389 HB3 GLN 48 HB3 GLN 48 14.269 18.569 16.183 390 HG2 GLN 48 HG2 GLN 48 11.436 19.537 16.766 391 HG3 GLN 48 HG3 GLN 48 12.317 18.360 17.731 392 HE21 GLN 48 HE21 GLN 48 12.608 21.780 19.295 393 HE22 GLN 48 HE22 GLN 48 11.237 20.801 18.797 394 H ALA 49 H ALA 49 13.181 18.633 12.626 395 HA ALA 49 HA ALA 49 15.964 18.356 11.991 396 HB1 ALA 49 HB1 ALA 49 13.402 17.685 10.474 397 HB2 ALA 49 HB2 ALA 49 15.029 17.065 10.093 398 HB3 ALA 49 HB3 ALA 49 14.247 16.617 11.618 399 H SER 50 H SER 50 13.889 20.960 11.415 400 HA SER 50 HA SER 50 13.718 22.647 9.983 401 HB2 SER 50 HB2 SER 50 16.110 22.990 10.497 402 HB3 SER 50 HB3 SER 50 16.537 22.076 9.037 403 HG SER 50 HG SER 50 15.346 23.595 7.834 404 H ASP 51 H ASP 51 12.856 20.047 9.210 405 HA ASP 51 HA ASP 51 12.646 20.177 6.228 406 HB2 ASP 51 HB2 ASP 51 11.658 18.152 8.267 407 HB3 ASP 51 HB3 ASP 51 11.326 18.061 6.545 408 H LEU 52 H LEU 52 11.568 21.924 8.479 409 HA LEU 52 HA LEU 52 8.989 21.834 9.126 410 HB2 LEU 52 HB2 LEU 52 9.188 24.048 9.762 411 HB3 LEU 52 HB3 LEU 52 10.742 23.234 9.978 412 HG LEU 52 HG LEU 52 11.076 24.309 7.457 413 HD11 LEU 52 HD11 LEU 52 10.197 26.562 7.430 414 HD12 LEU 52 HD12 LEU 52 8.849 25.420 7.667 415 HD13 LEU 52 HD13 LEU 52 9.465 26.343 9.043 416 HD21 LEU 52 HD21 LEU 52 12.392 26.082 8.584 417 HD22 LEU 52 HD22 LEU 52 11.625 25.643 10.130 418 HD23 LEU 52 HD23 LEU 52 12.660 24.477 9.288 419 H ALA 53 H ALA 53 9.937 22.786 5.983 420 HA ALA 53 HA ALA 53 7.625 24.145 5.033 421 HB1 ALA 53 HB1 ALA 53 8.228 23.164 2.836 422 HB2 ALA 53 HB2 ALA 53 9.659 23.785 3.689 423 HB3 ALA 53 HB3 ALA 53 9.326 22.033 3.653 424 H SER 54 H SER 54 8.009 20.790 5.958 425 HA SER 54 HA SER 54 5.245 19.952 5.125 426 HB2 SER 54 HB2 SER 54 5.911 17.829 6.299 427 HB3 SER 54 HB3 SER 54 6.898 18.270 4.901 428 HG SER 54 HG SER 54 8.526 19.033 6.312 429 H SER 55 H SER 55 7.117 20.439 8.247 430 HA SER 55 HA SER 55 5.136 20.236 10.123 431 HB2 SER 55 HB2 SER 55 7.564 21.207 10.403 432 HB3 SER 55 HB3 SER 55 6.793 22.763 10.175 433 HG SER 55 HG SER 55 6.532 20.877 12.239 434 H LYS 56 H LYS 56 5.615 23.049 8.066 435 HA LYS 56 HA LYS 56 3.416 24.686 8.957 436 HB2 LYS 56 HB2 LYS 56 5.032 24.626 6.383 437 HB3 LYS 56 HB3 LYS 56 3.780 25.830 6.709 438 HG2 LYS 56 HG2 LYS 56 4.974 26.602 8.728 439 HG3 LYS 56 HG3 LYS 56 6.207 25.362 8.493 440 HD2 LYS 56 HD2 LYS 56 7.070 27.464 7.707 441 HD3 LYS 56 HD3 LYS 56 6.836 26.386 6.318 442 HE2 LYS 56 HE2 LYS 56 4.705 27.558 5.778 443 HE3 LYS 56 HE3 LYS 56 4.913 28.598 7.196 444 HZ1 LYS 56 HZ1 LYS 56 6.754 28.513 4.866 445 HZ2 LYS 56 HZ2 LYS 56 5.677 29.691 5.177 446 HZ3 LYS 56 HZ3 LYS 56 6.941 29.472 6.171 447 H GLU 57 H GLU 57 3.413 21.976 6.836 448 HA GLU 57 HA GLU 57 0.751 22.505 5.620 449 HB2 GLU 57 HB2 GLU 57 2.572 21.717 4.218 450 HB3 GLU 57 HB3 GLU 57 2.858 20.373 5.297 451 HG2 GLU 57 HG2 GLU 57 1.792 19.344 3.661 452 HG3 GLU 57 HG3 GLU 57 0.460 19.622 4.783 453 H VAL 58 H VAL 58 2.292 20.250 7.977 454 HA VAL 58 HA VAL 58 -0.277 18.981 8.566 455 HB VAL 58 HB VAL 58 1.606 17.591 8.762 456 HG11 VAL 58 HG11 VAL 58 3.427 19.042 9.197 457 HG12 VAL 58 HG12 VAL 58 2.746 19.576 10.739 458 HG13 VAL 58 HG13 VAL 58 3.349 17.904 10.526 459 HG21 VAL 58 HG21 VAL 58 1.379 16.611 10.911 460 HG22 VAL 58 HG22 VAL 58 0.772 18.117 11.620 461 HG23 VAL 58 HG23 VAL 58 -0.213 17.221 10.445 462 H LEU 59 H LEU 59 1.475 21.676 9.976 463 HA LEU 59 HA LEU 59 -0.000 22.103 12.271 464 HB2 LEU 59 HB2 LEU 59 1.408 23.795 10.261 465 HB3 LEU 59 HB3 LEU 59 0.380 24.628 11.423 466 HG LEU 59 HG LEU 59 2.476 22.636 12.358 467 HD11 LEU 59 HD11 LEU 59 3.654 24.291 11.050 468 HD12 LEU 59 HD12 LEU 59 2.723 25.619 11.785 469 HD13 LEU 59 HD13 LEU 59 3.883 24.700 12.748 470 HD21 LEU 59 HD21 LEU 59 0.669 23.282 13.889 471 HD22 LEU 59 HD22 LEU 59 2.245 23.861 14.427 472 HD23 LEU 59 HD23 LEU 59 1.094 24.994 13.679 473 H ALA 60 H ALA 60 -1.093 22.773 8.983 474 HA ALA 60 HA ALA 60 -3.480 24.097 9.852 475 HB1 ALA 60 HB1 ALA 60 -2.706 22.873 7.156 476 HB2 ALA 60 HB2 ALA 60 -4.058 23.992 7.409 477 HB3 ALA 60 HB3 ALA 60 -2.398 24.554 7.673 478 H LYS 61 H LYS 61 -2.814 20.918 10.211 479 HA LYS 61 HA LYS 61 -5.649 20.443 10.718 480 HB2 LYS 61 HB2 LYS 61 -5.954 18.956 9.235 481 HB3 LYS 61 HB3 LYS 61 -4.327 19.182 8.631 482 HG2 LYS 61 HG2 LYS 61 -4.995 17.161 10.815 483 HG3 LYS 61 HG3 LYS 61 -5.162 16.798 9.123 484 HD2 LYS 61 HD2 LYS 61 -2.561 17.691 10.412 485 HD3 LYS 61 HD3 LYS 61 -3.013 16.009 10.140 486 HE2 LYS 61 HE2 LYS 61 -2.616 18.131 7.964 487 HE3 LYS 61 HE3 LYS 61 -1.472 16.851 8.376 488 HZ1 LYS 61 HZ1 LYS 61 -2.791 16.251 6.442 489 HZ2 LYS 61 HZ2 LYS 61 -3.150 15.216 7.642 490 HZ3 LYS 61 HZ3 LYS 61 -4.191 16.408 7.242 491 H ILE 62 H ILE 62 -2.721 20.747 12.026 492 HA ILE 62 HA ILE 62 -2.653 19.033 14.211 493 HB ILE 62 HB ILE 62 -1.491 21.391 13.393 494 HG12 ILE 62 HG12 ILE 62 -0.118 21.078 15.613 495 HG13 ILE 62 HG13 ILE 62 -1.039 19.562 15.678 496 HG21 ILE 62 HG21 ILE 62 -2.682 22.143 16.053 497 HG22 ILE 62 HG22 ILE 62 -1.463 23.040 15.124 498 HG23 ILE 62 HG23 ILE 62 -3.060 22.844 14.445 499 HD11 ILE 62 HD11 ILE 62 -0.309 19.361 13.164 500 HD12 ILE 62 HD12 ILE 62 0.911 20.587 13.603 501 HD13 ILE 62 HD13 ILE 62 0.899 19.024 14.443 502 H VAL 63 H VAL 63 -4.957 21.662 13.588 503 HA VAL 63 HA VAL 63 -6.214 21.311 16.232 504 HB VAL 63 HB VAL 63 -6.104 23.485 14.987 505 HG11 VAL 63 HG11 VAL 63 -8.520 22.456 13.477 506 HG12 VAL 63 HG12 VAL 63 -7.815 24.087 13.427 507 HG13 VAL 63 HG13 VAL 63 -6.907 22.714 12.761 508 HG21 VAL 63 HG21 VAL 63 -8.364 24.120 15.880 509 HG22 VAL 63 HG22 VAL 63 -8.650 22.405 16.171 510 HG23 VAL 63 HG23 VAL 63 -7.307 23.214 16.980 511 H ASP 64 H ASP 64 -6.618 19.910 13.152 512 HA ASP 64 HA ASP 64 -9.285 18.909 13.661 513 HB2 ASP 64 HB2 ASP 64 -7.365 18.344 11.366 514 HB3 ASP 64 HB3 ASP 64 -9.019 17.750 11.456 515 H LEU 65 H LEU 65 -6.183 17.972 14.596 516 HA LEU 65 HA LEU 65 -7.161 15.238 15.211 517 HB2 LEU 65 HB2 LEU 65 -5.285 15.737 13.381 518 HB3 LEU 65 HB3 LEU 65 -4.253 15.770 14.790 519 HG LEU 65 HG LEU 65 -5.975 13.452 13.727 520 HD11 LEU 65 HD11 LEU 65 -3.760 13.942 12.708 521 HD12 LEU 65 HD12 LEU 65 -2.999 13.672 14.284 522 HD13 LEU 65 HD13 LEU 65 -3.854 12.340 13.482 523 HD21 LEU 65 HD21 LEU 65 -6.208 13.284 16.114 524 HD22 LEU 65 HD22 LEU 65 -4.961 12.127 15.633 525 HD23 LEU 65 HD23 LEU 65 -4.506 13.701 16.361 526 H LEU 66 H LEU 66 -4.624 17.640 16.515 527 HA LEU 66 HA LEU 66 -4.724 16.438 19.118 528 HB2 LEU 66 HB2 LEU 66 -4.112 19.303 18.340 529 HB3 LEU 66 HB3 LEU 66 -3.859 18.660 19.949 530 HG LEU 66 HG LEU 66 -2.502 17.600 17.491 531 HD11 LEU 66 HD11 LEU 66 -1.628 19.745 19.467 532 HD12 LEU 66 HD12 LEU 66 -0.545 18.973 18.282 533 HD13 LEU 66 HD13 LEU 66 -1.933 19.933 17.736 534 HD21 LEU 66 HD21 LEU 66 -1.866 17.329 20.464 535 HD22 LEU 66 HD22 LEU 66 -2.473 16.041 19.400 536 HD23 LEU 66 HD23 LEU 66 -0.855 16.710 19.141 537 H ALA 67 H ALA 67 -6.112 19.649 18.300 538 HA ALA 67 HA ALA 67 -7.761 19.848 20.598 539 HB1 ALA 67 HB1 ALA 67 -7.246 21.752 19.226 540 HB2 ALA 67 HB2 ALA 67 -7.959 21.007 17.800 541 HB3 ALA 67 HB3 ALA 67 -9.005 21.548 19.127 542 H SER 68 H SER 68 -8.327 18.055 17.757 543 HA SER 68 HA SER 68 -11.174 17.618 18.001 544 HB2 SER 68 HB2 SER 68 -9.985 17.627 15.869 545 HB3 SER 68 HB3 SER 68 -9.050 16.204 16.374 546 HG SER 68 HG SER 68 -10.805 15.674 15.043 547 H ARG 69 H ARG 69 -8.295 15.845 19.093 548 HA ARG 69 HA ARG 69 -9.983 13.618 20.178 549 HB2 ARG 69 HB2 ARG 69 -7.026 13.596 19.449 550 HB3 ARG 69 HB3 ARG 69 -7.956 12.233 20.072 551 HG2 ARG 69 HG2 ARG 69 -8.356 13.588 17.372 552 HG3 ARG 69 HG3 ARG 69 -7.631 12.010 17.682 553 HD2 ARG 69 HD2 ARG 69 -9.803 11.196 18.574 554 HD3 ARG 69 HD3 ARG 69 -10.528 12.777 18.225 555 HE ARG 69 HE ARG 69 -9.405 11.920 15.802 556 HH11 ARG 69 HH11 ARG 69 -10.594 11.020 14.176 557 HH12 ARG 69 HH12 ARG 69 -12.079 10.181 14.553 558 HH21 ARG 69 HH21 ARG 69 -11.940 10.712 17.914 559 HH22 ARG 69 HH22 ARG 69 -12.824 10.025 16.571 560 H ASN 70 H ASN 70 -9.785 16.090 21.418 561 HA ASN 70 HA ASN 70 -9.511 17.109 23.342 562 HB2 ASN 70 HB2 ASN 70 -9.491 14.302 24.500 563 HB3 ASN 70 HB3 ASN 70 -9.767 15.775 25.423 564 HD21 ASN 70 HD21 ASN 70 -12.982 14.137 23.975 565 HD22 ASN 70 HD22 ASN 70 -11.507 13.306 24.441 566 H LYS 71 H LYS 71 -6.950 16.532 21.938 567 HA LYS 71 HA LYS 71 -5.126 17.138 24.180 568 HB2 LYS 71 HB2 LYS 71 -4.402 16.439 21.319 569 HB3 LYS 71 HB3 LYS 71 -3.267 16.756 22.625 570 HG2 LYS 71 HG2 LYS 71 -5.173 14.397 22.424 571 HG3 LYS 71 HG3 LYS 71 -3.422 14.390 22.207 572 HD2 LYS 71 HD2 LYS 71 -3.097 15.009 24.583 573 HD3 LYS 71 HD3 LYS 71 -4.856 14.996 24.829 574 HE2 LYS 71 HE2 LYS 71 -4.952 12.619 24.161 575 HE3 LYS 71 HE3 LYS 71 -3.203 12.605 23.910 576 HZ1 LYS 71 HZ1 LYS 71 -4.536 13.107 26.513 577 HZ2 LYS 71 HZ2 LYS 71 -3.778 11.734 26.086 578 HZ3 LYS 71 HZ3 LYS 71 -2.924 13.106 26.280 579 H TRP 72 H TRP 72 -7.173 18.892 23.246 580 HA TRP 72 HA TRP 72 -6.290 21.143 21.845 581 HB2 TRP 72 HB2 TRP 72 -7.861 22.230 23.803 582 HB3 TRP 72 HB3 TRP 72 -8.413 21.453 22.333 583 HD1 TRP 72 HD1 TRP 72 -10.410 20.171 22.652 584 HE1 TRP 72 HE1 TRP 72 -11.511 18.772 24.482 585 HE3 TRP 72 HE3 TRP 72 -6.782 20.403 26.300 586 HZ2 TRP 72 HZ2 TRP 72 -10.880 17.702 27.042 587 HZ3 TRP 72 HZ3 TRP 72 -7.044 19.116 28.387 588 HH2 TRP 72 HH2 TRP 72 -9.084 17.760 28.782 589 H ASP 73 H ASP 73 -5.277 20.142 25.026 590 HA ASP 73 HA ASP 73 -4.068 22.516 26.019 591 HB2 ASP 73 HB2 ASP 73 -3.573 19.532 26.228 592 HB3 ASP 73 HB3 ASP 73 -2.445 20.655 26.991 593 H ASP 74 H ASP 74 -2.976 20.299 23.446 594 HA ASP 74 HA ASP 74 -0.298 21.412 23.418 595 HB2 ASP 74 HB2 ASP 74 -1.709 19.403 21.654 596 HB3 ASP 74 HB3 ASP 74 -0.019 19.864 21.472 597 H LEU 75 H LEU 75 -3.271 22.305 21.753 598 HA LEU 75 HA LEU 75 -2.309 23.317 19.299 599 HB2 LEU 75 HB2 LEU 75 -4.704 23.554 20.917 600 HB3 LEU 75 HB3 LEU 75 -4.316 25.042 20.062 601 HG LEU 75 HG LEU 75 -5.850 23.415 18.916 602 HD11 LEU 75 HD11 LEU 75 -3.375 24.391 17.493 603 HD12 LEU 75 HD12 LEU 75 -4.730 23.627 16.643 604 HD13 LEU 75 HD13 LEU 75 -5.008 25.099 17.573 605 HD21 LEU 75 HD21 LEU 75 -3.390 21.764 18.328 606 HD22 LEU 75 HD22 LEU 75 -4.608 21.357 19.559 607 HD23 LEU 75 HD23 LEU 75 -5.056 21.455 17.857 608 H ASN 76 H ASN 76 -2.398 24.901 22.398 609 HA ASN 76 HA ASN 76 -1.310 27.419 22.016 610 HB2 ASN 76 HB2 ASN 76 -1.942 26.869 24.177 611 HB3 ASN 76 HB3 ASN 76 -1.283 25.249 24.081 612 HD21 ASN 76 HD21 ASN 76 0.958 27.901 25.994 613 HD22 ASN 76 HD22 ASN 76 -0.675 28.317 25.480 614 H GLU 77 H GLU 77 0.594 24.393 22.052 615 HA GLU 77 HA GLU 77 3.125 25.760 21.723 616 HB2 GLU 77 HB2 GLU 77 2.717 23.502 22.863 617 HB3 GLU 77 HB3 GLU 77 2.506 22.837 21.252 618 HG2 GLU 77 HG2 GLU 77 4.727 22.348 21.831 619 HG3 GLU 77 HG3 GLU 77 4.852 23.664 20.678 620 H GLN 78 H GLN 78 0.724 24.417 19.555 621 HA GLN 78 HA GLN 78 2.419 24.061 17.253 622 HB2 GLN 78 HB2 GLN 78 -0.576 24.475 17.135 623 HB3 GLN 78 HB3 GLN 78 0.473 23.518 16.083 624 HG2 GLN 78 HG2 GLN 78 -0.342 22.932 18.911 625 HG3 GLN 78 HG3 GLN 78 -0.826 22.028 17.515 626 HE21 GLN 78 HE21 GLN 78 2.202 20.591 19.512 627 HE22 GLN 78 HE22 GLN 78 0.853 21.541 20.150 628 H LEU 79 H LEU 79 0.326 26.680 18.337 629 HA LEU 79 HA LEU 79 0.834 28.621 16.312 630 HB2 LEU 79 HB2 LEU 79 0.570 29.011 19.332 631 HB3 LEU 79 HB3 LEU 79 0.387 30.264 18.114 632 HG LEU 79 HG LEU 79 -1.520 28.002 18.756 633 HD11 LEU 79 HD11 LEU 79 -3.032 29.966 19.083 634 HD12 LEU 79 HD12 LEU 79 -1.600 30.059 20.105 635 HD13 LEU 79 HD13 LEU 79 -1.719 31.056 18.641 636 HD21 LEU 79 HD21 LEU 79 -2.934 28.799 16.878 637 HD22 LEU 79 HD22 LEU 79 -1.592 29.839 16.321 638 HD23 LEU 79 HD23 LEU 79 -1.440 28.064 16.318 639 H THR 80 H THR 80 2.969 27.417 18.778 640 HA THR 80 HA THR 80 4.708 29.791 18.860 641 HB THR 80 HB THR 80 4.296 27.287 20.478 642 HG1 THR 80 HG1 THR 80 3.024 28.835 21.136 643 HG21 THR 80 HG21 THR 80 6.092 28.076 21.996 644 HG22 THR 80 HG22 THR 80 6.640 27.398 20.441 645 HG23 THR 80 HG23 THR 80 6.634 29.174 20.692 646 H LEU 81 H LEU 81 4.927 26.406 17.827 647 HA LEU 81 HA LEU 81 7.402 25.533 17.806 648 HB2 LEU 81 HB2 LEU 81 5.897 25.705 15.211 649 HB3 LEU 81 HB3 LEU 81 7.151 24.533 15.652 650 HG LEU 81 HG LEU 81 4.374 24.797 16.833 651 HD11 LEU 81 HD11 LEU 81 5.650 22.612 15.168 652 HD12 LEU 81 HD12 LEU 81 3.956 22.680 15.718 653 HD13 LEU 81 HD13 LEU 81 4.568 23.866 14.560 654 HD21 LEU 81 HD21 LEU 81 6.572 22.808 17.511 655 HD22 LEU 81 HD22 LEU 81 5.915 24.063 18.599 656 HD23 LEU 81 HD23 LEU 81 4.887 22.730 18.071 657 H LEU 82 H LEU 82 6.715 27.552 14.976 658 HA LEU 82 HA LEU 82 9.619 27.889 14.559 659 HB2 LEU 82 HB2 LEU 82 7.214 28.891 12.992 660 HB3 LEU 82 HB3 LEU 82 8.874 29.114 12.462 661 HG LEU 82 HG LEU 82 7.735 26.351 13.033 662 HD11 LEU 82 HD11 LEU 82 7.750 27.841 10.378 663 HD12 LEU 82 HD12 LEU 82 7.321 26.126 10.615 664 HD13 LEU 82 HD13 LEU 82 6.313 27.393 11.328 665 HD21 LEU 82 HD21 LEU 82 10.028 27.281 11.249 666 HD22 LEU 82 HD22 LEU 82 10.235 26.604 12.868 667 HD23 LEU 82 HD23 LEU 82 9.549 25.598 11.585 668 H SER 83 H SER 83 7.219 29.679 16.134 669 HA SER 83 HA SER 83 8.522 32.316 16.018 670 HB2 SER 83 HB2 SER 83 6.036 31.982 16.259 671 HB3 SER 83 HB3 SER 83 6.333 31.360 17.893 672 HG SER 83 HG SER 83 7.488 33.374 18.272 673 H LYS 84 H LYS 84 9.220 29.432 17.712 674 HA LYS 84 HA LYS 84 10.099 30.316 20.252 675 HB2 LYS 84 HB2 LYS 84 11.250 28.212 18.374 676 HB3 LYS 84 HB3 LYS 84 11.783 28.438 20.044 677 HG2 LYS 84 HG2 LYS 84 9.554 27.912 20.895 678 HG3 LYS 84 HG3 LYS 84 8.917 27.749 19.253 679 HD2 LYS 84 HD2 LYS 84 10.481 25.885 18.799 680 HD3 LYS 84 HD3 LYS 84 11.154 26.016 20.424 681 HE2 LYS 84 HE2 LYS 84 8.198 25.448 19.860 682 HE3 LYS 84 HE3 LYS 84 9.413 24.179 19.995 683 HZ1 LYS 84 HZ1 LYS 84 8.904 26.131 22.184 684 HZ2 LYS 84 HZ2 LYS 84 8.230 24.649 22.116 685 HZ3 LYS 84 HZ3 LYS 84 9.849 24.807 22.255 686 H LYS 85 H LYS 85 11.562 31.019 17.169 687 HA LYS 85 HA LYS 85 14.128 32.016 18.182 688 HB2 LYS 85 HB2 LYS 85 12.680 32.424 15.522 689 HB3 LYS 85 HB3 LYS 85 14.312 32.996 15.894 690 HG2 LYS 85 HG2 LYS 85 15.045 30.647 16.288 691 HG3 LYS 85 HG3 LYS 85 13.425 30.079 15.837 692 HD2 LYS 85 HD2 LYS 85 13.691 31.107 13.591 693 HD3 LYS 85 HD3 LYS 85 15.318 31.664 14.044 694 HE2 LYS 85 HE2 LYS 85 16.001 29.293 14.428 695 HE3 LYS 85 HE3 LYS 85 14.388 28.753 13.943 696 HZ1 LYS 85 HZ1 LYS 85 14.806 29.732 11.746 697 HZ2 LYS 85 HZ2 LYS 85 16.294 30.214 12.198 698 HZ3 LYS 85 HZ3 LYS 85 15.947 28.626 12.097 699 H HIS 86 H HIS 86 12.971 33.148 19.995 700 HA HIS 86 HA HIS 86 11.391 35.441 19.730 701 HB2 HIS 86 HB2 HIS 86 11.902 34.381 21.880 702 HB3 HIS 86 HB3 HIS 86 13.580 34.923 21.773 703 HD2 HIS 86 HD2 HIS 86 10.025 36.242 22.495 704 HE1 HIS 86 HE1 HIS 86 12.690 39.452 23.367 705 HE2 HIS 86 HE2 HIS 86 10.273 38.674 23.499 706 H GLY 87 H GLY 87 11.638 37.554 19.278 707 HA2 GLY 87 HA2 GLY 87 12.865 39.560 18.727 708 HA3 GLY 87 HA3 GLY 87 14.269 38.584 18.302 709 H GLN 88 H GLN 88 12.416 36.625 16.755 710 HA GLN 88 HA GLN 88 12.211 38.094 14.231 711 HB2 GLN 88 HB2 GLN 88 12.949 35.744 14.331 712 HB3 GLN 88 HB3 GLN 88 11.381 35.258 14.990 713 HG2 GLN 88 HG2 GLN 88 10.242 35.898 12.937 714 HG3 GLN 88 HG3 GLN 88 11.723 36.612 12.289 715 HE21 GLN 88 HE21 GLN 88 11.455 33.350 10.621 716 HE22 GLN 88 HE22 GLN 88 10.622 34.897 10.596 717 H LEU 89 H LEU 89 10.297 38.648 13.207 718 HA LEU 89 HA LEU 89 8.168 39.609 14.814 719 HB2 LEU 89 HB2 LEU 89 8.738 40.654 12.709 720 HB3 LEU 89 HB3 LEU 89 8.410 39.165 11.819 721 HG LEU 89 HG LEU 89 5.999 39.341 12.354 722 HD11 LEU 89 HD11 LEU 89 5.909 40.522 14.457 723 HD12 LEU 89 HD12 LEU 89 6.811 41.903 13.778 724 HD13 LEU 89 HD13 LEU 89 5.157 41.564 13.266 725 HD21 LEU 89 HD21 LEU 89 7.147 41.841 11.098 726 HD22 LEU 89 HD22 LEU 89 6.831 40.281 10.288 727 HD23 LEU 89 HD23 LEU 89 5.485 41.233 10.914 728 H LYS 90 H LYS 90 6.764 38.408 15.928 729 HA LYS 90 HA LYS 90 5.656 35.885 15.068 730 HB2 LYS 90 HB2 LYS 90 5.776 36.446 17.407 731 HB3 LYS 90 HB3 LYS 90 4.814 37.908 17.167 732 HG2 LYS 90 HG2 LYS 90 3.600 36.181 18.319 733 HG3 LYS 90 HG3 LYS 90 2.839 36.694 16.824 734 HD2 LYS 90 HD2 LYS 90 3.333 34.641 15.734 735 HD3 LYS 90 HD3 LYS 90 4.485 34.146 16.978 736 HE2 LYS 90 HE2 LYS 90 2.760 33.671 18.537 737 HE3 LYS 90 HE3 LYS 90 1.580 34.652 17.663 738 HZ1 LYS 90 HZ1 LYS 90 2.578 31.947 16.881 739 HZ2 LYS 90 HZ2 LYS 90 1.055 32.407 17.237 740 HZ3 LYS 90 HZ3 LYS 90 1.730 32.894 15.836 741 H LEU 91 H LEU 91 4.528 39.224 14.324 742 HA LEU 91 HA LEU 91 1.956 38.708 13.805 743 HB2 LEU 91 HB2 LEU 91 2.965 40.896 13.674 744 HB3 LEU 91 HB3 LEU 91 3.671 40.488 12.102 745 HG LEU 91 HG LEU 91 1.666 42.005 12.175 746 HD11 LEU 91 HD11 LEU 91 0.724 41.227 10.108 747 HD12 LEU 91 HD12 LEU 91 2.472 40.969 10.089 748 HD13 LEU 91 HD13 LEU 91 1.371 39.601 10.350 749 HD21 LEU 91 HD21 LEU 91 0.288 40.676 13.767 750 HD22 LEU 91 HD22 LEU 91 -0.555 41.092 12.265 751 HD23 LEU 91 HD23 LEU 91 0.060 39.448 12.498 752 H SER 92 H SER 92 4.586 38.047 11.528 753 HA SER 92 HA SER 92 3.100 37.089 9.306 754 HB2 SER 92 HB2 SER 92 5.525 37.688 9.348 755 HB3 SER 92 HB3 SER 92 5.846 36.271 10.356 756 HG SER 92 HG SER 92 4.955 36.348 7.661 757 H ILE 93 H ILE 93 3.947 35.399 12.305 758 HA ILE 93 HA ILE 93 2.460 33.010 11.379 759 HB ILE 93 HB ILE 93 4.874 32.775 11.845 760 HG12 ILE 93 HG12 ILE 93 3.018 31.002 13.508 761 HG13 ILE 93 HG13 ILE 93 3.213 30.914 11.746 762 HG21 ILE 93 HG21 ILE 93 4.207 32.798 14.781 763 HG22 ILE 93 HG22 ILE 93 5.794 32.673 13.994 764 HG23 ILE 93 HG23 ILE 93 4.924 34.197 13.922 765 HD11 ILE 93 HD11 ILE 93 5.637 30.523 12.083 766 HD12 ILE 93 HD12 ILE 93 5.344 30.441 13.847 767 HD13 ILE 93 HD13 ILE 93 4.598 29.239 12.761 768 H GLN 94 H GLN 94 1.650 35.722 12.850 769 HA GLN 94 HA GLN 94 0.047 34.640 15.005 770 HB2 GLN 94 HB2 GLN 94 0.276 37.300 13.730 771 HB3 GLN 94 HB3 GLN 94 -1.387 36.852 14.139 772 HG2 GLN 94 HG2 GLN 94 0.939 36.872 16.042 773 HG3 GLN 94 HG3 GLN 94 -0.304 38.110 15.926 774 HE21 GLN 94 HE21 GLN 94 -2.784 36.086 17.597 775 HE22 GLN 94 HE22 GLN 94 -2.610 37.402 16.449 776 H TYR 95 H TYR 95 -0.346 35.239 11.543 777 HA TYR 95 HA TYR 95 -2.969 34.337 11.081 778 HB2 TYR 95 HB2 TYR 95 -0.414 33.991 9.455 779 HB3 TYR 95 HB3 TYR 95 -2.026 33.641 8.840 780 HD1 TYR 95 HD1 TYR 95 0.439 36.246 9.390 781 HD2 TYR 95 HD2 TYR 95 -3.778 35.503 8.789 782 HE1 TYR 95 HE1 TYR 95 0.126 38.600 8.673 783 HE2 TYR 95 HE2 TYR 95 -4.086 37.881 8.108 784 HH TYR 95 HH TYR 95 -1.351 40.175 7.978 785 H MET 96 H MET 96 -0.352 32.324 12.278 786 HA MET 96 HA MET 96 -1.447 29.768 11.487 787 HB2 MET 96 HB2 MET 96 0.892 30.314 12.407 788 HB3 MET 96 HB3 MET 96 0.130 30.471 13.990 789 HG2 MET 96 HG2 MET 96 1.122 28.262 13.753 790 HG3 MET 96 HG3 MET 96 -0.629 28.122 13.869 791 HE1 MET 96 HE1 MET 96 1.501 29.118 10.557 792 HE2 MET 96 HE2 MET 96 2.509 28.024 11.528 793 HE3 MET 96 HE3 MET 96 1.837 27.480 9.975 794 H ILE 97 H ILE 97 -2.274 32.112 13.958 795 HA ILE 97 HA ILE 97 -3.747 30.461 15.725 796 HB ILE 97 HB ILE 97 -2.924 32.961 15.898 797 HG12 ILE 97 HG12 ILE 97 -5.514 32.297 17.308 798 HG13 ILE 97 HG13 ILE 97 -4.035 31.394 17.623 799 HG21 ILE 97 HG21 ILE 97 -4.571 33.763 14.117 800 HG22 ILE 97 HG22 ILE 97 -5.880 33.397 15.253 801 HG23 ILE 97 HG23 ILE 97 -4.665 34.628 15.655 802 HD11 ILE 97 HD11 ILE 97 -4.357 34.387 17.999 803 HD12 ILE 97 HD12 ILE 97 -4.204 33.128 19.260 804 HD13 ILE 97 HD13 ILE 97 -2.836 33.494 18.185 805 H GLN 98 H GLN 98 -4.567 31.375 12.521 806 HA GLN 98 HA GLN 98 -7.361 31.367 12.598 807 HB2 GLN 98 HB2 GLN 98 -7.277 31.064 10.277 808 HB3 GLN 98 HB3 GLN 98 -5.792 31.929 10.679 809 HG2 GLN 98 HG2 GLN 98 -4.556 29.710 10.571 810 HG3 GLN 98 HG3 GLN 98 -6.064 28.934 10.076 811 HE21 GLN 98 HE21 GLN 98 -4.114 31.339 7.360 812 HE22 GLN 98 HE22 GLN 98 -3.765 31.507 9.093 813 H LYS 99 H LYS 99 -5.233 28.635 13.093 814 HA LYS 99 HA LYS 99 -7.418 26.647 12.878 815 HB2 LYS 99 HB2 LYS 99 -4.471 26.421 13.702 816 HB3 LYS 99 HB3 LYS 99 -5.550 25.062 13.579 817 HG2 LYS 99 HG2 LYS 99 -4.781 26.919 11.263 818 HG3 LYS 99 HG3 LYS 99 -4.097 25.332 11.553 819 HD2 LYS 99 HD2 LYS 99 -6.104 24.206 10.979 820 HD3 LYS 99 HD3 LYS 99 -7.102 25.656 11.107 821 HE2 LYS 99 HE2 LYS 99 -6.147 26.651 9.142 822 HE3 LYS 99 HE3 LYS 99 -4.918 25.390 9.008 823 HZ1 LYS 99 HZ1 LYS 99 -6.693 23.782 8.569 824 HZ2 LYS 99 HZ2 LYS 99 -7.851 24.935 8.726 825 HZ3 LYS 99 HZ3 LYS 99 -6.796 25.009 7.495 826 H VAL 100 H VAL 100 -5.545 28.250 15.471 827 HA VAL 100 HA VAL 100 -6.958 26.931 17.564 828 HB VAL 100 HB VAL 100 -5.214 29.317 17.264 829 HG11 VAL 100 HG11 VAL 100 -6.919 30.575 18.404 830 HG12 VAL 100 HG12 VAL 100 -7.109 29.309 19.631 831 HG13 VAL 100 HG13 VAL 100 -5.603 30.255 19.511 832 HG21 VAL 100 HG21 VAL 100 -5.554 27.092 19.325 833 HG22 VAL 100 HG22 VAL 100 -4.332 27.187 18.038 834 HG23 VAL 100 HG23 VAL 100 -4.276 28.287 19.425 835 H MET 101 H MET 101 -7.690 30.031 15.936 836 HA MET 101 HA MET 101 -10.208 30.155 17.286 837 HB2 MET 101 HB2 MET 101 -10.679 32.208 16.174 838 HB3 MET 101 HB3 MET 101 -9.059 32.183 16.848 839 HG2 MET 101 HG2 MET 101 -8.891 33.320 14.879 840 HG3 MET 101 HG3 MET 101 -8.120 31.776 14.631 841 HE1 MET 101 HE1 MET 101 -12.058 33.206 12.631 842 HE2 MET 101 HE2 MET 101 -12.003 32.866 14.372 843 HE3 MET 101 HE3 MET 101 -11.020 34.183 13.691 844 H GLU 102 H GLU 102 -9.533 27.891 15.404 845 HA GLU 102 HA GLU 102 -12.209 27.846 14.190 846 HB2 GLU 102 HB2 GLU 102 -10.467 27.453 12.522 847 HB3 GLU 102 HB3 GLU 102 -9.853 26.090 13.446 848 HG2 GLU 102 HG2 GLU 102 -11.189 25.387 11.518 849 HG3 GLU 102 HG3 GLU 102 -11.862 24.801 13.028 850 H TYR 103 H TYR 103 -10.422 24.905 15.247 851 HA TYR 103 HA TYR 103 -13.065 24.185 16.339 852 HB2 TYR 103 HB2 TYR 103 -11.977 22.728 14.666 853 HB3 TYR 103 HB3 TYR 103 -10.701 22.395 15.814 854 HD1 TYR 103 HD1 TYR 103 -14.258 21.860 14.989 855 HD2 TYR 103 HD2 TYR 103 -11.099 20.953 17.788 856 HE1 TYR 103 HE1 TYR 103 -15.668 20.075 16.005 857 HE2 TYR 103 HE2 TYR 103 -12.530 19.201 18.830 858 HH TYR 103 HH TYR 103 -15.805 18.460 17.588 859 H LEU 104 H LEU 104 -9.777 24.648 17.400 860 HA LEU 104 HA LEU 104 -9.986 23.715 20.075 861 HB2 LEU 104 HB2 LEU 104 -7.942 24.128 18.851 862 HB3 LEU 104 HB3 LEU 104 -8.292 25.823 18.705 863 HG LEU 104 HG LEU 104 -6.459 25.245 20.251 864 HD11 LEU 104 HD11 LEU 104 -8.744 26.510 21.834 865 HD12 LEU 104 HD12 LEU 104 -7.003 26.773 21.970 866 HD13 LEU 104 HD13 LEU 104 -7.885 27.353 20.534 867 HD21 LEU 104 HD21 LEU 104 -6.954 24.323 22.463 868 HD22 LEU 104 HD22 LEU 104 -8.651 24.077 22.020 869 HD23 LEU 104 HD23 LEU 104 -7.367 23.179 21.178 870 H LYS 105 H LYS 105 -10.569 27.044 18.745 871 HA LYS 105 HA LYS 105 -11.779 28.100 21.121 872 HB2 LYS 105 HB2 LYS 105 -11.840 28.867 18.199 873 HB3 LYS 105 HB3 LYS 105 -12.937 29.613 19.369 874 HG2 LYS 105 HG2 LYS 105 -10.802 30.033 20.855 875 HG3 LYS 105 HG3 LYS 105 -9.905 29.774 19.354 876 HD2 LYS 105 HD2 LYS 105 -11.539 31.483 18.302 877 HD3 LYS 105 HD3 LYS 105 -12.113 31.758 19.955 878 HE2 LYS 105 HE2 LYS 105 -9.601 32.278 20.510 879 HE3 LYS 105 HE3 LYS 105 -9.376 32.406 18.750 880 HZ1 LYS 105 HZ1 LYS 105 -9.866 34.564 19.741 881 HZ2 LYS 105 HZ2 LYS 105 -11.097 34.162 18.759 882 HZ3 LYS 105 HZ3 LYS 105 -11.264 34.036 20.371 883 H SER 106 H SER 106 -13.319 26.781 18.215 884 HA SER 106 HA SER 106 -15.967 26.986 19.250 885 HB2 SER 106 HB2 SER 106 -15.101 25.242 16.926 886 HB3 SER 106 HB3 SER 106 -16.725 25.866 17.259 887 HG SER 106 HG SER 106 -14.412 27.189 16.395 888 H SER 107 H SER 107 -13.949 25.001 20.687 889 HA SER 107 HA SER 107 -15.110 22.422 20.596 890 HB2 SER 107 HB2 SER 107 -12.808 23.013 21.372 891 HB3 SER 107 HB3 SER 107 -13.518 23.708 22.833 892 HG SER 107 HG SER 107 -13.341 21.028 22.005 893 H LYS 108 H LYS 108 -15.851 21.400 22.745 894 HA LYS 108 HA LYS 108 -18.583 22.396 23.091 895 HB2 LYS 108 HB2 LYS 108 -17.269 19.753 23.885 896 HB3 LYS 108 HB3 LYS 108 -18.983 20.136 24.108 897 HG2 LYS 108 HG2 LYS 108 -19.240 20.464 21.653 898 HG3 LYS 108 HG3 LYS 108 -17.543 20.003 21.421 899 HD2 LYS 108 HD2 LYS 108 -17.995 17.784 22.436 900 HD3 LYS 108 HD3 LYS 108 -19.699 18.239 22.666 901 HE2 LYS 108 HE2 LYS 108 -19.938 18.562 20.205 902 HE3 LYS 108 HE3 LYS 108 -18.247 18.099 19.979 903 HZ1 LYS 108 HZ1 LYS 108 -19.737 16.230 19.603 904 HZ2 LYS 108 HZ2 LYS 108 -18.801 15.909 20.892 905 HZ3 LYS 108 HZ3 LYS 108 -20.360 16.339 21.102 906 H SER 109 H SER 109 -17.672 24.159 24.188 907 HA SER 109 HA SER 109 -17.622 25.534 26.030 908 HB2 SER 109 HB2 SER 109 -18.980 23.279 27.540 909 HB3 SER 109 HB3 SER 109 -18.772 24.948 28.098 910 HG SER 109 HG SER 109 -20.228 24.054 25.827 911 H LEU 110 H LEU 110 -15.376 24.777 25.404 912 HA LEU 110 HA LEU 110 -13.667 23.135 26.603 913 HB2 LEU 110 HB2 LEU 110 -13.268 24.892 24.770 914 HB3 LEU 110 HB3 LEU 110 -12.955 26.051 26.059 915 HG LEU 110 HG LEU 110 -11.014 24.666 26.816 916 HD11 LEU 110 HD11 LEU 110 -11.546 22.429 26.165 917 HD12 LEU 110 HD12 LEU 110 -11.881 22.912 24.488 918 HD13 LEU 110 HD13 LEU 110 -10.228 22.909 25.086 919 HD21 LEU 110 HD21 LEU 110 -10.985 25.312 23.846 920 HD22 LEU 110 HD22 LEU 110 -10.738 26.495 25.141 921 HD23 LEU 110 HD23 LEU 110 -9.567 25.197 24.901 922 H ASP 111 H ASP 111 -12.570 22.794 28.419 923 HA ASP 111 HA ASP 111 -13.269 24.005 30.876 924 HB2 ASP 111 HB2 ASP 111 -10.837 22.310 30.208 925 HB3 ASP 111 HB3 ASP 111 -11.362 22.747 31.831 926 H LEU 112 H LEU 112 -12.333 25.443 32.167 927 HA LEU 112 HA LEU 112 -11.034 27.700 31.119 928 HB2 LEU 112 HB2 LEU 112 -11.119 26.635 33.966 929 HB3 LEU 112 HB3 LEU 112 -10.423 28.193 33.562 930 HG LEU 112 HG LEU 112 -13.298 27.471 32.841 931 HD11 LEU 112 HD11 LEU 112 -12.991 27.290 35.281 932 HD12 LEU 112 HD12 LEU 112 -12.256 28.905 35.322 933 HD13 LEU 112 HD13 LEU 112 -13.969 28.709 34.868 934 HD21 LEU 112 HD21 LEU 112 -13.590 29.924 32.769 935 HD22 LEU 112 HD22 LEU 112 -11.871 30.149 33.158 936 HD23 LEU 112 HD23 LEU 112 -12.353 29.401 31.620 937 H ASN 113 H ASN 113 -9.497 25.117 33.028 938 HA ASN 113 HA ASN 113 -6.956 26.305 33.021 939 HB2 ASN 113 HB2 ASN 113 -7.686 23.343 33.158 940 HB3 ASN 113 HB3 ASN 113 -6.116 23.994 33.621 941 HD21 ASN 113 HD21 ASN 113 -8.620 23.689 36.554 942 HD22 ASN 113 HD22 ASN 113 -8.440 22.619 35.172 943 H THR 114 H THR 114 -8.472 24.343 30.530 944 HA THR 114 HA THR 114 -6.094 23.968 28.871 945 HB THR 114 HB THR 114 -9.059 23.412 28.669 946 HG1 THR 114 HG1 THR 114 -6.730 21.822 28.523 947 HG21 THR 114 HG21 THR 114 -7.034 22.901 26.478 948 HG22 THR 114 HG22 THR 114 -8.699 22.250 26.573 949 HG23 THR 114 HG23 THR 114 -8.434 24.001 26.427 950 H ARG 115 H ARG 115 -9.112 25.921 28.611 951 HA ARG 115 HA ARG 115 -8.393 27.511 26.387 952 HB2 ARG 115 HB2 ARG 115 -10.637 27.409 27.267 953 HB3 ARG 115 HB3 ARG 115 -10.137 28.101 28.811 954 HG2 ARG 115 HG2 ARG 115 -9.776 30.262 27.905 955 HG3 ARG 115 HG3 ARG 115 -9.676 29.674 26.233 956 HD2 ARG 115 HD2 ARG 115 -12.184 29.219 27.826 957 HD3 ARG 115 HD3 ARG 115 -11.873 30.824 27.115 958 HE ARG 115 HE ARG 115 -11.430 29.183 24.973 959 HH11 ARG 115 HH11 ARG 115 -14.212 29.546 27.095 960 HH12 ARG 115 HH12 ARG 115 -15.325 29.033 25.852 961 HH21 ARG 115 HH21 ARG 115 -12.955 28.510 23.459 962 HH22 ARG 115 HH22 ARG 115 -14.636 28.497 23.882 963 H ILE 116 H ILE 116 -7.726 28.164 29.797 964 HA ILE 116 HA ILE 116 -6.537 30.661 29.661 965 HB ILE 116 HB ILE 116 -6.167 28.232 31.334 966 HG12 ILE 116 HG12 ILE 116 -6.731 31.180 31.964 967 HG13 ILE 116 HG13 ILE 116 -7.981 30.029 31.532 968 HG21 ILE 116 HG21 ILE 116 -3.868 28.829 31.182 969 HG22 ILE 116 HG22 ILE 116 -4.218 30.544 31.551 970 HG23 ILE 116 HG23 ILE 116 -4.456 29.277 32.783 971 HD11 ILE 116 HD11 ILE 116 -7.399 28.636 33.532 972 HD12 ILE 116 HD12 ILE 116 -6.258 29.906 34.040 973 HD13 ILE 116 HD13 ILE 116 -7.990 30.261 33.925 974 H SER 117 H SER 117 -5.090 27.626 28.685 975 HA SER 117 HA SER 117 -2.399 28.612 28.426 976 HB2 SER 117 HB2 SER 117 -1.843 26.572 27.354 977 HB3 SER 117 HB3 SER 117 -3.044 26.168 28.588 978 HG SER 117 HG SER 117 -4.615 26.049 26.962 979 H VAL 118 H VAL 118 -5.171 28.822 26.338 980 HA VAL 118 HA VAL 118 -3.529 29.670 24.017 981 HB VAL 118 HB VAL 118 -4.994 27.886 23.585 982 HG11 VAL 118 HG11 VAL 118 -7.498 28.120 23.646 983 HG12 VAL 118 HG12 VAL 118 -6.678 28.040 25.211 984 HG13 VAL 118 HG13 VAL 118 -7.301 29.600 24.568 985 HG21 VAL 118 HG21 VAL 118 -6.174 30.412 22.320 986 HG22 VAL 118 HG22 VAL 118 -4.598 29.735 21.879 987 HG23 VAL 118 HG23 VAL 118 -6.070 28.789 21.609 988 H ILE 119 H ILE 119 -6.015 30.879 26.269 989 HA ILE 119 HA ILE 119 -6.150 33.417 24.975 990 HB ILE 119 HB ILE 119 -7.762 32.009 26.583 991 HG12 ILE 119 HG12 ILE 119 -9.030 34.030 27.168 992 HG13 ILE 119 HG13 ILE 119 -7.682 35.038 26.600 993 HG21 ILE 119 HG21 ILE 119 -6.093 32.229 28.471 994 HG22 ILE 119 HG22 ILE 119 -6.726 33.865 28.702 995 HG23 ILE 119 HG23 ILE 119 -7.814 32.445 28.820 996 HD11 ILE 119 HD11 ILE 119 -9.061 32.932 24.875 997 HD12 ILE 119 HD12 ILE 119 -9.584 34.633 24.924 998 HD13 ILE 119 HD13 ILE 119 -7.965 34.218 24.324 999 H GLU 120 H GLU 120 -3.890 32.162 27.381 1000 HA GLU 120 HA GLU 120 -2.709 34.835 27.670 1001 HB2 GLU 120 HB2 GLU 120 -2.288 32.190 29.016 1002 HB3 GLU 120 HB3 GLU 120 -0.954 33.354 28.966 1003 HG2 GLU 120 HG2 GLU 120 -2.267 35.108 29.921 1004 HG3 GLU 120 HG3 GLU 120 -3.728 34.102 29.920 1005 H THR 121 H THR 121 -1.729 31.741 26.068 1006 HA THR 121 HA THR 121 0.890 32.427 25.458 1007 HB THR 121 HB THR 121 -0.119 30.261 24.885 1008 HG1 THR 121 HG1 THR 121 1.835 30.733 23.975 1009 HG21 THR 121 HG21 THR 121 -2.140 31.390 23.579 1010 HG22 THR 121 HG22 THR 121 -1.031 31.386 22.209 1011 HG23 THR 121 HG23 THR 121 -1.454 29.850 22.992 1012 H ILE 122 H ILE 122 -1.911 33.239 23.485 1013 HA ILE 122 HA ILE 122 -0.820 34.773 21.459 1014 HB ILE 122 HB ILE 122 -3.045 33.814 21.639 1015 HG12 ILE 122 HG12 ILE 122 -2.608 35.606 19.990 1016 HG13 ILE 122 HG13 ILE 122 -4.287 35.309 20.436 1017 HG21 ILE 122 HG21 ILE 122 -3.760 35.965 23.640 1018 HG22 ILE 122 HG22 ILE 122 -4.859 34.781 22.905 1019 HG23 ILE 122 HG23 ILE 122 -3.544 34.224 23.941 1020 HD11 ILE 122 HD11 ILE 122 -4.299 37.365 21.838 1021 HD12 ILE 122 HD12 ILE 122 -2.625 37.702 21.328 1022 HD13 ILE 122 HD13 ILE 122 -3.927 37.682 20.137 1023 H ARG 123 H ARG 123 -1.560 35.804 24.799 1024 HA ARG 123 HA ARG 123 -0.933 38.627 24.306 1025 HB2 ARG 123 HB2 ARG 123 -1.126 37.099 26.956 1026 HB3 ARG 123 HB3 ARG 123 -0.946 38.836 26.739 1027 HG2 ARG 123 HG2 ARG 123 -3.162 38.772 25.415 1028 HG3 ARG 123 HG3 ARG 123 -3.320 37.093 25.946 1029 HD2 ARG 123 HD2 ARG 123 -4.565 38.481 27.490 1030 HD3 ARG 123 HD3 ARG 123 -3.129 37.859 28.328 1031 HE ARG 123 HE ARG 123 -2.745 40.468 27.009 1032 HH11 ARG 123 HH11 ARG 123 -3.885 39.113 30.047 1033 HH12 ARG 123 HH12 ARG 123 -3.342 40.511 30.947 1034 HH21 ARG 123 HH21 ARG 123 -1.943 42.088 28.229 1035 HH22 ARG 123 HH22 ARG 123 -2.327 42.170 29.938 1036 H VAL 124 H VAL 124 0.784 36.015 26.101 1037 HA VAL 124 HA VAL 124 3.064 37.666 26.535 1038 HB VAL 124 HB VAL 124 2.479 35.816 27.980 1039 HG11 VAL 124 HG11 VAL 124 3.047 33.491 27.436 1040 HG12 VAL 124 HG12 VAL 124 1.752 34.134 26.426 1041 HG13 VAL 124 HG13 VAL 124 3.388 33.961 25.750 1042 HG21 VAL 124 HG21 VAL 124 5.259 35.381 26.826 1043 HG22 VAL 124 HG22 VAL 124 4.811 36.687 27.950 1044 HG23 VAL 124 HG23 VAL 124 4.689 34.993 28.459 1045 H VAL 125 H VAL 125 2.317 35.599 23.771 1046 HA VAL 125 HA VAL 125 4.993 35.926 22.665 1047 HB VAL 125 HB VAL 125 3.451 33.899 22.463 1048 HG11 VAL 125 HG11 VAL 125 2.402 35.356 20.013 1049 HG12 VAL 125 HG12 VAL 125 1.925 33.762 20.651 1050 HG13 VAL 125 HG13 VAL 125 1.492 35.238 21.516 1051 HG21 VAL 125 HG21 VAL 125 4.848 34.922 19.961 1052 HG22 VAL 125 HG22 VAL 125 5.607 34.083 21.327 1053 HG23 VAL 125 HG23 VAL 125 4.419 33.237 20.334 1054 H THR 126 H THR 126 2.080 37.873 22.470 1055 HA THR 126 HA THR 126 3.282 39.331 20.140 1056 HB THR 126 HB THR 126 1.145 40.117 19.464 1057 HG1 THR 126 HG1 THR 126 -0.072 38.511 21.432 1058 HG21 THR 126 HG21 THR 126 0.874 37.119 19.918 1059 HG22 THR 126 HG22 THR 126 0.000 38.115 18.745 1060 HG23 THR 126 HG23 THR 126 1.751 37.895 18.584 1061 H GLU 127 H GLU 127 1.577 39.980 23.234 1062 HA GLU 127 HA GLU 127 2.232 42.840 23.166 1063 HB2 GLU 127 HB2 GLU 127 1.483 41.059 25.523 1064 HB3 GLU 127 HB3 GLU 127 1.538 42.821 25.510 1065 HG2 GLU 127 HG2 GLU 127 -0.319 42.897 23.889 1066 HG3 GLU 127 HG3 GLU 127 -0.349 41.131 23.815 1067 H ASN 128 H ASN 128 3.553 39.876 24.526 1068 HA ASN 128 HA ASN 128 5.450 39.311 25.568 1069 HB2 ASN 128 HB2 ASN 128 5.942 39.532 23.103 1070 HB3 ASN 128 HB3 ASN 128 6.780 41.042 23.461 1071 HD21 ASN 128 HD21 ASN 128 8.363 37.458 24.808 1072 HD22 ASN 128 HD22 ASN 128 6.623 37.597 24.593 1073 H LYS 129 H LYS 129 7.903 41.421 25.381 1074 HA LYS 129 HA LYS 129 8.973 42.769 26.890 1075 HB2 LYS 129 HB2 LYS 129 6.223 44.049 27.031 1076 HB3 LYS 129 HB3 LYS 129 7.678 44.763 27.708 1077 HG2 LYS 129 HG2 LYS 129 7.372 44.053 24.765 1078 HG3 LYS 129 HG3 LYS 129 6.996 45.636 25.456 1079 HD2 LYS 129 HD2 LYS 129 9.367 45.784 26.296 1080 HD3 LYS 129 HD3 LYS 129 9.747 44.309 25.401 1081 HE2 LYS 129 HE2 LYS 129 8.650 46.892 24.185 1082 HE3 LYS 129 HE3 LYS 129 10.357 46.448 24.228 1083 HZ1 LYS 129 HZ1 LYS 129 8.254 44.925 22.792 1084 HZ2 LYS 129 HZ2 LYS 129 9.381 45.879 22.114 1085 HZ3 LYS 129 HZ3 LYS 129 9.837 44.510 22.862 1086 H ILE 130 H ILE 130 8.654 40.458 27.937 1087 HA ILE 130 HA ILE 130 7.157 40.040 30.230 1088 HB ILE 130 HB ILE 130 8.750 38.241 30.782 1089 HG12 ILE 130 HG12 ILE 130 10.389 39.128 28.367 1090 HG13 ILE 130 HG13 ILE 130 10.856 39.450 30.033 1091 HG21 ILE 130 HG21 ILE 130 6.908 37.968 29.128 1092 HG22 ILE 130 HG22 ILE 130 8.058 38.310 27.814 1093 HG23 ILE 130 HG23 ILE 130 8.267 36.882 28.842 1094 HD11 ILE 130 HD11 ILE 130 10.888 36.991 30.487 1095 HD12 ILE 130 HD12 ILE 130 10.567 36.708 28.757 1096 HD13 ILE 130 HD13 ILE 130 12.059 37.518 29.265 1097 H PHE 131 H PHE 131 7.493 40.015 32.371 1098 HA PHE 131 HA PHE 131 8.482 42.412 33.465 1099 HB2 PHE 131 HB2 PHE 131 7.684 39.887 34.958 1100 HB3 PHE 131 HB3 PHE 131 7.719 41.521 35.606 1101 HD1 PHE 131 HD1 PHE 131 6.216 43.315 34.391 1102 HD2 PHE 131 HD2 PHE 131 5.639 39.050 34.082 1103 HE1 PHE 131 HE1 PHE 131 3.863 43.681 33.681 1104 HE2 PHE 131 HE2 PHE 131 3.291 39.420 33.373 1105 HZ PHE 131 HZ PHE 131 2.397 41.733 33.167 1106 H VAL 132 H VAL 132 10.284 39.626 32.877 1107 HA VAL 132 HA VAL 132 12.375 39.712 34.817 1108 HB VAL 132 HB VAL 132 12.142 38.862 31.930 1109 HG11 VAL 132 HG11 VAL 132 14.708 38.756 33.549 1110 HG12 VAL 132 HG12 VAL 132 14.399 37.832 32.059 1111 HG13 VAL 132 HG13 VAL 132 14.422 39.600 31.999 1112 HG21 VAL 132 HG21 VAL 132 12.740 37.309 34.479 1113 HG22 VAL 132 HG22 VAL 132 11.147 37.439 33.706 1114 HG23 VAL 132 HG23 VAL 132 12.472 36.624 32.860 1115 H GLU 133 H GLU 133 11.993 41.446 31.755 1116 HA GLU 133 HA GLU 133 14.357 43.042 32.004 1117 HB2 GLU 133 HB2 GLU 133 11.941 43.318 30.180 1118 HB3 GLU 133 HB3 GLU 133 13.448 44.239 30.036 1119 HG2 GLU 133 HG2 GLU 133 14.696 42.070 29.795 1120 HG3 GLU 133 HG3 GLU 133 13.148 41.211 29.760 1121 H VAL 134 H VAL 134 14.589 45.150 32.549 1122 HA VAL 134 HA VAL 134 12.389 46.875 33.268 1123 HB VAL 134 HB VAL 134 12.412 45.683 35.305 1124 HG11 VAL 134 HG11 VAL 134 15.354 46.324 35.740 1125 HG12 VAL 134 HG12 VAL 134 14.253 45.495 36.852 1126 HG13 VAL 134 HG13 VAL 134 14.697 44.727 35.328 1127 HG21 VAL 134 HG21 VAL 134 12.083 48.131 35.408 1128 HG22 VAL 134 HG22 VAL 134 12.722 47.437 36.907 1129 HG23 VAL 134 HG23 VAL 134 13.805 48.327 35.826 1130 H GLU 135 H GLU 135 13.032 48.219 31.787 1131 HA GLU 135 HA GLU 135 14.109 49.846 30.688 1132 HB2 GLU 135 HB2 GLU 135 14.598 51.782 31.965 1133 HB3 GLU 135 HB3 GLU 135 13.169 50.987 32.597 1134 HG2 GLU 135 HG2 GLU 135 14.242 50.325 34.582 1135 HG3 GLU 135 HG3 GLU 135 15.858 50.478 33.893 1136 H ARG 136 H ARG 136 15.818 47.605 30.788 1137 HA ARG 136 HA ARG 136 18.367 48.899 29.995 1138 HB2 ARG 136 HB2 ARG 136 18.184 46.527 31.911 1139 HB3 ARG 136 HB3 ARG 136 19.661 47.042 31.111 1140 HG2 ARG 136 HG2 ARG 136 18.092 48.706 33.122 1141 HG3 ARG 136 HG3 ARG 136 19.548 47.774 33.454 1142 HD2 ARG 136 HD2 ARG 136 20.832 49.159 31.860 1143 HD3 ARG 136 HD3 ARG 136 19.398 50.128 31.515 1144 HE ARG 136 HE ARG 136 21.110 50.244 33.894 1145 HH11 ARG 136 HH11 ARG 136 17.937 51.166 32.672 1146 HH12 ARG 136 HH12 ARG 136 17.680 52.269 34.008 1147 HH21 ARG 136 HH21 ARG 136 20.735 51.745 35.460 1148 HH22 ARG 136 HH22 ARG 136 19.250 52.670 35.438 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -1.495 28.933 -15.764 2 H2 MET 1 H2 MET 1 -1.395 30.532 -15.444 3 H3 MET 1 H3 MET 1 -0.449 29.482 -14.629 4 HA MET 1 HA MET 1 -2.207 30.244 -13.230 5 HB2 MET 1 HB2 MET 1 -3.835 30.770 -14.982 6 HB3 MET 1 HB3 MET 1 -4.081 29.054 -15.316 7 HG2 MET 1 HG2 MET 1 -4.971 28.723 -13.027 8 HG3 MET 1 HG3 MET 1 -4.605 30.407 -12.635 9 HE1 MET 1 HE1 MET 1 -6.973 27.902 -14.436 10 HE2 MET 1 HE2 MET 1 -8.055 28.955 -15.375 11 HE3 MET 1 HE3 MET 1 -6.363 28.753 -15.874 12 H SER 2 H SER 2 -2.961 27.085 -14.869 13 HA SER 2 HA SER 2 -3.337 25.808 -12.353 14 HB2 SER 2 HB2 SER 2 -3.147 24.550 -15.107 15 HB3 SER 2 HB3 SER 2 -3.918 23.866 -13.658 16 HG SER 2 HG SER 2 -5.449 24.844 -15.016 17 H ARG 3 H ARG 3 -0.912 26.542 -11.834 18 HA ARG 3 HA ARG 3 1.323 25.017 -12.665 19 HB2 ARG 3 HB2 ARG 3 1.308 27.216 -11.467 20 HB3 ARG 3 HB3 ARG 3 0.844 26.385 -9.978 21 HG2 ARG 3 HG2 ARG 3 2.980 25.146 -9.977 22 HG3 ARG 3 HG3 ARG 3 3.419 25.865 -11.541 23 HD2 ARG 3 HD2 ARG 3 3.392 28.121 -10.495 24 HD3 ARG 3 HD3 ARG 3 2.915 27.405 -8.958 25 HE ARG 3 HE ARG 3 5.085 26.589 -8.618 26 HH11 ARG 3 HH11 ARG 3 7.263 26.590 -8.880 27 HH12 ARG 3 HH12 ARG 3 7.968 27.214 -10.347 28 HH21 ARG 3 HH21 ARG 3 5.001 28.037 -11.825 29 HH22 ARG 3 HH22 ARG 3 6.742 27.993 -11.955 30 H ASP 4 H ASP 4 -1.139 24.105 -10.382 31 HA ASP 4 HA ASP 4 0.370 21.668 -9.567 32 HB2 ASP 4 HB2 ASP 4 -1.122 21.552 -7.654 33 HB3 ASP 4 HB3 ASP 4 -0.336 23.117 -7.718 34 H ALA 5 H ALA 5 -1.246 22.121 -12.176 35 HA ALA 5 HA ALA 5 -3.168 19.949 -12.094 36 HB1 ALA 5 HB1 ALA 5 -3.221 21.600 -13.877 37 HB2 ALA 5 HB2 ALA 5 -1.603 21.123 -14.434 38 HB3 ALA 5 HB3 ALA 5 -2.955 19.981 -14.546 39 HA PRO 6 HA PRO 6 0.621 17.144 -12.910 40 HB2 PRO 6 HB2 PRO 6 2.961 18.680 -11.867 41 HB3 PRO 6 HB3 PRO 6 2.846 17.644 -13.321 42 HG2 PRO 6 HG2 PRO 6 2.940 20.357 -13.537 43 HG3 PRO 6 HG3 PRO 6 1.851 19.390 -14.593 44 HD2 PRO 6 HD2 PRO 6 1.162 20.767 -11.972 45 HD3 PRO 6 HD3 PRO 6 0.355 20.934 -13.558 46 H ILE 7 H ILE 7 1.711 15.708 -11.342 47 HA ILE 7 HA ILE 7 0.705 16.022 -8.659 48 HB ILE 7 HB ILE 7 2.546 13.835 -9.699 49 HG12 ILE 7 HG12 ILE 7 0.075 12.658 -9.526 50 HG13 ILE 7 HG13 ILE 7 -0.417 14.272 -10.023 51 HG21 ILE 7 HG21 ILE 7 1.624 12.529 -7.818 52 HG22 ILE 7 HG22 ILE 7 2.432 13.975 -7.222 53 HG23 ILE 7 HG23 ILE 7 0.656 13.930 -7.304 54 HD11 ILE 7 HD11 ILE 7 1.575 12.449 -11.466 55 HD12 ILE 7 HD12 ILE 7 -0.108 12.737 -11.936 56 HD13 ILE 7 HD13 ILE 7 1.067 14.058 -12.036 57 H LYS 8 H LYS 8 1.705 17.980 -8.122 58 HA LYS 8 HA LYS 8 4.571 18.293 -7.970 59 HB2 LYS 8 HB2 LYS 8 2.217 19.993 -7.079 60 HB3 LYS 8 HB3 LYS 8 3.870 20.532 -6.840 61 HG2 LYS 8 HG2 LYS 8 2.982 19.757 -9.624 62 HG3 LYS 8 HG3 LYS 8 2.509 21.296 -8.927 63 HD2 LYS 8 HD2 LYS 8 4.467 21.607 -10.278 64 HD3 LYS 8 HD3 LYS 8 4.834 21.955 -8.585 65 HE2 LYS 8 HE2 LYS 8 5.998 19.816 -8.334 66 HE3 LYS 8 HE3 LYS 8 5.515 19.323 -9.972 67 HZ1 LYS 8 HZ1 LYS 8 6.849 21.170 -10.841 68 HZ2 LYS 8 HZ2 LYS 8 7.300 21.613 -9.337 69 HZ3 LYS 8 HZ3 LYS 8 7.778 20.185 -9.944 70 H ALA 9 H ALA 9 4.232 16.064 -6.489 71 HA ALA 9 HA ALA 9 4.612 16.825 -3.646 72 HB1 ALA 9 HB1 ALA 9 5.244 14.527 -3.285 73 HB2 ALA 9 HB2 ALA 9 3.630 14.650 -4.032 74 HB3 ALA 9 HB3 ALA 9 5.043 14.159 -5.017 75 H ASP 10 H ASP 10 6.116 18.443 -4.254 76 HA ASP 10 HA ASP 10 8.732 17.967 -5.287 77 HB2 ASP 10 HB2 ASP 10 7.469 20.154 -5.020 78 HB3 ASP 10 HB3 ASP 10 7.861 20.097 -3.295 79 H LYS 11 H LYS 11 7.333 17.461 -2.176 80 HA LYS 11 HA LYS 11 7.984 16.554 -0.206 81 HB2 LYS 11 HB2 LYS 11 8.801 14.900 -2.478 82 HB3 LYS 11 HB3 LYS 11 9.757 14.513 -1.069 83 HG2 LYS 11 HG2 LYS 11 7.665 14.284 0.278 84 HG3 LYS 11 HG3 LYS 11 6.715 14.701 -1.151 85 HD2 LYS 11 HD2 LYS 11 7.609 12.701 -2.336 86 HD3 LYS 11 HD3 LYS 11 8.555 12.262 -0.908 87 HE2 LYS 11 HE2 LYS 11 6.463 11.905 0.404 88 HE3 LYS 11 HE3 LYS 11 5.500 12.493 -0.956 89 HZ1 LYS 11 HZ1 LYS 11 7.191 10.043 -1.017 90 HZ2 LYS 11 HZ2 LYS 11 5.566 10.068 -0.919 91 HZ3 LYS 11 HZ3 LYS 11 6.305 10.598 -2.261 92 H ASP 12 H ASP 12 9.846 18.749 -0.977 93 HA ASP 12 HA ASP 12 12.383 18.225 0.311 94 HB2 ASP 12 HB2 ASP 12 10.860 20.794 -0.220 95 HB3 ASP 12 HB3 ASP 12 12.377 20.767 0.676 96 H TYR 13 H TYR 13 12.719 17.671 2.268 97 HA TYR 13 HA TYR 13 12.612 17.185 4.427 98 HB2 TYR 13 HB2 TYR 13 11.060 19.716 4.936 99 HB3 TYR 13 HB3 TYR 13 12.097 18.835 6.048 100 HD1 TYR 13 HD1 TYR 13 14.646 18.504 4.996 101 HD2 TYR 13 HD2 TYR 13 11.893 21.709 4.129 102 HE1 TYR 13 HE1 TYR 13 16.548 19.952 4.291 103 HE2 TYR 13 HE2 TYR 13 13.790 23.159 3.429 104 HH TYR 13 HH TYR 13 16.037 23.301 3.136 105 H SER 14 H SER 14 9.372 18.176 3.318 106 HA SER 14 HA SER 14 7.875 16.889 5.344 107 HB2 SER 14 HB2 SER 14 5.984 17.019 3.793 108 HB3 SER 14 HB3 SER 14 6.915 18.527 3.802 109 HG SER 14 HG SER 14 6.405 17.873 1.695 110 H GLN 15 H GLN 15 9.688 15.384 2.897 111 HA GLN 15 HA GLN 15 8.111 13.064 2.363 112 HB2 GLN 15 HB2 GLN 15 10.122 12.051 1.486 113 HB3 GLN 15 HB3 GLN 15 9.978 13.716 0.966 114 HG2 GLN 15 HG2 GLN 15 11.622 14.353 2.823 115 HG3 GLN 15 HG3 GLN 15 11.841 12.623 3.136 116 HE21 GLN 15 HE21 GLN 15 13.326 14.192 -0.391 117 HE22 GLN 15 HE22 GLN 15 11.906 14.943 0.358 118 H ILE 16 H ILE 16 10.164 13.853 5.097 119 HA ILE 16 HA ILE 16 10.475 11.293 6.300 120 HB ILE 16 HB ILE 16 9.989 14.000 7.638 121 HG12 ILE 16 HG12 ILE 16 12.720 12.810 7.125 122 HG13 ILE 16 HG13 ILE 16 11.917 13.844 5.938 123 HG21 ILE 16 HG21 ILE 16 11.053 11.341 8.632 124 HG22 ILE 16 HG22 ILE 16 11.360 12.853 9.506 125 HG23 ILE 16 HG23 ILE 16 9.697 12.275 9.281 126 HD11 ILE 16 HD11 ILE 16 13.375 15.218 7.244 127 HD12 ILE 16 HD12 ILE 16 11.684 15.663 7.532 128 HD13 ILE 16 HD13 ILE 16 12.577 14.719 8.755 129 H LEU 17 H LEU 17 7.965 13.742 6.513 130 HA LEU 17 HA LEU 17 6.332 12.456 8.503 131 HB2 LEU 17 HB2 LEU 17 5.502 14.470 6.415 132 HB3 LEU 17 HB3 LEU 17 4.873 14.273 8.066 133 HG LEU 17 HG LEU 17 7.554 15.477 7.227 134 HD11 LEU 17 HD11 LEU 17 5.770 16.921 6.675 135 HD12 LEU 17 HD12 LEU 17 4.946 16.664 8.223 136 HD13 LEU 17 HD13 LEU 17 6.494 17.505 8.183 137 HD21 LEU 17 HD21 LEU 17 7.559 16.263 9.692 138 HD22 LEU 17 HD22 LEU 17 6.433 14.929 9.994 139 HD23 LEU 17 HD23 LEU 17 8.060 14.623 9.321 140 H LYS 18 H LYS 18 6.554 12.321 5.012 141 HA LYS 18 HA LYS 18 4.085 10.901 4.504 142 HB2 LYS 18 HB2 LYS 18 6.475 11.359 2.749 143 HB3 LYS 18 HB3 LYS 18 4.916 10.719 2.217 144 HG2 LYS 18 HG2 LYS 18 5.305 13.454 3.483 145 HG3 LYS 18 HG3 LYS 18 5.253 13.182 1.751 146 HD2 LYS 18 HD2 LYS 18 2.910 12.500 1.895 147 HD3 LYS 18 HD3 LYS 18 2.954 12.583 3.672 148 HE2 LYS 18 HE2 LYS 18 3.571 14.995 3.540 149 HE3 LYS 18 HE3 LYS 18 3.435 14.930 1.781 150 HZ1 LYS 18 HZ1 LYS 18 1.432 15.791 2.932 151 HZ2 LYS 18 HZ2 LYS 18 1.092 14.489 1.998 152 HZ3 LYS 18 HZ3 LYS 18 1.182 14.340 3.622 153 H GLU 19 H GLU 19 7.440 9.945 5.123 154 HA GLU 19 HA GLU 19 6.815 7.161 4.415 155 HB2 GLU 19 HB2 GLU 19 9.000 6.827 3.944 156 HB3 GLU 19 HB3 GLU 19 8.839 8.541 3.546 157 HG2 GLU 19 HG2 GLU 19 9.724 9.045 5.889 158 HG3 GLU 19 HG3 GLU 19 10.040 7.315 6.076 159 H GLU 20 H GLU 20 7.894 8.998 7.294 160 HA GLU 20 HA GLU 20 8.224 6.561 8.870 161 HB2 GLU 20 HB2 GLU 20 8.222 9.491 9.728 162 HB3 GLU 20 HB3 GLU 20 8.554 8.093 10.754 163 HG2 GLU 20 HG2 GLU 20 10.386 7.443 9.090 164 HG3 GLU 20 HG3 GLU 20 10.190 9.037 8.368 165 H PHE 21 H PHE 21 5.533 8.765 8.267 166 HA PHE 21 HA PHE 21 3.940 8.336 10.487 167 HB2 PHE 21 HB2 PHE 21 3.190 9.837 8.858 168 HB3 PHE 21 HB3 PHE 21 3.222 8.629 7.578 169 HD1 PHE 21 HD1 PHE 21 1.057 8.195 6.788 170 HD2 PHE 21 HD2 PHE 21 1.649 8.747 11.026 171 HE1 PHE 21 HE1 PHE 21 -1.346 7.731 7.189 172 HE2 PHE 21 HE2 PHE 21 -0.753 8.280 11.421 173 HZ PHE 21 HZ PHE 21 -2.255 7.767 9.506 174 HA PRO 22 HA PRO 22 2.222 4.075 9.010 175 HB2 PRO 22 HB2 PRO 22 4.102 2.593 7.567 176 HB3 PRO 22 HB3 PRO 22 2.588 3.330 6.920 177 HG2 PRO 22 HG2 PRO 22 5.438 4.315 6.824 178 HG3 PRO 22 HG3 PRO 22 4.183 4.444 5.550 179 HD2 PRO 22 HD2 PRO 22 4.778 6.576 7.084 180 HD3 PRO 22 HD3 PRO 22 3.085 6.223 6.659 181 H LYS 23 H LYS 23 5.768 4.487 9.269 182 HA LYS 23 HA LYS 23 6.300 2.216 10.882 183 HB2 LYS 23 HB2 LYS 23 7.866 4.791 11.051 184 HB3 LYS 23 HB3 LYS 23 8.408 3.167 11.438 185 HG2 LYS 23 HG2 LYS 23 7.567 4.118 8.684 186 HG3 LYS 23 HG3 LYS 23 9.235 3.992 9.240 187 HD2 LYS 23 HD2 LYS 23 9.037 1.554 9.386 188 HD3 LYS 23 HD3 LYS 23 7.312 1.632 8.974 189 HE2 LYS 23 HE2 LYS 23 7.836 2.671 6.797 190 HE3 LYS 23 HE3 LYS 23 9.563 2.622 7.179 191 HZ1 LYS 23 HZ1 LYS 23 7.830 0.226 6.900 192 HZ2 LYS 23 HZ2 LYS 23 8.906 0.747 5.796 193 HZ3 LYS 23 HZ3 LYS 23 9.424 0.198 7.236 194 H ILE 24 H ILE 24 5.240 5.489 11.826 195 HA ILE 24 HA ILE 24 5.170 4.804 14.681 196 HB ILE 24 HB ILE 24 4.699 6.867 15.199 197 HG12 ILE 24 HG12 ILE 24 3.582 8.471 13.181 198 HG13 ILE 24 HG13 ILE 24 2.680 7.019 13.001 199 HG21 ILE 24 HG21 ILE 24 6.668 6.906 13.577 200 HG22 ILE 24 HG22 ILE 24 5.491 7.491 12.363 201 HG23 ILE 24 HG23 ILE 24 5.850 8.477 13.790 202 HD11 ILE 24 HD11 ILE 24 1.993 7.130 15.349 203 HD12 ILE 24 HD12 ILE 24 3.051 8.574 15.599 204 HD13 ILE 24 HD13 ILE 24 1.628 8.639 14.526 205 H ASP 25 H ASP 25 2.865 4.745 12.019 206 HA ASP 25 HA ASP 25 0.516 4.715 13.594 207 HB2 ASP 25 HB2 ASP 25 0.756 5.201 11.193 208 HB3 ASP 25 HB3 ASP 25 1.082 3.496 10.875 209 H SER 26 H SER 26 2.676 2.106 12.599 210 HA SER 26 HA SER 26 1.303 -0.142 13.725 211 HB2 SER 26 HB2 SER 26 3.249 -0.255 12.198 212 HB3 SER 26 HB3 SER 26 4.282 0.415 13.472 213 HG SER 26 HG SER 26 4.371 -1.877 13.347 214 H LEU 27 H LEU 27 3.316 2.405 15.290 215 HA LEU 27 HA LEU 27 3.293 1.074 17.879 216 HB2 LEU 27 HB2 LEU 27 5.206 2.357 17.529 217 HB3 LEU 27 HB3 LEU 27 4.331 3.663 16.759 218 HG LEU 27 HG LEU 27 3.276 4.249 18.937 219 HD11 LEU 27 HD11 LEU 27 5.369 2.317 20.072 220 HD12 LEU 27 HD12 LEU 27 4.323 3.397 21.012 221 HD13 LEU 27 HD13 LEU 27 3.613 2.061 20.121 222 HD21 LEU 27 HD21 LEU 27 5.290 5.358 19.817 223 HD22 LEU 27 HD22 LEU 27 6.326 4.268 18.871 224 HD23 LEU 27 HD23 LEU 27 5.262 5.425 18.048 225 H ALA 28 H ALA 28 1.627 3.908 16.452 226 HA ALA 28 HA ALA 28 0.052 4.638 18.623 227 HB1 ALA 28 HB1 ALA 28 -0.641 4.815 15.659 228 HB2 ALA 28 HB2 ALA 28 -1.342 5.808 16.956 229 HB3 ALA 28 HB3 ALA 28 0.375 5.965 16.552 230 H GLN 29 H GLN 29 -0.560 1.987 16.407 231 HA GLN 29 HA GLN 29 -3.221 1.364 17.327 232 HB2 GLN 29 HB2 GLN 29 -1.060 -0.218 15.908 233 HB3 GLN 29 HB3 GLN 29 -2.591 -0.962 16.347 234 HG2 GLN 29 HG2 GLN 29 -2.398 1.544 14.624 235 HG3 GLN 29 HG3 GLN 29 -2.457 -0.091 13.985 236 HE21 GLN 29 HE21 GLN 29 -5.933 1.108 13.826 237 HE22 GLN 29 HE22 GLN 29 -4.401 1.451 13.026 238 H ASN 30 H ASN 30 -0.350 1.202 19.060 239 HA ASN 30 HA ASN 30 -1.352 -0.837 20.947 240 HB2 ASN 30 HB2 ASN 30 1.457 -0.412 19.845 241 HB3 ASN 30 HB3 ASN 30 1.093 -1.440 21.230 242 HD21 ASN 30 HD21 ASN 30 0.502 -2.944 17.542 243 HD22 ASN 30 HD22 ASN 30 1.166 -1.330 17.727 244 H ASP 31 H ASP 31 0.766 2.043 20.629 245 HA ASP 31 HA ASP 31 -0.186 3.058 23.214 246 HB2 ASP 31 HB2 ASP 31 1.746 1.657 23.855 247 HB3 ASP 31 HB3 ASP 31 2.778 2.537 22.721 248 H CYS 32 H CYS 32 -1.171 4.567 21.616 249 HA CYS 32 HA CYS 32 0.450 6.238 19.989 250 HB2 CYS 32 HB2 CYS 32 -2.050 5.835 19.784 251 HB3 CYS 32 HB3 CYS 32 -2.267 6.971 21.136 252 HG CYS 32 HG CYS 32 -0.709 8.845 19.927 253 H ASN 33 H ASN 33 0.080 6.348 23.396 254 HA ASN 33 HA ASN 33 0.626 9.104 23.920 255 HB2 ASN 33 HB2 ASN 33 1.516 6.760 25.636 256 HB3 ASN 33 HB3 ASN 33 1.177 8.404 26.147 257 HD21 ASN 33 HD21 ASN 33 -1.820 5.705 26.005 258 HD22 ASN 33 HD22 ASN 33 -0.146 5.266 25.623 259 H SER 34 H SER 34 2.709 6.395 23.016 260 HA SER 34 HA SER 34 5.195 8.004 23.196 261 HB2 SER 34 HB2 SER 34 4.628 5.210 22.155 262 HB3 SER 34 HB3 SER 34 6.232 5.973 22.215 263 HG SER 34 HG SER 34 4.605 4.977 24.279 264 H ALA 35 H ALA 35 2.823 6.918 20.772 265 HA ALA 35 HA ALA 35 4.425 7.531 18.486 266 HB1 ALA 35 HB1 ALA 35 2.647 6.739 17.318 267 HB2 ALA 35 HB2 ALA 35 2.210 6.083 18.878 268 HB3 ALA 35 HB3 ALA 35 1.431 7.578 18.323 269 H LEU 36 H LEU 36 2.163 9.608 20.327 270 HA LEU 36 HA LEU 36 2.307 11.816 18.519 271 HB2 LEU 36 HB2 LEU 36 1.278 13.075 20.235 272 HB3 LEU 36 HB3 LEU 36 0.662 11.446 20.361 273 HG LEU 36 HG LEU 36 2.638 11.238 22.190 274 HD11 LEU 36 HD11 LEU 36 3.418 13.606 21.857 275 HD12 LEU 36 HD12 LEU 36 1.804 14.177 22.309 276 HD13 LEU 36 HD13 LEU 36 2.819 13.320 23.490 277 HD21 LEU 36 HD21 LEU 36 -0.011 12.636 22.709 278 HD22 LEU 36 HD22 LEU 36 0.212 10.882 22.572 279 HD23 LEU 36 HD23 LEU 36 0.970 11.765 23.910 280 H ASP 37 H ASP 37 4.519 10.657 20.948 281 HA ASP 37 HA ASP 37 6.452 12.836 20.612 282 HB2 ASP 37 HB2 ASP 37 6.587 10.192 22.064 283 HB3 ASP 37 HB3 ASP 37 7.928 11.327 21.987 284 H GLN 38 H GLN 38 5.505 10.720 18.411 285 HA GLN 38 HA GLN 38 8.187 10.657 17.187 286 HB2 GLN 38 HB2 GLN 38 5.808 8.898 16.510 287 HB3 GLN 38 HB3 GLN 38 7.352 8.909 15.656 288 HG2 GLN 38 HG2 GLN 38 7.081 8.302 18.621 289 HG3 GLN 38 HG3 GLN 38 7.030 7.065 17.367 290 HE21 GLN 38 HE21 GLN 38 10.656 8.714 18.346 291 HE22 GLN 38 HE22 GLN 38 9.187 9.553 18.857 292 H LEU 39 H LEU 39 4.720 11.071 16.061 293 HA LEU 39 HA LEU 39 5.645 12.618 13.833 294 HB2 LEU 39 HB2 LEU 39 2.910 12.708 15.190 295 HB3 LEU 39 HB3 LEU 39 3.294 13.410 13.619 296 HG LEU 39 HG LEU 39 3.280 10.496 14.387 297 HD11 LEU 39 HD11 LEU 39 1.467 10.304 12.780 298 HD12 LEU 39 HD12 LEU 39 1.080 11.606 13.905 299 HD13 LEU 39 HD13 LEU 39 1.666 11.990 12.273 300 HD21 LEU 39 HD21 LEU 39 4.180 11.888 11.797 301 HD22 LEU 39 HD22 LEU 39 5.100 10.712 12.766 302 HD23 LEU 39 HD23 LEU 39 3.700 10.190 11.819 303 H LEU 40 H LEU 40 4.532 13.893 17.080 304 HA LEU 40 HA LEU 40 4.774 16.597 15.942 305 HB2 LEU 40 HB2 LEU 40 4.171 15.900 18.813 306 HB3 LEU 40 HB3 LEU 40 4.022 17.451 18.024 307 HG LEU 40 HG LEU 40 1.839 16.992 17.831 308 HD11 LEU 40 HD11 LEU 40 0.980 15.848 15.939 309 HD12 LEU 40 HD12 LEU 40 2.454 16.701 15.448 310 HD13 LEU 40 HD13 LEU 40 2.464 14.949 15.688 311 HD21 LEU 40 HD21 LEU 40 0.792 14.996 18.276 312 HD22 LEU 40 HD22 LEU 40 2.228 14.018 17.894 313 HD23 LEU 40 HD23 LEU 40 2.174 15.028 19.359 314 H VAL 41 H VAL 41 6.972 14.429 17.301 315 HA VAL 41 HA VAL 41 8.976 16.347 18.166 316 HB VAL 41 HB VAL 41 9.002 13.408 17.471 317 HG11 VAL 41 HG11 VAL 41 11.226 14.158 16.774 318 HG12 VAL 41 HG12 VAL 41 11.419 15.095 18.275 319 HG13 VAL 41 HG13 VAL 41 11.356 13.315 18.317 320 HG21 VAL 41 HG21 VAL 41 9.552 15.047 20.013 321 HG22 VAL 41 HG22 VAL 41 8.075 14.128 19.676 322 HG23 VAL 41 HG23 VAL 41 9.614 13.282 19.918 323 H LEU 42 H LEU 42 8.039 14.850 15.087 324 HA LEU 42 HA LEU 42 10.194 15.935 13.541 325 HB2 LEU 42 HB2 LEU 42 7.334 15.403 12.720 326 HB3 LEU 42 HB3 LEU 42 8.667 15.711 11.634 327 HG LEU 42 HG LEU 42 8.745 13.359 13.559 328 HD11 LEU 42 HD11 LEU 42 7.892 13.027 10.676 329 HD12 LEU 42 HD12 LEU 42 7.845 11.873 11.996 330 HD13 LEU 42 HD13 LEU 42 6.712 13.240 11.976 331 HD21 LEU 42 HD21 LEU 42 10.170 14.089 10.976 332 HD22 LEU 42 HD22 LEU 42 10.882 13.980 12.599 333 HD23 LEU 42 HD23 LEU 42 10.320 12.508 11.786 334 H GLU 43 H GLU 43 6.864 17.234 14.070 335 HA GLU 43 HA GLU 43 7.197 19.840 13.037 336 HB2 GLU 43 HB2 GLU 43 5.090 19.278 13.825 337 HB3 GLU 43 HB3 GLU 43 5.637 18.785 15.401 338 HG2 GLU 43 HG2 GLU 43 5.936 21.668 14.525 339 HG3 GLU 43 HG3 GLU 43 4.347 21.105 14.910 340 H LYS 44 H LYS 44 8.260 18.699 16.241 341 HA LYS 44 HA LYS 44 9.325 21.202 17.135 342 HB2 LYS 44 HB2 LYS 44 8.784 19.200 18.553 343 HB3 LYS 44 HB3 LYS 44 10.199 18.380 17.907 344 HG2 LYS 44 HG2 LYS 44 11.671 20.149 18.847 345 HG3 LYS 44 HG3 LYS 44 10.244 21.009 19.461 346 HD2 LYS 44 HD2 LYS 44 9.681 19.066 20.894 347 HD3 LYS 44 HD3 LYS 44 11.106 18.196 20.278 348 HE2 LYS 44 HE2 LYS 44 12.585 19.979 21.159 349 HE3 LYS 44 HE3 LYS 44 11.175 20.863 21.764 350 HZ1 LYS 44 HZ1 LYS 44 12.205 19.546 23.511 351 HZ2 LYS 44 HZ2 LYS 44 10.709 18.971 23.227 352 HZ3 LYS 44 HZ3 LYS 44 12.014 18.164 22.675 353 H LYS 45 H LYS 45 11.064 18.431 15.711 354 HA LYS 45 HA LYS 45 13.634 19.677 15.558 355 HB2 LYS 45 HB2 LYS 45 13.170 17.229 15.436 356 HB3 LYS 45 HB3 LYS 45 12.411 17.445 13.856 357 HG2 LYS 45 HG2 LYS 45 14.577 18.254 12.921 358 HG3 LYS 45 HG3 LYS 45 15.328 18.080 14.523 359 HD2 LYS 45 HD2 LYS 45 14.850 15.638 14.475 360 HD3 LYS 45 HD3 LYS 45 14.097 15.818 12.876 361 HE2 LYS 45 HE2 LYS 45 16.242 16.677 11.955 362 HE3 LYS 45 HE3 LYS 45 16.994 16.521 13.549 363 HZ1 LYS 45 HZ1 LYS 45 17.495 14.612 12.152 364 HZ2 LYS 45 HZ2 LYS 45 16.598 14.118 13.417 365 HZ3 LYS 45 HZ3 LYS 45 15.920 14.270 11.943 366 H THR 46 H THR 46 11.098 19.410 13.084 367 HA THR 46 HA THR 46 12.468 20.686 10.926 368 HB THR 46 HB THR 46 10.239 21.005 9.958 369 HG1 THR 46 HG1 THR 46 9.329 19.674 12.259 370 HG21 THR 46 HG21 THR 46 10.825 18.246 11.150 371 HG22 THR 46 HG22 THR 46 9.557 18.619 9.939 372 HG23 THR 46 HG23 THR 46 11.288 18.872 9.569 373 H ARG 47 H ARG 47 10.105 22.166 13.269 374 HA ARG 47 HA ARG 47 10.531 24.765 12.090 375 HB2 ARG 47 HB2 ARG 47 8.603 23.809 13.745 376 HB3 ARG 47 HB3 ARG 47 9.524 24.709 14.939 377 HG2 ARG 47 HG2 ARG 47 8.770 26.019 12.290 378 HG3 ARG 47 HG3 ARG 47 7.565 25.761 13.512 379 HD2 ARG 47 HD2 ARG 47 8.253 27.897 13.913 380 HD3 ARG 47 HD3 ARG 47 9.090 26.995 15.175 381 HE ARG 47 HE ARG 47 11.027 27.101 13.306 382 HH11 ARG 47 HH11 ARG 47 12.449 28.633 12.774 383 HH12 ARG 47 HH12 ARG 47 12.096 30.312 13.092 384 HH21 ARG 47 HH21 ARG 47 9.063 29.751 14.563 385 HH22 ARG 47 HH22 ARG 47 10.302 30.909 14.097 386 H GLN 48 H GLN 48 12.139 23.146 14.838 387 HA GLN 48 HA GLN 48 13.728 25.435 15.528 388 HB2 GLN 48 HB2 GLN 48 14.104 22.456 15.999 389 HB3 GLN 48 HB3 GLN 48 15.222 23.664 16.624 390 HG2 GLN 48 HG2 GLN 48 12.234 23.645 17.251 391 HG3 GLN 48 HG3 GLN 48 13.470 22.925 18.271 392 HE21 GLN 48 HE21 GLN 48 12.696 26.344 19.576 393 HE22 GLN 48 HE22 GLN 48 11.736 24.898 19.267 394 H ALA 49 H ALA 49 14.350 22.760 13.221 395 HA ALA 49 HA ALA 49 17.006 23.590 12.569 396 HB1 ALA 49 HB1 ALA 49 16.754 21.834 10.829 397 HB2 ALA 49 HB2 ALA 49 16.180 21.277 12.415 398 HB3 ALA 49 HB3 ALA 49 15.009 21.756 11.170 399 H SER 50 H SER 50 14.084 25.037 11.670 400 HA SER 50 HA SER 50 13.303 26.344 10.064 401 HB2 SER 50 HB2 SER 50 14.604 27.906 8.886 402 HB3 SER 50 HB3 SER 50 15.312 27.712 10.497 403 HG SER 50 HG SER 50 16.721 26.097 9.376 404 H ASP 51 H ASP 51 13.605 23.565 9.634 405 HA ASP 51 HA ASP 51 13.484 23.222 6.669 406 HB2 ASP 51 HB2 ASP 51 13.274 21.251 8.978 407 HB3 ASP 51 HB3 ASP 51 13.178 20.819 7.277 408 H LEU 52 H LEU 52 11.607 24.662 8.672 409 HA LEU 52 HA LEU 52 9.370 23.417 9.409 410 HB2 LEU 52 HB2 LEU 52 8.494 25.513 9.810 411 HB3 LEU 52 HB3 LEU 52 10.234 25.576 10.045 412 HG LEU 52 HG LEU 52 9.585 27.617 9.223 413 HD11 LEU 52 HD11 LEU 52 10.801 27.927 7.155 414 HD12 LEU 52 HD12 LEU 52 11.655 26.818 8.236 415 HD13 LEU 52 HD13 LEU 52 10.760 26.182 6.833 416 HD21 LEU 52 HD21 LEU 52 8.242 28.134 7.362 417 HD22 LEU 52 HD22 LEU 52 8.294 26.486 6.726 418 HD23 LEU 52 HD23 LEU 52 7.383 26.831 8.212 419 H ALA 53 H ALA 53 9.853 24.248 6.176 420 HA ALA 53 HA ALA 53 7.203 24.226 5.108 421 HB1 ALA 53 HB1 ALA 53 8.277 23.354 3.065 422 HB2 ALA 53 HB2 ALA 53 9.236 24.672 3.781 423 HB3 ALA 53 HB3 ALA 53 9.744 22.975 3.996 424 H SER 54 H SER 54 9.075 21.646 6.543 425 HA SER 54 HA SER 54 7.188 19.465 5.835 426 HB2 SER 54 HB2 SER 54 8.596 18.229 7.583 427 HB3 SER 54 HB3 SER 54 9.421 18.770 6.113 428 HG SER 54 HG SER 54 10.328 20.492 7.234 429 H SER 55 H SER 55 8.139 21.178 8.893 430 HA SER 55 HA SER 55 6.218 20.394 10.644 431 HB2 SER 55 HB2 SER 55 6.603 22.245 11.916 432 HB3 SER 55 HB3 SER 55 8.028 22.293 10.875 433 HG SER 55 HG SER 55 6.854 23.797 9.541 434 H LYS 56 H LYS 56 5.639 22.625 7.991 435 HA LYS 56 HA LYS 56 2.974 23.443 8.665 436 HB2 LYS 56 HB2 LYS 56 4.454 23.298 6.021 437 HB3 LYS 56 HB3 LYS 56 2.804 23.922 6.160 438 HG2 LYS 56 HG2 LYS 56 3.548 25.642 7.772 439 HG3 LYS 56 HG3 LYS 56 5.194 25.026 7.706 440 HD2 LYS 56 HD2 LYS 56 5.077 26.985 6.334 441 HD3 LYS 56 HD3 LYS 56 5.314 25.588 5.278 442 HE2 LYS 56 HE2 LYS 56 2.870 25.579 4.749 443 HE3 LYS 56 HE3 LYS 56 2.635 26.962 5.828 444 HZ1 LYS 56 HZ1 LYS 56 4.094 28.256 4.360 445 HZ2 LYS 56 HZ2 LYS 56 4.298 26.974 3.368 446 HZ3 LYS 56 HZ3 LYS 56 2.834 27.660 3.521 447 H GLU 57 H GLU 57 4.006 20.422 7.260 448 HA GLU 57 HA GLU 57 1.241 19.567 6.622 449 HB2 GLU 57 HB2 GLU 57 3.928 18.183 6.506 450 HB3 GLU 57 HB3 GLU 57 2.419 17.384 6.103 451 HG2 GLU 57 HG2 GLU 57 3.367 19.912 4.675 452 HG3 GLU 57 HG3 GLU 57 3.864 18.297 4.184 453 H VAL 58 H VAL 58 3.720 19.123 9.167 454 HA VAL 58 HA VAL 58 2.295 17.059 10.615 455 HB VAL 58 HB VAL 58 4.027 19.057 11.989 456 HG11 VAL 58 HG11 VAL 58 3.695 16.031 12.320 457 HG12 VAL 58 HG12 VAL 58 4.602 17.102 13.393 458 HG13 VAL 58 HG13 VAL 58 2.847 17.242 13.287 459 HG21 VAL 58 HG21 VAL 58 5.370 18.407 10.029 460 HG22 VAL 58 HG22 VAL 58 6.044 17.761 11.528 461 HG23 VAL 58 HG23 VAL 58 5.110 16.696 10.458 462 H LEU 59 H LEU 59 2.340 20.553 10.810 463 HA LEU 59 HA LEU 59 0.820 20.995 13.113 464 HB2 LEU 59 HB2 LEU 59 1.304 22.484 10.558 465 HB3 LEU 59 HB3 LEU 59 0.179 23.158 11.741 466 HG LEU 59 HG LEU 59 2.990 22.328 12.550 467 HD11 LEU 59 HD11 LEU 59 3.666 24.668 12.309 468 HD12 LEU 59 HD12 LEU 59 3.189 23.999 10.750 469 HD13 LEU 59 HD13 LEU 59 2.076 25.082 11.629 470 HD21 LEU 59 HD21 LEU 59 2.521 24.012 14.339 471 HD22 LEU 59 HD22 LEU 59 0.900 24.247 13.674 472 HD23 LEU 59 HD23 LEU 59 1.380 22.668 14.357 473 H ALA 60 H ALA 60 -0.449 20.098 9.967 474 HA ALA 60 HA ALA 60 -3.214 20.502 10.713 475 HB1 ALA 60 HB1 ALA 60 -1.906 18.918 8.443 476 HB2 ALA 60 HB2 ALA 60 -3.624 19.363 8.519 477 HB3 ALA 60 HB3 ALA 60 -2.385 20.632 8.369 478 H LYS 61 H LYS 61 -1.083 17.937 11.505 479 HA LYS 61 HA LYS 61 -3.436 16.526 12.573 480 HB2 LYS 61 HB2 LYS 61 -2.940 14.546 11.947 481 HB3 LYS 61 HB3 LYS 61 -2.091 15.401 10.661 482 HG2 LYS 61 HG2 LYS 61 -0.767 14.216 13.141 483 HG3 LYS 61 HG3 LYS 61 -0.960 13.370 11.613 484 HD2 LYS 61 HD2 LYS 61 0.663 15.855 12.085 485 HD3 LYS 61 HD3 LYS 61 1.306 14.253 11.837 486 HE2 LYS 61 HE2 LYS 61 -0.263 15.882 9.784 487 HE3 LYS 61 HE3 LYS 61 1.479 15.634 9.771 488 HZ1 LYS 61 HZ1 LYS 61 -0.539 13.475 9.398 489 HZ2 LYS 61 HZ2 LYS 61 0.364 14.144 8.228 490 HZ3 LYS 61 HZ3 LYS 61 1.085 13.257 9.377 491 H ILE 62 H ILE 62 -1.046 18.404 13.440 492 HA ILE 62 HA ILE 62 -0.313 17.553 15.974 493 HB ILE 62 HB ILE 62 -0.197 19.847 14.447 494 HG12 ILE 62 HG12 ILE 62 1.042 20.687 16.680 495 HG13 ILE 62 HG13 ILE 62 0.894 18.982 17.065 496 HG21 ILE 62 HG21 ILE 62 -2.269 20.755 15.221 497 HG22 ILE 62 HG22 ILE 62 -1.651 20.760 16.902 498 HG23 ILE 62 HG23 ILE 62 -0.892 21.757 15.633 499 HD11 ILE 62 HD11 ILE 62 1.745 18.673 14.579 500 HD12 ILE 62 HD12 ILE 62 2.286 20.360 14.753 501 HD13 ILE 62 HD13 ILE 62 2.923 19.117 15.855 502 H VAL 63 H VAL 63 -3.518 18.788 14.965 503 HA VAL 63 HA VAL 63 -4.558 18.790 17.688 504 HB VAL 63 HB VAL 63 -6.764 18.187 16.138 505 HG11 VAL 63 HG11 VAL 63 -6.324 19.892 17.969 506 HG12 VAL 63 HG12 VAL 63 -5.756 20.970 16.672 507 HG13 VAL 63 HG13 VAL 63 -7.416 20.368 16.661 508 HG21 VAL 63 HG21 VAL 63 -5.000 19.950 14.437 509 HG22 VAL 63 HG22 VAL 63 -5.692 18.380 13.998 510 HG23 VAL 63 HG23 VAL 63 -6.755 19.772 14.262 511 H ASP 64 H ASP 64 -4.065 16.317 15.345 512 HA ASP 64 HA ASP 64 -6.022 14.558 16.471 513 HB2 ASP 64 HB2 ASP 64 -5.542 14.858 13.986 514 HB3 ASP 64 HB3 ASP 64 -4.034 13.978 14.228 515 H LEU 65 H LEU 65 -2.607 14.954 16.818 516 HA LEU 65 HA LEU 65 -2.518 12.524 18.582 517 HB2 LEU 65 HB2 LEU 65 -0.370 13.676 16.817 518 HB3 LEU 65 HB3 LEU 65 -0.007 12.739 18.263 519 HG LEU 65 HG LEU 65 -1.542 10.886 17.256 520 HD11 LEU 65 HD11 LEU 65 -1.481 10.851 14.770 521 HD12 LEU 65 HD12 LEU 65 -2.490 12.148 15.410 522 HD13 LEU 65 HD13 LEU 65 -0.876 12.531 14.784 523 HD21 LEU 65 HD21 LEU 65 0.377 10.011 15.966 524 HD22 LEU 65 HD22 LEU 65 1.215 11.563 16.254 525 HD23 LEU 65 HD23 LEU 65 0.738 10.519 17.610 526 H LEU 66 H LEU 66 -1.651 16.053 18.445 527 HA LEU 66 HA LEU 66 -0.764 15.937 21.214 528 HB2 LEU 66 HB2 LEU 66 -0.161 17.563 19.131 529 HB3 LEU 66 HB3 LEU 66 -1.387 18.549 19.909 530 HG LEU 66 HG LEU 66 -0.024 18.503 21.999 531 HD11 LEU 66 HD11 LEU 66 2.316 17.831 21.892 532 HD12 LEU 66 HD12 LEU 66 1.306 16.421 21.556 533 HD13 LEU 66 HD13 LEU 66 2.117 17.271 20.222 534 HD21 LEU 66 HD21 LEU 66 1.791 19.978 20.968 535 HD22 LEU 66 HD22 LEU 66 1.173 19.508 19.387 536 HD23 LEU 66 HD23 LEU 66 0.130 20.394 20.526 537 H ALA 67 H ALA 67 -3.510 17.949 19.831 538 HA ALA 67 HA ALA 67 -4.773 18.252 22.362 539 HB1 ALA 67 HB1 ALA 67 -5.876 18.296 19.518 540 HB2 ALA 67 HB2 ALA 67 -6.795 18.822 20.944 541 HB3 ALA 67 HB3 ALA 67 -5.312 19.674 20.477 542 H SER 68 H SER 68 -5.272 15.709 19.995 543 HA SER 68 HA SER 68 -7.556 14.604 21.363 544 HB2 SER 68 HB2 SER 68 -5.920 13.440 19.101 545 HB3 SER 68 HB3 SER 68 -7.505 12.857 19.644 546 HG SER 68 HG SER 68 -6.851 15.373 18.491 547 H ARG 69 H ARG 69 -4.489 14.461 22.377 548 HA ARG 69 HA ARG 69 -4.855 11.866 23.849 549 HB2 ARG 69 HB2 ARG 69 -2.274 13.141 22.888 550 HB3 ARG 69 HB3 ARG 69 -2.380 11.632 23.806 551 HG2 ARG 69 HG2 ARG 69 -3.456 12.030 20.978 552 HG3 ARG 69 HG3 ARG 69 -1.980 11.178 21.414 553 HD2 ARG 69 HD2 ARG 69 -3.220 9.463 22.588 554 HD3 ARG 69 HD3 ARG 69 -4.743 10.324 22.382 555 HE ARG 69 HE ARG 69 -3.160 9.013 20.209 556 HH11 ARG 69 HH11 ARG 69 -6.288 10.443 21.078 557 HH12 ARG 69 HH12 ARG 69 -7.049 9.650 19.714 558 HH21 ARG 69 HH21 ARG 69 -4.221 8.172 18.522 559 HH22 ARG 69 HH22 ARG 69 -5.923 8.479 18.312 560 H ASN 70 H ASN 70 -5.674 14.590 24.494 561 HA ASN 70 HA ASN 70 -5.687 16.123 26.065 562 HB2 ASN 70 HB2 ASN 70 -4.476 14.021 27.874 563 HB3 ASN 70 HB3 ASN 70 -5.206 15.530 28.411 564 HD21 ASN 70 HD21 ASN 70 -7.678 12.532 28.156 565 HD22 ASN 70 HD22 ASN 70 -5.954 12.444 28.499 566 H LYS 71 H LYS 71 -2.898 15.656 24.520 567 HA LYS 71 HA LYS 71 -1.427 17.613 26.087 568 HB2 LYS 71 HB2 LYS 71 -0.473 15.588 24.681 569 HB3 LYS 71 HB3 LYS 71 -0.639 16.681 23.326 570 HG2 LYS 71 HG2 LYS 71 1.629 16.670 24.198 571 HG3 LYS 71 HG3 LYS 71 0.915 18.268 24.361 572 HD2 LYS 71 HD2 LYS 71 2.269 17.651 26.313 573 HD3 LYS 71 HD3 LYS 71 0.593 17.933 26.765 574 HE2 LYS 71 HE2 LYS 71 0.168 15.490 26.844 575 HE3 LYS 71 HE3 LYS 71 1.822 15.175 26.289 576 HZ1 LYS 71 HZ1 LYS 71 2.635 16.217 28.337 577 HZ2 LYS 71 HZ2 LYS 71 1.113 16.487 28.857 578 HZ3 LYS 71 HZ3 LYS 71 1.658 14.966 28.688 579 H TRP 72 H TRP 72 -4.048 18.227 24.923 580 HA TRP 72 HA TRP 72 -4.013 20.272 23.004 581 HB2 TRP 72 HB2 TRP 72 -5.942 21.202 24.615 582 HB3 TRP 72 HB3 TRP 72 -6.119 19.818 23.560 583 HD1 TRP 72 HD1 TRP 72 -7.474 18.088 24.503 584 HE1 TRP 72 HE1 TRP 72 -8.011 17.105 26.785 585 HE3 TRP 72 HE3 TRP 72 -4.402 20.978 27.484 586 HZ2 TRP 72 HZ2 TRP 72 -7.228 17.436 29.516 587 HZ3 TRP 72 HZ3 TRP 72 -4.260 20.533 29.901 588 HH2 TRP 72 HH2 TRP 72 -5.687 18.787 30.947 589 H ASP 73 H ASP 73 -2.673 20.498 26.193 590 HA ASP 73 HA ASP 73 -2.704 23.297 26.607 591 HB2 ASP 73 HB2 ASP 73 -2.058 21.407 28.182 592 HB3 ASP 73 HB3 ASP 73 -0.536 21.264 27.304 593 H ASP 74 H ASP 74 -0.773 21.304 24.440 594 HA ASP 74 HA ASP 74 1.051 23.493 23.774 595 HB2 ASP 74 HB2 ASP 74 1.013 20.565 23.056 596 HB3 ASP 74 HB3 ASP 74 2.212 21.719 22.453 597 H LEU 75 H LEU 75 -2.003 22.449 22.451 598 HA LEU 75 HA LEU 75 -1.561 23.035 19.683 599 HB2 LEU 75 HB2 LEU 75 -3.819 22.589 21.447 600 HB3 LEU 75 HB3 LEU 75 -4.095 23.881 20.280 601 HG LEU 75 HG LEU 75 -4.822 21.591 19.583 602 HD11 LEU 75 HD11 LEU 75 -2.922 23.153 17.840 603 HD12 LEU 75 HD12 LEU 75 -3.826 21.747 17.246 604 HD13 LEU 75 HD13 LEU 75 -4.706 23.139 17.897 605 HD21 LEU 75 HD21 LEU 75 -1.885 20.958 19.202 606 HD22 LEU 75 HD22 LEU 75 -2.906 20.333 20.511 607 HD23 LEU 75 HD23 LEU 75 -3.269 19.933 18.821 608 H ASN 76 H ASN 76 -2.199 25.149 22.414 609 HA ASN 76 HA ASN 76 -2.208 27.669 21.180 610 HB2 ASN 76 HB2 ASN 76 -2.615 27.289 23.533 611 HB3 ASN 76 HB3 ASN 76 -1.008 26.608 23.770 612 HD21 ASN 76 HD21 ASN 76 -0.351 30.535 23.250 613 HD22 ASN 76 HD22 ASN 76 -0.523 29.442 21.889 614 H GLU 77 H GLU 77 0.703 25.664 21.870 615 HA GLU 77 HA GLU 77 2.510 27.719 20.979 616 HB2 GLU 77 HB2 GLU 77 3.266 26.081 22.552 617 HB3 GLU 77 HB3 GLU 77 2.992 24.753 21.408 618 HG2 GLU 77 HG2 GLU 77 4.761 25.417 20.001 619 HG3 GLU 77 HG3 GLU 77 4.789 27.064 20.643 620 H GLN 78 H GLN 78 0.675 25.245 19.336 621 HA GLN 78 HA GLN 78 2.165 25.233 16.856 622 HB2 GLN 78 HB2 GLN 78 -0.787 24.582 17.172 623 HB3 GLN 78 HB3 GLN 78 0.346 23.948 15.995 624 HG2 GLN 78 HG2 GLN 78 0.242 23.411 18.946 625 HG3 GLN 78 HG3 GLN 78 -0.021 22.243 17.714 626 HE21 GLN 78 HE21 GLN 78 3.532 22.357 19.332 627 HE22 GLN 78 HE22 GLN 78 1.987 22.797 20.085 628 H LEU 79 H LEU 79 -0.449 27.213 18.114 629 HA LEU 79 HA LEU 79 -0.799 28.826 15.742 630 HB2 LEU 79 HB2 LEU 79 -1.170 29.649 18.653 631 HB3 LEU 79 HB3 LEU 79 -1.884 30.405 17.240 632 HG LEU 79 HG LEU 79 -2.605 27.726 18.471 633 HD11 LEU 79 HD11 LEU 79 -4.124 30.321 17.904 634 HD12 LEU 79 HD12 LEU 79 -4.827 28.873 18.631 635 HD13 LEU 79 HD13 LEU 79 -3.560 29.761 19.484 636 HD21 LEU 79 HD21 LEU 79 -4.253 27.469 16.604 637 HD22 LEU 79 HD22 LEU 79 -3.485 28.853 15.772 638 HD23 LEU 79 HD23 LEU 79 -2.604 27.335 16.057 639 H THR 80 H THR 80 1.602 28.786 18.261 640 HA THR 80 HA THR 80 2.621 31.505 17.794 641 HB THR 80 HB THR 80 3.162 29.200 19.648 642 HG1 THR 80 HG1 THR 80 1.508 30.464 20.216 643 HG21 THR 80 HG21 THR 80 5.338 29.929 19.336 644 HG22 THR 80 HG22 THR 80 4.872 31.659 19.390 645 HG23 THR 80 HG23 THR 80 4.785 30.651 20.862 646 H LEU 81 H LEU 81 3.573 28.200 16.971 647 HA LEU 81 HA LEU 81 6.176 28.019 16.670 648 HB2 LEU 81 HB2 LEU 81 3.917 26.841 15.363 649 HB3 LEU 81 HB3 LEU 81 5.187 27.088 14.160 650 HG LEU 81 HG LEU 81 6.806 25.971 15.704 651 HD11 LEU 81 HD11 LEU 81 6.030 24.646 17.577 652 HD12 LEU 81 HD12 LEU 81 5.556 26.329 17.858 653 HD13 LEU 81 HD13 LEU 81 4.358 25.154 17.308 654 HD21 LEU 81 HD21 LEU 81 5.442 24.741 13.870 655 HD22 LEU 81 HD22 LEU 81 6.234 23.788 15.125 656 HD23 LEU 81 HD23 LEU 81 4.500 24.061 15.215 657 H LEU 82 H LEU 82 4.630 29.451 13.771 658 HA LEU 82 HA LEU 82 7.332 30.420 12.987 659 HB2 LEU 82 HB2 LEU 82 4.797 31.017 11.462 660 HB3 LEU 82 HB3 LEU 82 6.439 31.084 10.887 661 HG LEU 82 HG LEU 82 4.958 28.516 11.612 662 HD11 LEU 82 HD11 LEU 82 4.966 28.090 9.197 663 HD12 LEU 82 HD12 LEU 82 4.103 29.596 9.552 664 HD13 LEU 82 HD13 LEU 82 5.756 29.657 8.898 665 HD21 LEU 82 HD21 LEU 82 7.412 28.326 11.940 666 HD22 LEU 82 HD22 LEU 82 6.854 27.357 10.578 667 HD23 LEU 82 HD23 LEU 82 7.679 28.911 10.289 668 H SER 83 H SER 83 4.808 31.665 14.823 669 HA SER 83 HA SER 83 5.192 34.519 14.221 670 HB2 SER 83 HB2 SER 83 2.962 33.424 14.814 671 HB3 SER 83 HB3 SER 83 3.585 33.236 16.462 672 HG SER 83 HG SER 83 3.961 35.546 16.422 673 H LYS 84 H LYS 84 6.810 32.213 16.128 674 HA LYS 84 HA LYS 84 7.283 33.323 18.600 675 HB2 LYS 84 HB2 LYS 84 9.165 31.771 16.780 676 HB3 LYS 84 HB3 LYS 84 9.618 32.218 18.425 677 HG2 LYS 84 HG2 LYS 84 7.726 30.995 19.361 678 HG3 LYS 84 HG3 LYS 84 7.152 30.570 17.740 679 HD2 LYS 84 HD2 LYS 84 9.194 29.309 17.287 680 HD3 LYS 84 HD3 LYS 84 9.882 29.761 18.846 681 HE2 LYS 84 HE2 LYS 84 7.258 28.226 18.560 682 HE3 LYS 84 HE3 LYS 84 8.829 27.420 18.609 683 HZ1 LYS 84 HZ1 LYS 84 7.822 29.153 20.810 684 HZ2 LYS 84 HZ2 LYS 84 7.815 27.516 20.830 685 HZ3 LYS 84 HZ3 LYS 84 9.225 28.326 20.800 686 H LYS 85 H LYS 85 9.144 34.226 15.728 687 HA LYS 85 HA LYS 85 9.833 36.858 16.777 688 HB2 LYS 85 HB2 LYS 85 11.464 35.364 17.987 689 HB3 LYS 85 HB3 LYS 85 12.110 34.839 16.429 690 HG2 LYS 85 HG2 LYS 85 12.878 37.133 15.951 691 HG3 LYS 85 HG3 LYS 85 12.054 37.736 17.392 692 HD2 LYS 85 HD2 LYS 85 14.412 37.582 17.838 693 HD3 LYS 85 HD3 LYS 85 13.558 36.396 18.830 694 HE2 LYS 85 HE2 LYS 85 14.195 34.598 17.230 695 HE3 LYS 85 HE3 LYS 85 14.992 35.799 16.199 696 HZ1 LYS 85 HZ1 LYS 85 16.571 34.659 17.640 697 HZ2 LYS 85 HZ2 LYS 85 16.537 36.238 18.019 698 HZ3 LYS 85 HZ3 LYS 85 15.798 35.153 18.982 699 H HIS 86 H HIS 86 10.420 34.390 14.358 700 HA HIS 86 HA HIS 86 11.791 35.810 12.421 701 HB2 HIS 86 HB2 HIS 86 9.912 33.449 12.031 702 HB3 HIS 86 HB3 HIS 86 11.269 33.891 10.996 703 HD2 HIS 86 HD2 HIS 86 13.700 33.134 11.757 704 HE1 HIS 86 HE1 HIS 86 12.759 31.565 15.611 705 HE2 HIS 86 HE2 HIS 86 14.598 31.857 13.880 706 H GLY 87 H GLY 87 11.121 36.158 10.131 707 HA2 GLY 87 HA2 GLY 87 9.578 38.484 10.088 708 HA3 GLY 87 HA3 GLY 87 10.201 37.636 8.676 709 H GLN 88 H GLN 88 8.151 35.353 9.839 710 HA GLN 88 HA GLN 88 6.017 35.947 7.996 711 HB2 GLN 88 HB2 GLN 88 6.226 33.913 10.263 712 HB3 GLN 88 HB3 GLN 88 4.867 34.039 9.151 713 HG2 GLN 88 HG2 GLN 88 6.160 32.317 8.264 714 HG3 GLN 88 HG3 GLN 88 6.473 33.694 7.225 715 HE21 GLN 88 HE21 GLN 88 9.807 32.317 7.625 716 HE22 GLN 88 HE22 GLN 88 8.353 32.145 6.648 717 H LEU 89 H LEU 89 4.521 37.473 8.245 718 HA LEU 89 HA LEU 89 3.736 38.678 10.724 719 HB2 LEU 89 HB2 LEU 89 2.120 39.882 9.397 720 HB3 LEU 89 HB3 LEU 89 3.653 39.821 8.568 721 HG LEU 89 HG LEU 89 2.464 37.667 7.375 722 HD11 LEU 89 HD11 LEU 89 0.295 38.011 8.595 723 HD12 LEU 89 HD12 LEU 89 0.174 39.628 7.898 724 HD13 LEU 89 HD13 LEU 89 0.120 38.191 6.854 725 HD21 LEU 89 HD21 LEU 89 1.904 39.166 5.510 726 HD22 LEU 89 HD22 LEU 89 2.059 40.579 6.580 727 HD23 LEU 89 HD23 LEU 89 3.477 39.569 6.213 728 H LYS 90 H LYS 90 1.947 38.341 11.984 729 HA LYS 90 HA LYS 90 1.239 35.670 12.389 730 HB2 LYS 90 HB2 LYS 90 1.048 37.488 14.086 731 HB3 LYS 90 HB3 LYS 90 -0.447 38.036 13.282 732 HG2 LYS 90 HG2 LYS 90 -0.649 36.731 15.408 733 HG3 LYS 90 HG3 LYS 90 -1.693 36.319 14.060 734 HD2 LYS 90 HD2 LYS 90 -0.617 34.258 13.661 735 HD3 LYS 90 HD3 LYS 90 0.859 34.737 14.526 736 HE2 LYS 90 HE2 LYS 90 -0.036 34.380 16.617 737 HE3 LYS 90 HE3 LYS 90 -1.678 34.819 16.100 738 HZ1 LYS 90 HZ1 LYS 90 -1.980 32.710 15.106 739 HZ2 LYS 90 HZ2 LYS 90 -0.408 32.209 15.464 740 HZ3 LYS 90 HZ3 LYS 90 -1.497 32.477 16.638 741 H LEU 91 H LEU 91 -0.733 38.039 10.547 742 HA LEU 91 HA LEU 91 -2.856 36.258 10.097 743 HB2 LEU 91 HB2 LEU 91 -2.071 38.886 9.107 744 HB3 LEU 91 HB3 LEU 91 -2.775 37.923 7.830 745 HG LEU 91 HG LEU 91 -4.453 39.281 8.920 746 HD11 LEU 91 HD11 LEU 91 -4.941 36.352 9.635 747 HD12 LEU 91 HD12 LEU 91 -6.149 37.616 9.367 748 HD13 LEU 91 HD13 LEU 91 -5.132 37.074 8.025 749 HD21 LEU 91 HD21 LEU 91 -5.159 38.951 11.229 750 HD22 LEU 91 HD22 LEU 91 -3.871 37.765 11.496 751 HD23 LEU 91 HD23 LEU 91 -3.470 39.464 11.167 752 H SER 92 H SER 92 0.267 35.932 8.795 753 HA SER 92 HA SER 92 -0.542 34.300 6.484 754 HB2 SER 92 HB2 SER 92 1.579 35.640 6.533 755 HB3 SER 92 HB3 SER 92 2.141 34.635 7.881 756 HG SER 92 HG SER 92 1.626 33.852 5.203 757 H ILE 93 H ILE 93 0.777 33.813 9.771 758 HA ILE 93 HA ILE 93 0.449 30.884 9.529 759 HB ILE 93 HB ILE 93 2.510 31.800 10.386 760 HG12 ILE 93 HG12 ILE 93 1.346 29.522 11.134 761 HG13 ILE 93 HG13 ILE 93 2.929 30.005 11.642 762 HG21 ILE 93 HG21 ILE 93 1.809 33.770 11.529 763 HG22 ILE 93 HG22 ILE 93 0.975 32.802 12.776 764 HG23 ILE 93 HG23 ILE 93 2.749 32.744 12.606 765 HD11 ILE 93 HD11 ILE 93 2.155 30.707 13.829 766 HD12 ILE 93 HD12 ILE 93 0.467 30.360 13.369 767 HD13 ILE 93 HD13 ILE 93 1.653 29.044 13.479 768 H GLN 94 H GLN 94 -1.501 33.476 10.620 769 HA GLN 94 HA GLN 94 -2.991 32.318 12.633 770 HB2 GLN 94 HB2 GLN 94 -3.610 34.321 10.512 771 HB3 GLN 94 HB3 GLN 94 -5.003 33.552 11.289 772 HG2 GLN 94 HG2 GLN 94 -2.814 34.976 12.786 773 HG3 GLN 94 HG3 GLN 94 -4.412 35.633 12.426 774 HE21 GLN 94 HE21 GLN 94 -6.036 33.667 14.956 775 HE22 GLN 94 HE22 GLN 94 -6.320 34.528 13.459 776 H TYR 95 H TYR 95 -3.042 31.654 9.189 777 HA TYR 95 HA TYR 95 -5.175 29.978 8.672 778 HB2 TYR 95 HB2 TYR 95 -3.364 30.559 7.115 779 HB3 TYR 95 HB3 TYR 95 -2.224 29.577 8.022 780 HD1 TYR 95 HD1 TYR 95 -4.881 29.574 5.509 781 HD2 TYR 95 HD2 TYR 95 -2.367 27.076 7.978 782 HE1 TYR 95 HE1 TYR 95 -5.404 27.612 4.061 783 HE2 TYR 95 HE2 TYR 95 -2.901 25.118 6.534 784 HH TYR 95 HH TYR 95 -5.032 25.399 3.680 785 H MET 96 H MET 96 -2.374 29.128 10.759 786 HA MET 96 HA MET 96 -2.967 26.321 11.062 787 HB2 MET 96 HB2 MET 96 -1.499 28.302 12.848 788 HB3 MET 96 HB3 MET 96 -1.436 26.535 13.019 789 HG2 MET 96 HG2 MET 96 -0.425 28.145 10.648 790 HG3 MET 96 HG3 MET 96 0.561 27.311 11.849 791 HE1 MET 96 HE1 MET 96 1.867 26.441 9.617 792 HE2 MET 96 HE2 MET 96 1.085 25.454 8.359 793 HE3 MET 96 HE3 MET 96 0.646 27.166 8.549 794 H ILE 97 H ILE 97 -4.298 29.202 12.571 795 HA ILE 97 HA ILE 97 -5.421 27.882 14.842 796 HB ILE 97 HB ILE 97 -5.279 30.484 14.218 797 HG12 ILE 97 HG12 ILE 97 -7.518 29.355 15.957 798 HG13 ILE 97 HG13 ILE 97 -5.824 29.268 16.401 799 HG21 ILE 97 HG21 ILE 97 -7.441 31.445 13.691 800 HG22 ILE 97 HG22 ILE 97 -7.128 30.228 12.448 801 HG23 ILE 97 HG23 ILE 97 -8.234 29.856 13.788 802 HD11 ILE 97 HD11 ILE 97 -5.645 31.755 16.251 803 HD12 ILE 97 HD12 ILE 97 -7.406 31.811 16.020 804 HD13 ILE 97 HD13 ILE 97 -6.730 31.098 17.515 805 H GLN 98 H GLN 98 -6.372 27.643 11.510 806 HA GLN 98 HA GLN 98 -9.028 26.702 11.923 807 HB2 GLN 98 HB2 GLN 98 -6.924 25.882 9.890 808 HB3 GLN 98 HB3 GLN 98 -8.615 25.387 9.818 809 HG2 GLN 98 HG2 GLN 98 -9.383 27.674 9.547 810 HG3 GLN 98 HG3 GLN 98 -7.766 28.321 9.834 811 HE21 GLN 98 HE21 GLN 98 -6.510 27.290 6.586 812 HE22 GLN 98 HE22 GLN 98 -6.013 27.317 8.276 813 H LYS 99 H LYS 99 -5.937 25.216 12.730 814 HA LYS 99 HA LYS 99 -7.111 22.562 13.261 815 HB2 LYS 99 HB2 LYS 99 -4.326 23.645 13.888 816 HB3 LYS 99 HB3 LYS 99 -4.821 21.984 13.969 817 HG2 LYS 99 HG2 LYS 99 -4.585 23.722 11.481 818 HG3 LYS 99 HG3 LYS 99 -3.634 22.307 11.878 819 HD2 LYS 99 HD2 LYS 99 -5.490 20.808 11.436 820 HD3 LYS 99 HD3 LYS 99 -6.641 22.145 11.344 821 HE2 LYS 99 HE2 LYS 99 -5.538 23.058 9.362 822 HE3 LYS 99 HE3 LYS 99 -4.437 21.678 9.321 823 HZ1 LYS 99 HZ1 LYS 99 -7.415 21.408 9.243 824 HZ2 LYS 99 HZ2 LYS 99 -6.477 21.437 7.897 825 HZ3 LYS 99 HZ3 LYS 99 -6.337 20.221 8.978 826 H VAL 100 H VAL 100 -6.075 25.353 15.278 827 HA VAL 100 HA VAL 100 -7.038 24.099 17.658 828 HB VAL 100 HB VAL 100 -6.358 26.836 16.708 829 HG11 VAL 100 HG11 VAL 100 -8.483 27.456 17.741 830 HG12 VAL 100 HG12 VAL 100 -7.962 26.711 19.268 831 HG13 VAL 100 HG13 VAL 100 -7.098 28.111 18.594 832 HG21 VAL 100 HG21 VAL 100 -5.777 25.166 19.197 833 HG22 VAL 100 HG22 VAL 100 -4.723 25.376 17.793 834 HG23 VAL 100 HG23 VAL 100 -5.035 26.732 18.891 835 H MET 101 H MET 101 -8.733 26.123 15.282 836 HA MET 101 HA MET 101 -11.310 25.745 16.402 837 HB2 MET 101 HB2 MET 101 -10.510 26.432 13.566 838 HB3 MET 101 HB3 MET 101 -12.146 26.551 14.215 839 HG2 MET 101 HG2 MET 101 -11.177 28.113 16.003 840 HG3 MET 101 HG3 MET 101 -9.737 28.217 15.006 841 HE1 MET 101 HE1 MET 101 -11.194 29.854 11.691 842 HE2 MET 101 HE2 MET 101 -9.802 29.026 12.425 843 HE3 MET 101 HE3 MET 101 -11.253 28.104 11.979 844 H GLU 102 H GLU 102 -9.430 23.329 15.165 845 HA GLU 102 HA GLU 102 -11.772 21.785 14.273 846 HB2 GLU 102 HB2 GLU 102 -8.833 21.302 13.846 847 HB3 GLU 102 HB3 GLU 102 -9.939 19.933 13.885 848 HG2 GLU 102 HG2 GLU 102 -11.259 20.756 12.084 849 HG3 GLU 102 HG3 GLU 102 -10.434 22.304 12.069 850 H TYR 103 H TYR 103 -9.175 20.213 16.153 851 HA TYR 103 HA TYR 103 -11.441 18.873 17.472 852 HB2 TYR 103 HB2 TYR 103 -8.491 18.220 17.467 853 HB3 TYR 103 HB3 TYR 103 -9.683 17.340 18.386 854 HD1 TYR 103 HD1 TYR 103 -11.159 15.743 17.410 855 HD2 TYR 103 HD2 TYR 103 -8.644 18.173 14.881 856 HE1 TYR 103 HE1 TYR 103 -11.708 14.298 15.460 857 HE2 TYR 103 HE2 TYR 103 -9.185 16.727 12.943 858 HH TYR 103 HH TYR 103 -10.344 14.913 12.208 859 H LEU 104 H LEU 104 -8.802 20.975 18.279 860 HA LEU 104 HA LEU 104 -8.924 20.860 21.123 861 HB2 LEU 104 HB2 LEU 104 -7.027 21.462 19.786 862 HB3 LEU 104 HB3 LEU 104 -7.873 22.777 19.028 863 HG LEU 104 HG LEU 104 -6.114 23.479 20.566 864 HD11 LEU 104 HD11 LEU 104 -8.409 24.740 20.149 865 HD12 LEU 104 HD12 LEU 104 -8.749 24.338 21.839 866 HD13 LEU 104 HD13 LEU 104 -7.319 25.291 21.431 867 HD21 LEU 104 HD21 LEU 104 -6.385 23.283 22.985 868 HD22 LEU 104 HD22 LEU 104 -7.849 22.294 22.775 869 HD23 LEU 104 HD23 LEU 104 -6.275 21.694 22.199 870 H LYS 105 H LYS 105 -10.637 22.957 18.742 871 HA LYS 105 HA LYS 105 -12.387 24.144 20.728 872 HB2 LYS 105 HB2 LYS 105 -12.235 24.103 17.712 873 HB3 LYS 105 HB3 LYS 105 -13.756 24.517 18.490 874 HG2 LYS 105 HG2 LYS 105 -12.271 26.138 20.001 875 HG3 LYS 105 HG3 LYS 105 -11.146 26.030 18.640 876 HD2 LYS 105 HD2 LYS 105 -13.000 26.743 17.116 877 HD3 LYS 105 HD3 LYS 105 -14.107 26.751 18.499 878 HE2 LYS 105 HE2 LYS 105 -12.751 28.505 19.611 879 HE3 LYS 105 HE3 LYS 105 -11.631 28.535 18.245 880 HZ1 LYS 105 HZ1 LYS 105 -13.292 30.308 18.095 881 HZ2 LYS 105 HZ2 LYS 105 -13.496 29.298 16.839 882 HZ3 LYS 105 HZ3 LYS 105 -14.517 29.244 18.106 883 H SER 106 H SER 106 -12.976 21.653 18.274 884 HA SER 106 HA SER 106 -15.634 21.072 18.956 885 HB2 SER 106 HB2 SER 106 -13.631 19.067 17.865 886 HB3 SER 106 HB3 SER 106 -15.395 18.927 17.814 887 HG SER 106 HG SER 106 -13.703 20.764 16.500 888 H SER 107 H SER 107 -12.877 20.149 20.836 889 HA SER 107 HA SER 107 -14.051 18.086 22.434 890 HB2 SER 107 HB2 SER 107 -11.921 20.166 23.090 891 HB3 SER 107 HB3 SER 107 -12.338 18.770 24.097 892 HG SER 107 HG SER 107 -11.306 18.751 21.437 893 H LYS 108 H LYS 108 -16.227 18.818 22.667 894 HA LYS 108 HA LYS 108 -17.040 21.317 23.644 895 HB2 LYS 108 HB2 LYS 108 -19.256 20.397 23.729 896 HB3 LYS 108 HB3 LYS 108 -18.413 19.818 22.296 897 HG2 LYS 108 HG2 LYS 108 -17.939 17.648 23.474 898 HG3 LYS 108 HG3 LYS 108 -18.860 18.215 24.867 899 HD2 LYS 108 HD2 LYS 108 -19.977 17.887 22.048 900 HD3 LYS 108 HD3 LYS 108 -20.129 16.698 23.350 901 HE2 LYS 108 HE2 LYS 108 -21.341 18.367 24.744 902 HE3 LYS 108 HE3 LYS 108 -21.240 19.544 23.426 903 HZ1 LYS 108 HZ1 LYS 108 -22.647 16.937 23.270 904 HZ2 LYS 108 HZ2 LYS 108 -23.363 18.391 23.407 905 HZ3 LYS 108 HZ3 LYS 108 -22.539 18.015 22.052 906 H SER 109 H SER 109 -15.792 18.829 25.589 907 HA SER 109 HA SER 109 -16.715 20.201 28.029 908 HB2 SER 109 HB2 SER 109 -16.234 17.217 27.755 909 HB3 SER 109 HB3 SER 109 -16.744 18.057 29.225 910 HG SER 109 HG SER 109 -18.678 18.584 28.237 911 H LEU 110 H LEU 110 -14.347 20.776 26.520 912 HA LEU 110 HA LEU 110 -12.025 19.779 27.841 913 HB2 LEU 110 HB2 LEU 110 -12.107 20.827 25.557 914 HB3 LEU 110 HB3 LEU 110 -12.433 22.387 26.317 915 HG LEU 110 HG LEU 110 -10.212 22.384 27.378 916 HD11 LEU 110 HD11 LEU 110 -9.783 20.035 27.795 917 HD12 LEU 110 HD12 LEU 110 -9.952 19.639 26.067 918 HD13 LEU 110 HD13 LEU 110 -8.575 20.583 26.645 919 HD21 LEU 110 HD21 LEU 110 -8.843 22.469 25.290 920 HD22 LEU 110 HD22 LEU 110 -10.172 21.693 24.409 921 HD23 LEU 110 HD23 LEU 110 -10.389 23.306 25.131 922 H ASP 111 H ASP 111 -10.865 20.570 29.519 923 HA ASP 111 HA ASP 111 -12.057 21.957 31.613 924 HB2 ASP 111 HB2 ASP 111 -9.062 21.830 31.130 925 HB3 ASP 111 HB3 ASP 111 -9.908 22.057 32.660 926 H LEU 112 H LEU 112 -12.132 23.958 32.322 927 HA LEU 112 HA LEU 112 -12.186 26.097 30.486 928 HB2 LEU 112 HB2 LEU 112 -12.253 25.959 33.518 929 HB3 LEU 112 HB3 LEU 112 -12.086 27.511 32.724 930 HG LEU 112 HG LEU 112 -14.181 27.169 31.466 931 HD11 LEU 112 HD11 LEU 112 -14.458 24.602 33.092 932 HD12 LEU 112 HD12 LEU 112 -15.750 25.361 32.139 933 HD13 LEU 112 HD13 LEU 112 -14.321 24.731 31.319 934 HD21 LEU 112 HD21 LEU 112 -15.709 27.427 33.374 935 HD22 LEU 112 HD22 LEU 112 -14.481 26.752 34.468 936 HD23 LEU 112 HD23 LEU 112 -14.201 28.311 33.651 937 H ASN 113 H ASN 113 -9.698 25.454 32.960 938 HA ASN 113 HA ASN 113 -8.232 27.776 32.395 939 HB2 ASN 113 HB2 ASN 113 -7.091 25.129 33.421 940 HB3 ASN 113 HB3 ASN 113 -6.437 26.742 33.708 941 HD21 ASN 113 HD21 ASN 113 -8.864 27.488 36.260 942 HD22 ASN 113 HD22 ASN 113 -7.741 28.216 35.119 943 H THR 114 H THR 114 -8.129 24.589 30.802 944 HA THR 114 HA THR 114 -5.775 25.078 29.180 945 HB THR 114 HB THR 114 -8.057 23.073 29.221 946 HG1 THR 114 HG1 THR 114 -6.153 21.725 29.462 947 HG21 THR 114 HG21 THR 114 -5.828 23.163 27.168 948 HG22 THR 114 HG22 THR 114 -6.984 21.825 27.439 949 HG23 THR 114 HG23 THR 114 -7.576 23.387 26.876 950 H ARG 115 H ARG 115 -9.320 25.139 28.516 951 HA ARG 115 HA ARG 115 -9.114 26.180 25.872 952 HB2 ARG 115 HB2 ARG 115 -11.132 25.186 26.757 953 HB3 ARG 115 HB3 ARG 115 -11.319 26.469 27.959 954 HG2 ARG 115 HG2 ARG 115 -11.997 28.074 26.407 955 HG3 ARG 115 HG3 ARG 115 -11.108 27.344 25.062 956 HD2 ARG 115 HD2 ARG 115 -13.411 25.948 26.394 957 HD3 ARG 115 HD3 ARG 115 -13.655 27.083 25.040 958 HE ARG 115 HE ARG 115 -11.751 25.442 23.995 959 HH11 ARG 115 HH11 ARG 115 -14.859 24.668 25.444 960 HH12 ARG 115 HH12 ARG 115 -14.934 23.116 24.647 961 HH21 ARG 115 HH21 ARG 115 -11.952 23.343 23.035 962 HH22 ARG 115 HH22 ARG 115 -13.412 22.449 23.390 963 H ILE 116 H ILE 116 -9.589 27.986 28.894 964 HA ILE 116 HA ILE 116 -9.474 30.600 27.919 965 HB ILE 116 HB ILE 116 -8.565 29.323 30.461 966 HG12 ILE 116 HG12 ILE 116 -10.518 31.593 29.829 967 HG13 ILE 116 HG13 ILE 116 -10.969 29.892 29.810 968 HG21 ILE 116 HG21 ILE 116 -7.925 32.217 29.756 969 HG22 ILE 116 HG22 ILE 116 -7.933 31.547 31.411 970 HG23 ILE 116 HG23 ILE 116 -6.816 30.890 30.215 971 HD11 ILE 116 HD11 ILE 116 -10.325 29.685 32.220 972 HD12 ILE 116 HD12 ILE 116 -10.043 31.442 32.258 973 HD13 ILE 116 HD13 ILE 116 -11.663 30.817 31.917 974 H SER 117 H SER 117 -6.756 28.407 28.465 975 HA SER 117 HA SER 117 -4.708 30.371 28.104 976 HB2 SER 117 HB2 SER 117 -4.508 27.356 27.770 977 HB3 SER 117 HB3 SER 117 -3.152 28.486 27.850 978 HG SER 117 HG SER 117 -5.075 27.937 29.882 979 H VAL 118 H VAL 118 -6.649 28.676 25.783 980 HA VAL 118 HA VAL 118 -4.929 29.557 23.529 981 HB VAL 118 HB VAL 118 -5.282 27.260 23.567 982 HG11 VAL 118 HG11 VAL 118 -7.433 26.119 23.436 983 HG12 VAL 118 HG12 VAL 118 -7.288 27.063 24.901 984 HG13 VAL 118 HG13 VAL 118 -8.297 27.657 23.551 985 HG21 VAL 118 HG21 VAL 118 -5.953 26.970 21.297 986 HG22 VAL 118 HG22 VAL 118 -7.097 28.337 21.372 987 HG23 VAL 118 HG23 VAL 118 -5.356 28.630 21.389 988 H ILE 119 H ILE 119 -8.257 29.930 24.809 989 HA ILE 119 HA ILE 119 -9.090 31.616 22.659 990 HB ILE 119 HB ILE 119 -10.324 30.096 24.488 991 HG12 ILE 119 HG12 ILE 119 -12.439 31.287 24.081 992 HG13 ILE 119 HG13 ILE 119 -11.531 32.592 23.284 993 HG21 ILE 119 HG21 ILE 119 -10.905 32.727 25.796 994 HG22 ILE 119 HG22 ILE 119 -11.165 31.051 26.373 995 HG23 ILE 119 HG23 ILE 119 -9.531 31.740 26.298 996 HD11 ILE 119 HD11 ILE 119 -11.384 29.659 22.456 997 HD12 ILE 119 HD12 ILE 119 -12.525 30.823 21.736 998 HD13 ILE 119 HD13 ILE 119 -10.776 31.055 21.541 999 H GLU 120 H GLU 120 -7.188 32.275 25.460 1000 HA GLU 120 HA GLU 120 -7.551 35.170 25.223 1001 HB2 GLU 120 HB2 GLU 120 -7.701 33.915 27.358 1002 HB3 GLU 120 HB3 GLU 120 -5.989 33.530 27.249 1003 HG2 GLU 120 HG2 GLU 120 -6.973 36.404 27.142 1004 HG3 GLU 120 HG3 GLU 120 -6.934 35.510 28.679 1005 H THR 121 H THR 121 -4.859 32.803 24.930 1006 HA THR 121 HA THR 121 -2.757 34.591 24.426 1007 HB THR 121 HB THR 121 -2.568 32.122 24.768 1008 HG1 THR 121 HG1 THR 121 -0.821 33.299 23.963 1009 HG21 THR 121 HG21 THR 121 -3.004 30.550 23.084 1010 HG22 THR 121 HG22 THR 121 -4.352 31.667 22.854 1011 HG23 THR 121 HG23 THR 121 -2.948 31.746 21.776 1012 H ILE 122 H ILE 122 -4.978 33.177 22.033 1013 HA ILE 122 HA ILE 122 -4.194 34.337 19.663 1014 HB ILE 122 HB ILE 122 -5.815 32.633 19.919 1015 HG12 ILE 122 HG12 ILE 122 -5.949 33.929 17.844 1016 HG13 ILE 122 HG13 ILE 122 -7.410 33.084 18.331 1017 HG21 ILE 122 HG21 ILE 122 -8.079 32.928 20.731 1018 HG22 ILE 122 HG22 ILE 122 -6.891 33.311 21.975 1019 HG23 ILE 122 HG23 ILE 122 -7.750 34.625 21.145 1020 HD11 ILE 122 HD11 ILE 122 -7.029 36.097 18.495 1021 HD12 ILE 122 HD12 ILE 122 -7.986 35.205 17.319 1022 HD13 ILE 122 HD13 ILE 122 -8.472 35.206 19.019 1023 H ARG 123 H ARG 123 -6.076 35.940 22.266 1024 HA ARG 123 HA ARG 123 -6.574 38.386 20.752 1025 HB2 ARG 123 HB2 ARG 123 -6.601 37.897 23.781 1026 HB3 ARG 123 HB3 ARG 123 -7.163 39.351 22.958 1027 HG2 ARG 123 HG2 ARG 123 -8.898 38.039 21.762 1028 HG3 ARG 123 HG3 ARG 123 -8.317 36.557 22.529 1029 HD2 ARG 123 HD2 ARG 123 -10.257 37.264 23.720 1030 HD3 ARG 123 HD3 ARG 123 -8.854 37.502 24.769 1031 HE ARG 123 HE ARG 123 -9.505 39.915 23.288 1032 HH11 ARG 123 HH11 ARG 123 -10.576 38.118 26.103 1033 HH12 ARG 123 HH12 ARG 123 -11.242 39.545 26.853 1034 HH21 ARG 123 HH21 ARG 123 -10.364 41.669 24.314 1035 HH22 ARG 123 HH22 ARG 123 -11.134 41.478 25.869 1036 H VAL 124 H VAL 124 -4.200 37.508 23.272 1037 HA VAL 124 HA VAL 124 -2.722 39.938 23.220 1038 HB VAL 124 HB VAL 124 -1.696 37.139 23.863 1039 HG11 VAL 124 HG11 VAL 124 0.163 38.728 23.613 1040 HG12 VAL 124 HG12 VAL 124 -0.653 39.874 24.699 1041 HG13 VAL 124 HG13 VAL 124 -0.069 38.311 25.311 1042 HG21 VAL 124 HG21 VAL 124 -2.984 39.228 25.670 1043 HG22 VAL 124 HG22 VAL 124 -3.637 37.627 25.253 1044 HG23 VAL 124 HG23 VAL 124 -2.174 37.744 26.223 1045 H VAL 125 H VAL 125 -2.046 36.939 21.370 1046 HA VAL 125 HA VAL 125 0.234 38.171 20.124 1047 HB VAL 125 HB VAL 125 -0.036 35.737 20.597 1048 HG11 VAL 125 HG11 VAL 125 -1.649 35.680 18.015 1049 HG12 VAL 125 HG12 VAL 125 -1.141 34.288 19.014 1050 HG13 VAL 125 HG13 VAL 125 -2.316 35.450 19.633 1051 HG21 VAL 125 HG21 VAL 125 1.776 36.583 19.166 1052 HG22 VAL 125 HG22 VAL 125 1.224 34.991 18.633 1053 HG23 VAL 125 HG23 VAL 125 0.743 36.451 17.733 1054 H THR 126 H THR 126 -3.175 37.833 18.987 1055 HA THR 126 HA THR 126 -2.396 38.829 16.324 1056 HB THR 126 HB THR 126 -4.680 38.695 15.671 1057 HG1 THR 126 HG1 THR 126 -5.281 37.762 18.262 1058 HG21 THR 126 HG21 THR 126 -3.493 36.597 15.529 1059 HG22 THR 126 HG22 THR 126 -3.884 36.195 17.214 1060 HG23 THR 126 HG23 THR 126 -5.174 36.304 16.006 1061 H GLU 127 H GLU 127 -4.066 40.301 19.179 1062 HA GLU 127 HA GLU 127 -4.318 42.880 17.795 1063 HB2 GLU 127 HB2 GLU 127 -4.468 42.235 20.768 1064 HB3 GLU 127 HB3 GLU 127 -4.909 43.760 20.021 1065 HG2 GLU 127 HG2 GLU 127 -6.312 41.084 19.569 1066 HG3 GLU 127 HG3 GLU 127 -6.880 42.403 20.582 1067 H ASN 128 H ASN 128 -1.897 41.262 19.722 1068 HA ASN 128 HA ASN 128 0.210 41.680 20.229 1069 HB2 ASN 128 HB2 ASN 128 -0.093 41.812 17.562 1070 HB3 ASN 128 HB3 ASN 128 0.622 43.403 17.812 1071 HD21 ASN 128 HD21 ASN 128 2.768 39.997 18.713 1072 HD22 ASN 128 HD22 ASN 128 1.002 39.949 18.665 1073 H LYS 129 H LYS 129 -1.382 43.340 21.702 1074 HA LYS 129 HA LYS 129 -0.261 46.004 21.920 1075 HB2 LYS 129 HB2 LYS 129 -2.595 45.029 22.663 1076 HB3 LYS 129 HB3 LYS 129 -1.749 44.551 24.119 1077 HG2 LYS 129 HG2 LYS 129 -2.886 46.634 24.497 1078 HG3 LYS 129 HG3 LYS 129 -1.158 46.925 24.562 1079 HD2 LYS 129 HD2 LYS 129 -2.303 48.747 23.435 1080 HD3 LYS 129 HD3 LYS 129 -1.203 47.946 22.315 1081 HE2 LYS 129 HE2 LYS 129 -3.118 46.707 21.307 1082 HE3 LYS 129 HE3 LYS 129 -4.218 47.448 22.478 1083 HZ1 LYS 129 HZ1 LYS 129 -4.255 48.626 20.360 1084 HZ2 LYS 129 HZ2 LYS 129 -3.674 49.613 21.510 1085 HZ3 LYS 129 HZ3 LYS 129 -2.658 48.934 20.433 1086 H ILE 130 H ILE 130 1.278 43.212 22.567 1087 HA ILE 130 HA ILE 130 2.618 43.569 25.028 1088 HB ILE 130 HB ILE 130 4.302 42.013 24.035 1089 HG12 ILE 130 HG12 ILE 130 2.545 42.093 21.533 1090 HG13 ILE 130 HG13 ILE 130 4.149 42.799 21.681 1091 HG21 ILE 130 HG21 ILE 130 1.434 41.093 23.620 1092 HG22 ILE 130 HG22 ILE 130 2.850 40.101 24.024 1093 HG23 ILE 130 HG23 ILE 130 2.234 41.257 25.201 1094 HD11 ILE 130 HD11 ILE 130 5.061 40.495 22.184 1095 HD12 ILE 130 HD12 ILE 130 3.448 39.846 21.798 1096 HD13 ILE 130 HD13 ILE 130 4.381 40.694 20.556 1097 H PHE 131 H PHE 131 4.879 43.959 25.316 1098 HA PHE 131 HA PHE 131 5.662 46.548 24.250 1099 HB2 PHE 131 HB2 PHE 131 5.516 45.997 26.704 1100 HB3 PHE 131 HB3 PHE 131 6.911 44.944 26.505 1101 HD1 PHE 131 HD1 PHE 131 5.808 48.494 25.823 1102 HD2 PHE 131 HD2 PHE 131 9.043 45.876 26.964 1103 HE1 PHE 131 HE1 PHE 131 7.255 50.462 26.237 1104 HE2 PHE 131 HE2 PHE 131 10.486 47.852 27.394 1105 HZ PHE 131 HZ PHE 131 9.595 50.146 27.030 1106 H VAL 132 H VAL 132 5.895 44.244 22.541 1107 HA VAL 132 HA VAL 132 8.601 43.402 22.180 1108 HB VAL 132 HB VAL 132 6.588 42.217 21.393 1109 HG11 VAL 132 HG11 VAL 132 5.547 42.755 19.252 1110 HG12 VAL 132 HG12 VAL 132 5.397 44.165 20.318 1111 HG13 VAL 132 HG13 VAL 132 6.616 44.157 19.045 1112 HG21 VAL 132 HG21 VAL 132 8.535 42.589 19.114 1113 HG22 VAL 132 HG22 VAL 132 8.837 41.604 20.569 1114 HG23 VAL 132 HG23 VAL 132 7.515 41.195 19.473 1115 H GLU 133 H GLU 133 9.758 43.783 20.202 1116 HA GLU 133 HA GLU 133 10.427 46.541 20.084 1117 HB2 GLU 133 HB2 GLU 133 12.319 45.936 18.719 1118 HB3 GLU 133 HB3 GLU 133 12.172 44.840 20.105 1119 HG2 GLU 133 HG2 GLU 133 10.964 43.233 18.556 1120 HG3 GLU 133 HG3 GLU 133 11.396 44.306 17.217 1121 H VAL 134 H VAL 134 10.454 47.960 18.416 1122 HA VAL 134 HA VAL 134 8.364 47.764 16.472 1123 HB VAL 134 HB VAL 134 8.995 49.797 17.790 1124 HG11 VAL 134 HG11 VAL 134 11.192 50.157 15.709 1125 HG12 VAL 134 HG12 VAL 134 10.718 51.303 16.979 1126 HG13 VAL 134 HG13 VAL 134 11.443 49.748 17.425 1127 HG21 VAL 134 HG21 VAL 134 8.808 50.354 14.814 1128 HG22 VAL 134 HG22 VAL 134 7.445 49.910 15.866 1129 HG23 VAL 134 HG23 VAL 134 8.341 51.409 16.158 1130 H GLU 135 H GLU 135 10.532 45.928 16.165 1131 HA GLU 135 HA GLU 135 10.911 46.127 13.288 1132 HB2 GLU 135 HB2 GLU 135 13.196 45.460 15.186 1133 HB3 GLU 135 HB3 GLU 135 13.298 45.288 13.443 1134 HG2 GLU 135 HG2 GLU 135 12.926 47.924 14.937 1135 HG3 GLU 135 HG3 GLU 135 14.431 47.299 14.295 1136 H ARG 136 H ARG 136 9.322 44.689 15.243 1137 HA ARG 136 HA ARG 136 9.757 41.835 14.899 1138 HB2 ARG 136 HB2 ARG 136 7.580 41.582 15.932 1139 HB3 ARG 136 HB3 ARG 136 8.522 42.800 16.772 1140 HG2 ARG 136 HG2 ARG 136 6.502 43.868 16.728 1141 HG3 ARG 136 HG3 ARG 136 7.181 44.510 15.238 1142 HD2 ARG 136 HD2 ARG 136 5.921 42.545 14.054 1143 HD3 ARG 136 HD3 ARG 136 5.135 42.282 15.605 1144 HE ARG 136 HE ARG 136 3.843 44.187 15.282 1145 HH11 ARG 136 HH11 ARG 136 6.406 44.281 12.823 1146 HH12 ARG 136 HH12 ARG 136 5.602 45.604 12.005 1147 HH21 ARG 136 HH21 ARG 136 2.969 45.848 14.149 1148 HH22 ARG 136 HH22 ARG 136 3.764 46.450 12.717 Start of MODEL 5 1 H1 MET 1 H1 MET 1 5.517 -2.779 -14.928 2 H2 MET 1 H2 MET 1 4.210 -2.565 -15.893 3 H3 MET 1 H3 MET 1 5.341 -3.689 -16.271 4 HA MET 1 HA MET 1 5.617 -1.808 -17.700 5 HB2 MET 1 HB2 MET 1 4.603 -0.152 -16.142 6 HB3 MET 1 HB3 MET 1 6.035 -0.253 -15.109 7 HG2 MET 1 HG2 MET 1 7.424 0.638 -16.962 8 HG3 MET 1 HG3 MET 1 5.991 0.687 -18.003 9 HE1 MET 1 HE1 MET 1 7.712 3.189 -17.897 10 HE2 MET 1 HE2 MET 1 6.122 3.168 -18.687 11 HE3 MET 1 HE3 MET 1 6.537 4.477 -17.561 12 H SER 2 H SER 2 7.670 -1.525 -18.575 13 HA SER 2 HA SER 2 9.800 -3.128 -17.491 14 HB2 SER 2 HB2 SER 2 9.801 -1.269 -19.892 15 HB3 SER 2 HB3 SER 2 10.950 -2.578 -19.568 16 HG SER 2 HG SER 2 9.319 -4.065 -19.841 17 H ARG 3 H ARG 3 9.495 -1.312 -15.518 18 HA ARG 3 HA ARG 3 12.011 0.277 -15.536 19 HB2 ARG 3 HB2 ARG 3 9.255 1.373 -14.797 20 HB3 ARG 3 HB3 ARG 3 10.765 2.179 -14.397 21 HG2 ARG 3 HG2 ARG 3 9.766 1.638 -17.228 22 HG3 ARG 3 HG3 ARG 3 9.650 3.166 -16.353 23 HD2 ARG 3 HD2 ARG 3 12.130 3.279 -16.202 24 HD3 ARG 3 HD3 ARG 3 12.245 1.777 -17.140 25 HE ARG 3 HE ARG 3 10.671 3.655 -18.606 26 HH11 ARG 3 HH11 ARG 3 14.045 3.213 -17.707 27 HH12 ARG 3 HH12 ARG 3 14.603 4.105 -19.103 28 HH21 ARG 3 HH21 ARG 3 11.477 4.757 -20.340 29 HH22 ARG 3 HH22 ARG 3 13.199 4.939 -20.538 30 H ASP 4 H ASP 4 12.847 0.754 -13.495 31 HA ASP 4 HA ASP 4 11.832 -0.832 -11.182 32 HB2 ASP 4 HB2 ASP 4 14.025 -1.822 -10.879 33 HB3 ASP 4 HB3 ASP 4 13.377 -2.225 -12.458 34 H ALA 5 H ALA 5 11.775 2.071 -11.634 35 HA ALA 5 HA ALA 5 13.717 3.380 -10.007 36 HB1 ALA 5 HB1 ALA 5 10.813 4.100 -10.587 37 HB2 ALA 5 HB2 ALA 5 12.040 5.184 -9.890 38 HB3 ALA 5 HB3 ALA 5 12.237 4.577 -11.545 39 HA PRO 6 HA PRO 6 12.315 1.550 -6.169 40 HB2 PRO 6 HB2 PRO 6 14.113 2.585 -4.419 41 HB3 PRO 6 HB3 PRO 6 14.635 1.559 -5.785 42 HG2 PRO 6 HG2 PRO 6 14.581 4.599 -5.664 43 HG3 PRO 6 HG3 PRO 6 15.952 3.535 -6.130 44 HD2 PRO 6 HD2 PRO 6 14.229 4.666 -7.958 45 HD3 PRO 6 HD3 PRO 6 15.007 3.072 -8.220 46 H ILE 7 H ILE 7 11.975 2.468 -3.738 47 HA ILE 7 HA ILE 7 10.048 4.610 -3.802 48 HB ILE 7 HB ILE 7 11.046 3.270 -1.278 49 HG12 ILE 7 HG12 ILE 7 10.403 1.394 -2.583 50 HG13 ILE 7 HG13 ILE 7 9.125 1.716 -1.429 51 HG21 ILE 7 HG21 ILE 7 9.695 5.304 -0.958 52 HG22 ILE 7 HG22 ILE 7 8.432 4.663 -2.015 53 HG23 ILE 7 HG23 ILE 7 8.773 3.881 -0.459 54 HD11 ILE 7 HD11 ILE 7 7.768 2.786 -3.251 55 HD12 ILE 7 HD12 ILE 7 9.070 2.384 -4.398 56 HD13 ILE 7 HD13 ILE 7 8.171 1.096 -3.582 57 H LYS 8 H LYS 8 11.910 5.818 -4.757 58 HA LYS 8 HA LYS 8 13.682 7.346 -2.965 59 HB2 LYS 8 HB2 LYS 8 14.047 8.688 -5.053 60 HB3 LYS 8 HB3 LYS 8 14.484 6.998 -5.181 61 HG2 LYS 8 HG2 LYS 8 13.002 6.562 -6.829 62 HG3 LYS 8 HG3 LYS 8 11.696 7.385 -6.028 63 HD2 LYS 8 HD2 LYS 8 13.025 9.601 -6.783 64 HD3 LYS 8 HD3 LYS 8 13.662 8.492 -8.012 65 HE2 LYS 8 HE2 LYS 8 11.254 7.909 -8.575 66 HE3 LYS 8 HE3 LYS 8 10.732 9.124 -7.381 67 HZ1 LYS 8 HZ1 LYS 8 10.781 9.972 -9.673 68 HZ2 LYS 8 HZ2 LYS 8 11.735 10.829 -8.671 69 HZ3 LYS 8 HZ3 LYS 8 12.395 9.771 -9.748 70 H ALA 9 H ALA 9 12.493 8.419 -1.417 71 HA ALA 9 HA ALA 9 10.044 9.801 -2.046 72 HB1 ALA 9 HB1 ALA 9 10.408 8.922 0.160 73 HB2 ALA 9 HB2 ALA 9 11.784 10.036 0.414 74 HB3 ALA 9 HB3 ALA 9 10.137 10.687 0.192 75 H ASP 10 H ASP 10 10.661 10.959 -3.840 76 HA ASP 10 HA ASP 10 12.200 13.389 -3.835 77 HB2 ASP 10 HB2 ASP 10 9.927 12.227 -5.463 78 HB3 ASP 10 HB3 ASP 10 10.419 13.903 -5.726 79 H LYS 11 H LYS 11 9.114 12.563 -2.549 80 HA LYS 11 HA LYS 11 7.957 15.089 -1.964 81 HB2 LYS 11 HB2 LYS 11 7.927 12.363 -0.621 82 HB3 LYS 11 HB3 LYS 11 7.138 13.708 0.162 83 HG2 LYS 11 HG2 LYS 11 5.447 13.903 -1.495 84 HG3 LYS 11 HG3 LYS 11 6.398 12.983 -2.692 85 HD2 LYS 11 HD2 LYS 11 6.032 10.928 -1.369 86 HD3 LYS 11 HD3 LYS 11 5.267 11.875 -0.087 87 HE2 LYS 11 HE2 LYS 11 3.499 10.842 -1.325 88 HE3 LYS 11 HE3 LYS 11 3.456 12.567 -1.678 89 HZ1 LYS 11 HZ1 LYS 11 3.218 11.219 -3.698 90 HZ2 LYS 11 HZ2 LYS 11 4.598 12.073 -3.800 91 HZ3 LYS 11 HZ3 LYS 11 4.643 10.479 -3.445 92 H ASP 12 H ASP 12 9.020 16.751 -1.045 93 HA ASP 12 HA ASP 12 10.979 16.541 1.146 94 HB2 ASP 12 HB2 ASP 12 9.417 18.900 0.010 95 HB3 ASP 12 HB3 ASP 12 10.690 19.023 1.223 96 H TYR 13 H TYR 13 10.309 17.986 3.283 97 HA TYR 13 HA TYR 13 8.479 16.416 4.654 98 HB2 TYR 13 HB2 TYR 13 9.346 19.225 5.280 99 HB3 TYR 13 HB3 TYR 13 8.409 18.203 6.366 100 HD1 TYR 13 HD1 TYR 13 9.378 15.886 6.996 101 HD2 TYR 13 HD2 TYR 13 11.725 19.131 5.381 102 HE1 TYR 13 HE1 TYR 13 11.453 14.861 7.933 103 HE2 TYR 13 HE2 TYR 13 13.786 18.102 6.309 104 HH TYR 13 HH TYR 13 14.671 16.321 7.413 105 H SER 14 H SER 14 7.581 19.470 3.048 106 HA SER 14 HA SER 14 4.905 19.417 4.020 107 HB2 SER 14 HB2 SER 14 4.470 21.099 2.196 108 HB3 SER 14 HB3 SER 14 6.014 21.450 2.982 109 HG SER 14 HG SER 14 6.702 21.472 1.040 110 H GLN 15 H GLN 15 6.396 17.510 1.739 111 HA GLN 15 HA GLN 15 3.936 16.651 0.355 112 HB2 GLN 15 HB2 GLN 15 6.772 16.087 -0.437 113 HB3 GLN 15 HB3 GLN 15 5.313 15.928 -1.419 114 HG2 GLN 15 HG2 GLN 15 6.597 18.537 -0.560 115 HG3 GLN 15 HG3 GLN 15 6.603 17.832 -2.164 116 HE21 GLN 15 HE21 GLN 15 3.626 20.303 -1.358 117 HE22 GLN 15 HE22 GLN 15 5.138 20.232 -0.450 118 H ILE 16 H ILE 16 6.443 15.656 2.608 119 HA ILE 16 HA ILE 16 5.851 12.861 2.686 120 HB ILE 16 HB ILE 16 7.024 14.837 4.647 121 HG12 ILE 16 HG12 ILE 16 8.096 12.382 3.211 122 HG13 ILE 16 HG13 ILE 16 8.146 14.007 2.541 123 HG21 ILE 16 HG21 ILE 16 5.877 13.253 6.097 124 HG22 ILE 16 HG22 ILE 16 6.543 11.883 5.179 125 HG23 ILE 16 HG23 ILE 16 7.608 12.932 6.140 126 HD11 ILE 16 HD11 ILE 16 9.597 13.223 5.092 127 HD12 ILE 16 HD12 ILE 16 10.311 13.351 3.471 128 HD13 ILE 16 HD13 ILE 16 9.654 14.787 4.245 129 H LEU 17 H LEU 17 4.374 15.719 4.294 130 HA LEU 17 HA LEU 17 2.337 14.385 5.705 131 HB2 LEU 17 HB2 LEU 17 2.683 16.929 4.159 132 HB3 LEU 17 HB3 LEU 17 1.240 16.676 5.183 133 HG LEU 17 HG LEU 17 4.104 16.683 6.198 134 HD11 LEU 17 HD11 LEU 17 3.258 18.824 5.128 135 HD12 LEU 17 HD12 LEU 17 2.168 18.976 6.517 136 HD13 LEU 17 HD13 LEU 17 3.936 18.926 6.746 137 HD21 LEU 17 HD21 LEU 17 2.253 15.529 7.579 138 HD22 LEU 17 HD22 LEU 17 3.128 16.811 8.409 139 HD23 LEU 17 HD23 LEU 17 1.504 17.125 7.750 140 H LYS 18 H LYS 18 2.737 14.219 2.246 141 HA LYS 18 HA LYS 18 -0.061 13.856 1.527 142 HB2 LYS 18 HB2 LYS 18 2.404 12.954 0.050 143 HB3 LYS 18 HB3 LYS 18 0.792 13.015 -0.595 144 HG2 LYS 18 HG2 LYS 18 2.035 15.575 0.406 145 HG3 LYS 18 HG3 LYS 18 2.593 14.888 -1.127 146 HD2 LYS 18 HD2 LYS 18 0.245 14.944 -1.973 147 HD3 LYS 18 HD3 LYS 18 -0.313 15.584 -0.410 148 HE2 LYS 18 HE2 LYS 18 1.130 17.587 -0.723 149 HE3 LYS 18 HE3 LYS 18 1.690 16.948 -2.275 150 HZ1 LYS 18 HZ1 LYS 18 -0.117 18.543 -2.570 151 HZ2 LYS 18 HZ2 LYS 18 -0.607 17.076 -3.076 152 HZ3 LYS 18 HZ3 LYS 18 -1.124 17.663 -1.647 153 H GLU 19 H GLU 19 2.716 11.859 2.356 154 HA GLU 19 HA GLU 19 1.284 9.363 1.751 155 HB2 GLU 19 HB2 GLU 19 3.469 8.362 1.626 156 HB3 GLU 19 HB3 GLU 19 3.398 9.817 0.617 157 HG2 GLU 19 HG2 GLU 19 4.698 11.079 2.195 158 HG3 GLU 19 HG3 GLU 19 4.618 9.807 3.410 159 H GLU 20 H GLU 20 2.943 10.964 4.484 160 HA GLU 20 HA GLU 20 2.805 8.655 6.198 161 HB2 GLU 20 HB2 GLU 20 3.241 11.618 6.602 162 HB3 GLU 20 HB3 GLU 20 3.041 10.556 8.007 163 HG2 GLU 20 HG2 GLU 20 5.039 10.011 5.770 164 HG3 GLU 20 HG3 GLU 20 5.435 10.963 7.205 165 H PHE 21 H PHE 21 0.604 11.411 5.734 166 HA PHE 21 HA PHE 21 -1.175 11.008 7.814 167 HB2 PHE 21 HB2 PHE 21 -1.370 12.888 6.370 168 HB3 PHE 21 HB3 PHE 21 -1.732 11.893 4.976 169 HD1 PHE 21 HD1 PHE 21 -3.066 12.504 8.460 170 HD2 PHE 21 HD2 PHE 21 -3.989 11.751 4.311 171 HE1 PHE 21 HE1 PHE 21 -5.485 12.723 8.956 172 HE2 PHE 21 HE2 PHE 21 -6.408 11.965 4.818 173 HZ PHE 21 HZ PHE 21 -7.166 12.449 7.137 174 HA PRO 22 HA PRO 22 -3.606 7.413 5.797 175 HB2 PRO 22 HB2 PRO 22 -2.341 6.068 3.725 176 HB3 PRO 22 HB3 PRO 22 -3.705 7.230 3.550 177 HG2 PRO 22 HG2 PRO 22 -0.760 7.625 3.102 178 HG3 PRO 22 HG3 PRO 22 -2.124 8.350 2.206 179 HD2 PRO 22 HD2 PRO 22 -0.713 9.726 4.100 180 HD3 PRO 22 HD3 PRO 22 -2.452 9.993 3.820 181 H LYS 23 H LYS 23 -0.025 7.038 5.385 182 HA LYS 23 HA LYS 23 0.108 4.289 6.067 183 HB2 LYS 23 HB2 LYS 23 2.129 6.542 6.306 184 HB3 LYS 23 HB3 LYS 23 2.535 4.875 6.706 185 HG2 LYS 23 HG2 LYS 23 2.022 4.105 4.470 186 HG3 LYS 23 HG3 LYS 23 1.411 5.688 3.994 187 HD2 LYS 23 HD2 LYS 23 3.684 6.667 4.423 188 HD3 LYS 23 HD3 LYS 23 4.300 5.048 4.771 189 HE2 LYS 23 HE2 LYS 23 3.020 5.929 2.135 190 HE3 LYS 23 HE3 LYS 23 4.759 5.875 2.439 191 HZ1 LYS 23 HZ1 LYS 23 4.566 3.472 2.786 192 HZ2 LYS 23 HZ2 LYS 23 2.961 3.512 2.497 193 HZ3 LYS 23 HZ3 LYS 23 4.017 3.874 1.315 194 H ILE 24 H ILE 24 0.047 7.069 8.223 195 HA ILE 24 HA ILE 24 0.044 5.221 10.560 196 HB ILE 24 HB ILE 24 1.675 6.485 11.113 197 HG12 ILE 24 HG12 ILE 24 -0.007 6.913 12.901 198 HG13 ILE 24 HG13 ILE 24 1.323 8.003 12.785 199 HG21 ILE 24 HG21 ILE 24 1.979 7.876 9.244 200 HG22 ILE 24 HG22 ILE 24 0.532 8.834 9.636 201 HG23 ILE 24 HG23 ILE 24 1.997 8.944 10.646 202 HD11 ILE 24 HD11 ILE 24 -0.592 9.428 11.357 203 HD12 ILE 24 HD12 ILE 24 -1.567 8.552 12.535 204 HD13 ILE 24 HD13 ILE 24 -0.227 9.596 13.070 205 H ASP 25 H ASP 25 -2.332 6.816 8.704 206 HA ASP 25 HA ASP 25 -4.249 7.225 10.787 207 HB2 ASP 25 HB2 ASP 25 -4.571 7.975 8.513 208 HB3 ASP 25 HB3 ASP 25 -4.553 6.321 7.909 209 H SER 26 H SER 26 -3.182 4.300 9.056 210 HA SER 26 HA SER 26 -4.829 2.316 10.215 211 HB2 SER 26 HB2 SER 26 -1.879 2.207 9.485 212 HB3 SER 26 HB3 SER 26 -2.935 0.795 9.724 213 HG SER 26 HG SER 26 -2.741 1.351 7.521 214 H LEU 27 H LEU 27 -2.129 4.074 11.695 215 HA LEU 27 HA LEU 27 -2.075 2.352 14.068 216 HB2 LEU 27 HB2 LEU 27 0.066 3.147 13.563 217 HB3 LEU 27 HB3 LEU 27 -0.502 4.730 13.100 218 HG LEU 27 HG LEU 27 -1.066 5.254 15.460 219 HD11 LEU 27 HD11 LEU 27 -1.307 2.900 16.312 220 HD12 LEU 27 HD12 LEU 27 0.419 2.622 16.017 221 HD13 LEU 27 HD13 LEU 27 -0.115 3.797 17.237 222 HD21 LEU 27 HD21 LEU 27 1.277 5.524 16.224 223 HD22 LEU 27 HD22 LEU 27 1.825 4.384 14.977 224 HD23 LEU 27 HD23 LEU 27 1.128 5.945 14.521 225 H ALA 28 H ALA 28 -3.037 5.715 13.241 226 HA ALA 28 HA ALA 28 -4.085 6.490 15.686 227 HB1 ALA 28 HB1 ALA 28 -3.667 7.947 13.684 228 HB2 ALA 28 HB2 ALA 28 -5.121 7.267 12.929 229 HB3 ALA 28 HB3 ALA 28 -5.259 8.225 14.415 230 H GLN 29 H GLN 29 -5.717 4.462 13.289 231 HA GLN 29 HA GLN 29 -8.272 4.482 14.640 232 HB2 GLN 29 HB2 GLN 29 -7.111 2.436 12.719 233 HB3 GLN 29 HB3 GLN 29 -8.785 2.470 13.272 234 HG2 GLN 29 HG2 GLN 29 -7.421 4.470 11.464 235 HG3 GLN 29 HG3 GLN 29 -8.760 3.417 11.095 236 HE21 GLN 29 HE21 GLN 29 -9.735 7.073 12.015 237 HE22 GLN 29 HE22 GLN 29 -8.274 6.529 11.180 238 H ASN 30 H ASN 30 -5.399 3.169 15.745 239 HA ASN 30 HA ASN 30 -6.729 1.166 17.468 240 HB2 ASN 30 HB2 ASN 30 -4.093 1.008 15.946 241 HB3 ASN 30 HB3 ASN 30 -4.561 -0.139 17.200 242 HD21 ASN 30 HD21 ASN 30 -6.006 -0.721 13.509 243 HD22 ASN 30 HD22 ASN 30 -4.809 0.526 13.810 244 H ASP 31 H ASP 31 -3.935 3.384 17.213 245 HA ASP 31 HA ASP 31 -4.112 4.013 20.076 246 HB2 ASP 31 HB2 ASP 31 -2.597 2.068 20.048 247 HB3 ASP 31 HB3 ASP 31 -1.567 2.867 18.861 248 H CYS 32 H CYS 32 -4.922 5.957 18.862 249 HA CYS 32 HA CYS 32 -3.169 7.512 17.272 250 HB2 CYS 32 HB2 CYS 32 -4.796 9.380 17.771 251 HB3 CYS 32 HB3 CYS 32 -5.539 7.910 17.132 252 HG CYS 32 HG CYS 32 -6.658 7.061 19.179 253 H ASN 33 H ASN 33 -3.076 7.095 20.707 254 HA ASN 33 HA ASN 33 -1.779 9.546 21.427 255 HB2 ASN 33 HB2 ASN 33 -2.833 7.869 23.002 256 HB3 ASN 33 HB3 ASN 33 -1.472 6.791 22.676 257 HD21 ASN 33 HD21 ASN 33 0.256 8.296 25.358 258 HD22 ASN 33 HD22 ASN 33 -0.221 6.820 24.534 259 H SER 34 H SER 34 -0.646 6.629 19.824 260 HA SER 34 HA SER 34 2.185 7.540 19.818 261 HB2 SER 34 HB2 SER 34 0.797 5.154 18.581 262 HB3 SER 34 HB3 SER 34 2.528 5.511 18.426 263 HG SER 34 HG SER 34 1.077 4.484 20.549 264 H ALA 35 H ALA 35 -0.663 7.475 17.662 265 HA ALA 35 HA ALA 35 0.635 8.123 15.211 266 HB1 ALA 35 HB1 ALA 35 -1.671 9.014 14.617 267 HB2 ALA 35 HB2 ALA 35 -1.738 7.391 15.317 268 HB3 ALA 35 HB3 ALA 35 -2.130 8.884 16.259 269 H LEU 36 H LEU 36 -0.586 10.278 17.798 270 HA LEU 36 HA LEU 36 0.017 12.673 16.399 271 HB2 LEU 36 HB2 LEU 36 -0.529 13.789 18.461 272 HB3 LEU 36 HB3 LEU 36 -1.574 12.404 18.229 273 HG LEU 36 HG LEU 36 0.118 11.177 19.831 274 HD11 LEU 36 HD11 LEU 36 0.511 14.085 20.683 275 HD12 LEU 36 HD12 LEU 36 1.066 12.641 21.551 276 HD13 LEU 36 HD13 LEU 36 1.775 13.058 19.993 277 HD21 LEU 36 HD21 LEU 36 -1.832 13.312 20.804 278 HD22 LEU 36 HD22 LEU 36 -2.245 11.659 20.305 279 HD23 LEU 36 HD23 LEU 36 -1.247 11.919 21.751 280 H ASP 37 H ASP 37 2.042 10.573 18.235 281 HA ASP 37 HA ASP 37 4.415 12.314 18.144 282 HB2 ASP 37 HB2 ASP 37 3.974 9.433 18.998 283 HB3 ASP 37 HB3 ASP 37 5.566 10.171 18.951 284 H GLN 38 H GLN 38 2.831 10.877 15.675 285 HA GLN 38 HA GLN 38 5.359 10.694 14.154 286 HB2 GLN 38 HB2 GLN 38 2.710 9.416 13.458 287 HB3 GLN 38 HB3 GLN 38 4.218 9.298 12.537 288 HG2 GLN 38 HG2 GLN 38 5.183 8.337 14.814 289 HG3 GLN 38 HG3 GLN 38 3.484 8.046 15.197 290 HE21 GLN 38 HE21 GLN 38 4.760 4.900 13.761 291 HE22 GLN 38 HE22 GLN 38 4.985 5.841 15.230 292 H LEU 39 H LEU 39 1.877 11.727 13.551 293 HA LEU 39 HA LEU 39 2.750 13.300 11.323 294 HB2 LEU 39 HB2 LEU 39 0.246 13.745 13.002 295 HB3 LEU 39 HB3 LEU 39 0.570 14.429 11.414 296 HG LEU 39 HG LEU 39 0.076 11.542 12.130 297 HD11 LEU 39 HD11 LEU 39 -1.898 13.015 11.881 298 HD12 LEU 39 HD12 LEU 39 -1.374 13.436 10.237 299 HD13 LEU 39 HD13 LEU 39 -1.844 11.764 10.636 300 HD21 LEU 39 HD21 LEU 39 0.241 11.093 9.639 301 HD22 LEU 39 HD22 LEU 39 0.932 12.714 9.432 302 HD23 LEU 39 HD23 LEU 39 1.792 11.475 10.376 303 H LEU 40 H LEU 40 2.295 14.387 14.749 304 HA LEU 40 HA LEU 40 2.839 17.146 13.864 305 HB2 LEU 40 HB2 LEU 40 2.483 16.272 16.719 306 HB3 LEU 40 HB3 LEU 40 2.403 17.884 16.048 307 HG LEU 40 HG LEU 40 0.172 17.571 16.306 308 HD11 LEU 40 HD11 LEU 40 0.292 16.036 13.693 309 HD12 LEU 40 HD12 LEU 40 -1.068 16.918 14.366 310 HD13 LEU 40 HD13 LEU 40 0.380 17.791 13.835 311 HD21 LEU 40 HD21 LEU 40 -0.986 15.609 16.533 312 HD22 LEU 40 HD22 LEU 40 0.264 14.652 15.688 313 HD23 LEU 40 HD23 LEU 40 0.562 15.338 17.307 314 H VAL 41 H VAL 41 4.775 14.546 14.551 315 HA VAL 41 HA VAL 41 7.105 15.964 15.558 316 HB VAL 41 HB VAL 41 6.639 13.252 14.317 317 HG11 VAL 41 HG11 VAL 41 8.892 13.836 13.543 318 HG12 VAL 41 HG12 VAL 41 9.344 14.388 15.173 319 HG13 VAL 41 HG13 VAL 41 9.008 12.669 14.860 320 HG21 VAL 41 HG21 VAL 41 5.987 13.555 16.673 321 HG22 VAL 41 HG22 VAL 41 7.446 12.557 16.615 322 HG23 VAL 41 HG23 VAL 41 7.566 14.261 17.065 323 H LEU 42 H LEU 42 5.694 15.309 12.392 324 HA LEU 42 HA LEU 42 7.837 16.327 10.793 325 HB2 LEU 42 HB2 LEU 42 4.847 16.528 10.410 326 HB3 LEU 42 HB3 LEU 42 6.020 16.924 9.168 327 HG LEU 42 HG LEU 42 5.772 14.141 10.418 328 HD11 LEU 42 HD11 LEU 42 4.711 13.430 8.316 329 HD12 LEU 42 HD12 LEU 42 3.739 14.652 9.134 330 HD13 LEU 42 HD13 LEU 42 4.721 15.097 7.711 331 HD21 LEU 42 HD21 LEU 42 7.122 13.455 8.454 332 HD22 LEU 42 HD22 LEU 42 7.197 15.148 7.902 333 HD23 LEU 42 HD23 LEU 42 8.004 14.648 9.408 334 H GLU 43 H GLU 43 4.978 18.073 12.093 335 HA GLU 43 HA GLU 43 5.776 20.749 11.645 336 HB2 GLU 43 HB2 GLU 43 3.669 20.331 12.554 337 HB3 GLU 43 HB3 GLU 43 4.257 19.442 13.917 338 HG2 GLU 43 HG2 GLU 43 5.042 22.343 13.676 339 HG3 GLU 43 HG3 GLU 43 3.366 21.988 13.992 340 H LYS 44 H LYS 44 6.819 18.666 14.339 341 HA LYS 44 HA LYS 44 8.450 20.640 15.619 342 HB2 LYS 44 HB2 LYS 44 7.584 18.453 16.582 343 HB3 LYS 44 HB3 LYS 44 8.849 17.618 15.677 344 HG2 LYS 44 HG2 LYS 44 10.592 18.951 16.885 345 HG3 LYS 44 HG3 LYS 44 9.319 19.846 17.720 346 HD2 LYS 44 HD2 LYS 44 10.161 18.251 19.255 347 HD3 LYS 44 HD3 LYS 44 8.549 17.695 18.780 348 HE2 LYS 44 HE2 LYS 44 9.585 16.058 17.208 349 HE3 LYS 44 HE3 LYS 44 11.191 16.681 17.603 350 HZ1 LYS 44 HZ1 LYS 44 9.373 15.350 19.544 351 HZ2 LYS 44 HZ2 LYS 44 10.700 14.678 18.874 352 HZ3 LYS 44 HZ3 LYS 44 10.852 15.933 19.892 353 H LYS 45 H LYS 45 9.412 18.043 13.376 354 HA LYS 45 HA LYS 45 12.190 18.730 13.206 355 HB2 LYS 45 HB2 LYS 45 11.265 16.526 12.555 356 HB3 LYS 45 HB3 LYS 45 10.302 17.263 11.287 357 HG2 LYS 45 HG2 LYS 45 12.244 16.137 10.349 358 HG3 LYS 45 HG3 LYS 45 12.282 17.856 10.006 359 HD2 LYS 45 HD2 LYS 45 14.513 17.063 10.537 360 HD3 LYS 45 HD3 LYS 45 13.990 18.185 11.794 361 HE2 LYS 45 HE2 LYS 45 13.399 16.258 13.267 362 HE3 LYS 45 HE3 LYS 45 13.869 15.134 11.984 363 HZ1 LYS 45 HZ1 LYS 45 15.650 15.427 13.590 364 HZ2 LYS 45 HZ2 LYS 45 16.138 15.986 12.145 365 HZ3 LYS 45 HZ3 LYS 45 15.718 17.027 13.329 366 H THR 46 H THR 46 9.478 19.584 11.053 367 HA THR 46 HA THR 46 10.918 21.091 9.126 368 HB THR 46 HB THR 46 8.756 22.204 8.659 369 HG1 THR 46 HG1 THR 46 7.777 20.375 10.558 370 HG21 THR 46 HG21 THR 46 9.302 20.248 7.480 371 HG22 THR 46 HG22 THR 46 8.932 19.176 8.837 372 HG23 THR 46 HG23 THR 46 7.609 20.058 8.038 373 H ARG 47 H ARG 47 9.243 22.389 12.080 374 HA ARG 47 HA ARG 47 10.269 25.013 11.441 375 HB2 ARG 47 HB2 ARG 47 8.181 24.486 12.832 376 HB3 ARG 47 HB3 ARG 47 9.252 24.274 14.217 377 HG2 ARG 47 HG2 ARG 47 9.495 26.759 12.481 378 HG3 ARG 47 HG3 ARG 47 8.145 26.630 13.574 379 HD2 ARG 47 HD2 ARG 47 9.519 26.559 15.513 380 HD3 ARG 47 HD3 ARG 47 10.989 26.283 14.593 381 HE ARG 47 HE ARG 47 9.574 28.841 14.965 382 HH11 ARG 47 HH11 ARG 47 12.163 27.250 13.127 383 HH12 ARG 47 HH12 ARG 47 12.852 28.794 12.699 384 HH21 ARG 47 HH21 ARG 47 10.539 30.704 14.319 385 HH22 ARG 47 HH22 ARG 47 11.969 30.653 13.329 386 H GLN 48 H GLN 48 11.637 22.434 13.444 387 HA GLN 48 HA GLN 48 13.777 24.088 14.454 388 HB2 GLN 48 HB2 GLN 48 13.405 21.083 14.259 389 HB3 GLN 48 HB3 GLN 48 14.828 21.828 14.987 390 HG2 GLN 48 HG2 GLN 48 11.964 22.331 15.917 391 HG3 GLN 48 HG3 GLN 48 13.068 21.181 16.658 392 HE21 GLN 48 HE21 GLN 48 13.126 24.455 18.550 393 HE22 GLN 48 HE22 GLN 48 11.820 23.383 18.056 394 H ALA 49 H ALA 49 13.469 22.040 11.563 395 HA ALA 49 HA ALA 49 16.200 22.318 10.715 396 HB1 ALA 49 HB1 ALA 49 14.782 20.344 10.257 397 HB2 ALA 49 HB2 ALA 49 13.667 21.356 9.310 398 HB3 ALA 49 HB3 ALA 49 15.329 21.083 8.742 399 H SER 50 H SER 50 13.763 24.613 10.647 400 HA SER 50 HA SER 50 13.161 26.379 9.436 401 HB2 SER 50 HB2 SER 50 15.929 26.369 8.208 402 HB3 SER 50 HB3 SER 50 14.756 27.701 8.181 403 HG SER 50 HG SER 50 16.305 27.888 9.876 404 H ASP 51 H ASP 51 12.632 23.774 8.443 405 HA ASP 51 HA ASP 51 11.979 24.285 5.568 406 HB2 ASP 51 HB2 ASP 51 11.953 21.726 7.211 407 HB3 ASP 51 HB3 ASP 51 11.318 21.856 5.570 408 H LEU 52 H LEU 52 10.895 25.708 7.800 409 HA LEU 52 HA LEU 52 8.592 24.650 8.895 410 HB2 LEU 52 HB2 LEU 52 8.250 26.745 9.831 411 HB3 LEU 52 HB3 LEU 52 9.979 26.354 9.830 412 HG LEU 52 HG LEU 52 8.556 28.420 8.136 413 HD11 LEU 52 HD11 LEU 52 10.789 28.624 10.217 414 HD12 LEU 52 HD12 LEU 52 9.955 29.981 9.425 415 HD13 LEU 52 HD13 LEU 52 9.085 28.934 10.562 416 HD21 LEU 52 HD21 LEU 52 11.476 27.577 8.088 417 HD22 LEU 52 HD22 LEU 52 10.305 27.501 6.746 418 HD23 LEU 52 HD23 LEU 52 10.840 29.070 7.348 419 H ALA 53 H ALA 53 8.906 26.240 5.892 420 HA ALA 53 HA ALA 53 6.216 26.924 5.247 421 HB1 ALA 53 HB1 ALA 53 8.392 25.673 3.511 422 HB2 ALA 53 HB2 ALA 53 6.955 26.526 2.907 423 HB3 ALA 53 HB3 ALA 53 8.189 27.420 3.819 424 H SER 54 H SER 54 7.707 23.830 5.735 425 HA SER 54 HA SER 54 5.462 22.167 4.727 426 HB2 SER 54 HB2 SER 54 7.826 21.463 6.451 427 HB3 SER 54 HB3 SER 54 6.764 20.317 5.631 428 HG SER 54 HG SER 54 8.741 22.077 4.638 429 H SER 55 H SER 55 6.864 23.003 7.935 430 HA SER 55 HA SER 55 5.042 21.900 9.655 431 HB2 SER 55 HB2 SER 55 5.670 23.355 11.297 432 HB3 SER 55 HB3 SER 55 7.030 23.520 10.185 433 HG SER 55 HG SER 55 6.036 25.423 9.379 434 H LYS 56 H LYS 56 4.523 24.828 7.787 435 HA LYS 56 HA LYS 56 2.066 25.777 8.791 436 HB2 LYS 56 HB2 LYS 56 3.155 25.851 5.951 437 HB3 LYS 56 HB3 LYS 56 1.709 26.718 6.470 438 HG2 LYS 56 HG2 LYS 56 3.029 27.951 8.175 439 HG3 LYS 56 HG3 LYS 56 4.500 27.146 7.604 440 HD2 LYS 56 HD2 LYS 56 4.106 28.097 5.320 441 HD3 LYS 56 HD3 LYS 56 2.681 28.947 5.942 442 HE2 LYS 56 HE2 LYS 56 4.126 30.148 7.583 443 HE3 LYS 56 HE3 LYS 56 5.551 29.327 6.929 444 HZ1 LYS 56 HZ1 LYS 56 3.791 31.177 5.406 445 HZ2 LYS 56 HZ2 LYS 56 5.285 31.524 5.948 446 HZ3 LYS 56 HZ3 LYS 56 5.086 30.409 4.783 447 H GLU 57 H GLU 57 2.501 23.071 6.561 448 HA GLU 57 HA GLU 57 -0.362 22.792 5.968 449 HB2 GLU 57 HB2 GLU 57 2.078 21.089 5.398 450 HB3 GLU 57 HB3 GLU 57 0.460 20.665 4.855 451 HG2 GLU 57 HG2 GLU 57 1.950 23.223 4.127 452 HG3 GLU 57 HG3 GLU 57 1.859 21.780 3.115 453 H VAL 58 H VAL 58 1.954 21.523 8.275 454 HA VAL 58 HA VAL 58 0.303 19.343 9.287 455 HB VAL 58 HB VAL 58 2.292 20.691 11.021 456 HG11 VAL 58 HG11 VAL 58 1.713 17.749 10.442 457 HG12 VAL 58 HG12 VAL 58 2.747 18.364 11.737 458 HG13 VAL 58 HG13 VAL 58 1.006 18.678 11.768 459 HG21 VAL 58 HG21 VAL 58 4.211 19.526 10.102 460 HG22 VAL 58 HG22 VAL 58 3.207 18.856 8.821 461 HG23 VAL 58 HG23 VAL 58 3.528 20.574 8.866 462 H LEU 59 H LEU 59 0.869 22.728 10.209 463 HA LEU 59 HA LEU 59 -0.307 22.659 12.755 464 HB2 LEU 59 HB2 LEU 59 -0.687 25.084 10.995 465 HB3 LEU 59 HB3 LEU 59 -0.518 24.990 12.740 466 HG LEU 59 HG LEU 59 1.590 24.807 10.628 467 HD11 LEU 59 HD11 LEU 59 1.395 26.547 13.104 468 HD12 LEU 59 HD12 LEU 59 2.619 26.635 11.825 469 HD13 LEU 59 HD13 LEU 59 0.926 27.023 11.461 470 HD21 LEU 59 HD21 LEU 59 3.271 24.307 12.332 471 HD22 LEU 59 HD22 LEU 59 1.995 24.121 13.568 472 HD23 LEU 59 HD23 LEU 59 2.113 22.990 12.207 473 H ALA 60 H ALA 60 -1.915 22.978 9.708 474 HA ALA 60 HA ALA 60 -4.544 23.481 10.681 475 HB1 ALA 60 HB1 ALA 60 -3.757 24.070 8.424 476 HB2 ALA 60 HB2 ALA 60 -3.495 22.352 8.043 477 HB3 ALA 60 HB3 ALA 60 -5.148 22.973 8.301 478 H LYS 61 H LYS 61 -2.803 20.609 10.937 479 HA LYS 61 HA LYS 61 -5.280 19.353 11.828 480 HB2 LYS 61 HB2 LYS 61 -5.256 17.572 10.677 481 HB3 LYS 61 HB3 LYS 61 -4.318 18.552 9.555 482 HG2 LYS 61 HG2 LYS 61 -3.125 16.507 11.481 483 HG3 LYS 61 HG3 LYS 61 -3.622 16.158 9.832 484 HD2 LYS 61 HD2 LYS 61 -1.430 18.044 10.662 485 HD3 LYS 61 HD3 LYS 61 -1.223 16.458 9.932 486 HE2 LYS 61 HE2 LYS 61 -2.519 18.892 8.618 487 HE3 LYS 61 HE3 LYS 61 -0.896 18.305 8.286 488 HZ1 LYS 61 HZ1 LYS 61 -3.404 16.822 7.662 489 HZ2 LYS 61 HZ2 LYS 61 -2.440 17.558 6.589 490 HZ3 LYS 61 HZ3 LYS 61 -1.898 16.251 7.384 491 H ILE 62 H ILE 62 -2.626 20.611 12.864 492 HA ILE 62 HA ILE 62 -1.782 18.877 14.976 493 HB ILE 62 HB ILE 62 -1.461 21.663 14.297 494 HG12 ILE 62 HG12 ILE 62 0.426 21.371 16.116 495 HG13 ILE 62 HG13 ILE 62 -0.039 19.685 16.036 496 HG21 ILE 62 HG21 ILE 62 -1.397 22.659 16.589 497 HG22 ILE 62 HG22 ILE 62 -2.985 22.373 15.911 498 HG23 ILE 62 HG23 ILE 62 -2.294 21.290 17.167 499 HD11 ILE 62 HD11 ILE 62 1.108 21.463 13.891 500 HD12 ILE 62 HD12 ILE 62 1.670 19.873 14.445 501 HD13 ILE 62 HD13 ILE 62 0.198 20.001 13.448 502 H VAL 63 H VAL 63 -4.689 20.957 14.644 503 HA VAL 63 HA VAL 63 -5.469 20.400 17.409 504 HB VAL 63 HB VAL 63 -6.122 22.456 16.181 505 HG11 VAL 63 HG11 VAL 63 -8.332 20.838 14.911 506 HG12 VAL 63 HG12 VAL 63 -8.042 22.598 14.825 507 HG13 VAL 63 HG13 VAL 63 -6.906 21.476 14.048 508 HG21 VAL 63 HG21 VAL 63 -7.066 21.925 18.286 509 HG22 VAL 63 HG22 VAL 63 -8.392 22.499 17.255 510 HG23 VAL 63 HG23 VAL 63 -8.209 20.772 17.566 511 H ASP 64 H ASP 64 -6.049 18.884 14.424 512 HA ASP 64 HA ASP 64 -8.219 17.209 15.209 513 HB2 ASP 64 HB2 ASP 64 -6.353 17.004 12.816 514 HB3 ASP 64 HB3 ASP 64 -7.793 16.023 13.033 515 H LEU 65 H LEU 65 -4.822 16.886 15.664 516 HA LEU 65 HA LEU 65 -5.281 14.116 16.722 517 HB2 LEU 65 HB2 LEU 65 -2.853 15.289 15.381 518 HB3 LEU 65 HB3 LEU 65 -2.676 14.090 16.672 519 HG LEU 65 HG LEU 65 -4.326 12.628 15.365 520 HD11 LEU 65 HD11 LEU 65 -4.233 12.946 12.889 521 HD12 LEU 65 HD12 LEU 65 -5.061 14.289 13.678 522 HD13 LEU 65 HD13 LEU 65 -3.390 14.500 13.132 523 HD21 LEU 65 HD21 LEU 65 -1.507 13.157 14.395 524 HD22 LEU 65 HD22 LEU 65 -2.039 12.017 15.649 525 HD23 LEU 65 HD23 LEU 65 -2.478 11.723 13.967 526 H LEU 66 H LEU 66 -3.257 17.084 17.485 527 HA LEU 66 HA LEU 66 -2.672 16.065 20.051 528 HB2 LEU 66 HB2 LEU 66 -2.744 18.917 19.027 529 HB3 LEU 66 HB3 LEU 66 -2.204 18.535 20.647 530 HG LEU 66 HG LEU 66 -0.911 17.435 18.147 531 HD11 LEU 66 HD11 LEU 66 -0.751 19.842 18.135 532 HD12 LEU 66 HD12 LEU 66 -0.316 19.889 19.833 533 HD13 LEU 66 HD13 LEU 66 0.822 19.205 18.642 534 HD21 LEU 66 HD21 LEU 66 1.010 17.042 19.709 535 HD22 LEU 66 HD22 LEU 66 -0.040 17.515 21.063 536 HD23 LEU 66 HD23 LEU 66 -0.421 16.074 20.095 537 H ALA 67 H ALA 67 -4.742 18.990 19.568 538 HA ALA 67 HA ALA 67 -6.028 18.960 22.037 539 HB1 ALA 67 HB1 ALA 67 -6.949 19.783 19.257 540 HB2 ALA 67 HB2 ALA 67 -7.830 20.225 20.746 541 HB3 ALA 67 HB3 ALA 67 -6.173 20.792 20.484 542 H SER 68 H SER 68 -6.896 17.121 19.227 543 HA SER 68 HA SER 68 -9.460 16.207 20.145 544 HB2 SER 68 HB2 SER 68 -7.660 15.168 17.940 545 HB3 SER 68 HB3 SER 68 -9.341 14.667 18.204 546 HG SER 68 HG SER 68 -8.381 17.271 17.546 547 H ARG 69 H ARG 69 -6.218 14.953 20.675 548 HA ARG 69 HA ARG 69 -7.315 12.477 21.894 549 HB2 ARG 69 HB2 ARG 69 -5.438 12.363 20.219 550 HB3 ARG 69 HB3 ARG 69 -4.431 13.285 21.346 551 HG2 ARG 69 HG2 ARG 69 -4.166 10.685 21.181 552 HG3 ARG 69 HG3 ARG 69 -4.129 11.455 22.755 553 HD2 ARG 69 HD2 ARG 69 -6.616 10.853 23.002 554 HD3 ARG 69 HD3 ARG 69 -6.472 9.974 21.494 555 HE ARG 69 HE ARG 69 -5.493 8.244 22.703 556 HH11 ARG 69 HH11 ARG 69 -5.253 11.136 24.735 557 HH12 ARG 69 HH12 ARG 69 -4.800 10.173 26.122 558 HH21 ARG 69 HH21 ARG 69 -4.941 7.154 24.547 559 HH22 ARG 69 HH22 ARG 69 -4.629 8.033 26.017 560 H ASN 70 H ASN 70 -7.370 15.314 23.026 561 HA ASN 70 HA ASN 70 -7.071 16.446 24.879 562 HB2 ASN 70 HB2 ASN 70 -6.734 13.784 26.293 563 HB3 ASN 70 HB3 ASN 70 -6.976 15.323 27.093 564 HD21 ASN 70 HD21 ASN 70 -10.233 13.371 25.979 565 HD22 ASN 70 HD22 ASN 70 -8.650 12.626 26.125 566 H LYS 71 H LYS 71 -4.603 15.620 23.228 567 HA LYS 71 HA LYS 71 -2.561 16.527 25.111 568 HB2 LYS 71 HB2 LYS 71 -2.345 14.679 23.179 569 HB3 LYS 71 HB3 LYS 71 -2.086 16.085 22.166 570 HG2 LYS 71 HG2 LYS 71 0.024 15.109 22.864 571 HG3 LYS 71 HG3 LYS 71 -0.134 16.744 23.498 572 HD2 LYS 71 HD2 LYS 71 0.880 15.169 25.109 573 HD3 LYS 71 HD3 LYS 71 -0.591 15.905 25.737 574 HE2 LYS 71 HE2 LYS 71 -1.873 13.840 25.224 575 HE3 LYS 71 HE3 LYS 71 -0.426 13.113 24.500 576 HZ1 LYS 71 HZ1 LYS 71 0.645 13.237 26.680 577 HZ2 LYS 71 HZ2 LYS 71 -0.675 13.907 27.355 578 HZ3 LYS 71 HZ3 LYS 71 -0.735 12.383 26.789 579 H TRP 72 H TRP 72 -4.807 18.177 24.438 580 HA TRP 72 HA TRP 72 -4.422 20.277 22.699 581 HB2 TRP 72 HB2 TRP 72 -5.715 21.448 24.843 582 HB3 TRP 72 HB3 TRP 72 -6.450 20.527 23.542 583 HD1 TRP 72 HD1 TRP 72 -8.231 19.091 24.311 584 HE1 TRP 72 HE1 TRP 72 -8.889 17.835 26.431 585 HE3 TRP 72 HE3 TRP 72 -4.035 19.979 27.153 586 HZ2 TRP 72 HZ2 TRP 72 -7.796 17.332 29.050 587 HZ3 TRP 72 HZ3 TRP 72 -3.862 19.041 29.437 588 HH2 TRP 72 HH2 TRP 72 -5.743 17.741 30.408 589 H ASP 73 H ASP 73 -2.568 19.831 25.595 590 HA ASP 73 HA ASP 73 -1.930 22.549 26.161 591 HB2 ASP 73 HB2 ASP 73 -1.567 20.417 27.518 592 HB3 ASP 73 HB3 ASP 73 -0.195 20.079 26.467 593 H ASP 74 H ASP 74 -0.809 20.377 23.609 594 HA ASP 74 HA ASP 74 1.445 22.120 22.921 595 HB2 ASP 74 HB2 ASP 74 0.416 19.523 21.835 596 HB3 ASP 74 HB3 ASP 74 1.739 20.412 21.062 597 H LEU 75 H LEU 75 -1.870 22.380 22.180 598 HA LEU 75 HA LEU 75 -1.673 23.479 19.515 599 HB2 LEU 75 HB2 LEU 75 -3.674 23.436 21.716 600 HB3 LEU 75 HB3 LEU 75 -3.785 24.729 20.539 601 HG LEU 75 HG LEU 75 -5.152 22.662 20.150 602 HD11 LEU 75 HD11 LEU 75 -5.055 24.196 18.437 603 HD12 LEU 75 HD12 LEU 75 -3.361 23.819 18.032 604 HD13 LEU 75 HD13 LEU 75 -4.634 22.654 17.673 605 HD21 LEU 75 HD21 LEU 75 -4.162 20.760 19.020 606 HD22 LEU 75 HD22 LEU 75 -2.542 21.400 19.320 607 HD23 LEU 75 HD23 LEU 75 -3.566 20.931 20.683 608 H ASN 76 H ASN 76 -1.424 24.876 22.743 609 HA ASN 76 HA ASN 76 -0.794 27.559 22.151 610 HB2 ASN 76 HB2 ASN 76 -1.151 26.862 24.404 611 HB3 ASN 76 HB3 ASN 76 0.012 25.560 24.273 612 HD21 ASN 76 HD21 ASN 76 2.071 27.640 26.233 613 HD22 ASN 76 HD22 ASN 76 0.912 26.327 26.322 614 H GLU 77 H GLU 77 1.353 24.706 21.939 615 HA GLU 77 HA GLU 77 3.701 26.212 21.267 616 HB2 GLU 77 HB2 GLU 77 3.559 23.738 22.105 617 HB3 GLU 77 HB3 GLU 77 3.242 23.354 20.415 618 HG2 GLU 77 HG2 GLU 77 5.573 23.074 20.718 619 HG3 GLU 77 HG3 GLU 77 5.382 24.547 19.780 620 H GLN 78 H GLN 78 1.254 24.508 19.254 621 HA GLN 78 HA GLN 78 2.342 25.095 16.706 622 HB2 GLN 78 HB2 GLN 78 0.680 23.485 16.960 623 HB3 GLN 78 HB3 GLN 78 -0.500 24.620 17.618 624 HG2 GLN 78 HG2 GLN 78 0.593 25.270 14.896 625 HG3 GLN 78 HG3 GLN 78 -0.393 23.844 14.983 626 HE21 GLN 78 HE21 GLN 78 -2.291 27.317 14.764 627 HE22 GLN 78 HE22 GLN 78 -0.533 27.219 14.592 628 H LEU 79 H LEU 79 0.172 27.059 18.708 629 HA LEU 79 HA LEU 79 -0.130 29.308 16.953 630 HB2 LEU 79 HB2 LEU 79 -0.431 28.649 19.865 631 HB3 LEU 79 HB3 LEU 79 -0.185 30.343 19.524 632 HG LEU 79 HG LEU 79 -2.166 30.492 18.179 633 HD11 LEU 79 HD11 LEU 79 -2.470 27.485 18.538 634 HD12 LEU 79 HD12 LEU 79 -3.709 28.556 17.860 635 HD13 LEU 79 HD13 LEU 79 -2.190 28.347 17.017 636 HD21 LEU 79 HD21 LEU 79 -2.529 28.934 20.771 637 HD22 LEU 79 HD22 LEU 79 -2.332 30.691 20.612 638 HD23 LEU 79 HD23 LEU 79 -3.791 29.912 20.005 639 H THR 80 H THR 80 2.473 28.360 19.129 640 HA THR 80 HA THR 80 3.748 30.974 19.227 641 HB THR 80 HB THR 80 4.277 28.201 20.316 642 HG1 THR 80 HG1 THR 80 2.785 29.151 21.433 643 HG21 THR 80 HG21 THR 80 6.013 30.651 20.511 644 HG22 THR 80 HG22 THR 80 6.084 29.288 21.668 645 HG23 THR 80 HG23 THR 80 6.432 28.998 19.946 646 H LEU 81 H LEU 81 4.404 27.883 17.624 647 HA LEU 81 HA LEU 81 6.930 27.650 17.000 648 HB2 LEU 81 HB2 LEU 81 4.807 27.649 14.848 649 HB3 LEU 81 HB3 LEU 81 6.390 26.858 14.760 650 HG LEU 81 HG LEU 81 4.066 26.180 16.519 651 HD11 LEU 81 HD11 LEU 81 3.909 25.600 14.163 652 HD12 LEU 81 HD12 LEU 81 5.408 24.648 14.287 653 HD13 LEU 81 HD13 LEU 81 3.957 24.165 15.201 654 HD21 LEU 81 HD21 LEU 81 6.099 25.738 17.815 655 HD22 LEU 81 HD22 LEU 81 5.391 24.216 17.266 656 HD23 LEU 81 HD23 LEU 81 6.813 24.869 16.421 657 H LEU 82 H LEU 82 5.148 29.594 14.644 658 HA LEU 82 HA LEU 82 7.648 30.348 13.429 659 HB2 LEU 82 HB2 LEU 82 4.888 31.478 12.834 660 HB3 LEU 82 HB3 LEU 82 6.255 31.456 11.737 661 HG LEU 82 HG LEU 82 4.701 28.999 12.684 662 HD11 LEU 82 HD11 LEU 82 4.727 30.423 10.002 663 HD12 LEU 82 HD12 LEU 82 3.899 28.888 10.370 664 HD13 LEU 82 HD13 LEU 82 3.383 30.384 11.161 665 HD21 LEU 82 HD21 LEU 82 6.845 29.221 10.538 666 HD22 LEU 82 HD22 LEU 82 7.081 28.471 12.140 667 HD23 LEU 82 HD23 LEU 82 5.943 27.761 10.988 668 H SER 83 H SER 83 6.013 31.708 16.020 669 HA SER 83 HA SER 83 6.964 34.497 15.591 670 HB2 SER 83 HB2 SER 83 4.533 34.006 16.057 671 HB3 SER 83 HB3 SER 83 5.016 33.427 17.661 672 HG SER 83 HG SER 83 6.011 35.516 17.957 673 H LYS 84 H LYS 84 8.163 31.747 16.993 674 HA LYS 84 HA LYS 84 8.795 32.231 19.642 675 HB2 LYS 84 HB2 LYS 84 10.318 30.813 17.428 676 HB3 LYS 84 HB3 LYS 84 10.938 30.854 19.079 677 HG2 LYS 84 HG2 LYS 84 8.971 29.761 19.959 678 HG3 LYS 84 HG3 LYS 84 8.167 29.805 18.382 679 HD2 LYS 84 HD2 LYS 84 9.880 28.346 17.409 680 HD3 LYS 84 HD3 LYS 84 10.795 28.331 18.921 681 HE2 LYS 84 HE2 LYS 84 7.911 27.341 18.716 682 HE3 LYS 84 HE3 LYS 84 9.293 26.294 18.399 683 HZ1 LYS 84 HZ1 LYS 84 10.076 26.624 20.634 684 HZ2 LYS 84 HZ2 LYS 84 8.938 27.730 20.982 685 HZ3 LYS 84 HZ3 LYS 84 8.512 26.177 20.747 686 H LYS 85 H LYS 85 10.427 33.845 16.979 687 HA LYS 85 HA LYS 85 12.740 34.743 18.478 688 HB2 LYS 85 HB2 LYS 85 11.459 35.773 15.907 689 HB3 LYS 85 HB3 LYS 85 12.999 36.338 16.555 690 HG2 LYS 85 HG2 LYS 85 13.938 34.038 16.400 691 HG3 LYS 85 HG3 LYS 85 12.405 33.454 15.753 692 HD2 LYS 85 HD2 LYS 85 13.921 33.757 13.913 693 HD3 LYS 85 HD3 LYS 85 12.630 34.945 13.795 694 HE2 LYS 85 HE2 LYS 85 14.675 36.032 13.204 695 HE3 LYS 85 HE3 LYS 85 14.168 36.681 14.762 696 HZ1 LYS 85 HZ1 LYS 85 16.247 34.595 14.374 697 HZ2 LYS 85 HZ2 LYS 85 16.535 36.158 14.717 698 HZ3 LYS 85 HZ3 LYS 85 15.808 35.212 15.821 699 H HIS 86 H HIS 86 9.535 35.717 18.741 700 HA HIS 86 HA HIS 86 8.350 37.469 19.422 701 HB2 HIS 86 HB2 HIS 86 8.844 38.386 21.518 702 HB3 HIS 86 HB3 HIS 86 9.414 36.730 21.486 703 HD2 HIS 86 HD2 HIS 86 10.838 40.362 21.347 704 HE1 HIS 86 HE1 HIS 86 13.880 37.854 22.973 705 HE2 HIS 86 HE2 HIS 86 13.245 40.250 22.415 706 H GLY 87 H GLY 87 8.267 39.964 19.991 707 HA2 GLY 87 HA2 GLY 87 8.390 42.092 19.149 708 HA3 GLY 87 HA3 GLY 87 9.983 41.719 18.495 709 H GLN 88 H GLN 88 7.801 39.512 17.193 710 HA GLN 88 HA GLN 88 7.590 40.854 14.601 711 HB2 GLN 88 HB2 GLN 88 8.158 38.482 14.757 712 HB3 GLN 88 HB3 GLN 88 6.667 38.133 15.636 713 HG2 GLN 88 HG2 GLN 88 5.313 38.631 13.674 714 HG3 GLN 88 HG3 GLN 88 6.723 39.257 12.804 715 HE21 GLN 88 HE21 GLN 88 6.313 35.936 11.385 716 HE22 GLN 88 HE22 GLN 88 5.584 37.533 11.276 717 H LEU 89 H LEU 89 5.609 41.307 13.586 718 HA LEU 89 HA LEU 89 3.356 42.164 15.243 719 HB2 LEU 89 HB2 LEU 89 4.196 43.254 13.113 720 HB3 LEU 89 HB3 LEU 89 3.529 41.900 12.203 721 HG LEU 89 HG LEU 89 1.925 43.804 13.980 722 HD11 LEU 89 HD11 LEU 89 1.158 44.814 11.885 723 HD12 LEU 89 HD12 LEU 89 2.920 44.929 12.020 724 HD13 LEU 89 HD13 LEU 89 2.195 43.707 10.951 725 HD21 LEU 89 HD21 LEU 89 -0.041 42.943 12.653 726 HD22 LEU 89 HD22 LEU 89 0.999 41.663 12.008 727 HD23 LEU 89 HD23 LEU 89 0.641 41.745 13.747 728 H LYS 90 H LYS 90 2.883 40.288 16.354 729 HA LYS 90 HA LYS 90 2.332 37.737 15.356 730 HB2 LYS 90 HB2 LYS 90 2.561 38.265 17.732 731 HB3 LYS 90 HB3 LYS 90 1.087 39.244 17.677 732 HG2 LYS 90 HG2 LYS 90 0.771 37.170 18.856 733 HG3 LYS 90 HG3 LYS 90 -0.304 37.318 17.468 734 HD2 LYS 90 HD2 LYS 90 0.756 35.650 16.263 735 HD3 LYS 90 HD3 LYS 90 2.260 35.720 17.219 736 HE2 LYS 90 HE2 LYS 90 1.315 34.597 19.072 737 HE3 LYS 90 HE3 LYS 90 -0.332 35.085 18.647 738 HZ1 LYS 90 HZ1 LYS 90 1.265 32.926 17.317 739 HZ2 LYS 90 HZ2 LYS 90 -0.041 32.751 18.241 740 HZ3 LYS 90 HZ3 LYS 90 -0.205 33.442 16.774 741 H LEU 91 H LEU 91 0.062 40.519 15.302 742 HA LEU 91 HA LEU 91 -2.202 39.067 14.656 743 HB2 LEU 91 HB2 LEU 91 -2.106 41.423 15.388 744 HB3 LEU 91 HB3 LEU 91 -1.622 41.847 13.741 745 HG LEU 91 HG LEU 91 -3.718 41.214 12.828 746 HD11 LEU 91 HD11 LEU 91 -4.360 39.254 14.108 747 HD12 LEU 91 HD12 LEU 91 -4.464 40.215 15.611 748 HD13 LEU 91 HD13 LEU 91 -5.625 40.464 14.291 749 HD21 LEU 91 HD21 LEU 91 -3.551 43.439 13.863 750 HD22 LEU 91 HD22 LEU 91 -5.198 42.798 13.963 751 HD23 LEU 91 HD23 LEU 91 -4.155 42.779 15.399 752 H SER 92 H SER 92 0.481 39.208 12.759 753 HA SER 92 HA SER 92 -0.863 38.814 10.159 754 HB2 SER 92 HB2 SER 92 1.283 40.054 10.238 755 HB3 SER 92 HB3 SER 92 2.070 38.649 10.970 756 HG SER 92 HG SER 92 1.015 38.925 8.351 757 H ILE 93 H ILE 93 1.068 36.912 12.505 758 HA ILE 93 HA ILE 93 0.431 34.374 11.087 759 HB ILE 93 HB ILE 93 2.716 34.927 11.810 760 HG12 ILE 93 HG12 ILE 93 1.623 32.524 11.537 761 HG13 ILE 93 HG13 ILE 93 3.299 32.799 11.938 762 HG21 ILE 93 HG21 ILE 93 3.475 34.694 14.076 763 HG22 ILE 93 HG22 ILE 93 2.320 36.022 13.928 764 HG23 ILE 93 HG23 ILE 93 1.802 34.479 14.648 765 HD11 ILE 93 HD11 ILE 93 1.173 32.093 14.012 766 HD12 ILE 93 HD12 ILE 93 2.300 30.955 13.266 767 HD13 ILE 93 HD13 ILE 93 2.921 32.253 14.297 768 H GLN 94 H GLN 94 -0.873 36.262 13.550 769 HA GLN 94 HA GLN 94 -2.186 34.559 15.274 770 HB2 GLN 94 HB2 GLN 94 -2.165 36.884 15.506 771 HB3 GLN 94 HB3 GLN 94 -3.013 37.147 13.964 772 HG2 GLN 94 HG2 GLN 94 -4.253 35.788 16.376 773 HG3 GLN 94 HG3 GLN 94 -4.194 37.541 16.164 774 HE21 GLN 94 HE21 GLN 94 -7.531 36.527 14.943 775 HE22 GLN 94 HE22 GLN 94 -6.690 36.491 16.488 776 H TYR 95 H TYR 95 -2.930 35.183 11.874 777 HA TYR 95 HA TYR 95 -5.388 33.998 11.412 778 HB2 TYR 95 HB2 TYR 95 -3.895 35.038 9.744 779 HB3 TYR 95 HB3 TYR 95 -2.778 33.694 9.870 780 HD1 TYR 95 HD1 TYR 95 -3.269 31.510 8.830 781 HD2 TYR 95 HD2 TYR 95 -6.036 34.813 8.540 782 HE1 TYR 95 HE1 TYR 95 -4.471 30.347 6.983 783 HE2 TYR 95 HE2 TYR 95 -7.227 33.652 6.683 784 HH TYR 95 HH TYR 95 -7.278 31.816 5.328 785 H MET 96 H MET 96 -2.396 32.244 12.252 786 HA MET 96 HA MET 96 -3.277 29.559 11.718 787 HB2 MET 96 HB2 MET 96 -1.263 30.778 13.633 788 HB3 MET 96 HB3 MET 96 -1.357 29.045 13.275 789 HG2 MET 96 HG2 MET 96 -0.699 31.236 11.266 790 HG3 MET 96 HG3 MET 96 0.438 30.108 11.997 791 HE1 MET 96 HE1 MET 96 0.405 28.981 8.258 792 HE2 MET 96 HE2 MET 96 0.277 30.632 8.896 793 HE3 MET 96 HE3 MET 96 1.409 29.479 9.635 794 H ILE 97 H ILE 97 -4.015 31.728 14.319 795 HA ILE 97 HA ILE 97 -4.613 29.840 16.362 796 HB ILE 97 HB ILE 97 -4.353 32.448 16.447 797 HG12 ILE 97 HG12 ILE 97 -6.444 31.292 18.311 798 HG13 ILE 97 HG13 ILE 97 -4.788 30.712 18.309 799 HG21 ILE 97 HG21 ILE 97 -6.398 33.726 16.573 800 HG22 ILE 97 HG22 ILE 97 -6.483 32.836 15.045 801 HG23 ILE 97 HG23 ILE 97 -7.398 32.269 16.444 802 HD11 ILE 97 HD11 ILE 97 -5.610 33.585 18.824 803 HD12 ILE 97 HD12 ILE 97 -5.013 32.392 20.012 804 HD13 ILE 97 HD13 ILE 97 -3.936 33.010 18.737 805 H GLN 98 H GLN 98 -6.349 30.413 13.477 806 HA GLN 98 HA GLN 98 -8.997 29.896 14.302 807 HB2 GLN 98 HB2 GLN 98 -7.534 29.317 11.708 808 HB3 GLN 98 HB3 GLN 98 -9.277 29.075 11.908 809 HG2 GLN 98 HG2 GLN 98 -9.631 31.425 12.435 810 HG3 GLN 98 HG3 GLN 98 -7.894 31.748 12.408 811 HE21 GLN 98 HE21 GLN 98 -7.652 31.774 8.839 812 HE22 GLN 98 HE22 GLN 98 -6.737 31.472 10.314 813 H LYS 99 H LYS 99 -6.334 27.572 14.071 814 HA LYS 99 HA LYS 99 -8.085 25.234 14.314 815 HB2 LYS 99 HB2 LYS 99 -5.074 25.435 14.768 816 HB3 LYS 99 HB3 LYS 99 -6.004 23.984 14.469 817 HG2 LYS 99 HG2 LYS 99 -5.305 26.203 12.535 818 HG3 LYS 99 HG3 LYS 99 -4.873 24.515 12.449 819 HD2 LYS 99 HD2 LYS 99 -7.646 25.715 11.958 820 HD3 LYS 99 HD3 LYS 99 -6.524 25.127 10.739 821 HE2 LYS 99 HE2 LYS 99 -6.711 22.814 11.790 822 HE3 LYS 99 HE3 LYS 99 -7.978 23.457 12.842 823 HZ1 LYS 99 HZ1 LYS 99 -8.933 22.417 10.867 824 HZ2 LYS 99 HZ2 LYS 99 -9.256 24.013 10.801 825 HZ3 LYS 99 HZ3 LYS 99 -8.091 23.371 9.866 826 H VAL 100 H VAL 100 -6.226 27.323 16.587 827 HA VAL 100 HA VAL 100 -7.019 25.802 18.879 828 HB VAL 100 HB VAL 100 -5.853 28.469 18.307 829 HG11 VAL 100 HG11 VAL 100 -7.628 29.407 19.665 830 HG12 VAL 100 HG12 VAL 100 -7.302 28.235 20.957 831 HG13 VAL 100 HG13 VAL 100 -6.096 29.454 20.519 832 HG21 VAL 100 HG21 VAL 100 -4.598 26.449 18.994 833 HG22 VAL 100 HG22 VAL 100 -4.389 27.742 20.189 834 HG23 VAL 100 HG23 VAL 100 -5.490 26.435 20.531 835 H MET 101 H MET 101 -8.538 28.638 17.357 836 HA MET 101 HA MET 101 -10.926 28.665 18.853 837 HB2 MET 101 HB2 MET 101 -10.422 29.510 15.978 838 HB3 MET 101 HB3 MET 101 -11.847 29.927 16.927 839 HG2 MET 101 HG2 MET 101 -10.408 31.102 18.582 840 HG3 MET 101 HG3 MET 101 -8.992 30.720 17.607 841 HE1 MET 101 HE1 MET 101 -12.205 32.873 18.018 842 HE2 MET 101 HE2 MET 101 -12.312 33.758 16.482 843 HE3 MET 101 HE3 MET 101 -12.669 32.023 16.525 844 H GLU 102 H GLU 102 -9.934 26.177 16.827 845 HA GLU 102 HA GLU 102 -12.636 25.360 16.067 846 HB2 GLU 102 HB2 GLU 102 -10.828 25.086 14.434 847 HB3 GLU 102 HB3 GLU 102 -10.021 23.955 15.504 848 HG2 GLU 102 HG2 GLU 102 -11.209 22.845 13.682 849 HG3 GLU 102 HG3 GLU 102 -11.770 22.324 15.264 850 H TYR 103 H TYR 103 -10.347 22.941 17.328 851 HA TYR 103 HA TYR 103 -12.685 22.016 18.887 852 HB2 TYR 103 HB2 TYR 103 -11.816 20.415 17.288 853 HB3 TYR 103 HB3 TYR 103 -10.249 20.444 18.089 854 HD1 TYR 103 HD1 TYR 103 -13.871 19.684 18.642 855 HD2 TYR 103 HD2 TYR 103 -9.836 19.108 20.048 856 HE1 TYR 103 HE1 TYR 103 -14.709 18.143 20.403 857 HE2 TYR 103 HE2 TYR 103 -10.677 17.589 21.838 858 HH TYR 103 HH TYR 103 -14.099 16.669 22.073 859 H LEU 104 H LEU 104 -9.307 22.847 19.333 860 HA LEU 104 HA LEU 104 -8.928 22.278 22.071 861 HB2 LEU 104 HB2 LEU 104 -7.238 22.868 20.475 862 HB3 LEU 104 HB3 LEU 104 -7.953 24.408 20.149 863 HG LEU 104 HG LEU 104 -5.826 24.524 21.366 864 HD11 LEU 104 HD11 LEU 104 -6.443 26.296 22.792 865 HD12 LEU 104 HD12 LEU 104 -7.807 26.226 21.652 866 HD13 LEU 104 HD13 LEU 104 -7.971 25.549 23.269 867 HD21 LEU 104 HD21 LEU 104 -5.924 22.572 22.686 868 HD22 LEU 104 HD22 LEU 104 -5.715 23.966 23.752 869 HD23 LEU 104 HD23 LEU 104 -7.306 23.172 23.643 870 H LYS 105 H LYS 105 -10.368 25.173 20.551 871 HA LYS 105 HA LYS 105 -11.299 26.480 22.911 872 HB2 LYS 105 HB2 LYS 105 -10.869 27.484 20.750 873 HB3 LYS 105 HB3 LYS 105 -12.111 26.497 19.974 874 HG2 LYS 105 HG2 LYS 105 -13.222 28.462 20.117 875 HG3 LYS 105 HG3 LYS 105 -13.697 27.817 21.700 876 HD2 LYS 105 HD2 LYS 105 -11.762 29.049 22.720 877 HD3 LYS 105 HD3 LYS 105 -11.307 29.637 21.107 878 HE2 LYS 105 HE2 LYS 105 -12.462 31.417 22.270 879 HE3 LYS 105 HE3 LYS 105 -13.451 30.864 20.920 880 HZ1 LYS 105 HZ1 LYS 105 -13.877 30.091 23.762 881 HZ2 LYS 105 HZ2 LYS 105 -14.745 31.196 22.954 882 HZ3 LYS 105 HZ3 LYS 105 -14.826 29.638 22.509 883 H SER 106 H SER 106 -13.136 24.657 20.498 884 HA SER 106 HA SER 106 -15.539 24.811 22.056 885 HB2 SER 106 HB2 SER 106 -16.680 23.781 20.219 886 HB3 SER 106 HB3 SER 106 -15.566 25.015 19.626 887 HG SER 106 HG SER 106 -14.217 23.505 18.887 888 H SER 107 H SER 107 -13.155 22.459 22.491 889 HA SER 107 HA SER 107 -14.735 20.165 23.060 890 HB2 SER 107 HB2 SER 107 -12.257 20.180 22.785 891 HB3 SER 107 HB3 SER 107 -12.116 20.993 24.351 892 HG SER 107 HG SER 107 -12.925 18.371 23.709 893 H LYS 108 H LYS 108 -16.553 21.057 24.038 894 HA LYS 108 HA LYS 108 -18.078 21.502 25.587 895 HB2 LYS 108 HB2 LYS 108 -16.013 20.921 27.734 896 HB3 LYS 108 HB3 LYS 108 -17.729 21.229 28.001 897 HG2 LYS 108 HG2 LYS 108 -18.304 19.241 26.618 898 HG3 LYS 108 HG3 LYS 108 -16.574 18.906 26.392 899 HD2 LYS 108 HD2 LYS 108 -16.302 18.655 28.844 900 HD3 LYS 108 HD3 LYS 108 -18.035 18.990 29.075 901 HE2 LYS 108 HE2 LYS 108 -18.593 17.001 27.676 902 HE3 LYS 108 HE3 LYS 108 -16.870 16.673 27.453 903 HZ1 LYS 108 HZ1 LYS 108 -18.281 16.653 30.064 904 HZ2 LYS 108 HZ2 LYS 108 -17.810 15.331 29.235 905 HZ3 LYS 108 HZ3 LYS 108 -16.697 16.342 29.856 906 H SER 109 H SER 109 -15.255 22.812 26.889 907 HA SER 109 HA SER 109 -15.454 25.408 25.859 908 HB2 SER 109 HB2 SER 109 -17.329 25.526 27.660 909 HB3 SER 109 HB3 SER 109 -16.026 25.478 28.855 910 HG SER 109 HG SER 109 -16.691 27.604 28.316 911 H LEU 110 H LEU 110 -13.750 23.129 26.692 912 HA LEU 110 HA LEU 110 -11.810 22.441 27.536 913 HB2 LEU 110 HB2 LEU 110 -11.105 24.089 25.826 914 HB3 LEU 110 HB3 LEU 110 -10.877 25.283 27.102 915 HG LEU 110 HG LEU 110 -9.126 23.768 28.129 916 HD11 LEU 110 HD11 LEU 110 -9.541 22.223 25.534 917 HD12 LEU 110 HD12 LEU 110 -8.136 22.037 26.591 918 HD13 LEU 110 HD13 LEU 110 -9.738 21.596 27.188 919 HD21 LEU 110 HD21 LEU 110 -8.598 25.686 26.612 920 HD22 LEU 110 HD22 LEU 110 -7.408 24.380 26.486 921 HD23 LEU 110 HD23 LEU 110 -8.645 24.577 25.240 922 H ASP 111 H ASP 111 -10.597 22.062 29.429 923 HA ASP 111 HA ASP 111 -11.636 23.187 31.864 924 HB2 ASP 111 HB2 ASP 111 -9.158 21.498 31.431 925 HB3 ASP 111 HB3 ASP 111 -9.873 21.927 32.988 926 H LEU 112 H LEU 112 -10.822 24.696 33.180 927 HA LEU 112 HA LEU 112 -9.462 26.900 32.073 928 HB2 LEU 112 HB2 LEU 112 -9.846 26.086 34.982 929 HB3 LEU 112 HB3 LEU 112 -9.152 27.626 34.520 930 HG LEU 112 HG LEU 112 -11.901 26.737 33.542 931 HD11 LEU 112 HD11 LEU 112 -12.840 28.116 35.359 932 HD12 LEU 112 HD12 LEU 112 -11.873 26.774 36.007 933 HD13 LEU 112 HD13 LEU 112 -11.200 28.425 35.983 934 HD21 LEU 112 HD21 LEU 112 -10.881 28.584 32.260 935 HD22 LEU 112 HD22 LEU 112 -12.247 29.170 33.219 936 HD23 LEU 112 HD23 LEU 112 -10.583 29.475 33.764 937 H ASN 113 H ASN 113 -8.109 24.529 34.332 938 HA ASN 113 HA ASN 113 -5.597 25.776 34.518 939 HB2 ASN 113 HB2 ASN 113 -6.305 22.817 34.808 940 HB3 ASN 113 HB3 ASN 113 -4.797 23.532 35.377 941 HD21 ASN 113 HD21 ASN 113 -7.578 23.402 38.060 942 HD22 ASN 113 HD22 ASN 113 -7.239 22.230 36.798 943 H THR 114 H THR 114 -6.811 23.648 32.025 944 HA THR 114 HA THR 114 -4.253 23.362 30.604 945 HB THR 114 HB THR 114 -7.133 22.551 30.127 946 HG1 THR 114 HG1 THR 114 -5.791 20.545 29.852 947 HG21 THR 114 HG21 THR 114 -6.327 23.259 27.976 948 HG22 THR 114 HG22 THR 114 -4.837 22.304 28.163 949 HG23 THR 114 HG23 THR 114 -6.440 21.503 28.051 950 H ARG 115 H ARG 115 -7.366 25.110 30.064 951 HA ARG 115 HA ARG 115 -6.649 26.555 27.776 952 HB2 ARG 115 HB2 ARG 115 -8.933 26.461 28.784 953 HB3 ARG 115 HB3 ARG 115 -8.401 27.545 30.080 954 HG2 ARG 115 HG2 ARG 115 -7.926 29.348 28.502 955 HG3 ARG 115 HG3 ARG 115 -8.161 28.243 27.119 956 HD2 ARG 115 HD2 ARG 115 -10.560 27.955 28.006 957 HD3 ARG 115 HD3 ARG 115 -10.189 29.337 29.058 958 HE ARG 115 HE ARG 115 -9.781 29.513 26.074 959 HH11 ARG 115 HH11 ARG 115 -11.678 30.669 28.814 960 HH12 ARG 115 HH12 ARG 115 -12.314 32.006 27.888 961 HH21 ARG 115 HH21 ARG 115 -11.727 32.335 25.848 962 HH22 ARG 115 HH22 ARG 115 -10.593 31.289 25.030 963 H ILE 116 H ILE 116 -6.022 27.446 31.100 964 HA ILE 116 HA ILE 116 -4.838 29.923 30.928 965 HB ILE 116 HB ILE 116 -4.484 27.474 32.559 966 HG12 ILE 116 HG12 ILE 116 -4.920 30.436 33.237 967 HG13 ILE 116 HG13 ILE 116 -6.216 29.340 32.806 968 HG21 ILE 116 HG21 ILE 116 -2.721 28.365 34.000 969 HG22 ILE 116 HG22 ILE 116 -2.159 27.996 32.373 970 HG23 ILE 116 HG23 ILE 116 -2.443 29.696 32.847 971 HD11 ILE 116 HD11 ILE 116 -4.462 29.095 35.286 972 HD12 ILE 116 HD12 ILE 116 -6.152 29.613 35.211 973 HD13 ILE 116 HD13 ILE 116 -5.734 27.941 34.806 974 H SER 117 H SER 117 -3.441 26.964 29.797 975 HA SER 117 HA SER 117 -0.715 27.805 29.429 976 HB2 SER 117 HB2 SER 117 -1.443 25.433 29.500 977 HB3 SER 117 HB3 SER 117 -2.270 25.646 27.946 978 HG SER 117 HG SER 117 -0.182 24.669 27.843 979 H VAL 118 H VAL 118 -3.589 27.885 27.371 980 HA VAL 118 HA VAL 118 -2.119 29.025 25.074 981 HB VAL 118 HB VAL 118 -3.548 27.236 24.586 982 HG11 VAL 118 HG11 VAL 118 -5.977 27.195 24.828 983 HG12 VAL 118 HG12 VAL 118 -5.117 27.209 26.370 984 HG13 VAL 118 HG13 VAL 118 -5.930 28.693 25.764 985 HG21 VAL 118 HG21 VAL 118 -3.426 29.172 22.966 986 HG22 VAL 118 HG22 VAL 118 -4.909 28.220 22.799 987 HG23 VAL 118 HG23 VAL 118 -4.948 29.792 23.620 988 H ILE 119 H ILE 119 -4.862 30.053 27.258 989 HA ILE 119 HA ILE 119 -5.317 32.445 25.991 990 HB ILE 119 HB ILE 119 -6.514 31.013 27.824 991 HG12 ILE 119 HG12 ILE 119 -7.773 32.883 28.713 992 HG13 ILE 119 HG13 ILE 119 -6.596 34.029 28.020 993 HG21 ILE 119 HG21 ILE 119 -5.172 32.830 29.790 994 HG22 ILE 119 HG22 ILE 119 -6.219 31.387 30.042 995 HG23 ILE 119 HG23 ILE 119 -4.588 31.208 29.359 996 HD11 ILE 119 HD11 ILE 119 -8.126 31.971 26.369 997 HD12 ILE 119 HD12 ILE 119 -8.743 33.622 26.663 998 HD13 ILE 119 HD13 ILE 119 -7.229 33.382 25.766 999 H GLU 120 H GLU 120 -2.797 31.757 28.436 1000 HA GLU 120 HA GLU 120 -1.870 34.473 28.643 1001 HB2 GLU 120 HB2 GLU 120 -0.841 31.742 29.391 1002 HB3 GLU 120 HB3 GLU 120 0.304 33.097 29.318 1003 HG2 GLU 120 HG2 GLU 120 -1.073 34.451 30.786 1004 HG3 GLU 120 HG3 GLU 120 -2.296 33.181 30.894 1005 H THR 121 H THR 121 -1.136 31.833 26.395 1006 HA THR 121 HA THR 121 1.200 33.002 25.217 1007 HB THR 121 HB THR 121 -0.055 30.602 24.992 1008 HG1 THR 121 HG1 THR 121 1.571 30.125 23.786 1009 HG21 THR 121 HG21 THR 121 -0.633 30.096 22.730 1010 HG22 THR 121 HG22 THR 121 -1.712 31.413 23.196 1011 HG23 THR 121 HG23 THR 121 -0.307 31.753 22.183 1012 H ILE 122 H ILE 122 -2.232 33.183 24.270 1013 HA ILE 122 HA ILE 122 -1.706 34.980 22.071 1014 HB ILE 122 HB ILE 122 -3.493 33.472 21.976 1015 HG12 ILE 122 HG12 ILE 122 -3.783 35.609 20.762 1016 HG13 ILE 122 HG13 ILE 122 -5.225 34.657 21.090 1017 HG21 ILE 122 HG21 ILE 122 -5.560 33.643 23.315 1018 HG22 ILE 122 HG22 ILE 122 -4.126 33.089 24.170 1019 HG23 ILE 122 HG23 ILE 122 -4.710 34.759 24.413 1020 HD11 ILE 122 HD11 ILE 122 -5.705 37.033 21.311 1021 HD12 ILE 122 HD12 ILE 122 -5.916 36.222 22.868 1022 HD13 ILE 122 HD13 ILE 122 -4.479 37.222 22.563 1023 H ARG 123 H ARG 123 -2.647 35.508 25.475 1024 HA ARG 123 HA ARG 123 -2.867 38.352 25.388 1025 HB2 ARG 123 HB2 ARG 123 -3.584 36.894 27.255 1026 HB3 ARG 123 HB3 ARG 123 -1.897 36.520 27.636 1027 HG2 ARG 123 HG2 ARG 123 -1.491 38.912 28.173 1028 HG3 ARG 123 HG3 ARG 123 -3.186 39.282 27.777 1029 HD2 ARG 123 HD2 ARG 123 -3.938 37.724 29.549 1030 HD3 ARG 123 HD3 ARG 123 -2.249 37.333 29.931 1031 HE ARG 123 HE ARG 123 -2.555 40.155 30.114 1032 HH11 ARG 123 HH11 ARG 123 -3.657 37.338 31.907 1033 HH12 ARG 123 HH12 ARG 123 -3.746 38.240 33.400 1034 HH21 ARG 123 HH21 ARG 123 -2.707 41.209 32.043 1035 HH22 ARG 123 HH22 ARG 123 -3.251 40.354 33.468 1036 H VAL 124 H VAL 124 0.085 36.386 26.087 1037 HA VAL 124 HA VAL 124 1.644 38.789 26.372 1038 HB VAL 124 HB VAL 124 1.849 36.690 27.736 1039 HG11 VAL 124 HG11 VAL 124 3.736 35.735 25.551 1040 HG12 VAL 124 HG12 VAL 124 3.314 34.937 27.083 1041 HG13 VAL 124 HG13 VAL 124 2.108 35.077 25.803 1042 HG21 VAL 124 HG21 VAL 124 4.399 37.878 26.585 1043 HG22 VAL 124 HG22 VAL 124 3.408 38.579 27.887 1044 HG23 VAL 124 HG23 VAL 124 4.224 37.027 28.138 1045 H VAL 125 H VAL 125 1.478 36.290 23.808 1046 HA VAL 125 HA VAL 125 3.820 37.313 22.470 1047 HB VAL 125 HB VAL 125 1.728 35.400 21.419 1048 HG11 VAL 125 HG11 VAL 125 3.032 36.391 19.572 1049 HG12 VAL 125 HG12 VAL 125 4.538 36.089 20.451 1050 HG13 VAL 125 HG13 VAL 125 3.569 34.725 19.863 1051 HG21 VAL 125 HG21 VAL 125 3.443 33.696 22.000 1052 HG22 VAL 125 HG22 VAL 125 4.484 34.970 22.682 1053 HG23 VAL 125 HG23 VAL 125 2.935 34.566 23.444 1054 H THR 126 H THR 126 0.406 38.140 22.233 1055 HA THR 126 HA THR 126 0.771 39.782 19.810 1056 HB THR 126 HB THR 126 -1.494 40.589 20.228 1057 HG1 THR 126 HG1 THR 126 -1.770 38.826 22.379 1058 HG21 THR 126 HG21 THR 126 -2.768 38.407 20.199 1059 HG22 THR 126 HG22 THR 126 -1.529 38.596 18.961 1060 HG23 THR 126 HG23 THR 126 -1.218 37.558 20.376 1061 H GLU 127 H GLU 127 1.413 40.366 23.187 1062 HA GLU 127 HA GLU 127 0.978 43.291 22.777 1063 HB2 GLU 127 HB2 GLU 127 0.683 43.577 25.026 1064 HB3 GLU 127 HB3 GLU 127 -0.167 42.083 24.642 1065 HG2 GLU 127 HG2 GLU 127 1.840 40.816 25.518 1066 HG3 GLU 127 HG3 GLU 127 2.558 42.349 26.002 1067 H ASN 128 H ASN 128 3.686 41.133 23.333 1068 HA ASN 128 HA ASN 128 5.490 43.021 24.430 1069 HB2 ASN 128 HB2 ASN 128 7.241 41.409 23.886 1070 HB3 ASN 128 HB3 ASN 128 5.825 40.584 24.523 1071 HD21 ASN 128 HD21 ASN 128 5.127 38.887 21.488 1072 HD22 ASN 128 HD22 ASN 128 4.644 39.187 23.157 1073 H LYS 129 H LYS 129 4.271 43.142 21.289 1074 HA LYS 129 HA LYS 129 6.475 44.352 19.867 1075 HB2 LYS 129 HB2 LYS 129 4.356 43.351 18.884 1076 HB3 LYS 129 HB3 LYS 129 3.484 44.769 19.468 1077 HG2 LYS 129 HG2 LYS 129 4.018 45.051 17.124 1078 HG3 LYS 129 HG3 LYS 129 4.954 46.218 18.067 1079 HD2 LYS 129 HD2 LYS 129 6.972 44.893 17.844 1080 HD3 LYS 129 HD3 LYS 129 6.071 43.563 17.090 1081 HE2 LYS 129 HE2 LYS 129 5.654 44.844 15.097 1082 HE3 LYS 129 HE3 LYS 129 6.164 46.352 15.873 1083 HZ1 LYS 129 HZ1 LYS 129 8.025 44.081 15.443 1084 HZ2 LYS 129 HZ2 LYS 129 7.859 45.330 14.377 1085 HZ3 LYS 129 HZ3 LYS 129 8.409 45.592 15.918 1086 H ILE 130 H ILE 130 4.142 45.615 22.139 1087 HA ILE 130 HA ILE 130 3.685 47.562 23.079 1088 HB ILE 130 HB ILE 130 5.476 48.755 24.129 1089 HG12 ILE 130 HG12 ILE 130 7.512 47.093 22.601 1090 HG13 ILE 130 HG13 ILE 130 7.100 48.757 22.176 1091 HG21 ILE 130 HG21 ILE 130 6.323 46.959 25.450 1092 HG22 ILE 130 HG22 ILE 130 4.685 46.527 24.951 1093 HG23 ILE 130 HG23 ILE 130 6.085 45.787 24.144 1094 HD11 ILE 130 HD11 ILE 130 7.802 49.463 24.493 1095 HD12 ILE 130 HD12 ILE 130 8.344 47.792 24.789 1096 HD13 ILE 130 HD13 ILE 130 9.111 48.754 23.525 1097 H PHE 131 H PHE 131 3.778 49.967 23.238 1098 HA PHE 131 HA PHE 131 3.054 51.096 20.724 1099 HB2 PHE 131 HB2 PHE 131 3.598 52.528 23.346 1100 HB3 PHE 131 HB3 PHE 131 2.641 53.124 22.002 1101 HD1 PHE 131 HD1 PHE 131 0.573 51.647 21.276 1102 HD2 PHE 131 HD2 PHE 131 2.482 51.453 25.142 1103 HE1 PHE 131 HE1 PHE 131 -1.487 50.652 22.251 1104 HE2 PHE 131 HE2 PHE 131 0.422 50.454 26.109 1105 HZ PHE 131 HZ PHE 131 -1.568 50.055 24.664 1106 H VAL 132 H VAL 132 6.160 50.878 22.157 1107 HA VAL 132 HA VAL 132 7.350 53.323 21.336 1108 HB VAL 132 HB VAL 132 8.426 50.620 22.150 1109 HG11 VAL 132 HG11 VAL 132 10.166 51.447 20.701 1110 HG12 VAL 132 HG12 VAL 132 10.105 53.061 21.461 1111 HG13 VAL 132 HG13 VAL 132 10.683 51.650 22.377 1112 HG21 VAL 132 HG21 VAL 132 8.499 53.357 23.495 1113 HG22 VAL 132 HG22 VAL 132 7.371 52.042 23.893 1114 HG23 VAL 132 HG23 VAL 132 9.104 51.828 24.175 1115 H GLU 133 H GLU 133 7.586 50.126 19.811 1116 HA GLU 133 HA GLU 133 9.224 50.958 17.661 1117 HB2 GLU 133 HB2 GLU 133 7.430 48.508 17.917 1118 HB3 GLU 133 HB3 GLU 133 8.616 48.789 16.628 1119 HG2 GLU 133 HG2 GLU 133 10.404 48.984 18.410 1120 HG3 GLU 133 HG3 GLU 133 9.202 48.498 19.606 1121 H VAL 134 H VAL 134 8.878 51.570 15.638 1122 HA VAL 134 HA VAL 134 6.245 51.392 14.414 1123 HB VAL 134 HB VAL 134 6.492 53.656 15.511 1124 HG11 VAL 134 HG11 VAL 134 7.814 55.384 14.438 1125 HG12 VAL 134 HG12 VAL 134 8.877 54.060 14.947 1126 HG13 VAL 134 HG13 VAL 134 8.434 54.240 13.236 1127 HG21 VAL 134 HG21 VAL 134 6.030 53.829 12.517 1128 HG22 VAL 134 HG22 VAL 134 4.844 53.247 13.704 1129 HG23 VAL 134 HG23 VAL 134 5.431 54.915 13.777 1130 H GLU 135 H GLU 135 8.777 50.059 14.142 1131 HA GLU 135 HA GLU 135 9.540 50.639 11.363 1132 HB2 GLU 135 HB2 GLU 135 11.049 49.019 13.442 1133 HB3 GLU 135 HB3 GLU 135 11.610 49.370 11.801 1134 HG2 GLU 135 HG2 GLU 135 11.452 51.833 12.332 1135 HG3 GLU 135 HG3 GLU 135 11.130 51.406 14.019 1136 H ARG 136 H ARG 136 7.193 49.214 12.173 1137 HA ARG 136 HA ARG 136 5.870 47.365 11.709 1138 HB2 ARG 136 HB2 ARG 136 7.390 47.523 9.082 1139 HB3 ARG 136 HB3 ARG 136 5.787 46.832 9.327 1140 HG2 ARG 136 HG2 ARG 136 6.537 49.775 9.590 1141 HG3 ARG 136 HG3 ARG 136 5.653 49.017 8.266 1142 HD2 ARG 136 HD2 ARG 136 3.808 48.425 9.818 1143 HD3 ARG 136 HD3 ARG 136 4.690 49.193 11.153 1144 HE ARG 136 HE ARG 136 4.383 51.061 9.000 1145 HH11 ARG 136 HH11 ARG 136 2.405 49.599 11.513 1146 HH12 ARG 136 HH12 ARG 136 1.323 50.967 11.546 1147 HH21 ARG 136 HH21 ARG 136 2.958 52.733 9.121 1148 HH22 ARG 136 HH22 ARG 136 1.620 52.663 10.238 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -1.361 2.408 -18.428 2 H2 MET 1 H2 MET 1 -2.685 1.476 -18.617 3 H3 MET 1 H3 MET 1 -2.716 2.728 -17.556 4 HA MET 1 HA MET 1 -1.035 1.663 -16.198 5 HB2 MET 1 HB2 MET 1 -3.403 1.349 -15.635 6 HB3 MET 1 HB3 MET 1 -3.503 -0.046 -16.713 7 HG2 MET 1 HG2 MET 1 -3.306 -0.667 -14.330 8 HG3 MET 1 HG3 MET 1 -1.996 -1.323 -15.307 9 HE1 MET 1 HE1 MET 1 -0.227 -0.794 -11.874 10 HE2 MET 1 HE2 MET 1 -1.896 -1.332 -12.164 11 HE3 MET 1 HE3 MET 1 -0.575 -1.922 -13.200 12 H SER 2 H SER 2 0.299 -0.177 -15.769 13 HA SER 2 HA SER 2 0.556 -2.307 -17.759 14 HB2 SER 2 HB2 SER 2 1.920 -0.525 -18.778 15 HB3 SER 2 HB3 SER 2 2.836 -0.347 -17.269 16 HG SER 2 HG SER 2 4.039 -1.911 -17.892 17 H ARG 3 H ARG 3 1.795 -4.079 -16.992 18 HA ARG 3 HA ARG 3 1.556 -4.583 -14.169 19 HB2 ARG 3 HB2 ARG 3 3.160 -6.103 -16.279 20 HB3 ARG 3 HB3 ARG 3 2.734 -6.712 -14.683 21 HG2 ARG 3 HG2 ARG 3 0.757 -6.043 -16.908 22 HG3 ARG 3 HG3 ARG 3 1.307 -7.652 -16.434 23 HD2 ARG 3 HD2 ARG 3 0.335 -7.304 -14.163 24 HD3 ARG 3 HD3 ARG 3 -0.290 -5.728 -14.694 25 HE ARG 3 HE ARG 3 -1.203 -7.664 -16.546 26 HH11 ARG 3 HH11 ARG 3 -1.777 -6.948 -13.154 27 HH12 ARG 3 HH12 ARG 3 -3.377 -7.642 -13.209 28 HH21 ARG 3 HH21 ARG 3 -3.241 -8.498 -16.524 29 HH22 ARG 3 HH22 ARG 3 -4.173 -8.486 -15.047 30 H ASP 4 H ASP 4 4.179 -3.169 -15.918 31 HA ASP 4 HA ASP 4 6.059 -3.489 -13.640 32 HB2 ASP 4 HB2 ASP 4 7.779 -2.707 -15.138 33 HB3 ASP 4 HB3 ASP 4 6.910 -4.058 -15.844 34 H ALA 5 H ALA 5 3.579 -1.428 -14.009 35 HA ALA 5 HA ALA 5 4.775 1.140 -13.666 36 HB1 ALA 5 HB1 ALA 5 2.577 1.765 -12.723 37 HB2 ALA 5 HB2 ALA 5 2.419 0.835 -14.230 38 HB3 ALA 5 HB3 ALA 5 2.121 0.052 -12.660 39 HA PRO 6 HA PRO 6 6.486 0.292 -9.620 40 HB2 PRO 6 HB2 PRO 6 7.735 2.634 -9.072 41 HB3 PRO 6 HB3 PRO 6 8.228 1.614 -10.457 42 HG2 PRO 6 HG2 PRO 6 6.393 4.036 -10.493 43 HG3 PRO 6 HG3 PRO 6 7.797 3.697 -11.556 44 HD2 PRO 6 HD2 PRO 6 5.182 3.117 -12.234 45 HD3 PRO 6 HD3 PRO 6 6.583 2.156 -12.824 46 H ILE 7 H ILE 7 6.453 1.127 -7.339 47 HA ILE 7 HA ILE 7 3.881 2.209 -6.559 48 HB ILE 7 HB ILE 7 6.254 1.512 -4.775 49 HG12 ILE 7 HG12 ILE 7 4.385 -0.477 -4.364 50 HG13 ILE 7 HG13 ILE 7 4.197 -0.216 -6.097 51 HG21 ILE 7 HG21 ILE 7 4.545 1.413 -3.001 52 HG22 ILE 7 HG22 ILE 7 4.599 3.018 -3.719 53 HG23 ILE 7 HG23 ILE 7 3.289 1.901 -4.162 54 HD11 ILE 7 HD11 ILE 7 6.798 -0.862 -4.629 55 HD12 ILE 7 HD12 ILE 7 5.834 -1.990 -5.604 56 HD13 ILE 7 HD13 ILE 7 6.651 -0.627 -6.384 57 H LYS 8 H LYS 8 3.947 4.213 -7.551 58 HA LYS 8 HA LYS 8 6.093 6.054 -7.527 59 HB2 LYS 8 HB2 LYS 8 3.100 6.541 -7.881 60 HB3 LYS 8 HB3 LYS 8 4.354 7.723 -8.254 61 HG2 LYS 8 HG2 LYS 8 5.339 6.207 -9.930 62 HG3 LYS 8 HG3 LYS 8 4.081 5.005 -9.620 63 HD2 LYS 8 HD2 LYS 8 3.561 7.860 -10.584 64 HD3 LYS 8 HD3 LYS 8 3.662 6.442 -11.644 65 HE2 LYS 8 HE2 LYS 8 1.744 5.411 -10.413 66 HE3 LYS 8 HE3 LYS 8 1.606 6.873 -9.422 67 HZ1 LYS 8 HZ1 LYS 8 1.154 8.130 -11.457 68 HZ2 LYS 8 HZ2 LYS 8 1.280 6.783 -12.368 69 HZ3 LYS 8 HZ3 LYS 8 0.074 6.925 -11.285 70 H ALA 9 H ALA 9 3.466 5.833 -5.200 71 HA ALA 9 HA ALA 9 2.689 7.179 -3.563 72 HB1 ALA 9 HB1 ALA 9 4.565 6.263 -2.379 73 HB2 ALA 9 HB2 ALA 9 5.621 7.584 -2.959 74 HB3 ALA 9 HB3 ALA 9 4.230 7.953 -1.901 75 H ASP 10 H ASP 10 1.778 8.486 -5.111 76 HA ASP 10 HA ASP 10 2.891 10.775 -6.335 77 HB2 ASP 10 HB2 ASP 10 0.851 9.448 -6.981 78 HB3 ASP 10 HB3 ASP 10 0.005 10.190 -5.606 79 H LYS 11 H LYS 11 1.644 10.448 -3.117 80 HA LYS 11 HA LYS 11 0.836 13.162 -2.692 81 HB2 LYS 11 HB2 LYS 11 0.548 12.640 -0.372 82 HB3 LYS 11 HB3 LYS 11 -0.111 11.400 -1.408 83 HG2 LYS 11 HG2 LYS 11 2.435 10.386 -0.795 84 HG3 LYS 11 HG3 LYS 11 1.962 11.238 0.687 85 HD2 LYS 11 HD2 LYS 11 -0.239 9.987 0.634 86 HD3 LYS 11 HD3 LYS 11 0.369 9.086 -0.760 87 HE2 LYS 11 HE2 LYS 11 2.344 8.370 0.754 88 HE3 LYS 11 HE3 LYS 11 1.411 9.017 2.119 89 HZ1 LYS 11 HZ1 LYS 11 -0.382 7.457 1.510 90 HZ2 LYS 11 HZ2 LYS 11 0.496 6.870 0.274 91 HZ3 LYS 11 HZ3 LYS 11 1.000 6.646 1.798 92 H ASP 12 H ASP 12 1.670 14.739 -1.294 93 HA ASP 12 HA ASP 12 4.272 15.578 -2.192 94 HB2 ASP 12 HB2 ASP 12 2.407 16.816 -0.128 95 HB3 ASP 12 HB3 ASP 12 3.754 17.633 -0.920 96 H TYR 13 H TYR 13 5.463 17.001 -0.133 97 HA TYR 13 HA TYR 13 7.068 15.208 1.332 98 HB2 TYR 13 HB2 TYR 13 6.221 18.012 2.161 99 HB3 TYR 13 HB3 TYR 13 7.658 17.155 2.702 100 HD1 TYR 13 HD1 TYR 13 6.649 19.767 0.711 101 HD2 TYR 13 HD2 TYR 13 9.118 16.229 0.498 102 HE1 TYR 13 HE1 TYR 13 7.960 20.789 -1.144 103 HE2 TYR 13 HE2 TYR 13 10.429 17.260 -1.347 104 HH TYR 13 HH TYR 13 10.681 19.065 -2.700 105 H SER 14 H SER 14 3.771 16.181 2.097 106 HA SER 14 HA SER 14 3.739 15.439 4.835 107 HB2 SER 14 HB2 SER 14 1.319 15.124 4.544 108 HB3 SER 14 HB3 SER 14 1.881 16.657 3.881 109 HG SER 14 HG SER 14 0.409 15.587 2.563 110 H GLN 15 H GLN 15 4.426 13.420 2.196 111 HA GLN 15 HA GLN 15 3.240 10.945 2.886 112 HB2 GLN 15 HB2 GLN 15 5.037 9.943 1.598 113 HB3 GLN 15 HB3 GLN 15 4.457 11.397 0.797 114 HG2 GLN 15 HG2 GLN 15 6.470 12.614 1.908 115 HG3 GLN 15 HG3 GLN 15 7.062 11.006 2.344 116 HE21 GLN 15 HE21 GLN 15 6.954 12.032 -1.668 117 HE22 GLN 15 HE22 GLN 15 5.735 12.707 -0.581 118 H ILE 16 H ILE 16 5.948 12.644 4.362 119 HA ILE 16 HA ILE 16 7.003 10.610 6.052 120 HB ILE 16 HB ILE 16 6.591 13.592 6.602 121 HG12 ILE 16 HG12 ILE 16 9.162 12.378 5.606 122 HG13 ILE 16 HG13 ILE 16 7.882 12.912 4.500 123 HG21 ILE 16 HG21 ILE 16 8.220 11.416 7.981 124 HG22 ILE 16 HG22 ILE 16 8.644 13.133 8.152 125 HG23 ILE 16 HG23 ILE 16 7.074 12.538 8.722 126 HD11 ILE 16 HD11 ILE 16 9.222 14.740 6.501 127 HD12 ILE 16 HD12 ILE 16 9.465 14.700 4.739 128 HD13 ILE 16 HD13 ILE 16 7.888 15.155 5.391 129 H LEU 17 H LEU 17 4.377 12.924 6.477 130 HA LEU 17 HA LEU 17 3.703 12.191 9.184 131 HB2 LEU 17 HB2 LEU 17 1.972 13.559 7.138 132 HB3 LEU 17 HB3 LEU 17 1.987 13.796 8.901 133 HG LEU 17 HG LEU 17 4.041 14.788 6.878 134 HD11 LEU 17 HD11 LEU 17 1.950 15.955 6.718 135 HD12 LEU 17 HD12 LEU 17 1.883 16.208 8.477 136 HD13 LEU 17 HD13 LEU 17 3.155 16.975 7.512 137 HD21 LEU 17 HD21 LEU 17 5.309 14.515 8.817 138 HD22 LEU 17 HD22 LEU 17 4.850 16.214 8.828 139 HD23 LEU 17 HD23 LEU 17 3.996 15.082 9.894 140 H LYS 18 H LYS 18 2.774 11.084 5.977 141 HA LYS 18 HA LYS 18 0.490 9.501 6.754 142 HB2 LYS 18 HB2 LYS 18 2.159 9.312 4.268 143 HB3 LYS 18 HB3 LYS 18 0.595 8.545 4.531 144 HG2 LYS 18 HG2 LYS 18 1.085 11.531 4.570 145 HG3 LYS 18 HG3 LYS 18 0.484 10.662 3.171 146 HD2 LYS 18 HD2 LYS 18 -1.618 10.178 4.355 147 HD3 LYS 18 HD3 LYS 18 -0.961 10.866 5.860 148 HE2 LYS 18 HE2 LYS 18 -0.588 13.039 4.647 149 HE3 LYS 18 HE3 LYS 18 -1.427 12.373 3.244 150 HZ1 LYS 18 HZ1 LYS 18 -2.806 13.745 4.783 151 HZ2 LYS 18 HZ2 LYS 18 -3.434 12.250 4.520 152 HZ3 LYS 18 HZ3 LYS 18 -2.681 12.594 5.928 153 H GLU 19 H GLU 19 3.965 8.875 6.489 154 HA GLU 19 HA GLU 19 3.522 6.004 6.928 155 HB2 GLU 19 HB2 GLU 19 5.503 5.593 5.909 156 HB3 GLU 19 HB3 GLU 19 5.001 7.071 5.087 157 HG2 GLU 19 HG2 GLU 19 6.466 8.350 6.736 158 HG3 GLU 19 HG3 GLU 19 7.051 6.793 7.334 159 H GLU 20 H GLU 20 5.145 8.708 8.612 160 HA GLU 20 HA GLU 20 6.222 6.964 10.686 161 HB2 GLU 20 HB2 GLU 20 6.101 9.980 10.368 162 HB3 GLU 20 HB3 GLU 20 6.840 9.186 11.748 163 HG2 GLU 20 HG2 GLU 20 7.655 8.722 8.858 164 HG3 GLU 20 HG3 GLU 20 8.451 9.848 9.959 165 H PHE 21 H PHE 21 3.244 8.876 10.351 166 HA PHE 21 HA PHE 21 2.534 9.181 13.023 167 HB2 PHE 21 HB2 PHE 21 1.156 10.141 11.384 168 HB3 PHE 21 HB3 PHE 21 0.838 8.594 10.601 169 HD1 PHE 21 HD1 PHE 21 -1.418 8.007 10.804 170 HD2 PHE 21 HD2 PHE 21 0.571 9.804 14.180 171 HE1 PHE 21 HE1 PHE 21 -3.482 7.749 12.165 172 HE2 PHE 21 HE2 PHE 21 -1.487 9.535 15.539 173 HZ PHE 21 HZ PHE 21 -3.518 8.515 14.532 174 HA PRO 22 HA PRO 22 0.847 4.672 13.450 175 HB2 PRO 22 HB2 PRO 22 2.368 2.875 11.896 176 HB3 PRO 22 HB3 PRO 22 0.623 3.285 11.701 177 HG2 PRO 22 HG2 PRO 22 3.047 4.283 10.244 178 HG3 PRO 22 HG3 PRO 22 1.398 4.035 9.594 179 HD2 PRO 22 HD2 PRO 22 2.313 6.511 10.165 180 HD3 PRO 22 HD3 PRO 22 0.619 6.066 10.498 181 H LYS 23 H LYS 23 4.277 5.202 12.431 182 HA LYS 23 HA LYS 23 5.450 3.439 14.357 183 HB2 LYS 23 HB2 LYS 23 6.753 5.983 13.370 184 HB3 LYS 23 HB3 LYS 23 7.527 4.502 13.899 185 HG2 LYS 23 HG2 LYS 23 5.877 4.866 11.373 186 HG3 LYS 23 HG3 LYS 23 7.629 4.779 11.455 187 HD2 LYS 23 HD2 LYS 23 7.543 2.436 12.147 188 HD3 LYS 23 HD3 LYS 23 5.762 2.487 12.241 189 HE2 LYS 23 HE2 LYS 23 5.622 3.040 9.833 190 HE3 LYS 23 HE3 LYS 23 7.389 3.015 9.714 191 HZ1 LYS 23 HZ1 LYS 23 6.442 0.915 8.986 192 HZ2 LYS 23 HZ2 LYS 23 7.342 0.659 10.315 193 HZ3 LYS 23 HZ3 LYS 23 5.716 0.669 10.419 194 H ILE 24 H ILE 24 4.364 6.805 14.657 195 HA ILE 24 HA ILE 24 5.250 6.948 17.467 196 HB ILE 24 HB ILE 24 5.019 9.092 17.438 197 HG12 ILE 24 HG12 ILE 24 3.119 10.142 15.625 198 HG13 ILE 24 HG13 ILE 24 2.278 8.795 16.298 199 HG21 ILE 24 HG21 ILE 24 4.635 8.891 14.469 200 HG22 ILE 24 HG22 ILE 24 5.469 10.194 15.360 201 HG23 ILE 24 HG23 ILE 24 6.205 8.573 15.270 202 HD11 ILE 24 HD11 ILE 24 3.666 11.049 17.812 203 HD12 ILE 24 HD12 ILE 24 1.909 10.790 17.647 204 HD13 ILE 24 HD13 ILE 24 2.887 9.632 18.578 205 H ASP 25 H ASP 25 2.286 6.186 15.774 206 HA ASP 25 HA ASP 25 0.421 6.817 17.785 207 HB2 ASP 25 HB2 ASP 25 -0.003 6.330 15.430 208 HB3 ASP 25 HB3 ASP 25 0.452 4.645 15.664 209 H SER 26 H SER 26 2.370 3.908 17.352 210 HA SER 26 HA SER 26 1.501 2.307 19.545 211 HB2 SER 26 HB2 SER 26 3.045 1.601 17.729 212 HB3 SER 26 HB3 SER 26 4.284 2.692 18.379 213 HG SER 26 HG SER 26 4.523 0.505 19.069 214 H LEU 27 H LEU 27 3.559 5.247 19.519 215 HA LEU 27 HA LEU 27 4.346 4.914 22.305 216 HB2 LEU 27 HB2 LEU 27 6.056 5.813 20.974 217 HB3 LEU 27 HB3 LEU 27 4.971 6.871 20.091 218 HG LEU 27 HG LEU 27 4.594 8.241 22.115 219 HD11 LEU 27 HD11 LEU 27 6.180 7.957 24.022 220 HD12 LEU 27 HD12 LEU 27 5.214 6.508 23.846 221 HD13 LEU 27 HD13 LEU 27 6.888 6.528 23.249 222 HD21 LEU 27 HD21 LEU 27 6.836 9.309 22.019 223 HD22 LEU 27 HD22 LEU 27 7.504 7.862 21.244 224 HD23 LEU 27 HD23 LEU 27 6.279 8.839 20.408 225 H ALA 28 H ALA 28 2.329 7.189 20.399 226 HA ALA 28 HA ALA 28 1.343 8.703 22.521 227 HB1 ALA 28 HB1 ALA 28 1.072 9.232 20.075 228 HB2 ALA 28 HB2 ALA 28 -0.154 7.959 19.969 229 HB3 ALA 28 HB3 ALA 28 -0.441 9.399 20.974 230 H GLN 29 H GLN 29 0.246 5.514 21.544 231 HA GLN 29 HA GLN 29 -2.044 5.404 23.295 232 HB2 GLN 29 HB2 GLN 29 -0.368 3.288 21.918 233 HB3 GLN 29 HB3 GLN 29 -1.763 2.886 22.930 234 HG2 GLN 29 HG2 GLN 29 -3.279 4.139 21.516 235 HG3 GLN 29 HG3 GLN 29 -1.955 4.785 20.556 236 HE21 GLN 29 HE21 GLN 29 -2.560 2.143 18.268 237 HE22 GLN 29 HE22 GLN 29 -2.378 3.886 18.524 238 H ASN 30 H ASN 30 1.187 5.597 24.221 239 HA ASN 30 HA ASN 30 0.734 4.225 26.801 240 HB2 ASN 30 HB2 ASN 30 3.080 3.958 24.877 241 HB3 ASN 30 HB3 ASN 30 3.148 3.442 26.558 242 HD21 ASN 30 HD21 ASN 30 1.434 0.967 23.906 243 HD22 ASN 30 HD22 ASN 30 2.220 2.448 23.372 244 H ASP 31 H ASP 31 2.688 6.693 25.096 245 HA ASP 31 HA ASP 31 2.719 8.380 27.491 246 HB2 ASP 31 HB2 ASP 31 4.749 7.036 27.816 247 HB3 ASP 31 HB3 ASP 31 5.315 7.449 26.194 248 H CYS 32 H CYS 32 1.191 9.369 25.921 249 HA CYS 32 HA CYS 32 2.064 10.439 23.461 250 HB2 CYS 32 HB2 CYS 32 0.024 11.924 23.703 251 HB3 CYS 32 HB3 CYS 32 -0.299 10.195 23.896 252 HG CYS 32 HG CYS 32 -0.688 10.102 26.354 253 H ASN 33 H ASN 33 2.863 11.546 26.603 254 HA ASN 33 HA ASN 33 3.410 14.301 26.096 255 HB2 ASN 33 HB2 ASN 33 4.966 12.489 27.975 256 HB3 ASN 33 HB3 ASN 33 4.691 14.219 28.126 257 HD21 ASN 33 HD21 ASN 33 2.084 11.660 29.792 258 HD22 ASN 33 HD22 ASN 33 3.592 11.121 29.038 259 H SER 34 H SER 34 5.160 11.347 25.286 260 HA SER 34 HA SER 34 7.493 12.843 24.209 261 HB2 SER 34 HB2 SER 34 6.855 9.892 24.351 262 HB3 SER 34 HB3 SER 34 8.348 10.581 23.681 263 HG SER 34 HG SER 34 7.507 10.257 26.318 264 H ALA 35 H ALA 35 4.580 11.134 23.076 265 HA ALA 35 HA ALA 35 5.191 10.885 20.302 266 HB1 ALA 35 HB1 ALA 35 2.593 11.432 21.788 267 HB2 ALA 35 HB2 ALA 35 2.641 11.077 20.117 268 HB3 ALA 35 HB3 ALA 35 3.215 9.830 21.250 269 H LEU 36 H LEU 36 3.948 13.735 22.094 270 HA LEU 36 HA LEU 36 3.516 15.316 19.788 271 HB2 LEU 36 HB2 LEU 36 3.123 17.084 21.306 272 HB3 LEU 36 HB3 LEU 36 2.735 15.650 22.203 273 HG LEU 36 HG LEU 36 5.276 15.904 23.065 274 HD11 LEU 36 HD11 LEU 36 5.794 17.912 21.623 275 HD12 LEU 36 HD12 LEU 36 4.467 18.779 22.412 276 HD13 LEU 36 HD13 LEU 36 5.889 18.272 23.346 277 HD21 LEU 36 HD21 LEU 36 2.978 17.655 24.005 278 HD22 LEU 36 HD22 LEU 36 3.290 15.968 24.484 279 HD23 LEU 36 HD23 LEU 36 4.428 17.237 24.955 280 H ASP 37 H ASP 37 6.453 14.628 21.557 281 HA ASP 37 HA ASP 37 8.141 16.495 20.112 282 HB2 ASP 37 HB2 ASP 37 8.396 15.484 22.537 283 HB3 ASP 37 HB3 ASP 37 9.081 14.090 21.689 284 H GLN 38 H GLN 38 6.560 13.904 18.930 285 HA GLN 38 HA GLN 38 8.723 13.381 17.004 286 HB2 GLN 38 HB2 GLN 38 6.398 11.511 17.677 287 HB3 GLN 38 HB3 GLN 38 7.679 11.230 16.487 288 HG2 GLN 38 HG2 GLN 38 9.308 11.553 18.505 289 HG3 GLN 38 HG3 GLN 38 7.880 11.325 19.516 290 HE21 GLN 38 HE21 GLN 38 9.610 8.028 19.056 291 HE22 GLN 38 HE22 GLN 38 10.075 9.587 19.723 292 H LEU 39 H LEU 39 5.068 13.620 17.121 293 HA LEU 39 HA LEU 39 5.051 14.228 14.302 294 HB2 LEU 39 HB2 LEU 39 2.922 14.815 16.411 295 HB3 LEU 39 HB3 LEU 39 2.701 15.012 14.670 296 HG LEU 39 HG LEU 39 3.154 12.481 16.218 297 HD11 LEU 39 HD11 LEU 39 0.898 13.212 14.306 298 HD12 LEU 39 HD12 LEU 39 0.976 11.818 15.400 299 HD13 LEU 39 HD13 LEU 39 0.810 13.445 16.060 300 HD21 LEU 39 HD21 LEU 39 2.811 11.373 13.850 301 HD22 LEU 39 HD22 LEU 39 3.175 12.965 13.183 302 HD23 LEU 39 HD23 LEU 39 4.390 12.098 14.150 303 H LEU 40 H LEU 40 4.979 16.562 17.142 304 HA LEU 40 HA LEU 40 4.588 18.725 15.187 305 HB2 LEU 40 HB2 LEU 40 5.132 19.032 18.140 306 HB3 LEU 40 HB3 LEU 40 4.626 20.260 17.010 307 HG LEU 40 HG LEU 40 2.546 19.927 17.805 308 HD11 LEU 40 HD11 LEU 40 2.291 18.819 15.553 309 HD12 LEU 40 HD12 LEU 40 2.466 17.255 16.355 310 HD13 LEU 40 HD13 LEU 40 1.123 18.300 16.785 311 HD21 LEU 40 HD21 LEU 40 3.455 18.576 19.638 312 HD22 LEU 40 HD22 LEU 40 1.819 18.145 19.129 313 HD23 LEU 40 HD23 LEU 40 3.190 17.123 18.641 314 H VAL 41 H VAL 41 7.284 17.014 16.222 315 HA VAL 41 HA VAL 41 9.332 18.994 15.666 316 HB VAL 41 HB VAL 41 9.319 15.968 15.795 317 HG11 VAL 41 HG11 VAL 41 11.717 17.795 15.285 318 HG12 VAL 41 HG12 VAL 41 11.827 16.091 15.773 319 HG13 VAL 41 HG13 VAL 41 11.118 16.502 14.215 320 HG21 VAL 41 HG21 VAL 41 9.124 17.179 17.946 321 HG22 VAL 41 HG22 VAL 41 10.748 16.489 17.827 322 HG23 VAL 41 HG23 VAL 41 10.508 18.213 17.523 323 H LEU 42 H LEU 42 7.394 16.758 13.727 324 HA LEU 42 HA LEU 42 8.780 17.140 11.247 325 HB2 LEU 42 HB2 LEU 42 5.849 16.607 11.760 326 HB3 LEU 42 HB3 LEU 42 6.654 16.440 10.222 327 HG LEU 42 HG LEU 42 7.591 14.843 12.645 328 HD11 LEU 42 HD11 LEU 42 6.238 13.046 12.248 329 HD12 LEU 42 HD12 LEU 42 5.103 14.388 12.012 330 HD13 LEU 42 HD13 LEU 42 5.801 13.536 10.617 331 HD21 LEU 42 HD21 LEU 42 8.416 13.339 10.789 332 HD22 LEU 42 HD22 LEU 42 7.908 14.615 9.639 333 HD23 LEU 42 HD23 LEU 42 9.176 14.937 10.840 334 H GLU 43 H GLU 43 5.793 18.745 12.466 335 HA GLU 43 HA GLU 43 5.600 20.927 10.724 336 HB2 GLU 43 HB2 GLU 43 3.986 20.761 12.358 337 HB3 GLU 43 HB3 GLU 43 5.107 20.686 13.688 338 HG2 GLU 43 HG2 GLU 43 4.839 23.171 11.953 339 HG3 GLU 43 HG3 GLU 43 3.661 22.842 13.190 340 H LYS 44 H LYS 44 7.835 20.722 13.502 341 HA LYS 44 HA LYS 44 8.984 23.319 13.198 342 HB2 LYS 44 HB2 LYS 44 9.101 21.826 15.213 343 HB3 LYS 44 HB3 LYS 44 10.266 20.807 14.370 344 HG2 LYS 44 HG2 LYS 44 11.840 22.722 14.201 345 HG3 LYS 44 HG3 LYS 44 10.656 23.761 15.024 346 HD2 LYS 44 HD2 LYS 44 10.768 22.287 17.028 347 HD3 LYS 44 HD3 LYS 44 11.955 21.256 16.196 348 HE2 LYS 44 HE2 LYS 44 13.498 23.196 15.991 349 HE3 LYS 44 HE3 LYS 44 12.328 24.222 16.824 350 HZ1 LYS 44 HZ1 LYS 44 14.018 23.389 18.343 351 HZ2 LYS 44 HZ2 LYS 44 12.568 22.795 18.780 352 HZ3 LYS 44 HZ3 LYS 44 13.647 21.841 18.012 353 H LYS 45 H LYS 45 10.194 20.187 12.014 354 HA LYS 45 HA LYS 45 12.457 21.288 10.582 355 HB2 LYS 45 HB2 LYS 45 12.240 18.946 11.415 356 HB3 LYS 45 HB3 LYS 45 10.972 18.633 10.227 357 HG2 LYS 45 HG2 LYS 45 12.556 18.996 8.376 358 HG3 LYS 45 HG3 LYS 45 13.792 19.569 9.503 359 HD2 LYS 45 HD2 LYS 45 14.348 17.337 8.822 360 HD3 LYS 45 HD3 LYS 45 13.922 17.324 10.536 361 HE2 LYS 45 HE2 LYS 45 11.655 16.457 9.968 362 HE3 LYS 45 HE3 LYS 45 12.065 16.525 8.246 363 HZ1 LYS 45 HZ1 LYS 45 13.444 14.819 10.248 364 HZ2 LYS 45 HZ2 LYS 45 12.379 14.288 9.137 365 HZ3 LYS 45 HZ3 LYS 45 13.814 14.886 8.664 366 H THR 46 H THR 46 9.218 20.353 9.488 367 HA THR 46 HA THR 46 9.555 20.785 6.681 368 HB THR 46 HB THR 46 7.122 20.877 6.590 369 HG1 THR 46 HG1 THR 46 7.288 20.341 9.346 370 HG21 THR 46 HG21 THR 46 8.212 18.718 6.478 371 HG22 THR 46 HG22 THR 46 8.368 18.611 8.226 372 HG23 THR 46 HG23 THR 46 6.742 18.603 7.487 373 H ARG 47 H ARG 47 8.249 23.133 9.158 374 HA ARG 47 HA ARG 47 8.034 25.184 7.119 375 HB2 ARG 47 HB2 ARG 47 6.814 25.326 9.324 376 HB3 ARG 47 HB3 ARG 47 8.318 25.779 10.121 377 HG2 ARG 47 HG2 ARG 47 7.467 27.281 7.634 378 HG3 ARG 47 HG3 ARG 47 6.589 27.567 9.113 379 HD2 ARG 47 HD2 ARG 47 8.543 28.344 10.275 380 HD3 ARG 47 HD3 ARG 47 9.615 27.868 8.968 381 HE ARG 47 HE ARG 47 7.916 30.253 9.088 382 HH11 ARG 47 HH11 ARG 47 9.661 28.181 6.785 383 HH12 ARG 47 HH12 ARG 47 9.707 29.466 5.615 384 HH21 ARG 47 HH21 ARG 47 8.211 31.849 7.527 385 HH22 ARG 47 HH22 ARG 47 8.903 31.381 5.999 386 H GLN 48 H GLN 48 10.752 24.308 9.269 387 HA GLN 48 HA GLN 48 12.322 26.581 8.458 388 HB2 GLN 48 HB2 GLN 48 13.049 23.984 9.845 389 HB3 GLN 48 HB3 GLN 48 14.223 25.257 9.519 390 HG2 GLN 48 HG2 GLN 48 11.676 25.653 11.148 391 HG3 GLN 48 HG3 GLN 48 13.270 25.331 11.830 392 HE21 GLN 48 HE21 GLN 48 12.735 28.998 12.030 393 HE22 GLN 48 HE22 GLN 48 11.998 27.564 12.725 394 H ALA 49 H ALA 49 12.137 23.256 7.202 395 HA ALA 49 HA ALA 49 14.262 23.541 5.299 396 HB1 ALA 49 HB1 ALA 49 11.942 21.580 5.569 397 HB2 ALA 49 HB2 ALA 49 13.377 21.343 4.547 398 HB3 ALA 49 HB3 ALA 49 13.546 21.406 6.313 399 H SER 50 H SER 50 11.196 24.956 5.277 400 HA SER 50 HA SER 50 9.688 25.651 3.807 401 HB2 SER 50 HB2 SER 50 11.915 25.734 1.757 402 HB3 SER 50 HB3 SER 50 10.339 26.548 1.652 403 HG SER 50 HG SER 50 12.029 27.899 2.441 404 H ASP 51 H ASP 51 10.025 22.858 4.155 405 HA ASP 51 HA ASP 51 8.859 21.590 1.718 406 HB2 ASP 51 HB2 ASP 51 9.615 20.495 4.452 407 HB3 ASP 51 HB3 ASP 51 8.867 19.541 3.172 408 H LEU 52 H LEU 52 7.862 23.601 3.903 409 HA LEU 52 HA LEU 52 6.014 23.018 5.635 410 HB2 LEU 52 HB2 LEU 52 5.287 25.197 5.489 411 HB3 LEU 52 HB3 LEU 52 6.990 25.130 5.049 412 HG LEU 52 HG LEU 52 5.823 24.953 2.552 413 HD11 LEU 52 HD11 LEU 52 4.087 26.844 4.185 414 HD12 LEU 52 HD12 LEU 52 3.944 26.475 2.450 415 HD13 LEU 52 HD13 LEU 52 3.586 25.235 3.679 416 HD21 LEU 52 HD21 LEU 52 6.537 27.455 4.120 417 HD22 LEU 52 HD22 LEU 52 7.633 26.432 3.167 418 HD23 LEU 52 HD23 LEU 52 6.359 27.359 2.348 419 H ALA 53 H ALA 53 5.183 22.735 2.292 420 HA ALA 53 HA ALA 53 2.342 22.515 2.421 421 HB1 ALA 53 HB1 ALA 53 2.614 21.013 0.469 422 HB2 ALA 53 HB2 ALA 53 3.673 22.430 0.327 423 HB3 ALA 53 HB3 ALA 53 4.350 20.856 0.823 424 H SER 54 H SER 54 4.838 20.428 3.692 425 HA SER 54 HA SER 54 3.048 18.227 4.514 426 HB2 SER 54 HB2 SER 54 5.128 17.565 5.873 427 HB3 SER 54 HB3 SER 54 5.299 17.569 4.113 428 HG SER 54 HG SER 54 6.381 19.521 4.191 429 H SER 55 H SER 55 4.941 20.749 6.290 430 HA SER 55 HA SER 55 3.953 20.594 8.795 431 HB2 SER 55 HB2 SER 55 4.523 22.777 9.190 432 HB3 SER 55 HB3 SER 55 5.450 22.472 7.721 433 HG SER 55 HG SER 55 3.734 23.471 6.544 434 H LYS 56 H LYS 56 2.179 21.979 6.098 435 HA LYS 56 HA LYS 56 -0.051 23.061 7.467 436 HB2 LYS 56 HB2 LYS 56 0.644 23.374 5.049 437 HB3 LYS 56 HB3 LYS 56 -0.093 21.799 4.697 438 HG2 LYS 56 HG2 LYS 56 -2.299 22.664 5.421 439 HG3 LYS 56 HG3 LYS 56 -1.552 24.183 5.928 440 HD2 LYS 56 HD2 LYS 56 -2.657 24.522 3.820 441 HD3 LYS 56 HD3 LYS 56 -0.909 24.645 3.561 442 HE2 LYS 56 HE2 LYS 56 -0.888 22.304 2.693 443 HE3 LYS 56 HE3 LYS 56 -2.626 22.176 2.995 444 HZ1 LYS 56 HZ1 LYS 56 -2.976 23.948 1.370 445 HZ2 LYS 56 HZ2 LYS 56 -1.374 24.077 1.089 446 HZ3 LYS 56 HZ3 LYS 56 -2.167 22.718 0.681 447 H GLU 57 H GLU 57 0.499 19.672 6.630 448 HA GLU 57 HA GLU 57 -2.236 18.870 7.450 449 HB2 GLU 57 HB2 GLU 57 0.175 17.237 6.619 450 HB3 GLU 57 HB3 GLU 57 -1.431 16.597 6.985 451 HG2 GLU 57 HG2 GLU 57 -2.213 18.311 5.109 452 HG3 GLU 57 HG3 GLU 57 -0.513 18.272 4.629 453 H VAL 58 H VAL 58 1.023 19.017 8.799 454 HA VAL 58 HA VAL 58 0.464 17.516 11.225 455 HB VAL 58 HB VAL 58 2.349 19.867 11.189 456 HG11 VAL 58 HG11 VAL 58 2.483 17.136 12.550 457 HG12 VAL 58 HG12 VAL 58 3.588 18.493 12.802 458 HG13 VAL 58 HG13 VAL 58 1.902 18.620 13.315 459 HG21 VAL 58 HG21 VAL 58 2.950 18.585 9.169 460 HG22 VAL 58 HG22 VAL 58 4.188 18.477 10.424 461 HG23 VAL 58 HG23 VAL 58 3.067 17.124 10.182 462 H LEU 59 H LEU 59 0.342 20.977 10.384 463 HA LEU 59 HA LEU 59 -0.374 22.014 12.792 464 HB2 LEU 59 HB2 LEU 59 -0.659 22.862 9.966 465 HB3 LEU 59 HB3 LEU 59 -1.676 23.699 11.145 466 HG LEU 59 HG LEU 59 0.471 23.922 12.573 467 HD11 LEU 59 HD11 LEU 59 2.560 24.078 11.393 468 HD12 LEU 59 HD12 LEU 59 1.921 22.459 11.223 469 HD13 LEU 59 HD13 LEU 59 1.791 23.622 9.866 470 HD21 LEU 59 HD21 LEU 59 1.057 26.020 11.399 471 HD22 LEU 59 HD22 LEU 59 0.087 25.502 10.006 472 HD23 LEU 59 HD23 LEU 59 -0.674 25.808 11.593 473 H ALA 60 H ALA 60 -2.596 20.481 10.544 474 HA ALA 60 HA ALA 60 -4.928 21.196 12.031 475 HB1 ALA 60 HB1 ALA 60 -4.945 20.627 9.607 476 HB2 ALA 60 HB2 ALA 60 -4.449 18.963 9.997 477 HB3 ALA 60 HB3 ALA 60 -6.047 19.555 10.499 478 H LYS 61 H LYS 61 -2.566 19.211 13.067 479 HA LYS 61 HA LYS 61 -4.338 18.324 15.192 480 HB2 LYS 61 HB2 LYS 61 -4.243 16.222 14.924 481 HB3 LYS 61 HB3 LYS 61 -3.592 16.533 13.322 482 HG2 LYS 61 HG2 LYS 61 -1.910 15.903 15.792 483 HG3 LYS 61 HG3 LYS 61 -2.479 14.718 14.635 484 HD2 LYS 61 HD2 LYS 61 -0.604 17.001 13.987 485 HD3 LYS 61 HD3 LYS 61 -0.139 15.327 14.205 486 HE2 LYS 61 HE2 LYS 61 -1.950 16.444 12.020 487 HE3 LYS 61 HE3 LYS 61 -0.289 15.892 11.812 488 HZ1 LYS 61 HZ1 LYS 61 -1.887 14.224 11.074 489 HZ2 LYS 61 HZ2 LYS 61 -1.025 13.622 12.310 490 HZ3 LYS 61 HZ3 LYS 61 -2.564 14.116 12.543 491 H ILE 62 H ILE 62 -1.907 20.185 14.470 492 HA ILE 62 HA ILE 62 -0.130 20.048 16.652 493 HB ILE 62 HB ILE 62 -0.808 21.811 14.643 494 HG12 ILE 62 HG12 ILE 62 1.175 23.166 15.548 495 HG13 ILE 62 HG13 ILE 62 1.317 21.845 16.725 496 HG21 ILE 62 HG21 ILE 62 -1.064 24.020 15.437 497 HG22 ILE 62 HG22 ILE 62 -2.435 23.010 15.831 498 HG23 ILE 62 HG23 ILE 62 -1.244 23.431 17.107 499 HD11 ILE 62 HD11 ILE 62 1.635 21.904 13.719 500 HD12 ILE 62 HD12 ILE 62 2.662 21.124 14.926 501 HD13 ILE 62 HD13 ILE 62 1.085 20.393 14.470 502 H VAL 63 H VAL 63 -3.548 21.087 16.562 503 HA VAL 63 HA VAL 63 -3.468 21.921 19.367 504 HB VAL 63 HB VAL 63 -4.991 22.822 17.677 505 HG11 VAL 63 HG11 VAL 63 -6.739 20.404 18.166 506 HG12 VAL 63 HG12 VAL 63 -7.059 21.829 17.131 507 HG13 VAL 63 HG13 VAL 63 -5.793 20.676 16.680 508 HG21 VAL 63 HG21 VAL 63 -6.856 23.009 19.371 509 HG22 VAL 63 HG22 VAL 63 -5.932 21.877 20.364 510 HG23 VAL 63 HG23 VAL 63 -5.210 23.417 19.914 511 H ASP 64 H ASP 64 -3.623 18.870 17.889 512 HA ASP 64 HA ASP 64 -5.110 17.567 19.997 513 HB2 ASP 64 HB2 ASP 64 -5.490 17.195 17.503 514 HB3 ASP 64 HB3 ASP 64 -3.951 16.333 17.470 515 H LEU 65 H LEU 65 -1.802 18.049 19.226 516 HA LEU 65 HA LEU 65 -1.099 16.322 21.554 517 HB2 LEU 65 HB2 LEU 65 0.205 16.323 18.842 518 HB3 LEU 65 HB3 LEU 65 1.213 16.116 20.258 519 HG LEU 65 HG LEU 65 -1.038 14.240 19.456 520 HD11 LEU 65 HD11 LEU 65 1.943 13.755 19.549 521 HD12 LEU 65 HD12 LEU 65 0.671 12.712 18.890 522 HD13 LEU 65 HD13 LEU 65 1.065 14.243 18.093 523 HD21 LEU 65 HD21 LEU 65 -0.849 14.212 21.900 524 HD22 LEU 65 HD22 LEU 65 -0.104 12.762 21.233 525 HD23 LEU 65 HD23 LEU 65 0.919 14.101 21.796 526 H LEU 66 H LEU 66 -0.415 19.456 19.911 527 HA LEU 66 HA LEU 66 1.408 20.149 22.061 528 HB2 LEU 66 HB2 LEU 66 1.097 21.040 19.543 529 HB3 LEU 66 HB3 LEU 66 0.091 22.227 20.350 530 HG LEU 66 HG LEU 66 2.070 22.847 21.760 531 HD11 LEU 66 HD11 LEU 66 3.408 20.743 21.519 532 HD12 LEU 66 HD12 LEU 66 3.580 21.075 19.785 533 HD13 LEU 66 HD13 LEU 66 4.300 22.165 20.986 534 HD21 LEU 66 HD21 LEU 66 1.522 24.181 19.837 535 HD22 LEU 66 HD22 LEU 66 3.270 23.926 19.798 536 HD23 LEU 66 HD23 LEU 66 2.227 22.985 18.724 537 H ALA 67 H ALA 67 -1.743 21.835 21.320 538 HA ALA 67 HA ALA 67 -2.171 22.802 23.955 539 HB1 ALA 67 HB1 ALA 67 -3.994 22.079 21.622 540 HB2 ALA 67 HB2 ALA 67 -4.623 22.832 23.105 541 HB3 ALA 67 HB3 ALA 67 -3.420 23.676 22.119 542 H SER 68 H SER 68 -3.240 19.739 22.628 543 HA SER 68 HA SER 68 -4.808 18.966 24.888 544 HB2 SER 68 HB2 SER 68 -3.623 17.269 22.680 545 HB3 SER 68 HB3 SER 68 -4.859 16.729 23.832 546 HG SER 68 HG SER 68 -5.098 18.806 21.883 547 H ARG 69 H ARG 69 -1.429 19.048 24.677 548 HA ARG 69 HA ARG 69 -1.148 17.229 27.046 549 HB2 ARG 69 HB2 ARG 69 0.920 18.022 24.983 550 HB3 ARG 69 HB3 ARG 69 1.234 17.001 26.383 551 HG2 ARG 69 HG2 ARG 69 -0.402 16.260 23.949 552 HG3 ARG 69 HG3 ARG 69 1.059 15.503 24.557 553 HD2 ARG 69 HD2 ARG 69 -1.773 15.279 25.542 554 HD3 ARG 69 HD3 ARG 69 -0.687 14.016 25.020 555 HE ARG 69 HE ARG 69 0.622 14.407 27.152 556 HH11 ARG 69 HH11 ARG 69 -2.794 15.374 27.175 557 HH12 ARG 69 HH12 ARG 69 -2.917 14.982 28.869 558 HH21 ARG 69 HH21 ARG 69 0.362 14.132 29.277 559 HH22 ARG 69 HH22 ARG 69 -1.211 14.355 30.024 560 H ASN 70 H ASN 70 -2.014 19.981 27.035 561 HA ASN 70 HA ASN 70 -1.723 21.918 28.003 562 HB2 ASN 70 HB2 ASN 70 0.180 20.449 29.839 563 HB3 ASN 70 HB3 ASN 70 -0.307 22.111 30.090 564 HD21 ASN 70 HD21 ASN 70 -2.733 19.384 31.556 565 HD22 ASN 70 HD22 ASN 70 -1.038 19.111 31.181 566 H LYS 71 H LYS 71 0.502 20.996 25.829 567 HA LYS 71 HA LYS 71 2.147 23.371 26.129 568 HB2 LYS 71 HB2 LYS 71 2.787 21.006 25.133 569 HB3 LYS 71 HB3 LYS 71 2.073 21.638 23.671 570 HG2 LYS 71 HG2 LYS 71 4.484 21.905 23.653 571 HG3 LYS 71 HG3 LYS 71 3.698 23.479 23.612 572 HD2 LYS 71 HD2 LYS 71 5.692 23.453 25.048 573 HD3 LYS 71 HD3 LYS 71 4.242 23.881 25.955 574 HE2 LYS 71 HE2 LYS 71 4.105 21.585 26.880 575 HE3 LYS 71 HE3 LYS 71 5.484 21.090 25.891 576 HZ1 LYS 71 HZ1 LYS 71 6.860 22.670 27.132 577 HZ2 LYS 71 HZ2 LYS 71 5.590 23.129 28.047 578 HZ3 LYS 71 HZ3 LYS 71 6.167 21.613 28.152 579 H TRP 72 H TRP 72 -0.730 23.659 25.891 580 HA TRP 72 HA TRP 72 -1.608 24.984 23.574 581 HB2 TRP 72 HB2 TRP 72 -2.905 26.418 25.399 582 HB3 TRP 72 HB3 TRP 72 -3.293 24.732 25.072 583 HD1 TRP 72 HD1 TRP 72 -3.614 23.313 27.050 584 HE1 TRP 72 HE1 TRP 72 -2.991 23.347 29.522 585 HE3 TRP 72 HE3 TRP 72 -0.927 27.697 27.190 586 HZ2 TRP 72 HZ2 TRP 72 -1.381 24.941 31.311 587 HZ3 TRP 72 HZ3 TRP 72 0.195 28.399 29.279 588 HH2 TRP 72 HH2 TRP 72 0.001 27.026 31.340 589 H ASP 73 H ASP 73 0.707 26.215 25.903 590 HA ASP 73 HA ASP 73 0.597 28.972 25.321 591 HB2 ASP 73 HB2 ASP 73 1.875 27.723 27.123 592 HB3 ASP 73 HB3 ASP 73 3.044 27.243 25.896 593 H ASP 74 H ASP 74 1.921 26.311 23.423 594 HA ASP 74 HA ASP 74 3.295 28.101 21.569 595 HB2 ASP 74 HB2 ASP 74 3.224 25.096 21.828 596 HB3 ASP 74 HB3 ASP 74 4.095 25.963 20.556 597 H LEU 75 H LEU 75 0.092 26.724 21.662 598 HA LEU 75 HA LEU 75 -0.458 26.365 18.881 599 HB2 LEU 75 HB2 LEU 75 -1.967 26.762 21.343 600 HB3 LEU 75 HB3 LEU 75 -2.709 27.505 19.933 601 HG LEU 75 HG LEU 75 -3.380 25.150 20.534 602 HD11 LEU 75 HD11 LEU 75 -2.487 25.789 17.723 603 HD12 LEU 75 HD12 LEU 75 -3.463 24.366 18.141 604 HD13 LEU 75 HD13 LEU 75 -4.090 25.979 18.487 605 HD21 LEU 75 HD21 LEU 75 -1.088 24.292 20.985 606 HD22 LEU 75 HD22 LEU 75 -2.060 23.275 19.910 607 HD23 LEU 75 HD23 LEU 75 -0.792 24.286 19.233 608 H ASN 76 H ASN 76 -0.322 29.272 20.777 609 HA ASN 76 HA ASN 76 -0.889 31.317 18.980 610 HB2 ASN 76 HB2 ASN 76 -0.213 32.378 20.881 611 HB3 ASN 76 HB3 ASN 76 0.426 30.865 21.488 612 HD21 ASN 76 HD21 ASN 76 3.710 31.953 21.453 613 HD22 ASN 76 HD22 ASN 76 2.496 30.864 22.115 614 H GLU 77 H GLU 77 2.206 29.629 19.310 615 HA GLU 77 HA GLU 77 3.457 31.054 17.173 616 HB2 GLU 77 HB2 GLU 77 4.775 30.154 18.954 617 HB3 GLU 77 HB3 GLU 77 4.368 28.490 18.501 618 HG2 GLU 77 HG2 GLU 77 5.603 28.604 16.478 619 HG3 GLU 77 HG3 GLU 77 5.619 30.369 16.470 620 H GLN 78 H GLN 78 1.440 28.177 17.176 621 HA GLN 78 HA GLN 78 2.339 27.141 14.635 622 HB2 GLN 78 HB2 GLN 78 -0.369 26.631 15.876 623 HB3 GLN 78 HB3 GLN 78 0.551 25.614 14.758 624 HG2 GLN 78 HG2 GLN 78 1.139 26.236 17.651 625 HG3 GLN 78 HG3 GLN 78 0.763 24.681 17.026 626 HE21 GLN 78 HE21 GLN 78 4.582 25.632 17.440 627 HE22 GLN 78 HE22 GLN 78 3.227 26.372 18.309 628 H LEU 79 H LEU 79 -0.061 29.498 15.570 629 HA LEU 79 HA LEU 79 -1.035 30.077 12.881 630 HB2 LEU 79 HB2 LEU 79 -1.199 31.266 15.635 631 HB3 LEU 79 HB3 LEU 79 -1.806 32.182 14.272 632 HG LEU 79 HG LEU 79 -3.486 30.544 13.714 633 HD11 LEU 79 HD11 LEU 79 -3.958 28.482 15.010 634 HD12 LEU 79 HD12 LEU 79 -2.397 28.371 14.192 635 HD13 LEU 79 HD13 LEU 79 -2.455 28.720 15.928 636 HD21 LEU 79 HD21 LEU 79 -4.750 30.448 15.877 637 HD22 LEU 79 HD22 LEU 79 -3.283 30.954 16.706 638 HD23 LEU 79 HD23 LEU 79 -4.069 32.047 15.524 639 H THR 80 H THR 80 1.757 30.874 14.612 640 HA THR 80 HA THR 80 2.368 33.375 13.174 641 HB THR 80 HB THR 80 3.670 31.752 15.339 642 HG1 THR 80 HG1 THR 80 2.049 32.927 16.100 643 HG21 THR 80 HG21 THR 80 4.816 34.109 13.945 644 HG22 THR 80 HG22 THR 80 5.273 33.606 15.604 645 HG23 THR 80 HG23 THR 80 5.495 32.474 14.249 646 H LEU 81 H LEU 81 3.503 30.000 13.117 647 HA LEU 81 HA LEU 81 5.945 29.874 12.129 648 HB2 LEU 81 HB2 LEU 81 3.726 28.433 10.732 649 HB3 LEU 81 HB3 LEU 81 5.435 27.970 10.866 650 HG LEU 81 HG LEU 81 3.392 28.031 13.070 651 HD11 LEU 81 HD11 LEU 81 3.248 26.209 11.374 652 HD12 LEU 81 HD12 LEU 81 4.881 25.705 11.820 653 HD13 LEU 81 HD13 LEU 81 3.565 25.613 13.013 654 HD21 LEU 81 HD21 LEU 81 6.322 27.209 13.179 655 HD22 LEU 81 HD22 LEU 81 5.590 28.612 14.009 656 HD23 LEU 81 HD23 LEU 81 5.125 26.973 14.472 657 H LEU 82 H LEU 82 3.447 30.211 9.602 658 HA LEU 82 HA LEU 82 5.497 30.852 7.609 659 HB2 LEU 82 HB2 LEU 82 2.482 30.918 7.228 660 HB3 LEU 82 HB3 LEU 82 3.708 30.798 5.981 661 HG LEU 82 HG LEU 82 3.143 28.647 8.071 662 HD11 LEU 82 HD11 LEU 82 2.457 28.762 5.108 663 HD12 LEU 82 HD12 LEU 82 2.183 27.383 6.193 664 HD13 LEU 82 HD13 LEU 82 1.307 28.894 6.455 665 HD21 LEU 82 HD21 LEU 82 5.492 28.627 7.279 666 HD22 LEU 82 HD22 LEU 82 4.593 27.226 6.674 667 HD23 LEU 82 HD23 LEU 82 4.931 28.610 5.598 668 H SER 83 H SER 83 3.906 32.752 9.826 669 HA SER 83 HA SER 83 3.924 35.265 8.272 670 HB2 SER 83 HB2 SER 83 2.325 34.677 10.222 671 HB3 SER 83 HB3 SER 83 3.700 34.982 11.288 672 HG SER 83 HG SER 83 3.875 37.073 10.339 673 H LYS 84 H LYS 84 6.031 33.356 10.388 674 HA LYS 84 HA LYS 84 8.064 35.395 10.791 675 HB2 LYS 84 HB2 LYS 84 8.465 32.368 10.802 676 HB3 LYS 84 HB3 LYS 84 9.534 33.593 11.486 677 HG2 LYS 84 HG2 LYS 84 7.514 34.270 12.969 678 HG3 LYS 84 HG3 LYS 84 6.791 32.739 12.449 679 HD2 LYS 84 HD2 LYS 84 9.477 33.028 13.883 680 HD3 LYS 84 HD3 LYS 84 7.947 32.661 14.672 681 HE2 LYS 84 HE2 LYS 84 7.757 30.567 13.288 682 HE3 LYS 84 HE3 LYS 84 9.347 30.921 12.593 683 HZ1 LYS 84 HZ1 LYS 84 8.807 30.403 15.485 684 HZ2 LYS 84 HZ2 LYS 84 9.571 29.404 14.460 685 HZ3 LYS 84 HZ3 LYS 84 10.267 30.816 14.877 686 H LYS 85 H LYS 85 10.067 35.544 9.803 687 HA LYS 85 HA LYS 85 11.471 35.972 8.109 688 HB2 LYS 85 HB2 LYS 85 10.475 33.503 6.671 689 HB3 LYS 85 HB3 LYS 85 12.002 34.350 6.438 690 HG2 LYS 85 HG2 LYS 85 12.639 33.760 8.812 691 HG3 LYS 85 HG3 LYS 85 11.150 32.796 8.921 692 HD2 LYS 85 HD2 LYS 85 11.947 31.454 6.932 693 HD3 LYS 85 HD3 LYS 85 13.482 32.349 7.013 694 HE2 LYS 85 HE2 LYS 85 13.741 31.582 9.399 695 HE3 LYS 85 HE3 LYS 85 12.261 30.628 9.224 696 HZ1 LYS 85 HZ1 LYS 85 14.815 30.220 7.767 697 HZ2 LYS 85 HZ2 LYS 85 14.113 29.206 8.842 698 HZ3 LYS 85 HZ3 LYS 85 13.442 29.436 7.372 699 H HIS 86 H HIS 86 8.254 35.242 6.854 700 HA HIS 86 HA HIS 86 8.485 37.088 4.592 701 HB2 HIS 86 HB2 HIS 86 6.101 35.707 5.875 702 HB3 HIS 86 HB3 HIS 86 6.009 36.725 4.434 703 HD2 HIS 86 HD2 HIS 86 6.814 33.192 5.491 704 HE1 HIS 86 HE1 HIS 86 7.930 33.428 1.375 705 HE2 HIS 86 HE2 HIS 86 7.528 31.851 3.328 706 H GLY 87 H GLY 87 7.069 37.371 7.857 707 HA2 GLY 87 HA2 GLY 87 6.579 39.211 9.131 708 HA3 GLY 87 HA3 GLY 87 7.637 40.144 8.072 709 H GLN 88 H GLN 88 4.781 38.570 6.742 710 HA GLN 88 HA GLN 88 3.385 41.198 6.459 711 HB2 GLN 88 HB2 GLN 88 4.864 41.007 4.605 712 HB3 GLN 88 HB3 GLN 88 4.414 39.345 4.279 713 HG2 GLN 88 HG2 GLN 88 2.125 41.254 4.140 714 HG3 GLN 88 HG3 GLN 88 3.430 41.614 3.027 715 HE21 GLN 88 HE21 GLN 88 1.804 37.888 2.381 716 HE22 GLN 88 HE22 GLN 88 2.166 38.323 4.050 717 H LEU 89 H LEU 89 1.301 41.154 6.632 718 HA LEU 89 HA LEU 89 -0.764 40.529 7.141 719 HB2 LEU 89 HB2 LEU 89 -0.346 40.973 4.728 720 HB3 LEU 89 HB3 LEU 89 -0.352 39.252 4.410 721 HG LEU 89 HG LEU 89 -2.350 40.710 3.890 722 HD11 LEU 89 HD11 LEU 89 -2.976 38.173 5.434 723 HD12 LEU 89 HD12 LEU 89 -3.996 38.959 4.221 724 HD13 LEU 89 HD13 LEU 89 -2.442 38.254 3.748 725 HD21 LEU 89 HD21 LEU 89 -4.074 41.060 5.538 726 HD22 LEU 89 HD22 LEU 89 -3.075 40.350 6.814 727 HD23 LEU 89 HD23 LEU 89 -2.588 41.874 6.031 728 H LYS 90 H LYS 90 -0.839 39.228 8.951 729 HA LYS 90 HA LYS 90 -0.601 36.391 8.912 730 HB2 LYS 90 HB2 LYS 90 -0.785 36.568 11.118 731 HB3 LYS 90 HB3 LYS 90 -0.900 38.292 10.893 732 HG2 LYS 90 HG2 LYS 90 -2.773 38.096 12.127 733 HG3 LYS 90 HG3 LYS 90 -3.548 37.682 10.633 734 HD2 LYS 90 HD2 LYS 90 -4.261 35.960 12.050 735 HD3 LYS 90 HD3 LYS 90 -2.932 35.189 11.198 736 HE2 LYS 90 HE2 LYS 90 -2.892 34.685 13.623 737 HE3 LYS 90 HE3 LYS 90 -1.430 35.525 13.103 738 HZ1 LYS 90 HZ1 LYS 90 -2.192 37.531 14.080 739 HZ2 LYS 90 HZ2 LYS 90 -3.706 36.952 14.398 740 HZ3 LYS 90 HZ3 LYS 90 -2.391 36.421 15.232 741 H LEU 91 H LEU 91 -3.313 38.297 7.804 742 HA LEU 91 HA LEU 91 -5.357 36.444 8.171 743 HB2 LEU 91 HB2 LEU 91 -5.086 38.962 6.893 744 HB3 LEU 91 HB3 LEU 91 -5.787 37.899 5.696 745 HG LEU 91 HG LEU 91 -7.504 39.081 6.908 746 HD11 LEU 91 HD11 LEU 91 -8.928 37.244 7.661 747 HD12 LEU 91 HD12 LEU 91 -8.053 36.792 6.193 748 HD13 LEU 91 HD13 LEU 91 -7.535 36.155 7.759 749 HD21 LEU 91 HD21 LEU 91 -6.308 39.488 9.019 750 HD22 LEU 91 HD22 LEU 91 -7.927 38.828 9.282 751 HD23 LEU 91 HD23 LEU 91 -6.511 37.784 9.478 752 H SER 92 H SER 92 -2.746 35.792 6.415 753 HA SER 92 HA SER 92 -3.873 33.902 4.420 754 HB2 SER 92 HB2 SER 92 -1.836 35.197 3.884 755 HB3 SER 92 HB3 SER 92 -1.056 34.572 5.348 756 HG SER 92 HG SER 92 -1.781 33.182 2.977 757 H ILE 93 H ILE 93 -1.577 33.683 7.162 758 HA ILE 93 HA ILE 93 -1.976 30.866 7.664 759 HB ILE 93 HB ILE 93 0.137 32.015 8.023 760 HG12 ILE 93 HG12 ILE 93 -0.873 31.034 10.715 761 HG13 ILE 93 HG13 ILE 93 -0.638 29.944 9.355 762 HG21 ILE 93 HG21 ILE 93 0.467 33.496 10.012 763 HG22 ILE 93 HG22 ILE 93 -0.559 34.202 8.777 764 HG23 ILE 93 HG23 ILE 93 -1.276 33.520 10.265 765 HD11 ILE 93 HD11 ILE 93 1.625 31.707 10.381 766 HD12 ILE 93 HD12 ILE 93 1.312 30.034 10.915 767 HD13 ILE 93 HD13 ILE 93 1.663 30.354 9.219 768 H GLN 94 H GLN 94 -3.748 33.666 8.629 769 HA GLN 94 HA GLN 94 -5.004 32.891 10.994 770 HB2 GLN 94 HB2 GLN 94 -5.218 35.015 9.856 771 HB3 GLN 94 HB3 GLN 94 -6.098 34.269 8.514 772 HG2 GLN 94 HG2 GLN 94 -7.133 34.267 11.375 773 HG3 GLN 94 HG3 GLN 94 -7.320 35.651 10.302 774 HE21 GLN 94 HE21 GLN 94 -10.481 33.762 9.995 775 HE22 GLN 94 HE22 GLN 94 -9.654 34.635 11.276 776 H TYR 95 H TYR 95 -5.498 31.515 7.793 777 HA TYR 95 HA TYR 95 -7.803 29.942 8.134 778 HB2 TYR 95 HB2 TYR 95 -6.486 30.119 6.072 779 HB3 TYR 95 HB3 TYR 95 -5.131 29.297 6.820 780 HD1 TYR 95 HD1 TYR 95 -4.973 26.911 6.828 781 HD2 TYR 95 HD2 TYR 95 -8.662 28.828 5.681 782 HE1 TYR 95 HE1 TYR 95 -5.851 24.727 6.023 783 HE2 TYR 95 HE2 TYR 95 -9.546 26.637 4.882 784 HH TYR 95 HH TYR 95 -7.597 23.643 5.056 785 H MET 96 H MET 96 -4.605 29.379 9.589 786 HA MET 96 HA MET 96 -5.055 26.747 10.670 787 HB2 MET 96 HB2 MET 96 -3.231 29.053 11.431 788 HB3 MET 96 HB3 MET 96 -3.141 27.466 12.165 789 HG2 MET 96 HG2 MET 96 -1.425 27.696 10.484 790 HG3 MET 96 HG3 MET 96 -2.529 26.363 10.155 791 HE1 MET 96 HE1 MET 96 -0.252 27.512 8.203 792 HE2 MET 96 HE2 MET 96 -1.270 26.098 7.827 793 HE3 MET 96 HE3 MET 96 -1.097 27.414 6.645 794 H ILE 97 H ILE 97 -6.094 29.908 11.738 795 HA ILE 97 HA ILE 97 -6.186 29.505 14.518 796 HB ILE 97 HB ILE 97 -6.686 31.670 13.136 797 HG12 ILE 97 HG12 ILE 97 -8.402 31.315 15.619 798 HG13 ILE 97 HG13 ILE 97 -6.668 31.269 15.723 799 HG21 ILE 97 HG21 ILE 97 -9.049 32.259 12.925 800 HG22 ILE 97 HG22 ILE 97 -8.830 30.713 12.097 801 HG23 ILE 97 HG23 ILE 97 -9.548 30.747 13.720 802 HD11 ILE 97 HD11 ILE 97 -7.370 33.468 16.251 803 HD12 ILE 97 HD12 ILE 97 -6.500 33.523 14.699 804 HD13 ILE 97 HD13 ILE 97 -8.273 33.623 14.721 805 H GLN 98 H GLN 98 -8.218 28.081 12.128 806 HA GLN 98 HA GLN 98 -10.499 27.404 13.653 807 HB2 GLN 98 HB2 GLN 98 -9.100 25.868 11.431 808 HB3 GLN 98 HB3 GLN 98 -10.731 25.531 12.004 809 HG2 GLN 98 HG2 GLN 98 -9.835 28.153 10.714 810 HG3 GLN 98 HG3 GLN 98 -10.677 26.848 9.898 811 HE21 GLN 98 HE21 GLN 98 -13.235 29.393 10.821 812 HE22 GLN 98 HE22 GLN 98 -11.789 29.385 9.820 813 H LYS 99 H LYS 99 -7.238 26.053 13.883 814 HA LYS 99 HA LYS 99 -8.095 23.852 15.648 815 HB2 LYS 99 HB2 LYS 99 -5.347 24.811 14.688 816 HB3 LYS 99 HB3 LYS 99 -5.607 23.383 15.663 817 HG2 LYS 99 HG2 LYS 99 -6.773 23.828 12.865 818 HG3 LYS 99 HG3 LYS 99 -5.340 22.890 13.227 819 HD2 LYS 99 HD2 LYS 99 -6.567 21.169 14.318 820 HD3 LYS 99 HD3 LYS 99 -8.026 22.153 14.485 821 HE2 LYS 99 HE2 LYS 99 -8.519 22.097 12.149 822 HE3 LYS 99 HE3 LYS 99 -6.964 21.377 11.746 823 HZ1 LYS 99 HZ1 LYS 99 -9.082 20.031 13.350 824 HZ2 LYS 99 HZ2 LYS 99 -8.750 19.721 11.794 825 HZ3 LYS 99 HZ3 LYS 99 -7.640 19.365 12.941 826 H VAL 100 H VAL 100 -6.550 27.056 15.954 827 HA VAL 100 HA VAL 100 -6.306 26.880 18.796 828 HB VAL 100 HB VAL 100 -6.254 28.973 16.724 829 HG11 VAL 100 HG11 VAL 100 -8.089 30.066 17.856 830 HG12 VAL 100 HG12 VAL 100 -7.265 29.910 19.426 831 HG13 VAL 100 HG13 VAL 100 -6.596 30.947 18.138 832 HG21 VAL 100 HG21 VAL 100 -4.454 29.839 18.269 833 HG22 VAL 100 HG22 VAL 100 -4.879 28.561 19.398 834 HG23 VAL 100 HG23 VAL 100 -4.254 28.140 17.795 835 H MET 101 H MET 101 -8.965 28.107 16.815 836 HA MET 101 HA MET 101 -10.940 28.374 18.806 837 HB2 MET 101 HB2 MET 101 -10.981 28.014 15.817 838 HB3 MET 101 HB3 MET 101 -12.456 28.305 16.766 839 HG2 MET 101 HG2 MET 101 -11.406 30.402 17.641 840 HG3 MET 101 HG3 MET 101 -10.056 30.135 16.535 841 HE1 MET 101 HE1 MET 101 -11.970 33.194 14.966 842 HE2 MET 101 HE2 MET 101 -11.801 32.818 16.699 843 HE3 MET 101 HE3 MET 101 -10.419 32.604 15.602 844 H GLU 102 H GLU 102 -9.536 25.471 17.844 845 HA GLU 102 HA GLU 102 -11.969 23.889 18.250 846 HB2 GLU 102 HB2 GLU 102 -10.549 23.159 16.441 847 HB3 GLU 102 HB3 GLU 102 -9.195 22.941 17.539 848 HG2 GLU 102 HG2 GLU 102 -10.278 20.823 16.926 849 HG3 GLU 102 HG3 GLU 102 -10.275 21.101 18.655 850 H TYR 103 H TYR 103 -8.759 23.079 19.669 851 HA TYR 103 HA TYR 103 -10.346 22.416 22.085 852 HB2 TYR 103 HB2 TYR 103 -9.261 20.544 20.876 853 HB3 TYR 103 HB3 TYR 103 -7.701 21.238 21.284 854 HD1 TYR 103 HD1 TYR 103 -6.704 20.843 23.440 855 HD2 TYR 103 HD2 TYR 103 -10.857 19.891 22.752 856 HE1 TYR 103 HE1 TYR 103 -6.834 19.764 25.679 857 HE2 TYR 103 HE2 TYR 103 -10.972 18.791 24.985 858 HH TYR 103 HH TYR 103 -9.815 18.188 26.848 859 H LEU 104 H LEU 104 -7.453 24.130 21.066 860 HA LEU 104 HA LEU 104 -6.521 25.036 23.594 861 HB2 LEU 104 HB2 LEU 104 -5.306 25.149 21.544 862 HB3 LEU 104 HB3 LEU 104 -6.510 26.111 20.761 863 HG LEU 104 HG LEU 104 -4.422 27.280 21.198 864 HD11 LEU 104 HD11 LEU 104 -5.327 29.366 21.927 865 HD12 LEU 104 HD12 LEU 104 -6.687 28.502 21.161 866 HD13 LEU 104 HD13 LEU 104 -6.557 28.589 22.937 867 HD21 LEU 104 HD21 LEU 104 -3.809 28.003 23.469 868 HD22 LEU 104 HD22 LEU 104 -5.138 27.055 24.162 869 HD23 LEU 104 HD23 LEU 104 -3.814 26.237 23.290 870 H LYS 105 H LYS 105 -9.142 26.216 21.508 871 HA LYS 105 HA LYS 105 -10.220 28.241 23.205 872 HB2 LYS 105 HB2 LYS 105 -10.573 27.767 20.746 873 HB3 LYS 105 HB3 LYS 105 -11.578 26.413 21.162 874 HG2 LYS 105 HG2 LYS 105 -13.080 28.076 20.619 875 HG3 LYS 105 HG3 LYS 105 -13.072 28.171 22.394 876 HD2 LYS 105 HD2 LYS 105 -11.512 30.067 22.297 877 HD3 LYS 105 HD3 LYS 105 -11.310 29.854 20.542 878 HE2 LYS 105 HE2 LYS 105 -12.763 31.747 20.905 879 HE3 LYS 105 HE3 LYS 105 -13.679 30.437 20.164 880 HZ1 LYS 105 HZ1 LYS 105 -14.898 31.497 21.975 881 HZ2 LYS 105 HZ2 LYS 105 -14.624 29.945 22.352 882 HZ3 LYS 105 HZ3 LYS 105 -13.747 31.131 23.059 883 H SER 106 H SER 106 -11.422 24.980 22.603 884 HA SER 106 HA SER 106 -13.464 25.113 24.578 885 HB2 SER 106 HB2 SER 106 -12.462 22.634 23.146 886 HB3 SER 106 HB3 SER 106 -14.027 22.850 23.944 887 HG SER 106 HG SER 106 -13.036 23.940 21.554 888 H SER 107 H SER 107 -10.211 24.324 25.177 889 HA SER 107 HA SER 107 -10.275 22.155 26.930 890 HB2 SER 107 HB2 SER 107 -8.511 24.620 26.844 891 HB3 SER 107 HB3 SER 107 -8.250 23.309 28.013 892 HG SER 107 HG SER 107 -8.321 23.041 25.186 893 H LYS 108 H LYS 108 -11.647 21.878 28.605 894 HA LYS 108 HA LYS 108 -12.459 23.878 30.523 895 HB2 LYS 108 HB2 LYS 108 -12.261 20.841 30.757 896 HB3 LYS 108 HB3 LYS 108 -12.982 21.903 31.975 897 HG2 LYS 108 HG2 LYS 108 -14.635 22.719 30.310 898 HG3 LYS 108 HG3 LYS 108 -13.944 21.626 29.095 899 HD2 LYS 108 HD2 LYS 108 -14.531 19.665 30.515 900 HD3 LYS 108 HD3 LYS 108 -15.158 20.757 31.752 901 HE2 LYS 108 HE2 LYS 108 -17.041 19.910 30.555 902 HE3 LYS 108 HE3 LYS 108 -16.857 21.612 30.133 903 HZ1 LYS 108 HZ1 LYS 108 -17.293 20.234 28.190 904 HZ2 LYS 108 HZ2 LYS 108 -15.817 20.903 28.045 905 HZ3 LYS 108 HZ3 LYS 108 -15.970 19.327 28.455 906 H SER 109 H SER 109 -9.536 21.969 30.257 907 HA SER 109 HA SER 109 -8.519 22.865 32.819 908 HB2 SER 109 HB2 SER 109 -7.103 21.248 30.664 909 HB3 SER 109 HB3 SER 109 -6.572 21.457 32.346 910 HG SER 109 HG SER 109 -7.670 19.488 32.054 911 H LEU 110 H LEU 110 -9.002 24.734 30.530 912 HA LEU 110 HA LEU 110 -6.468 26.189 30.852 913 HB2 LEU 110 HB2 LEU 110 -7.050 25.526 28.396 914 HB3 LEU 110 HB3 LEU 110 -8.269 26.803 28.495 915 HG LEU 110 HG LEU 110 -6.430 28.446 29.058 916 HD11 LEU 110 HD11 LEU 110 -4.085 27.637 28.442 917 HD12 LEU 110 HD12 LEU 110 -4.707 27.043 29.985 918 HD13 LEU 110 HD13 LEU 110 -4.712 25.989 28.558 919 HD21 LEU 110 HD21 LEU 110 -5.959 26.834 26.515 920 HD22 LEU 110 HD22 LEU 110 -7.237 28.044 26.712 921 HD23 LEU 110 HD23 LEU 110 -5.530 28.537 26.788 922 H ASP 111 H ASP 111 -6.598 27.945 31.999 923 HA ASP 111 HA ASP 111 -9.215 29.006 32.829 924 HB2 ASP 111 HB2 ASP 111 -6.420 29.526 33.900 925 HB3 ASP 111 HB3 ASP 111 -7.895 30.263 34.515 926 H LEU 112 H LEU 112 -9.733 31.191 32.503 927 HA LEU 112 HA LEU 112 -8.894 32.558 30.196 928 HB2 LEU 112 HB2 LEU 112 -9.935 33.634 32.848 929 HB3 LEU 112 HB3 LEU 112 -9.696 34.658 31.449 930 HG LEU 112 HG LEU 112 -11.484 32.188 31.336 931 HD11 LEU 112 HD11 LEU 112 -13.385 33.709 31.684 932 HD12 LEU 112 HD12 LEU 112 -12.302 33.718 33.089 933 HD13 LEU 112 HD13 LEU 112 -12.263 35.072 31.933 934 HD21 LEU 112 HD21 LEU 112 -10.787 33.073 29.145 935 HD22 LEU 112 HD22 LEU 112 -12.500 33.396 29.420 936 HD23 LEU 112 HD23 LEU 112 -11.313 34.704 29.612 937 H ASN 113 H ASN 113 -7.694 32.985 33.508 938 HA ASN 113 HA ASN 113 -5.932 35.075 32.903 939 HB2 ASN 113 HB2 ASN 113 -5.580 32.924 35.050 940 HB3 ASN 113 HB3 ASN 113 -4.952 34.576 35.136 941 HD21 ASN 113 HD21 ASN 113 -8.134 35.950 36.099 942 HD22 ASN 113 HD22 ASN 113 -6.563 36.346 35.409 943 H THR 114 H THR 114 -5.479 31.627 32.393 944 HA THR 114 HA THR 114 -2.569 31.815 31.856 945 HB THR 114 HB THR 114 -4.671 29.629 31.798 946 HG1 THR 114 HG1 THR 114 -3.563 30.178 33.732 947 HG21 THR 114 HG21 THR 114 -1.846 29.451 30.722 948 HG22 THR 114 HG22 THR 114 -2.911 28.056 31.063 949 HG23 THR 114 HG23 THR 114 -3.364 29.235 29.820 950 H ARG 115 H ARG 115 -5.615 31.171 30.090 951 HA ARG 115 HA ARG 115 -4.605 31.166 27.474 952 HB2 ARG 115 HB2 ARG 115 -6.877 30.443 28.181 953 HB3 ARG 115 HB3 ARG 115 -7.347 32.132 28.444 954 HG2 ARG 115 HG2 ARG 115 -7.086 32.682 26.103 955 HG3 ARG 115 HG3 ARG 115 -6.170 31.184 25.804 956 HD2 ARG 115 HD2 ARG 115 -8.349 29.974 26.546 957 HD3 ARG 115 HD3 ARG 115 -9.101 31.556 26.302 958 HE ARG 115 HE ARG 115 -7.440 30.093 24.234 959 HH11 ARG 115 HH11 ARG 115 -10.196 32.178 24.870 960 HH12 ARG 115 HH12 ARG 115 -10.503 32.456 23.184 961 HH21 ARG 115 HH21 ARG 115 -7.965 30.452 22.068 962 HH22 ARG 115 HH22 ARG 115 -9.289 31.499 21.669 963 H ILE 116 H ILE 116 -5.717 33.969 29.295 964 HA ILE 116 HA ILE 116 -5.561 35.968 27.411 965 HB ILE 116 HB ILE 116 -5.023 35.752 30.329 966 HG12 ILE 116 HG12 ILE 116 -6.797 37.639 28.689 967 HG13 ILE 116 HG13 ILE 116 -7.280 36.005 29.113 968 HG21 ILE 116 HG21 ILE 116 -4.291 38.314 28.880 969 HG22 ILE 116 HG22 ILE 116 -4.515 38.149 30.633 970 HG23 ILE 116 HG23 ILE 116 -3.227 37.243 29.843 971 HD11 ILE 116 HD11 ILE 116 -8.302 37.551 30.662 972 HD12 ILE 116 HD12 ILE 116 -7.107 36.578 31.541 973 HD13 ILE 116 HD13 ILE 116 -6.738 38.261 31.087 974 H SER 117 H SER 117 -2.864 34.364 28.916 975 HA SER 117 HA SER 117 -0.757 36.089 27.912 976 HB2 SER 117 HB2 SER 117 -0.507 34.615 29.932 977 HB3 SER 117 HB3 SER 117 -0.523 33.208 28.856 978 HG SER 117 HG SER 117 1.273 34.213 27.745 979 H VAL 118 H VAL 118 -2.692 33.672 26.549 980 HA VAL 118 HA VAL 118 -0.973 33.139 24.200 981 HB VAL 118 HB VAL 118 -3.778 32.070 24.779 982 HG11 VAL 118 HG11 VAL 118 -1.752 30.890 22.924 983 HG12 VAL 118 HG12 VAL 118 -3.504 30.536 23.120 984 HG13 VAL 118 HG13 VAL 118 -2.978 32.080 22.422 985 HG21 VAL 118 HG21 VAL 118 -2.843 30.007 25.550 986 HG22 VAL 118 HG22 VAL 118 -1.197 30.695 25.473 987 HG23 VAL 118 HG23 VAL 118 -2.393 31.358 26.621 988 H ILE 119 H ILE 119 -4.418 33.934 24.695 989 HA ILE 119 HA ILE 119 -4.925 34.615 22.158 990 HB ILE 119 HB ILE 119 -6.333 34.121 24.315 991 HG12 ILE 119 HG12 ILE 119 -8.376 34.977 23.455 992 HG13 ILE 119 HG13 ILE 119 -7.547 36.160 22.428 993 HG21 ILE 119 HG21 ILE 119 -7.151 35.735 25.664 994 HG22 ILE 119 HG22 ILE 119 -5.479 36.268 25.404 995 HG23 ILE 119 HG23 ILE 119 -6.781 37.073 24.532 996 HD11 ILE 119 HD11 ILE 119 -8.429 34.036 21.281 997 HD12 ILE 119 HD12 ILE 119 -6.739 34.453 20.952 998 HD13 ILE 119 HD13 ILE 119 -7.116 33.170 22.126 999 H GLU 120 H GLU 120 -3.531 36.927 24.429 1000 HA GLU 120 HA GLU 120 -3.915 39.124 22.505 1001 HB2 GLU 120 HB2 GLU 120 -2.697 38.974 25.272 1002 HB3 GLU 120 HB3 GLU 120 -2.468 40.380 24.201 1003 HG2 GLU 120 HG2 GLU 120 -4.924 40.580 23.920 1004 HG3 GLU 120 HG3 GLU 120 -5.171 39.233 25.038 1005 H THR 121 H THR 121 -1.283 37.020 23.662 1006 HA THR 121 HA THR 121 0.767 38.239 22.106 1007 HB THR 121 HB THR 121 0.800 36.300 23.976 1008 HG1 THR 121 HG1 THR 121 2.684 36.534 21.907 1009 HG21 THR 121 HG21 THR 121 0.078 34.452 22.286 1010 HG22 THR 121 HG22 THR 121 1.581 34.819 21.444 1011 HG23 THR 121 HG23 THR 121 1.621 34.214 23.119 1012 H ILE 122 H ILE 122 -1.513 35.541 21.194 1013 HA ILE 122 HA ILE 122 -0.472 35.449 18.512 1014 HB ILE 122 HB ILE 122 -1.460 33.553 19.218 1015 HG12 ILE 122 HG12 ILE 122 -2.042 34.255 16.824 1016 HG13 ILE 122 HG13 ILE 122 -2.796 32.868 17.559 1017 HG21 ILE 122 HG21 ILE 122 -3.846 35.048 20.155 1018 HG22 ILE 122 HG22 ILE 122 -3.853 33.279 19.895 1019 HG23 ILE 122 HG23 ILE 122 -2.682 33.966 20.999 1020 HD11 ILE 122 HD11 ILE 122 -4.909 33.974 17.853 1021 HD12 ILE 122 HD12 ILE 122 -4.230 35.553 17.437 1022 HD13 ILE 122 HD13 ILE 122 -4.372 34.292 16.203 1023 H ARG 123 H ARG 123 -2.738 37.672 19.964 1024 HA ARG 123 HA ARG 123 -3.720 38.788 17.441 1025 HB2 ARG 123 HB2 ARG 123 -4.950 38.957 19.611 1026 HB3 ARG 123 HB3 ARG 123 -3.686 39.996 20.259 1027 HG2 ARG 123 HG2 ARG 123 -4.164 41.696 18.532 1028 HG3 ARG 123 HG3 ARG 123 -5.385 40.629 17.806 1029 HD2 ARG 123 HD2 ARG 123 -6.679 40.670 19.915 1030 HD3 ARG 123 HD3 ARG 123 -5.474 41.723 20.658 1031 HE ARG 123 HE ARG 123 -7.503 42.453 18.634 1032 HH11 ARG 123 HH11 ARG 123 -4.671 43.623 20.376 1033 HH12 ARG 123 HH12 ARG 123 -5.049 45.282 19.986 1034 HH21 ARG 123 HH21 ARG 123 -7.875 44.572 18.197 1035 HH22 ARG 123 HH22 ARG 123 -6.790 45.795 18.803 1036 H VAL 124 H VAL 124 -0.987 39.447 19.586 1037 HA VAL 124 HA VAL 124 -0.184 41.840 18.138 1038 HB VAL 124 HB VAL 124 0.956 40.375 20.536 1039 HG11 VAL 124 HG11 VAL 124 1.723 43.112 19.437 1040 HG12 VAL 124 HG12 VAL 124 2.226 42.455 21.012 1041 HG13 VAL 124 HG13 VAL 124 2.779 41.677 19.526 1042 HG21 VAL 124 HG21 VAL 124 -0.548 43.027 20.417 1043 HG22 VAL 124 HG22 VAL 124 -1.292 41.487 20.868 1044 HG23 VAL 124 HG23 VAL 124 -0.007 42.137 21.867 1045 H VAL 125 H VAL 125 1.147 38.546 18.487 1046 HA VAL 125 HA VAL 125 3.796 39.005 17.807 1047 HB VAL 125 HB VAL 125 2.925 36.955 18.831 1048 HG11 VAL 125 HG11 VAL 125 1.800 35.221 17.642 1049 HG12 VAL 125 HG12 VAL 125 0.905 36.693 17.224 1050 HG13 VAL 125 HG13 VAL 125 2.047 35.997 16.074 1051 HG21 VAL 125 HG21 VAL 125 4.423 36.317 16.263 1052 HG22 VAL 125 HG22 VAL 125 5.158 36.942 17.761 1053 HG23 VAL 125 HG23 VAL 125 4.366 35.352 17.744 1054 H THR 126 H THR 126 1.192 38.188 15.575 1055 HA THR 126 HA THR 126 3.043 37.974 13.321 1056 HB THR 126 HB THR 126 0.986 37.619 11.989 1057 HG1 THR 126 HG1 THR 126 -0.425 38.974 13.196 1058 HG21 THR 126 HG21 THR 126 0.526 35.889 14.421 1059 HG22 THR 126 HG22 THR 126 0.544 35.445 12.719 1060 HG23 THR 126 HG23 THR 126 2.065 35.759 13.543 1061 H GLU 127 H GLU 127 1.911 40.696 14.823 1062 HA GLU 127 HA GLU 127 2.004 42.321 12.324 1063 HB2 GLU 127 HB2 GLU 127 1.401 43.311 15.121 1064 HB3 GLU 127 HB3 GLU 127 1.043 44.072 13.575 1065 HG2 GLU 127 HG2 GLU 127 -0.369 41.784 14.957 1066 HG3 GLU 127 HG3 GLU 127 -1.044 43.297 14.372 1067 H ASN 128 H ASN 128 4.033 41.070 14.750 1068 HA ASN 128 HA ASN 128 6.192 42.821 13.998 1069 HB2 ASN 128 HB2 ASN 128 6.614 43.725 16.294 1070 HB3 ASN 128 HB3 ASN 128 5.076 44.221 15.622 1071 HD21 ASN 128 HD21 ASN 128 3.582 43.370 18.657 1072 HD22 ASN 128 HD22 ASN 128 3.905 44.621 17.465 1073 H LYS 129 H LYS 129 7.198 41.824 16.915 1074 HA LYS 129 HA LYS 129 8.155 39.160 16.181 1075 HB2 LYS 129 HB2 LYS 129 9.542 41.027 14.948 1076 HB3 LYS 129 HB3 LYS 129 10.230 41.353 16.525 1077 HG2 LYS 129 HG2 LYS 129 11.737 39.952 15.354 1078 HG3 LYS 129 HG3 LYS 129 11.009 38.919 16.581 1079 HD2 LYS 129 HD2 LYS 129 9.473 37.961 14.881 1080 HD3 LYS 129 HD3 LYS 129 10.160 39.014 13.645 1081 HE2 LYS 129 HE2 LYS 129 11.712 36.919 15.245 1082 HE3 LYS 129 HE3 LYS 129 11.032 36.647 13.638 1083 HZ1 LYS 129 HZ1 LYS 129 12.480 38.410 12.790 1084 HZ2 LYS 129 HZ2 LYS 129 13.123 38.655 14.271 1085 HZ3 LYS 129 HZ3 LYS 129 13.364 37.245 13.503 1086 H ILE 130 H ILE 130 6.641 40.256 18.494 1087 HA ILE 130 HA ILE 130 8.299 40.440 20.775 1088 HB ILE 130 HB ILE 130 6.270 39.755 22.087 1089 HG12 ILE 130 HG12 ILE 130 4.723 39.896 19.491 1090 HG13 ILE 130 HG13 ILE 130 5.281 38.354 20.150 1091 HG21 ILE 130 HG21 ILE 130 6.832 42.087 21.637 1092 HG22 ILE 130 HG22 ILE 130 5.894 42.052 20.134 1093 HG23 ILE 130 HG23 ILE 130 5.083 41.844 21.700 1094 HD11 ILE 130 HD11 ILE 130 3.382 40.293 21.520 1095 HD12 ILE 130 HD12 ILE 130 2.990 38.713 20.812 1096 HD13 ILE 130 HD13 ILE 130 4.028 38.813 22.248 1097 H PHE 131 H PHE 131 8.513 39.061 22.522 1098 HA PHE 131 HA PHE 131 8.717 36.164 22.017 1099 HB2 PHE 131 HB2 PHE 131 10.534 37.880 23.746 1100 HB3 PHE 131 HB3 PHE 131 10.573 36.124 23.674 1101 HD1 PHE 131 HD1 PHE 131 11.685 39.197 22.069 1102 HD2 PHE 131 HD2 PHE 131 11.155 34.952 21.511 1103 HE1 PHE 131 HE1 PHE 131 13.254 39.254 20.144 1104 HE2 PHE 131 HE2 PHE 131 12.727 35.010 19.586 1105 HZ PHE 131 HZ PHE 131 13.781 37.160 18.901 1106 H VAL 132 H VAL 132 6.403 37.021 22.576 1107 HA VAL 132 HA VAL 132 4.628 37.151 23.674 1108 HB VAL 132 HB VAL 132 3.942 35.560 24.832 1109 HG11 VAL 132 HG11 VAL 132 6.649 34.278 24.437 1110 HG12 VAL 132 HG12 VAL 132 5.089 33.467 24.647 1111 HG13 VAL 132 HG13 VAL 132 5.374 34.439 23.200 1112 HG21 VAL 132 HG21 VAL 132 4.697 36.205 27.048 1113 HG22 VAL 132 HG22 VAL 132 4.941 34.470 26.835 1114 HG23 VAL 132 HG23 VAL 132 6.331 35.574 26.707 1115 H GLU 133 H GLU 133 3.291 38.077 25.210 1116 HA GLU 133 HA GLU 133 4.544 40.498 26.149 1117 HB2 GLU 133 HB2 GLU 133 1.810 39.662 25.272 1118 HB3 GLU 133 HB3 GLU 133 1.855 40.944 26.474 1119 HG2 GLU 133 HG2 GLU 133 3.397 41.005 23.852 1120 HG3 GLU 133 HG3 GLU 133 1.824 41.760 24.120 1121 H VAL 134 H VAL 134 3.912 41.632 27.997 1122 HA VAL 134 HA VAL 134 3.050 40.061 30.313 1123 HB VAL 134 HB VAL 134 4.835 40.954 31.765 1124 HG11 VAL 134 HG11 VAL 134 5.181 38.773 30.687 1125 HG12 VAL 134 HG12 VAL 134 6.035 39.568 29.346 1126 HG13 VAL 134 HG13 VAL 134 6.697 39.636 30.988 1127 HG21 VAL 134 HG21 VAL 134 5.315 43.057 30.517 1128 HG22 VAL 134 HG22 VAL 134 6.776 42.116 30.839 1129 HG23 VAL 134 HG23 VAL 134 6.061 42.102 29.217 1130 H GLU 135 H GLU 135 1.991 42.230 28.665 1131 HA GLU 135 HA GLU 135 1.172 44.166 30.747 1132 HB2 GLU 135 HB2 GLU 135 0.828 44.306 27.738 1133 HB3 GLU 135 HB3 GLU 135 0.233 45.510 28.898 1134 HG2 GLU 135 HG2 GLU 135 2.582 45.804 29.738 1135 HG3 GLU 135 HG3 GLU 135 3.152 44.767 28.430 1136 H ARG 136 H ARG 136 0.320 41.499 30.836 1137 HA ARG 136 HA ARG 136 -2.233 40.895 29.739 1138 HB2 ARG 136 HB2 ARG 136 -0.850 39.768 32.213 1139 HB3 ARG 136 HB3 ARG 136 -2.175 38.997 31.337 1140 HG2 ARG 136 HG2 ARG 136 -0.758 38.703 29.347 1141 HG3 ARG 136 HG3 ARG 136 0.546 39.625 30.102 1142 HD2 ARG 136 HD2 ARG 136 0.451 37.860 32.003 1143 HD3 ARG 136 HD3 ARG 136 -0.444 36.868 30.835 1144 HE ARG 136 HE ARG 136 1.834 37.776 29.465 1145 HH11 ARG 136 HH11 ARG 136 1.411 35.813 32.355 1146 HH12 ARG 136 HH12 ARG 136 3.003 35.119 32.162 1147 HH21 ARG 136 HH21 ARG 136 3.769 36.932 29.362 1148 HH22 ARG 136 HH22 ARG 136 4.300 35.718 30.515 Start of MODEL 7 1 H1 MET 1 H1 MET 1 12.138 14.745 -7.264 2 H2 MET 1 H2 MET 1 13.047 15.742 -8.196 3 H3 MET 1 H3 MET 1 11.433 15.967 -8.115 4 HA MET 1 HA MET 1 12.791 13.644 -9.303 5 HB2 MET 1 HB2 MET 1 9.812 14.298 -9.157 6 HB3 MET 1 HB3 MET 1 10.515 13.028 -10.158 7 HG2 MET 1 HG2 MET 1 10.604 13.164 -7.124 8 HG3 MET 1 HG3 MET 1 9.605 12.094 -8.096 9 HE1 MET 1 HE1 MET 1 12.058 9.434 -9.466 10 HE2 MET 1 HE2 MET 1 10.368 9.909 -9.222 11 HE3 MET 1 HE3 MET 1 11.406 10.838 -10.330 12 H SER 2 H SER 2 12.827 13.593 -11.605 13 HA SER 2 HA SER 2 13.003 16.134 -12.961 14 HB2 SER 2 HB2 SER 2 14.343 14.159 -13.597 15 HB3 SER 2 HB3 SER 2 12.864 13.308 -14.091 16 HG SER 2 HG SER 2 13.041 14.263 -15.925 17 H ARG 3 H ARG 3 11.704 16.944 -14.676 18 HA ARG 3 HA ARG 3 8.864 16.902 -14.214 19 HB2 ARG 3 HB2 ARG 3 10.487 17.946 -16.581 20 HB3 ARG 3 HB3 ARG 3 8.763 18.244 -16.327 21 HG2 ARG 3 HG2 ARG 3 9.251 19.376 -14.179 22 HG3 ARG 3 HG3 ARG 3 10.988 19.122 -14.429 23 HD2 ARG 3 HD2 ARG 3 10.885 20.446 -16.520 24 HD3 ARG 3 HD3 ARG 3 9.149 20.701 -16.277 25 HE ARG 3 HE ARG 3 10.470 21.592 -13.929 26 HH11 ARG 3 HH11 ARG 3 10.268 22.617 -17.287 27 HH12 ARG 3 HH12 ARG 3 10.614 24.278 -16.872 28 HH21 ARG 3 HH21 ARG 3 10.898 23.717 -13.507 29 HH22 ARG 3 HH22 ARG 3 10.955 24.872 -14.812 30 H ASP 4 H ASP 4 10.793 14.840 -16.231 31 HA ASP 4 HA ASP 4 8.394 13.721 -17.591 32 HB2 ASP 4 HB2 ASP 4 9.949 12.627 -19.085 33 HB3 ASP 4 HB3 ASP 4 10.258 14.350 -19.033 34 H ALA 5 H ALA 5 9.658 13.173 -14.630 35 HA ALA 5 HA ALA 5 9.784 10.278 -14.628 36 HB1 ALA 5 HB1 ALA 5 10.761 11.632 -12.821 37 HB2 ALA 5 HB2 ALA 5 9.146 12.244 -12.385 38 HB3 ALA 5 HB3 ALA 5 9.528 10.524 -12.184 39 HA PRO 6 HA PRO 6 5.414 9.668 -15.182 40 HB2 PRO 6 HB2 PRO 6 5.098 7.036 -14.524 41 HB3 PRO 6 HB3 PRO 6 6.060 7.544 -15.947 42 HG2 PRO 6 HG2 PRO 6 7.063 6.818 -13.173 43 HG3 PRO 6 HG3 PRO 6 7.673 6.239 -14.759 44 HD2 PRO 6 HD2 PRO 6 8.793 8.341 -13.358 45 HD3 PRO 6 HD3 PRO 6 8.813 8.250 -15.153 46 H ILE 7 H ILE 7 3.388 9.296 -13.954 47 HA ILE 7 HA ILE 7 3.597 10.204 -11.235 48 HB ILE 7 HB ILE 7 1.215 9.285 -12.874 49 HG12 ILE 7 HG12 ILE 7 1.445 12.147 -12.008 50 HG13 ILE 7 HG13 ILE 7 2.689 11.641 -13.138 51 HG21 ILE 7 HG21 ILE 7 0.593 8.972 -10.524 52 HG22 ILE 7 HG22 ILE 7 1.214 10.579 -10.108 53 HG23 ILE 7 HG23 ILE 7 -0.213 10.404 -11.146 54 HD11 ILE 7 HD11 ILE 7 1.013 10.830 -14.733 55 HD12 ILE 7 HD12 ILE 7 -0.296 11.299 -13.618 56 HD13 ILE 7 HD13 ILE 7 0.755 12.543 -14.331 57 H LYS 8 H LYS 8 3.705 9.087 -9.448 58 HA LYS 8 HA LYS 8 2.517 6.373 -9.201 59 HB2 LYS 8 HB2 LYS 8 5.296 7.118 -8.181 60 HB3 LYS 8 HB3 LYS 8 4.430 5.615 -7.838 61 HG2 LYS 8 HG2 LYS 8 4.440 5.112 -10.313 62 HG3 LYS 8 HG3 LYS 8 5.473 6.527 -10.560 63 HD2 LYS 8 HD2 LYS 8 6.134 4.101 -8.834 64 HD3 LYS 8 HD3 LYS 8 6.781 4.436 -10.446 65 HE2 LYS 8 HE2 LYS 8 7.813 6.549 -9.564 66 HE3 LYS 8 HE3 LYS 8 7.219 6.140 -7.945 67 HZ1 LYS 8 HZ1 LYS 8 8.587 4.124 -8.034 68 HZ2 LYS 8 HZ2 LYS 8 9.137 4.510 -9.523 69 HZ3 LYS 8 HZ3 LYS 8 9.514 5.443 -8.249 70 H ALA 9 H ALA 9 1.047 6.535 -7.600 71 HA ALA 9 HA ALA 9 1.189 8.744 -5.674 72 HB1 ALA 9 HB1 ALA 9 -0.877 6.573 -5.970 73 HB2 ALA 9 HB2 ALA 9 -0.949 8.047 -4.958 74 HB3 ALA 9 HB3 ALA 9 -0.905 8.193 -6.744 75 H ASP 10 H ASP 10 3.284 7.649 -5.185 76 HA ASP 10 HA ASP 10 3.578 5.566 -3.244 77 HB2 ASP 10 HB2 ASP 10 5.268 6.632 -4.862 78 HB3 ASP 10 HB3 ASP 10 5.245 8.035 -3.777 79 H LYS 11 H LYS 11 2.343 8.640 -2.998 80 HA LYS 11 HA LYS 11 1.769 10.196 -1.452 81 HB2 LYS 11 HB2 LYS 11 2.077 7.866 0.429 82 HB3 LYS 11 HB3 LYS 11 1.877 9.469 1.086 83 HG2 LYS 11 HG2 LYS 11 -0.333 9.719 0.276 84 HG3 LYS 11 HG3 LYS 11 -0.086 8.501 -1.003 85 HD2 LYS 11 HD2 LYS 11 -0.041 6.736 0.757 86 HD3 LYS 11 HD3 LYS 11 -0.211 7.993 1.995 87 HE2 LYS 11 HE2 LYS 11 -2.405 7.094 1.674 88 HE3 LYS 11 HE3 LYS 11 -2.387 8.690 0.907 89 HZ1 LYS 11 HZ1 LYS 11 -2.100 6.091 -0.526 90 HZ2 LYS 11 HZ2 LYS 11 -3.452 6.987 -0.487 91 HZ3 LYS 11 HZ3 LYS 11 -2.133 7.552 -1.251 92 H ASP 12 H ASP 12 3.076 11.793 -1.700 93 HA ASP 12 HA ASP 12 5.804 12.007 -0.718 94 HB2 ASP 12 HB2 ASP 12 3.806 14.158 -1.544 95 HB3 ASP 12 HB3 ASP 12 5.526 14.414 -1.266 96 H TYR 13 H TYR 13 6.220 14.112 0.778 97 HA TYR 13 HA TYR 13 5.762 13.165 3.303 98 HB2 TYR 13 HB2 TYR 13 6.451 15.610 4.006 99 HB3 TYR 13 HB3 TYR 13 7.540 14.421 3.342 100 HD1 TYR 13 HD1 TYR 13 5.954 17.684 2.734 101 HD2 TYR 13 HD2 TYR 13 8.414 14.553 1.055 102 HE1 TYR 13 HE1 TYR 13 6.735 19.233 0.944 103 HE2 TYR 13 HE2 TYR 13 9.149 16.095 -0.746 104 HH TYR 13 HH TYR 13 9.002 18.189 -1.608 105 H SER 14 H SER 14 3.662 15.726 1.908 106 HA SER 14 HA SER 14 2.075 15.865 4.348 107 HB2 SER 14 HB2 SER 14 0.645 17.396 2.994 108 HB3 SER 14 HB3 SER 14 2.359 17.850 2.900 109 HG SER 14 HG SER 14 1.316 17.822 0.845 110 H GLN 15 H GLN 15 2.201 13.738 1.790 111 HA GLN 15 HA GLN 15 -0.590 12.888 1.942 112 HB2 GLN 15 HB2 GLN 15 1.466 11.726 0.151 113 HB3 GLN 15 HB3 GLN 15 -0.287 11.767 -0.042 114 HG2 GLN 15 HG2 GLN 15 1.585 14.135 -0.405 115 HG3 GLN 15 HG3 GLN 15 0.839 13.183 -1.671 116 HE21 GLN 15 HE21 GLN 15 -1.287 16.157 -1.457 117 HE22 GLN 15 HE22 GLN 15 0.339 15.761 -1.996 118 H ILE 16 H ILE 16 2.587 12.075 3.183 119 HA ILE 16 HA ILE 16 2.187 9.451 4.164 120 HB ILE 16 HB ILE 16 3.448 11.852 5.565 121 HG12 ILE 16 HG12 ILE 16 4.514 11.520 3.485 122 HG13 ILE 16 HG13 ILE 16 5.600 11.029 4.770 123 HG21 ILE 16 HG21 ILE 16 3.066 10.243 7.256 124 HG22 ILE 16 HG22 ILE 16 3.697 8.923 6.233 125 HG23 ILE 16 HG23 ILE 16 4.782 10.189 6.846 126 HD11 ILE 16 HD11 ILE 16 4.039 9.234 2.863 127 HD12 ILE 16 HD12 ILE 16 5.784 9.538 2.872 128 HD13 ILE 16 HD13 ILE 16 5.042 8.629 4.213 129 H LEU 17 H LEU 17 1.114 12.572 5.530 130 HA LEU 17 HA LEU 17 -0.112 11.601 7.893 131 HB2 LEU 17 HB2 LEU 17 -0.722 13.851 5.997 132 HB3 LEU 17 HB3 LEU 17 -1.396 13.753 7.635 133 HG LEU 17 HG LEU 17 1.607 13.837 7.236 134 HD11 LEU 17 HD11 LEU 17 1.552 16.253 7.332 135 HD12 LEU 17 HD12 LEU 17 0.680 15.672 5.917 136 HD13 LEU 17 HD13 LEU 17 -0.218 16.260 7.344 137 HD21 LEU 17 HD21 LEU 17 0.393 13.395 9.499 138 HD22 LEU 17 HD22 LEU 17 1.599 14.699 9.480 139 HD23 LEU 17 HD23 LEU 17 -0.140 15.077 9.412 140 H LYS 18 H LYS 18 -1.130 11.025 4.621 141 HA LYS 18 HA LYS 18 -3.984 10.775 5.085 142 HB2 LYS 18 HB2 LYS 18 -2.363 9.612 2.823 143 HB3 LYS 18 HB3 LYS 18 -4.093 9.873 2.838 144 HG2 LYS 18 HG2 LYS 18 -2.169 12.181 3.119 145 HG3 LYS 18 HG3 LYS 18 -2.542 11.503 1.527 146 HD2 LYS 18 HD2 LYS 18 -4.908 12.086 1.845 147 HD3 LYS 18 HD3 LYS 18 -4.647 12.523 3.535 148 HE2 LYS 18 HE2 LYS 18 -3.446 14.003 1.143 149 HE3 LYS 18 HE3 LYS 18 -4.925 14.461 1.979 150 HZ1 LYS 18 HZ1 LYS 18 -2.171 14.561 3.105 151 HZ2 LYS 18 HZ2 LYS 18 -3.233 15.779 2.932 152 HZ3 LYS 18 HZ3 LYS 18 -3.532 14.655 4.045 153 H GLU 19 H GLU 19 -1.128 8.736 5.188 154 HA GLU 19 HA GLU 19 -2.782 6.286 5.397 155 HB2 GLU 19 HB2 GLU 19 -1.045 5.032 4.488 156 HB3 GLU 19 HB3 GLU 19 -1.184 6.478 3.489 157 HG2 GLU 19 HG2 GLU 19 0.795 7.448 4.628 158 HG3 GLU 19 HG3 GLU 19 0.898 6.032 5.682 159 H GLU 20 H GLU 20 -0.118 8.016 7.023 160 HA GLU 20 HA GLU 20 0.191 5.949 9.039 161 HB2 GLU 20 HB2 GLU 20 1.162 8.827 8.878 162 HB3 GLU 20 HB3 GLU 20 1.465 7.745 10.252 163 HG2 GLU 20 HG2 GLU 20 2.370 6.050 8.534 164 HG3 GLU 20 HG3 GLU 20 2.361 7.365 7.367 165 H PHE 21 H PHE 21 -1.919 8.796 8.809 166 HA PHE 21 HA PHE 21 -2.710 8.905 11.547 167 HB2 PHE 21 HB2 PHE 21 -3.360 10.707 10.236 168 HB3 PHE 21 HB3 PHE 21 -4.034 9.705 8.980 169 HD1 PHE 21 HD1 PHE 21 -6.257 10.377 8.737 170 HD2 PHE 21 HD2 PHE 21 -4.739 9.647 12.712 171 HE1 PHE 21 HE1 PHE 21 -8.534 10.676 9.676 172 HE2 PHE 21 HE2 PHE 21 -7.005 9.962 13.639 173 HZ PHE 21 HZ PHE 21 -8.911 10.481 12.124 174 HA PRO 22 HA PRO 22 -6.023 5.438 10.697 175 HB2 PRO 22 HB2 PRO 22 -4.473 4.107 8.480 176 HB3 PRO 22 HB3 PRO 22 -6.228 4.038 8.835 177 HG2 PRO 22 HG2 PRO 22 -5.253 5.695 6.887 178 HG3 PRO 22 HG3 PRO 22 -6.562 6.245 7.983 179 HD2 PRO 22 HD2 PRO 22 -3.652 6.937 8.031 180 HD3 PRO 22 HD3 PRO 22 -5.083 7.912 8.450 181 H LYS 23 H LYS 23 -2.452 4.908 10.341 182 HA LYS 23 HA LYS 23 -2.453 2.421 11.812 183 HB2 LYS 23 HB2 LYS 23 -0.184 4.435 11.615 184 HB3 LYS 23 HB3 LYS 23 -0.058 2.748 12.071 185 HG2 LYS 23 HG2 LYS 23 -0.874 3.782 9.331 186 HG3 LYS 23 HG3 LYS 23 0.709 3.159 9.774 187 HD2 LYS 23 HD2 LYS 23 -0.307 0.929 10.239 188 HD3 LYS 23 HD3 LYS 23 -1.893 1.558 9.745 189 HE2 LYS 23 HE2 LYS 23 -0.971 2.115 7.501 190 HE3 LYS 23 HE3 LYS 23 0.604 1.471 7.985 191 HZ1 LYS 23 HZ1 LYS 23 -1.906 -0.111 7.811 192 HZ2 LYS 23 HZ2 LYS 23 -0.673 -0.167 6.754 193 HZ3 LYS 23 HZ3 LYS 23 -0.459 -0.704 8.275 194 H ILE 24 H ILE 24 -2.383 5.803 12.789 195 HA ILE 24 HA ILE 24 -2.019 5.110 15.623 196 HB ILE 24 HB ILE 24 -1.519 7.178 16.094 197 HG12 ILE 24 HG12 ILE 24 -2.877 8.809 13.973 198 HG13 ILE 24 HG13 ILE 24 -3.947 8.166 15.184 199 HG21 ILE 24 HG21 ILE 24 -0.305 8.338 14.315 200 HG22 ILE 24 HG22 ILE 24 -0.132 6.580 14.081 201 HG23 ILE 24 HG23 ILE 24 -1.304 7.508 13.117 202 HD11 ILE 24 HD11 ILE 24 -3.009 10.412 15.710 203 HD12 ILE 24 HD12 ILE 24 -2.865 9.192 16.968 204 HD13 ILE 24 HD13 ILE 24 -1.424 9.613 15.987 205 H ASP 25 H ASP 25 -4.639 5.646 13.463 206 HA ASP 25 HA ASP 25 -6.486 6.846 15.211 207 HB2 ASP 25 HB2 ASP 25 -6.540 6.748 12.749 208 HB3 ASP 25 HB3 ASP 25 -6.966 5.035 12.822 209 H SER 26 H SER 26 -5.707 3.458 14.777 210 HA SER 26 HA SER 26 -7.644 2.351 16.660 211 HB2 SER 26 HB2 SER 26 -4.969 1.389 15.581 212 HB3 SER 26 HB3 SER 26 -6.093 0.371 16.520 213 HG SER 26 HG SER 26 -7.596 0.573 14.865 214 H LEU 27 H LEU 27 -4.483 3.865 16.980 215 HA LEU 27 HA LEU 27 -3.880 2.753 19.598 216 HB2 LEU 27 HB2 LEU 27 -2.041 2.928 18.116 217 HB3 LEU 27 HB3 LEU 27 -2.483 4.560 17.639 218 HG LEU 27 HG LEU 27 -1.932 5.412 19.885 219 HD11 LEU 27 HD11 LEU 27 -0.527 4.004 21.364 220 HD12 LEU 27 HD12 LEU 27 -2.119 3.275 21.165 221 HD13 LEU 27 HD13 LEU 27 -0.731 2.617 20.270 222 HD21 LEU 27 HD21 LEU 27 0.517 5.317 19.521 223 HD22 LEU 27 HD22 LEU 27 0.315 3.932 18.432 224 HD23 LEU 27 HD23 LEU 27 -0.329 5.522 17.984 225 H ALA 28 H ALA 28 -4.432 6.088 18.356 226 HA ALA 28 HA ALA 28 -4.226 7.437 20.777 227 HB1 ALA 28 HB1 ALA 28 -4.357 8.458 18.454 228 HB2 ALA 28 HB2 ALA 28 -6.106 8.186 18.493 229 HB3 ALA 28 HB3 ALA 28 -5.344 9.299 19.651 230 H GLN 29 H GLN 29 -6.936 5.622 19.669 231 HA GLN 29 HA GLN 29 -8.857 6.436 21.657 232 HB2 GLN 29 HB2 GLN 29 -8.607 3.873 20.035 233 HB3 GLN 29 HB3 GLN 29 -9.988 4.271 21.063 234 HG2 GLN 29 HG2 GLN 29 -10.397 6.332 19.729 235 HG3 GLN 29 HG3 GLN 29 -9.066 5.897 18.652 236 HE21 GLN 29 HE21 GLN 29 -11.126 3.732 16.738 237 HE22 GLN 29 HE22 GLN 29 -9.591 4.604 16.882 238 H ASN 30 H ASN 30 -5.965 4.742 22.155 239 HA ASN 30 HA ASN 30 -6.874 3.471 24.661 240 HB2 ASN 30 HB2 ASN 30 -5.211 2.271 22.394 241 HB3 ASN 30 HB3 ASN 30 -5.416 1.518 23.973 242 HD21 ASN 30 HD21 ASN 30 -8.272 0.914 21.231 243 HD22 ASN 30 HD22 ASN 30 -6.778 1.729 20.804 244 H ASP 31 H ASP 31 -4.028 4.575 22.810 245 HA ASP 31 HA ASP 31 -2.709 5.559 25.261 246 HB2 ASP 31 HB2 ASP 31 -1.620 3.379 23.468 247 HB3 ASP 31 HB3 ASP 31 -0.508 4.557 24.162 248 H CYS 32 H CYS 32 -3.791 7.406 24.110 249 HA CYS 32 HA CYS 32 -2.717 8.493 21.724 250 HB2 CYS 32 HB2 CYS 32 -3.646 10.646 22.600 251 HB3 CYS 32 HB3 CYS 32 -4.801 9.310 22.728 252 HG CYS 32 HG CYS 32 -2.864 10.669 25.056 253 H ASN 33 H ASN 33 -1.361 8.411 24.910 254 HA ASN 33 HA ASN 33 0.634 10.399 24.838 255 HB2 ASN 33 HB2 ASN 33 1.867 8.810 26.370 256 HB3 ASN 33 HB3 ASN 33 0.205 9.127 26.838 257 HD21 ASN 33 HD21 ASN 33 -0.667 5.711 26.806 258 HD22 ASN 33 HD22 ASN 33 -0.994 7.344 27.378 259 H SER 34 H SER 34 0.555 7.254 23.230 260 HA SER 34 HA SER 34 3.251 7.580 22.038 261 HB2 SER 34 HB2 SER 34 1.150 5.400 21.837 262 HB3 SER 34 HB3 SER 34 2.787 5.329 21.153 263 HG SER 34 HG SER 34 2.105 5.641 23.922 264 H ALA 35 H ALA 35 -0.166 7.804 21.175 265 HA ALA 35 HA ALA 35 0.184 7.727 18.326 266 HB1 ALA 35 HB1 ALA 35 -2.208 9.092 19.462 267 HB2 ALA 35 HB2 ALA 35 -2.091 7.684 18.365 268 HB3 ALA 35 HB3 ALA 35 -1.906 7.477 20.099 269 H LEU 36 H LEU 36 -0.168 10.492 20.611 270 HA LEU 36 HA LEU 36 -0.003 12.449 18.530 271 HB2 LEU 36 HB2 LEU 36 0.044 14.041 20.327 272 HB3 LEU 36 HB3 LEU 36 -1.005 12.735 20.780 273 HG LEU 36 HG LEU 36 1.179 11.838 22.062 274 HD11 LEU 36 HD11 LEU 36 2.491 13.690 22.984 275 HD12 LEU 36 HD12 LEU 36 2.664 13.679 21.227 276 HD13 LEU 36 HD13 LEU 36 1.595 14.865 22.000 277 HD21 LEU 36 HD21 LEU 36 0.392 13.081 24.055 278 HD22 LEU 36 HD22 LEU 36 -0.549 14.170 23.004 279 HD23 LEU 36 HD23 LEU 36 -0.969 12.454 23.118 280 H ASP 37 H ASP 37 2.379 10.658 20.331 281 HA ASP 37 HA ASP 37 4.711 11.957 19.182 282 HB2 ASP 37 HB2 ASP 37 4.288 9.400 20.741 283 HB3 ASP 37 HB3 ASP 37 5.849 9.805 20.039 284 H GLN 38 H GLN 38 2.382 10.189 17.565 285 HA GLN 38 HA GLN 38 4.355 9.388 15.522 286 HB2 GLN 38 HB2 GLN 38 1.391 8.696 15.856 287 HB3 GLN 38 HB3 GLN 38 2.325 8.292 14.419 288 HG2 GLN 38 HG2 GLN 38 3.078 7.397 17.225 289 HG3 GLN 38 HG3 GLN 38 2.078 6.444 16.138 290 HE21 GLN 38 HE21 GLN 38 5.537 5.149 15.807 291 HE22 GLN 38 HE22 GLN 38 4.341 5.246 17.093 292 H LEU 39 H LEU 39 1.115 11.088 15.462 293 HA LEU 39 HA LEU 39 1.894 12.113 12.881 294 HB2 LEU 39 HB2 LEU 39 -0.400 13.140 14.575 295 HB3 LEU 39 HB3 LEU 39 -0.151 13.365 12.840 296 HG LEU 39 HG LEU 39 -0.772 10.814 14.326 297 HD11 LEU 39 HD11 LEU 39 -2.665 12.368 13.782 298 HD12 LEU 39 HD12 LEU 39 -2.221 12.295 12.069 299 HD13 LEU 39 HD13 LEU 39 -2.797 10.840 12.900 300 HD21 LEU 39 HD21 LEU 39 -0.143 11.128 11.345 301 HD22 LEU 39 HD22 LEU 39 0.816 10.199 12.519 302 HD23 LEU 39 HD23 LEU 39 -0.796 9.663 12.102 303 H LEU 40 H LEU 40 2.133 13.651 16.113 304 HA LEU 40 HA LEU 40 2.785 16.197 14.761 305 HB2 LEU 40 HB2 LEU 40 2.932 15.756 17.729 306 HB3 LEU 40 HB3 LEU 40 2.952 17.249 16.829 307 HG LEU 40 HG LEU 40 0.766 17.412 17.468 308 HD11 LEU 40 HD11 LEU 40 0.065 15.338 15.392 309 HD12 LEU 40 HD12 LEU 40 -0.909 16.667 16.012 310 HD13 LEU 40 HD13 LEU 40 0.517 17.008 15.016 311 HD21 LEU 40 HD21 LEU 40 1.038 15.463 18.939 312 HD22 LEU 40 HD22 LEU 40 -0.590 15.671 18.294 313 HD23 LEU 40 HD23 LEU 40 0.486 14.432 17.606 314 H VAL 41 H VAL 41 4.483 13.375 15.417 315 HA VAL 41 HA VAL 41 7.135 14.578 15.526 316 HB VAL 41 HB VAL 41 6.111 11.757 15.145 317 HG11 VAL 41 HG11 VAL 41 9.025 12.653 14.958 318 HG12 VAL 41 HG12 VAL 41 8.481 10.975 15.188 319 HG13 VAL 41 HG13 VAL 41 8.081 11.825 13.699 320 HG21 VAL 41 HG21 VAL 41 7.899 13.191 17.202 321 HG22 VAL 41 HG22 VAL 41 6.208 12.718 17.443 322 HG23 VAL 41 HG23 VAL 41 7.461 11.479 17.269 323 H LEU 42 H LEU 42 4.927 13.404 12.999 324 HA LEU 42 HA LEU 42 6.657 13.844 10.757 325 HB2 LEU 42 HB2 LEU 42 3.688 14.340 11.018 326 HB3 LEU 42 HB3 LEU 42 4.554 14.348 9.504 327 HG LEU 42 HG LEU 42 4.382 11.899 11.317 328 HD11 LEU 42 HD11 LEU 42 2.141 12.443 10.495 329 HD12 LEU 42 HD12 LEU 42 2.738 12.537 8.818 330 HD13 LEU 42 HD13 LEU 42 2.746 10.995 9.695 331 HD21 LEU 42 HD21 LEU 42 5.093 10.719 9.231 332 HD22 LEU 42 HD22 LEU 42 5.200 12.281 8.387 333 HD23 LEU 42 HD23 LEU 42 6.304 11.904 9.729 334 H GLU 43 H GLU 43 4.361 16.108 12.342 335 HA GLU 43 HA GLU 43 5.087 18.501 11.055 336 HB2 GLU 43 HB2 GLU 43 3.299 18.597 12.478 337 HB3 GLU 43 HB3 GLU 43 4.110 17.881 13.837 338 HG2 GLU 43 HG2 GLU 43 5.053 20.556 12.824 339 HG3 GLU 43 HG3 GLU 43 3.530 20.498 13.657 340 H LYS 44 H LYS 44 6.711 17.006 13.827 341 HA LYS 44 HA LYS 44 8.690 19.023 14.213 342 HB2 LYS 44 HB2 LYS 44 8.017 17.182 15.815 343 HB3 LYS 44 HB3 LYS 44 8.941 16.049 14.830 344 HG2 LYS 44 HG2 LYS 44 11.016 17.416 15.231 345 HG3 LYS 44 HG3 LYS 44 10.058 18.549 16.188 346 HD2 LYS 44 HD2 LYS 44 11.229 17.155 17.713 347 HD3 LYS 44 HD3 LYS 44 9.527 16.682 17.799 348 HE2 LYS 44 HE2 LYS 44 10.006 14.717 16.339 349 HE3 LYS 44 HE3 LYS 44 11.684 15.248 16.165 350 HZ1 LYS 44 HZ1 LYS 44 10.433 14.446 18.741 351 HZ2 LYS 44 HZ2 LYS 44 11.475 13.538 17.874 352 HZ3 LYS 44 HZ3 LYS 44 11.978 14.924 18.551 353 H LYS 45 H LYS 45 8.917 15.954 12.444 354 HA LYS 45 HA LYS 45 11.573 16.297 11.421 355 HB2 LYS 45 HB2 LYS 45 10.366 14.129 11.512 356 HB3 LYS 45 HB3 LYS 45 9.158 14.724 10.384 357 HG2 LYS 45 HG2 LYS 45 10.698 13.233 9.260 358 HG3 LYS 45 HG3 LYS 45 10.837 14.856 8.581 359 HD2 LYS 45 HD2 LYS 45 12.919 15.243 9.873 360 HD3 LYS 45 HD3 LYS 45 12.750 13.642 10.629 361 HE2 LYS 45 HE2 LYS 45 12.875 12.589 8.360 362 HE3 LYS 45 HE3 LYS 45 13.084 14.190 7.638 363 HZ1 LYS 45 HZ1 LYS 45 14.955 12.929 9.570 364 HZ2 LYS 45 HZ2 LYS 45 15.211 13.094 7.973 365 HZ3 LYS 45 HZ3 LYS 45 15.156 14.410 8.919 366 H THR 46 H THR 46 8.419 17.170 10.035 367 HA THR 46 HA THR 46 9.449 18.058 7.509 368 HB THR 46 HB THR 46 7.204 19.089 7.235 369 HG1 THR 46 HG1 THR 46 6.619 17.728 9.603 370 HG21 THR 46 HG21 THR 46 6.015 16.807 7.563 371 HG22 THR 46 HG22 THR 46 7.335 16.953 6.369 372 HG23 THR 46 HG23 THR 46 7.620 16.174 7.941 373 H ARG 47 H ARG 47 8.634 19.993 10.450 374 HA ARG 47 HA ARG 47 9.371 22.503 9.221 375 HB2 ARG 47 HB2 ARG 47 8.207 22.615 11.366 376 HB3 ARG 47 HB3 ARG 47 9.421 21.615 12.152 377 HG2 ARG 47 HG2 ARG 47 9.654 23.945 12.807 378 HG3 ARG 47 HG3 ARG 47 11.088 23.418 11.951 379 HD2 ARG 47 HD2 ARG 47 10.080 24.499 9.832 380 HD3 ARG 47 HD3 ARG 47 8.811 25.124 10.871 381 HE ARG 47 HE ARG 47 10.286 26.660 11.821 382 HH11 ARG 47 HH11 ARG 47 12.213 24.503 9.753 383 HH12 ARG 47 HH12 ARG 47 13.540 25.633 9.759 384 HH21 ARG 47 HH21 ARG 47 12.040 28.001 11.682 385 HH22 ARG 47 HH22 ARG 47 13.456 27.489 10.814 386 H GLN 48 H GLN 48 11.347 20.046 10.864 387 HA GLN 48 HA GLN 48 13.776 21.576 10.731 388 HB2 GLN 48 HB2 GLN 48 13.210 18.633 11.266 389 HB3 GLN 48 HB3 GLN 48 14.826 19.331 11.349 390 HG2 GLN 48 HG2 GLN 48 12.454 20.302 13.004 391 HG3 GLN 48 HG3 GLN 48 13.659 19.151 13.574 392 HE21 GLN 48 HE21 GLN 48 14.586 22.561 14.801 393 HE22 GLN 48 HE22 GLN 48 13.173 21.531 14.976 394 H ALA 49 H ALA 49 12.510 18.939 8.698 395 HA ALA 49 HA ALA 49 14.794 18.752 6.994 396 HB1 ALA 49 HB1 ALA 49 13.279 16.886 7.575 397 HB2 ALA 49 HB2 ALA 49 11.935 17.711 6.762 398 HB3 ALA 49 HB3 ALA 49 13.322 17.128 5.818 399 H SER 50 H SER 50 12.390 21.128 7.005 400 HA SER 50 HA SER 50 11.470 22.556 5.558 401 HB2 SER 50 HB2 SER 50 13.732 21.968 3.624 402 HB3 SER 50 HB3 SER 50 12.602 23.330 3.558 403 HG SER 50 HG SER 50 14.464 22.751 5.619 404 H ASP 51 H ASP 51 10.672 19.837 5.600 405 HA ASP 51 HA ASP 51 9.255 19.460 2.988 406 HB2 ASP 51 HB2 ASP 51 9.544 17.648 5.408 407 HB3 ASP 51 HB3 ASP 51 8.532 17.290 4.021 408 H LEU 52 H LEU 52 8.896 21.631 4.895 409 HA LEU 52 HA LEU 52 6.922 21.263 6.729 410 HB2 LEU 52 HB2 LEU 52 6.819 23.544 7.000 411 HB3 LEU 52 HB3 LEU 52 8.503 23.072 6.713 412 HG LEU 52 HG LEU 52 6.670 24.333 4.608 413 HD11 LEU 52 HD11 LEU 52 7.902 26.435 5.085 414 HD12 LEU 52 HD12 LEU 52 6.913 25.868 6.439 415 HD13 LEU 52 HD13 LEU 52 8.682 25.633 6.473 416 HD21 LEU 52 HD21 LEU 52 8.862 24.910 3.523 417 HD22 LEU 52 HD22 LEU 52 9.688 23.925 4.759 418 HD23 LEU 52 HD23 LEU 52 8.559 23.175 3.602 419 H ALA 53 H ALA 53 6.359 21.651 3.440 420 HA ALA 53 HA ALA 53 3.624 22.496 3.355 421 HB1 ALA 53 HB1 ALA 53 3.474 21.214 1.271 422 HB2 ALA 53 HB2 ALA 53 5.046 22.037 1.342 423 HB3 ALA 53 HB3 ALA 53 4.925 20.294 1.703 424 H SER 54 H SER 54 5.044 19.547 4.552 425 HA SER 54 HA SER 54 2.448 18.177 5.109 426 HB2 SER 54 HB2 SER 54 4.407 16.888 4.410 427 HB3 SER 54 HB3 SER 54 5.333 17.526 5.732 428 HG SER 54 HG SER 54 3.932 15.359 5.798 429 H SER 55 H SER 55 5.166 19.730 6.974 430 HA SER 55 HA SER 55 4.144 19.655 9.531 431 HB2 SER 55 HB2 SER 55 6.276 20.887 8.642 432 HB3 SER 55 HB3 SER 55 5.209 22.279 8.486 433 HG SER 55 HG SER 55 6.010 20.851 10.774 434 H LYS 56 H LYS 56 3.265 22.005 7.066 435 HA LYS 56 HA LYS 56 1.256 23.467 8.513 436 HB2 LYS 56 HB2 LYS 56 1.806 23.106 5.549 437 HB3 LYS 56 HB3 LYS 56 0.551 24.186 6.177 438 HG2 LYS 56 HG2 LYS 56 2.267 25.377 7.536 439 HG3 LYS 56 HG3 LYS 56 3.538 24.411 6.786 440 HD2 LYS 56 HD2 LYS 56 1.619 26.295 5.337 441 HD3 LYS 56 HD3 LYS 56 3.292 26.659 5.766 442 HE2 LYS 56 HE2 LYS 56 4.073 24.765 4.328 443 HE3 LYS 56 HE3 LYS 56 2.393 24.455 3.858 444 HZ1 LYS 56 HZ1 LYS 56 3.521 25.844 2.214 445 HZ2 LYS 56 HZ2 LYS 56 2.311 26.686 2.897 446 HZ3 LYS 56 HZ3 LYS 56 3.854 26.987 3.319 447 H GLU 57 H GLU 57 1.064 20.416 6.889 448 HA GLU 57 HA GLU 57 -1.897 20.369 6.698 449 HB2 GLU 57 HB2 GLU 57 -0.384 19.487 4.899 450 HB3 GLU 57 HB3 GLU 57 0.285 18.359 6.056 451 HG2 GLU 57 HG2 GLU 57 -1.102 17.035 4.932 452 HG3 GLU 57 HG3 GLU 57 -2.118 17.452 6.319 453 H VAL 58 H VAL 58 0.742 19.135 8.771 454 HA VAL 58 HA VAL 58 -1.116 17.733 10.543 455 HB VAL 58 HB VAL 58 1.338 18.780 11.764 456 HG11 VAL 58 HG11 VAL 58 1.405 16.650 12.802 457 HG12 VAL 58 HG12 VAL 58 -0.290 17.158 12.796 458 HG13 VAL 58 HG13 VAL 58 0.283 15.943 11.629 459 HG21 VAL 58 HG21 VAL 58 1.548 16.940 9.407 460 HG22 VAL 58 HG22 VAL 58 2.525 18.334 9.838 461 HG23 VAL 58 HG23 VAL 58 2.702 16.831 10.747 462 H LEU 59 H LEU 59 0.407 20.924 10.512 463 HA LEU 59 HA LEU 59 -0.279 21.797 13.042 464 HB2 LEU 59 HB2 LEU 59 0.221 23.163 10.447 465 HB3 LEU 59 HB3 LEU 59 -0.291 24.139 11.817 466 HG LEU 59 HG LEU 59 2.058 22.208 12.055 467 HD11 LEU 59 HD11 LEU 59 2.166 25.169 11.360 468 HD12 LEU 59 HD12 LEU 59 3.541 24.097 11.705 469 HD13 LEU 59 HD13 LEU 59 2.568 23.815 10.269 470 HD21 LEU 59 HD21 LEU 59 2.650 23.761 13.911 471 HD22 LEU 59 HD22 LEU 59 1.141 24.638 13.642 472 HD23 LEU 59 HD23 LEU 59 1.102 22.937 14.160 473 H ALA 60 H ALA 60 -2.472 21.751 10.301 474 HA ALA 60 HA ALA 60 -4.527 23.159 11.739 475 HB1 ALA 60 HB1 ALA 60 -5.863 22.613 9.651 476 HB2 ALA 60 HB2 ALA 60 -4.280 23.338 9.287 477 HB3 ALA 60 HB3 ALA 60 -4.516 21.585 9.105 478 H LYS 61 H LYS 61 -3.556 20.057 12.192 479 HA LYS 61 HA LYS 61 -6.017 19.614 13.728 480 HB2 LYS 61 HB2 LYS 61 -6.676 17.787 12.819 481 HB3 LYS 61 HB3 LYS 61 -5.582 18.147 11.489 482 HG2 LYS 61 HG2 LYS 61 -4.966 16.325 13.867 483 HG3 LYS 61 HG3 LYS 61 -5.522 15.761 12.309 484 HD2 LYS 61 HD2 LYS 61 -3.009 17.441 12.429 485 HD3 LYS 61 HD3 LYS 61 -2.955 15.782 12.964 486 HE2 LYS 61 HE2 LYS 61 -2.209 15.964 10.675 487 HE3 LYS 61 HE3 LYS 61 -3.628 14.925 10.835 488 HZ1 LYS 61 HZ1 LYS 61 -4.979 16.855 9.978 489 HZ2 LYS 61 HZ2 LYS 61 -3.573 17.656 9.619 490 HZ3 LYS 61 HZ3 LYS 61 -3.935 16.250 8.911 491 H ILE 62 H ILE 62 -2.733 19.891 13.780 492 HA ILE 62 HA ILE 62 -1.849 18.652 15.987 493 HB ILE 62 HB ILE 62 -1.201 20.837 14.487 494 HG12 ILE 62 HG12 ILE 62 0.749 20.937 16.410 495 HG13 ILE 62 HG13 ILE 62 0.073 19.342 16.659 496 HG21 ILE 62 HG21 ILE 62 -0.740 22.779 15.743 497 HG22 ILE 62 HG22 ILE 62 -2.453 22.431 15.757 498 HG23 ILE 62 HG23 ILE 62 -1.473 22.083 17.212 499 HD11 ILE 62 HD11 ILE 62 1.747 19.038 15.010 500 HD12 ILE 62 HD12 ILE 62 0.221 19.126 14.066 501 HD13 ILE 62 HD13 ILE 62 1.315 20.536 14.157 502 H VAL 63 H VAL 63 -4.355 21.179 16.045 503 HA VAL 63 HA VAL 63 -4.363 21.309 18.979 504 HB VAL 63 HB VAL 63 -5.233 23.136 17.633 505 HG11 VAL 63 HG11 VAL 63 -7.439 23.172 16.703 506 HG12 VAL 63 HG12 VAL 63 -6.546 21.855 15.923 507 HG13 VAL 63 HG13 VAL 63 -7.749 21.496 17.191 508 HG21 VAL 63 HG21 VAL 63 -7.193 23.550 19.119 509 HG22 VAL 63 HG22 VAL 63 -7.093 21.862 19.634 510 HG23 VAL 63 HG23 VAL 63 -5.744 22.980 19.972 511 H ASP 64 H ASP 64 -6.099 19.446 16.635 512 HA ASP 64 HA ASP 64 -7.876 18.176 18.458 513 HB2 ASP 64 HB2 ASP 64 -7.203 17.463 15.572 514 HB3 ASP 64 HB3 ASP 64 -8.540 16.783 16.495 515 H LEU 65 H LEU 65 -4.592 17.529 17.825 516 HA LEU 65 HA LEU 65 -4.917 14.947 19.271 517 HB2 LEU 65 HB2 LEU 65 -4.186 14.838 16.830 518 HB3 LEU 65 HB3 LEU 65 -2.660 15.516 17.365 519 HG LEU 65 HG LEU 65 -2.406 13.482 18.915 520 HD11 LEU 65 HD11 LEU 65 -4.736 12.801 19.169 521 HD12 LEU 65 HD12 LEU 65 -4.875 12.529 17.421 522 HD13 LEU 65 HD13 LEU 65 -3.806 11.507 18.413 523 HD21 LEU 65 HD21 LEU 65 -1.783 11.987 17.130 524 HD22 LEU 65 HD22 LEU 65 -2.852 12.847 15.990 525 HD23 LEU 65 HD23 LEU 65 -1.406 13.640 16.638 526 H LEU 66 H LEU 66 -2.635 17.833 19.098 527 HA LEU 66 HA LEU 66 -1.469 17.050 21.635 528 HB2 LEU 66 HB2 LEU 66 -1.644 19.769 20.318 529 HB3 LEU 66 HB3 LEU 66 -0.702 19.440 21.759 530 HG LEU 66 HG LEU 66 -0.262 18.065 19.121 531 HD11 LEU 66 HD11 LEU 66 1.635 19.678 18.861 532 HD12 LEU 66 HD12 LEU 66 0.033 20.438 18.823 533 HD13 LEU 66 HD13 LEU 66 1.026 20.565 20.282 534 HD21 LEU 66 HD21 LEU 66 2.002 17.608 20.080 535 HD22 LEU 66 HD22 LEU 66 1.487 18.363 21.603 536 HD23 LEU 66 HD23 LEU 66 0.709 16.865 21.038 537 H ALA 67 H ALA 67 -3.391 20.053 21.167 538 HA ALA 67 HA ALA 67 -4.097 20.412 23.851 539 HB1 ALA 67 HB1 ALA 67 -4.375 22.087 22.092 540 HB2 ALA 67 HB2 ALA 67 -5.640 21.120 21.322 541 HB3 ALA 67 HB3 ALA 67 -5.929 21.844 22.915 542 H SER 68 H SER 68 -5.940 18.624 21.484 543 HA SER 68 HA SER 68 -8.225 17.889 22.949 544 HB2 SER 68 HB2 SER 68 -7.937 17.590 20.559 545 HB3 SER 68 HB3 SER 68 -6.641 16.414 20.836 546 HG SER 68 HG SER 68 -8.560 15.392 20.336 547 H ARG 69 H ARG 69 -4.970 16.590 23.287 548 HA ARG 69 HA ARG 69 -5.921 14.374 25.075 549 HB2 ARG 69 HB2 ARG 69 -3.445 14.380 23.328 550 HB3 ARG 69 HB3 ARG 69 -4.018 13.055 24.325 551 HG2 ARG 69 HG2 ARG 69 -5.504 14.128 21.876 552 HG3 ARG 69 HG3 ARG 69 -4.388 12.777 21.882 553 HD2 ARG 69 HD2 ARG 69 -6.533 11.811 21.919 554 HD3 ARG 69 HD3 ARG 69 -5.885 11.599 23.549 555 HE ARG 69 HE ARG 69 -7.414 14.006 23.482 556 HH11 ARG 69 HH11 ARG 69 -8.077 10.552 23.344 557 HH12 ARG 69 HH12 ARG 69 -9.645 10.776 24.075 558 HH21 ARG 69 HH21 ARG 69 -9.338 14.178 24.401 559 HH22 ARG 69 HH22 ARG 69 -10.349 12.765 24.643 560 H ASN 70 H ASN 70 -5.455 17.062 25.911 561 HA ASN 70 HA ASN 70 -4.613 18.203 27.517 562 HB2 ASN 70 HB2 ASN 70 -3.434 15.666 28.677 563 HB3 ASN 70 HB3 ASN 70 -3.753 17.154 29.543 564 HD21 ASN 70 HD21 ASN 70 -6.656 14.498 29.497 565 HD22 ASN 70 HD22 ASN 70 -4.954 14.138 29.227 566 H LYS 71 H LYS 71 -2.660 17.424 25.139 567 HA LYS 71 HA LYS 71 -0.270 18.677 26.309 568 HB2 LYS 71 HB2 LYS 71 -0.577 17.382 23.586 569 HB3 LYS 71 HB3 LYS 71 0.907 18.069 24.222 570 HG2 LYS 71 HG2 LYS 71 -0.556 15.637 25.317 571 HG3 LYS 71 HG3 LYS 71 0.931 15.654 24.370 572 HD2 LYS 71 HD2 LYS 71 2.070 16.924 26.205 573 HD3 LYS 71 HD3 LYS 71 0.596 16.774 27.186 574 HE2 LYS 71 HE2 LYS 71 0.745 14.297 27.031 575 HE3 LYS 71 HE3 LYS 71 2.223 14.444 26.069 576 HZ1 LYS 71 HZ1 LYS 71 3.269 15.537 27.988 577 HZ2 LYS 71 HZ2 LYS 71 1.909 15.376 28.871 578 HZ3 LYS 71 HZ3 LYS 71 2.732 14.058 28.398 579 H TRP 72 H TRP 72 -2.730 20.154 25.876 580 HA TRP 72 HA TRP 72 -2.389 22.162 23.941 581 HB2 TRP 72 HB2 TRP 72 -3.447 23.493 26.104 582 HB3 TRP 72 HB3 TRP 72 -4.309 22.605 24.853 583 HD1 TRP 72 HD1 TRP 72 -2.678 21.173 28.069 584 HE1 TRP 72 HE1 TRP 72 -4.496 19.916 29.352 585 HE3 TRP 72 HE3 TRP 72 -6.753 22.393 25.194 586 HZ2 TRP 72 HZ2 TRP 72 -7.355 19.589 29.261 587 HZ3 TRP 72 HZ3 TRP 72 -9.012 21.634 25.849 588 HH2 TRP 72 HH2 TRP 72 -9.334 20.213 27.867 589 H ASP 73 H ASP 73 -0.396 21.580 26.696 590 HA ASP 73 HA ASP 73 0.963 24.058 27.043 591 HB2 ASP 73 HB2 ASP 73 1.718 21.113 27.125 592 HB3 ASP 73 HB3 ASP 73 2.925 22.367 27.450 593 H ASP 74 H ASP 74 1.174 21.683 24.375 594 HA ASP 74 HA ASP 74 3.559 22.920 23.274 595 HB2 ASP 74 HB2 ASP 74 1.815 20.622 22.377 596 HB3 ASP 74 HB3 ASP 74 3.256 21.160 21.519 597 H LEU 75 H LEU 75 0.112 23.365 22.708 598 HA LEU 75 HA LEU 75 0.042 24.205 20.009 599 HB2 LEU 75 HB2 LEU 75 -1.605 24.540 22.419 600 HB3 LEU 75 HB3 LEU 75 -1.764 25.796 21.174 601 HG LEU 75 HG LEU 75 -3.355 23.816 21.163 602 HD11 LEU 75 HD11 LEU 75 -3.370 23.707 18.648 603 HD12 LEU 75 HD12 LEU 75 -3.398 25.309 19.389 604 HD13 LEU 75 HD13 LEU 75 -1.889 24.687 18.667 605 HD21 LEU 75 HD21 LEU 75 -1.104 22.340 19.793 606 HD22 LEU 75 HD22 LEU 75 -1.642 22.039 21.460 607 HD23 LEU 75 HD23 LEU 75 -2.745 21.779 20.105 608 H ASN 76 H ASN 76 1.066 26.013 22.804 609 HA ASN 76 HA ASN 76 1.640 28.575 21.840 610 HB2 ASN 76 HB2 ASN 76 2.138 28.389 24.062 611 HB3 ASN 76 HB3 ASN 76 2.517 26.684 23.935 612 HD21 ASN 76 HD21 ASN 76 5.636 29.218 24.066 613 HD22 ASN 76 HD22 ASN 76 3.996 29.863 24.089 614 H GLU 77 H GLU 77 3.680 25.687 21.436 615 HA GLU 77 HA GLU 77 5.671 27.067 19.846 616 HB2 GLU 77 HB2 GLU 77 6.352 25.270 21.276 617 HB3 GLU 77 HB3 GLU 77 5.262 24.127 20.472 618 HG2 GLU 77 HG2 GLU 77 6.518 24.158 18.460 619 HG3 GLU 77 HG3 GLU 77 7.431 25.594 18.950 620 H GLN 78 H GLN 78 2.766 25.174 19.185 621 HA GLN 78 HA GLN 78 3.263 24.765 16.390 622 HB2 GLN 78 HB2 GLN 78 0.535 24.981 17.720 623 HB3 GLN 78 HB3 GLN 78 0.942 24.152 16.230 624 HG2 GLN 78 HG2 GLN 78 1.715 23.382 19.056 625 HG3 GLN 78 HG3 GLN 78 0.671 22.519 17.972 626 HE21 GLN 78 HE21 GLN 78 3.684 21.396 16.090 627 HE22 GLN 78 HE22 GLN 78 2.458 22.564 15.597 628 H LEU 79 H LEU 79 1.792 27.512 18.093 629 HA LEU 79 HA LEU 79 1.211 29.087 15.760 630 HB2 LEU 79 HB2 LEU 79 2.117 29.917 18.549 631 HB3 LEU 79 HB3 LEU 79 1.369 30.972 17.350 632 HG LEU 79 HG LEU 79 0.050 28.822 19.010 633 HD11 LEU 79 HD11 LEU 79 -1.367 30.789 19.614 634 HD12 LEU 79 HD12 LEU 79 0.340 31.098 19.932 635 HD13 LEU 79 HD13 LEU 79 -0.446 31.795 18.505 636 HD21 LEU 79 HD21 LEU 79 -0.764 28.414 16.745 637 HD22 LEU 79 HD22 LEU 79 -2.023 29.203 17.653 638 HD23 LEU 79 HD23 LEU 79 -1.057 30.155 16.496 639 H THR 80 H THR 80 4.196 28.247 17.243 640 HA THR 80 HA THR 80 5.691 30.648 16.386 641 HB THR 80 HB THR 80 6.180 28.278 18.200 642 HG1 THR 80 HG1 THR 80 5.038 29.732 19.228 643 HG21 THR 80 HG21 THR 80 8.246 28.542 17.275 644 HG22 THR 80 HG22 THR 80 8.145 30.344 17.299 645 HG23 THR 80 HG23 THR 80 8.305 29.414 18.822 646 H LEU 81 H LEU 81 5.567 27.180 15.670 647 HA LEU 81 HA LEU 81 7.843 26.284 14.755 648 HB2 LEU 81 HB2 LEU 81 5.079 25.844 14.085 649 HB3 LEU 81 HB3 LEU 81 6.055 25.671 12.627 650 HG LEU 81 HG LEU 81 7.599 24.158 13.882 651 HD11 LEU 81 HD11 LEU 81 6.871 23.171 15.992 652 HD12 LEU 81 HD12 LEU 81 6.965 24.933 16.213 653 HD13 LEU 81 HD13 LEU 81 5.396 24.150 15.988 654 HD21 LEU 81 HD21 LEU 81 5.661 23.410 12.416 655 HD22 LEU 81 HD22 LEU 81 6.268 22.255 13.591 656 HD23 LEU 81 HD23 LEU 81 4.744 23.102 13.906 657 H LEU 82 H LEU 82 6.007 27.935 12.213 658 HA LEU 82 HA LEU 82 8.386 27.886 10.519 659 HB2 LEU 82 HB2 LEU 82 5.854 29.423 9.875 660 HB3 LEU 82 HB3 LEU 82 7.033 28.746 8.768 661 HG LEU 82 HG LEU 82 4.992 27.211 10.423 662 HD11 LEU 82 HD11 LEU 82 5.318 27.573 7.419 663 HD12 LEU 82 HD12 LEU 82 4.049 26.651 8.255 664 HD13 LEU 82 HD13 LEU 82 4.128 28.410 8.443 665 HD21 LEU 82 HD21 LEU 82 6.840 25.747 10.349 666 HD22 LEU 82 HD22 LEU 82 5.776 25.216 9.054 667 HD23 LEU 82 HD23 LEU 82 7.237 26.173 8.669 668 H SER 83 H SER 83 7.590 29.898 12.951 669 HA SER 83 HA SER 83 8.940 32.321 11.871 670 HB2 SER 83 HB2 SER 83 6.506 32.588 12.261 671 HB3 SER 83 HB3 SER 83 6.727 32.116 13.955 672 HG SER 83 HG SER 83 8.229 33.910 14.071 673 H LYS 84 H LYS 84 9.622 29.752 13.756 674 HA LYS 84 HA LYS 84 10.512 30.443 16.240 675 HB2 LYS 84 HB2 LYS 84 11.803 28.725 14.100 676 HB3 LYS 84 HB3 LYS 84 12.565 28.901 15.683 677 HG2 LYS 84 HG2 LYS 84 10.690 27.975 16.834 678 HG3 LYS 84 HG3 LYS 84 9.693 27.960 15.377 679 HD2 LYS 84 HD2 LYS 84 11.165 26.324 14.308 680 HD3 LYS 84 HD3 LYS 84 12.312 26.389 15.645 681 HE2 LYS 84 HE2 LYS 84 9.409 25.503 15.954 682 HE3 LYS 84 HE3 LYS 84 10.722 24.385 15.571 683 HZ1 LYS 84 HZ1 LYS 84 10.251 24.515 18.003 684 HZ2 LYS 84 HZ2 LYS 84 11.792 24.897 17.648 685 HZ3 LYS 84 HZ3 LYS 84 10.729 26.069 18.028 686 H LYS 85 H LYS 85 12.239 31.492 13.327 687 HA LYS 85 HA LYS 85 14.540 32.558 14.791 688 HB2 LYS 85 HB2 LYS 85 13.679 32.882 11.882 689 HB3 LYS 85 HB3 LYS 85 15.205 33.464 12.566 690 HG2 LYS 85 HG2 LYS 85 15.812 31.130 13.209 691 HG3 LYS 85 HG3 LYS 85 14.317 30.549 12.474 692 HD2 LYS 85 HD2 LYS 85 16.093 30.163 10.930 693 HD3 LYS 85 HD3 LYS 85 15.063 31.442 10.265 694 HE2 LYS 85 HE2 LYS 85 16.701 33.156 11.029 695 HE3 LYS 85 HE3 LYS 85 17.693 31.889 11.762 696 HZ1 LYS 85 HZ1 LYS 85 17.117 32.131 8.858 697 HZ2 LYS 85 HZ2 LYS 85 18.524 32.520 9.576 698 HZ3 LYS 85 HZ3 LYS 85 18.040 30.972 9.539 699 H HIS 86 H HIS 86 11.522 33.746 14.789 700 HA HIS 86 HA HIS 86 10.424 35.618 15.132 701 HB2 HIS 86 HB2 HIS 86 11.171 37.010 16.872 702 HB3 HIS 86 HB3 HIS 86 11.696 35.362 17.187 703 HD2 HIS 86 HD2 HIS 86 14.157 35.113 17.933 704 HE1 HIS 86 HE1 HIS 86 15.717 38.864 16.623 705 HE2 HIS 86 HE2 HIS 86 16.243 36.727 17.897 706 H GLY 87 H GLY 87 13.183 36.269 13.143 707 HA2 GLY 87 HA2 GLY 87 12.411 38.950 12.378 708 HA3 GLY 87 HA3 GLY 87 13.468 37.854 11.492 709 H GLN 88 H GLN 88 10.867 35.965 11.693 710 HA GLN 88 HA GLN 88 9.845 36.613 9.038 711 HB2 GLN 88 HB2 GLN 88 9.232 34.431 11.067 712 HB3 GLN 88 HB3 GLN 88 8.395 34.553 9.521 713 HG2 GLN 88 HG2 GLN 88 11.417 34.213 9.812 714 HG3 GLN 88 HG3 GLN 88 10.277 32.906 9.523 715 HE21 GLN 88 HE21 GLN 88 11.632 33.788 6.194 716 HE22 GLN 88 HE22 GLN 88 12.255 33.091 7.685 717 H LEU 89 H LEU 89 7.659 36.841 8.534 718 HA LEU 89 HA LEU 89 6.189 38.682 10.282 719 HB2 LEU 89 HB2 LEU 89 6.468 39.180 7.958 720 HB3 LEU 89 HB3 LEU 89 5.760 37.660 7.451 721 HG LEU 89 HG LEU 89 4.023 39.420 9.156 722 HD11 LEU 89 HD11 LEU 89 5.062 41.080 7.685 723 HD12 LEU 89 HD12 LEU 89 4.654 40.098 6.255 724 HD13 LEU 89 HD13 LEU 89 3.366 40.821 7.246 725 HD21 LEU 89 HD21 LEU 89 3.135 37.302 8.214 726 HD22 LEU 89 HD22 LEU 89 2.299 38.687 7.513 727 HD23 LEU 89 HD23 LEU 89 3.548 37.849 6.577 728 H LYS 90 H LYS 90 4.739 38.095 11.729 729 HA LYS 90 HA LYS 90 3.879 35.404 12.175 730 HB2 LYS 90 HB2 LYS 90 3.973 36.932 14.026 731 HB3 LYS 90 HB3 LYS 90 2.932 38.102 13.205 732 HG2 LYS 90 HG2 LYS 90 1.725 37.119 15.014 733 HG3 LYS 90 HG3 LYS 90 0.989 36.705 13.487 734 HD2 LYS 90 HD2 LYS 90 0.873 34.817 14.936 735 HD3 LYS 90 HD3 LYS 90 1.983 34.423 13.632 736 HE2 LYS 90 HE2 LYS 90 3.938 34.746 15.110 737 HE3 LYS 90 HE3 LYS 90 2.881 35.427 16.364 738 HZ1 LYS 90 HZ1 LYS 90 1.795 33.217 16.510 739 HZ2 LYS 90 HZ2 LYS 90 2.894 32.571 15.477 740 HZ3 LYS 90 HZ3 LYS 90 3.380 33.146 16.907 741 H LEU 91 H LEU 91 2.184 38.013 10.387 742 HA LEU 91 HA LEU 91 -0.283 36.740 10.360 743 HB2 LEU 91 HB2 LEU 91 0.815 39.086 9.220 744 HB3 LEU 91 HB3 LEU 91 -0.044 38.250 7.924 745 HG LEU 91 HG LEU 91 -1.234 38.911 10.661 746 HD11 LEU 91 HD11 LEU 91 -0.698 40.954 9.397 747 HD12 LEU 91 HD12 LEU 91 -1.586 40.328 7.986 748 HD13 LEU 91 HD13 LEU 91 -2.448 40.703 9.496 749 HD21 LEU 91 HD21 LEU 91 -3.404 38.461 9.575 750 HD22 LEU 91 HD22 LEU 91 -2.570 38.013 8.071 751 HD23 LEU 91 HD23 LEU 91 -2.388 37.020 9.524 752 H SER 92 H SER 92 2.318 35.394 8.986 753 HA SER 92 HA SER 92 0.942 33.852 6.849 754 HB2 SER 92 HB2 SER 92 3.264 34.634 6.472 755 HB3 SER 92 HB3 SER 92 3.786 33.791 7.942 756 HG SER 92 HG SER 92 2.840 32.681 5.509 757 H ILE 93 H ILE 93 2.443 33.343 10.085 758 HA ILE 93 HA ILE 93 1.370 30.576 10.176 759 HB ILE 93 HB ILE 93 3.717 31.053 10.816 760 HG12 ILE 93 HG12 ILE 93 2.109 29.906 13.152 761 HG13 ILE 93 HG13 ILE 93 2.270 29.068 11.607 762 HG21 ILE 93 HG21 ILE 93 3.390 33.185 12.005 763 HG22 ILE 93 HG22 ILE 93 2.540 32.292 13.303 764 HG23 ILE 93 HG23 ILE 93 4.257 31.993 12.976 765 HD11 ILE 93 HD11 ILE 93 4.678 29.062 11.816 766 HD12 ILE 93 HD12 ILE 93 4.597 29.837 13.404 767 HD13 ILE 93 HD13 ILE 93 3.905 28.216 13.174 768 H GLN 94 H GLN 94 0.441 33.698 11.131 769 HA GLN 94 HA GLN 94 -1.148 33.345 13.387 770 HB2 GLN 94 HB2 GLN 94 -0.606 35.453 12.395 771 HB3 GLN 94 HB3 GLN 94 -1.461 35.005 10.898 772 HG2 GLN 94 HG2 GLN 94 -2.723 36.636 12.001 773 HG3 GLN 94 HG3 GLN 94 -3.613 35.128 12.148 774 HE21 GLN 94 HE21 GLN 94 -3.819 36.717 15.477 775 HE22 GLN 94 HE22 GLN 94 -4.509 36.921 13.871 776 H TYR 95 H TYR 95 -1.773 32.247 10.089 777 HA TYR 95 HA TYR 95 -4.498 31.532 10.193 778 HB2 TYR 95 HB2 TYR 95 -3.132 31.386 8.185 779 HB3 TYR 95 HB3 TYR 95 -2.105 30.165 8.908 780 HD1 TYR 95 HD1 TYR 95 -5.569 30.835 7.681 781 HD2 TYR 95 HD2 TYR 95 -2.683 27.838 8.823 782 HE1 TYR 95 HE1 TYR 95 -7.050 29.046 6.760 783 HE2 TYR 95 HE2 TYR 95 -4.154 26.060 7.893 784 HH TYR 95 HH TYR 95 -6.106 25.601 6.815 785 H MET 96 H MET 96 -1.689 29.754 11.570 786 HA MET 96 HA MET 96 -3.160 27.450 12.503 787 HB2 MET 96 HB2 MET 96 -0.557 28.737 13.399 788 HB3 MET 96 HB3 MET 96 -1.151 27.196 13.995 789 HG2 MET 96 HG2 MET 96 0.427 26.650 12.313 790 HG3 MET 96 HG3 MET 96 -1.182 26.264 11.709 791 HE1 MET 96 HE1 MET 96 0.347 27.009 8.291 792 HE2 MET 96 HE2 MET 96 1.021 26.052 9.622 793 HE3 MET 96 HE3 MET 96 -0.720 25.971 9.261 794 H ILE 97 H ILE 97 -2.792 30.703 13.772 795 HA ILE 97 HA ILE 97 -3.599 30.060 16.434 796 HB ILE 97 HB ILE 97 -2.845 32.432 15.305 797 HG12 ILE 97 HG12 ILE 97 -4.362 32.172 17.936 798 HG13 ILE 97 HG13 ILE 97 -2.755 31.508 17.692 799 HG21 ILE 97 HG21 ILE 97 -5.223 32.834 14.459 800 HG22 ILE 97 HG22 ILE 97 -5.767 32.810 16.146 801 HG23 ILE 97 HG23 ILE 97 -4.643 34.063 15.593 802 HD11 ILE 97 HD11 ILE 97 -3.461 34.445 17.563 803 HD12 ILE 97 HD12 ILE 97 -2.548 33.567 18.811 804 HD13 ILE 97 HD13 ILE 97 -1.866 33.766 17.164 805 H GLN 98 H GLN 98 -5.539 30.128 13.531 806 HA GLN 98 HA GLN 98 -8.072 30.196 14.840 807 HB2 GLN 98 HB2 GLN 98 -7.281 28.745 12.283 808 HB3 GLN 98 HB3 GLN 98 -8.926 29.074 12.805 809 HG2 GLN 98 HG2 GLN 98 -6.824 31.172 12.070 810 HG3 GLN 98 HG3 GLN 98 -8.219 30.687 11.106 811 HE21 GLN 98 HE21 GLN 98 -10.539 32.407 13.424 812 HE22 GLN 98 HE22 GLN 98 -10.429 30.828 12.658 813 H LYS 99 H LYS 99 -5.622 27.756 14.893 814 HA LYS 99 HA LYS 99 -7.405 25.640 15.944 815 HB2 LYS 99 HB2 LYS 99 -4.377 25.609 15.522 816 HB3 LYS 99 HB3 LYS 99 -5.401 24.238 15.825 817 HG2 LYS 99 HG2 LYS 99 -5.462 25.951 13.305 818 HG3 LYS 99 HG3 LYS 99 -4.790 24.342 13.464 819 HD2 LYS 99 HD2 LYS 99 -6.953 23.343 13.817 820 HD3 LYS 99 HD3 LYS 99 -7.751 24.913 13.976 821 HE2 LYS 99 HE2 LYS 99 -7.453 25.470 11.678 822 HE3 LYS 99 HE3 LYS 99 -6.317 24.146 11.414 823 HZ1 LYS 99 HZ1 LYS 99 -8.571 23.635 10.589 824 HZ2 LYS 99 HZ2 LYS 99 -8.109 22.569 11.735 825 HZ3 LYS 99 HZ3 LYS 99 -9.186 23.754 12.084 826 H VAL 100 H VAL 100 -4.794 27.858 17.160 827 HA VAL 100 HA VAL 100 -5.158 26.998 19.856 828 HB VAL 100 HB VAL 100 -4.039 29.323 18.399 829 HG11 VAL 100 HG11 VAL 100 -4.660 29.902 21.295 830 HG12 VAL 100 HG12 VAL 100 -3.635 30.857 20.196 831 HG13 VAL 100 HG13 VAL 100 -5.349 30.728 19.874 832 HG21 VAL 100 HG21 VAL 100 -2.171 28.868 20.072 833 HG22 VAL 100 HG22 VAL 100 -3.210 27.699 20.840 834 HG23 VAL 100 HG23 VAL 100 -2.681 27.434 19.171 835 H MET 101 H MET 101 -6.873 29.497 18.044 836 HA MET 101 HA MET 101 -8.775 30.192 20.037 837 HB2 MET 101 HB2 MET 101 -8.829 30.306 17.010 838 HB3 MET 101 HB3 MET 101 -10.080 31.029 18.018 839 HG2 MET 101 HG2 MET 101 -7.126 31.737 18.199 840 HG3 MET 101 HG3 MET 101 -8.288 32.607 17.213 841 HE1 MET 101 HE1 MET 101 -10.511 34.490 19.758 842 HE2 MET 101 HE2 MET 101 -10.084 34.231 18.054 843 HE3 MET 101 HE3 MET 101 -10.913 32.953 18.972 844 H GLU 102 H GLU 102 -8.455 27.175 18.562 845 HA GLU 102 HA GLU 102 -11.313 26.563 18.684 846 HB2 GLU 102 HB2 GLU 102 -10.067 25.780 16.719 847 HB3 GLU 102 HB3 GLU 102 -9.049 24.785 17.745 848 HG2 GLU 102 HG2 GLU 102 -10.781 23.472 16.627 849 HG3 GLU 102 HG3 GLU 102 -10.912 23.371 18.372 850 H TYR 103 H TYR 103 -8.885 24.174 19.765 851 HA TYR 103 HA TYR 103 -10.783 23.710 21.968 852 HB2 TYR 103 HB2 TYR 103 -9.986 21.892 20.348 853 HB3 TYR 103 HB3 TYR 103 -8.475 21.924 21.249 854 HD1 TYR 103 HD1 TYR 103 -8.234 20.692 23.268 855 HD2 TYR 103 HD2 TYR 103 -12.167 21.436 21.647 856 HE1 TYR 103 HE1 TYR 103 -9.213 19.117 24.919 857 HE2 TYR 103 HE2 TYR 103 -13.144 19.874 23.320 858 HH TYR 103 HH TYR 103 -12.725 18.454 25.048 859 H LEU 104 H LEU 104 -7.476 24.618 21.477 860 HA LEU 104 HA LEU 104 -6.506 24.557 24.163 861 HB2 LEU 104 HB2 LEU 104 -5.172 24.515 22.177 862 HB3 LEU 104 HB3 LEU 104 -5.845 26.011 21.592 863 HG LEU 104 HG LEU 104 -3.508 26.151 22.291 864 HD11 LEU 104 HD11 LEU 104 -5.253 28.102 22.499 865 HD12 LEU 104 HD12 LEU 104 -5.089 27.865 24.247 866 HD13 LEU 104 HD13 LEU 104 -3.663 28.253 23.262 867 HD21 LEU 104 HD21 LEU 104 -4.532 25.595 25.089 868 HD22 LEU 104 HD22 LEU 104 -3.425 24.625 24.082 869 HD23 LEU 104 HD23 LEU 104 -2.908 26.197 24.680 870 H LYS 105 H LYS 105 -8.349 27.026 22.331 871 HA LYS 105 HA LYS 105 -8.734 28.764 24.622 872 HB2 LYS 105 HB2 LYS 105 -9.412 28.731 21.790 873 HB3 LYS 105 HB3 LYS 105 -10.825 29.152 22.742 874 HG2 LYS 105 HG2 LYS 105 -9.629 31.129 22.019 875 HG3 LYS 105 HG3 LYS 105 -9.698 31.008 23.785 876 HD2 LYS 105 HD2 LYS 105 -7.353 30.290 23.877 877 HD3 LYS 105 HD3 LYS 105 -7.299 30.149 22.121 878 HE2 LYS 105 HE2 LYS 105 -6.157 32.195 22.858 879 HE3 LYS 105 HE3 LYS 105 -7.552 32.572 21.852 880 HZ1 LYS 105 HZ1 LYS 105 -7.510 32.766 24.819 881 HZ2 LYS 105 HZ2 LYS 105 -7.455 34.016 23.776 882 HZ3 LYS 105 HZ3 LYS 105 -8.797 33.110 23.875 883 H SER 106 H SER 106 -10.925 26.571 22.928 884 HA SER 106 HA SER 106 -13.071 26.873 24.741 885 HB2 SER 106 HB2 SER 106 -13.252 26.154 22.364 886 HB3 SER 106 HB3 SER 106 -12.670 24.548 22.842 887 HG SER 106 HG SER 106 -14.460 24.526 24.349 888 H SER 107 H SER 107 -10.301 25.183 25.486 889 HA SER 107 HA SER 107 -10.972 22.986 27.008 890 HB2 SER 107 HB2 SER 107 -8.680 23.949 26.651 891 HB3 SER 107 HB3 SER 107 -9.086 25.263 27.758 892 HG SER 107 HG SER 107 -8.559 22.588 28.298 893 H LYS 108 H LYS 108 -11.453 26.367 27.908 894 HA LYS 108 HA LYS 108 -12.213 27.485 29.754 895 HB2 LYS 108 HB2 LYS 108 -14.223 25.208 29.646 896 HB3 LYS 108 HB3 LYS 108 -14.437 26.691 30.584 897 HG2 LYS 108 HG2 LYS 108 -14.302 28.055 28.532 898 HG3 LYS 108 HG3 LYS 108 -14.117 26.588 27.555 899 HD2 LYS 108 HD2 LYS 108 -16.321 25.774 28.338 900 HD3 LYS 108 HD3 LYS 108 -16.513 27.244 29.327 901 HE2 LYS 108 HE2 LYS 108 -16.366 28.637 27.267 902 HE3 LYS 108 HE3 LYS 108 -16.176 27.174 26.288 903 HZ1 LYS 108 HZ1 LYS 108 -18.565 27.844 27.915 904 HZ2 LYS 108 HZ2 LYS 108 -18.470 27.922 26.288 905 HZ3 LYS 108 HZ3 LYS 108 -18.394 26.481 27.036 906 H SER 109 H SER 109 -10.324 25.051 30.384 907 HA SER 109 HA SER 109 -10.445 25.293 33.287 908 HB2 SER 109 HB2 SER 109 -10.606 22.812 33.558 909 HB3 SER 109 HB3 SER 109 -12.038 23.497 32.796 910 HG SER 109 HG SER 109 -11.260 22.837 30.772 911 H LEU 110 H LEU 110 -8.499 26.041 31.244 912 HA LEU 110 HA LEU 110 -6.175 24.364 31.612 913 HB2 LEU 110 HB2 LEU 110 -6.554 27.178 30.474 914 HB3 LEU 110 HB3 LEU 110 -4.965 26.466 30.702 915 HG LEU 110 HG LEU 110 -7.129 25.390 28.871 916 HD11 LEU 110 HD11 LEU 110 -5.528 25.954 27.118 917 HD12 LEU 110 HD12 LEU 110 -5.920 27.381 28.079 918 HD13 LEU 110 HD13 LEU 110 -4.369 26.555 28.329 919 HD21 LEU 110 HD21 LEU 110 -5.209 23.854 28.122 920 HD22 LEU 110 HD22 LEU 110 -4.417 24.260 29.664 921 HD23 LEU 110 HD23 LEU 110 -5.989 23.437 29.642 922 H ASP 111 H ASP 111 -4.309 24.841 32.633 923 HA ASP 111 HA ASP 111 -4.412 26.366 35.131 924 HB2 ASP 111 HB2 ASP 111 -2.152 24.841 33.789 925 HB3 ASP 111 HB3 ASP 111 -2.030 25.665 35.342 926 H LEU 112 H LEU 112 -3.253 28.257 35.469 927 HA LEU 112 HA LEU 112 -3.229 30.179 33.424 928 HB2 LEU 112 HB2 LEU 112 -1.598 30.013 35.994 929 HB3 LEU 112 HB3 LEU 112 -1.600 31.437 34.972 930 HG LEU 112 HG LEU 112 -4.180 30.291 36.108 931 HD11 LEU 112 HD11 LEU 112 -2.382 32.452 37.282 932 HD12 LEU 112 HD12 LEU 112 -3.996 31.997 37.881 933 HD13 LEU 112 HD13 LEU 112 -2.661 30.830 37.961 934 HD21 LEU 112 HD21 LEU 112 -5.006 32.593 35.724 935 HD22 LEU 112 HD22 LEU 112 -3.424 33.055 35.052 936 HD23 LEU 112 HD23 LEU 112 -4.444 31.863 34.216 937 H ASN 113 H ASN 113 -0.407 28.396 34.616 938 HA ASN 113 HA ASN 113 1.451 29.809 33.051 939 HB2 ASN 113 HB2 ASN 113 1.612 26.945 34.088 940 HB3 ASN 113 HB3 ASN 113 2.991 27.860 33.493 941 HD21 ASN 113 HD21 ASN 113 2.505 28.131 37.306 942 HD22 ASN 113 HD22 ASN 113 2.231 26.738 36.268 943 H THR 114 H THR 114 -0.551 27.021 32.151 944 HA THR 114 HA THR 114 0.758 26.351 29.682 945 HB THR 114 HB THR 114 -2.046 25.900 30.790 946 HG1 THR 114 HG1 THR 114 0.084 24.088 30.395 947 HG21 THR 114 HG21 THR 114 -2.281 25.773 28.464 948 HG22 THR 114 HG22 THR 114 -0.774 24.857 28.265 949 HG23 THR 114 HG23 THR 114 -2.178 24.093 29.053 950 H ARG 115 H ARG 115 -2.323 28.126 30.324 951 HA ARG 115 HA ARG 115 -2.595 29.104 27.645 952 HB2 ARG 115 HB2 ARG 115 -4.457 29.032 29.188 953 HB3 ARG 115 HB3 ARG 115 -3.691 30.215 30.260 954 HG2 ARG 115 HG2 ARG 115 -3.960 32.017 28.740 955 HG3 ARG 115 HG3 ARG 115 -4.159 30.952 27.339 956 HD2 ARG 115 HD2 ARG 115 -6.079 30.842 29.652 957 HD3 ARG 115 HD3 ARG 115 -6.273 32.060 28.363 958 HE ARG 115 HE ARG 115 -6.046 29.694 26.932 959 HH11 ARG 115 HH11 ARG 115 -8.323 30.947 29.282 960 HH12 ARG 115 HH12 ARG 115 -9.572 29.838 28.800 961 HH21 ARG 115 HH21 ARG 115 -7.663 28.117 26.528 962 HH22 ARG 115 HH22 ARG 115 -9.249 28.439 27.171 963 H ILE 116 H ILE 116 -1.168 30.699 30.466 964 HA ILE 116 HA ILE 116 -0.372 33.118 29.368 965 HB ILE 116 HB ILE 116 0.807 31.277 31.403 966 HG12 ILE 116 HG12 ILE 116 -0.077 34.208 31.420 967 HG13 ILE 116 HG13 ILE 116 -1.133 32.851 31.774 968 HG21 ILE 116 HG21 ILE 116 2.657 32.786 31.953 969 HG22 ILE 116 HG22 ILE 116 2.836 31.939 30.427 970 HG23 ILE 116 HG23 ILE 116 2.359 33.668 30.434 971 HD11 ILE 116 HD11 ILE 116 -0.480 33.774 33.880 972 HD12 ILE 116 HD12 ILE 116 0.364 32.219 33.710 973 HD13 ILE 116 HD13 ILE 116 1.236 33.745 33.451 974 H SER 117 H SER 117 1.166 29.986 28.861 975 HA SER 117 HA SER 117 3.464 30.993 27.442 976 HB2 SER 117 HB2 SER 117 2.200 28.233 27.238 977 HB3 SER 117 HB3 SER 117 3.809 28.696 26.675 978 HG SER 117 HG SER 117 2.864 28.676 29.367 979 H VAL 118 H VAL 118 0.182 30.465 26.520 980 HA VAL 118 HA VAL 118 0.591 30.446 23.588 981 HB VAL 118 HB VAL 118 -2.012 31.014 25.065 982 HG11 VAL 118 HG11 VAL 118 -3.088 30.352 23.098 983 HG12 VAL 118 HG12 VAL 118 -1.842 31.493 22.630 984 HG13 VAL 118 HG13 VAL 118 -1.565 29.758 22.361 985 HG21 VAL 118 HG21 VAL 118 -1.121 28.218 24.380 986 HG22 VAL 118 HG22 VAL 118 -1.092 28.941 26.009 987 HG23 VAL 118 HG23 VAL 118 -2.632 28.771 25.188 988 H ILE 119 H ILE 119 -0.954 32.501 26.007 989 HA ILE 119 HA ILE 119 -1.399 34.644 24.288 990 HB ILE 119 HB ILE 119 -2.487 33.632 26.487 991 HG12 ILE 119 HG12 ILE 119 -3.687 35.734 26.932 992 HG13 ILE 119 HG13 ILE 119 -2.594 36.574 25.813 993 HG21 ILE 119 HG21 ILE 119 -0.421 34.384 27.820 994 HG22 ILE 119 HG22 ILE 119 -1.254 35.938 27.925 995 HG23 ILE 119 HG23 ILE 119 -2.045 34.435 28.522 996 HD11 ILE 119 HD11 ILE 119 -4.811 35.884 24.806 997 HD12 ILE 119 HD12 ILE 119 -3.425 35.197 23.947 998 HD13 ILE 119 HD13 ILE 119 -4.355 34.187 25.072 999 H GLU 120 H GLU 120 1.460 34.036 26.191 1000 HA GLU 120 HA GLU 120 2.453 36.749 25.653 1001 HB2 GLU 120 HB2 GLU 120 3.544 34.449 27.279 1002 HB3 GLU 120 HB3 GLU 120 4.496 35.891 26.882 1003 HG2 GLU 120 HG2 GLU 120 2.694 37.338 27.807 1004 HG3 GLU 120 HG3 GLU 120 1.827 35.896 28.358 1005 H THR 121 H THR 121 3.261 33.410 24.521 1006 HA THR 121 HA THR 121 5.629 34.124 23.166 1007 HB THR 121 HB THR 121 4.750 31.811 23.485 1008 HG1 THR 121 HG1 THR 121 5.575 31.128 21.422 1009 HG21 THR 121 HG21 THR 121 3.206 30.790 22.031 1010 HG22 THR 121 HG22 THR 121 2.456 32.376 22.332 1011 HG23 THR 121 HG23 THR 121 3.321 32.085 20.820 1012 H ILE 122 H ILE 122 2.344 34.163 21.872 1013 HA ILE 122 HA ILE 122 2.683 35.346 19.371 1014 HB ILE 122 HB ILE 122 0.723 34.255 20.302 1015 HG12 ILE 122 HG12 ILE 122 0.337 35.650 18.342 1016 HG13 ILE 122 HG13 ILE 122 -1.053 35.427 19.381 1017 HG21 ILE 122 HG21 ILE 122 0.183 36.696 22.016 1018 HG22 ILE 122 HG22 ILE 122 -0.784 35.214 21.877 1019 HG23 ILE 122 HG23 ILE 122 0.836 35.138 22.567 1020 HD11 ILE 122 HD11 ILE 122 -1.030 37.686 18.499 1021 HD12 ILE 122 HD12 ILE 122 -0.798 37.755 20.248 1022 HD13 ILE 122 HD13 ILE 122 0.578 37.994 19.145 1023 H ARG 123 H ARG 123 2.466 37.019 22.542 1024 HA ARG 123 HA ARG 123 2.618 39.714 21.432 1025 HB2 ARG 123 HB2 ARG 123 3.022 38.598 24.258 1026 HB3 ARG 123 HB3 ARG 123 3.182 40.311 23.841 1027 HG2 ARG 123 HG2 ARG 123 0.867 40.399 23.049 1028 HG3 ARG 123 HG3 ARG 123 0.664 38.665 23.350 1029 HD2 ARG 123 HD2 ARG 123 1.099 39.029 25.765 1030 HD3 ARG 123 HD3 ARG 123 1.296 40.769 25.464 1031 HE ARG 123 HE ARG 123 -1.223 40.060 24.424 1032 HH11 ARG 123 HH11 ARG 123 0.219 40.116 27.629 1033 HH12 ARG 123 HH12 ARG 123 -1.333 40.304 28.399 1034 HH21 ARG 123 HH21 ARG 123 -3.134 40.321 25.493 1035 HH22 ARG 123 HH22 ARG 123 -3.157 40.427 27.231 1036 H VAL 124 H VAL 124 5.055 37.565 22.951 1037 HA VAL 124 HA VAL 124 7.244 39.352 22.700 1038 HB VAL 124 HB VAL 124 7.155 36.311 22.826 1039 HG11 VAL 124 HG11 VAL 124 9.554 38.167 23.134 1040 HG12 VAL 124 HG12 VAL 124 9.529 36.445 23.567 1041 HG13 VAL 124 HG13 VAL 124 9.330 36.918 21.883 1042 HG21 VAL 124 HG21 VAL 124 7.779 36.653 25.180 1043 HG22 VAL 124 HG22 VAL 124 7.783 38.420 24.947 1044 HG23 VAL 124 HG23 VAL 124 6.273 37.496 24.837 1045 H VAL 125 H VAL 125 6.251 36.711 20.441 1046 HA VAL 125 HA VAL 125 8.399 37.320 18.641 1047 HB VAL 125 HB VAL 125 7.170 35.115 18.970 1048 HG11 VAL 125 HG11 VAL 125 5.343 36.200 16.791 1049 HG12 VAL 125 HG12 VAL 125 5.363 34.567 17.507 1050 HG13 VAL 125 HG13 VAL 125 4.863 35.958 18.484 1051 HG21 VAL 125 HG21 VAL 125 8.944 35.439 17.308 1052 HG22 VAL 125 HG22 VAL 125 7.689 34.351 16.707 1053 HG23 VAL 125 HG23 VAL 125 7.755 36.031 16.125 1054 H THR 126 H THR 126 5.118 38.645 18.830 1055 HA THR 126 HA THR 126 5.379 40.011 16.226 1056 HB THR 126 HB THR 126 3.388 41.312 16.941 1057 HG1 THR 126 HG1 THR 126 3.145 39.425 19.017 1058 HG21 THR 126 HG21 THR 126 3.100 39.340 15.563 1059 HG22 THR 126 HG22 THR 126 3.108 38.283 16.992 1060 HG23 THR 126 HG23 THR 126 1.784 39.443 16.748 1061 H GLU 127 H GLU 127 5.846 40.984 19.685 1062 HA GLU 127 HA GLU 127 6.510 43.718 19.141 1063 HB2 GLU 127 HB2 GLU 127 7.279 41.762 21.333 1064 HB3 GLU 127 HB3 GLU 127 7.870 43.409 21.349 1065 HG2 GLU 127 HG2 GLU 127 4.885 42.820 21.145 1066 HG3 GLU 127 HG3 GLU 127 5.727 42.827 22.689 1067 H ASN 128 H ASN 128 8.420 40.801 18.750 1068 HA ASN 128 HA ASN 128 10.944 42.163 18.229 1069 HB2 ASN 128 HB2 ASN 128 9.888 39.342 18.038 1070 HB3 ASN 128 HB3 ASN 128 11.376 39.760 17.190 1071 HD21 ASN 128 HD21 ASN 128 11.490 39.488 21.240 1072 HD22 ASN 128 HD22 ASN 128 9.933 39.403 20.406 1073 H LYS 129 H LYS 129 8.131 42.102 16.359 1074 HA LYS 129 HA LYS 129 9.677 42.629 13.849 1075 HB2 LYS 129 HB2 LYS 129 8.382 40.453 13.905 1076 HB3 LYS 129 HB3 LYS 129 6.914 41.417 14.029 1077 HG2 LYS 129 HG2 LYS 129 7.170 40.804 11.741 1078 HG3 LYS 129 HG3 LYS 129 7.547 42.527 11.837 1079 HD2 LYS 129 HD2 LYS 129 9.976 41.993 11.781 1080 HD3 LYS 129 HD3 LYS 129 9.581 40.261 11.678 1081 HE2 LYS 129 HE2 LYS 129 8.369 40.673 9.544 1082 HE3 LYS 129 HE3 LYS 129 8.705 42.405 9.679 1083 HZ1 LYS 129 HZ1 LYS 129 11.071 41.907 9.491 1084 HZ2 LYS 129 HZ2 LYS 129 10.788 40.295 9.398 1085 HZ3 LYS 129 HZ3 LYS 129 10.283 41.291 8.207 1086 H ILE 130 H ILE 130 6.724 43.507 15.544 1087 HA ILE 130 HA ILE 130 6.635 46.109 14.167 1088 HB ILE 130 HB ILE 130 4.116 45.711 14.144 1089 HG12 ILE 130 HG12 ILE 130 4.916 42.799 14.666 1090 HG13 ILE 130 HG13 ILE 130 4.142 43.840 15.869 1091 HG21 ILE 130 HG21 ILE 130 5.738 43.680 12.602 1092 HG22 ILE 130 HG22 ILE 130 4.188 44.418 12.111 1093 HG23 ILE 130 HG23 ILE 130 5.651 45.412 12.173 1094 HD11 ILE 130 HD11 ILE 130 2.942 42.871 13.238 1095 HD12 ILE 130 HD12 ILE 130 2.453 42.438 14.882 1096 HD13 ILE 130 HD13 ILE 130 2.173 44.088 14.287 1097 H PHE 131 H PHE 131 5.573 47.838 15.189 1098 HA PHE 131 HA PHE 131 5.524 47.915 18.071 1099 HB2 PHE 131 HB2 PHE 131 4.655 50.174 17.764 1100 HB3 PHE 131 HB3 PHE 131 6.043 49.894 16.741 1101 HD1 PHE 131 HD1 PHE 131 2.335 50.284 16.774 1102 HD2 PHE 131 HD2 PHE 131 5.868 50.016 14.316 1103 HE1 PHE 131 HE1 PHE 131 1.019 51.010 14.800 1104 HE2 PHE 131 HE2 PHE 131 4.548 50.738 12.343 1105 HZ PHE 131 HZ PHE 131 2.121 51.231 12.577 1106 H VAL 132 H VAL 132 3.389 46.675 15.859 1107 HA VAL 132 HA VAL 132 1.317 46.079 15.576 1108 HB VAL 132 HB VAL 132 1.891 44.310 16.733 1109 HG11 VAL 132 HG11 VAL 132 3.141 45.216 18.571 1110 HG12 VAL 132 HG12 VAL 132 1.643 45.764 19.377 1111 HG13 VAL 132 HG13 VAL 132 1.985 44.027 19.181 1112 HG21 VAL 132 HG21 VAL 132 -0.001 43.477 17.991 1113 HG22 VAL 132 HG22 VAL 132 -0.627 45.121 18.210 1114 HG23 VAL 132 HG23 VAL 132 -0.545 44.393 16.584 1115 H GLU 133 H GLU 133 -0.771 46.349 15.462 1116 HA GLU 133 HA GLU 133 -1.579 49.044 15.856 1117 HB2 GLU 133 HB2 GLU 133 -2.864 46.568 14.665 1118 HB3 GLU 133 HB3 GLU 133 -3.776 48.062 14.788 1119 HG2 GLU 133 HG2 GLU 133 -1.117 47.779 13.337 1120 HG3 GLU 133 HG3 GLU 133 -2.711 47.727 12.590 1121 H VAL 134 H VAL 134 -3.781 49.650 16.477 1122 HA VAL 134 HA VAL 134 -4.921 48.380 18.858 1123 HB VAL 134 HB VAL 134 -4.597 51.322 18.778 1124 HG11 VAL 134 HG11 VAL 134 -4.895 49.333 21.079 1125 HG12 VAL 134 HG12 VAL 134 -4.895 51.104 21.218 1126 HG13 VAL 134 HG13 VAL 134 -6.226 50.285 20.407 1127 HG21 VAL 134 HG21 VAL 134 -2.266 50.599 18.751 1128 HG22 VAL 134 HG22 VAL 134 -2.698 51.162 20.367 1129 HG23 VAL 134 HG23 VAL 134 -2.596 49.418 20.047 1130 H GLU 135 H GLU 135 -6.461 50.885 18.646 1131 HA GLU 135 HA GLU 135 -8.599 49.845 16.904 1132 HB2 GLU 135 HB2 GLU 135 -8.766 51.882 19.146 1133 HB3 GLU 135 HB3 GLU 135 -10.141 51.307 18.183 1134 HG2 GLU 135 HG2 GLU 135 -9.645 48.965 18.909 1135 HG3 GLU 135 HG3 GLU 135 -8.412 49.594 20.004 1136 H ARG 136 H ARG 136 -6.474 51.158 15.602 1137 HA ARG 136 HA ARG 136 -7.322 53.863 14.802 1138 HB2 ARG 136 HB2 ARG 136 -5.103 52.137 13.626 1139 HB3 ARG 136 HB3 ARG 136 -5.394 53.855 13.332 1140 HG2 ARG 136 HG2 ARG 136 -5.140 54.128 15.917 1141 HG3 ARG 136 HG3 ARG 136 -4.390 52.529 15.866 1142 HD2 ARG 136 HD2 ARG 136 -3.513 55.052 14.403 1143 HD3 ARG 136 HD3 ARG 136 -2.699 54.301 15.780 1144 HE ARG 136 HE ARG 136 -2.619 52.270 13.964 1145 HH11 ARG 136 HH11 ARG 136 -1.159 51.916 12.326 1146 HH12 ARG 136 HH12 ARG 136 -0.207 53.256 11.710 1147 HH21 ARG 136 HH21 ARG 136 -1.623 55.634 13.689 1148 HH22 ARG 136 HH22 ARG 136 -0.450 55.258 12.447 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -6.183 21.725 -29.583 2 H2 MET 1 H2 MET 1 -5.902 23.328 -29.486 3 H3 MET 1 H3 MET 1 -4.672 22.300 -29.834 4 HA MET 1 HA MET 1 -4.825 21.283 -27.678 5 HB2 MET 1 HB2 MET 1 -3.218 23.103 -27.965 6 HB3 MET 1 HB3 MET 1 -4.462 24.309 -27.620 7 HG2 MET 1 HG2 MET 1 -2.987 23.914 -25.695 8 HG3 MET 1 HG3 MET 1 -4.660 23.540 -25.323 9 HE1 MET 1 HE1 MET 1 -4.033 22.274 -23.135 10 HE2 MET 1 HE2 MET 1 -2.784 21.021 -23.033 11 HE3 MET 1 HE3 MET 1 -2.329 22.694 -23.419 12 H SER 2 H SER 2 -5.877 20.947 -25.771 13 HA SER 2 HA SER 2 -8.671 21.292 -25.642 14 HB2 SER 2 HB2 SER 2 -6.731 20.749 -23.356 15 HB3 SER 2 HB3 SER 2 -8.474 20.400 -23.373 16 HG SER 2 HG SER 2 -7.249 18.559 -23.901 17 H ARG 3 H ARG 3 -10.044 22.494 -24.280 18 HA ARG 3 HA ARG 3 -9.316 25.278 -23.841 19 HB2 ARG 3 HB2 ARG 3 -11.737 23.711 -22.848 20 HB3 ARG 3 HB3 ARG 3 -11.581 25.465 -22.861 21 HG2 ARG 3 HG2 ARG 3 -11.763 23.662 -25.322 22 HG3 ARG 3 HG3 ARG 3 -13.012 24.709 -24.652 23 HD2 ARG 3 HD2 ARG 3 -12.215 25.942 -26.441 24 HD3 ARG 3 HD3 ARG 3 -11.413 26.676 -25.045 25 HE ARG 3 HE ARG 3 -9.904 24.558 -26.471 26 HH11 ARG 3 HH11 ARG 3 -10.443 28.025 -26.380 27 HH12 ARG 3 HH12 ARG 3 -8.928 28.350 -27.180 28 HH21 ARG 3 HH21 ARG 3 -7.986 25.065 -27.430 29 HH22 ARG 3 HH22 ARG 3 -7.611 26.740 -27.770 30 H ASP 4 H ASP 4 -9.150 22.502 -21.761 31 HA ASP 4 HA ASP 4 -7.795 24.126 -19.698 32 HB2 ASP 4 HB2 ASP 4 -8.954 22.948 -17.890 33 HB3 ASP 4 HB3 ASP 4 -9.975 24.047 -18.790 34 H ALA 5 H ALA 5 -6.244 23.126 -18.611 35 HA ALA 5 HA ALA 5 -5.762 20.229 -18.802 36 HB1 ALA 5 HB1 ALA 5 -4.544 21.070 -20.758 37 HB2 ALA 5 HB2 ALA 5 -3.722 22.292 -19.762 38 HB3 ALA 5 HB3 ALA 5 -3.404 20.563 -19.498 39 HA PRO 6 HA PRO 6 -5.405 22.602 -14.863 40 HB2 PRO 6 HB2 PRO 6 -6.702 20.185 -13.643 41 HB3 PRO 6 HB3 PRO 6 -7.099 21.917 -13.426 42 HG2 PRO 6 HG2 PRO 6 -8.655 20.312 -14.971 43 HG3 PRO 6 HG3 PRO 6 -8.265 21.984 -15.509 44 HD2 PRO 6 HD2 PRO 6 -6.874 19.396 -16.292 45 HD3 PRO 6 HD3 PRO 6 -7.533 20.683 -17.351 46 H ILE 7 H ILE 7 -4.114 22.296 -12.886 47 HA ILE 7 HA ILE 7 -2.070 20.245 -13.080 48 HB ILE 7 HB ILE 7 -2.448 22.439 -10.980 49 HG12 ILE 7 HG12 ILE 7 -0.249 23.175 -12.528 50 HG13 ILE 7 HG13 ILE 7 -1.336 22.514 -13.746 51 HG21 ILE 7 HG21 ILE 7 -1.012 20.663 -10.126 52 HG22 ILE 7 HG22 ILE 7 -0.020 20.707 -11.607 53 HG23 ILE 7 HG23 ILE 7 -0.043 22.081 -10.489 54 HD11 ILE 7 HD11 ILE 7 -3.120 24.092 -12.956 55 HD12 ILE 7 HD12 ILE 7 -1.977 24.733 -11.752 56 HD13 ILE 7 HD13 ILE 7 -1.647 24.931 -13.484 57 H LYS 8 H LYS 8 -1.873 18.468 -12.003 58 HA LYS 8 HA LYS 8 -4.187 17.694 -10.306 59 HB2 LYS 8 HB2 LYS 8 -2.446 16.018 -12.150 60 HB3 LYS 8 HB3 LYS 8 -3.817 15.414 -11.229 61 HG2 LYS 8 HG2 LYS 8 -3.883 17.465 -13.482 62 HG3 LYS 8 HG3 LYS 8 -4.501 15.823 -13.519 63 HD2 LYS 8 HD2 LYS 8 -5.659 18.170 -11.928 64 HD3 LYS 8 HD3 LYS 8 -6.362 17.359 -13.340 65 HE2 LYS 8 HE2 LYS 8 -6.400 15.234 -11.979 66 HE3 LYS 8 HE3 LYS 8 -5.863 16.192 -10.582 67 HZ1 LYS 8 HZ1 LYS 8 -7.925 17.494 -10.784 68 HZ2 LYS 8 HZ2 LYS 8 -8.400 16.619 -12.077 69 HZ3 LYS 8 HZ3 LYS 8 -8.284 15.917 -10.619 70 H ALA 9 H ALA 9 -1.144 18.479 -9.474 71 HA ALA 9 HA ALA 9 -0.887 16.398 -7.411 72 HB1 ALA 9 HB1 ALA 9 1.139 17.440 -8.255 73 HB2 ALA 9 HB2 ALA 9 0.563 19.036 -7.671 74 HB3 ALA 9 HB3 ALA 9 0.868 17.716 -6.507 75 H ASP 10 H ASP 10 -3.277 17.027 -7.243 76 HA ASP 10 HA ASP 10 -4.286 19.137 -5.634 77 HB2 ASP 10 HB2 ASP 10 -5.503 17.479 -7.133 78 HB3 ASP 10 HB3 ASP 10 -5.184 16.248 -5.901 79 H LYS 11 H LYS 11 -2.397 16.422 -4.812 80 HA LYS 11 HA LYS 11 -3.078 16.104 -2.019 81 HB2 LYS 11 HB2 LYS 11 -2.008 14.465 -3.754 82 HB3 LYS 11 HB3 LYS 11 -0.476 15.205 -3.290 83 HG2 LYS 11 HG2 LYS 11 -0.819 14.454 -0.953 84 HG3 LYS 11 HG3 LYS 11 -2.465 13.915 -1.352 85 HD2 LYS 11 HD2 LYS 11 -1.519 12.302 -3.019 86 HD3 LYS 11 HD3 LYS 11 0.117 12.754 -2.507 87 HE2 LYS 11 HE2 LYS 11 -0.349 11.913 -0.223 88 HE3 LYS 11 HE3 LYS 11 -2.029 11.594 -0.670 89 HZ1 LYS 11 HZ1 LYS 11 0.323 10.229 -1.874 90 HZ2 LYS 11 HZ2 LYS 11 -0.712 9.568 -0.801 91 HZ3 LYS 11 HZ3 LYS 11 -1.228 9.960 -2.287 92 H ASP 12 H ASP 12 -1.172 18.359 -3.704 93 HA ASP 12 HA ASP 12 0.138 20.092 -3.205 94 HB2 ASP 12 HB2 ASP 12 -2.109 20.407 -1.932 95 HB3 ASP 12 HB3 ASP 12 -1.148 20.205 -0.475 96 H TYR 13 H TYR 13 1.558 21.168 -1.129 97 HA TYR 13 HA TYR 13 3.809 19.463 -0.872 98 HB2 TYR 13 HB2 TYR 13 3.599 22.030 -0.708 99 HB3 TYR 13 HB3 TYR 13 3.216 21.790 0.982 100 HD1 TYR 13 HD1 TYR 13 5.760 21.127 -1.685 101 HD2 TYR 13 HD2 TYR 13 5.047 21.502 2.544 102 HE1 TYR 13 HE1 TYR 13 8.215 21.113 -1.267 103 HE2 TYR 13 HE2 TYR 13 7.498 21.471 2.968 104 HH TYR 13 HH TYR 13 9.855 21.209 0.292 105 H SER 14 H SER 14 0.929 19.551 1.113 106 HA SER 14 HA SER 14 1.769 18.092 3.394 107 HB2 SER 14 HB2 SER 14 -0.707 17.215 3.160 108 HB3 SER 14 HB3 SER 14 -0.400 18.910 3.530 109 HG SER 14 HG SER 14 -0.987 17.891 0.912 110 H GLN 15 H GLN 15 1.874 17.027 0.091 111 HA GLN 15 HA GLN 15 1.175 14.287 0.391 112 HB2 GLN 15 HB2 GLN 15 2.393 13.918 -1.648 113 HB3 GLN 15 HB3 GLN 15 1.534 15.449 -1.778 114 HG2 GLN 15 HG2 GLN 15 3.768 16.584 -1.091 115 HG3 GLN 15 HG3 GLN 15 4.516 15.004 -1.350 116 HE21 GLN 15 HE21 GLN 15 3.128 14.165 -3.747 117 HE22 GLN 15 HE22 GLN 15 3.598 15.300 -5.009 118 H ILE 16 H ILE 16 4.019 16.059 1.345 119 HA ILE 16 HA ILE 16 5.865 13.952 1.738 120 HB ILE 16 HB ILE 16 5.532 16.584 3.233 121 HG12 ILE 16 HG12 ILE 16 7.421 15.976 0.929 122 HG13 ILE 16 HG13 ILE 16 5.800 16.629 0.674 123 HG21 ILE 16 HG21 ILE 16 8.012 16.241 3.693 124 HG22 ILE 16 HG22 ILE 16 6.954 15.083 4.519 125 HG23 ILE 16 HG23 ILE 16 7.831 14.603 3.052 126 HD11 ILE 16 HD11 ILE 16 7.970 18.026 2.243 127 HD12 ILE 16 HD12 ILE 16 7.305 18.454 0.649 128 HD13 ILE 16 HD13 ILE 16 6.276 18.566 2.079 129 H LEU 17 H LEU 17 3.519 15.463 3.995 130 HA LEU 17 HA LEU 17 4.051 13.757 6.235 131 HB2 LEU 17 HB2 LEU 17 1.707 15.400 5.276 132 HB3 LEU 17 HB3 LEU 17 1.788 14.709 6.909 133 HG LEU 17 HG LEU 17 3.919 16.602 5.867 134 HD11 LEU 17 HD11 LEU 17 1.392 17.428 7.297 135 HD12 LEU 17 HD12 LEU 17 2.723 18.451 6.709 136 HD13 LEU 17 HD13 LEU 17 1.716 17.616 5.548 137 HD21 LEU 17 HD21 LEU 17 4.141 15.143 8.024 138 HD22 LEU 17 HD22 LEU 17 4.401 16.877 8.214 139 HD23 LEU 17 HD23 LEU 17 2.853 16.151 8.703 140 H LYS 18 H LYS 18 2.215 13.233 3.305 141 HA LYS 18 HA LYS 18 0.702 10.982 4.350 142 HB2 LYS 18 HB2 LYS 18 0.999 11.906 1.513 143 HB3 LYS 18 HB3 LYS 18 -0.171 10.726 2.111 144 HG2 LYS 18 HG2 LYS 18 -0.029 13.625 2.984 145 HG3 LYS 18 HG3 LYS 18 -1.132 13.024 1.753 146 HD2 LYS 18 HD2 LYS 18 -2.345 11.719 3.445 147 HD3 LYS 18 HD3 LYS 18 -1.145 12.144 4.686 148 HE2 LYS 18 HE2 LYS 18 -1.658 14.561 4.347 149 HE3 LYS 18 HE3 LYS 18 -2.909 14.129 3.180 150 HZ1 LYS 18 HZ1 LYS 18 -3.729 14.552 5.479 151 HZ2 LYS 18 HZ2 LYS 18 -4.143 13.063 4.926 152 HZ3 LYS 18 HZ3 LYS 18 -2.936 13.238 6.013 153 H GLU 19 H GLU 19 3.684 11.456 2.514 154 HA GLU 19 HA GLU 19 3.918 8.553 2.068 155 HB2 GLU 19 HB2 GLU 19 5.265 9.005 0.249 156 HB3 GLU 19 HB3 GLU 19 4.036 10.273 0.210 157 HG2 GLU 19 HG2 GLU 19 5.742 11.757 1.428 158 HG3 GLU 19 HG3 GLU 19 6.937 10.493 1.117 159 H GLU 20 H GLU 20 5.728 11.149 3.703 160 HA GLU 20 HA GLU 20 7.961 9.381 4.413 161 HB2 GLU 20 HB2 GLU 20 7.295 12.231 5.311 162 HB3 GLU 20 HB3 GLU 20 8.741 11.350 5.734 163 HG2 GLU 20 HG2 GLU 20 7.905 12.109 2.911 164 HG3 GLU 20 HG3 GLU 20 9.142 12.902 3.891 165 H PHE 21 H PHE 21 4.928 10.401 5.990 166 HA PHE 21 HA PHE 21 5.682 9.784 8.643 167 HB2 PHE 21 HB2 PHE 21 3.657 10.884 8.399 168 HB3 PHE 21 HB3 PHE 21 3.041 9.742 7.222 169 HD1 PHE 21 HD1 PHE 21 4.498 9.243 10.682 170 HD2 PHE 21 HD2 PHE 21 1.111 8.737 8.065 171 HE1 PHE 21 HE1 PHE 21 3.297 8.030 12.478 172 HE2 PHE 21 HE2 PHE 21 -0.085 7.510 9.860 173 HZ PHE 21 HZ PHE 21 0.999 7.159 12.072 174 HA PRO 22 HA PRO 22 4.813 5.121 7.903 175 HB2 PRO 22 HB2 PRO 22 5.313 4.994 4.950 176 HB3 PRO 22 HB3 PRO 22 4.252 3.970 5.979 177 HG2 PRO 22 HG2 PRO 22 3.193 5.940 4.405 178 HG3 PRO 22 HG3 PRO 22 2.585 5.691 6.082 179 HD2 PRO 22 HD2 PRO 22 4.567 7.724 5.072 180 HD3 PRO 22 HD3 PRO 22 3.187 7.927 6.187 181 H LYS 23 H LYS 23 7.248 6.927 5.899 182 HA LYS 23 HA LYS 23 9.279 4.893 6.063 183 HB2 LYS 23 HB2 LYS 23 9.589 7.911 5.740 184 HB3 LYS 23 HB3 LYS 23 10.860 6.732 5.493 185 HG2 LYS 23 HG2 LYS 23 8.278 6.808 3.886 186 HG3 LYS 23 HG3 LYS 23 9.790 7.563 3.391 187 HD2 LYS 23 HD2 LYS 23 10.897 5.320 3.423 188 HD3 LYS 23 HD3 LYS 23 9.329 4.575 3.826 189 HE2 LYS 23 HE2 LYS 23 8.354 5.519 1.738 190 HE3 LYS 23 HE3 LYS 23 9.917 6.246 1.336 191 HZ1 LYS 23 HZ1 LYS 23 9.605 4.138 0.192 192 HZ2 LYS 23 HZ2 LYS 23 10.852 3.994 1.227 193 HZ3 LYS 23 HZ3 LYS 23 9.408 3.330 1.586 194 H ILE 24 H ILE 24 8.462 7.634 8.153 195 HA ILE 24 HA ILE 24 10.501 6.778 10.114 196 HB ILE 24 HB ILE 24 10.867 8.867 9.888 197 HG12 ILE 24 HG12 ILE 24 10.369 8.522 12.300 198 HG13 ILE 24 HG13 ILE 24 10.430 10.145 11.712 199 HG21 ILE 24 HG21 ILE 24 9.388 9.692 8.320 200 HG22 ILE 24 HG22 ILE 24 7.967 9.477 9.372 201 HG23 ILE 24 HG23 ILE 24 9.161 10.760 9.702 202 HD11 ILE 24 HD11 ILE 24 8.200 8.718 12.990 203 HD12 ILE 24 HD12 ILE 24 8.591 10.454 12.918 204 HD13 ILE 24 HD13 ILE 24 7.699 9.689 11.600 205 H ASP 25 H ASP 25 7.111 6.147 9.734 206 HA ASP 25 HA ASP 25 6.499 5.632 12.443 207 HB2 ASP 25 HB2 ASP 25 4.946 5.491 10.505 208 HB3 ASP 25 HB3 ASP 25 5.752 4.011 9.975 209 H SER 26 H SER 26 8.466 3.769 10.166 210 HA SER 26 HA SER 26 9.082 1.476 11.754 211 HB2 SER 26 HB2 SER 26 9.581 1.746 9.327 212 HB3 SER 26 HB3 SER 26 10.791 2.978 9.734 213 HG SER 26 HG SER 26 10.817 0.210 10.359 214 H LEU 27 H LEU 27 10.395 4.816 11.908 215 HA LEU 27 HA LEU 27 12.494 4.091 13.790 216 HB2 LEU 27 HB2 LEU 27 13.109 5.871 12.404 217 HB3 LEU 27 HB3 LEU 27 11.530 6.626 12.486 218 HG LEU 27 HG LEU 27 11.900 7.217 14.860 219 HD11 LEU 27 HD11 LEU 27 14.226 7.085 15.760 220 HD12 LEU 27 HD12 LEU 27 13.635 5.466 15.411 221 HD13 LEU 27 HD13 LEU 27 14.762 6.246 14.291 222 HD21 LEU 27 HD21 LEU 27 13.529 9.023 14.422 223 HD22 LEU 27 HD22 LEU 27 14.073 8.207 12.945 224 HD23 LEU 27 HD23 LEU 27 12.424 8.849 13.067 225 H ALA 28 H ALA 28 9.366 5.863 13.915 226 HA ALA 28 HA ALA 28 9.265 6.293 16.661 227 HB1 ALA 28 HB1 ALA 28 6.915 5.693 14.809 228 HB2 ALA 28 HB2 ALA 28 6.846 6.595 16.339 229 HB3 ALA 28 HB3 ALA 28 7.715 7.272 14.951 230 H GLN 29 H GLN 29 8.563 3.277 15.015 231 HA GLN 29 HA GLN 29 7.546 1.870 17.319 232 HB2 GLN 29 HB2 GLN 29 8.726 1.000 14.667 233 HB3 GLN 29 HB3 GLN 29 8.242 -0.184 15.876 234 HG2 GLN 29 HG2 GLN 29 6.347 1.929 14.765 235 HG3 GLN 29 HG3 GLN 29 6.515 0.307 14.103 236 HE21 GLN 29 HE21 GLN 29 3.599 0.138 16.338 237 HE22 GLN 29 HE22 GLN 29 4.015 0.933 14.823 238 H ASN 30 H ASN 30 10.665 3.042 16.878 239 HA ASN 30 HA ASN 30 11.884 1.041 18.682 240 HB2 ASN 30 HB2 ASN 30 12.955 2.197 16.072 241 HB3 ASN 30 HB3 ASN 30 13.972 1.354 17.240 242 HD21 ASN 30 HD21 ASN 30 11.753 -0.863 14.729 243 HD22 ASN 30 HD22 ASN 30 11.767 0.888 14.578 244 H ASP 31 H ASP 31 12.115 4.394 17.468 245 HA ASP 31 HA ASP 31 12.813 5.352 20.138 246 HB2 ASP 31 HB2 ASP 31 15.038 4.846 19.175 247 HB3 ASP 31 HB3 ASP 31 14.681 5.867 17.781 248 H CYS 32 H CYS 32 10.551 6.022 19.678 249 HA CYS 32 HA CYS 32 9.887 7.964 17.733 250 HB2 CYS 32 HB2 CYS 32 7.952 8.439 19.307 251 HB3 CYS 32 HB3 CYS 32 8.145 6.735 18.884 252 HG CYS 32 HG CYS 32 9.078 5.860 21.033 253 H ASN 33 H ASN 33 11.786 8.404 20.589 254 HA ASN 33 HA ASN 33 11.419 11.196 21.054 255 HB2 ASN 33 HB2 ASN 33 14.014 9.669 21.421 256 HB3 ASN 33 HB3 ASN 33 13.455 11.078 22.307 257 HD21 ASN 33 HD21 ASN 33 12.477 7.392 23.614 258 HD22 ASN 33 HD22 ASN 33 13.531 7.646 22.214 259 H SER 34 H SER 34 13.191 9.426 18.590 260 HA SER 34 HA SER 34 14.383 11.891 17.424 261 HB2 SER 34 HB2 SER 34 14.522 8.963 16.657 262 HB3 SER 34 HB3 SER 34 15.317 10.283 15.768 263 HG SER 34 HG SER 34 15.943 9.079 18.206 264 H ALA 35 H ALA 35 11.699 9.602 16.852 265 HA ALA 35 HA ALA 35 11.026 10.372 14.197 266 HB1 ALA 35 HB1 ALA 35 8.715 9.549 14.918 267 HB2 ALA 35 HB2 ALA 35 10.017 8.396 15.271 268 HB3 ALA 35 HB3 ALA 35 9.286 9.460 16.532 269 H LEU 36 H LEU 36 10.089 11.878 17.306 270 HA LEU 36 HA LEU 36 8.335 13.781 16.140 271 HB2 LEU 36 HB2 LEU 36 8.231 14.750 18.308 272 HB3 LEU 36 HB3 LEU 36 8.449 13.026 18.514 273 HG LEU 36 HG LEU 36 11.036 13.734 18.724 274 HD11 LEU 36 HD11 LEU 36 11.267 15.851 19.948 275 HD12 LEU 36 HD12 LEU 36 10.587 16.176 18.350 276 HD13 LEU 36 HD13 LEU 36 9.533 16.178 19.777 277 HD21 LEU 36 HD21 LEU 36 8.968 14.106 20.925 278 HD22 LEU 36 HD22 LEU 36 9.680 12.562 20.429 279 HD23 LEU 36 HD23 LEU 36 10.709 13.805 21.167 280 H ASP 37 H ASP 37 11.790 13.767 16.431 281 HA ASP 37 HA ASP 37 12.183 16.504 15.417 282 HB2 ASP 37 HB2 ASP 37 14.116 14.215 15.923 283 HB3 ASP 37 HB3 ASP 37 14.596 15.783 15.308 284 H GLN 38 H GLN 38 10.948 13.902 13.906 285 HA GLN 38 HA GLN 38 11.933 14.920 11.311 286 HB2 GLN 38 HB2 GLN 38 10.716 12.216 11.870 287 HB3 GLN 38 HB3 GLN 38 11.287 12.822 10.305 288 HG2 GLN 38 HG2 GLN 38 13.575 13.155 11.636 289 HG3 GLN 38 HG3 GLN 38 12.869 11.988 12.756 290 HE21 GLN 38 HE21 GLN 38 14.909 9.982 10.457 291 HE22 GLN 38 HE22 GLN 38 15.126 11.076 11.815 292 H LEU 39 H LEU 39 8.824 13.472 12.645 293 HA LEU 39 HA LEU 39 7.332 14.710 10.554 294 HB2 LEU 39 HB2 LEU 39 6.281 14.008 13.322 295 HB3 LEU 39 HB3 LEU 39 5.323 14.298 11.869 296 HG LEU 39 HG LEU 39 7.142 11.974 12.455 297 HD11 LEU 39 HD11 LEU 39 5.149 10.650 12.341 298 HD12 LEU 39 HD12 LEU 39 4.816 12.008 13.412 299 HD13 LEU 39 HD13 LEU 39 4.186 12.026 11.757 300 HD21 LEU 39 HD21 LEU 39 6.393 11.061 10.238 301 HD22 LEU 39 HD22 LEU 39 5.669 12.636 9.854 302 HD23 LEU 39 HD23 LEU 39 7.431 12.475 10.062 303 H LEU 40 H LEU 40 8.058 16.123 13.818 304 HA LEU 40 HA LEU 40 6.286 18.391 13.137 305 HB2 LEU 40 HB2 LEU 40 7.979 18.160 15.615 306 HB3 LEU 40 HB3 LEU 40 6.696 19.290 15.279 307 HG LEU 40 HG LEU 40 5.403 17.981 16.569 308 HD11 LEU 40 HD11 LEU 40 5.364 15.886 14.386 309 HD12 LEU 40 HD12 LEU 40 4.153 16.214 15.621 310 HD13 LEU 40 HD13 LEU 40 4.443 17.390 14.328 311 HD21 LEU 40 HD21 LEU 40 7.482 16.747 17.255 312 HD22 LEU 40 HD22 LEU 40 5.950 15.908 17.410 313 HD23 LEU 40 HD23 LEU 40 7.031 15.519 16.046 314 H VAL 41 H VAL 41 9.424 17.609 12.333 315 HA VAL 41 HA VAL 41 10.464 20.334 12.163 316 HB VAL 41 HB VAL 41 11.408 17.690 11.087 317 HG11 VAL 41 HG11 VAL 41 13.520 18.859 10.395 318 HG12 VAL 41 HG12 VAL 41 12.134 19.314 9.407 319 HG13 VAL 41 HG13 VAL 41 12.719 20.419 10.675 320 HG21 VAL 41 HG21 VAL 41 13.323 18.199 12.653 321 HG22 VAL 41 HG22 VAL 41 12.503 19.687 13.142 322 HG23 VAL 41 HG23 VAL 41 11.769 18.105 13.500 323 H LEU 42 H LEU 42 8.648 18.103 10.131 324 HA LEU 42 HA LEU 42 8.615 19.659 7.737 325 HB2 LEU 42 HB2 LEU 42 6.463 17.974 9.029 326 HB3 LEU 42 HB3 LEU 42 6.334 18.623 7.407 327 HG LEU 42 HG LEU 42 8.531 16.681 8.290 328 HD11 LEU 42 HD11 LEU 42 6.039 16.102 6.611 329 HD12 LEU 42 HD12 LEU 42 7.365 14.966 6.907 330 HD13 LEU 42 HD13 LEU 42 6.374 15.514 8.257 331 HD21 LEU 42 HD21 LEU 42 7.640 17.751 5.553 332 HD22 LEU 42 HD22 LEU 42 9.185 18.107 6.367 333 HD23 LEU 42 HD23 LEU 42 8.869 16.471 5.812 334 H GLU 43 H GLU 43 6.387 19.816 10.553 335 HA GLU 43 HA GLU 43 4.974 22.186 9.863 336 HB2 GLU 43 HB2 GLU 43 4.276 21.027 11.737 337 HB3 GLU 43 HB3 GLU 43 5.821 21.039 12.524 338 HG2 GLU 43 HG2 GLU 43 4.169 23.551 11.985 339 HG3 GLU 43 HG3 GLU 43 3.891 22.574 13.392 340 H LYS 44 H LYS 44 8.091 21.899 11.521 341 HA LYS 44 HA LYS 44 8.515 24.656 12.025 342 HB2 LYS 44 HB2 LYS 44 9.703 22.671 13.046 343 HB3 LYS 44 HB3 LYS 44 10.645 22.521 11.562 344 HG2 LYS 44 HG2 LYS 44 11.590 24.774 11.882 345 HG3 LYS 44 HG3 LYS 44 10.604 25.012 13.330 346 HD2 LYS 44 HD2 LYS 44 12.759 22.869 13.007 347 HD3 LYS 44 HD3 LYS 44 12.997 24.448 13.768 348 HE2 LYS 44 HE2 LYS 44 11.223 23.905 15.447 349 HE3 LYS 44 HE3 LYS 44 11.062 22.290 14.739 350 HZ1 LYS 44 HZ1 LYS 44 13.408 21.894 15.323 351 HZ2 LYS 44 HZ2 LYS 44 13.522 23.378 15.987 352 HZ3 LYS 44 HZ3 LYS 44 12.540 22.271 16.653 353 H LYS 45 H LYS 45 9.551 22.734 9.242 354 HA LYS 45 HA LYS 45 10.757 24.977 7.805 355 HB2 LYS 45 HB2 LYS 45 11.399 22.595 7.432 356 HB3 LYS 45 HB3 LYS 45 9.760 22.200 6.940 357 HG2 LYS 45 HG2 LYS 45 11.196 22.355 5.003 358 HG3 LYS 45 HG3 LYS 45 9.985 23.632 4.929 359 HD2 LYS 45 HD2 LYS 45 11.650 25.288 5.719 360 HD3 LYS 45 HD3 LYS 45 12.873 24.022 5.871 361 HE2 LYS 45 HE2 LYS 45 11.478 24.818 3.267 362 HE3 LYS 45 HE3 LYS 45 13.046 25.440 3.793 363 HZ1 LYS 45 HZ1 LYS 45 12.478 22.585 3.219 364 HZ2 LYS 45 HZ2 LYS 45 13.326 23.598 2.271 365 HZ3 LYS 45 HZ3 LYS 45 13.916 23.174 3.723 366 H THR 46 H THR 46 7.580 23.336 7.551 367 HA THR 46 HA THR 46 6.686 24.784 5.279 368 HB THR 46 HB THR 46 4.399 24.057 5.978 369 HG1 THR 46 HG1 THR 46 5.827 22.567 7.869 370 HG21 THR 46 HG21 THR 46 5.501 22.675 4.468 371 HG22 THR 46 HG22 THR 46 6.698 22.104 5.647 372 HG23 THR 46 HG23 THR 46 5.010 21.583 5.796 373 H ARG 47 H ARG 47 5.996 25.582 8.759 374 HA ARG 47 HA ARG 47 4.413 27.874 7.933 375 HB2 ARG 47 HB2 ARG 47 4.269 26.768 10.228 376 HB3 ARG 47 HB3 ARG 47 5.737 27.616 10.698 377 HG2 ARG 47 HG2 ARG 47 3.491 29.208 9.452 378 HG3 ARG 47 HG3 ARG 47 3.269 28.598 11.083 379 HD2 ARG 47 HD2 ARG 47 5.159 29.812 11.922 380 HD3 ARG 47 HD3 ARG 47 5.706 30.261 10.318 381 HE ARG 47 HE ARG 47 3.513 31.475 11.855 382 HH11 ARG 47 HH11 ARG 47 4.890 31.282 8.585 383 HH12 ARG 47 HH12 ARG 47 4.094 32.766 8.134 384 HH21 ARG 47 HH21 ARG 47 2.575 33.321 11.133 385 HH22 ARG 47 HH22 ARG 47 2.845 33.852 9.499 386 H GLN 48 H GLN 48 7.857 27.490 8.484 387 HA GLN 48 HA GLN 48 8.463 30.312 8.381 388 HB2 GLN 48 HB2 GLN 48 10.170 27.797 8.229 389 HB3 GLN 48 HB3 GLN 48 10.844 29.427 8.183 390 HG2 GLN 48 HG2 GLN 48 9.116 28.343 10.450 391 HG3 GLN 48 HG3 GLN 48 10.874 28.414 10.468 392 HE21 GLN 48 HE21 GLN 48 9.458 31.403 12.281 393 HE22 GLN 48 HE22 GLN 48 9.233 29.670 12.462 394 H ALA 49 H ALA 49 8.570 27.674 5.985 395 HA ALA 49 HA ALA 49 9.690 29.295 3.889 396 HB1 ALA 49 HB1 ALA 49 8.465 26.504 3.923 397 HB2 ALA 49 HB2 ALA 49 9.479 27.182 2.628 398 HB3 ALA 49 HB3 ALA 49 10.170 26.894 4.238 399 H SER 50 H SER 50 6.582 29.340 5.054 400 HA SER 50 HA SER 50 4.510 29.739 4.313 401 HB2 SER 50 HB2 SER 50 5.733 30.903 1.791 402 HB3 SER 50 HB3 SER 50 4.089 31.164 2.400 403 HG SER 50 HG SER 50 4.913 32.241 4.165 404 H ASP 51 H ASP 51 5.641 27.197 3.830 405 HA ASP 51 HA ASP 51 3.963 26.097 1.612 406 HB2 ASP 51 HB2 ASP 51 6.254 24.833 3.154 407 HB3 ASP 51 HB3 ASP 51 5.243 24.012 1.962 408 H LEU 52 H LEU 52 3.034 27.252 4.064 409 HA LEU 52 HA LEU 52 2.590 25.465 6.091 410 HB2 LEU 52 HB2 LEU 52 1.082 26.983 7.013 411 HB3 LEU 52 HB3 LEU 52 2.481 27.840 6.347 412 HG LEU 52 HG LEU 52 -0.255 27.663 4.982 413 HD11 LEU 52 HD11 LEU 52 -0.603 29.961 5.828 414 HD12 LEU 52 HD12 LEU 52 -0.453 28.773 7.135 415 HD13 LEU 52 HD13 LEU 52 0.915 29.843 6.751 416 HD21 LEU 52 HD21 LEU 52 1.472 28.240 3.386 417 HD22 LEU 52 HD22 LEU 52 0.617 29.724 3.796 418 HD23 LEU 52 HD23 LEU 52 2.210 29.391 4.523 419 H ALA 53 H ALA 53 0.795 25.658 3.235 420 HA ALA 53 HA ALA 53 -1.637 24.326 3.902 421 HB1 ALA 53 HB1 ALA 53 0.128 23.972 1.443 422 HB2 ALA 53 HB2 ALA 53 -1.590 23.529 1.579 423 HB3 ALA 53 HB3 ALA 53 -1.115 25.235 1.668 424 H SER 54 H SER 54 1.649 23.128 3.832 425 HA SER 54 HA SER 54 0.846 20.317 4.397 426 HB2 SER 54 HB2 SER 54 2.775 20.774 2.947 427 HB3 SER 54 HB3 SER 54 3.575 21.617 4.259 428 HG SER 54 HG SER 54 4.011 19.260 3.787 429 H SER 55 H SER 55 2.419 23.073 6.084 430 HA SER 55 HA SER 55 2.835 22.099 8.633 431 HB2 SER 55 HB2 SER 55 3.119 24.526 7.775 432 HB3 SER 55 HB3 SER 55 1.442 24.763 8.256 433 HG SER 55 HG SER 55 3.710 24.156 9.793 434 H LYS 56 H LYS 56 -0.236 23.305 7.379 435 HA LYS 56 HA LYS 56 -1.786 23.018 9.754 436 HB2 LYS 56 HB2 LYS 56 -2.528 23.224 6.807 437 HB3 LYS 56 HB3 LYS 56 -3.744 23.167 8.094 438 HG2 LYS 56 HG2 LYS 56 -2.672 25.133 9.198 439 HG3 LYS 56 HG3 LYS 56 -1.532 25.264 7.864 440 HD2 LYS 56 HD2 LYS 56 -4.562 25.517 7.644 441 HD3 LYS 56 HD3 LYS 56 -3.411 26.860 7.688 442 HE2 LYS 56 HE2 LYS 56 -2.353 26.018 5.583 443 HE3 LYS 56 HE3 LYS 56 -3.541 24.702 5.529 444 HZ1 LYS 56 HZ1 LYS 56 -4.236 26.559 4.133 445 HZ2 LYS 56 HZ2 LYS 56 -5.298 26.372 5.350 446 HZ3 LYS 56 HZ3 LYS 56 -4.223 27.591 5.392 447 H GLU 57 H GLU 57 -0.863 20.509 7.537 448 HA GLU 57 HA GLU 57 -2.823 18.573 8.637 449 HB2 GLU 57 HB2 GLU 57 -0.552 18.377 6.638 450 HB3 GLU 57 HB3 GLU 57 -1.424 16.967 7.211 451 HG2 GLU 57 HG2 GLU 57 -2.763 19.349 5.847 452 HG3 GLU 57 HG3 GLU 57 -2.157 17.940 4.982 453 H VAL 58 H VAL 58 0.553 19.563 9.073 454 HA VAL 58 HA VAL 58 1.323 17.360 10.796 455 HB VAL 58 HB VAL 58 2.510 20.025 11.272 456 HG11 VAL 58 HG11 VAL 58 3.271 17.913 12.410 457 HG12 VAL 58 HG12 VAL 58 3.784 17.291 10.833 458 HG13 VAL 58 HG13 VAL 58 4.559 18.727 11.510 459 HG21 VAL 58 HG21 VAL 58 3.271 18.521 8.798 460 HG22 VAL 58 HG22 VAL 58 2.389 20.024 8.800 461 HG23 VAL 58 HG23 VAL 58 4.036 19.976 9.413 462 H LEU 59 H LEU 59 0.140 20.679 11.494 463 HA LEU 59 HA LEU 59 0.324 20.714 14.222 464 HB2 LEU 59 HB2 LEU 59 -1.458 21.994 12.215 465 HB3 LEU 59 HB3 LEU 59 -1.938 22.091 13.914 466 HG LEU 59 HG LEU 59 0.428 22.887 14.411 467 HD11 LEU 59 HD11 LEU 59 0.410 23.536 11.453 468 HD12 LEU 59 HD12 LEU 59 1.623 24.053 12.622 469 HD13 LEU 59 HD13 LEU 59 1.481 22.342 12.249 470 HD21 LEU 59 HD21 LEU 59 -1.436 24.623 12.733 471 HD22 LEU 59 HD22 LEU 59 -1.560 24.350 14.486 472 HD23 LEU 59 HD23 LEU 59 -0.183 25.237 13.828 473 H ALA 60 H ALA 60 -2.149 18.976 12.426 474 HA ALA 60 HA ALA 60 -3.698 18.326 14.749 475 HB1 ALA 60 HB1 ALA 60 -3.612 17.132 11.933 476 HB2 ALA 60 HB2 ALA 60 -4.908 16.844 13.114 477 HB3 ALA 60 HB3 ALA 60 -4.654 18.475 12.464 478 H LYS 61 H LYS 61 -0.732 17.050 13.805 479 HA LYS 61 HA LYS 61 -1.106 15.006 15.865 480 HB2 LYS 61 HB2 LYS 61 -0.457 13.287 14.780 481 HB3 LYS 61 HB3 LYS 61 -1.007 14.214 13.392 482 HG2 LYS 61 HG2 LYS 61 1.909 13.931 14.240 483 HG3 LYS 61 HG3 LYS 61 1.095 12.880 13.100 484 HD2 LYS 61 HD2 LYS 61 1.610 15.819 12.737 485 HD3 LYS 61 HD3 LYS 61 2.443 14.508 11.917 486 HE2 LYS 61 HE2 LYS 61 -0.518 15.209 11.641 487 HE3 LYS 61 HE3 LYS 61 0.730 15.598 10.469 488 HZ1 LYS 61 HZ1 LYS 61 -0.493 13.609 9.819 489 HZ2 LYS 61 HZ2 LYS 61 1.054 13.187 10.108 490 HZ3 LYS 61 HZ3 LYS 61 -0.118 12.831 11.187 491 H ILE 62 H ILE 62 0.253 17.755 15.303 492 HA ILE 62 HA ILE 62 2.788 17.674 16.523 493 HB ILE 62 HB ILE 62 0.907 19.532 15.691 494 HG12 ILE 62 HG12 ILE 62 2.752 21.228 16.237 495 HG13 ILE 62 HG13 ILE 62 3.689 19.799 16.712 496 HG21 ILE 62 HG21 ILE 62 -0.164 19.729 17.792 497 HG22 ILE 62 HG22 ILE 62 1.377 20.222 18.571 498 HG23 ILE 62 HG23 ILE 62 0.606 21.228 17.320 499 HD11 ILE 62 HD11 ILE 62 4.214 20.049 14.443 500 HD12 ILE 62 HD12 ILE 62 2.831 18.924 14.349 501 HD13 ILE 62 HD13 ILE 62 2.596 20.656 14.036 502 H VAL 63 H VAL 63 -0.445 17.380 18.005 503 HA VAL 63 HA VAL 63 0.471 17.358 20.764 504 HB VAL 63 HB VAL 63 -1.826 15.560 20.058 505 HG11 VAL 63 HG11 VAL 63 -1.289 17.699 22.153 506 HG12 VAL 63 HG12 VAL 63 -2.774 16.714 22.041 507 HG13 VAL 63 HG13 VAL 63 -1.209 15.930 22.362 508 HG21 VAL 63 HG21 VAL 63 -1.974 18.529 19.759 509 HG22 VAL 63 HG22 VAL 63 -2.240 17.279 18.495 510 HG23 VAL 63 HG23 VAL 63 -3.362 17.419 19.861 511 H ASP 64 H ASP 64 -0.234 14.908 18.476 512 HA ASP 64 HA ASP 64 0.175 12.669 20.059 513 HB2 ASP 64 HB2 ASP 64 0.327 12.798 17.019 514 HB3 ASP 64 HB3 ASP 64 0.083 11.333 17.954 515 H LEU 65 H LEU 65 2.608 14.502 18.505 516 HA LEU 65 HA LEU 65 4.605 12.432 19.359 517 HB2 LEU 65 HB2 LEU 65 4.652 14.120 16.879 518 HB3 LEU 65 HB3 LEU 65 6.141 13.598 17.670 519 HG LEU 65 HG LEU 65 5.102 11.178 17.562 520 HD11 LEU 65 HD11 LEU 65 2.900 11.809 16.718 521 HD12 LEU 65 HD12 LEU 65 3.621 12.634 15.328 522 HD13 LEU 65 HD13 LEU 65 3.758 10.864 15.496 523 HD21 LEU 65 HD21 LEU 65 6.301 12.663 15.216 524 HD22 LEU 65 HD22 LEU 65 7.137 11.765 16.498 525 HD23 LEU 65 HD23 LEU 65 6.144 10.891 15.331 526 H LEU 66 H LEU 66 3.999 16.050 19.403 527 HA LEU 66 HA LEU 66 6.299 16.320 21.184 528 HB2 LEU 66 HB2 LEU 66 4.009 18.213 20.681 529 HB3 LEU 66 HB3 LEU 66 5.408 18.599 21.653 530 HG LEU 66 HG LEU 66 5.590 17.850 18.731 531 HD11 LEU 66 HD11 LEU 66 5.764 20.308 18.351 532 HD12 LEU 66 HD12 LEU 66 4.186 19.782 18.962 533 HD13 LEU 66 HD13 LEU 66 5.327 20.569 20.064 534 HD21 LEU 66 HD21 LEU 66 7.714 17.637 19.976 535 HD22 LEU 66 HD22 LEU 66 7.770 19.015 18.865 536 HD23 LEU 66 HD23 LEU 66 7.519 19.286 20.601 537 H ALA 67 H ALA 67 2.840 17.038 21.989 538 HA ALA 67 HA ALA 67 3.209 17.043 24.775 539 HB1 ALA 67 HB1 ALA 67 1.232 17.918 23.589 540 HB2 ALA 67 HB2 ALA 67 0.772 16.281 23.113 541 HB3 ALA 67 HB3 ALA 67 0.723 16.743 24.823 542 H SER 68 H SER 68 2.662 14.254 22.728 543 HA SER 68 HA SER 68 2.101 12.355 24.809 544 HB2 SER 68 HB2 SER 68 2.239 10.710 23.052 545 HB3 SER 68 HB3 SER 68 1.459 12.158 22.383 546 HG SER 68 HG SER 68 3.022 11.633 20.934 547 H ARG 69 H ARG 69 5.129 13.591 23.526 548 HA ARG 69 HA ARG 69 6.751 11.459 24.893 549 HB2 ARG 69 HB2 ARG 69 7.551 13.324 22.634 550 HB3 ARG 69 HB3 ARG 69 8.545 12.043 23.314 551 HG2 ARG 69 HG2 ARG 69 5.978 11.613 21.735 552 HG3 ARG 69 HG3 ARG 69 7.608 11.477 21.121 553 HD2 ARG 69 HD2 ARG 69 6.854 9.281 21.489 554 HD3 ARG 69 HD3 ARG 69 8.054 9.625 22.753 555 HE ARG 69 HE ARG 69 5.455 10.229 23.758 556 HH11 ARG 69 HH11 ARG 69 7.195 7.304 22.866 557 HH12 ARG 69 HH12 ARG 69 6.313 6.360 24.046 558 HH21 ARG 69 HH21 ARG 69 4.478 9.005 25.231 559 HH22 ARG 69 HH22 ARG 69 4.817 7.287 25.341 560 H ASN 70 H ASN 70 5.535 13.646 26.233 561 HA ASN 70 HA ASN 70 5.856 15.277 27.662 562 HB2 ASN 70 HB2 ASN 70 8.555 13.967 28.076 563 HB3 ASN 70 HB3 ASN 70 7.902 15.207 29.134 564 HD21 ASN 70 HD21 ASN 70 6.870 11.544 30.024 565 HD22 ASN 70 HD22 ASN 70 8.330 12.015 29.168 566 H LYS 71 H LYS 71 6.660 15.921 24.823 567 HA LYS 71 HA LYS 71 8.022 18.461 25.426 568 HB2 LYS 71 HB2 LYS 71 7.337 17.410 22.676 569 HB3 LYS 71 HB3 LYS 71 8.340 18.792 23.063 570 HG2 LYS 71 HG2 LYS 71 8.994 15.860 23.567 571 HG3 LYS 71 HG3 LYS 71 9.670 16.907 22.322 572 HD2 LYS 71 HD2 LYS 71 10.702 18.346 24.060 573 HD3 LYS 71 HD3 LYS 71 10.066 17.270 25.325 574 HE2 LYS 71 HE2 LYS 71 11.326 15.365 24.354 575 HE3 LYS 71 HE3 LYS 71 11.964 16.424 23.087 576 HZ1 LYS 71 HZ1 LYS 71 13.061 17.726 24.823 577 HZ2 LYS 71 HZ2 LYS 71 12.480 16.749 25.994 578 HZ3 LYS 71 HZ3 LYS 71 13.538 16.173 24.904 579 H TRP 72 H TRP 72 5.329 17.763 26.258 580 HA TRP 72 HA TRP 72 3.332 19.343 25.071 581 HB2 TRP 72 HB2 TRP 72 2.732 19.709 27.659 582 HB3 TRP 72 HB3 TRP 72 2.474 18.205 26.809 583 HD1 TRP 72 HD1 TRP 72 3.150 16.171 27.996 584 HE1 TRP 72 HE1 TRP 72 4.732 15.498 29.883 585 HE3 TRP 72 HE3 TRP 72 5.325 20.740 28.924 586 HZ2 TRP 72 HZ2 TRP 72 6.732 16.747 31.539 587 HZ3 TRP 72 HZ3 TRP 72 7.113 20.943 30.623 588 HH2 TRP 72 HH2 TRP 72 7.817 18.959 31.948 589 H ASP 73 H ASP 73 6.194 20.511 26.727 590 HA ASP 73 HA ASP 73 5.454 23.197 27.222 591 HB2 ASP 73 HB2 ASP 73 7.526 21.930 27.941 592 HB3 ASP 73 HB3 ASP 73 8.121 22.048 26.285 593 H ASP 74 H ASP 74 6.227 21.568 24.165 594 HA ASP 74 HA ASP 74 6.603 24.049 22.706 595 HB2 ASP 74 HB2 ASP 74 6.577 21.149 21.845 596 HB3 ASP 74 HB3 ASP 74 6.886 22.506 20.760 597 H LEU 75 H LEU 75 3.814 21.940 23.281 598 HA LEU 75 HA LEU 75 2.180 22.499 21.035 599 HB2 LEU 75 HB2 LEU 75 1.800 21.541 23.777 600 HB3 LEU 75 HB3 LEU 75 0.421 22.403 23.085 601 HG LEU 75 HG LEU 75 0.467 19.919 22.888 602 HD11 LEU 75 HD11 LEU 75 -0.398 19.870 20.526 603 HD12 LEU 75 HD12 LEU 75 -1.116 21.053 21.616 604 HD13 LEU 75 HD13 LEU 75 0.068 21.577 20.390 605 HD21 LEU 75 HD21 LEU 75 2.856 19.676 22.288 606 HD22 LEU 75 HD22 LEU 75 1.782 18.837 21.161 607 HD23 LEU 75 HD23 LEU 75 2.511 20.368 20.687 608 H ASN 76 H ASN 76 2.677 24.437 23.900 609 HA ASN 76 HA ASN 76 1.018 26.663 23.463 610 HB2 ASN 76 HB2 ASN 76 2.216 26.515 25.497 611 HB3 ASN 76 HB3 ASN 76 3.732 26.149 24.686 612 HD21 ASN 76 HD21 ASN 76 4.793 29.423 25.203 613 HD22 ASN 76 HD22 ASN 76 5.121 27.705 25.374 614 H GLU 77 H GLU 77 4.245 26.093 22.014 615 HA GLU 77 HA GLU 77 4.141 28.499 20.415 616 HB2 GLU 77 HB2 GLU 77 6.289 27.347 21.189 617 HB3 GLU 77 HB3 GLU 77 5.961 26.128 19.973 618 HG2 GLU 77 HG2 GLU 77 7.472 27.644 18.959 619 HG3 GLU 77 HG3 GLU 77 5.925 28.000 18.207 620 H GLN 78 H GLN 78 3.318 25.059 19.928 621 HA GLN 78 HA GLN 78 2.981 25.154 17.097 622 HB2 GLN 78 HB2 GLN 78 1.427 23.325 18.945 623 HB3 GLN 78 HB3 GLN 78 1.800 23.130 17.235 624 HG2 GLN 78 HG2 GLN 78 3.613 22.773 19.597 625 HG3 GLN 78 HG3 GLN 78 3.269 21.676 18.329 626 HE21 GLN 78 HE21 GLN 78 6.510 24.014 18.057 627 HE22 GLN 78 HE22 GLN 78 5.521 23.895 19.517 628 H LEU 79 H LEU 79 0.710 25.847 19.709 629 HA LEU 79 HA LEU 79 -1.519 26.575 18.059 630 HB2 LEU 79 HB2 LEU 79 -0.757 26.515 20.905 631 HB3 LEU 79 HB3 LEU 79 -1.558 28.020 20.558 632 HG LEU 79 HG LEU 79 -3.105 26.248 21.282 633 HD11 LEU 79 HD11 LEU 79 -4.796 26.697 19.599 634 HD12 LEU 79 HD12 LEU 79 -3.790 28.132 19.799 635 HD13 LEU 79 HD13 LEU 79 -3.587 27.083 18.382 636 HD21 LEU 79 HD21 LEU 79 -2.639 24.824 18.629 637 HD22 LEU 79 HD22 LEU 79 -1.812 24.362 20.120 638 HD23 LEU 79 HD23 LEU 79 -3.586 24.282 20.013 639 H THR 80 H THR 80 1.271 28.377 19.227 640 HA THR 80 HA THR 80 0.336 31.026 18.594 641 HB THR 80 HB THR 80 2.968 29.714 19.216 642 HG1 THR 80 HG1 THR 80 1.790 29.972 20.945 643 HG21 THR 80 HG21 THR 80 3.662 31.376 17.753 644 HG22 THR 80 HG22 THR 80 2.543 32.590 18.454 645 HG23 THR 80 HG23 THR 80 3.944 31.988 19.397 646 H LEU 81 H LEU 81 2.235 28.625 16.734 647 HA LEU 81 HA LEU 81 3.624 29.785 14.796 648 HB2 LEU 81 HB2 LEU 81 1.486 27.757 14.175 649 HB3 LEU 81 HB3 LEU 81 2.945 28.098 13.226 650 HG LEU 81 HG LEU 81 2.815 26.929 15.991 651 HD11 LEU 81 HD11 LEU 81 3.581 24.864 14.865 652 HD12 LEU 81 HD12 LEU 81 1.998 25.426 14.339 653 HD13 LEU 81 HD13 LEU 81 3.417 25.697 13.305 654 HD21 LEU 81 HD21 LEU 81 4.853 28.217 15.822 655 HD22 LEU 81 HD22 LEU 81 5.228 26.493 15.728 656 HD23 LEU 81 HD23 LEU 81 5.221 27.470 14.236 657 H LEU 82 H LEU 82 0.228 29.270 13.903 658 HA LEU 82 HA LEU 82 0.528 31.372 11.857 659 HB2 LEU 82 HB2 LEU 82 -1.755 29.441 12.413 660 HB3 LEU 82 HB3 LEU 82 -1.676 30.524 11.021 661 HG LEU 82 HG LEU 82 0.351 28.336 11.643 662 HD11 LEU 82 HD11 LEU 82 -1.851 27.386 11.126 663 HD12 LEU 82 HD12 LEU 82 -1.932 28.350 9.632 664 HD13 LEU 82 HD13 LEU 82 -0.703 27.078 9.816 665 HD21 LEU 82 HD21 LEU 82 -0.080 30.058 9.164 666 HD22 LEU 82 HD22 LEU 82 1.320 30.116 10.249 667 HD23 LEU 82 HD23 LEU 82 1.033 28.675 9.267 668 H SER 83 H SER 83 -0.369 31.427 14.984 669 HA SER 83 HA SER 83 -2.264 33.700 14.838 670 HB2 SER 83 HB2 SER 83 -2.443 31.938 16.635 671 HB3 SER 83 HB3 SER 83 -0.898 32.517 17.283 672 HG SER 83 HG SER 83 -1.898 34.620 17.407 673 H LYS 84 H LYS 84 1.138 33.220 14.693 674 HA LYS 84 HA LYS 84 2.196 35.559 15.911 675 HB2 LYS 84 HB2 LYS 84 3.083 34.058 13.412 676 HB3 LYS 84 HB3 LYS 84 4.030 35.322 14.198 677 HG2 LYS 84 HG2 LYS 84 4.192 33.973 16.255 678 HG3 LYS 84 HG3 LYS 84 3.207 32.700 15.522 679 HD2 LYS 84 HD2 LYS 84 4.884 32.399 13.725 680 HD3 LYS 84 HD3 LYS 84 5.923 33.608 14.478 681 HE2 LYS 84 HE2 LYS 84 4.956 31.078 15.917 682 HE3 LYS 84 HE3 LYS 84 6.425 31.114 14.948 683 HZ1 LYS 84 HZ1 LYS 84 6.819 31.535 17.355 684 HZ2 LYS 84 HZ2 LYS 84 7.388 32.731 16.400 685 HZ3 LYS 84 HZ3 LYS 84 6.017 32.949 17.259 686 H LYS 85 H LYS 85 1.441 37.494 15.642 687 HA LYS 85 HA LYS 85 0.595 39.444 14.924 688 HB2 LYS 85 HB2 LYS 85 1.782 38.776 12.207 689 HB3 LYS 85 HB3 LYS 85 1.163 40.348 12.723 690 HG2 LYS 85 HG2 LYS 85 2.866 40.439 14.529 691 HG3 LYS 85 HG3 LYS 85 3.532 38.888 13.975 692 HD2 LYS 85 HD2 LYS 85 3.971 39.889 11.738 693 HD3 LYS 85 HD3 LYS 85 3.387 41.451 12.312 694 HE2 LYS 85 HE2 LYS 85 5.741 39.899 13.499 695 HE3 LYS 85 HE3 LYS 85 5.896 41.179 12.292 696 HZ1 LYS 85 HZ1 LYS 85 4.785 41.558 15.019 697 HZ2 LYS 85 HZ2 LYS 85 6.250 42.036 14.512 698 HZ3 LYS 85 HZ3 LYS 85 4.920 42.731 13.887 699 H HIS 86 H HIS 86 -0.251 36.939 12.623 700 HA HIS 86 HA HIS 86 -2.024 36.302 11.490 701 HB2 HIS 86 HB2 HIS 86 -3.986 35.882 12.698 702 HB3 HIS 86 HB3 HIS 86 -2.616 35.738 13.790 703 HD2 HIS 86 HD2 HIS 86 -2.732 37.114 16.012 704 HE1 HIS 86 HE1 HIS 86 -6.018 39.663 15.085 705 HE2 HIS 86 HE2 HIS 86 -4.376 38.976 16.903 706 H GLY 87 H GLY 87 -2.732 39.641 12.454 707 HA2 GLY 87 HA2 GLY 87 -3.468 41.394 11.159 708 HA3 GLY 87 HA3 GLY 87 -3.298 40.376 9.734 709 H GLN 88 H GLN 88 -5.494 39.104 12.112 710 HA GLN 88 HA GLN 88 -7.852 40.447 10.967 711 HB2 GLN 88 HB2 GLN 88 -7.354 38.633 9.364 712 HB3 GLN 88 HB3 GLN 88 -7.457 37.458 10.662 713 HG2 GLN 88 HG2 GLN 88 -9.497 37.379 9.437 714 HG3 GLN 88 HG3 GLN 88 -9.886 38.105 10.985 715 HE21 GLN 88 HE21 GLN 88 -11.726 40.155 8.564 716 HE22 GLN 88 HE22 GLN 88 -11.835 38.571 9.324 717 H LEU 89 H LEU 89 -7.929 37.332 12.651 718 HA LEU 89 HA LEU 89 -8.428 38.446 15.268 719 HB2 LEU 89 HB2 LEU 89 -10.774 37.876 15.514 720 HB3 LEU 89 HB3 LEU 89 -10.567 39.002 14.198 721 HG LEU 89 HG LEU 89 -10.536 36.644 12.771 722 HD11 LEU 89 HD11 LEU 89 -11.012 35.271 14.810 723 HD12 LEU 89 HD12 LEU 89 -12.479 36.220 15.086 724 HD13 LEU 89 HD13 LEU 89 -12.325 35.198 13.642 725 HD21 LEU 89 HD21 LEU 89 -12.886 37.104 12.242 726 HD22 LEU 89 HD22 LEU 89 -13.020 38.161 13.662 727 HD23 LEU 89 HD23 LEU 89 -11.963 38.610 12.308 728 H LYS 90 H LYS 90 -8.289 36.930 16.888 729 HA LYS 90 HA LYS 90 -6.877 34.534 16.273 730 HB2 LYS 90 HB2 LYS 90 -6.711 35.795 18.417 731 HB3 LYS 90 HB3 LYS 90 -8.365 35.307 18.828 732 HG2 LYS 90 HG2 LYS 90 -6.645 34.104 20.050 733 HG3 LYS 90 HG3 LYS 90 -7.713 33.023 19.149 734 HD2 LYS 90 HD2 LYS 90 -6.014 32.406 17.637 735 HD3 LYS 90 HD3 LYS 90 -5.112 33.903 17.901 736 HE2 LYS 90 HE2 LYS 90 -3.741 32.473 19.059 737 HE3 LYS 90 HE3 LYS 90 -4.801 33.042 20.348 738 HZ1 LYS 90 HZ1 LYS 90 -6.128 30.952 20.047 739 HZ2 LYS 90 HZ2 LYS 90 -5.013 30.428 18.958 740 HZ3 LYS 90 HZ3 LYS 90 -4.584 30.678 20.509 741 H LEU 91 H LEU 91 -10.375 34.930 17.039 742 HA LEU 91 HA LEU 91 -10.964 32.288 17.433 743 HB2 LEU 91 HB2 LEU 91 -12.403 34.235 17.892 744 HB3 LEU 91 HB3 LEU 91 -12.799 34.285 16.172 745 HG LEU 91 HG LEU 91 -13.919 32.147 16.283 746 HD11 LEU 91 HD11 LEU 91 -13.131 32.123 19.232 747 HD12 LEU 91 HD12 LEU 91 -14.340 31.046 18.494 748 HD13 LEU 91 HD13 LEU 91 -12.657 30.935 17.986 749 HD21 LEU 91 HD21 LEU 91 -15.170 34.195 16.833 750 HD22 LEU 91 HD22 LEU 91 -15.798 32.788 17.704 751 HD23 LEU 91 HD23 LEU 91 -14.780 33.979 18.552 752 H SER 92 H SER 92 -9.954 33.501 14.498 753 HA SER 92 HA SER 92 -11.215 31.509 12.729 754 HB2 SER 92 HB2 SER 92 -10.732 33.803 11.937 755 HB3 SER 92 HB3 SER 92 -9.006 33.562 12.268 756 HG SER 92 HG SER 92 -9.634 33.206 10.055 757 H ILE 93 H ILE 93 -7.999 32.118 14.176 758 HA ILE 93 HA ILE 93 -6.982 29.519 13.127 759 HB ILE 93 HB ILE 93 -5.691 31.663 12.954 760 HG12 ILE 93 HG12 ILE 93 -4.778 29.218 12.866 761 HG13 ILE 93 HG13 ILE 93 -3.713 30.608 12.862 762 HG21 ILE 93 HG21 ILE 93 -4.337 32.448 14.791 763 HG22 ILE 93 HG22 ILE 93 -6.061 32.649 15.119 764 HG23 ILE 93 HG23 ILE 93 -5.149 31.327 15.902 765 HD11 ILE 93 HD11 ILE 93 -2.903 28.709 14.280 766 HD12 ILE 93 HD12 ILE 93 -3.029 30.243 15.145 767 HD13 ILE 93 HD13 ILE 93 -4.250 28.979 15.380 768 H GLN 94 H GLN 94 -8.315 30.870 15.981 769 HA GLN 94 HA GLN 94 -7.432 29.289 18.057 770 HB2 GLN 94 HB2 GLN 94 -8.908 31.215 18.222 771 HB3 GLN 94 HB3 GLN 94 -10.193 30.297 17.403 772 HG2 GLN 94 HG2 GLN 94 -10.732 30.532 19.660 773 HG3 GLN 94 HG3 GLN 94 -10.335 28.833 19.418 774 HE21 GLN 94 HE21 GLN 94 -8.694 29.874 22.579 775 HE22 GLN 94 HE22 GLN 94 -10.320 29.565 21.994 776 H TYR 95 H TYR 95 -9.549 28.276 15.421 777 HA TYR 95 HA TYR 95 -10.617 25.858 16.385 778 HB2 TYR 95 HB2 TYR 95 -11.091 26.873 14.193 779 HB3 TYR 95 HB3 TYR 95 -9.452 26.536 13.655 780 HD1 TYR 95 HD1 TYR 95 -12.632 24.903 14.779 781 HD2 TYR 95 HD2 TYR 95 -8.889 24.421 12.688 782 HE1 TYR 95 HE1 TYR 95 -13.365 22.656 13.976 783 HE2 TYR 95 HE2 TYR 95 -9.627 22.186 11.879 784 HH TYR 95 HH TYR 95 -11.285 20.638 11.880 785 H MET 96 H MET 96 -7.242 26.551 15.492 786 HA MET 96 HA MET 96 -6.150 23.904 15.561 787 HB2 MET 96 HB2 MET 96 -5.031 26.643 16.286 788 HB3 MET 96 HB3 MET 96 -4.037 25.183 16.176 789 HG2 MET 96 HG2 MET 96 -5.646 26.387 13.890 790 HG3 MET 96 HG3 MET 96 -3.904 26.520 14.121 791 HE1 MET 96 HE1 MET 96 -5.358 25.570 11.426 792 HE2 MET 96 HE2 MET 96 -3.593 25.738 11.599 793 HE3 MET 96 HE3 MET 96 -4.285 24.243 10.936 794 H ILE 97 H ILE 97 -7.181 26.022 18.187 795 HA ILE 97 HA ILE 97 -5.704 24.759 20.265 796 HB ILE 97 HB ILE 97 -7.153 27.008 20.199 797 HG12 ILE 97 HG12 ILE 97 -6.737 25.480 22.791 798 HG13 ILE 97 HG13 ILE 97 -5.406 26.161 21.859 799 HG21 ILE 97 HG21 ILE 97 -9.341 25.677 20.240 800 HG22 ILE 97 HG22 ILE 97 -8.900 25.181 21.889 801 HG23 ILE 97 HG23 ILE 97 -9.166 26.897 21.510 802 HD11 ILE 97 HD11 ILE 97 -5.931 27.711 23.563 803 HD12 ILE 97 HD12 ILE 97 -6.460 28.429 22.015 804 HD13 ILE 97 HD13 ILE 97 -7.655 27.734 23.132 805 H GLN 98 H GLN 98 -8.388 23.505 18.517 806 HA GLN 98 HA GLN 98 -9.434 21.645 20.389 807 HB2 GLN 98 HB2 GLN 98 -8.878 21.412 17.408 808 HB3 GLN 98 HB3 GLN 98 -9.756 20.191 18.310 809 HG2 GLN 98 HG2 GLN 98 -10.629 23.119 18.079 810 HG3 GLN 98 HG3 GLN 98 -11.209 21.803 17.063 811 HE21 GLN 98 HE21 GLN 98 -12.902 20.344 20.121 812 HE22 GLN 98 HE22 GLN 98 -11.607 19.749 19.102 813 H LYS 99 H LYS 99 -6.278 21.689 18.780 814 HA LYS 99 HA LYS 99 -5.579 18.972 19.632 815 HB2 LYS 99 HB2 LYS 99 -4.071 21.278 18.287 816 HB3 LYS 99 HB3 LYS 99 -3.249 19.816 18.705 817 HG2 LYS 99 HG2 LYS 99 -5.729 20.006 16.918 818 HG3 LYS 99 HG3 LYS 99 -4.071 19.860 16.339 819 HD2 LYS 99 HD2 LYS 99 -3.871 17.635 16.939 820 HD3 LYS 99 HD3 LYS 99 -5.092 17.691 18.191 821 HE2 LYS 99 HE2 LYS 99 -6.895 17.891 16.529 822 HE3 LYS 99 HE3 LYS 99 -5.715 17.831 15.218 823 HZ1 LYS 99 HZ1 LYS 99 -6.119 15.689 17.250 824 HZ2 LYS 99 HZ2 LYS 99 -6.705 15.633 15.724 825 HZ3 LYS 99 HZ3 LYS 99 -5.084 15.602 15.967 826 H VAL 100 H VAL 100 -4.840 22.192 20.839 827 HA VAL 100 HA VAL 100 -3.248 21.233 23.049 828 HB VAL 100 HB VAL 100 -4.474 23.760 22.131 829 HG11 VAL 100 HG11 VAL 100 -5.571 23.871 24.275 830 HG12 VAL 100 HG12 VAL 100 -4.051 23.526 25.123 831 HG13 VAL 100 HG13 VAL 100 -4.254 25.038 24.196 832 HG21 VAL 100 HG21 VAL 100 -2.233 24.604 22.828 833 HG22 VAL 100 HG22 VAL 100 -1.920 23.087 23.691 834 HG23 VAL 100 HG23 VAL 100 -2.051 23.073 21.942 835 H MET 101 H MET 101 -6.685 21.904 22.613 836 HA MET 101 HA MET 101 -7.492 21.038 25.198 837 HB2 MET 101 HB2 MET 101 -9.052 21.271 22.620 838 HB3 MET 101 HB3 MET 101 -9.765 20.883 24.190 839 HG2 MET 101 HG2 MET 101 -8.655 23.011 25.078 840 HG3 MET 101 HG3 MET 101 -8.384 23.461 23.400 841 HE1 MET 101 HE1 MET 101 -11.300 22.144 22.186 842 HE2 MET 101 HE2 MET 101 -12.146 23.703 22.094 843 HE3 MET 101 HE3 MET 101 -10.439 23.583 21.616 844 H GLU 102 H GLU 102 -6.278 19.060 22.663 845 HA GLU 102 HA GLU 102 -8.036 16.858 23.217 846 HB2 GLU 102 HB2 GLU 102 -7.206 17.276 20.960 847 HB3 GLU 102 HB3 GLU 102 -5.555 16.890 21.457 848 HG2 GLU 102 HG2 GLU 102 -6.073 14.593 21.736 849 HG3 GLU 102 HG3 GLU 102 -7.799 14.904 21.926 850 H TYR 103 H TYR 103 -4.470 16.875 23.600 851 HA TYR 103 HA TYR 103 -4.846 15.010 25.892 852 HB2 TYR 103 HB2 TYR 103 -2.602 14.846 23.864 853 HB3 TYR 103 HB3 TYR 103 -2.830 13.794 25.244 854 HD1 TYR 103 HD1 TYR 103 -2.845 13.566 21.922 855 HD2 TYR 103 HD2 TYR 103 -5.612 12.956 25.179 856 HE1 TYR 103 HE1 TYR 103 -4.098 11.913 20.554 857 HE2 TYR 103 HE2 TYR 103 -6.870 11.315 23.804 858 HH TYR 103 HH TYR 103 -7.001 10.233 21.817 859 H LEU 104 H LEU 104 -2.925 17.619 24.561 860 HA LEU 104 HA LEU 104 -1.114 18.059 26.704 861 HB2 LEU 104 HB2 LEU 104 -0.949 18.973 24.475 862 HB3 LEU 104 HB3 LEU 104 -2.479 19.784 24.601 863 HG LEU 104 HG LEU 104 -0.530 21.262 24.586 864 HD11 LEU 104 HD11 LEU 104 -2.730 21.869 25.792 865 HD12 LEU 104 HD12 LEU 104 -1.839 21.608 27.295 866 HD13 LEU 104 HD13 LEU 104 -1.267 22.822 26.153 867 HD21 LEU 104 HD21 LEU 104 0.908 21.498 26.530 868 HD22 LEU 104 HD22 LEU 104 0.117 20.125 27.329 869 HD23 LEU 104 HD23 LEU 104 1.032 19.880 25.821 870 H LYS 105 H LYS 105 -4.517 18.728 26.358 871 HA LYS 105 HA LYS 105 -4.977 20.667 28.298 872 HB2 LYS 105 HB2 LYS 105 -6.415 19.743 26.375 873 HB3 LYS 105 HB3 LYS 105 -6.851 18.401 27.359 874 HG2 LYS 105 HG2 LYS 105 -8.581 20.136 27.278 875 HG3 LYS 105 HG3 LYS 105 -8.038 19.847 28.933 876 HD2 LYS 105 HD2 LYS 105 -6.724 21.886 28.945 877 HD3 LYS 105 HD3 LYS 105 -6.991 22.137 27.204 878 HE2 LYS 105 HE2 LYS 105 -9.430 22.396 27.610 879 HE3 LYS 105 HE3 LYS 105 -9.186 22.091 29.334 880 HZ1 LYS 105 HZ1 LYS 105 -7.886 24.141 29.455 881 HZ2 LYS 105 HZ2 LYS 105 -8.083 24.422 27.854 882 HZ3 LYS 105 HZ3 LYS 105 -9.361 24.454 28.850 883 H SER 106 H SER 106 -5.075 17.187 28.663 884 HA SER 106 HA SER 106 -6.642 17.190 31.041 885 HB2 SER 106 HB2 SER 106 -6.663 15.393 29.358 886 HB3 SER 106 HB3 SER 106 -5.037 14.900 29.881 887 HG SER 106 HG SER 106 -6.788 13.749 30.888 888 H SER 107 H SER 107 -5.863 18.083 32.908 889 HA SER 107 HA SER 107 -3.230 17.637 33.924 890 HB2 SER 107 HB2 SER 107 -4.012 18.525 35.999 891 HB3 SER 107 HB3 SER 107 -4.506 19.543 34.634 892 HG SER 107 HG SER 107 -6.221 19.149 36.165 893 H LYS 108 H LYS 108 -5.755 15.372 33.699 894 HA LYS 108 HA LYS 108 -5.130 13.732 36.012 895 HB2 LYS 108 HB2 LYS 108 -6.131 12.905 33.251 896 HB3 LYS 108 HB3 LYS 108 -6.058 11.870 34.677 897 HG2 LYS 108 HG2 LYS 108 -7.608 13.399 35.885 898 HG3 LYS 108 HG3 LYS 108 -7.756 14.392 34.420 899 HD2 LYS 108 HD2 LYS 108 -8.689 12.447 33.184 900 HD3 LYS 108 HD3 LYS 108 -8.469 11.431 34.612 901 HE2 LYS 108 HE2 LYS 108 -10.775 12.031 34.535 902 HE3 LYS 108 HE3 LYS 108 -10.039 12.882 35.894 903 HZ1 LYS 108 HZ1 LYS 108 -10.632 14.082 33.242 904 HZ2 LYS 108 HZ2 LYS 108 -11.497 14.318 34.598 905 HZ3 LYS 108 HZ3 LYS 108 -9.973 14.888 34.504 906 H SER 109 H SER 109 -3.314 14.506 33.156 907 HA SER 109 HA SER 109 -1.107 13.071 34.359 908 HB2 SER 109 HB2 SER 109 -0.334 12.028 32.276 909 HB3 SER 109 HB3 SER 109 -1.961 11.478 32.679 910 HG SER 109 HG SER 109 -1.181 13.384 30.732 911 H LEU 110 H LEU 110 -1.817 15.900 34.225 912 HA LEU 110 HA LEU 110 0.855 16.750 33.401 913 HB2 LEU 110 HB2 LEU 110 -1.673 18.258 32.578 914 HB3 LEU 110 HB3 LEU 110 -0.192 19.094 32.932 915 HG LEU 110 HG LEU 110 -0.214 18.977 30.656 916 HD11 LEU 110 HD11 LEU 110 1.952 18.255 31.781 917 HD12 LEU 110 HD12 LEU 110 1.555 16.604 31.267 918 HD13 LEU 110 HD13 LEU 110 1.765 17.873 30.052 919 HD21 LEU 110 HD21 LEU 110 -1.927 17.306 30.266 920 HD22 LEU 110 HD22 LEU 110 -0.499 17.002 29.267 921 HD23 LEU 110 HD23 LEU 110 -0.804 16.006 30.703 922 H ASP 111 H ASP 111 1.866 18.085 34.720 923 HA ASP 111 HA ASP 111 0.743 18.663 37.347 924 HB2 ASP 111 HB2 ASP 111 3.456 19.287 36.120 925 HB3 ASP 111 HB3 ASP 111 2.995 19.617 37.790 926 H LEU 112 H LEU 112 0.523 20.758 38.173 927 HA LEU 112 HA LEU 112 -0.572 22.814 36.588 928 HB2 LEU 112 HB2 LEU 112 0.790 22.821 39.313 929 HB3 LEU 112 HB3 LEU 112 0.303 24.316 38.546 930 HG LEU 112 HG LEU 112 -2.054 23.531 38.420 931 HD11 LEU 112 HD11 LEU 112 -2.760 21.619 39.846 932 HD12 LEU 112 HD12 LEU 112 -1.805 21.102 38.457 933 HD13 LEU 112 HD13 LEU 112 -1.056 21.171 40.077 934 HD21 LEU 112 HD21 LEU 112 -0.834 23.454 41.212 935 HD22 LEU 112 HD22 LEU 112 -1.245 24.919 40.291 936 HD23 LEU 112 HD23 LEU 112 -2.525 23.817 40.813 937 H ASN 113 H ASN 113 2.833 22.376 37.544 938 HA ASN 113 HA ASN 113 3.665 24.892 36.611 939 HB2 ASN 113 HB2 ASN 113 5.342 22.335 36.716 940 HB3 ASN 113 HB3 ASN 113 5.947 23.987 36.869 941 HD21 ASN 113 HD21 ASN 113 4.954 24.246 40.316 942 HD22 ASN 113 HD22 ASN 113 5.385 25.179 38.888 943 H THR 114 H THR 114 3.222 21.860 34.788 944 HA THR 114 HA THR 114 4.372 22.891 32.296 945 HB THR 114 HB THR 114 2.577 20.547 33.039 946 HG1 THR 114 HG1 THR 114 4.993 20.231 31.748 947 HG21 THR 114 HG21 THR 114 3.419 21.554 30.322 948 HG22 THR 114 HG22 THR 114 3.058 19.838 30.623 949 HG23 THR 114 HG23 THR 114 1.817 21.064 30.921 950 H ARG 115 H ARG 115 1.086 22.253 33.577 951 HA ARG 115 HA ARG 115 -0.384 23.241 31.416 952 HB2 ARG 115 HB2 ARG 115 -1.221 21.877 33.277 953 HB3 ARG 115 HB3 ARG 115 -1.107 23.265 34.379 954 HG2 ARG 115 HG2 ARG 115 -2.785 24.516 33.114 955 HG3 ARG 115 HG3 ARG 115 -2.730 23.312 31.801 956 HD2 ARG 115 HD2 ARG 115 -3.276 21.685 33.916 957 HD3 ARG 115 HD3 ARG 115 -4.026 23.192 34.476 958 HE ARG 115 HE ARG 115 -4.599 22.240 31.695 959 HH11 ARG 115 HH11 ARG 115 -5.971 22.888 34.864 960 HH12 ARG 115 HH12 ARG 115 -7.535 22.274 34.403 961 HH21 ARG 115 HH21 ARG 115 -6.519 21.064 31.399 962 HH22 ARG 115 HH22 ARG 115 -7.851 21.368 32.485 963 H ILE 116 H ILE 116 0.782 25.075 34.169 964 HA ILE 116 HA ILE 116 -0.324 27.564 33.782 965 HB ILE 116 HB ILE 116 2.264 26.507 34.769 966 HG12 ILE 116 HG12 ILE 116 0.202 28.453 35.938 967 HG13 ILE 116 HG13 ILE 116 0.008 26.713 35.995 968 HG21 ILE 116 HG21 ILE 116 3.176 28.382 33.618 969 HG22 ILE 116 HG22 ILE 116 1.961 29.489 34.316 970 HG23 ILE 116 HG23 ILE 116 3.188 28.721 35.349 971 HD11 ILE 116 HD11 ILE 116 0.850 27.459 38.127 972 HD12 ILE 116 HD12 ILE 116 2.111 26.509 37.324 973 HD13 ILE 116 HD13 ILE 116 2.225 28.285 37.377 974 H SER 117 H SER 117 2.164 26.097 31.842 975 HA SER 117 HA SER 117 3.020 28.508 30.498 976 HB2 SER 117 HB2 SER 117 4.460 27.159 29.182 977 HB3 SER 117 HB3 SER 117 4.497 26.503 30.824 978 HG SER 117 HG SER 117 3.091 24.864 30.158 979 H VAL 118 H VAL 118 0.470 26.226 29.950 980 HA VAL 118 HA VAL 118 -0.188 27.419 27.317 981 HB VAL 118 HB VAL 118 -0.199 25.086 27.333 982 HG11 VAL 118 HG11 VAL 118 -0.508 24.455 29.599 983 HG12 VAL 118 HG12 VAL 118 -2.230 24.978 29.592 984 HG13 VAL 118 HG13 VAL 118 -1.706 23.627 28.598 985 HG21 VAL 118 HG21 VAL 118 -2.493 24.727 26.451 986 HG22 VAL 118 HG22 VAL 118 -3.102 26.104 27.385 987 HG23 VAL 118 HG23 VAL 118 -1.970 26.381 26.054 988 H ILE 119 H ILE 119 -1.786 26.867 30.561 989 HA ILE 119 HA ILE 119 -4.099 28.171 29.834 990 HB ILE 119 HB ILE 119 -3.300 26.632 31.852 991 HG12 ILE 119 HG12 ILE 119 -5.125 27.362 33.329 992 HG13 ILE 119 HG13 ILE 119 -5.370 28.797 32.310 993 HG21 ILE 119 HG21 ILE 119 -2.601 27.490 33.813 994 HG22 ILE 119 HG22 ILE 119 -1.701 28.415 32.596 995 HG23 ILE 119 HG23 ILE 119 -3.079 29.179 33.403 996 HD11 ILE 119 HD11 ILE 119 -6.945 26.867 31.833 997 HD12 ILE 119 HD12 ILE 119 -6.006 27.375 30.420 998 HD13 ILE 119 HD13 ILE 119 -5.528 25.914 31.312 999 H GLU 120 H GLU 120 -1.102 29.679 30.994 1000 HA GLU 120 HA GLU 120 -2.269 32.342 31.039 1001 HB2 GLU 120 HB2 GLU 120 0.564 31.276 31.238 1002 HB3 GLU 120 HB3 GLU 120 0.186 33.011 31.141 1003 HG2 GLU 120 HG2 GLU 120 -1.392 32.752 33.071 1004 HG3 GLU 120 HG3 GLU 120 -0.854 31.079 33.259 1005 H THR 121 H THR 121 -0.452 30.417 28.632 1006 HA THR 121 HA THR 121 0.048 32.505 26.792 1007 HB THR 121 HB THR 121 0.736 29.951 26.740 1008 HG1 THR 121 HG1 THR 121 1.476 30.386 24.760 1009 HG21 THR 121 HG21 THR 121 -0.194 28.634 25.006 1010 HG22 THR 121 HG22 THR 121 -1.634 29.132 25.895 1011 HG23 THR 121 HG23 THR 121 -1.212 29.953 24.397 1012 H ILE 122 H ILE 122 -2.822 30.362 26.965 1013 HA ILE 122 HA ILE 122 -4.196 31.709 24.843 1014 HB ILE 122 HB ILE 122 -4.648 29.460 25.418 1015 HG12 ILE 122 HG12 ILE 122 -6.454 30.886 24.369 1016 HG13 ILE 122 HG13 ILE 122 -6.911 29.348 25.086 1017 HG21 ILE 122 HG21 ILE 122 -4.270 29.295 27.667 1018 HG22 ILE 122 HG22 ILE 122 -5.631 30.365 28.107 1019 HG23 ILE 122 HG23 ILE 122 -5.924 28.757 27.392 1020 HD11 ILE 122 HD11 ILE 122 -7.444 32.049 26.380 1021 HD12 ILE 122 HD12 ILE 122 -8.606 31.020 25.543 1022 HD13 ILE 122 HD13 ILE 122 -7.877 30.463 27.056 1023 H ARG 123 H ARG 123 -4.236 32.240 28.363 1024 HA ARG 123 HA ARG 123 -6.222 34.302 28.448 1025 HB2 ARG 123 HB2 ARG 123 -5.348 32.964 30.368 1026 HB3 ARG 123 HB3 ARG 123 -3.819 33.839 30.293 1027 HG2 ARG 123 HG2 ARG 123 -4.977 35.948 30.829 1028 HG3 ARG 123 HG3 ARG 123 -6.544 35.111 30.794 1029 HD2 ARG 123 HD2 ARG 123 -5.817 33.653 32.651 1030 HD3 ARG 123 HD3 ARG 123 -4.236 34.459 32.678 1031 HE ARG 123 HE ARG 123 -6.261 36.447 32.969 1032 HH11 ARG 123 HH11 ARG 123 -4.955 33.812 34.893 1033 HH12 ARG 123 HH12 ARG 123 -5.373 34.607 36.392 1034 HH21 ARG 123 HH21 ARG 123 -6.728 37.387 34.914 1035 HH22 ARG 123 HH22 ARG 123 -6.341 36.555 36.397 1036 H VAL 124 H VAL 124 -2.736 34.482 27.823 1037 HA VAL 124 HA VAL 124 -2.652 37.369 27.632 1038 HB VAL 124 HB VAL 124 -0.664 35.175 26.958 1039 HG11 VAL 124 HG11 VAL 124 -0.213 38.187 26.898 1040 HG12 VAL 124 HG12 VAL 124 1.064 36.956 26.860 1041 HG13 VAL 124 HG13 VAL 124 -0.076 37.065 25.523 1042 HG21 VAL 124 HG21 VAL 124 0.497 35.895 28.950 1043 HG22 VAL 124 HG22 VAL 124 -0.640 37.244 29.201 1044 HG23 VAL 124 HG23 VAL 124 -1.173 35.565 29.397 1045 H VAL 125 H VAL 125 -2.238 34.796 25.125 1046 HA VAL 125 HA VAL 125 -1.886 36.717 23.065 1047 HB VAL 125 HB VAL 125 -1.032 34.319 23.192 1048 HG11 VAL 125 HG11 VAL 125 -3.287 33.221 23.459 1049 HG12 VAL 125 HG12 VAL 125 -3.652 33.674 21.795 1050 HG13 VAL 125 HG13 VAL 125 -2.303 32.560 22.139 1051 HG21 VAL 125 HG21 VAL 125 -0.910 34.055 20.756 1052 HG22 VAL 125 HG22 VAL 125 -2.193 35.263 20.541 1053 HG23 VAL 125 HG23 VAL 125 -0.629 35.734 21.241 1054 H THR 126 H THR 126 -4.872 35.273 24.247 1055 HA THR 126 HA THR 126 -6.383 36.051 21.847 1056 HB THR 126 HB THR 126 -8.403 35.461 23.191 1057 HG1 THR 126 HG1 THR 126 -6.697 34.619 25.253 1058 HG21 THR 126 HG21 THR 126 -7.437 33.568 22.080 1059 HG22 THR 126 HG22 THR 126 -6.192 33.369 23.327 1060 HG23 THR 126 HG23 THR 126 -7.895 33.062 23.708 1061 H GLU 127 H GLU 127 -5.166 37.972 24.356 1062 HA GLU 127 HA GLU 127 -7.233 40.063 24.020 1063 HB2 GLU 127 HB2 GLU 127 -4.415 40.174 25.179 1064 HB3 GLU 127 HB3 GLU 127 -5.583 41.484 25.224 1065 HG2 GLU 127 HG2 GLU 127 -5.865 38.781 26.603 1066 HG3 GLU 127 HG3 GLU 127 -5.450 40.310 27.370 1067 H ASN 128 H ASN 128 -4.634 38.841 22.116 1068 HA ASN 128 HA ASN 128 -3.834 41.400 21.078 1069 HB2 ASN 128 HB2 ASN 128 -2.911 38.628 20.306 1070 HB3 ASN 128 HB3 ASN 128 -2.201 40.122 19.723 1071 HD21 ASN 128 HD21 ASN 128 -0.179 38.918 22.610 1072 HD22 ASN 128 HD22 ASN 128 -0.673 38.202 21.084 1073 H LYS 129 H LYS 129 -6.251 41.689 20.468 1074 HA LYS 129 HA LYS 129 -6.973 40.898 17.750 1075 HB2 LYS 129 HB2 LYS 129 -8.604 41.596 19.537 1076 HB3 LYS 129 HB3 LYS 129 -7.949 43.230 19.436 1077 HG2 LYS 129 HG2 LYS 129 -9.977 43.167 18.184 1078 HG3 LYS 129 HG3 LYS 129 -8.645 43.320 17.041 1079 HD2 LYS 129 HD2 LYS 129 -8.834 40.847 16.548 1080 HD3 LYS 129 HD3 LYS 129 -10.184 40.770 17.684 1081 HE2 LYS 129 HE2 LYS 129 -11.189 40.928 15.546 1082 HE3 LYS 129 HE3 LYS 129 -11.364 42.523 16.272 1083 HZ1 LYS 129 HZ1 LYS 129 -9.429 43.239 14.924 1084 HZ2 LYS 129 HZ2 LYS 129 -9.319 41.749 14.234 1085 HZ3 LYS 129 HZ3 LYS 129 -10.628 42.687 13.980 1086 H ILE 130 H ILE 130 -4.993 43.409 19.029 1087 HA ILE 130 HA ILE 130 -4.783 45.222 16.916 1088 HB ILE 130 HB ILE 130 -2.358 45.482 17.855 1089 HG12 ILE 130 HG12 ILE 130 -3.481 43.795 20.130 1090 HG13 ILE 130 HG13 ILE 130 -2.410 43.134 18.893 1091 HG21 ILE 130 HG21 ILE 130 -4.210 47.001 18.310 1092 HG22 ILE 130 HG22 ILE 130 -4.777 45.958 19.637 1093 HG23 ILE 130 HG23 ILE 130 -3.204 46.789 19.736 1094 HD11 ILE 130 HD11 ILE 130 -1.716 45.396 20.819 1095 HD12 ILE 130 HD12 ILE 130 -1.107 43.736 20.856 1096 HD13 ILE 130 HD13 ILE 130 -0.660 44.804 19.512 1097 H PHE 131 H PHE 131 -3.189 45.638 15.483 1098 HA PHE 131 HA PHE 131 -1.297 43.677 14.521 1099 HB2 PHE 131 HB2 PHE 131 -3.317 43.157 13.177 1100 HB3 PHE 131 HB3 PHE 131 -3.423 44.833 12.666 1101 HD1 PHE 131 HD1 PHE 131 -1.108 41.865 12.616 1102 HD2 PHE 131 HD2 PHE 131 -2.348 45.498 10.652 1103 HE1 PHE 131 HE1 PHE 131 0.324 41.304 10.656 1104 HE2 PHE 131 HE2 PHE 131 -0.909 44.933 8.707 1105 HZ PHE 131 HZ PHE 131 0.425 42.837 8.707 1106 H VAL 132 H VAL 132 -0.331 45.291 15.852 1107 HA VAL 132 HA VAL 132 -0.463 47.985 15.737 1108 HB VAL 132 HB VAL 132 0.484 46.918 17.562 1109 HG11 VAL 132 HG11 VAL 132 1.745 45.055 16.504 1110 HG12 VAL 132 HG12 VAL 132 2.934 46.216 15.879 1111 HG13 VAL 132 HG13 VAL 132 2.773 45.954 17.626 1112 HG21 VAL 132 HG21 VAL 132 1.181 49.248 17.246 1113 HG22 VAL 132 HG22 VAL 132 2.355 48.294 18.161 1114 HG23 VAL 132 HG23 VAL 132 2.682 48.687 16.467 1115 H GLU 133 H GLU 133 0.562 49.636 15.058 1116 HA GLU 133 HA GLU 133 1.129 49.455 12.271 1117 HB2 GLU 133 HB2 GLU 133 1.016 51.921 14.059 1118 HB3 GLU 133 HB3 GLU 133 0.936 51.943 12.305 1119 HG2 GLU 133 HG2 GLU 133 -1.143 50.774 14.194 1120 HG3 GLU 133 HG3 GLU 133 -1.241 52.274 13.277 1121 H VAL 134 H VAL 134 2.706 51.530 11.567 1122 HA VAL 134 HA VAL 134 5.356 51.217 12.717 1123 HB VAL 134 HB VAL 134 5.318 49.250 11.416 1124 HG11 VAL 134 HG11 VAL 134 4.709 50.852 8.905 1125 HG12 VAL 134 HG12 VAL 134 5.052 49.116 9.021 1126 HG13 VAL 134 HG13 VAL 134 3.577 49.762 9.741 1127 HG21 VAL 134 HG21 VAL 134 6.995 51.257 9.883 1128 HG22 VAL 134 HG22 VAL 134 7.414 50.593 11.479 1129 HG23 VAL 134 HG23 VAL 134 7.277 49.521 10.069 1130 H GLU 135 H GLU 135 5.328 53.263 13.187 1131 HA GLU 135 HA GLU 135 5.690 55.480 13.040 1132 HB2 GLU 135 HB2 GLU 135 7.680 56.074 11.887 1133 HB3 GLU 135 HB3 GLU 135 7.837 54.499 12.650 1134 HG2 GLU 135 HG2 GLU 135 7.711 53.351 10.537 1135 HG3 GLU 135 HG3 GLU 135 7.220 54.817 9.684 1136 H ARG 136 H ARG 136 3.298 55.032 11.667 1137 HA ARG 136 HA ARG 136 3.087 56.566 9.236 1138 HB2 ARG 136 HB2 ARG 136 0.950 55.981 11.331 1139 HB3 ARG 136 HB3 ARG 136 0.673 56.610 9.702 1140 HG2 ARG 136 HG2 ARG 136 1.718 54.501 8.771 1141 HG3 ARG 136 HG3 ARG 136 1.788 53.865 10.428 1142 HD2 ARG 136 HD2 ARG 136 -0.704 54.279 10.607 1143 HD3 ARG 136 HD3 ARG 136 -0.720 54.688 8.888 1144 HE ARG 136 HE ARG 136 -0.528 52.026 10.100 1145 HH11 ARG 136 HH11 ARG 136 -0.388 50.286 7.240 1146 HH12 ARG 136 HH12 ARG 136 -0.611 50.295 8.987 1147 HH21 ARG 136 HH21 ARG 136 0.039 53.705 7.052 1148 HH22 ARG 136 HH22 ARG 136 -0.021 52.197 6.176 Start of MODEL 9 1 H1 MET 1 H1 MET 1 9.601 -7.946 -12.038 2 H2 MET 1 H2 MET 1 10.563 -7.154 -13.101 3 H3 MET 1 H3 MET 1 11.216 -7.864 -11.781 4 HA MET 1 HA MET 1 9.359 -5.596 -11.753 5 HB2 MET 1 HB2 MET 1 9.622 -5.443 -9.408 6 HB3 MET 1 HB3 MET 1 9.207 -7.117 -9.740 7 HG2 MET 1 HG2 MET 1 11.989 -6.037 -9.098 8 HG3 MET 1 HG3 MET 1 10.923 -6.901 -8.001 9 HE1 MET 1 HE1 MET 1 12.981 -8.424 -7.352 10 HE2 MET 1 HE2 MET 1 13.906 -9.386 -8.521 11 HE3 MET 1 HE3 MET 1 14.017 -7.609 -8.551 12 H SER 2 H SER 2 10.353 -3.543 -11.037 13 HA SER 2 HA SER 2 12.923 -3.059 -12.318 14 HB2 SER 2 HB2 SER 2 11.119 -1.380 -12.326 15 HB3 SER 2 HB3 SER 2 11.252 -1.230 -10.560 16 HG SER 2 HG SER 2 12.689 0.225 -11.028 17 H ARG 3 H ARG 3 14.869 -2.472 -11.383 18 HA ARG 3 HA ARG 3 15.437 -3.400 -8.624 19 HB2 ARG 3 HB2 ARG 3 17.252 -2.238 -10.784 20 HB3 ARG 3 HB3 ARG 3 17.803 -2.865 -9.234 21 HG2 ARG 3 HG2 ARG 3 16.421 -4.503 -11.406 22 HG3 ARG 3 HG3 ARG 3 18.155 -4.470 -11.064 23 HD2 ARG 3 HD2 ARG 3 17.731 -5.355 -8.786 24 HD3 ARG 3 HD3 ARG 3 15.993 -5.454 -9.148 25 HE ARG 3 HE ARG 3 17.196 -6.892 -11.198 26 HH11 ARG 3 HH11 ARG 3 17.512 -9.073 -11.226 27 HH12 ARG 3 HH12 ARG 3 17.659 -9.954 -9.731 28 HH21 ARG 3 HH21 ARG 3 17.287 -7.232 -7.696 29 HH22 ARG 3 HH22 ARG 3 17.536 -8.954 -7.801 30 H ASP 4 H ASP 4 14.477 -0.453 -9.999 31 HA ASP 4 HA ASP 4 15.020 0.955 -7.477 32 HB2 ASP 4 HB2 ASP 4 17.008 1.278 -9.081 33 HB3 ASP 4 HB3 ASP 4 15.908 2.156 -10.136 34 H ALA 5 H ALA 5 13.935 3.076 -7.372 35 HA ALA 5 HA ALA 5 11.896 3.993 -7.051 36 HB1 ALA 5 HB1 ALA 5 10.834 4.938 -9.032 37 HB2 ALA 5 HB2 ALA 5 12.597 5.077 -9.136 38 HB3 ALA 5 HB3 ALA 5 11.744 3.832 -10.082 39 HA PRO 6 HA PRO 6 9.558 -0.090 -7.582 40 HB2 PRO 6 HB2 PRO 6 9.564 -1.067 -5.049 41 HB3 PRO 6 HB3 PRO 6 10.960 -1.293 -6.149 42 HG2 PRO 6 HG2 PRO 6 10.600 0.860 -4.023 43 HG3 PRO 6 HG3 PRO 6 12.005 -0.231 -4.260 44 HD2 PRO 6 HD2 PRO 6 11.918 2.302 -5.290 45 HD3 PRO 6 HD3 PRO 6 12.721 0.950 -6.158 46 H ILE 7 H ILE 7 7.340 -0.467 -6.825 47 HA ILE 7 HA ILE 7 6.054 1.999 -6.052 48 HB ILE 7 HB ILE 7 4.613 -0.581 -6.718 49 HG12 ILE 7 HG12 ILE 7 4.393 0.822 -9.029 50 HG13 ILE 7 HG13 ILE 7 5.990 1.377 -8.563 51 HG21 ILE 7 HG21 ILE 7 2.802 0.954 -7.381 52 HG22 ILE 7 HG22 ILE 7 3.241 1.258 -5.704 53 HG23 ILE 7 HG23 ILE 7 3.809 2.356 -6.977 54 HD11 ILE 7 HD11 ILE 7 6.737 -1.042 -8.484 55 HD12 ILE 7 HD12 ILE 7 5.088 -1.527 -8.930 56 HD13 ILE 7 HD13 ILE 7 6.081 -0.581 -10.061 57 H LYS 8 H LYS 8 7.314 1.709 -3.976 58 HA LYS 8 HA LYS 8 5.925 0.119 -1.884 59 HB2 LYS 8 HB2 LYS 8 8.494 1.757 -1.913 60 HB3 LYS 8 HB3 LYS 8 7.886 0.979 -0.461 61 HG2 LYS 8 HG2 LYS 8 8.379 -0.694 -2.945 62 HG3 LYS 8 HG3 LYS 8 9.727 -0.155 -1.959 63 HD2 LYS 8 HD2 LYS 8 9.063 -2.406 -1.358 64 HD3 LYS 8 HD3 LYS 8 8.884 -1.294 0.004 65 HE2 LYS 8 HE2 LYS 8 6.470 -1.210 -0.289 66 HE3 LYS 8 HE3 LYS 8 6.579 -2.156 -1.798 67 HZ1 LYS 8 HZ1 LYS 8 7.303 -3.168 0.905 68 HZ2 LYS 8 HZ2 LYS 8 5.949 -3.552 0.091 69 HZ3 LYS 8 HZ3 LYS 8 7.403 -4.027 -0.473 70 H ALA 9 H ALA 9 3.946 1.378 -2.105 71 HA ALA 9 HA ALA 9 3.898 4.026 -0.840 72 HB1 ALA 9 HB1 ALA 9 1.535 3.865 -0.945 73 HB2 ALA 9 HB2 ALA 9 2.251 3.483 -2.529 74 HB3 ALA 9 HB3 ALA 9 1.615 2.165 -1.493 75 H ASP 10 H ASP 10 5.281 2.817 0.778 76 HA ASP 10 HA ASP 10 4.179 1.408 3.027 77 HB2 ASP 10 HB2 ASP 10 6.575 1.545 2.099 78 HB3 ASP 10 HB3 ASP 10 6.610 3.190 2.772 79 H LYS 11 H LYS 11 3.895 4.530 2.064 80 HA LYS 11 HA LYS 11 3.246 6.571 2.837 81 HB2 LYS 11 HB2 LYS 11 2.357 5.011 5.256 82 HB3 LYS 11 HB3 LYS 11 2.502 6.743 5.351 83 HG2 LYS 11 HG2 LYS 11 0.256 6.227 4.900 84 HG3 LYS 11 HG3 LYS 11 0.889 7.042 3.496 85 HD2 LYS 11 HD2 LYS 11 1.059 4.854 2.307 86 HD3 LYS 11 HD3 LYS 11 0.368 4.058 3.741 87 HE2 LYS 11 HE2 LYS 11 -1.641 5.565 3.583 88 HE3 LYS 11 HE3 LYS 11 -0.943 6.337 2.160 89 HZ1 LYS 11 HZ1 LYS 11 -1.083 4.178 1.011 90 HZ2 LYS 11 HZ2 LYS 11 -1.709 3.463 2.335 91 HZ3 LYS 11 HZ3 LYS 11 -2.553 4.612 1.551 92 H ASP 12 H ASP 12 5.072 7.532 2.513 93 HA ASP 12 HA ASP 12 7.271 7.743 4.467 94 HB2 ASP 12 HB2 ASP 12 6.697 9.226 1.868 95 HB3 ASP 12 HB3 ASP 12 8.205 9.297 2.784 96 H TYR 13 H TYR 13 7.928 10.465 4.388 97 HA TYR 13 HA TYR 13 6.393 11.579 6.434 98 HB2 TYR 13 HB2 TYR 13 7.986 13.153 4.392 99 HB3 TYR 13 HB3 TYR 13 7.505 13.684 6.000 100 HD1 TYR 13 HD1 TYR 13 8.298 10.832 7.305 101 HD2 TYR 13 HD2 TYR 13 10.282 13.773 4.834 102 HE1 TYR 13 HE1 TYR 13 10.481 10.183 8.273 103 HE2 TYR 13 HE2 TYR 13 12.464 13.149 5.859 104 HH TYR 13 HH TYR 13 12.583 11.283 8.740 105 H SER 14 H SER 14 4.882 13.004 6.600 106 HA SER 14 HA SER 14 2.805 13.867 6.369 107 HB2 SER 14 HB2 SER 14 2.148 15.157 4.551 108 HB3 SER 14 HB3 SER 14 3.893 15.424 4.736 109 HG SER 14 HG SER 14 4.116 13.746 3.079 110 H GLN 15 H GLN 15 3.618 11.287 4.137 111 HA GLN 15 HA GLN 15 0.898 10.580 3.506 112 HB2 GLN 15 HB2 GLN 15 3.220 8.707 3.452 113 HB3 GLN 15 HB3 GLN 15 1.738 8.679 2.498 114 HG2 GLN 15 HG2 GLN 15 2.472 10.807 1.384 115 HG3 GLN 15 HG3 GLN 15 4.052 10.597 2.156 116 HE21 GLN 15 HE21 GLN 15 3.697 8.865 -1.306 117 HE22 GLN 15 HE22 GLN 15 2.972 10.378 -0.767 118 H ILE 16 H ILE 16 3.063 9.900 6.211 119 HA ILE 16 HA ILE 16 1.846 7.939 7.750 120 HB ILE 16 HB ILE 16 2.557 10.789 8.635 121 HG12 ILE 16 HG12 ILE 16 4.353 8.354 8.698 122 HG13 ILE 16 HG13 ILE 16 4.340 9.578 7.423 123 HG21 ILE 16 HG21 ILE 16 2.291 8.298 10.367 124 HG22 ILE 16 HG22 ILE 16 2.960 9.854 10.907 125 HG23 ILE 16 HG23 ILE 16 1.274 9.751 10.451 126 HD11 ILE 16 HD11 ILE 16 4.864 11.348 9.048 127 HD12 ILE 16 HD12 ILE 16 5.129 10.099 10.291 128 HD13 ILE 16 HD13 ILE 16 6.143 10.148 8.830 129 H LEU 17 H LEU 17 0.657 11.215 7.218 130 HA LEU 17 HA LEU 17 -1.492 11.013 9.129 131 HB2 LEU 17 HB2 LEU 17 -1.148 12.960 6.877 132 HB3 LEU 17 HB3 LEU 17 -1.952 13.211 8.456 133 HG LEU 17 HG LEU 17 1.049 13.025 7.933 134 HD11 LEU 17 HD11 LEU 17 -0.693 15.395 8.688 135 HD12 LEU 17 HD12 LEU 17 1.073 15.396 8.483 136 HD13 LEU 17 HD13 LEU 17 0.026 15.075 7.096 137 HD21 LEU 17 HD21 LEU 17 0.624 12.150 10.136 138 HD22 LEU 17 HD22 LEU 17 1.325 13.752 10.301 139 HD23 LEU 17 HD23 LEU 17 -0.416 13.532 10.558 140 H LYS 18 H LYS 18 -1.139 9.775 5.957 141 HA LYS 18 HA LYS 18 -3.913 9.702 5.126 142 HB2 LYS 18 HB2 LYS 18 -1.674 7.902 4.200 143 HB3 LYS 18 HB3 LYS 18 -3.204 8.174 3.409 144 HG2 LYS 18 HG2 LYS 18 -1.287 10.466 3.852 145 HG3 LYS 18 HG3 LYS 18 -1.042 9.319 2.529 146 HD2 LYS 18 HD2 LYS 18 -3.274 9.923 1.618 147 HD3 LYS 18 HD3 LYS 18 -3.578 10.983 3.014 148 HE2 LYS 18 HE2 LYS 18 -1.649 12.403 2.372 149 HE3 LYS 18 HE3 LYS 18 -1.322 11.349 0.986 150 HZ1 LYS 18 HZ1 LYS 18 -2.602 13.298 0.336 151 HZ2 LYS 18 HZ2 LYS 18 -3.501 11.963 0.090 152 HZ3 LYS 18 HZ3 LYS 18 -3.804 12.928 1.372 153 H GLU 19 H GLU 19 -1.617 7.649 6.877 154 HA GLU 19 HA GLU 19 -3.564 5.426 6.914 155 HB2 GLU 19 HB2 GLU 19 -1.880 3.957 7.374 156 HB3 GLU 19 HB3 GLU 19 -1.119 5.103 6.272 157 HG2 GLU 19 HG2 GLU 19 -0.075 6.242 8.233 158 HG3 GLU 19 HG3 GLU 19 -0.827 5.071 9.312 159 H GLU 20 H GLU 20 -1.999 7.663 9.165 160 HA GLU 20 HA GLU 20 -3.073 6.343 11.528 161 HB2 GLU 20 HB2 GLU 20 -1.651 8.962 10.996 162 HB3 GLU 20 HB3 GLU 20 -2.221 8.519 12.608 163 HG2 GLU 20 HG2 GLU 20 -0.409 6.770 10.907 164 HG3 GLU 20 HG3 GLU 20 0.195 7.941 12.079 165 H PHE 21 H PHE 21 -4.241 8.935 9.429 166 HA PHE 21 HA PHE 21 -6.192 10.028 11.182 167 HB2 PHE 21 HB2 PHE 21 -5.728 11.195 9.194 168 HB3 PHE 21 HB3 PHE 21 -6.111 9.804 8.177 169 HD1 PHE 21 HD1 PHE 21 -7.815 11.848 10.874 170 HD2 PHE 21 HD2 PHE 21 -8.151 9.929 7.028 171 HE1 PHE 21 HE1 PHE 21 -10.153 12.655 10.679 172 HE2 PHE 21 HE2 PHE 21 -10.492 10.730 6.836 173 HZ PHE 21 HZ PHE 21 -11.493 12.102 8.658 174 HA PRO 22 HA PRO 22 -9.420 6.681 9.885 175 HB2 PRO 22 HB2 PRO 22 -8.069 4.205 9.434 176 HB3 PRO 22 HB3 PRO 22 -9.110 5.129 8.287 177 HG2 PRO 22 HG2 PRO 22 -6.159 4.924 8.512 178 HG3 PRO 22 HG3 PRO 22 -7.126 5.369 7.080 179 HD2 PRO 22 HD2 PRO 22 -5.674 7.188 8.518 180 HD3 PRO 22 HD3 PRO 22 -7.185 7.619 7.670 181 H LYS 23 H LYS 23 -6.275 5.725 11.356 182 HA LYS 23 HA LYS 23 -7.302 3.959 13.317 183 HB2 LYS 23 HB2 LYS 23 -4.946 5.770 13.821 184 HB3 LYS 23 HB3 LYS 23 -5.289 4.204 14.548 185 HG2 LYS 23 HG2 LYS 23 -4.714 4.718 11.639 186 HG3 LYS 23 HG3 LYS 23 -3.532 4.112 12.792 187 HD2 LYS 23 HD2 LYS 23 -4.696 1.997 12.962 188 HD3 LYS 23 HD3 LYS 23 -6.085 2.611 12.035 189 HE2 LYS 23 HE2 LYS 23 -4.671 2.976 10.056 190 HE3 LYS 23 HE3 LYS 23 -3.250 2.401 10.944 191 HZ1 LYS 23 HZ1 LYS 23 -5.640 0.746 10.338 192 HZ2 LYS 23 HZ2 LYS 23 -4.208 0.641 9.576 193 HZ3 LYS 23 HZ3 LYS 23 -4.323 0.227 11.145 194 H ILE 24 H ILE 24 -7.081 7.499 13.340 195 HA ILE 24 HA ILE 24 -8.246 7.691 16.033 196 HB ILE 24 HB ILE 24 -7.731 9.777 16.143 197 HG12 ILE 24 HG12 ILE 24 -7.715 10.686 13.259 198 HG13 ILE 24 HG13 ILE 24 -9.266 10.547 14.035 199 HG21 ILE 24 HG21 ILE 24 -6.051 9.273 13.672 200 HG22 ILE 24 HG22 ILE 24 -5.624 10.341 15.026 201 HG23 ILE 24 HG23 ILE 24 -5.656 8.574 15.258 202 HD11 ILE 24 HD11 ILE 24 -7.177 12.038 15.564 203 HD12 ILE 24 HD12 ILE 24 -7.994 12.787 14.154 204 HD13 ILE 24 HD13 ILE 24 -8.942 12.220 15.508 205 H ASP 25 H ASP 25 -9.431 7.815 12.727 206 HA ASP 25 HA ASP 25 -11.683 9.427 13.209 207 HB2 ASP 25 HB2 ASP 25 -10.639 8.795 11.047 208 HB3 ASP 25 HB3 ASP 25 -11.346 7.185 11.199 209 H SER 26 H SER 26 -11.285 5.993 13.824 210 HA SER 26 HA SER 26 -14.038 5.401 14.513 211 HB2 SER 26 HB2 SER 26 -12.291 3.683 14.117 212 HB3 SER 26 HB3 SER 26 -11.443 4.217 15.583 213 HG SER 26 HG SER 26 -12.805 2.379 15.912 214 H LEU 27 H LEU 27 -11.423 6.998 16.303 215 HA LEU 27 HA LEU 27 -12.861 7.003 18.842 216 HB2 LEU 27 HB2 LEU 27 -10.537 6.611 18.999 217 HB3 LEU 27 HB3 LEU 27 -10.145 7.883 17.859 218 HG LEU 27 HG LEU 27 -10.898 9.602 19.482 219 HD11 LEU 27 HD11 LEU 27 -12.402 8.190 20.880 220 HD12 LEU 27 HD12 LEU 27 -11.008 7.217 21.406 221 HD13 LEU 27 HD13 LEU 27 -11.140 8.927 21.865 222 HD21 LEU 27 HD21 LEU 27 -8.877 9.405 20.891 223 HD22 LEU 27 HD22 LEU 27 -8.730 7.688 20.471 224 HD23 LEU 27 HD23 LEU 27 -8.520 8.938 19.225 225 H ALA 28 H ALA 28 -11.642 9.522 16.592 226 HA ALA 28 HA ALA 28 -12.516 11.761 17.953 227 HB1 ALA 28 HB1 ALA 28 -12.072 12.951 15.882 228 HB2 ALA 28 HB2 ALA 28 -10.945 11.593 15.968 229 HB3 ALA 28 HB3 ALA 28 -12.361 11.481 14.917 230 H GLN 29 H GLN 29 -14.434 9.766 15.807 231 HA GLN 29 HA GLN 29 -16.699 11.566 15.657 232 HB2 GLN 29 HB2 GLN 29 -16.606 8.570 15.222 233 HB3 GLN 29 HB3 GLN 29 -17.929 9.629 14.745 234 HG2 GLN 29 HG2 GLN 29 -15.087 9.872 13.672 235 HG3 GLN 29 HG3 GLN 29 -16.370 8.976 12.872 236 HE21 GLN 29 HE21 GLN 29 -16.003 12.292 11.257 237 HE22 GLN 29 HE22 GLN 29 -14.949 10.892 11.545 238 H ASN 30 H ASN 30 -15.523 9.906 18.299 239 HA ASN 30 HA ASN 30 -18.104 9.896 19.738 240 HB2 ASN 30 HB2 ASN 30 -15.807 7.882 19.836 241 HB3 ASN 30 HB3 ASN 30 -17.169 7.888 20.952 242 HD21 ASN 30 HD21 ASN 30 -17.641 6.045 17.433 243 HD22 ASN 30 HD22 ASN 30 -16.064 6.614 17.951 244 H ASP 31 H ASP 31 -14.560 10.284 20.065 245 HA ASP 31 HA ASP 31 -14.913 12.250 22.237 246 HB2 ASP 31 HB2 ASP 31 -14.808 10.082 23.406 247 HB3 ASP 31 HB3 ASP 31 -13.298 9.693 22.589 248 H CYS 32 H CYS 32 -14.203 13.498 20.246 249 HA CYS 32 HA CYS 32 -11.560 13.171 19.245 250 HB2 CYS 32 HB2 CYS 32 -13.489 14.392 18.132 251 HB3 CYS 32 HB3 CYS 32 -13.196 15.734 19.247 252 HG CYS 32 HG CYS 32 -10.554 15.821 18.614 253 H ASN 33 H ASN 33 -12.528 14.508 22.242 254 HA ASN 33 HA ASN 33 -10.347 16.277 22.779 255 HB2 ASN 33 HB2 ASN 33 -12.465 16.158 24.095 256 HB3 ASN 33 HB3 ASN 33 -11.984 14.564 24.687 257 HD21 ASN 33 HD21 ASN 33 -10.456 16.142 27.436 258 HD22 ASN 33 HD22 ASN 33 -11.531 14.881 26.848 259 H SER 34 H SER 34 -10.618 12.750 22.804 260 HA SER 34 HA SER 34 -7.836 12.389 23.781 261 HB2 SER 34 HB2 SER 34 -9.898 10.440 22.719 262 HB3 SER 34 HB3 SER 34 -8.276 10.002 23.288 263 HG SER 34 HG SER 34 -10.572 10.680 24.704 264 H ALA 35 H ALA 35 -9.694 12.339 20.744 265 HA ALA 35 HA ALA 35 -7.675 11.101 19.162 266 HB1 ALA 35 HB1 ALA 35 -9.183 11.313 17.460 267 HB2 ALA 35 HB2 ALA 35 -10.277 11.511 18.822 268 HB3 ALA 35 HB3 ALA 35 -9.711 12.950 17.955 269 H LEU 36 H LEU 36 -8.149 14.539 19.915 270 HA LEU 36 HA LEU 36 -6.249 15.587 18.078 271 HB2 LEU 36 HB2 LEU 36 -6.269 17.542 19.471 272 HB3 LEU 36 HB3 LEU 36 -7.864 16.844 19.513 273 HG LEU 36 HG LEU 36 -6.976 15.688 21.751 274 HD11 LEU 36 HD11 LEU 36 -4.626 16.608 21.604 275 HD12 LEU 36 HD12 LEU 36 -5.300 18.242 21.620 276 HD13 LEU 36 HD13 LEU 36 -5.485 17.179 23.031 277 HD21 LEU 36 HD21 LEU 36 -7.664 18.646 21.601 278 HD22 LEU 36 HD22 LEU 36 -8.838 17.313 21.537 279 HD23 LEU 36 HD23 LEU 36 -7.886 17.576 23.009 280 H ASP 37 H ASP 37 -5.787 13.838 21.067 281 HA ASP 37 HA ASP 37 -2.894 14.166 21.110 282 HB2 ASP 37 HB2 ASP 37 -4.592 13.788 23.095 283 HB3 ASP 37 HB3 ASP 37 -4.444 12.085 22.646 284 H GLN 38 H GLN 38 -4.645 12.634 18.898 285 HA GLN 38 HA GLN 38 -2.638 10.511 18.565 286 HB2 GLN 38 HB2 GLN 38 -5.481 10.632 17.502 287 HB3 GLN 38 HB3 GLN 38 -4.311 9.390 17.072 288 HG2 GLN 38 HG2 GLN 38 -5.224 9.984 19.915 289 HG3 GLN 38 HG3 GLN 38 -5.964 8.770 18.875 290 HE21 GLN 38 HE21 GLN 38 -3.554 6.949 21.018 291 HE22 GLN 38 HE22 GLN 38 -5.005 7.903 21.299 292 H LEU 39 H LEU 39 -4.484 12.952 16.515 293 HA LEU 39 HA LEU 39 -2.389 12.728 14.482 294 HB2 LEU 39 HB2 LEU 39 -4.439 14.953 14.803 295 HB3 LEU 39 HB3 LEU 39 -3.419 14.650 13.399 296 HG LEU 39 HG LEU 39 -5.651 12.948 14.459 297 HD11 LEU 39 HD11 LEU 39 -6.704 13.433 12.274 298 HD12 LEU 39 HD12 LEU 39 -6.311 14.931 13.129 299 HD13 LEU 39 HD13 LEU 39 -5.277 14.370 11.789 300 HD21 LEU 39 HD21 LEU 39 -3.802 12.362 12.092 301 HD22 LEU 39 HD22 LEU 39 -3.935 11.392 13.574 302 HD23 LEU 39 HD23 LEU 39 -5.299 11.479 12.467 303 H LEU 40 H LEU 40 -2.946 15.188 17.139 304 HA LEU 40 HA LEU 40 -0.760 16.776 16.022 305 HB2 LEU 40 HB2 LEU 40 -2.109 17.137 18.702 306 HB3 LEU 40 HB3 LEU 40 -0.986 18.221 17.933 307 HG LEU 40 HG LEU 40 -2.785 19.388 17.245 308 HD11 LEU 40 HD11 LEU 40 -3.426 17.170 15.280 309 HD12 LEU 40 HD12 LEU 40 -3.808 18.884 15.164 310 HD13 LEU 40 HD13 LEU 40 -2.123 18.344 15.063 311 HD21 LEU 40 HD21 LEU 40 -4.618 17.028 17.347 312 HD22 LEU 40 HD22 LEU 40 -4.184 18.019 18.767 313 HD23 LEU 40 HD23 LEU 40 -4.984 18.768 17.387 314 H VAL 41 H VAL 41 -0.841 13.969 17.908 315 HA VAL 41 HA VAL 41 1.786 14.146 19.104 316 HB VAL 41 HB VAL 41 -0.106 11.901 18.403 317 HG11 VAL 41 HG11 VAL 41 2.742 11.512 19.449 318 HG12 VAL 41 HG12 VAL 41 1.463 10.283 19.500 319 HG13 VAL 41 HG13 VAL 41 2.060 10.854 17.943 320 HG21 VAL 41 HG21 VAL 41 1.240 12.886 20.981 321 HG22 VAL 41 HG22 VAL 41 -0.427 13.235 20.477 322 HG23 VAL 41 HG23 VAL 41 0.050 11.577 20.880 323 H LEU 42 H LEU 42 0.582 13.227 15.869 324 HA LEU 42 HA LEU 42 3.097 12.348 14.830 325 HB2 LEU 42 HB2 LEU 42 0.805 13.686 13.390 326 HB3 LEU 42 HB3 LEU 42 2.059 12.711 12.650 327 HG LEU 42 HG LEU 42 0.061 11.632 14.701 328 HD11 LEU 42 HD11 LEU 42 -1.224 10.663 13.035 329 HD12 LEU 42 HD12 LEU 42 -0.979 12.319 12.464 330 HD13 LEU 42 HD13 LEU 42 -0.042 10.978 11.767 331 HD21 LEU 42 HD21 LEU 42 2.080 10.342 14.725 332 HD22 LEU 42 HD22 LEU 42 0.892 9.420 13.797 333 HD23 LEU 42 HD23 LEU 42 2.180 10.335 12.960 334 H GLU 43 H GLU 43 1.447 15.526 14.504 335 HA GLU 43 HA GLU 43 3.505 17.110 13.487 336 HB2 GLU 43 HB2 GLU 43 1.515 18.170 13.871 337 HB3 GLU 43 HB3 GLU 43 1.333 17.608 15.504 338 HG2 GLU 43 HG2 GLU 43 3.596 19.481 14.844 339 HG3 GLU 43 HG3 GLU 43 2.011 20.151 14.795 340 H LYS 44 H LYS 44 3.147 16.155 16.892 341 HA LYS 44 HA LYS 44 5.456 17.538 17.863 342 HB2 LYS 44 HB2 LYS 44 3.538 16.718 19.233 343 HB3 LYS 44 HB3 LYS 44 4.085 15.063 18.997 344 HG2 LYS 44 HG2 LYS 44 6.232 15.585 20.151 345 HG3 LYS 44 HG3 LYS 44 5.761 17.281 20.275 346 HD2 LYS 44 HD2 LYS 44 5.431 16.284 22.411 347 HD3 LYS 44 HD3 LYS 44 3.831 16.609 21.732 348 HE2 LYS 44 HE2 LYS 44 3.621 14.219 21.071 349 HE3 LYS 44 HE3 LYS 44 5.250 13.897 21.680 350 HZ1 LYS 44 HZ1 LYS 44 4.476 14.501 23.901 351 HZ2 LYS 44 HZ2 LYS 44 2.970 14.803 23.357 352 HZ3 LYS 44 HZ3 LYS 44 3.569 13.287 23.313 353 H LYS 45 H LYS 45 5.059 14.065 17.165 354 HA LYS 45 HA LYS 45 7.777 13.301 17.566 355 HB2 LYS 45 HB2 LYS 45 5.818 11.781 17.464 356 HB3 LYS 45 HB3 LYS 45 5.651 12.064 15.738 357 HG2 LYS 45 HG2 LYS 45 8.263 11.006 16.883 358 HG3 LYS 45 HG3 LYS 45 6.879 9.934 16.688 359 HD2 LYS 45 HD2 LYS 45 6.791 10.429 14.262 360 HD3 LYS 45 HD3 LYS 45 8.233 11.460 14.418 361 HE2 LYS 45 HE2 LYS 45 9.551 9.560 15.254 362 HE3 LYS 45 HE3 LYS 45 8.120 8.523 15.228 363 HZ1 LYS 45 HZ1 LYS 45 8.052 8.776 12.809 364 HZ2 LYS 45 HZ2 LYS 45 9.386 9.727 12.805 365 HZ3 LYS 45 HZ3 LYS 45 9.484 8.170 13.271 366 H THR 46 H THR 46 6.105 14.382 14.616 367 HA THR 46 HA THR 46 8.336 13.998 12.884 368 HB THR 46 HB THR 46 7.121 15.460 11.300 369 HG1 THR 46 HG1 THR 46 5.131 15.453 13.266 370 HG21 THR 46 HG21 THR 46 6.467 13.294 10.947 371 HG22 THR 46 HG22 THR 46 5.792 13.067 12.589 372 HG23 THR 46 HG23 THR 46 4.911 14.043 11.407 373 H ARG 47 H ARG 47 7.261 17.032 14.551 374 HA ARG 47 HA ARG 47 9.512 18.479 13.437 375 HB2 ARG 47 HB2 ARG 47 7.450 19.608 14.386 376 HB3 ARG 47 HB3 ARG 47 8.053 19.316 16.010 377 HG2 ARG 47 HG2 ARG 47 9.857 20.615 13.958 378 HG3 ARG 47 HG3 ARG 47 8.562 21.565 14.657 379 HD2 ARG 47 HD2 ARG 47 9.424 21.348 16.870 380 HD3 ARG 47 HD3 ARG 47 10.596 20.121 16.411 381 HE ARG 47 HE ARG 47 10.756 23.025 15.934 382 HH11 ARG 47 HH11 ARG 47 12.701 23.886 15.325 383 HH12 ARG 47 HH12 ARG 47 13.958 22.846 14.720 384 HH21 ARG 47 HH21 ARG 47 12.262 19.920 15.077 385 HH22 ARG 47 HH22 ARG 47 13.733 20.723 14.600 386 H GLN 48 H GLN 48 9.201 16.561 16.423 387 HA GLN 48 HA GLN 48 11.797 17.316 17.412 388 HB2 GLN 48 HB2 GLN 48 9.942 15.005 18.067 389 HB3 GLN 48 HB3 GLN 48 11.463 15.277 18.915 390 HG2 GLN 48 HG2 GLN 48 9.213 17.333 18.755 391 HG3 GLN 48 HG3 GLN 48 9.432 16.200 20.079 392 HE21 GLN 48 HE21 GLN 48 10.974 19.434 21.099 393 HE22 GLN 48 HE22 GLN 48 9.353 18.906 20.653 394 H ALA 49 H ALA 49 10.701 14.532 15.447 395 HA ALA 49 HA ALA 49 13.243 13.199 15.476 396 HB1 ALA 49 HB1 ALA 49 12.023 11.627 13.998 397 HB2 ALA 49 HB2 ALA 49 11.033 12.077 15.401 398 HB3 ALA 49 HB3 ALA 49 10.712 12.820 13.818 399 H SER 50 H SER 50 12.267 15.871 13.683 400 HA SER 50 HA SER 50 12.805 16.901 11.825 401 HB2 SER 50 HB2 SER 50 14.917 16.794 10.781 402 HB3 SER 50 HB3 SER 50 15.159 16.524 12.511 403 HG SER 50 HG SER 50 15.049 14.208 11.928 404 H ASP 51 H ASP 51 11.110 14.589 11.820 405 HA ASP 51 HA ASP 51 10.909 13.813 8.947 406 HB2 ASP 51 HB2 ASP 51 9.188 13.037 11.315 407 HB3 ASP 51 HB3 ASP 51 9.033 12.404 9.688 408 H LEU 52 H LEU 52 10.656 16.491 10.162 409 HA LEU 52 HA LEU 52 8.139 17.470 10.650 410 HB2 LEU 52 HB2 LEU 52 9.136 19.560 10.673 411 HB3 LEU 52 HB3 LEU 52 10.302 18.372 11.263 412 HG LEU 52 HG LEU 52 11.047 18.459 8.635 413 HD11 LEU 52 HD11 LEU 52 9.292 20.204 8.178 414 HD12 LEU 52 HD12 LEU 52 10.118 21.283 9.299 415 HD13 LEU 52 HD13 LEU 52 10.944 20.748 7.817 416 HD21 LEU 52 HD21 LEU 52 12.526 18.754 10.544 417 HD22 LEU 52 HD22 LEU 52 12.819 20.028 9.343 418 HD23 LEU 52 HD23 LEU 52 11.896 20.390 10.822 419 H ALA 53 H ALA 53 9.486 17.021 7.529 420 HA ALA 53 HA ALA 53 7.790 18.628 5.905 421 HB1 ALA 53 HB1 ALA 53 8.133 16.863 4.202 422 HB2 ALA 53 HB2 ALA 53 9.646 17.237 5.048 423 HB3 ALA 53 HB3 ALA 53 8.738 15.760 5.461 424 H SER 54 H SER 54 7.042 15.870 7.872 425 HA SER 54 HA SER 54 4.263 15.517 6.951 426 HB2 SER 54 HB2 SER 54 5.470 14.702 9.567 427 HB3 SER 54 HB3 SER 54 4.108 13.911 8.750 428 HG SER 54 HG SER 54 6.894 13.766 8.381 429 H SER 55 H SER 55 5.817 16.738 9.982 430 HA SER 55 HA SER 55 3.732 17.806 11.378 431 HB2 SER 55 HB2 SER 55 6.383 17.994 11.717 432 HB3 SER 55 HB3 SER 55 6.166 19.549 10.947 433 HG SER 55 HG SER 55 5.305 18.635 13.434 434 H LYS 56 H LYS 56 5.360 19.336 8.647 435 HA LYS 56 HA LYS 56 3.947 21.815 8.549 436 HB2 LYS 56 HB2 LYS 56 5.399 20.193 6.430 437 HB3 LYS 56 HB3 LYS 56 4.704 21.789 6.111 438 HG2 LYS 56 HG2 LYS 56 6.089 22.799 7.883 439 HG3 LYS 56 HG3 LYS 56 6.764 21.225 8.290 440 HD2 LYS 56 HD2 LYS 56 8.358 22.445 6.960 441 HD3 LYS 56 HD3 LYS 56 7.772 21.062 6.027 442 HE2 LYS 56 HE2 LYS 56 6.233 22.553 4.767 443 HE3 LYS 56 HE3 LYS 56 6.771 23.939 5.732 444 HZ1 LYS 56 HZ1 LYS 56 8.503 22.354 3.917 445 HZ2 LYS 56 HZ2 LYS 56 7.921 23.839 3.613 446 HZ3 LYS 56 HZ3 LYS 56 9.005 23.625 4.809 447 H GLU 57 H GLU 57 2.794 18.690 7.536 448 HA GLU 57 HA GLU 57 0.471 19.891 6.125 449 HB2 GLU 57 HB2 GLU 57 1.384 17.027 6.431 450 HB3 GLU 57 HB3 GLU 57 -0.106 17.519 5.624 451 HG2 GLU 57 HG2 GLU 57 2.720 18.285 4.831 452 HG3 GLU 57 HG3 GLU 57 1.679 17.131 3.999 453 H VAL 58 H VAL 58 1.302 18.140 9.122 454 HA VAL 58 HA VAL 58 -1.419 17.896 10.083 455 HB VAL 58 HB VAL 58 0.871 18.452 11.926 456 HG11 VAL 58 HG11 VAL 58 -0.371 16.907 13.430 457 HG12 VAL 58 HG12 VAL 58 -1.453 18.179 12.853 458 HG13 VAL 58 HG13 VAL 58 -1.530 16.562 12.140 459 HG21 VAL 58 HG21 VAL 58 1.435 16.072 12.082 460 HG22 VAL 58 HG22 VAL 58 0.313 15.743 10.761 461 HG23 VAL 58 HG23 VAL 58 1.785 16.706 10.480 462 H LEU 59 H LEU 59 1.000 20.445 10.319 463 HA LEU 59 HA LEU 59 -0.197 22.150 12.137 464 HB2 LEU 59 HB2 LEU 59 1.710 22.466 9.863 465 HB3 LEU 59 HB3 LEU 59 1.141 23.922 10.691 466 HG LEU 59 HG LEU 59 2.328 21.579 12.230 467 HD11 LEU 59 HD11 LEU 59 4.443 22.876 12.268 468 HD12 LEU 59 HD12 LEU 59 4.018 22.320 10.643 469 HD13 LEU 59 HD13 LEU 59 3.745 24.025 11.091 470 HD21 LEU 59 HD21 LEU 59 2.731 23.342 13.904 471 HD22 LEU 59 HD22 LEU 59 1.999 24.551 12.829 472 HD23 LEU 59 HD23 LEU 59 1.017 23.227 13.501 473 H ALA 60 H ALA 60 -0.995 21.916 8.731 474 HA ALA 60 HA ALA 60 -2.869 24.111 8.793 475 HB1 ALA 60 HB1 ALA 60 -2.524 21.767 6.851 476 HB2 ALA 60 HB2 ALA 60 -3.473 23.223 6.504 477 HB3 ALA 60 HB3 ALA 60 -1.711 23.343 6.707 478 H LYS 61 H LYS 61 -3.212 21.134 10.229 479 HA LYS 61 HA LYS 61 -6.019 21.845 10.642 480 HB2 LYS 61 HB2 LYS 61 -6.900 20.107 9.855 481 HB3 LYS 61 HB3 LYS 61 -5.354 19.662 9.168 482 HG2 LYS 61 HG2 LYS 61 -6.370 18.679 11.872 483 HG3 LYS 61 HG3 LYS 61 -6.683 17.865 10.371 484 HD2 LYS 61 HD2 LYS 61 -3.911 18.345 11.509 485 HD3 LYS 61 HD3 LYS 61 -4.818 16.846 11.641 486 HE2 LYS 61 HE2 LYS 61 -3.776 18.138 9.080 487 HE3 LYS 61 HE3 LYS 61 -3.159 16.665 9.849 488 HZ1 LYS 61 HZ1 LYS 61 -5.849 16.929 8.596 489 HZ2 LYS 61 HZ2 LYS 61 -4.583 16.154 7.956 490 HZ3 LYS 61 HZ3 LYS 61 -5.279 15.571 9.304 491 H ILE 62 H ILE 62 -3.222 21.847 12.024 492 HA ILE 62 HA ILE 62 -3.661 21.045 14.675 493 HB ILE 62 HB ILE 62 -1.806 22.480 13.226 494 HG12 ILE 62 HG12 ILE 62 -0.535 22.523 15.472 495 HG13 ILE 62 HG13 ILE 62 -1.925 21.594 16.065 496 HG21 ILE 62 HG21 ILE 62 -1.213 24.512 14.303 497 HG22 ILE 62 HG22 ILE 62 -2.803 24.605 13.566 498 HG23 ILE 62 HG23 ILE 62 -2.651 24.412 15.345 499 HD11 ILE 62 HD11 ILE 62 -0.417 19.946 15.277 500 HD12 ILE 62 HD12 ILE 62 -1.458 20.207 13.837 501 HD13 ILE 62 HD13 ILE 62 0.147 20.971 13.948 502 H VAL 63 H VAL 63 -5.053 23.839 12.943 503 HA VAL 63 HA VAL 63 -6.316 24.905 15.359 504 HB VAL 63 HB VAL 63 -8.031 25.691 13.382 505 HG11 VAL 63 HG11 VAL 63 -6.762 26.944 15.213 506 HG12 VAL 63 HG12 VAL 63 -5.470 27.146 14.004 507 HG13 VAL 63 HG13 VAL 63 -7.084 27.791 13.688 508 HG21 VAL 63 HG21 VAL 63 -6.739 26.486 11.486 509 HG22 VAL 63 HG22 VAL 63 -5.324 25.583 12.050 510 HG23 VAL 63 HG23 VAL 63 -6.794 24.715 11.542 511 H ASP 64 H ASP 64 -7.076 22.331 13.165 512 HA ASP 64 HA ASP 64 -9.885 22.408 13.734 513 HB2 ASP 64 HB2 ASP 64 -8.309 20.520 11.942 514 HB3 ASP 64 HB3 ASP 64 -10.060 20.550 12.062 515 H LEU 65 H LEU 65 -7.215 20.689 15.016 516 HA LEU 65 HA LEU 65 -9.135 19.100 16.678 517 HB2 LEU 65 HB2 LEU 65 -6.441 18.233 15.653 518 HB3 LEU 65 HB3 LEU 65 -7.141 17.604 17.142 519 HG LEU 65 HG LEU 65 -9.254 17.023 15.703 520 HD11 LEU 65 HD11 LEU 65 -7.077 17.176 13.579 521 HD12 LEU 65 HD12 LEU 65 -8.681 16.423 13.378 522 HD13 LEU 65 HD13 LEU 65 -8.550 18.165 13.653 523 HD21 LEU 65 HD21 LEU 65 -6.642 15.506 15.602 524 HD22 LEU 65 HD22 LEU 65 -7.979 15.350 16.767 525 HD23 LEU 65 HD23 LEU 65 -8.230 14.863 15.097 526 H LEU 66 H LEU 66 -6.044 21.072 16.836 527 HA LEU 66 HA LEU 66 -6.109 20.936 19.718 528 HB2 LEU 66 HB2 LEU 66 -4.155 21.434 17.900 529 HB3 LEU 66 HB3 LEU 66 -4.577 23.089 18.317 530 HG LEU 66 HG LEU 66 -4.099 22.589 20.694 531 HD11 LEU 66 HD11 LEU 66 -2.789 20.599 21.267 532 HD12 LEU 66 HD12 LEU 66 -4.371 20.101 20.670 533 HD13 LEU 66 HD13 LEU 66 -2.944 19.984 19.612 534 HD21 LEU 66 HD21 LEU 66 -1.957 22.121 18.585 535 HD22 LEU 66 HD22 LEU 66 -2.431 23.665 19.344 536 HD23 LEU 66 HD23 LEU 66 -1.608 22.421 20.293 537 H ALA 67 H ALA 67 -6.484 23.965 17.674 538 HA ALA 67 HA ALA 67 -7.758 25.412 19.752 539 HB1 ALA 67 HB1 ALA 67 -7.987 25.657 16.720 540 HB2 ALA 67 HB2 ALA 67 -8.524 26.892 17.879 541 HB3 ALA 67 HB3 ALA 67 -6.814 26.460 17.767 542 H SER 68 H SER 68 -9.291 23.438 17.288 543 HA SER 68 HA SER 68 -11.969 24.153 17.944 544 HB2 SER 68 HB2 SER 68 -10.927 21.741 16.450 545 HB3 SER 68 HB3 SER 68 -12.620 22.268 16.480 546 HG SER 68 HG SER 68 -10.387 23.712 15.462 547 H ARG 69 H ARG 69 -9.930 22.047 19.696 548 HA ARG 69 HA ARG 69 -12.284 20.918 21.173 549 HB2 ARG 69 HB2 ARG 69 -9.599 19.570 20.842 550 HB3 ARG 69 HB3 ARG 69 -11.011 18.900 21.653 551 HG2 ARG 69 HG2 ARG 69 -10.777 19.484 18.663 552 HG3 ARG 69 HG3 ARG 69 -10.640 17.903 19.422 553 HD2 ARG 69 HD2 ARG 69 -12.955 17.938 20.110 554 HD3 ARG 69 HD3 ARG 69 -13.145 19.619 19.653 555 HE ARG 69 HE ARG 69 -12.663 17.391 17.702 556 HH11 ARG 69 HH11 ARG 69 -14.060 20.602 18.229 557 HH12 ARG 69 HH12 ARG 69 -14.952 20.494 16.728 558 HH21 ARG 69 HH21 ARG 69 -13.770 17.433 15.820 559 HH22 ARG 69 HH22 ARG 69 -14.743 18.822 15.405 560 H ASN 70 H ASN 70 -11.093 23.417 21.587 561 HA ASN 70 HA ASN 70 -10.463 24.788 23.174 562 HB2 ASN 70 HB2 ASN 70 -11.421 22.626 25.051 563 HB3 ASN 70 HB3 ASN 70 -11.039 24.269 25.548 564 HD21 ASN 70 HD21 ASN 70 -14.706 23.706 24.315 565 HD22 ASN 70 HD22 ASN 70 -13.657 22.480 25.018 566 H LYS 71 H LYS 71 -8.318 22.993 22.145 567 HA LYS 71 HA LYS 71 -6.323 23.751 24.174 568 HB2 LYS 71 HB2 LYS 71 -5.945 21.836 21.850 569 HB3 LYS 71 HB3 LYS 71 -4.736 22.243 23.058 570 HG2 LYS 71 HG2 LYS 71 -7.339 20.743 23.543 571 HG3 LYS 71 HG3 LYS 71 -5.721 20.048 23.434 572 HD2 LYS 71 HD2 LYS 71 -5.025 21.327 25.454 573 HD3 LYS 71 HD3 LYS 71 -6.676 21.979 25.597 574 HE2 LYS 71 HE2 LYS 71 -7.583 19.688 25.800 575 HE3 LYS 71 HE3 LYS 71 -5.951 19.017 25.660 576 HZ1 LYS 71 HZ1 LYS 71 -5.366 20.192 27.714 577 HZ2 LYS 71 HZ2 LYS 71 -6.876 20.791 27.850 578 HZ3 LYS 71 HZ3 LYS 71 -6.621 19.188 27.973 579 H TRP 72 H TRP 72 -7.758 25.499 22.350 580 HA TRP 72 HA TRP 72 -6.086 26.785 20.483 581 HB2 TRP 72 HB2 TRP 72 -7.310 28.910 21.540 582 HB3 TRP 72 HB3 TRP 72 -8.127 27.752 20.517 583 HD1 TRP 72 HD1 TRP 72 -10.333 26.992 21.299 584 HE1 TRP 72 HE1 TRP 72 -11.643 26.898 23.485 585 HE3 TRP 72 HE3 TRP 72 -6.768 28.841 24.510 586 HZ2 TRP 72 HZ2 TRP 72 -11.186 27.393 26.280 587 HZ3 TRP 72 HZ3 TRP 72 -7.224 28.954 26.937 588 HH2 TRP 72 HH2 TRP 72 -9.422 28.232 27.844 589 H ASP 73 H ASP 73 -5.690 26.747 23.977 590 HA ASP 73 HA ASP 73 -3.888 28.912 24.270 591 HB2 ASP 73 HB2 ASP 73 -5.061 27.518 26.045 592 HB3 ASP 73 HB3 ASP 73 -3.911 26.226 25.713 593 H ASP 74 H ASP 74 -3.392 25.670 22.935 594 HA ASP 74 HA ASP 74 -0.485 25.941 22.909 595 HB2 ASP 74 HB2 ASP 74 -2.326 23.679 22.108 596 HB3 ASP 74 HB3 ASP 74 -0.561 23.613 22.054 597 H LEU 75 H LEU 75 -2.982 26.837 20.674 598 HA LEU 75 HA LEU 75 -1.753 26.300 18.180 599 HB2 LEU 75 HB2 LEU 75 -3.910 27.910 19.183 600 HB3 LEU 75 HB3 LEU 75 -2.964 28.778 17.976 601 HG LEU 75 HG LEU 75 -4.962 27.491 17.171 602 HD11 LEU 75 HD11 LEU 75 -3.774 26.490 15.163 603 HD12 LEU 75 HD12 LEU 75 -3.528 28.201 15.534 604 HD13 LEU 75 HD13 LEU 75 -2.261 27.007 15.936 605 HD21 LEU 75 HD21 LEU 75 -3.289 24.995 17.510 606 HD22 LEU 75 HD22 LEU 75 -4.625 25.474 18.581 607 HD23 LEU 75 HD23 LEU 75 -4.923 25.133 16.868 608 H ASN 76 H ASN 76 -1.083 28.931 20.425 609 HA ASN 76 HA ASN 76 0.918 30.324 18.992 610 HB2 ASN 76 HB2 ASN 76 0.109 31.204 21.045 611 HB3 ASN 76 HB3 ASN 76 0.428 29.711 21.922 612 HD21 ASN 76 HD21 ASN 76 3.646 30.718 22.915 613 HD22 ASN 76 HD22 ASN 76 2.330 29.576 23.097 614 H GLU 77 H GLU 77 1.295 27.244 20.758 615 HA GLU 77 HA GLU 77 4.149 27.130 20.480 616 HB2 GLU 77 HB2 GLU 77 2.765 25.843 22.165 617 HB3 GLU 77 HB3 GLU 77 2.279 24.797 20.847 618 HG2 GLU 77 HG2 GLU 77 4.046 23.671 21.898 619 HG3 GLU 77 HG3 GLU 77 4.740 24.291 20.411 620 H GLN 78 H GLN 78 1.467 26.379 18.357 621 HA GLN 78 HA GLN 78 2.928 24.642 16.535 622 HB2 GLN 78 HB2 GLN 78 0.346 26.113 15.918 623 HB3 GLN 78 HB3 GLN 78 0.922 24.574 15.291 624 HG2 GLN 78 HG2 GLN 78 -0.085 25.185 18.056 625 HG3 GLN 78 HG3 GLN 78 -0.851 24.129 16.924 626 HE21 GLN 78 HE21 GLN 78 1.439 22.477 19.631 627 HE22 GLN 78 HE22 GLN 78 0.496 23.966 19.776 628 H LEU 79 H LEU 79 2.111 28.085 16.607 629 HA LEU 79 HA LEU 79 3.507 28.770 14.163 630 HB2 LEU 79 HB2 LEU 79 2.389 30.225 16.571 631 HB3 LEU 79 HB3 LEU 79 3.501 31.087 15.520 632 HG LEU 79 HG LEU 79 2.083 30.744 13.567 633 HD11 LEU 79 HD11 LEU 79 -0.246 29.898 13.815 634 HD12 LEU 79 HD12 LEU 79 0.952 28.628 14.021 635 HD13 LEU 79 HD13 LEU 79 0.166 29.321 15.452 636 HD21 LEU 79 HD21 LEU 79 0.721 31.838 16.046 637 HD22 LEU 79 HD22 LEU 79 1.776 32.723 14.928 638 HD23 LEU 79 HD23 LEU 79 0.182 32.158 14.401 639 H THR 80 H THR 80 4.470 28.288 17.498 640 HA THR 80 HA THR 80 7.156 29.361 17.331 641 HB THR 80 HB THR 80 5.577 27.636 19.190 642 HG1 THR 80 HG1 THR 80 5.078 29.663 19.392 643 HG21 THR 80 HG21 THR 80 8.498 28.225 19.485 644 HG22 THR 80 HG22 THR 80 7.405 27.825 20.846 645 HG23 THR 80 HG23 THR 80 7.626 26.657 19.530 646 H LEU 81 H LEU 81 5.715 26.150 16.800 647 HA LEU 81 HA LEU 81 7.544 24.293 17.178 648 HB2 LEU 81 HB2 LEU 81 5.198 24.500 15.689 649 HB3 LEU 81 HB3 LEU 81 6.357 23.941 14.499 650 HG LEU 81 HG LEU 81 7.038 22.171 16.248 651 HD11 LEU 81 HD11 LEU 81 5.922 23.372 18.194 652 HD12 LEU 81 HD12 LEU 81 4.363 22.980 17.452 653 HD13 LEU 81 HD13 LEU 81 5.432 21.675 17.997 654 HD21 LEU 81 HD21 LEU 81 4.167 22.043 15.220 655 HD22 LEU 81 HD22 LEU 81 5.605 21.798 14.206 656 HD23 LEU 81 HD23 LEU 81 5.280 20.707 15.554 657 H LEU 82 H LEU 82 7.582 25.583 13.869 658 HA LEU 82 HA LEU 82 10.431 24.767 13.690 659 HB2 LEU 82 HB2 LEU 82 8.403 25.574 11.590 660 HB3 LEU 82 HB3 LEU 82 10.087 25.213 11.205 661 HG LEU 82 HG LEU 82 8.322 23.268 12.727 662 HD11 LEU 82 HD11 LEU 82 8.691 23.431 9.703 663 HD12 LEU 82 HD12 LEU 82 7.880 22.111 10.585 664 HD13 LEU 82 HD13 LEU 82 7.187 23.735 10.601 665 HD21 LEU 82 HD21 LEU 82 10.824 22.893 11.016 666 HD22 LEU 82 HD22 LEU 82 10.746 22.795 12.784 667 HD23 LEU 82 HD23 LEU 82 9.906 21.591 11.804 668 H SER 83 H SER 83 9.167 27.253 14.963 669 HA SER 83 HA SER 83 11.104 29.316 14.011 670 HB2 SER 83 HB2 SER 83 8.623 29.875 14.354 671 HB3 SER 83 HB3 SER 83 8.922 29.685 16.083 672 HG SER 83 HG SER 83 10.624 31.240 15.844 673 H LYS 84 H LYS 84 10.991 26.830 16.293 674 HA LYS 84 HA LYS 84 11.876 27.957 18.686 675 HB2 LYS 84 HB2 LYS 84 12.354 25.215 17.471 676 HB3 LYS 84 HB3 LYS 84 12.921 25.641 19.091 677 HG2 LYS 84 HG2 LYS 84 10.658 26.188 19.820 678 HG3 LYS 84 HG3 LYS 84 10.017 25.874 18.206 679 HD2 LYS 84 HD2 LYS 84 10.653 23.520 18.334 680 HD3 LYS 84 HD3 LYS 84 11.381 23.757 19.928 681 HE2 LYS 84 HE2 LYS 84 8.445 24.355 19.305 682 HE3 LYS 84 HE3 LYS 84 9.001 22.770 19.850 683 HZ1 LYS 84 HZ1 LYS 84 9.476 25.238 21.439 684 HZ2 LYS 84 HZ2 LYS 84 8.206 24.248 21.680 685 HZ3 LYS 84 HZ3 LYS 84 9.726 23.692 21.907 686 H LYS 85 H LYS 85 13.808 27.810 15.867 687 HA LYS 85 HA LYS 85 16.424 28.165 17.186 688 HB2 LYS 85 HB2 LYS 85 15.438 28.615 14.332 689 HB3 LYS 85 HB3 LYS 85 17.095 28.909 14.869 690 HG2 LYS 85 HG2 LYS 85 17.360 26.535 15.488 691 HG3 LYS 85 HG3 LYS 85 15.678 26.211 15.069 692 HD2 LYS 85 HD2 LYS 85 17.105 25.440 13.261 693 HD3 LYS 85 HD3 LYS 85 16.101 26.777 12.720 694 HE2 LYS 85 HE2 LYS 85 18.282 27.075 11.785 695 HE3 LYS 85 HE3 LYS 85 18.040 28.340 12.989 696 HZ1 LYS 85 HZ1 LYS 85 20.240 27.324 13.163 697 HZ2 LYS 85 HZ2 LYS 85 19.412 26.996 14.529 698 HZ3 LYS 85 HZ3 LYS 85 19.610 25.842 13.391 699 H HIS 86 H HIS 86 15.497 29.673 18.739 700 HA HIS 86 HA HIS 86 14.167 31.999 18.224 701 HB2 HIS 86 HB2 HIS 86 14.811 32.814 20.406 702 HB3 HIS 86 HB3 HIS 86 14.411 31.111 20.438 703 HD2 HIS 86 HD2 HIS 86 17.853 30.850 19.326 704 HE1 HIS 86 HE1 HIS 86 18.264 31.310 23.542 705 HE2 HIS 86 HE2 HIS 86 19.451 30.616 21.398 706 H GLY 87 H GLY 87 14.488 34.152 17.951 707 HA2 GLY 87 HA2 GLY 87 15.568 36.111 17.314 708 HA3 GLY 87 HA3 GLY 87 17.125 35.287 17.358 709 H GLN 88 H GLN 88 15.614 33.169 15.415 710 HA GLN 88 HA GLN 88 16.545 34.314 12.949 711 HB2 GLN 88 HB2 GLN 88 16.565 31.916 13.432 712 HB3 GLN 88 HB3 GLN 88 14.796 31.879 13.482 713 HG2 GLN 88 HG2 GLN 88 14.645 32.396 11.118 714 HG3 GLN 88 HG3 GLN 88 16.378 32.718 11.017 715 HE21 GLN 88 HE21 GLN 88 15.806 29.334 9.600 716 HE22 GLN 88 HE22 GLN 88 15.303 30.970 9.195 717 H LEU 89 H LEU 89 15.420 34.991 11.196 718 HA LEU 89 HA LEU 89 13.193 36.710 11.438 719 HB2 LEU 89 HB2 LEU 89 14.913 36.886 9.748 720 HB3 LEU 89 HB3 LEU 89 14.541 35.306 9.089 721 HG LEU 89 HG LEU 89 13.941 37.389 7.776 722 HD11 LEU 89 HD11 LEU 89 13.185 35.119 7.165 723 HD12 LEU 89 HD12 LEU 89 11.696 35.376 8.095 724 HD13 LEU 89 HD13 LEU 89 12.066 36.402 6.692 725 HD21 LEU 89 HD21 LEU 89 11.476 37.479 9.560 726 HD22 LEU 89 HD22 LEU 89 12.820 38.641 9.592 727 HD23 LEU 89 HD23 LEU 89 11.834 38.470 8.135 728 H LYS 90 H LYS 90 11.207 36.226 11.966 729 HA LYS 90 HA LYS 90 10.038 33.633 11.791 730 HB2 LYS 90 HB2 LYS 90 9.477 35.560 13.413 731 HB3 LYS 90 HB3 LYS 90 8.602 36.324 12.092 732 HG2 LYS 90 HG2 LYS 90 7.026 35.264 13.518 733 HG3 LYS 90 HG3 LYS 90 7.051 34.317 12.034 734 HD2 LYS 90 HD2 LYS 90 8.458 32.634 13.070 735 HD3 LYS 90 HD3 LYS 90 8.613 33.601 14.526 736 HE2 LYS 90 HE2 LYS 90 7.151 31.829 15.032 737 HE3 LYS 90 HE3 LYS 90 6.152 33.272 15.011 738 HZ1 LYS 90 HZ1 LYS 90 5.100 32.532 13.056 739 HZ2 LYS 90 HZ2 LYS 90 6.318 31.553 12.581 740 HZ3 LYS 90 HZ3 LYS 90 5.412 31.104 13.836 741 H LEU 91 H LEU 91 9.889 36.203 9.362 742 HA LEU 91 HA LEU 91 7.531 35.758 8.163 743 HB2 LEU 91 HB2 LEU 91 9.685 37.268 7.586 744 HB3 LEU 91 HB3 LEU 91 9.781 36.130 6.245 745 HG LEU 91 HG LEU 91 7.403 37.905 6.953 746 HD11 LEU 91 HD11 LEU 91 9.414 38.062 4.670 747 HD12 LEU 91 HD12 LEU 91 8.029 39.144 4.931 748 HD13 LEU 91 HD13 LEU 91 9.365 39.127 6.094 749 HD21 LEU 91 HD21 LEU 91 6.561 37.281 4.678 750 HD22 LEU 91 HD22 LEU 91 7.821 36.029 4.591 751 HD23 LEU 91 HD23 LEU 91 6.537 35.941 5.821 752 H SER 92 H SER 92 10.388 33.720 7.560 753 HA SER 92 HA SER 92 9.290 32.015 5.537 754 HB2 SER 92 HB2 SER 92 11.726 32.283 6.313 755 HB3 SER 92 HB3 SER 92 11.270 31.452 7.810 756 HG SER 92 HG SER 92 11.318 30.402 5.158 757 H ILE 93 H ILE 93 8.741 32.014 8.962 758 HA ILE 93 HA ILE 93 7.021 29.614 8.750 759 HB ILE 93 HB ILE 93 9.341 29.527 9.888 760 HG12 ILE 93 HG12 ILE 93 7.536 27.748 9.935 761 HG13 ILE 93 HG13 ILE 93 8.832 27.718 11.105 762 HG21 ILE 93 HG21 ILE 93 9.179 31.477 11.253 763 HG22 ILE 93 HG22 ILE 93 7.912 30.676 12.227 764 HG23 ILE 93 HG23 ILE 93 9.556 30.010 12.167 765 HD11 ILE 93 HD11 ILE 93 6.038 28.712 11.763 766 HD12 ILE 93 HD12 ILE 93 6.646 27.095 12.093 767 HD13 ILE 93 HD13 ILE 93 7.383 28.483 12.897 768 H GLN 94 H GLN 94 6.740 32.754 8.620 769 HA GLN 94 HA GLN 94 4.542 33.222 10.474 770 HB2 GLN 94 HB2 GLN 94 5.602 34.700 8.052 771 HB3 GLN 94 HB3 GLN 94 3.987 35.027 8.646 772 HG2 GLN 94 HG2 GLN 94 4.893 35.567 10.899 773 HG3 GLN 94 HG3 GLN 94 6.527 35.378 10.244 774 HE21 GLN 94 HE21 GLN 94 4.453 38.623 8.769 775 HE22 GLN 94 HE22 GLN 94 3.564 37.117 8.963 776 H TYR 95 H TYR 95 5.017 31.803 7.307 777 HA TYR 95 HA TYR 95 2.531 31.489 6.196 778 HB2 TYR 95 HB2 TYR 95 4.627 30.462 5.402 779 HB3 TYR 95 HB3 TYR 95 4.634 29.354 6.751 780 HD1 TYR 95 HD1 TYR 95 2.835 30.268 3.616 781 HD2 TYR 95 HD2 TYR 95 3.349 27.307 6.716 782 HE1 TYR 95 HE1 TYR 95 1.505 28.630 2.280 783 HE2 TYR 95 HE2 TYR 95 2.031 25.673 5.369 784 HH TYR 95 HH TYR 95 0.663 26.527 2.177 785 H MET 96 H MET 96 3.570 29.806 9.185 786 HA MET 96 HA MET 96 1.266 28.233 9.676 787 HB2 MET 96 HB2 MET 96 3.468 29.454 11.402 788 HB3 MET 96 HB3 MET 96 2.207 28.414 12.074 789 HG2 MET 96 HG2 MET 96 4.110 27.040 11.644 790 HG3 MET 96 HG3 MET 96 2.811 26.587 10.548 791 HE1 MET 96 HE1 MET 96 5.983 25.708 8.455 792 HE2 MET 96 HE2 MET 96 5.652 25.463 10.183 793 HE3 MET 96 HE3 MET 96 4.375 25.158 8.985 794 H ILE 97 H ILE 97 1.799 31.692 10.323 795 HA ILE 97 HA ILE 97 -0.240 31.929 12.299 796 HB ILE 97 HB ILE 97 1.562 33.708 11.600 797 HG12 ILE 97 HG12 ILE 97 -1.041 35.087 12.219 798 HG13 ILE 97 HG13 ILE 97 -0.637 33.769 13.269 799 HG21 ILE 97 HG21 ILE 97 -0.842 34.767 10.022 800 HG22 ILE 97 HG22 ILE 97 0.732 35.562 10.234 801 HG23 ILE 97 HG23 ILE 97 0.589 34.096 9.249 802 HD11 ILE 97 HD11 ILE 97 1.111 36.185 12.745 803 HD12 ILE 97 HD12 ILE 97 0.171 35.800 14.212 804 HD13 ILE 97 HD13 ILE 97 1.568 34.799 13.768 805 H GLN 98 H GLN 98 -0.538 31.590 8.842 806 HA GLN 98 HA GLN 98 -3.136 32.707 8.526 807 HB2 GLN 98 HB2 GLN 98 -1.837 30.385 7.042 808 HB3 GLN 98 HB3 GLN 98 -3.281 31.271 6.533 809 HG2 GLN 98 HG2 GLN 98 -1.931 33.384 6.463 810 HG3 GLN 98 HG3 GLN 98 -0.480 32.449 6.827 811 HE21 GLN 98 HE21 GLN 98 -0.404 32.797 3.177 812 HE22 GLN 98 HE22 GLN 98 -0.103 33.773 4.608 813 H LYS 99 H LYS 99 -2.143 29.780 10.136 814 HA LYS 99 HA LYS 99 -4.902 28.715 10.262 815 HB2 LYS 99 HB2 LYS 99 -2.197 27.745 11.327 816 HB3 LYS 99 HB3 LYS 99 -3.692 26.926 11.710 817 HG2 LYS 99 HG2 LYS 99 -2.709 27.474 8.859 818 HG3 LYS 99 HG3 LYS 99 -2.424 25.977 9.731 819 HD2 LYS 99 HD2 LYS 99 -4.689 25.337 9.672 820 HD3 LYS 99 HD3 LYS 99 -5.291 26.958 9.396 821 HE2 LYS 99 HE2 LYS 99 -4.427 27.018 7.128 822 HE3 LYS 99 HE3 LYS 99 -3.685 25.429 7.311 823 HZ1 LYS 99 HZ1 LYS 99 -5.906 24.484 7.603 824 HZ2 LYS 99 HZ2 LYS 99 -6.607 25.974 7.537 825 HZ3 LYS 99 HZ3 LYS 99 -5.886 25.349 6.208 826 H VAL 100 H VAL 100 -2.596 30.274 12.454 827 HA VAL 100 HA VAL 100 -4.397 30.312 14.681 828 HB VAL 100 HB VAL 100 -1.918 31.635 13.843 829 HG11 VAL 100 HG11 VAL 100 -1.929 33.542 15.371 830 HG12 VAL 100 HG12 VAL 100 -3.061 33.757 14.044 831 HG13 VAL 100 HG13 VAL 100 -3.670 33.311 15.659 832 HG21 VAL 100 HG21 VAL 100 -1.448 31.307 16.302 833 HG22 VAL 100 HG22 VAL 100 -3.134 30.847 16.526 834 HG23 VAL 100 HG23 VAL 100 -2.093 29.846 15.528 835 H MET 101 H MET 101 -3.933 32.551 11.989 836 HA MET 101 HA MET 101 -6.182 34.152 12.581 837 HB2 MET 101 HB2 MET 101 -4.500 33.783 10.100 838 HB3 MET 101 HB3 MET 101 -5.841 34.940 10.192 839 HG2 MET 101 HG2 MET 101 -4.522 35.593 12.468 840 HG3 MET 101 HG3 MET 101 -3.173 35.009 11.506 841 HE1 MET 101 HE1 MET 101 -3.280 37.450 8.398 842 HE2 MET 101 HE2 MET 101 -2.402 36.122 9.186 843 HE3 MET 101 HE3 MET 101 -4.029 35.846 8.514 844 H GLU 102 H GLU 102 -6.311 30.953 11.658 845 HA GLU 102 HA GLU 102 -8.764 31.275 10.097 846 HB2 GLU 102 HB2 GLU 102 -7.235 29.600 9.257 847 HB3 GLU 102 HB3 GLU 102 -7.317 28.681 10.755 848 HG2 GLU 102 HG2 GLU 102 -9.566 28.040 10.396 849 HG3 GLU 102 HG3 GLU 102 -9.866 29.377 9.286 850 H TYR 103 H TYR 103 -8.305 28.931 12.766 851 HA TYR 103 HA TYR 103 -11.127 29.478 13.437 852 HB2 TYR 103 HB2 TYR 103 -10.304 27.143 12.975 853 HB3 TYR 103 HB3 TYR 103 -9.355 27.236 14.455 854 HD1 TYR 103 HD1 TYR 103 -12.688 26.769 13.032 855 HD2 TYR 103 HD2 TYR 103 -10.496 27.393 16.695 856 HE1 TYR 103 HE1 TYR 103 -14.670 26.024 14.352 857 HE2 TYR 103 HE2 TYR 103 -12.474 26.660 18.008 858 HH TYR 103 HH TYR 103 -14.796 26.322 17.864 859 H LEU 104 H LEU 104 -7.967 29.379 14.945 860 HA LEU 104 HA LEU 104 -8.632 29.953 17.640 861 HB2 LEU 104 HB2 LEU 104 -6.655 28.860 16.879 862 HB3 LEU 104 HB3 LEU 104 -6.197 30.176 15.848 863 HG LEU 104 HG LEU 104 -4.726 29.889 17.746 864 HD11 LEU 104 HD11 LEU 104 -6.093 32.518 18.359 865 HD12 LEU 104 HD12 LEU 104 -4.376 32.148 18.140 866 HD13 LEU 104 HD13 LEU 104 -5.439 32.260 16.729 867 HD21 LEU 104 HD21 LEU 104 -6.330 29.058 19.372 868 HD22 LEU 104 HD22 LEU 104 -5.424 30.433 20.027 869 HD23 LEU 104 HD23 LEU 104 -7.102 30.661 19.495 870 H LYS 105 H LYS 105 -8.139 32.105 14.868 871 HA LYS 105 HA LYS 105 -8.200 34.582 16.229 872 HB2 LYS 105 HB2 LYS 105 -7.914 33.737 13.616 873 HB3 LYS 105 HB3 LYS 105 -9.513 34.419 13.533 874 HG2 LYS 105 HG2 LYS 105 -8.561 36.506 14.710 875 HG3 LYS 105 HG3 LYS 105 -6.950 35.798 14.447 876 HD2 LYS 105 HD2 LYS 105 -7.355 35.796 12.006 877 HD3 LYS 105 HD3 LYS 105 -9.000 36.407 12.270 878 HE2 LYS 105 HE2 LYS 105 -8.092 38.472 13.278 879 HE3 LYS 105 HE3 LYS 105 -6.441 37.866 13.102 880 HZ1 LYS 105 HZ1 LYS 105 -6.697 37.954 10.701 881 HZ2 LYS 105 HZ2 LYS 105 -8.267 38.406 10.823 882 HZ3 LYS 105 HZ3 LYS 105 -7.091 39.405 11.315 883 H SER 106 H SER 106 -10.878 32.683 14.931 884 HA SER 106 HA SER 106 -12.821 34.743 15.153 885 HB2 SER 106 HB2 SER 106 -12.975 32.914 13.544 886 HB3 SER 106 HB3 SER 106 -13.264 31.755 14.861 887 HG SER 106 HG SER 106 -15.171 32.636 13.783 888 H SER 107 H SER 107 -13.583 35.619 16.994 889 HA SER 107 HA SER 107 -13.729 34.235 19.482 890 HB2 SER 107 HB2 SER 107 -14.963 36.128 20.304 891 HB3 SER 107 HB3 SER 107 -13.493 36.624 19.442 892 HG SER 107 HG SER 107 -15.320 37.889 18.841 893 H LYS 108 H LYS 108 -15.801 33.915 16.799 894 HA LYS 108 HA LYS 108 -18.277 33.234 18.136 895 HB2 LYS 108 HB2 LYS 108 -17.084 32.068 15.580 896 HB3 LYS 108 HB3 LYS 108 -18.757 31.915 16.098 897 HG2 LYS 108 HG2 LYS 108 -17.375 34.520 15.318 898 HG3 LYS 108 HG3 LYS 108 -18.505 33.592 14.335 899 HD2 LYS 108 HD2 LYS 108 -20.290 33.970 16.053 900 HD3 LYS 108 HD3 LYS 108 -19.156 34.983 16.974 901 HE2 LYS 108 HE2 LYS 108 -18.911 36.489 15.009 902 HE3 LYS 108 HE3 LYS 108 -20.042 35.485 14.098 903 HZ1 LYS 108 HZ1 LYS 108 -20.701 36.986 16.571 904 HZ2 LYS 108 HZ2 LYS 108 -21.164 37.383 15.062 905 HZ3 LYS 108 HZ3 LYS 108 -21.748 36.032 15.754 906 H SER 109 H SER 109 -15.189 31.722 18.205 907 HA SER 109 HA SER 109 -16.314 29.793 20.056 908 HB2 SER 109 HB2 SER 109 -16.108 28.569 17.888 909 HB3 SER 109 HB3 SER 109 -14.381 28.964 17.849 910 HG SER 109 HG SER 109 -14.270 27.863 19.917 911 H LEU 110 H LEU 110 -14.826 32.309 20.444 912 HA LEU 110 HA LEU 110 -13.022 31.192 22.398 913 HB2 LEU 110 HB2 LEU 110 -11.748 31.509 20.110 914 HB3 LEU 110 HB3 LEU 110 -11.796 33.219 20.502 915 HG LEU 110 HG LEU 110 -10.531 32.761 22.618 916 HD11 LEU 110 HD11 LEU 110 -9.444 30.402 22.689 917 HD12 LEU 110 HD12 LEU 110 -11.117 30.513 23.229 918 HD13 LEU 110 HD13 LEU 110 -10.738 29.900 21.603 919 HD21 LEU 110 HD21 LEU 110 -9.227 31.489 20.202 920 HD22 LEU 110 HD22 LEU 110 -9.339 33.234 20.495 921 HD23 LEU 110 HD23 LEU 110 -8.402 32.211 21.597 922 H ASP 111 H ASP 111 -12.823 32.413 24.224 923 HA ASP 111 HA ASP 111 -14.273 34.901 24.479 924 HB2 ASP 111 HB2 ASP 111 -12.385 33.488 26.391 925 HB3 ASP 111 HB3 ASP 111 -13.351 34.913 26.775 926 H LEU 112 H LEU 112 -13.466 36.931 24.716 927 HA LEU 112 HA LEU 112 -11.194 37.740 23.258 928 HB2 LEU 112 HB2 LEU 112 -12.686 39.122 25.527 929 HB3 LEU 112 HB3 LEU 112 -11.423 39.918 24.605 930 HG LEU 112 HG LEU 112 -13.872 38.707 23.252 931 HD11 LEU 112 HD11 LEU 112 -13.452 41.566 24.224 932 HD12 LEU 112 HD12 LEU 112 -14.826 40.983 23.246 933 HD13 LEU 112 HD13 LEU 112 -14.594 40.387 24.902 934 HD21 LEU 112 HD21 LEU 112 -11.866 40.844 22.384 935 HD22 LEU 112 HD22 LEU 112 -11.966 39.184 21.755 936 HD23 LEU 112 HD23 LEU 112 -13.290 40.319 21.457 937 H ASN 113 H ASN 113 -11.435 37.451 26.793 938 HA ASN 113 HA ASN 113 -8.805 38.319 27.270 939 HB2 ASN 113 HB2 ASN 113 -10.485 36.340 28.882 940 HB3 ASN 113 HB3 ASN 113 -9.035 37.129 29.494 941 HD21 ASN 113 HD21 ASN 113 -12.306 39.033 30.306 942 HD22 ASN 113 HD22 ASN 113 -12.068 37.293 30.208 943 H THR 114 H THR 114 -9.942 35.137 26.272 944 HA THR 114 HA THR 114 -7.392 33.742 26.643 945 HB THR 114 HB THR 114 -10.069 33.084 25.385 946 HG1 THR 114 HG1 THR 114 -9.768 32.934 27.650 947 HG21 THR 114 HG21 THR 114 -8.433 32.052 23.956 948 HG22 THR 114 HG22 THR 114 -7.551 31.399 25.354 949 HG23 THR 114 HG23 THR 114 -9.207 30.829 24.983 950 H ARG 115 H ARG 115 -9.246 34.902 23.756 951 HA ARG 115 HA ARG 115 -7.393 34.627 21.688 952 HB2 ARG 115 HB2 ARG 115 -9.699 35.648 21.517 953 HB3 ARG 115 HB3 ARG 115 -9.124 37.057 22.369 954 HG2 ARG 115 HG2 ARG 115 -9.140 37.768 20.185 955 HG3 ARG 115 HG3 ARG 115 -7.423 37.453 20.441 956 HD2 ARG 115 HD2 ARG 115 -9.120 35.178 19.486 957 HD3 ARG 115 HD3 ARG 115 -8.946 36.513 18.365 958 HE ARG 115 HE ARG 115 -6.885 34.585 19.172 959 HH11 ARG 115 HH11 ARG 115 -7.421 37.690 17.621 960 HH12 ARG 115 HH12 ARG 115 -5.993 37.553 16.640 961 HH21 ARG 115 HH21 ARG 115 -5.035 34.524 17.908 962 HH22 ARG 115 HH22 ARG 115 -4.733 35.793 16.762 963 H ILE 116 H ILE 116 -7.634 37.358 23.805 964 HA ILE 116 HA ILE 116 -5.371 38.842 23.092 965 HB ILE 116 HB ILE 116 -7.046 38.561 25.559 966 HG12 ILE 116 HG12 ILE 116 -6.377 40.932 23.743 967 HG13 ILE 116 HG13 ILE 116 -7.692 39.808 23.431 968 HG21 ILE 116 HG21 ILE 116 -4.963 38.892 26.618 969 HG22 ILE 116 HG22 ILE 116 -4.562 40.270 25.552 970 HG23 ILE 116 HG23 ILE 116 -5.895 40.383 26.728 971 HD11 ILE 116 HD11 ILE 116 -7.502 41.698 25.808 972 HD12 ILE 116 HD12 ILE 116 -8.644 41.751 24.458 973 HD13 ILE 116 HD13 ILE 116 -8.734 40.423 25.633 974 H SER 117 H SER 117 -5.532 36.144 25.353 975 HA SER 117 HA SER 117 -2.845 36.425 26.388 976 HB2 SER 117 HB2 SER 117 -4.724 34.031 26.478 977 HB3 SER 117 HB3 SER 117 -3.223 34.214 27.391 978 HG SER 117 HG SER 117 -5.592 35.788 27.604 979 H VAL 118 H VAL 118 -4.014 35.407 23.434 980 HA VAL 118 HA VAL 118 -1.657 33.715 22.740 981 HB VAL 118 HB VAL 118 -4.335 34.041 21.322 982 HG11 VAL 118 HG11 VAL 118 -3.474 31.988 20.116 983 HG12 VAL 118 HG12 VAL 118 -2.716 33.561 19.726 984 HG13 VAL 118 HG13 VAL 118 -1.872 32.389 20.770 985 HG21 VAL 118 HG21 VAL 118 -4.853 31.802 22.116 986 HG22 VAL 118 HG22 VAL 118 -3.331 31.758 23.050 987 HG23 VAL 118 HG23 VAL 118 -4.622 32.917 23.462 988 H ILE 119 H ILE 119 -3.737 36.243 21.179 989 HA ILE 119 HA ILE 119 -1.926 37.043 19.304 990 HB ILE 119 HB ILE 119 -4.417 37.633 19.785 991 HG12 ILE 119 HG12 ILE 119 -4.416 39.567 18.394 992 HG13 ILE 119 HG13 ILE 119 -2.706 39.910 18.732 993 HG21 ILE 119 HG21 ILE 119 -5.100 39.408 20.959 994 HG22 ILE 119 HG22 ILE 119 -3.713 38.896 21.952 995 HG23 ILE 119 HG23 ILE 119 -3.525 40.266 20.877 996 HD11 ILE 119 HD11 ILE 119 -3.509 37.294 17.470 997 HD12 ILE 119 HD12 ILE 119 -3.336 38.765 16.470 998 HD13 ILE 119 HD13 ILE 119 -1.957 38.138 17.395 999 H GLU 120 H GLU 120 -1.771 38.063 22.750 1000 HA GLU 120 HA GLU 120 0.329 39.950 22.226 1001 HB2 GLU 120 HB2 GLU 120 -0.671 38.604 24.732 1002 HB3 GLU 120 HB3 GLU 120 0.769 39.644 24.728 1003 HG2 GLU 120 HG2 GLU 120 -0.522 41.456 23.641 1004 HG3 GLU 120 HG3 GLU 120 -1.995 40.486 23.752 1005 H THR 121 H THR 121 0.517 36.462 23.098 1006 HA THR 121 HA THR 121 3.458 36.500 23.119 1007 HB THR 121 HB THR 121 2.508 34.792 24.377 1008 HG1 THR 121 HG1 THR 121 3.195 33.269 22.162 1009 HG21 THR 121 HG21 THR 121 1.197 32.919 23.511 1010 HG22 THR 121 HG22 THR 121 0.336 34.453 23.408 1011 HG23 THR 121 HG23 THR 121 1.048 33.745 21.938 1012 H ILE 122 H ILE 122 0.976 35.821 20.633 1013 HA ILE 122 HA ILE 122 2.864 35.424 18.520 1014 HB ILE 122 HB ILE 122 -0.024 35.977 18.751 1015 HG12 ILE 122 HG12 ILE 122 -0.009 34.282 16.856 1016 HG13 ILE 122 HG13 ILE 122 1.760 34.228 16.979 1017 HG21 ILE 122 HG21 ILE 122 1.378 36.789 16.190 1018 HG22 ILE 122 HG22 ILE 122 -0.378 36.544 16.417 1019 HG23 ILE 122 HG23 ILE 122 0.428 37.834 17.293 1020 HD11 ILE 122 HD11 ILE 122 0.609 32.389 18.227 1021 HD12 ILE 122 HD12 ILE 122 1.568 33.414 19.303 1022 HD13 ILE 122 HD13 ILE 122 -0.200 33.585 19.249 1023 H ARG 123 H ARG 123 1.584 38.512 19.860 1024 HA ARG 123 HA ARG 123 3.024 40.179 18.025 1025 HB2 ARG 123 HB2 ARG 123 1.861 40.654 20.783 1026 HB3 ARG 123 HB3 ARG 123 2.805 41.900 19.962 1027 HG2 ARG 123 HG2 ARG 123 1.294 42.071 18.162 1028 HG3 ARG 123 HG3 ARG 123 0.497 40.540 18.532 1029 HD2 ARG 123 HD2 ARG 123 -0.388 41.498 20.637 1030 HD3 ARG 123 HD3 ARG 123 0.388 43.051 20.252 1031 HE ARG 123 HE ARG 123 -1.227 42.373 18.041 1032 HH11 ARG 123 HH11 ARG 123 -1.804 43.231 21.399 1033 HH12 ARG 123 HH12 ARG 123 -3.416 43.796 21.045 1034 HH21 ARG 123 HH21 ARG 123 -3.258 43.160 17.689 1035 HH22 ARG 123 HH22 ARG 123 -4.195 43.770 19.026 1036 H VAL 124 H VAL 124 4.107 39.101 21.361 1037 HA VAL 124 HA VAL 124 6.640 40.326 20.955 1038 HB VAL 124 HB VAL 124 7.354 38.943 22.894 1039 HG11 VAL 124 HG11 VAL 124 4.840 40.602 23.262 1040 HG12 VAL 124 HG12 VAL 124 6.053 40.253 24.509 1041 HG13 VAL 124 HG13 VAL 124 6.493 41.247 23.113 1042 HG21 VAL 124 HG21 VAL 124 6.008 37.698 24.242 1043 HG22 VAL 124 HG22 VAL 124 4.548 38.194 23.403 1044 HG23 VAL 124 HG23 VAL 124 5.700 37.069 22.614 1045 H VAL 125 H VAL 125 5.578 37.078 19.971 1046 HA VAL 125 HA VAL 125 8.365 36.413 19.287 1047 HB VAL 125 HB VAL 125 6.676 34.840 20.397 1048 HG11 VAL 125 HG11 VAL 125 4.947 35.147 18.534 1049 HG12 VAL 125 HG12 VAL 125 5.985 34.110 17.534 1050 HG13 VAL 125 HG13 VAL 125 5.292 33.483 19.041 1051 HG21 VAL 125 HG21 VAL 125 8.916 34.129 19.715 1052 HG22 VAL 125 HG22 VAL 125 7.722 32.855 19.429 1053 HG23 VAL 125 HG23 VAL 125 8.333 33.804 18.066 1054 H THR 126 H THR 126 5.784 37.902 17.553 1055 HA THR 126 HA THR 126 7.297 37.409 15.004 1056 HB THR 126 HB THR 126 5.335 37.075 13.735 1057 HG1 THR 126 HG1 THR 126 3.784 37.754 15.992 1058 HG21 THR 126 HG21 THR 126 4.231 35.163 14.521 1059 HG22 THR 126 HG22 THR 126 5.774 35.131 15.414 1060 HG23 THR 126 HG23 THR 126 4.289 35.676 16.213 1061 H GLU 127 H GLU 127 5.370 39.834 16.740 1062 HA GLU 127 HA GLU 127 5.948 41.759 14.559 1063 HB2 GLU 127 HB2 GLU 127 4.412 42.193 17.148 1064 HB3 GLU 127 HB3 GLU 127 4.647 43.348 15.828 1065 HG2 GLU 127 HG2 GLU 127 3.587 41.570 14.282 1066 HG3 GLU 127 HG3 GLU 127 3.067 40.749 15.757 1067 H ASN 128 H ASN 128 7.759 40.443 16.951 1068 HA ASN 128 HA ASN 128 9.492 42.785 17.021 1069 HB2 ASN 128 HB2 ASN 128 7.827 42.756 19.010 1070 HB3 ASN 128 HB3 ASN 128 8.727 41.369 19.615 1071 HD21 ASN 128 HD21 ASN 128 9.964 44.533 21.210 1072 HD22 ASN 128 HD22 ASN 128 8.399 43.745 21.100 1073 H LYS 129 H LYS 129 11.596 42.476 17.313 1074 HA LYS 129 HA LYS 129 12.888 39.860 16.888 1075 HB2 LYS 129 HB2 LYS 129 13.571 42.082 15.870 1076 HB3 LYS 129 HB3 LYS 129 14.030 42.618 17.482 1077 HG2 LYS 129 HG2 LYS 129 16.009 41.978 16.411 1078 HG3 LYS 129 HG3 LYS 129 15.672 40.694 17.569 1079 HD2 LYS 129 HD2 LYS 129 14.895 39.210 15.789 1080 HD3 LYS 129 HD3 LYS 129 15.002 40.534 14.601 1081 HE2 LYS 129 HE2 LYS 129 17.446 40.712 15.030 1082 HE3 LYS 129 HE3 LYS 129 17.351 39.373 16.175 1083 HZ1 LYS 129 HZ1 LYS 129 18.085 38.679 13.959 1084 HZ2 LYS 129 HZ2 LYS 129 16.706 37.916 14.356 1085 HZ3 LYS 129 HZ3 LYS 129 16.683 39.163 13.287 1086 H ILE 130 H ILE 130 12.128 41.926 19.530 1087 HA ILE 130 HA ILE 130 12.512 42.185 21.634 1088 HB ILE 130 HB ILE 130 12.597 40.338 23.207 1089 HG12 ILE 130 HG12 ILE 130 12.333 38.433 20.866 1090 HG13 ILE 130 HG13 ILE 130 13.851 38.700 21.739 1091 HG21 ILE 130 HG21 ILE 130 10.308 39.631 22.780 1092 HG22 ILE 130 HG22 ILE 130 10.513 41.332 22.373 1093 HG23 ILE 130 HG23 ILE 130 10.446 40.109 21.076 1094 HD11 ILE 130 HD11 ILE 130 11.284 37.576 22.923 1095 HD12 ILE 130 HD12 ILE 130 12.787 36.708 22.594 1096 HD13 ILE 130 HD13 ILE 130 12.755 37.960 23.852 1097 H PHE 131 H PHE 131 13.843 42.847 23.079 1098 HA PHE 131 HA PHE 131 16.539 41.847 23.404 1099 HB2 PHE 131 HB2 PHE 131 16.727 43.385 21.437 1100 HB3 PHE 131 HB3 PHE 131 16.092 44.691 22.412 1101 HD1 PHE 131 HD1 PHE 131 17.697 46.184 23.291 1102 HD2 PHE 131 HD2 PHE 131 18.832 42.088 22.559 1103 HE1 PHE 131 HE1 PHE 131 20.028 46.702 23.971 1104 HE2 PHE 131 HE2 PHE 131 21.154 42.609 23.255 1105 HZ PHE 131 HZ PHE 131 21.759 44.917 23.960 1106 H VAL 132 H VAL 132 14.765 41.493 25.238 1107 HA VAL 132 HA VAL 132 14.070 43.614 26.973 1108 HB VAL 132 HB VAL 132 12.806 41.614 26.886 1109 HG11 VAL 132 HG11 VAL 132 13.539 39.463 27.864 1110 HG12 VAL 132 HG12 VAL 132 14.556 39.902 26.492 1111 HG13 VAL 132 HG13 VAL 132 15.163 40.136 28.147 1112 HG21 VAL 132 HG21 VAL 132 12.339 41.164 29.169 1113 HG22 VAL 132 HG22 VAL 132 13.928 41.732 29.686 1114 HG23 VAL 132 HG23 VAL 132 12.738 42.878 29.001 1115 H GLU 133 H GLU 133 14.679 43.887 29.106 1116 HA GLU 133 HA GLU 133 17.473 44.441 29.213 1117 HB2 GLU 133 HB2 GLU 133 15.296 45.001 31.261 1118 HB3 GLU 133 HB3 GLU 133 16.964 45.588 31.375 1119 HG2 GLU 133 HG2 GLU 133 16.680 46.763 29.196 1120 HG3 GLU 133 HG3 GLU 133 14.975 46.290 29.170 1121 H VAL 134 H VAL 134 18.993 43.910 30.786 1122 HA VAL 134 HA VAL 134 18.615 41.870 32.786 1123 HB VAL 134 HB VAL 134 18.986 40.635 30.687 1124 HG11 VAL 134 HG11 VAL 134 20.422 42.199 29.443 1125 HG12 VAL 134 HG12 VAL 134 21.766 41.871 30.558 1126 HG13 VAL 134 HG13 VAL 134 21.110 40.578 29.550 1127 HG21 VAL 134 HG21 VAL 134 19.721 39.746 32.901 1128 HG22 VAL 134 HG22 VAL 134 20.502 39.065 31.476 1129 HG23 VAL 134 HG23 VAL 134 21.386 40.211 32.478 1130 H GLU 135 H GLU 135 21.524 41.897 32.546 1131 HA GLU 135 HA GLU 135 22.112 43.965 34.511 1132 HB2 GLU 135 HB2 GLU 135 23.938 41.866 33.297 1133 HB3 GLU 135 HB3 GLU 135 24.368 42.925 34.637 1134 HG2 GLU 135 HG2 GLU 135 22.205 40.789 34.641 1135 HG3 GLU 135 HG3 GLU 135 23.774 40.703 35.431 1136 H ARG 136 H ARG 136 21.416 45.516 32.604 1137 HA ARG 136 HA ARG 136 23.904 46.897 31.783 1138 HB2 ARG 136 HB2 ARG 136 23.272 47.257 29.530 1139 HB3 ARG 136 HB3 ARG 136 23.245 45.519 29.820 1140 HG2 ARG 136 HG2 ARG 136 20.748 45.601 29.982 1141 HG3 ARG 136 HG3 ARG 136 20.798 47.352 29.710 1142 HD2 ARG 136 HD2 ARG 136 21.981 46.912 27.523 1143 HD3 ARG 136 HD3 ARG 136 21.678 45.191 27.752 1144 HE ARG 136 HE ARG 136 19.671 47.356 27.279 1145 HH11 ARG 136 HH11 ARG 136 17.691 46.856 26.599 1146 HH12 ARG 136 HH12 ARG 136 17.241 45.205 26.293 1147 HH21 ARG 136 HH21 ARG 136 18.527 43.558 27.019 1148 HH22 ARG 136 HH22 ARG 136 20.201 43.887 27.397 Start of MODEL 10 1 H1 MET 1 H1 MET 1 24.437 23.310 -15.330 2 H2 MET 1 H2 MET 1 23.647 24.729 -15.554 3 H3 MET 1 H3 MET 1 23.344 23.826 -14.221 4 HA MET 1 HA MET 1 22.737 23.049 -16.981 5 HB2 MET 1 HB2 MET 1 21.699 21.079 -16.157 6 HB3 MET 1 HB3 MET 1 23.309 21.122 -15.462 7 HG2 MET 1 HG2 MET 1 20.720 21.861 -14.021 8 HG3 MET 1 HG3 MET 1 21.594 20.346 -13.878 9 HE1 MET 1 HE1 MET 1 22.062 21.894 -10.342 10 HE2 MET 1 HE2 MET 1 20.629 22.022 -11.391 11 HE3 MET 1 HE3 MET 1 21.523 20.488 -11.277 12 H SER 2 H SER 2 20.368 22.848 -17.400 13 HA SER 2 HA SER 2 18.968 25.236 -16.771 14 HB2 SER 2 HB2 SER 2 17.866 22.612 -17.831 15 HB3 SER 2 HB3 SER 2 17.086 24.206 -17.940 16 HG SER 2 HG SER 2 18.210 23.671 -19.852 17 H ARG 3 H ARG 3 17.051 25.609 -15.623 18 HA ARG 3 HA ARG 3 16.840 24.284 -13.042 19 HB2 ARG 3 HB2 ARG 3 16.726 26.786 -13.512 20 HB3 ARG 3 HB3 ARG 3 15.127 26.528 -14.184 21 HG2 ARG 3 HG2 ARG 3 14.961 27.368 -11.932 22 HG3 ARG 3 HG3 ARG 3 14.344 25.719 -11.936 23 HD2 ARG 3 HD2 ARG 3 16.413 24.886 -10.938 24 HD3 ARG 3 HD3 ARG 3 17.177 26.481 -11.100 25 HE ARG 3 HE ARG 3 14.811 26.816 -9.569 26 HH11 ARG 3 HH11 ARG 3 17.928 25.241 -9.136 27 HH12 ARG 3 HH12 ARG 3 17.906 25.519 -7.415 28 HH21 ARG 3 HH21 ARG 3 14.882 27.130 -7.380 29 HH22 ARG 3 HH22 ARG 3 16.250 26.555 -6.463 30 H ASP 4 H ASP 4 16.323 22.291 -14.592 31 HA ASP 4 HA ASP 4 13.495 21.894 -15.206 32 HB2 ASP 4 HB2 ASP 4 15.792 19.900 -15.067 33 HB3 ASP 4 HB3 ASP 4 14.182 19.561 -15.691 34 H ALA 5 H ALA 5 12.150 20.249 -14.298 35 HA ALA 5 HA ALA 5 10.856 19.607 -12.553 36 HB1 ALA 5 HB1 ALA 5 11.854 17.873 -11.150 37 HB2 ALA 5 HB2 ALA 5 12.350 17.698 -12.838 38 HB3 ALA 5 HB3 ALA 5 13.483 18.377 -11.652 39 HA PRO 6 HA PRO 6 12.266 23.210 -9.957 40 HB2 PRO 6 HB2 PRO 6 9.383 24.031 -10.245 41 HB3 PRO 6 HB3 PRO 6 10.861 25.032 -10.357 42 HG2 PRO 6 HG2 PRO 6 9.533 24.307 -12.604 43 HG3 PRO 6 HG3 PRO 6 11.324 24.238 -12.564 44 HD2 PRO 6 HD2 PRO 6 9.358 21.971 -12.078 45 HD3 PRO 6 HD3 PRO 6 10.753 22.018 -13.195 46 H ILE 7 H ILE 7 11.857 23.666 -7.716 47 HA ILE 7 HA ILE 7 10.662 21.406 -6.377 48 HB ILE 7 HB ILE 7 12.147 23.670 -4.999 49 HG12 ILE 7 HG12 ILE 7 14.021 21.709 -5.130 50 HG13 ILE 7 HG13 ILE 7 13.210 21.365 -6.652 51 HG21 ILE 7 HG21 ILE 7 12.623 21.928 -3.315 52 HG22 ILE 7 HG22 ILE 7 10.887 22.091 -3.520 53 HG23 ILE 7 HG23 ILE 7 11.737 20.728 -4.274 54 HD11 ILE 7 HD11 ILE 7 14.441 24.033 -5.791 55 HD12 ILE 7 HD12 ILE 7 15.156 22.866 -6.917 56 HD13 ILE 7 HD13 ILE 7 13.679 23.732 -7.369 57 H LYS 8 H LYS 8 8.590 22.296 -7.335 58 HA LYS 8 HA LYS 8 7.050 24.223 -5.755 59 HB2 LYS 8 HB2 LYS 8 5.176 23.499 -7.169 60 HB3 LYS 8 HB3 LYS 8 6.603 23.927 -8.116 61 HG2 LYS 8 HG2 LYS 8 7.136 21.461 -8.319 62 HG3 LYS 8 HG3 LYS 8 5.625 21.104 -7.463 63 HD2 LYS 8 HD2 LYS 8 4.334 22.206 -9.267 64 HD3 LYS 8 HD3 LYS 8 5.849 22.653 -10.089 65 HE2 LYS 8 HE2 LYS 8 6.445 20.256 -10.316 66 HE3 LYS 8 HE3 LYS 8 4.947 19.791 -9.500 67 HZ1 LYS 8 HZ1 LYS 8 4.709 19.675 -11.905 68 HZ2 LYS 8 HZ2 LYS 8 3.702 20.814 -11.321 69 HZ3 LYS 8 HZ3 LYS 8 5.079 21.247 -12.080 70 H ALA 9 H ALA 9 7.892 21.027 -5.157 71 HA ALA 9 HA ALA 9 7.139 19.304 -3.959 72 HB1 ALA 9 HB1 ALA 9 6.267 21.444 -2.026 73 HB2 ALA 9 HB2 ALA 9 6.578 19.715 -1.696 74 HB3 ALA 9 HB3 ALA 9 7.914 20.770 -2.207 75 H ASP 10 H ASP 10 5.649 18.961 -5.711 76 HA ASP 10 HA ASP 10 2.799 19.033 -5.358 77 HB2 ASP 10 HB2 ASP 10 4.066 18.518 -7.484 78 HB3 ASP 10 HB3 ASP 10 4.508 16.951 -6.786 79 H LYS 11 H LYS 11 5.305 17.083 -4.005 80 HA LYS 11 HA LYS 11 3.505 15.953 -2.009 81 HB2 LYS 11 HB2 LYS 11 3.922 14.266 -4.016 82 HB3 LYS 11 HB3 LYS 11 5.518 14.074 -3.267 83 HG2 LYS 11 HG2 LYS 11 4.458 13.304 -1.177 84 HG3 LYS 11 HG3 LYS 11 2.849 13.581 -1.882 85 HD2 LYS 11 HD2 LYS 11 3.384 11.939 -3.694 86 HD3 LYS 11 HD3 LYS 11 4.952 11.627 -2.934 87 HE2 LYS 11 HE2 LYS 11 3.798 10.780 -0.896 88 HE3 LYS 11 HE3 LYS 11 2.225 11.138 -1.629 89 HZ1 LYS 11 HZ1 LYS 11 2.821 8.803 -1.934 90 HZ2 LYS 11 HZ2 LYS 11 2.755 9.532 -3.386 91 HZ3 LYS 11 HZ3 LYS 11 4.194 9.190 -2.708 92 H ASP 12 H ASP 12 6.746 16.673 -3.133 93 HA ASP 12 HA ASP 12 8.399 15.631 -1.378 94 HB2 ASP 12 HB2 ASP 12 8.826 18.473 -2.282 95 HB3 ASP 12 HB3 ASP 12 10.040 17.269 -1.907 96 H TYR 13 H TYR 13 9.601 16.135 0.422 97 HA TYR 13 HA TYR 13 9.836 16.463 2.611 98 HB2 TYR 13 HB2 TYR 13 8.318 19.065 2.450 99 HB3 TYR 13 HB3 TYR 13 9.473 18.553 3.662 100 HD1 TYR 13 HD1 TYR 13 9.017 20.165 0.451 101 HD2 TYR 13 HD2 TYR 13 11.929 18.235 2.986 102 HE1 TYR 13 HE1 TYR 13 10.865 21.222 -0.857 103 HE2 TYR 13 HE2 TYR 13 13.766 19.289 1.679 104 HH TYR 13 HH TYR 13 14.302 20.644 -0.062 105 H SER 14 H SER 14 6.455 17.522 1.982 106 HA SER 14 HA SER 14 5.356 16.169 4.267 107 HB2 SER 14 HB2 SER 14 3.188 16.286 2.860 108 HB3 SER 14 HB3 SER 14 3.955 17.806 3.324 109 HG SER 14 HG SER 14 4.560 16.618 0.807 110 H GLN 15 H GLN 15 6.662 14.956 1.423 111 HA GLN 15 HA GLN 15 5.261 12.570 0.885 112 HB2 GLN 15 HB2 GLN 15 7.235 11.888 -0.270 113 HB3 GLN 15 HB3 GLN 15 7.072 13.637 -0.464 114 HG2 GLN 15 HG2 GLN 15 8.732 13.832 1.533 115 HG3 GLN 15 HG3 GLN 15 9.056 12.113 1.267 116 HE21 GLN 15 HE21 GLN 15 10.459 12.895 -2.093 117 HE22 GLN 15 HE22 GLN 15 9.260 11.791 -1.440 118 H ILE 16 H ILE 16 7.449 13.335 3.532 119 HA ILE 16 HA ILE 16 7.891 10.709 4.556 120 HB ILE 16 HB ILE 16 7.677 13.373 6.038 121 HG12 ILE 16 HG12 ILE 16 10.292 12.101 5.204 122 HG13 ILE 16 HG13 ILE 16 9.407 13.138 4.081 123 HG21 ILE 16 HG21 ILE 16 8.808 10.652 6.794 124 HG22 ILE 16 HG22 ILE 16 9.206 12.135 7.683 125 HG23 ILE 16 HG23 ILE 16 7.532 11.555 7.621 126 HD11 ILE 16 HD11 ILE 16 9.393 14.986 5.679 127 HD12 ILE 16 HD12 ILE 16 10.378 14.018 6.813 128 HD13 ILE 16 HD13 ILE 16 11.019 14.487 5.215 129 H LEU 17 H LEU 17 5.464 13.225 5.374 130 HA LEU 17 HA LEU 17 4.008 11.666 7.275 131 HB2 LEU 17 HB2 LEU 17 3.333 14.007 5.480 132 HB3 LEU 17 HB3 LEU 17 2.300 13.476 6.819 133 HG LEU 17 HG LEU 17 5.179 14.257 7.306 134 HD11 LEU 17 HD11 LEU 17 2.882 16.218 7.247 135 HD12 LEU 17 HD12 LEU 17 4.599 16.528 7.613 136 HD13 LEU 17 HD13 LEU 17 4.126 16.045 5.988 137 HD21 LEU 17 HD21 LEU 17 4.356 14.613 9.558 138 HD22 LEU 17 HD22 LEU 17 2.656 14.572 9.012 139 HD23 LEU 17 HD23 LEU 17 3.620 13.095 9.022 140 H LYS 18 H LYS 18 3.849 11.852 3.743 141 HA LYS 18 HA LYS 18 1.364 10.407 3.460 142 HB2 LYS 18 HB2 LYS 18 3.636 10.946 1.547 143 HB3 LYS 18 HB3 LYS 18 2.121 10.173 1.075 144 HG2 LYS 18 HG2 LYS 18 2.260 12.960 2.316 145 HG3 LYS 18 HG3 LYS 18 2.272 12.657 0.575 146 HD2 LYS 18 HD2 LYS 18 0.044 11.558 0.754 147 HD3 LYS 18 HD3 LYS 18 0.023 11.902 2.497 148 HE2 LYS 18 HE2 LYS 18 0.204 14.330 2.041 149 HE3 LYS 18 HE3 LYS 18 0.236 14.005 0.302 150 HZ1 LYS 18 HZ1 LYS 18 -1.988 14.602 1.033 151 HZ2 LYS 18 HZ2 LYS 18 -2.001 13.066 0.509 152 HZ3 LYS 18 HZ3 LYS 18 -2.039 13.389 2.109 153 H GLU 19 H GLU 19 4.735 9.390 3.777 154 HA GLU 19 HA GLU 19 3.980 6.625 3.125 155 HB2 GLU 19 HB2 GLU 19 6.087 6.245 2.482 156 HB3 GLU 19 HB3 GLU 19 6.024 7.987 2.207 157 HG2 GLU 19 HG2 GLU 19 7.094 8.298 4.475 158 HG3 GLU 19 HG3 GLU 19 7.246 6.543 4.604 159 H GLU 20 H GLU 20 5.280 8.445 5.913 160 HA GLU 20 HA GLU 20 5.654 6.035 7.507 161 HB2 GLU 20 HB2 GLU 20 5.783 8.983 8.263 162 HB3 GLU 20 HB3 GLU 20 6.125 7.617 9.335 163 HG2 GLU 20 HG2 GLU 20 7.838 6.833 7.594 164 HG3 GLU 20 HG3 GLU 20 7.664 8.413 6.833 165 H PHE 21 H PHE 21 3.041 8.445 7.230 166 HA PHE 21 HA PHE 21 1.663 7.997 9.574 167 HB2 PHE 21 HB2 PHE 21 0.856 9.629 8.083 168 HB3 PHE 21 HB3 PHE 21 0.590 8.454 6.793 169 HD1 PHE 21 HD1 PHE 21 -1.689 8.192 6.327 170 HD2 PHE 21 HD2 PHE 21 -0.450 8.659 10.434 171 HE1 PHE 21 HE1 PHE 21 -4.039 7.932 7.073 172 HE2 PHE 21 HE2 PHE 21 -2.802 8.403 11.175 173 HZ PHE 21 HZ PHE 21 -4.601 8.034 9.496 174 HA PRO 22 HA PRO 22 -0.564 3.970 8.117 175 HB2 PRO 22 HB2 PRO 22 1.055 2.383 6.474 176 HB3 PRO 22 HB3 PRO 22 -0.450 3.257 5.990 177 HG2 PRO 22 HG2 PRO 22 2.443 4.029 5.648 178 HG3 PRO 22 HG3 PRO 22 1.085 4.304 4.511 179 HD2 PRO 22 HD2 PRO 22 2.017 6.303 6.051 180 HD3 PRO 22 HD3 PRO 22 0.262 6.125 5.785 181 H LYS 23 H LYS 23 3.021 4.018 8.088 182 HA LYS 23 HA LYS 23 3.458 1.677 9.649 183 HB2 LYS 23 HB2 LYS 23 5.220 4.129 9.842 184 HB3 LYS 23 HB3 LYS 23 5.667 2.447 10.041 185 HG2 LYS 23 HG2 LYS 23 4.865 3.803 7.438 186 HG3 LYS 23 HG3 LYS 23 6.493 3.341 7.923 187 HD2 LYS 23 HD2 LYS 23 5.890 0.946 7.805 188 HD3 LYS 23 HD3 LYS 23 4.212 1.367 7.451 189 HE2 LYS 23 HE2 LYS 23 5.171 0.810 5.367 190 HE3 LYS 23 HE3 LYS 23 4.959 2.561 5.375 191 HZ1 LYS 23 HZ1 LYS 23 7.354 2.753 5.891 192 HZ2 LYS 23 HZ2 LYS 23 7.520 1.129 5.876 193 HZ3 LYS 23 HZ3 LYS 23 7.129 1.918 4.511 194 H ILE 24 H ILE 24 2.792 5.020 10.670 195 HA ILE 24 HA ILE 24 2.884 4.317 13.504 196 HB ILE 24 HB ILE 24 2.801 6.393 14.043 197 HG12 ILE 24 HG12 ILE 24 1.556 8.159 12.259 198 HG13 ILE 24 HG13 ILE 24 0.464 6.823 12.242 199 HG21 ILE 24 HG21 ILE 24 4.466 6.252 12.117 200 HG22 ILE 24 HG22 ILE 24 3.194 7.009 11.121 201 HG23 ILE 24 HG23 ILE 24 3.891 7.896 12.489 202 HD11 ILE 24 HD11 ILE 24 1.501 8.271 14.726 203 HD12 ILE 24 HD12 ILE 24 -0.084 8.526 13.956 204 HD13 ILE 24 HD13 ILE 24 0.254 6.968 14.694 205 H ASP 25 H ASP 25 0.351 4.506 11.062 206 HA ASP 25 HA ASP 25 -1.859 4.532 12.865 207 HB2 ASP 25 HB2 ASP 25 -1.788 5.123 10.444 208 HB3 ASP 25 HB3 ASP 25 -1.614 3.415 10.050 209 H SER 26 H SER 26 0.117 1.932 11.537 210 HA SER 26 HA SER 26 -1.222 -0.333 12.705 211 HB2 SER 26 HB2 SER 26 0.559 -0.381 10.931 212 HB3 SER 26 HB3 SER 26 1.746 0.044 12.185 213 HG SER 26 HG SER 26 1.195 -1.891 13.262 214 H LEU 27 H LEU 27 1.024 2.086 14.104 215 HA LEU 27 HA LEU 27 1.270 0.632 16.619 216 HB2 LEU 27 HB2 LEU 27 3.179 1.863 16.038 217 HB3 LEU 27 HB3 LEU 27 2.254 3.269 15.545 218 HG LEU 27 HG LEU 27 1.586 3.691 17.883 219 HD11 LEU 27 HD11 LEU 27 3.642 1.512 18.531 220 HD12 LEU 27 HD12 LEU 27 2.870 2.596 19.710 221 HD13 LEU 27 HD13 LEU 27 1.897 1.405 18.849 222 HD21 LEU 27 HD21 LEU 27 4.596 3.528 17.457 223 HD22 LEU 27 HD22 LEU 27 3.535 4.794 16.815 224 HD23 LEU 27 HD23 LEU 27 3.726 4.613 18.563 225 H ALA 28 H ALA 28 -0.352 3.689 15.626 226 HA ALA 28 HA ALA 28 -1.431 4.314 18.073 227 HB1 ALA 28 HB1 ALA 28 -2.863 5.900 16.811 228 HB2 ALA 28 HB2 ALA 28 -1.255 5.838 16.086 229 HB3 ALA 28 HB3 ALA 28 -2.592 4.957 15.327 230 H GLN 29 H GLN 29 -2.775 2.042 15.804 231 HA GLN 29 HA GLN 29 -5.295 1.751 17.203 232 HB2 GLN 29 HB2 GLN 29 -5.771 -0.066 15.759 233 HB3 GLN 29 HB3 GLN 29 -5.005 1.211 14.823 234 HG2 GLN 29 HG2 GLN 29 -2.809 -0.083 15.067 235 HG3 GLN 29 HG3 GLN 29 -3.755 -1.409 15.759 236 HE21 GLN 29 HE21 GLN 29 -4.151 -0.547 11.740 237 HE22 GLN 29 HE22 GLN 29 -3.515 0.683 12.844 238 H ASN 30 H ASN 30 -2.288 0.996 18.310 239 HA ASN 30 HA ASN 30 -3.219 -1.113 20.151 240 HB2 ASN 30 HB2 ASN 30 -0.544 -0.854 18.703 241 HB3 ASN 30 HB3 ASN 30 -0.831 -1.955 20.044 242 HD21 ASN 30 HD21 ASN 30 -1.835 -3.206 16.407 243 HD22 ASN 30 HD22 ASN 30 -0.908 -1.731 16.630 244 H ASP 31 H ASP 31 -0.849 1.543 19.698 245 HA ASP 31 HA ASP 31 -1.264 2.468 22.461 246 HB2 ASP 31 HB2 ASP 31 0.568 0.852 22.714 247 HB3 ASP 31 HB3 ASP 31 1.479 1.633 21.424 248 H CYS 32 H CYS 32 -2.336 4.144 21.142 249 HA CYS 32 HA CYS 32 -0.928 5.792 19.303 250 HB2 CYS 32 HB2 CYS 32 -2.773 7.418 19.710 251 HB3 CYS 32 HB3 CYS 32 -3.349 5.789 19.332 252 HG CYS 32 HG CYS 32 -4.117 5.073 21.597 253 H ASN 33 H ASN 33 -0.717 5.878 22.796 254 HA ASN 33 HA ASN 33 0.155 8.577 23.073 255 HB2 ASN 33 HB2 ASN 33 -0.612 7.090 24.931 256 HB3 ASN 33 HB3 ASN 33 0.864 6.136 24.752 257 HD21 ASN 33 HD21 ASN 33 2.458 8.253 27.074 258 HD22 ASN 33 HD22 ASN 33 2.188 6.619 26.483 259 H SER 34 H SER 34 1.908 5.661 22.090 260 HA SER 34 HA SER 34 4.541 6.986 21.983 261 HB2 SER 34 HB2 SER 34 3.473 4.358 20.915 262 HB3 SER 34 HB3 SER 34 5.163 4.892 20.743 263 HG SER 34 HG SER 34 3.804 3.876 22.932 264 H ALA 35 H ALA 35 1.773 6.580 19.864 265 HA ALA 35 HA ALA 35 3.173 6.949 17.365 266 HB1 ALA 35 HB1 ALA 35 1.172 6.301 16.477 267 HB2 ALA 35 HB2 ALA 35 0.881 5.719 18.100 268 HB3 ALA 35 HB3 ALA 35 0.205 7.285 17.625 269 H LEU 36 H LEU 36 1.455 9.150 19.588 270 HA LEU 36 HA LEU 36 1.445 11.436 17.902 271 HB2 LEU 36 HB2 LEU 36 2.214 11.812 20.744 272 HB3 LEU 36 HB3 LEU 36 0.950 12.631 19.812 273 HG LEU 36 HG LEU 36 0.764 9.964 21.216 274 HD11 LEU 36 HD11 LEU 36 0.959 11.922 22.706 275 HD12 LEU 36 HD12 LEU 36 -0.469 12.643 21.923 276 HD13 LEU 36 HD13 LEU 36 -0.599 11.118 22.833 277 HD21 LEU 36 HD21 LEU 36 -0.811 10.090 19.263 278 HD22 LEU 36 HD22 LEU 36 -1.646 10.073 20.806 279 HD23 LEU 36 HD23 LEU 36 -1.469 11.599 19.930 280 H ASP 37 H ASP 37 3.937 9.998 19.835 281 HA ASP 37 HA ASP 37 6.012 11.924 19.194 282 HB2 ASP 37 HB2 ASP 37 6.188 9.193 20.467 283 HB3 ASP 37 HB3 ASP 37 7.523 10.328 20.335 284 H GLN 38 H GLN 38 4.534 9.927 17.127 285 HA GLN 38 HA GLN 38 6.976 9.699 15.489 286 HB2 GLN 38 HB2 GLN 38 4.377 8.089 15.262 287 HB3 GLN 38 HB3 GLN 38 5.755 8.024 14.137 288 HG2 GLN 38 HG2 GLN 38 7.201 7.468 16.196 289 HG3 GLN 38 HG3 GLN 38 5.684 7.200 17.053 290 HE21 GLN 38 HE21 GLN 38 6.951 3.925 15.732 291 HE22 GLN 38 HE22 GLN 38 7.574 5.140 16.839 292 H LEU 39 H LEU 39 3.427 10.580 15.063 293 HA LEU 39 HA LEU 39 4.171 12.044 12.672 294 HB2 LEU 39 HB2 LEU 39 1.701 12.373 14.419 295 HB3 LEU 39 HB3 LEU 39 1.927 13.091 12.820 296 HG LEU 39 HG LEU 39 1.680 10.179 13.539 297 HD11 LEU 39 HD11 LEU 39 -0.414 11.585 13.371 298 HD12 LEU 39 HD12 LEU 39 0.004 11.911 11.669 299 HD13 LEU 39 HD13 LEU 39 -0.358 10.260 12.203 300 HD21 LEU 39 HD21 LEU 39 1.701 9.898 10.926 301 HD22 LEU 39 HD22 LEU 39 2.383 11.522 10.867 302 HD23 LEU 39 HD23 LEU 39 3.267 10.214 11.685 303 H LEU 40 H LEU 40 3.623 13.296 16.060 304 HA LEU 40 HA LEU 40 3.904 16.020 15.002 305 HB2 LEU 40 HB2 LEU 40 3.761 15.196 17.904 306 HB3 LEU 40 HB3 LEU 40 3.611 16.797 17.241 307 HG LEU 40 HG LEU 40 1.364 16.553 17.407 308 HD11 LEU 40 HD11 LEU 40 1.394 14.465 15.230 309 HD12 LEU 40 HD12 LEU 40 0.097 15.560 15.704 310 HD13 LEU 40 HD13 LEU 40 1.558 16.197 14.932 311 HD21 LEU 40 HD21 LEU 40 1.843 14.574 18.856 312 HD22 LEU 40 HD22 LEU 40 0.265 14.679 18.084 313 HD23 LEU 40 HD23 LEU 40 1.499 13.573 17.429 314 H VAL 41 H VAL 41 6.105 13.631 16.048 315 HA VAL 41 HA VAL 41 8.387 15.310 16.603 316 HB VAL 41 HB VAL 41 8.031 12.427 15.750 317 HG11 VAL 41 HG11 VAL 41 10.705 13.853 16.166 318 HG12 VAL 41 HG12 VAL 41 10.488 12.092 16.148 319 HG13 VAL 41 HG13 VAL 41 10.155 13.026 14.689 320 HG21 VAL 41 HG21 VAL 41 9.082 12.128 18.049 321 HG22 VAL 41 HG22 VAL 41 9.197 13.882 18.207 322 HG23 VAL 41 HG23 VAL 41 7.603 13.105 18.125 323 H LEU 42 H LEU 42 6.916 14.109 13.609 324 HA LEU 42 HA LEU 42 8.931 15.185 11.863 325 HB2 LEU 42 HB2 LEU 42 5.974 14.841 11.375 326 HB3 LEU 42 HB3 LEU 42 7.165 15.180 10.142 327 HG LEU 42 HG LEU 42 7.181 12.645 11.854 328 HD11 LEU 42 HD11 LEU 42 5.252 12.570 10.416 329 HD12 LEU 42 HD12 LEU 42 6.213 13.057 8.991 330 HD13 LEU 42 HD13 LEU 42 6.475 11.480 9.769 331 HD21 LEU 42 HD21 LEU 42 8.776 11.867 10.072 332 HD22 LEU 42 HD22 LEU 42 8.782 13.526 9.423 333 HD23 LEU 42 HD23 LEU 42 9.409 13.186 11.052 334 H GLU 43 H GLU 43 5.797 16.626 12.956 335 HA GLU 43 HA GLU 43 6.101 19.229 11.935 336 HB2 GLU 43 HB2 GLU 43 4.155 18.976 12.996 337 HB3 GLU 43 HB3 GLU 43 4.769 18.063 14.344 338 HG2 GLU 43 HG2 GLU 43 5.423 21.020 14.095 339 HG3 GLU 43 HG3 GLU 43 3.814 20.560 14.537 340 H LYS 44 H LYS 44 7.629 17.957 14.861 341 HA LYS 44 HA LYS 44 9.075 20.357 15.548 342 HB2 LYS 44 HB2 LYS 44 8.631 18.516 17.118 343 HB3 LYS 44 HB3 LYS 44 9.625 17.427 16.162 344 HG2 LYS 44 HG2 LYS 44 11.636 18.817 16.656 345 HG3 LYS 44 HG3 LYS 44 10.626 19.903 17.635 346 HD2 LYS 44 HD2 LYS 44 10.081 18.015 19.164 347 HD3 LYS 44 HD3 LYS 44 10.971 16.907 18.118 348 HE2 LYS 44 HE2 LYS 44 12.402 17.345 19.942 349 HE3 LYS 44 HE3 LYS 44 13.073 18.211 18.561 350 HZ1 LYS 44 HZ1 LYS 44 11.447 19.431 20.726 351 HZ2 LYS 44 HZ2 LYS 44 13.062 19.551 20.580 352 HZ3 LYS 44 HZ3 LYS 44 12.097 20.254 19.471 353 H LYS 45 H LYS 45 10.263 17.417 13.874 354 HA LYS 45 HA LYS 45 12.874 18.418 13.321 355 HB2 LYS 45 HB2 LYS 45 12.132 16.035 13.221 356 HB3 LYS 45 HB3 LYS 45 11.179 16.390 11.776 357 HG2 LYS 45 HG2 LYS 45 13.241 16.982 10.540 358 HG3 LYS 45 HG3 LYS 45 14.210 16.701 11.998 359 HD2 LYS 45 HD2 LYS 45 13.507 14.318 12.007 360 HD3 LYS 45 HD3 LYS 45 12.522 14.600 10.555 361 HE2 LYS 45 HE2 LYS 45 14.565 15.265 9.309 362 HE3 LYS 45 HE3 LYS 45 15.544 15.011 10.753 363 HZ1 LYS 45 HZ1 LYS 45 14.012 12.894 9.346 364 HZ2 LYS 45 HZ2 LYS 45 15.627 13.093 9.283 365 HZ3 LYS 45 HZ3 LYS 45 14.919 12.658 10.683 366 H THR 46 H THR 46 9.940 18.599 11.377 367 HA THR 46 HA THR 46 11.031 19.807 9.017 368 HB THR 46 HB THR 46 8.693 20.335 8.492 369 HG1 THR 46 HG1 THR 46 8.138 18.965 10.881 370 HG21 THR 46 HG21 THR 46 9.534 18.133 7.908 371 HG22 THR 46 HG22 THR 46 9.237 17.504 9.520 372 HG23 THR 46 HG23 THR 46 7.854 18.015 8.524 373 H ARG 47 H ARG 47 9.353 21.407 11.820 374 HA ARG 47 HA ARG 47 9.819 24.061 10.710 375 HB2 ARG 47 HB2 ARG 47 9.098 24.974 12.845 376 HB3 ARG 47 HB3 ARG 47 8.063 23.621 12.390 377 HG2 ARG 47 HG2 ARG 47 9.357 22.178 13.961 378 HG3 ARG 47 HG3 ARG 47 10.286 23.592 14.486 379 HD2 ARG 47 HD2 ARG 47 8.354 24.656 15.384 380 HD3 ARG 47 HD3 ARG 47 7.267 23.610 14.456 381 HE ARG 47 HE ARG 47 7.416 21.914 15.984 382 HH11 ARG 47 HH11 ARG 47 7.556 21.117 17.838 383 HH12 ARG 47 HH12 ARG 47 8.586 21.791 19.104 384 HH21 ARG 47 HH21 ARG 47 9.616 24.416 17.137 385 HH22 ARG 47 HH22 ARG 47 9.743 23.610 18.682 386 H GLN 48 H GLN 48 11.767 22.038 12.888 387 HA GLN 48 HA GLN 48 13.707 24.099 13.380 388 HB2 GLN 48 HB2 GLN 48 13.798 21.094 13.787 389 HB3 GLN 48 HB3 GLN 48 15.095 22.193 14.278 390 HG2 GLN 48 HG2 GLN 48 12.214 22.316 15.248 391 HG3 GLN 48 HG3 GLN 48 13.570 21.663 16.157 392 HE21 GLN 48 HE21 GLN 48 12.751 25.244 17.173 393 HE22 GLN 48 HE22 GLN 48 11.775 23.791 17.019 394 H ALA 49 H ALA 49 13.579 21.454 10.962 395 HA ALA 49 HA ALA 49 16.139 22.001 9.799 396 HB1 ALA 49 HB1 ALA 49 13.680 20.494 8.807 397 HB2 ALA 49 HB2 ALA 49 15.307 20.385 8.097 398 HB3 ALA 49 HB3 ALA 49 15.021 19.806 9.747 399 H SER 50 H SER 50 13.290 23.818 9.604 400 HA SER 50 HA SER 50 12.351 25.275 8.204 401 HB2 SER 50 HB2 SER 50 15.025 25.548 6.804 402 HB3 SER 50 HB3 SER 50 13.640 26.639 6.672 403 HG SER 50 HG SER 50 15.174 26.063 8.984 404 H ASP 51 H ASP 51 12.215 22.503 7.646 405 HA ASP 51 HA ASP 51 11.528 22.366 4.742 406 HB2 ASP 51 HB2 ASP 51 11.674 20.241 6.909 407 HB3 ASP 51 HB3 ASP 51 11.142 19.942 5.251 408 H LEU 52 H LEU 52 10.187 23.893 6.986 409 HA LEU 52 HA LEU 52 8.034 22.815 8.118 410 HB2 LEU 52 HB2 LEU 52 7.167 24.948 8.485 411 HB3 LEU 52 HB3 LEU 52 8.916 24.904 8.740 412 HG LEU 52 HG LEU 52 7.500 26.095 6.300 413 HD11 LEU 52 HD11 LEU 52 7.002 27.343 8.343 414 HD12 LEU 52 HD12 LEU 52 8.726 27.400 8.761 415 HD13 LEU 52 HD13 LEU 52 8.112 28.269 7.331 416 HD21 LEU 52 HD21 LEU 52 9.724 25.498 5.676 417 HD22 LEU 52 HD22 LEU 52 9.781 27.225 6.025 418 HD23 LEU 52 HD23 LEU 52 10.388 26.057 7.229 419 H ALA 53 H ALA 53 8.013 23.747 4.820 420 HA ALA 53 HA ALA 53 5.252 23.869 4.172 421 HB1 ALA 53 HB1 ALA 53 7.531 22.498 2.666 422 HB2 ALA 53 HB2 ALA 53 5.985 23.019 1.957 423 HB3 ALA 53 HB3 ALA 53 7.124 24.234 2.573 424 H SER 54 H SER 54 7.134 21.150 5.270 425 HA SER 54 HA SER 54 4.986 19.126 4.812 426 HB2 SER 54 HB2 SER 54 6.583 17.584 5.881 427 HB3 SER 54 HB3 SER 54 7.209 18.424 4.437 428 HG SER 54 HG SER 54 8.418 19.789 5.745 429 H SER 55 H SER 55 6.691 20.635 7.605 430 HA SER 55 HA SER 55 5.285 19.869 9.817 431 HB2 SER 55 HB2 SER 55 7.056 21.790 9.558 432 HB3 SER 55 HB3 SER 55 5.657 22.835 9.398 433 HG SER 55 HG SER 55 6.570 21.366 11.596 434 H LYS 56 H LYS 56 4.215 22.266 7.483 435 HA LYS 56 HA LYS 56 1.779 23.115 8.644 436 HB2 LYS 56 HB2 LYS 56 3.056 24.165 6.765 437 HB3 LYS 56 HB3 LYS 56 2.463 22.899 5.678 438 HG2 LYS 56 HG2 LYS 56 0.123 23.631 6.105 439 HG3 LYS 56 HG3 LYS 56 0.707 24.868 7.228 440 HD2 LYS 56 HD2 LYS 56 1.367 24.732 4.248 441 HD3 LYS 56 HD3 LYS 56 0.101 25.734 4.969 442 HE2 LYS 56 HE2 LYS 56 1.820 26.926 6.330 443 HE3 LYS 56 HE3 LYS 56 3.089 25.962 5.556 444 HZ1 LYS 56 HZ1 LYS 56 2.420 26.927 3.419 445 HZ2 LYS 56 HZ2 LYS 56 1.242 27.802 4.134 446 HZ3 LYS 56 HZ3 LYS 56 2.806 28.114 4.463 447 H GLU 57 H GLU 57 2.357 20.201 6.737 448 HA GLU 57 HA GLU 57 -0.494 19.516 6.454 449 HB2 GLU 57 HB2 GLU 57 2.062 17.994 5.867 450 HB3 GLU 57 HB3 GLU 57 0.450 17.357 5.574 451 HG2 GLU 57 HG2 GLU 57 1.588 19.892 4.340 452 HG3 GLU 57 HG3 GLU 57 1.516 18.322 3.542 453 H VAL 58 H VAL 58 2.171 18.790 8.672 454 HA VAL 58 HA VAL 58 0.764 16.747 10.208 455 HB VAL 58 HB VAL 58 2.639 18.618 11.584 456 HG11 VAL 58 HG11 VAL 58 1.547 16.639 12.688 457 HG12 VAL 58 HG12 VAL 58 2.448 15.575 11.586 458 HG13 VAL 58 HG13 VAL 58 3.315 16.605 12.744 459 HG21 VAL 58 HG21 VAL 58 3.880 18.316 9.523 460 HG22 VAL 58 HG22 VAL 58 4.633 17.364 10.808 461 HG23 VAL 58 HG23 VAL 58 3.595 16.599 9.596 462 H LEU 59 H LEU 59 1.206 20.231 10.450 463 HA LEU 59 HA LEU 59 0.089 20.656 12.916 464 HB2 LEU 59 HB2 LEU 59 0.661 22.314 10.507 465 HB3 LEU 59 HB3 LEU 59 -0.243 23.058 11.803 466 HG LEU 59 HG LEU 59 2.351 21.593 12.336 467 HD11 LEU 59 HD11 LEU 59 3.516 23.733 12.301 468 HD12 LEU 59 HD12 LEU 59 2.797 23.409 10.730 469 HD13 LEU 59 HD13 LEU 59 2.021 24.582 11.822 470 HD21 LEU 59 HD21 LEU 59 1.288 23.896 13.971 471 HD22 LEU 59 HD22 LEU 59 0.542 22.301 14.176 472 HD23 LEU 59 HD23 LEU 59 2.259 22.481 14.446 473 H ALA 60 H ALA 60 -1.707 20.533 9.889 474 HA ALA 60 HA ALA 60 -4.173 21.250 11.184 475 HB1 ALA 60 HB1 ALA 60 -5.159 20.658 8.963 476 HB2 ALA 60 HB2 ALA 60 -3.729 21.698 8.799 477 HB3 ALA 60 HB3 ALA 60 -3.587 19.950 8.480 478 H LYS 61 H LYS 61 -2.489 18.510 11.669 479 HA LYS 61 HA LYS 61 -4.898 17.369 12.869 480 HB2 LYS 61 HB2 LYS 61 -4.977 15.541 11.817 481 HB3 LYS 61 HB3 LYS 61 -3.840 16.221 10.665 482 HG2 LYS 61 HG2 LYS 61 -3.057 14.434 13.012 483 HG3 LYS 61 HG3 LYS 61 -3.437 13.850 11.412 484 HD2 LYS 61 HD2 LYS 61 -1.145 15.709 12.101 485 HD3 LYS 61 HD3 LYS 61 -1.014 13.990 11.793 486 HE2 LYS 61 HE2 LYS 61 -1.907 16.110 9.784 487 HE3 LYS 61 HE3 LYS 61 -0.356 15.276 9.794 488 HZ1 LYS 61 HZ1 LYS 61 -2.967 13.945 9.287 489 HZ2 LYS 61 HZ2 LYS 61 -1.852 14.306 8.169 490 HZ3 LYS 61 HZ3 LYS 61 -1.517 13.191 9.298 491 H ILE 62 H ILE 62 -2.124 18.737 13.471 492 HA ILE 62 HA ILE 62 -1.041 17.483 15.707 493 HB ILE 62 HB ILE 62 -0.884 19.912 14.449 494 HG12 ILE 62 HG12 ILE 62 0.898 20.408 16.302 495 HG13 ILE 62 HG13 ILE 62 0.518 18.739 16.783 496 HG21 ILE 62 HG21 ILE 62 -1.788 20.709 17.196 497 HG22 ILE 62 HG22 ILE 62 -1.085 21.747 15.936 498 HG23 ILE 62 HG23 ILE 62 -2.632 20.981 15.634 499 HD11 ILE 62 HD11 ILE 62 0.776 18.269 14.186 500 HD12 ILE 62 HD12 ILE 62 1.648 19.819 14.195 501 HD13 ILE 62 HD13 ILE 62 2.245 18.480 15.193 502 H VAL 63 H VAL 63 -4.151 19.159 15.434 503 HA VAL 63 HA VAL 63 -4.681 19.020 18.320 504 HB VAL 63 HB VAL 63 -5.742 20.706 16.953 505 HG11 VAL 63 HG11 VAL 63 -6.239 19.411 14.900 506 HG12 VAL 63 HG12 VAL 63 -7.538 18.574 15.786 507 HG13 VAL 63 HG13 VAL 63 -7.609 20.335 15.538 508 HG21 VAL 63 HG21 VAL 63 -8.025 20.453 17.931 509 HG22 VAL 63 HG22 VAL 63 -7.600 18.793 18.385 510 HG23 VAL 63 HG23 VAL 63 -6.696 20.170 19.071 511 H ASP 64 H ASP 64 -5.344 16.952 15.630 512 HA ASP 64 HA ASP 64 -7.070 15.172 17.012 513 HB2 ASP 64 HB2 ASP 64 -5.622 14.827 14.354 514 HB3 ASP 64 HB3 ASP 64 -6.884 13.756 14.948 515 H LEU 65 H LEU 65 -3.660 15.335 17.057 516 HA LEU 65 HA LEU 65 -3.627 12.667 18.428 517 HB2 LEU 65 HB2 LEU 65 -1.482 13.905 16.715 518 HB3 LEU 65 HB3 LEU 65 -1.067 12.889 18.094 519 HG LEU 65 HG LEU 65 -2.547 11.051 17.116 520 HD11 LEU 65 HD11 LEU 65 -3.754 12.433 15.409 521 HD12 LEU 65 HD12 LEU 65 -2.207 12.812 14.628 522 HD13 LEU 65 HD13 LEU 65 -2.831 11.145 14.637 523 HD21 LEU 65 HD21 LEU 65 -0.767 10.419 15.437 524 HD22 LEU 65 HD22 LEU 65 0.035 11.954 15.868 525 HD23 LEU 65 HD23 LEU 65 -0.274 10.697 17.090 526 H LEU 66 H LEU 66 -2.097 16.030 18.677 527 HA LEU 66 HA LEU 66 -1.286 15.433 21.356 528 HB2 LEU 66 HB2 LEU 66 -1.849 18.119 20.077 529 HB3 LEU 66 HB3 LEU 66 -1.071 17.936 21.630 530 HG LEU 66 HG LEU 66 0.052 16.896 19.033 531 HD11 LEU 66 HD11 LEU 66 1.536 18.899 19.173 532 HD12 LEU 66 HD12 LEU 66 -0.172 19.302 18.938 533 HD13 LEU 66 HD13 LEU 66 0.558 19.490 20.540 534 HD21 LEU 66 HD21 LEU 66 2.186 16.814 20.289 535 HD22 LEU 66 HD22 LEU 66 1.347 17.359 21.753 536 HD23 LEU 66 HD23 LEU 66 0.971 15.766 21.040 537 H ALA 67 H ALA 67 -3.844 17.814 20.463 538 HA ALA 67 HA ALA 67 -4.976 18.016 23.042 539 HB1 ALA 67 HB1 ALA 67 -6.503 18.171 20.407 540 HB2 ALA 67 HB2 ALA 67 -6.864 19.040 21.909 541 HB3 ALA 67 HB3 ALA 67 -5.405 19.426 20.960 542 H SER 68 H SER 68 -5.691 15.692 20.566 543 HA SER 68 HA SER 68 -7.998 14.518 21.807 544 HB2 SER 68 HB2 SER 68 -7.485 14.561 19.344 545 HB3 SER 68 HB3 SER 68 -6.270 13.302 19.649 546 HG SER 68 HG SER 68 -8.000 12.042 20.568 547 H ARG 69 H ARG 69 -4.636 13.979 22.426 548 HA ARG 69 HA ARG 69 -5.359 11.670 24.149 549 HB2 ARG 69 HB2 ARG 69 -4.205 11.002 21.940 550 HB3 ARG 69 HB3 ARG 69 -2.769 11.779 22.579 551 HG2 ARG 69 HG2 ARG 69 -2.606 9.409 23.014 552 HG3 ARG 69 HG3 ARG 69 -2.897 10.178 24.570 553 HD2 ARG 69 HD2 ARG 69 -5.380 9.622 24.261 554 HD3 ARG 69 HD3 ARG 69 -4.912 8.718 22.821 555 HE ARG 69 HE ARG 69 -3.365 7.856 25.105 556 HH11 ARG 69 HH11 ARG 69 -3.791 5.952 26.146 557 HH12 ARG 69 HH12 ARG 69 -5.343 5.187 25.955 558 HH21 ARG 69 HH21 ARG 69 -6.627 7.533 23.829 559 HH22 ARG 69 HH22 ARG 69 -6.891 6.045 24.703 560 H ASN 70 H ASN 70 -5.448 14.140 24.999 561 HA ASN 70 HA ASN 70 -4.935 15.460 26.675 562 HB2 ASN 70 HB2 ASN 70 -3.687 13.003 27.908 563 HB3 ASN 70 HB3 ASN 70 -4.257 14.434 28.778 564 HD21 ASN 70 HD21 ASN 70 -6.899 11.624 28.432 565 HD22 ASN 70 HD22 ASN 70 -5.158 11.433 28.565 566 H LYS 71 H LYS 71 -2.861 15.484 24.571 567 HA LYS 71 HA LYS 71 -0.888 17.046 26.121 568 HB2 LYS 71 HB2 LYS 71 -0.619 16.010 23.288 569 HB3 LYS 71 HB3 LYS 71 0.581 16.966 24.138 570 HG2 LYS 71 HG2 LYS 71 -0.315 14.156 24.899 571 HG3 LYS 71 HG3 LYS 71 1.175 14.593 24.057 572 HD2 LYS 71 HD2 LYS 71 1.934 15.891 26.029 573 HD3 LYS 71 HD3 LYS 71 0.454 15.437 26.904 574 HE2 LYS 71 HE2 LYS 71 1.023 13.044 26.676 575 HE3 LYS 71 HE3 LYS 71 2.497 13.461 25.791 576 HZ1 LYS 71 HZ1 LYS 71 1.926 14.225 28.606 577 HZ2 LYS 71 HZ2 LYS 71 2.948 13.057 28.134 578 HZ3 LYS 71 HZ3 LYS 71 3.285 14.610 27.792 579 H TRP 72 H TRP 72 -3.620 17.735 25.480 580 HA TRP 72 HA TRP 72 -3.936 19.898 23.766 581 HB2 TRP 72 HB2 TRP 72 -5.360 20.684 25.962 582 HB3 TRP 72 HB3 TRP 72 -5.875 19.532 24.754 583 HD1 TRP 72 HD1 TRP 72 -7.134 17.720 25.695 584 HE1 TRP 72 HE1 TRP 72 -7.197 16.336 27.845 585 HE3 TRP 72 HE3 TRP 72 -3.098 19.730 28.191 586 HZ2 TRP 72 HZ2 TRP 72 -5.803 16.148 30.316 587 HZ3 TRP 72 HZ3 TRP 72 -2.458 18.858 30.410 588 HH2 TRP 72 HH2 TRP 72 -3.809 17.086 31.501 589 H ASP 73 H ASP 73 -1.877 19.876 26.583 590 HA ASP 73 HA ASP 73 -1.760 22.728 26.983 591 HB2 ASP 73 HB2 ASP 73 -1.149 20.878 28.601 592 HB3 ASP 73 HB3 ASP 73 0.268 20.547 27.616 593 H ASP 74 H ASP 74 -0.147 20.485 24.762 594 HA ASP 74 HA ASP 74 1.892 22.352 23.919 595 HB2 ASP 74 HB2 ASP 74 0.919 19.745 22.726 596 HB3 ASP 74 HB3 ASP 74 2.291 20.666 22.127 597 H LEU 75 H LEU 75 -1.455 21.766 22.852 598 HA LEU 75 HA LEU 75 -1.442 22.807 20.226 599 HB2 LEU 75 HB2 LEU 75 -3.400 22.344 22.341 600 HB3 LEU 75 HB3 LEU 75 -3.779 23.700 21.276 601 HG LEU 75 HG LEU 75 -4.728 21.459 20.688 602 HD11 LEU 75 HD11 LEU 75 -4.812 23.130 19.077 603 HD12 LEU 75 HD12 LEU 75 -3.096 22.956 18.634 604 HD13 LEU 75 HD13 LEU 75 -4.258 21.679 18.230 605 HD21 LEU 75 HD21 LEU 75 -3.374 19.785 19.618 606 HD22 LEU 75 HD22 LEU 75 -1.926 20.773 19.743 607 HD23 LEU 75 HD23 LEU 75 -2.696 20.126 21.211 608 H ASN 76 H ASN 76 -1.532 24.557 23.232 609 HA ASN 76 HA ASN 76 -1.689 27.220 22.491 610 HB2 ASN 76 HB2 ASN 76 -1.434 27.217 24.724 611 HB3 ASN 76 HB3 ASN 76 -0.848 25.574 24.688 612 HD21 ASN 76 HD21 ASN 76 2.356 26.394 25.692 613 HD22 ASN 76 HD22 ASN 76 1.105 25.163 25.473 614 H GLU 77 H GLU 77 1.237 25.254 22.455 615 HA GLU 77 HA GLU 77 2.932 27.332 21.313 616 HB2 GLU 77 HB2 GLU 77 3.692 25.492 22.894 617 HB3 GLU 77 HB3 GLU 77 3.484 24.366 21.563 618 HG2 GLU 77 HG2 GLU 77 5.774 24.857 21.593 619 HG3 GLU 77 HG3 GLU 77 5.146 25.752 20.226 620 H GLN 78 H GLN 78 0.985 24.678 20.016 621 HA GLN 78 HA GLN 78 2.256 24.505 17.465 622 HB2 GLN 78 HB2 GLN 78 -0.643 23.848 18.021 623 HB3 GLN 78 HB3 GLN 78 0.375 23.289 16.699 624 HG2 GLN 78 HG2 GLN 78 0.424 22.480 19.590 625 HG3 GLN 78 HG3 GLN 78 0.270 21.470 18.196 626 HE21 GLN 78 HE21 GLN 78 3.876 22.037 19.867 627 HE22 GLN 78 HE22 GLN 78 2.380 22.617 20.611 628 H LEU 79 H LEU 79 -0.181 26.685 18.681 629 HA LEU 79 HA LEU 79 -0.831 28.116 16.300 630 HB2 LEU 79 HB2 LEU 79 -0.634 28.977 19.204 631 HB3 LEU 79 HB3 LEU 79 -1.500 29.851 17.942 632 HG LEU 79 HG LEU 79 -2.294 27.208 19.204 633 HD11 LEU 79 HD11 LEU 79 -3.102 28.829 20.574 634 HD12 LEU 79 HD12 LEU 79 -3.293 30.039 19.297 635 HD13 LEU 79 HD13 LEU 79 -4.454 28.717 19.450 636 HD21 LEU 79 HD21 LEU 79 -4.283 27.314 17.615 637 HD22 LEU 79 HD22 LEU 79 -3.345 28.497 16.678 638 HD23 LEU 79 HD23 LEU 79 -2.739 26.838 16.958 639 H THR 80 H THR 80 2.090 28.138 18.122 640 HA THR 80 HA THR 80 2.932 30.856 17.247 641 HB THR 80 HB THR 80 3.702 28.912 19.415 642 HG1 THR 80 HG1 THR 80 2.206 30.277 20.060 643 HG21 THR 80 HG21 THR 80 5.837 29.596 18.628 644 HG22 THR 80 HG22 THR 80 5.316 31.303 18.506 645 HG23 THR 80 HG23 THR 80 5.478 30.513 20.105 646 H LEU 81 H LEU 81 3.990 27.481 16.992 647 HA LEU 81 HA LEU 81 6.545 27.289 16.437 648 HB2 LEU 81 HB2 LEU 81 4.598 26.246 14.394 649 HB3 LEU 81 HB3 LEU 81 6.188 25.604 14.809 650 HG LEU 81 HG LEU 81 3.667 25.592 16.458 651 HD11 LEU 81 HD11 LEU 81 3.865 24.059 14.503 652 HD12 LEU 81 HD12 LEU 81 5.272 23.295 15.265 653 HD13 LEU 81 HD13 LEU 81 3.687 23.212 16.037 654 HD21 LEU 81 HD21 LEU 81 5.553 25.799 18.008 655 HD22 LEU 81 HD22 LEU 81 4.878 24.169 18.078 656 HD23 LEU 81 HD23 LEU 81 6.393 24.462 17.205 657 H LEU 82 H LEU 82 4.650 28.038 13.547 658 HA LEU 82 HA LEU 82 7.133 28.544 12.165 659 HB2 LEU 82 HB2 LEU 82 4.348 28.980 11.021 660 HB3 LEU 82 HB3 LEU 82 5.832 28.635 10.148 661 HG LEU 82 HG LEU 82 4.271 26.720 11.935 662 HD11 LEU 82 HD11 LEU 82 4.822 26.700 8.938 663 HD12 LEU 82 HD12 LEU 82 3.921 25.468 9.847 664 HD13 LEU 82 HD13 LEU 82 3.287 27.115 9.722 665 HD21 LEU 82 HD21 LEU 82 5.872 24.961 11.160 666 HD22 LEU 82 HD22 LEU 82 6.897 26.240 10.464 667 HD23 LEU 82 HD23 LEU 82 6.629 26.164 12.210 668 H SER 83 H SER 83 5.274 30.612 14.007 669 HA SER 83 HA SER 83 5.897 33.107 12.542 670 HB2 SER 83 HB2 SER 83 3.731 32.760 13.743 671 HB3 SER 83 HB3 SER 83 4.621 32.715 15.277 672 HG SER 83 HG SER 83 5.417 34.830 14.702 673 H LYS 84 H LYS 84 7.518 31.063 14.790 674 HA LYS 84 HA LYS 84 8.723 32.768 16.643 675 HB2 LYS 84 HB2 LYS 84 9.789 30.293 15.231 676 HB3 LYS 84 HB3 LYS 84 10.654 31.082 16.551 677 HG2 LYS 84 HG2 LYS 84 8.833 30.662 18.116 678 HG3 LYS 84 HG3 LYS 84 7.833 29.947 16.836 679 HD2 LYS 84 HD2 LYS 84 9.582 28.221 16.441 680 HD3 LYS 84 HD3 LYS 84 10.560 28.888 17.751 681 HE2 LYS 84 HE2 LYS 84 7.740 27.760 18.082 682 HE3 LYS 84 HE3 LYS 84 9.231 26.832 18.329 683 HZ1 LYS 84 HZ1 LYS 84 9.835 28.224 20.151 684 HZ2 LYS 84 HZ2 LYS 84 8.637 29.299 19.881 685 HZ3 LYS 84 HZ3 LYS 84 8.276 27.807 20.418 686 H LYS 85 H LYS 85 9.846 32.257 13.312 687 HA LYS 85 HA LYS 85 12.365 33.654 13.595 688 HB2 LYS 85 HB2 LYS 85 10.671 33.077 11.120 689 HB3 LYS 85 HB3 LYS 85 12.309 33.736 11.096 690 HG2 LYS 85 HG2 LYS 85 13.125 31.692 12.307 691 HG3 LYS 85 HG3 LYS 85 11.505 30.987 12.132 692 HD2 LYS 85 HD2 LYS 85 11.690 31.220 9.647 693 HD3 LYS 85 HD3 LYS 85 13.307 31.922 9.850 694 HE2 LYS 85 HE2 LYS 85 14.044 29.801 10.988 695 HE3 LYS 85 HE3 LYS 85 12.451 29.107 10.663 696 HZ1 LYS 85 HZ1 LYS 85 12.903 29.436 8.266 697 HZ2 LYS 85 HZ2 LYS 85 14.392 30.007 8.603 698 HZ3 LYS 85 HZ3 LYS 85 14.022 28.455 8.937 699 H HIS 86 H HIS 86 9.169 34.920 13.360 700 HA HIS 86 HA HIS 86 10.209 37.606 12.468 701 HB2 HIS 86 HB2 HIS 86 7.518 36.318 11.889 702 HB3 HIS 86 HB3 HIS 86 8.035 37.918 11.369 703 HD2 HIS 86 HD2 HIS 86 11.044 36.892 10.339 704 HE1 HIS 86 HE1 HIS 86 8.699 34.895 7.389 705 HE2 HIS 86 HE2 HIS 86 11.034 35.730 7.979 706 H GLY 87 H GLY 87 7.882 36.017 14.620 707 HA2 GLY 87 HA2 GLY 87 6.773 36.754 16.503 708 HA3 GLY 87 HA3 GLY 87 7.766 38.211 16.492 709 H GLN 88 H GLN 88 6.968 39.219 13.935 710 HA GLN 88 HA GLN 88 4.423 40.470 14.498 711 HB2 GLN 88 HB2 GLN 88 6.211 40.554 12.023 712 HB3 GLN 88 HB3 GLN 88 4.864 41.639 12.340 713 HG2 GLN 88 HG2 GLN 88 7.483 41.467 13.895 714 HG3 GLN 88 HG3 GLN 88 6.928 42.780 12.862 715 HE21 GLN 88 HE21 GLN 88 4.381 43.770 15.393 716 HE22 GLN 88 HE22 GLN 88 4.513 43.575 13.647 717 H LEU 89 H LEU 89 2.718 40.624 12.974 718 HA LEU 89 HA LEU 89 0.915 39.832 11.953 719 HB2 LEU 89 HB2 LEU 89 2.828 40.159 10.175 720 HB3 LEU 89 HB3 LEU 89 2.641 38.429 9.925 721 HG LEU 89 HG LEU 89 0.522 40.619 9.641 722 HD11 LEU 89 HD11 LEU 89 2.183 40.481 7.825 723 HD12 LEU 89 HD12 LEU 89 1.797 38.763 7.594 724 HD13 LEU 89 HD13 LEU 89 0.571 40.008 7.263 725 HD21 LEU 89 HD21 LEU 89 -1.007 38.900 8.727 726 HD22 LEU 89 HD22 LEU 89 0.148 37.635 9.178 727 HD23 LEU 89 HD23 LEU 89 -0.652 38.609 10.426 728 H LYS 90 H LYS 90 0.599 38.479 13.932 729 HA LYS 90 HA LYS 90 0.597 35.625 13.916 730 HB2 LYS 90 HB2 LYS 90 -0.099 36.778 15.922 731 HB3 LYS 90 HB3 LYS 90 -1.291 37.738 15.055 732 HG2 LYS 90 HG2 LYS 90 -2.461 36.177 16.424 733 HG3 LYS 90 HG3 LYS 90 -2.740 35.795 14.750 734 HD2 LYS 90 HD2 LYS 90 -2.472 33.730 15.873 735 HD3 LYS 90 HD3 LYS 90 -0.980 33.963 14.963 736 HE2 LYS 90 HE2 LYS 90 0.167 34.779 17.029 737 HE3 LYS 90 HE3 LYS 90 -1.362 34.634 17.927 738 HZ1 LYS 90 HZ1 LYS 90 0.082 32.721 18.328 739 HZ2 LYS 90 HZ2 LYS 90 -1.275 32.223 17.563 740 HZ3 LYS 90 HZ3 LYS 90 0.130 32.311 16.747 741 H LEU 91 H LEU 91 -1.588 37.842 12.172 742 HA LEU 91 HA LEU 91 -3.546 36.022 11.556 743 HB2 LEU 91 HB2 LEU 91 -2.960 38.680 10.845 744 HB3 LEU 91 HB3 LEU 91 -3.242 37.845 9.325 745 HG LEU 91 HG LEU 91 -5.131 37.828 11.727 746 HD11 LEU 91 HD11 LEU 91 -6.530 39.334 10.385 747 HD12 LEU 91 HD12 LEU 91 -4.944 40.055 10.692 748 HD13 LEU 91 HD13 LEU 91 -5.303 39.357 9.095 749 HD21 LEU 91 HD21 LEU 91 -6.802 36.938 10.125 750 HD22 LEU 91 HD22 LEU 91 -5.551 36.850 8.866 751 HD23 LEU 91 HD23 LEU 91 -5.445 35.820 10.309 752 H SER 92 H SER 92 -0.446 35.705 10.451 753 HA SER 92 HA SER 92 -1.039 34.114 8.007 754 HB2 SER 92 HB2 SER 92 0.963 35.576 8.079 755 HB3 SER 92 HB3 SER 92 1.532 34.731 9.529 756 HG SER 92 HG SER 92 2.498 33.982 7.559 757 H ILE 93 H ILE 93 0.188 33.555 11.361 758 HA ILE 93 HA ILE 93 -0.076 30.640 10.913 759 HB ILE 93 HB ILE 93 1.898 31.630 12.117 760 HG12 ILE 93 HG12 ILE 93 0.313 29.589 13.763 761 HG13 ILE 93 HG13 ILE 93 0.975 29.195 12.174 762 HG21 ILE 93 HG21 ILE 93 0.766 33.270 13.516 763 HG22 ILE 93 HG22 ILE 93 -0.069 31.951 14.392 764 HG23 ILE 93 HG23 ILE 93 1.689 32.129 14.499 765 HD11 ILE 93 HD11 ILE 93 3.230 29.727 12.965 766 HD12 ILE 93 HD12 ILE 93 2.579 30.054 14.585 767 HD13 ILE 93 HD13 ILE 93 2.455 28.417 13.908 768 H GLN 94 H GLN 94 -2.018 33.205 12.039 769 HA GLN 94 HA GLN 94 -3.699 32.077 13.920 770 HB2 GLN 94 HB2 GLN 94 -3.675 34.406 13.187 771 HB3 GLN 94 HB3 GLN 94 -4.216 33.916 11.568 772 HG2 GLN 94 HG2 GLN 94 -5.973 35.018 12.672 773 HG3 GLN 94 HG3 GLN 94 -6.431 33.329 12.508 774 HE21 GLN 94 HE21 GLN 94 -7.431 34.247 15.930 775 HE22 GLN 94 HE22 GLN 94 -7.986 34.460 14.276 776 H TYR 95 H TYR 95 -3.536 31.290 10.524 777 HA TYR 95 HA TYR 95 -5.843 29.788 9.999 778 HB2 TYR 95 HB2 TYR 95 -4.034 30.121 8.403 779 HB3 TYR 95 HB3 TYR 95 -2.884 29.314 9.438 780 HD1 TYR 95 HD1 TYR 95 -2.650 26.906 9.487 781 HD2 TYR 95 HD2 TYR 95 -5.814 28.773 7.214 782 HE1 TYR 95 HE1 TYR 95 -3.119 24.738 8.351 783 HE2 TYR 95 HE2 TYR 95 -6.278 26.598 6.084 784 HH TYR 95 HH TYR 95 -5.706 24.415 5.898 785 H MET 96 H MET 96 -3.104 28.918 12.112 786 HA MET 96 HA MET 96 -3.844 26.256 12.839 787 HB2 MET 96 HB2 MET 96 -2.319 28.450 14.327 788 HB3 MET 96 HB3 MET 96 -2.385 26.770 14.833 789 HG2 MET 96 HG2 MET 96 -1.126 27.763 12.270 790 HG3 MET 96 HG3 MET 96 -0.309 27.112 13.689 791 HE1 MET 96 HE1 MET 96 -2.654 24.606 14.243 792 HE2 MET 96 HE2 MET 96 -1.607 23.330 13.617 793 HE3 MET 96 HE3 MET 96 -0.916 24.619 14.630 794 H ILE 97 H ILE 97 -5.093 29.361 13.987 795 HA ILE 97 HA ILE 97 -6.098 28.409 16.490 796 HB ILE 97 HB ILE 97 -6.125 30.888 15.239 797 HG12 ILE 97 HG12 ILE 97 -7.548 31.554 17.295 798 HG13 ILE 97 HG13 ILE 97 -7.465 29.844 17.745 799 HG21 ILE 97 HG21 ILE 97 -9.018 29.984 15.494 800 HG22 ILE 97 HG22 ILE 97 -8.459 31.631 15.145 801 HG23 ILE 97 HG23 ILE 97 -8.176 30.346 13.960 802 HD11 ILE 97 HD11 ILE 97 -4.931 30.042 17.582 803 HD12 ILE 97 HD12 ILE 97 -5.131 31.772 17.290 804 HD13 ILE 97 HD13 ILE 97 -5.634 31.059 18.847 805 H GLN 98 H GLN 98 -7.262 27.943 13.181 806 HA GLN 98 HA GLN 98 -9.861 27.021 13.875 807 HB2 GLN 98 HB2 GLN 98 -8.152 26.268 11.471 808 HB3 GLN 98 HB3 GLN 98 -9.897 26.042 11.643 809 HG2 GLN 98 HG2 GLN 98 -10.177 28.521 11.876 810 HG3 GLN 98 HG3 GLN 98 -8.451 28.731 11.566 811 HE21 GLN 98 HE21 GLN 98 -9.966 29.299 8.287 812 HE22 GLN 98 HE22 GLN 98 -9.767 30.135 9.822 813 H LYS 99 H LYS 99 -6.769 25.438 14.287 814 HA LYS 99 HA LYS 99 -7.983 22.769 14.668 815 HB2 LYS 99 HB2 LYS 99 -5.089 23.641 15.104 816 HB3 LYS 99 HB3 LYS 99 -5.701 22.008 15.027 817 HG2 LYS 99 HG2 LYS 99 -5.343 23.998 12.772 818 HG3 LYS 99 HG3 LYS 99 -4.651 22.401 12.940 819 HD2 LYS 99 HD2 LYS 99 -7.526 23.110 12.196 820 HD3 LYS 99 HD3 LYS 99 -6.294 22.363 11.180 821 HE2 LYS 99 HE2 LYS 99 -6.327 20.385 12.838 822 HE3 LYS 99 HE3 LYS 99 -7.753 21.149 13.558 823 HZ1 LYS 99 HZ1 LYS 99 -7.509 19.812 10.991 824 HZ2 LYS 99 HZ2 LYS 99 -8.764 19.850 12.063 825 HZ3 LYS 99 HZ3 LYS 99 -8.542 21.096 11.050 826 H VAL 100 H VAL 100 -6.439 25.380 16.612 827 HA VAL 100 HA VAL 100 -6.982 24.173 19.132 828 HB VAL 100 HB VAL 100 -6.394 26.870 18.103 829 HG11 VAL 100 HG11 VAL 100 -7.816 26.795 20.782 830 HG12 VAL 100 HG12 VAL 100 -6.853 28.142 20.126 831 HG13 VAL 100 HG13 VAL 100 -8.328 27.659 19.317 832 HG21 VAL 100 HG21 VAL 100 -4.888 26.754 20.176 833 HG22 VAL 100 HG22 VAL 100 -5.610 25.197 20.536 834 HG23 VAL 100 HG23 VAL 100 -4.689 25.414 19.038 835 H MET 101 H MET 101 -9.061 26.333 17.234 836 HA MET 101 HA MET 101 -11.387 26.268 18.752 837 HB2 MET 101 HB2 MET 101 -10.911 26.672 15.806 838 HB3 MET 101 HB3 MET 101 -12.517 26.781 16.537 839 HG2 MET 101 HG2 MET 101 -11.701 28.492 18.126 840 HG3 MET 101 HG3 MET 101 -10.133 28.486 17.321 841 HE1 MET 101 HE1 MET 101 -10.375 31.105 17.148 842 HE2 MET 101 HE2 MET 101 -11.705 31.939 16.316 843 HE3 MET 101 HE3 MET 101 -12.010 31.088 17.844 844 H GLU 102 H GLU 102 -10.083 23.608 17.016 845 HA GLU 102 HA GLU 102 -12.682 22.587 16.335 846 HB2 GLU 102 HB2 GLU 102 -10.226 22.289 15.138 847 HB3 GLU 102 HB3 GLU 102 -10.297 20.782 16.026 848 HG2 GLU 102 HG2 GLU 102 -12.794 20.771 14.910 849 HG3 GLU 102 HG3 GLU 102 -11.953 21.774 13.727 850 H TYR 103 H TYR 103 -10.335 21.528 18.767 851 HA TYR 103 HA TYR 103 -12.421 19.842 19.981 852 HB2 TYR 103 HB2 TYR 103 -11.272 18.340 18.413 853 HB3 TYR 103 HB3 TYR 103 -9.721 18.767 19.103 854 HD1 TYR 103 HD1 TYR 103 -9.096 18.019 21.428 855 HD2 TYR 103 HD2 TYR 103 -12.706 16.697 19.463 856 HE1 TYR 103 HE1 TYR 103 -9.312 16.159 23.071 857 HE2 TYR 103 HE2 TYR 103 -12.894 14.817 21.079 858 HH TYR 103 HH TYR 103 -11.884 13.704 22.816 859 H LEU 104 H LEU 104 -9.080 20.983 20.234 860 HA LEU 104 HA LEU 104 -8.698 20.925 23.027 861 HB2 LEU 104 HB2 LEU 104 -6.955 21.324 21.432 862 HB3 LEU 104 HB3 LEU 104 -7.758 22.687 20.731 863 HG LEU 104 HG LEU 104 -5.725 23.241 21.981 864 HD11 LEU 104 HD11 LEU 104 -6.509 25.212 22.901 865 HD12 LEU 104 HD12 LEU 104 -7.805 24.810 21.748 866 HD13 LEU 104 HD13 LEU 104 -8.025 24.534 23.486 867 HD21 LEU 104 HD21 LEU 104 -7.277 22.444 24.486 868 HD22 LEU 104 HD22 LEU 104 -5.874 21.611 23.769 869 HD23 LEU 104 HD23 LEU 104 -5.690 23.245 24.421 870 H LYS 105 H LYS 105 -10.229 23.440 21.031 871 HA LYS 105 HA LYS 105 -11.107 25.238 23.013 872 HB2 LYS 105 HB2 LYS 105 -10.959 25.610 20.636 873 HB3 LYS 105 HB3 LYS 105 -12.211 24.413 20.265 874 HG2 LYS 105 HG2 LYS 105 -13.206 26.530 19.985 875 HG3 LYS 105 HG3 LYS 105 -13.812 26.010 21.562 876 HD2 LYS 105 HD2 LYS 105 -12.030 27.339 22.667 877 HD3 LYS 105 HD3 LYS 105 -11.393 27.819 21.068 878 HE2 LYS 105 HE2 LYS 105 -13.543 28.930 20.537 879 HE3 LYS 105 HE3 LYS 105 -14.212 28.434 22.098 880 HZ1 LYS 105 HZ1 LYS 105 -12.549 29.818 23.191 881 HZ2 LYS 105 HZ2 LYS 105 -11.900 30.268 21.760 882 HZ3 LYS 105 HZ3 LYS 105 -13.409 30.716 22.151 883 H SER 106 H SER 106 -12.772 22.465 21.678 884 HA SER 106 HA SER 106 -15.384 23.035 22.504 885 HB2 SER 106 HB2 SER 106 -14.649 21.342 20.790 886 HB3 SER 106 HB3 SER 106 -14.247 20.241 22.118 887 HG SER 106 HG SER 106 -16.475 20.465 22.790 888 H SER 107 H SER 107 -12.869 21.737 24.500 889 HA SER 107 HA SER 107 -12.737 21.087 26.644 890 HB2 SER 107 HB2 SER 107 -13.155 23.486 26.795 891 HB3 SER 107 HB3 SER 107 -14.899 23.177 26.971 892 HG SER 107 HG SER 107 -13.951 23.412 28.991 893 H LYS 108 H LYS 108 -13.393 18.919 26.425 894 HA LYS 108 HA LYS 108 -16.027 18.153 27.563 895 HB2 LYS 108 HB2 LYS 108 -13.648 16.457 26.667 896 HB3 LYS 108 HB3 LYS 108 -15.145 15.829 27.378 897 HG2 LYS 108 HG2 LYS 108 -16.441 16.962 25.535 898 HG3 LYS 108 HG3 LYS 108 -14.900 17.359 24.753 899 HD2 LYS 108 HD2 LYS 108 -14.355 14.942 24.598 900 HD3 LYS 108 HD3 LYS 108 -15.875 14.550 25.435 901 HE2 LYS 108 HE2 LYS 108 -17.131 15.732 23.587 902 HE3 LYS 108 HE3 LYS 108 -15.602 15.933 22.722 903 HZ1 LYS 108 HZ1 LYS 108 -15.416 13.490 22.686 904 HZ2 LYS 108 HZ2 LYS 108 -16.839 13.338 23.466 905 HZ3 LYS 108 HZ3 LYS 108 -16.798 13.970 21.969 906 H SER 109 H SER 109 -15.429 19.683 29.219 907 HA SER 109 HA SER 109 -14.862 20.315 31.319 908 HB2 SER 109 HB2 SER 109 -14.570 17.364 31.958 909 HB3 SER 109 HB3 SER 109 -14.675 18.694 33.123 910 HG SER 109 HG SER 109 -16.693 17.693 32.763 911 H LEU 110 H LEU 110 -12.943 20.827 29.601 912 HA LEU 110 HA LEU 110 -10.376 19.737 30.153 913 HB2 LEU 110 HB2 LEU 110 -11.109 21.043 28.097 914 HB3 LEU 110 HB3 LEU 110 -11.042 22.513 29.073 915 HG LEU 110 HG LEU 110 -8.596 22.144 29.428 916 HD11 LEU 110 HD11 LEU 110 -9.118 19.739 27.620 917 HD12 LEU 110 HD12 LEU 110 -7.522 20.462 27.790 918 HD13 LEU 110 HD13 LEU 110 -8.309 19.755 29.205 919 HD21 LEU 110 HD21 LEU 110 -9.448 22.085 26.511 920 HD22 LEU 110 HD22 LEU 110 -9.461 23.524 27.554 921 HD23 LEU 110 HD23 LEU 110 -7.927 22.735 27.161 922 H ASP 111 H ASP 111 -8.841 20.281 31.610 923 HA ASP 111 HA ASP 111 -9.478 21.753 33.962 924 HB2 ASP 111 HB2 ASP 111 -6.743 20.938 32.921 925 HB3 ASP 111 HB3 ASP 111 -7.087 21.590 34.523 926 H LEU 112 H LEU 112 -9.084 23.726 34.621 927 HA LEU 112 HA LEU 112 -8.809 25.948 32.880 928 HB2 LEU 112 HB2 LEU 112 -8.177 25.649 35.843 929 HB3 LEU 112 HB3 LEU 112 -8.114 27.192 35.019 930 HG LEU 112 HG LEU 112 -10.634 25.471 35.020 931 HD11 LEU 112 HD11 LEU 112 -10.001 25.986 37.347 932 HD12 LEU 112 HD12 LEU 112 -9.869 27.712 36.936 933 HD13 LEU 112 HD13 LEU 112 -11.449 26.890 36.866 934 HD21 LEU 112 HD21 LEU 112 -10.168 28.446 34.531 935 HD22 LEU 112 HD22 LEU 112 -10.572 27.234 33.296 936 HD23 LEU 112 HD23 LEU 112 -11.749 27.638 34.551 937 H ASN 113 H ASN 113 -6.340 24.406 34.906 938 HA ASN 113 HA ASN 113 -4.277 26.162 34.311 939 HB2 ASN 113 HB2 ASN 113 -4.011 23.161 34.838 940 HB3 ASN 113 HB3 ASN 113 -2.799 24.390 35.210 941 HD21 ASN 113 HD21 ASN 113 -4.463 25.391 38.227 942 HD22 ASN 113 HD22 ASN 113 -3.220 25.826 37.059 943 H THR 114 H THR 114 -5.498 23.532 32.359 944 HA THR 114 HA THR 114 -3.305 23.527 30.392 945 HB THR 114 HB THR 114 -5.921 22.071 30.803 946 HG1 THR 114 HG1 THR 114 -4.335 20.350 30.458 947 HG21 THR 114 HG21 THR 114 -4.283 22.000 28.248 948 HG22 THR 114 HG22 THR 114 -5.560 20.831 28.731 949 HG23 THR 114 HG23 THR 114 -5.977 22.520 28.448 950 H ARG 115 H ARG 115 -6.771 24.537 30.468 951 HA ARG 115 HA ARG 115 -6.784 25.728 27.872 952 HB2 ARG 115 HB2 ARG 115 -8.788 25.158 29.182 953 HB3 ARG 115 HB3 ARG 115 -8.439 26.472 30.324 954 HG2 ARG 115 HG2 ARG 115 -8.707 28.170 28.572 955 HG3 ARG 115 HG3 ARG 115 -8.775 26.905 27.317 956 HD2 ARG 115 HD2 ARG 115 -10.768 26.168 29.165 957 HD3 ARG 115 HD3 ARG 115 -10.858 27.932 29.103 958 HE ARG 115 HE ARG 115 -10.703 26.677 26.441 959 HH11 ARG 115 HH11 ARG 115 -12.944 27.731 28.943 960 HH12 ARG 115 HH12 ARG 115 -14.327 27.592 27.886 961 HH21 ARG 115 HH21 ARG 115 -12.635 26.295 25.241 962 HH22 ARG 115 HH22 ARG 115 -14.131 26.887 25.884 963 H ILE 116 H ILE 116 -5.987 27.136 30.970 964 HA ILE 116 HA ILE 116 -5.572 29.798 30.348 965 HB ILE 116 HB ILE 116 -4.358 27.823 32.209 966 HG12 ILE 116 HG12 ILE 116 -5.599 30.612 32.570 967 HG13 ILE 116 HG13 ILE 116 -6.541 29.138 32.483 968 HG21 ILE 116 HG21 ILE 116 -2.820 29.422 33.261 969 HG22 ILE 116 HG22 ILE 116 -2.342 28.929 31.638 970 HG23 ILE 116 HG23 ILE 116 -3.075 30.540 31.895 971 HD11 ILE 116 HD11 ILE 116 -4.554 29.834 34.684 972 HD12 ILE 116 HD12 ILE 116 -6.319 29.748 34.807 973 HD13 ILE 116 HD13 ILE 116 -5.383 28.268 34.529 974 H SER 117 H SER 117 -3.501 27.111 29.470 975 HA SER 117 HA SER 117 -1.198 28.620 28.673 976 HB2 SER 117 HB2 SER 117 -2.121 25.933 27.577 977 HB3 SER 117 HB3 SER 117 -0.504 26.630 27.419 978 HG SER 117 HG SER 117 -0.690 25.095 29.115 979 H VAL 118 H VAL 118 -4.149 27.644 26.955 980 HA VAL 118 HA VAL 118 -3.181 28.706 24.374 981 HB VAL 118 HB VAL 118 -4.314 26.687 24.216 982 HG11 VAL 118 HG11 VAL 118 -6.753 27.810 25.640 983 HG12 VAL 118 HG12 VAL 118 -6.639 26.235 24.881 984 HG13 VAL 118 HG13 VAL 118 -5.587 26.587 26.255 985 HG21 VAL 118 HG21 VAL 118 -6.044 27.278 22.565 986 HG22 VAL 118 HG22 VAL 118 -6.306 28.845 23.326 987 HG23 VAL 118 HG23 VAL 118 -4.780 28.510 22.496 988 H ILE 119 H ILE 119 -5.832 29.530 26.758 989 HA ILE 119 HA ILE 119 -6.619 31.764 25.281 990 HB ILE 119 HB ILE 119 -7.587 30.271 27.278 991 HG12 ILE 119 HG12 ILE 119 -9.121 32.022 28.018 992 HG13 ILE 119 HG13 ILE 119 -8.148 33.235 27.144 993 HG21 ILE 119 HG21 ILE 119 -7.318 30.810 29.419 994 HG22 ILE 119 HG22 ILE 119 -5.697 30.973 28.725 995 HG23 ILE 119 HG23 ILE 119 -6.622 32.440 29.079 996 HD11 ILE 119 HD11 ILE 119 -8.697 32.178 25.010 997 HD12 ILE 119 HD12 ILE 119 -9.444 30.795 25.843 998 HD13 ILE 119 HD13 ILE 119 -10.206 32.407 25.907 999 H GLU 120 H GLU 120 -3.835 31.416 27.432 1000 HA GLU 120 HA GLU 120 -3.234 34.259 27.304 1001 HB2 GLU 120 HB2 GLU 120 -1.720 31.887 28.425 1002 HB3 GLU 120 HB3 GLU 120 -1.036 33.517 28.293 1003 HG2 GLU 120 HG2 GLU 120 -2.967 34.450 29.550 1004 HG3 GLU 120 HG3 GLU 120 -3.581 32.819 29.819 1005 H THR 121 H THR 121 -1.942 31.331 25.565 1006 HA THR 121 HA THR 121 0.213 32.555 24.305 1007 HB THR 121 HB THR 121 -0.635 30.117 24.130 1008 HG1 THR 121 HG1 THR 121 0.525 29.822 22.269 1009 HG21 THR 121 HG21 THR 121 -1.637 30.890 21.369 1010 HG22 THR 121 HG22 THR 121 -1.857 29.391 22.298 1011 HG23 THR 121 HG23 THR 121 -2.776 30.839 22.695 1012 H ILE 122 H ILE 122 -3.126 32.654 23.255 1013 HA ILE 122 HA ILE 122 -2.664 34.195 20.880 1014 HB ILE 122 HB ILE 122 -4.390 32.424 21.251 1015 HG12 ILE 122 HG12 ILE 122 -6.199 33.352 20.053 1016 HG13 ILE 122 HG13 ILE 122 -5.782 35.023 20.519 1017 HG21 ILE 122 HG21 ILE 122 -5.874 34.436 22.957 1018 HG22 ILE 122 HG22 ILE 122 -6.402 32.811 22.472 1019 HG23 ILE 122 HG23 ILE 122 -5.005 32.988 23.523 1020 HD11 ILE 122 HD11 ILE 122 -3.826 35.002 19.099 1021 HD12 ILE 122 HD12 ILE 122 -4.017 33.258 18.777 1022 HD13 ILE 122 HD13 ILE 122 -5.208 34.427 18.156 1023 H ARG 123 H ARG 123 -3.522 35.011 24.184 1024 HA ARG 123 HA ARG 123 -4.126 37.836 23.729 1025 HB2 ARG 123 HB2 ARG 123 -4.978 36.456 25.633 1026 HB3 ARG 123 HB3 ARG 123 -3.337 36.310 26.268 1027 HG2 ARG 123 HG2 ARG 123 -3.243 38.768 26.597 1028 HG3 ARG 123 HG3 ARG 123 -4.867 38.925 25.894 1029 HD2 ARG 123 HD2 ARG 123 -5.777 37.480 27.698 1030 HD3 ARG 123 HD3 ARG 123 -4.175 37.318 28.406 1031 HE ARG 123 HE ARG 123 -5.950 39.688 28.478 1032 HH11 ARG 123 HH11 ARG 123 -2.705 38.552 29.262 1033 HH12 ARG 123 HH12 ARG 123 -2.433 39.907 30.326 1034 HH21 ARG 123 HH21 ARG 123 -5.491 41.350 29.825 1035 HH22 ARG 123 HH22 ARG 123 -3.941 41.426 30.624 1036 H VAL 124 H VAL 124 -1.228 35.993 24.643 1037 HA VAL 124 HA VAL 124 0.454 38.289 25.083 1038 HB VAL 124 HB VAL 124 1.016 35.318 24.816 1039 HG11 VAL 124 HG11 VAL 124 3.092 36.435 24.172 1040 HG12 VAL 124 HG12 VAL 124 2.963 37.537 25.565 1041 HG13 VAL 124 HG13 VAL 124 3.249 35.797 25.809 1042 HG21 VAL 124 HG21 VAL 124 1.355 35.428 27.238 1043 HG22 VAL 124 HG22 VAL 124 1.087 37.185 27.233 1044 HG23 VAL 124 HG23 VAL 124 -0.238 36.071 26.857 1045 H VAL 125 H VAL 125 0.492 35.857 22.373 1046 HA VAL 125 HA VAL 125 2.627 37.264 21.093 1047 HB VAL 125 HB VAL 125 0.681 35.249 19.931 1048 HG11 VAL 125 HG11 VAL 125 1.727 36.466 18.067 1049 HG12 VAL 125 HG12 VAL 125 3.325 36.287 18.812 1050 HG13 VAL 125 HG13 VAL 125 2.464 34.861 18.205 1051 HG21 VAL 125 HG21 VAL 125 2.081 34.375 21.797 1052 HG22 VAL 125 HG22 VAL 125 2.573 33.670 20.257 1053 HG23 VAL 125 HG23 VAL 125 3.542 34.970 20.980 1054 H THR 126 H THR 126 -0.869 37.769 20.827 1055 HA THR 126 HA THR 126 -0.659 39.502 18.497 1056 HB THR 126 HB THR 126 -2.962 40.191 19.017 1057 HG1 THR 126 HG1 THR 126 -3.136 38.218 20.975 1058 HG21 THR 126 HG21 THR 126 -4.046 37.977 18.722 1059 HG22 THR 126 HG22 THR 126 -2.682 38.258 17.623 1060 HG23 THR 126 HG23 THR 126 -2.486 37.187 19.030 1061 H GLU 127 H GLU 127 0.369 40.129 21.714 1062 HA GLU 127 HA GLU 127 -0.194 42.955 21.866 1063 HB2 GLU 127 HB2 GLU 127 2.153 41.348 22.928 1064 HB3 GLU 127 HB3 GLU 127 1.835 43.015 23.355 1065 HG2 GLU 127 HG2 GLU 127 -0.160 40.790 23.903 1066 HG3 GLU 127 HG3 GLU 127 1.140 41.207 25.010 1067 H ASN 128 H ASN 128 1.988 41.117 19.909 1068 HA ASN 128 HA ASN 128 3.818 43.235 19.177 1069 HB2 ASN 128 HB2 ASN 128 3.125 40.529 17.937 1070 HB3 ASN 128 HB3 ASN 128 4.460 41.555 17.412 1071 HD21 ASN 128 HD21 ASN 128 4.932 39.281 20.732 1072 HD22 ASN 128 HD22 ASN 128 3.446 39.231 19.777 1073 H LYS 129 H LYS 129 0.536 42.738 18.274 1074 HA LYS 129 HA LYS 129 0.716 44.846 16.243 1075 HB2 LYS 129 HB2 LYS 129 1.124 42.588 15.081 1076 HB3 LYS 129 HB3 LYS 129 -0.548 42.191 15.463 1077 HG2 LYS 129 HG2 LYS 129 -0.452 43.000 13.203 1078 HG3 LYS 129 HG3 LYS 129 -1.257 44.244 14.156 1079 HD2 LYS 129 HD2 LYS 129 0.818 45.583 14.229 1080 HD3 LYS 129 HD3 LYS 129 1.673 44.314 13.324 1081 HE2 LYS 129 HE2 LYS 129 0.096 44.620 11.423 1082 HE3 LYS 129 HE3 LYS 129 -0.783 45.850 12.334 1083 HZ1 LYS 129 HZ1 LYS 129 2.046 46.074 11.467 1084 HZ2 LYS 129 HZ2 LYS 129 0.784 46.849 10.797 1085 HZ3 LYS 129 HZ3 LYS 129 1.238 47.212 12.314 1086 H ILE 130 H ILE 130 -0.308 45.397 18.550 1087 HA ILE 130 HA ILE 130 -3.142 45.009 18.765 1088 HB ILE 130 HB ILE 130 -3.094 46.762 20.444 1089 HG12 ILE 130 HG12 ILE 130 -0.147 47.163 19.764 1090 HG13 ILE 130 HG13 ILE 130 -1.449 48.299 19.412 1091 HG21 ILE 130 HG21 ILE 130 -1.790 45.583 22.081 1092 HG22 ILE 130 HG22 ILE 130 -2.426 44.390 20.938 1093 HG23 ILE 130 HG23 ILE 130 -0.732 44.902 20.833 1094 HD11 ILE 130 HD11 ILE 130 -1.908 48.485 21.879 1095 HD12 ILE 130 HD12 ILE 130 -0.461 47.483 22.176 1096 HD13 ILE 130 HD13 ILE 130 -0.306 49.060 21.386 1097 H PHE 131 H PHE 131 -4.787 46.477 18.385 1098 HA PHE 131 HA PHE 131 -4.763 47.786 15.877 1099 HB2 PHE 131 HB2 PHE 131 -7.040 48.410 16.384 1100 HB3 PHE 131 HB3 PHE 131 -6.747 46.763 16.910 1101 HD1 PHE 131 HD1 PHE 131 -7.371 50.250 18.011 1102 HD2 PHE 131 HD2 PHE 131 -6.836 46.170 19.304 1103 HE1 PHE 131 HE1 PHE 131 -8.180 50.861 20.278 1104 HE2 PHE 131 HE2 PHE 131 -7.627 46.792 21.578 1105 HZ PHE 131 HZ PHE 131 -8.291 49.134 22.069 1106 H VAL 132 H VAL 132 -3.932 49.092 18.977 1107 HA VAL 132 HA VAL 132 -4.538 51.836 18.648 1108 HB VAL 132 HB VAL 132 -2.503 50.342 20.319 1109 HG11 VAL 132 HG11 VAL 132 -2.257 52.392 21.703 1110 HG12 VAL 132 HG12 VAL 132 -1.539 52.524 20.098 1111 HG13 VAL 132 HG13 VAL 132 -3.108 53.315 20.443 1112 HG21 VAL 132 HG21 VAL 132 -4.050 50.866 22.161 1113 HG22 VAL 132 HG22 VAL 132 -5.114 51.737 21.040 1114 HG23 VAL 132 HG23 VAL 132 -4.891 49.983 20.878 1115 H GLU 133 H GLU 133 -1.453 50.199 18.092 1116 HA GLU 133 HA GLU 133 -0.002 52.471 17.272 1117 HB2 GLU 133 HB2 GLU 133 0.545 49.524 16.751 1118 HB3 GLU 133 HB3 GLU 133 1.703 50.839 16.514 1119 HG2 GLU 133 HG2 GLU 133 1.444 51.445 18.940 1120 HG3 GLU 133 HG3 GLU 133 0.450 50.001 19.162 1121 H VAL 134 H VAL 134 0.674 53.238 15.363 1122 HA VAL 134 HA VAL 134 0.104 52.106 12.801 1123 HB VAL 134 HB VAL 134 -2.083 52.977 13.089 1124 HG11 VAL 134 HG11 VAL 134 -0.988 55.766 13.599 1125 HG12 VAL 134 HG12 VAL 134 -2.683 55.282 13.443 1126 HG13 VAL 134 HG13 VAL 134 -1.734 54.708 14.820 1127 HG21 VAL 134 HG21 VAL 134 -2.289 54.404 11.156 1128 HG22 VAL 134 HG22 VAL 134 -0.590 54.894 11.263 1129 HG23 VAL 134 HG23 VAL 134 -1.012 53.210 10.859 1130 H GLU 135 H GLU 135 2.061 52.212 12.242 1131 HA GLU 135 HA GLU 135 4.133 52.815 11.687 1132 HB2 GLU 135 HB2 GLU 135 4.365 54.556 10.104 1133 HB3 GLU 135 HB3 GLU 135 2.823 53.743 9.863 1134 HG2 GLU 135 HG2 GLU 135 1.597 55.611 10.772 1135 HG3 GLU 135 HG3 GLU 135 3.068 56.379 11.379 1136 H ARG 136 H ARG 136 3.590 53.427 14.394 1137 HA ARG 136 HA ARG 136 5.459 55.658 15.052 1138 HB2 ARG 136 HB2 ARG 136 3.848 53.865 16.922 1139 HB3 ARG 136 HB3 ARG 136 4.832 55.253 17.380 1140 HG2 ARG 136 HG2 ARG 136 2.195 55.275 15.881 1141 HG3 ARG 136 HG3 ARG 136 2.584 55.969 17.454 1142 HD2 ARG 136 HD2 ARG 136 4.238 57.498 16.219 1143 HD3 ARG 136 HD3 ARG 136 3.491 56.951 14.714 1144 HE ARG 136 HE ARG 136 2.350 58.721 16.779 1145 HH11 ARG 136 HH11 ARG 136 0.218 58.036 13.508 1146 HH12 ARG 136 HH12 ARG 136 1.436 56.854 13.906 1147 HH21 ARG 136 HH21 ARG 136 0.698 60.011 16.234 1148 HH22 ARG 136 HH22 ARG 136 -0.244 59.689 14.803 Start of MODEL 11 1 H1 MET 1 H1 MET 1 9.953 1.806 -26.308 2 H2 MET 1 H2 MET 1 11.070 2.572 -25.386 3 H3 MET 1 H3 MET 1 10.600 1.062 -24.990 4 HA MET 1 HA MET 1 8.909 3.469 -24.909 5 HB2 MET 1 HB2 MET 1 8.247 0.603 -24.078 6 HB3 MET 1 HB3 MET 1 7.251 2.017 -23.732 7 HG2 MET 1 HG2 MET 1 7.072 2.456 -26.191 8 HG3 MET 1 HG3 MET 1 7.898 0.926 -26.496 9 HE1 MET 1 HE1 MET 1 6.872 -1.453 -26.110 10 HE2 MET 1 HE2 MET 1 6.657 -1.126 -24.370 11 HE3 MET 1 HE3 MET 1 5.304 -1.753 -25.331 12 H SER 2 H SER 2 8.349 4.176 -22.767 13 HA SER 2 HA SER 2 8.893 4.977 -20.743 14 HB2 SER 2 HB2 SER 2 8.401 2.610 -20.107 15 HB3 SER 2 HB3 SER 2 10.144 2.293 -20.108 16 HG SER 2 HG SER 2 9.271 2.862 -18.040 17 H ARG 3 H ARG 3 10.851 5.129 -19.040 18 HA ARG 3 HA ARG 3 13.473 5.530 -20.293 19 HB2 ARG 3 HB2 ARG 3 13.567 7.959 -19.881 20 HB3 ARG 3 HB3 ARG 3 12.359 7.543 -21.091 21 HG2 ARG 3 HG2 ARG 3 10.542 7.831 -19.449 22 HG3 ARG 3 HG3 ARG 3 11.724 8.169 -18.166 23 HD2 ARG 3 HD2 ARG 3 12.523 10.147 -19.417 24 HD3 ARG 3 HD3 ARG 3 11.336 9.817 -20.698 25 HE ARG 3 HE ARG 3 9.786 9.960 -18.409 26 HH11 ARG 3 HH11 ARG 3 11.978 12.243 -19.941 27 HH12 ARG 3 HH12 ARG 3 11.109 13.610 -19.288 28 HH21 ARG 3 HH21 ARG 3 8.764 11.749 -17.632 29 HH22 ARG 3 HH22 ARG 3 9.365 13.338 -18.030 30 H ASP 4 H ASP 4 15.105 6.239 -18.827 31 HA ASP 4 HA ASP 4 14.779 5.197 -16.091 32 HB2 ASP 4 HB2 ASP 4 17.193 5.377 -15.955 33 HB3 ASP 4 HB3 ASP 4 16.710 4.515 -17.400 34 H ALA 5 H ALA 5 13.199 7.450 -16.422 35 HA ALA 5 HA ALA 5 14.438 9.764 -15.166 36 HB1 ALA 5 HB1 ALA 5 11.522 8.914 -15.461 37 HB2 ALA 5 HB2 ALA 5 12.071 10.487 -14.843 38 HB3 ALA 5 HB3 ALA 5 12.426 10.027 -16.517 39 HA PRO 6 HA PRO 6 14.517 7.824 -11.161 40 HB2 PRO 6 HB2 PRO 6 15.238 9.892 -9.548 41 HB3 PRO 6 HB3 PRO 6 16.309 9.324 -10.860 42 HG2 PRO 6 HG2 PRO 6 14.366 11.659 -10.921 43 HG3 PRO 6 HG3 PRO 6 16.091 11.651 -11.414 44 HD2 PRO 6 HD2 PRO 6 13.982 11.306 -13.168 45 HD3 PRO 6 HD3 PRO 6 15.599 10.569 -13.430 46 H ILE 7 H ILE 7 13.568 8.148 -8.840 47 HA ILE 7 HA ILE 7 10.755 8.670 -8.991 48 HB ILE 7 HB ILE 7 12.405 8.269 -6.466 49 HG12 ILE 7 HG12 ILE 7 12.952 6.361 -7.757 50 HG13 ILE 7 HG13 ILE 7 11.748 5.864 -6.587 51 HG21 ILE 7 HG21 ILE 7 10.262 7.394 -5.548 52 HG22 ILE 7 HG22 ILE 7 10.156 9.088 -6.009 53 HG23 ILE 7 HG23 ILE 7 9.440 7.845 -7.054 54 HD11 ILE 7 HD11 ILE 7 9.993 5.958 -8.389 55 HD12 ILE 7 HD12 ILE 7 11.277 6.386 -9.549 56 HD13 ILE 7 HD13 ILE 7 11.304 4.816 -8.737 57 H LYS 8 H LYS 8 10.118 10.661 -9.349 58 HA LYS 8 HA LYS 8 11.527 13.002 -8.379 59 HB2 LYS 8 HB2 LYS 8 9.076 12.578 -10.115 60 HB3 LYS 8 HB3 LYS 8 9.634 14.191 -9.702 61 HG2 LYS 8 HG2 LYS 8 11.691 12.314 -10.859 62 HG3 LYS 8 HG3 LYS 8 10.424 12.914 -11.924 63 HD2 LYS 8 HD2 LYS 8 12.362 14.328 -12.095 64 HD3 LYS 8 HD3 LYS 8 11.009 15.240 -11.417 65 HE2 LYS 8 HE2 LYS 8 11.963 15.057 -9.154 66 HE3 LYS 8 HE3 LYS 8 13.277 14.031 -9.764 67 HZ1 LYS 8 HZ1 LYS 8 13.986 16.341 -9.546 68 HZ2 LYS 8 HZ2 LYS 8 14.023 15.914 -11.112 69 HZ3 LYS 8 HZ3 LYS 8 12.821 16.861 -10.556 70 H ALA 9 H ALA 9 10.957 11.964 -6.065 71 HA ALA 9 HA ALA 9 8.601 13.312 -4.897 72 HB1 ALA 9 HB1 ALA 9 9.519 12.649 -2.765 73 HB2 ALA 9 HB2 ALA 9 9.319 11.251 -3.860 74 HB3 ALA 9 HB3 ALA 9 10.942 11.932 -3.560 75 H ASP 10 H ASP 10 9.069 15.287 -5.856 76 HA ASP 10 HA ASP 10 11.348 16.919 -5.370 77 HB2 ASP 10 HB2 ASP 10 9.637 17.073 -7.216 78 HB3 ASP 10 HB3 ASP 10 8.480 17.681 -6.008 79 H LYS 11 H LYS 11 8.594 16.275 -3.389 80 HA LYS 11 HA LYS 11 8.491 18.734 -1.921 81 HB2 LYS 11 HB2 LYS 11 6.893 17.686 -0.470 82 HB3 LYS 11 HB3 LYS 11 6.552 17.365 -2.148 83 HG2 LYS 11 HG2 LYS 11 8.022 15.091 -1.348 84 HG3 LYS 11 HG3 LYS 11 7.049 15.502 0.078 85 HD2 LYS 11 HD2 LYS 11 5.008 15.583 -1.428 86 HD3 LYS 11 HD3 LYS 11 6.037 15.025 -2.752 87 HE2 LYS 11 HE2 LYS 11 6.605 13.006 -1.177 88 HE3 LYS 11 HE3 LYS 11 5.180 13.507 -0.238 89 HZ1 LYS 11 HZ1 LYS 11 5.184 12.764 -3.122 90 HZ2 LYS 11 HZ2 LYS 11 4.601 11.854 -1.919 91 HZ3 LYS 11 HZ3 LYS 11 3.866 13.251 -2.311 92 H ASP 12 H ASP 12 8.902 19.178 0.243 93 HA ASP 12 HA ASP 12 11.642 18.625 0.996 94 HB2 ASP 12 HB2 ASP 12 9.445 20.148 2.452 95 HB3 ASP 12 HB3 ASP 12 11.168 20.228 2.815 96 H TYR 13 H TYR 13 11.553 18.608 3.836 97 HA TYR 13 HA TYR 13 11.361 15.894 4.525 98 HB2 TYR 13 HB2 TYR 13 11.068 18.291 6.370 99 HB3 TYR 13 HB3 TYR 13 11.509 16.659 6.849 100 HD1 TYR 13 HD1 TYR 13 12.805 19.835 6.198 101 HD2 TYR 13 HD2 TYR 13 13.621 15.663 5.446 102 HE1 TYR 13 HE1 TYR 13 15.204 20.372 5.790 103 HE2 TYR 13 HE2 TYR 13 16.018 16.202 5.055 104 HH TYR 13 HH TYR 13 17.584 17.837 4.944 105 H SER 14 H SER 14 8.687 18.139 4.247 106 HA SER 14 HA SER 14 6.697 16.810 5.759 107 HB2 SER 14 HB2 SER 14 5.118 17.812 4.141 108 HB3 SER 14 HB3 SER 14 6.315 18.986 4.718 109 HG SER 14 HG SER 14 5.984 19.032 2.424 110 H GLN 15 H GLN 15 8.489 15.565 3.110 111 HA GLN 15 HA GLN 15 6.670 13.747 1.912 112 HB2 GLN 15 HB2 GLN 15 8.636 12.531 1.223 113 HB3 GLN 15 HB3 GLN 15 8.940 14.257 1.097 114 HG2 GLN 15 HG2 GLN 15 10.101 14.058 3.416 115 HG3 GLN 15 HG3 GLN 15 10.004 12.310 3.198 116 HE21 GLN 15 HE21 GLN 15 12.474 14.452 0.649 117 HE22 GLN 15 HE22 GLN 15 11.004 15.219 1.258 118 H ILE 16 H ILE 16 8.085 13.779 5.114 119 HA ILE 16 HA ILE 16 7.615 11.020 5.786 120 HB ILE 16 HB ILE 16 7.893 13.495 7.535 121 HG12 ILE 16 HG12 ILE 16 10.071 11.445 7.019 122 HG13 ILE 16 HG13 ILE 16 9.841 12.808 5.927 123 HG21 ILE 16 HG21 ILE 16 6.833 11.721 8.801 124 HG22 ILE 16 HG22 ILE 16 7.978 10.521 8.188 125 HG23 ILE 16 HG23 ILE 16 8.525 11.786 9.295 126 HD11 ILE 16 HD11 ILE 16 10.116 14.419 7.738 127 HD12 ILE 16 HD12 ILE 16 10.449 13.088 8.879 128 HD13 ILE 16 HD13 ILE 16 11.536 13.399 7.504 129 H LEU 17 H LEU 17 5.828 14.065 6.577 130 HA LEU 17 HA LEU 17 3.530 12.860 7.723 131 HB2 LEU 17 HB2 LEU 17 4.132 15.378 6.150 132 HB3 LEU 17 HB3 LEU 17 2.564 15.116 6.931 133 HG LEU 17 HG LEU 17 5.185 15.076 8.464 134 HD11 LEU 17 HD11 LEU 17 3.402 17.463 7.892 135 HD12 LEU 17 HD12 LEU 17 4.810 17.406 8.987 136 HD13 LEU 17 HD13 LEU 17 5.039 17.150 7.258 137 HD21 LEU 17 HD21 LEU 17 2.307 15.692 9.299 138 HD22 LEU 17 HD22 LEU 17 3.051 14.113 9.472 139 HD23 LEU 17 HD23 LEU 17 3.722 15.486 10.379 140 H LYS 18 H LYS 18 4.384 13.510 4.332 141 HA LYS 18 HA LYS 18 1.862 12.883 3.121 142 HB2 LYS 18 HB2 LYS 18 4.688 12.778 2.133 143 HB3 LYS 18 HB3 LYS 18 3.299 12.601 1.073 144 HG2 LYS 18 HG2 LYS 18 3.529 15.104 2.780 145 HG3 LYS 18 HG3 LYS 18 4.502 14.945 1.332 146 HD2 LYS 18 HD2 LYS 18 2.561 16.213 0.804 147 HD3 LYS 18 HD3 LYS 18 2.418 14.663 -0.027 148 HE2 LYS 18 HE2 LYS 18 0.809 13.870 1.678 149 HE3 LYS 18 HE3 LYS 18 1.043 15.362 2.614 150 HZ1 LYS 18 HZ1 LYS 18 -0.107 15.222 -0.126 151 HZ2 LYS 18 HZ2 LYS 18 -0.956 15.452 1.241 152 HZ3 LYS 18 HZ3 LYS 18 0.086 16.589 0.738 153 H GLU 19 H GLU 19 4.378 10.806 4.393 154 HA GLU 19 HA GLU 19 3.182 8.493 2.980 155 HB2 GLU 19 HB2 GLU 19 5.189 7.594 2.650 156 HB3 GLU 19 HB3 GLU 19 5.689 9.283 2.732 157 HG2 GLU 19 HG2 GLU 19 6.185 8.890 5.207 158 HG3 GLU 19 HG3 GLU 19 5.841 7.179 4.946 159 H GLU 20 H GLU 20 4.114 9.584 6.295 160 HA GLU 20 HA GLU 20 3.445 6.974 7.365 161 HB2 GLU 20 HB2 GLU 20 4.456 7.642 9.170 162 HB3 GLU 20 HB3 GLU 20 5.057 9.034 8.274 163 HG2 GLU 20 HG2 GLU 20 3.647 10.499 9.177 164 HG3 GLU 20 HG3 GLU 20 2.484 9.314 9.767 165 H PHE 21 H PHE 21 1.682 9.966 6.778 166 HA PHE 21 HA PHE 21 -0.484 9.777 8.427 167 HB2 PHE 21 HB2 PHE 21 -0.311 11.626 6.984 168 HB3 PHE 21 HB3 PHE 21 -0.370 10.628 5.534 169 HD1 PHE 21 HD1 PHE 21 -2.489 11.228 8.617 170 HD2 PHE 21 HD2 PHE 21 -2.386 10.691 4.335 171 HE1 PHE 21 HE1 PHE 21 -4.952 11.526 8.520 172 HE2 PHE 21 HE2 PHE 21 -4.852 10.988 4.243 173 HZ PHE 21 HZ PHE 21 -6.133 11.406 6.334 174 HA PRO 22 HA PRO 22 -3.048 6.596 5.857 175 HB2 PRO 22 HB2 PRO 22 -1.512 4.754 4.449 176 HB3 PRO 22 HB3 PRO 22 -2.427 6.122 3.734 177 HG2 PRO 22 HG2 PRO 22 0.536 5.926 4.392 178 HG3 PRO 22 HG3 PRO 22 -0.241 6.667 2.964 179 HD2 PRO 22 HD2 PRO 22 0.599 8.199 5.008 180 HD3 PRO 22 HD3 PRO 22 -0.931 8.570 4.177 181 H LYS 23 H LYS 23 0.275 5.644 6.660 182 HA LYS 23 HA LYS 23 -0.266 3.045 7.672 183 HB2 LYS 23 HB2 LYS 23 2.066 4.894 8.370 184 HB3 LYS 23 HB3 LYS 23 2.037 3.131 8.512 185 HG2 LYS 23 HG2 LYS 23 1.656 2.926 6.056 186 HG3 LYS 23 HG3 LYS 23 1.718 4.683 5.898 187 HD2 LYS 23 HD2 LYS 23 4.081 4.659 6.720 188 HD3 LYS 23 HD3 LYS 23 4.026 2.875 6.646 189 HE2 LYS 23 HE2 LYS 23 3.290 3.017 4.265 190 HE3 LYS 23 HE3 LYS 23 3.319 4.776 4.347 191 HZ1 LYS 23 HZ1 LYS 23 5.679 2.972 4.629 192 HZ2 LYS 23 HZ2 LYS 23 5.360 3.906 3.342 193 HZ3 LYS 23 HZ3 LYS 23 5.759 4.595 4.767 194 H ILE 24 H ILE 24 -0.394 6.167 9.244 195 HA ILE 24 HA ILE 24 -1.352 4.822 11.714 196 HB ILE 24 HB ILE 24 0.327 5.927 12.485 197 HG12 ILE 24 HG12 ILE 24 -1.673 6.704 13.718 198 HG13 ILE 24 HG13 ILE 24 -0.216 7.633 13.863 199 HG21 ILE 24 HG21 ILE 24 1.321 7.006 10.696 200 HG22 ILE 24 HG22 ILE 24 -0.030 8.147 10.482 201 HG23 ILE 24 HG23 ILE 24 1.051 8.286 11.887 202 HD11 ILE 24 HD11 ILE 24 -1.632 9.355 13.708 203 HD12 ILE 24 HD12 ILE 24 -1.437 9.141 11.967 204 HD13 ILE 24 HD13 ILE 24 -2.852 8.457 12.780 205 H ASP 25 H ASP 25 -2.728 6.597 9.045 206 HA ASP 25 HA ASP 25 -5.120 7.376 10.422 207 HB2 ASP 25 HB2 ASP 25 -4.634 8.047 8.116 208 HB3 ASP 25 HB3 ASP 25 -4.661 6.361 7.590 209 H SER 26 H SER 26 -3.962 4.364 9.039 210 HA SER 26 HA SER 26 -6.028 2.512 9.586 211 HB2 SER 26 HB2 SER 26 -3.020 2.114 9.846 212 HB3 SER 26 HB3 SER 26 -4.237 0.856 9.559 213 HG SER 26 HG SER 26 -3.421 2.954 7.796 214 H LEU 27 H LEU 27 -3.776 4.059 11.850 215 HA LEU 27 HA LEU 27 -4.597 2.374 14.102 216 HB2 LEU 27 HB2 LEU 27 -2.315 2.874 14.195 217 HB3 LEU 27 HB3 LEU 27 -2.540 4.524 13.666 218 HG LEU 27 HG LEU 27 -3.642 5.110 15.798 219 HD11 LEU 27 HD11 LEU 27 -2.683 2.310 16.621 220 HD12 LEU 27 HD12 LEU 27 -3.389 3.527 17.701 221 HD13 LEU 27 HD13 LEU 27 -4.381 2.794 16.452 222 HD21 LEU 27 HD21 LEU 27 -1.189 5.484 15.443 223 HD22 LEU 27 HD22 LEU 27 -1.588 5.173 17.123 224 HD23 LEU 27 HD23 LEU 27 -0.859 3.887 16.135 225 H ALA 28 H ALA 28 -4.849 5.820 13.144 226 HA ALA 28 HA ALA 28 -6.434 6.754 15.211 227 HB1 ALA 28 HB1 ALA 28 -6.521 7.659 12.300 228 HB2 ALA 28 HB2 ALA 28 -6.905 8.642 13.725 229 HB3 ALA 28 HB3 ALA 28 -5.242 8.110 13.447 230 H GLN 29 H GLN 29 -7.558 4.934 12.411 231 HA GLN 29 HA GLN 29 -10.373 5.339 12.950 232 HB2 GLN 29 HB2 GLN 29 -8.989 3.073 11.474 233 HB3 GLN 29 HB3 GLN 29 -10.732 3.334 11.518 234 HG2 GLN 29 HG2 GLN 29 -8.665 5.069 10.152 235 HG3 GLN 29 HG3 GLN 29 -9.971 4.168 9.427 236 HE21 GLN 29 HE21 GLN 29 -10.664 7.956 9.963 237 HE22 GLN 29 HE22 GLN 29 -9.116 7.181 9.591 238 H ASN 30 H ASN 30 -8.148 3.758 14.869 239 HA ASN 30 HA ASN 30 -10.164 2.033 16.168 240 HB2 ASN 30 HB2 ASN 30 -7.257 1.443 15.486 241 HB3 ASN 30 HB3 ASN 30 -8.249 0.431 16.538 242 HD21 ASN 30 HD21 ASN 30 -8.568 -0.091 12.577 243 HD22 ASN 30 HD22 ASN 30 -7.336 0.963 13.244 244 H ASP 31 H ASP 31 -7.027 3.691 16.715 245 HA ASP 31 HA ASP 31 -7.759 4.343 19.516 246 HB2 ASP 31 HB2 ASP 31 -5.314 2.743 18.693 247 HB3 ASP 31 HB3 ASP 31 -5.468 3.561 20.243 248 H CYS 32 H CYS 32 -7.994 6.284 17.920 249 HA CYS 32 HA CYS 32 -5.787 7.713 16.951 250 HB2 CYS 32 HB2 CYS 32 -7.381 9.685 17.067 251 HB3 CYS 32 HB3 CYS 32 -8.047 8.262 16.265 252 HG CYS 32 HG CYS 32 -8.470 9.216 19.420 253 H ASN 33 H ASN 33 -6.785 7.424 20.282 254 HA ASN 33 HA ASN 33 -5.605 9.769 21.391 255 HB2 ASN 33 HB2 ASN 33 -7.210 8.197 22.526 256 HB3 ASN 33 HB3 ASN 33 -5.924 6.992 22.607 257 HD21 ASN 33 HD21 ASN 33 -5.020 8.310 25.752 258 HD22 ASN 33 HD22 ASN 33 -5.356 6.890 24.773 259 H SER 34 H SER 34 -4.174 6.888 20.080 260 HA SER 34 HA SER 34 -1.451 7.737 20.966 261 HB2 SER 34 HB2 SER 34 -0.694 5.562 20.329 262 HB3 SER 34 HB3 SER 34 -2.072 5.431 21.461 263 HG SER 34 HG SER 34 -3.397 5.085 19.510 264 H ALA 35 H ALA 35 -3.468 7.400 18.044 265 HA ALA 35 HA ALA 35 -1.495 7.851 16.062 266 HB1 ALA 35 HB1 ALA 35 -3.441 8.915 14.828 267 HB2 ALA 35 HB2 ALA 35 -3.870 7.354 15.525 268 HB3 ALA 35 HB3 ALA 35 -4.340 8.925 16.287 269 H LEU 36 H LEU 36 -3.082 10.261 18.223 270 HA LEU 36 HA LEU 36 -1.767 12.495 17.030 271 HB2 LEU 36 HB2 LEU 36 -2.645 13.761 18.871 272 HB3 LEU 36 HB3 LEU 36 -3.812 12.533 18.452 273 HG LEU 36 HG LEU 36 -2.551 11.179 20.423 274 HD11 LEU 36 HD11 LEU 36 -2.257 14.114 21.226 275 HD12 LEU 36 HD12 LEU 36 -1.938 12.702 22.257 276 HD13 LEU 36 HD13 LEU 36 -0.901 13.037 20.870 277 HD21 LEU 36 HD21 LEU 36 -4.266 12.015 21.967 278 HD22 LEU 36 HD22 LEU 36 -4.553 13.417 20.907 279 HD23 LEU 36 HD23 LEU 36 -4.948 11.773 20.351 280 H ASP 37 H ASP 37 -0.683 10.220 19.415 281 HA ASP 37 HA ASP 37 1.893 11.561 19.943 282 HB2 ASP 37 HB2 ASP 37 0.794 8.842 20.724 283 HB3 ASP 37 HB3 ASP 37 2.406 9.398 21.140 284 H GLN 38 H GLN 38 0.797 10.283 17.202 285 HA GLN 38 HA GLN 38 3.518 9.487 16.384 286 HB2 GLN 38 HB2 GLN 38 0.835 8.724 15.276 287 HB3 GLN 38 HB3 GLN 38 2.364 8.296 14.492 288 HG2 GLN 38 HG2 GLN 38 1.565 7.480 17.312 289 HG3 GLN 38 HG3 GLN 38 1.271 6.495 15.889 290 HE21 GLN 38 HE21 GLN 38 5.075 6.720 17.432 291 HE22 GLN 38 HE22 GLN 38 3.861 7.899 17.946 292 H LEU 39 H LEU 39 0.607 11.084 14.780 293 HA LEU 39 HA LEU 39 2.339 12.400 12.915 294 HB2 LEU 39 HB2 LEU 39 -0.390 13.390 13.850 295 HB3 LEU 39 HB3 LEU 39 0.459 13.866 12.378 296 HG LEU 39 HG LEU 39 -0.788 11.203 13.030 297 HD11 LEU 39 HD11 LEU 39 -2.238 11.672 11.135 298 HD12 LEU 39 HD12 LEU 39 -2.294 13.036 12.258 299 HD13 LEU 39 HD13 LEU 39 -1.340 13.162 10.768 300 HD21 LEU 39 HD21 LEU 39 0.882 12.013 10.591 301 HD22 LEU 39 HD22 LEU 39 1.250 10.712 11.743 302 HD23 LEU 39 HD23 LEU 39 -0.132 10.560 10.659 303 H LEU 40 H LEU 40 1.211 13.636 16.152 304 HA LEU 40 HA LEU 40 2.483 16.219 15.488 305 HB2 LEU 40 HB2 LEU 40 1.253 15.570 18.146 306 HB3 LEU 40 HB3 LEU 40 1.701 17.119 17.478 307 HG LEU 40 HG LEU 40 -0.530 17.324 17.162 308 HD11 LEU 40 HD11 LEU 40 0.340 17.342 14.829 309 HD12 LEU 40 HD12 LEU 40 -0.119 15.644 14.672 310 HD13 LEU 40 HD13 LEU 40 -1.360 16.849 14.971 311 HD21 LEU 40 HD21 LEU 40 -0.908 15.087 18.223 312 HD22 LEU 40 HD22 LEU 40 -2.126 15.722 17.139 313 HD23 LEU 40 HD23 LEU 40 -1.009 14.446 16.561 314 H VAL 41 H VAL 41 3.665 13.291 16.580 315 HA VAL 41 HA VAL 41 5.908 14.368 18.109 316 HB VAL 41 HB VAL 41 5.274 11.656 16.948 317 HG11 VAL 41 HG11 VAL 41 7.704 11.834 16.746 318 HG12 VAL 41 HG12 VAL 41 7.833 12.483 18.394 319 HG13 VAL 41 HG13 VAL 41 7.313 10.799 18.118 320 HG21 VAL 41 HG21 VAL 41 5.322 11.051 19.390 321 HG22 VAL 41 HG22 VAL 41 5.672 12.739 19.789 322 HG23 VAL 41 HG23 VAL 41 4.121 12.303 19.043 323 H LEU 42 H LEU 42 5.157 13.581 14.730 324 HA LEU 42 HA LEU 42 7.730 14.198 13.645 325 HB2 LEU 42 HB2 LEU 42 4.991 14.736 12.484 326 HB3 LEU 42 HB3 LEU 42 6.489 14.884 11.602 327 HG LEU 42 HG LEU 42 5.399 12.268 12.753 328 HD11 LEU 42 HD11 LEU 42 5.516 13.383 9.903 329 HD12 LEU 42 HD12 LEU 42 5.242 11.666 10.252 330 HD13 LEU 42 HD13 LEU 42 4.095 12.859 10.845 331 HD21 LEU 42 HD21 LEU 42 7.255 11.289 11.326 332 HD22 LEU 42 HD22 LEU 42 7.882 12.950 11.121 333 HD23 LEU 42 HD23 LEU 42 7.819 12.189 12.732 334 H GLU 43 H GLU 43 4.942 16.389 14.282 335 HA GLU 43 HA GLU 43 6.155 18.863 13.578 336 HB2 GLU 43 HB2 GLU 43 3.825 18.692 14.233 337 HB3 GLU 43 HB3 GLU 43 4.241 18.142 15.826 338 HG2 GLU 43 HG2 GLU 43 5.478 20.732 15.230 339 HG3 GLU 43 HG3 GLU 43 3.778 20.795 14.969 340 H LYS 44 H LYS 44 6.409 17.071 16.611 341 HA LYS 44 HA LYS 44 8.062 18.959 18.011 342 HB2 LYS 44 HB2 LYS 44 6.685 17.146 19.030 343 HB3 LYS 44 HB3 LYS 44 7.803 15.945 18.392 344 HG2 LYS 44 HG2 LYS 44 9.651 16.926 19.714 345 HG3 LYS 44 HG3 LYS 44 8.568 18.172 20.344 346 HD2 LYS 44 HD2 LYS 44 8.242 15.168 20.800 347 HD3 LYS 44 HD3 LYS 44 9.011 16.294 21.931 348 HE2 LYS 44 HE2 LYS 44 6.877 17.593 22.068 349 HE3 LYS 44 HE3 LYS 44 6.100 16.412 21.010 350 HZ1 LYS 44 HZ1 LYS 44 5.675 15.920 23.342 351 HZ2 LYS 44 HZ2 LYS 44 6.555 14.709 22.704 352 HZ3 LYS 44 HZ3 LYS 44 7.257 15.813 23.679 353 H LYS 45 H LYS 45 8.964 15.925 16.357 354 HA LYS 45 HA LYS 45 11.794 16.228 16.670 355 HB2 LYS 45 HB2 LYS 45 10.609 14.104 16.142 356 HB3 LYS 45 HB3 LYS 45 10.255 14.707 14.517 357 HG2 LYS 45 HG2 LYS 45 12.660 14.799 13.986 358 HG3 LYS 45 HG3 LYS 45 13.071 14.447 15.667 359 HD2 LYS 45 HD2 LYS 45 13.417 12.466 14.360 360 HD3 LYS 45 HD3 LYS 45 12.065 12.196 15.464 361 HE2 LYS 45 HE2 LYS 45 10.458 12.595 13.601 362 HE3 LYS 45 HE3 LYS 45 11.815 12.932 12.507 363 HZ1 LYS 45 HZ1 LYS 45 11.325 10.328 13.853 364 HZ2 LYS 45 HZ2 LYS 45 11.059 10.644 12.276 365 HZ3 LYS 45 HZ3 LYS 45 12.576 10.654 12.859 366 H THR 46 H THR 46 9.663 17.219 13.988 367 HA THR 46 HA THR 46 11.705 18.232 12.252 368 HB THR 46 HB THR 46 9.889 19.510 11.178 369 HG1 THR 46 HG1 THR 46 8.244 18.153 12.995 370 HG21 THR 46 HG21 THR 46 8.478 17.458 10.654 371 HG22 THR 46 HG22 THR 46 10.241 17.375 10.316 372 HG23 THR 46 HG23 THR 46 9.570 16.547 11.723 373 H ARG 47 H ARG 47 9.761 19.978 14.763 374 HA ARG 47 HA ARG 47 11.141 22.464 14.279 375 HB2 ARG 47 HB2 ARG 47 9.082 22.516 15.627 376 HB3 ARG 47 HB3 ARG 47 9.800 21.454 16.842 377 HG2 ARG 47 HG2 ARG 47 9.819 23.751 17.645 378 HG3 ARG 47 HG3 ARG 47 11.462 23.220 17.404 379 HD2 ARG 47 HD2 ARG 47 11.402 24.383 15.100 380 HD3 ARG 47 HD3 ARG 47 9.816 25.004 15.554 381 HE ARG 47 HE ARG 47 10.816 26.521 16.984 382 HH11 ARG 47 HH11 ARG 47 13.366 24.198 16.060 383 HH12 ARG 47 HH12 ARG 47 14.601 25.251 16.694 384 HH21 ARG 47 HH21 ARG 47 12.559 27.750 17.700 385 HH22 ARG 47 HH22 ARG 47 14.170 27.090 17.618 386 H GLN 48 H GLN 48 11.911 19.776 16.520 387 HA GLN 48 HA GLN 48 14.125 21.166 17.696 388 HB2 GLN 48 HB2 GLN 48 13.304 18.242 17.722 389 HB3 GLN 48 HB3 GLN 48 14.661 18.865 18.657 390 HG2 GLN 48 HG2 GLN 48 11.796 19.883 18.912 391 HG3 GLN 48 HG3 GLN 48 12.525 18.678 19.961 392 HE21 GLN 48 HE21 GLN 48 12.757 22.031 21.625 393 HE22 GLN 48 HE22 GLN 48 11.424 21.068 21.000 394 H ALA 49 H ALA 49 13.988 18.792 15.049 395 HA ALA 49 HA ALA 49 16.827 18.590 14.659 396 HB1 ALA 49 HB1 ALA 49 14.412 17.887 12.919 397 HB2 ALA 49 HB2 ALA 49 16.074 17.301 12.667 398 HB3 ALA 49 HB3 ALA 49 15.174 16.820 14.120 399 H SER 50 H SER 50 14.642 21.069 13.860 400 HA SER 50 HA SER 50 14.482 22.746 12.457 401 HB2 SER 50 HB2 SER 50 16.331 23.941 11.607 402 HB3 SER 50 HB3 SER 50 16.813 23.260 13.167 403 HG SER 50 HG SER 50 17.691 21.468 11.849 404 H ASP 51 H ASP 51 14.058 20.030 11.595 405 HA ASP 51 HA ASP 51 14.026 20.159 8.624 406 HB2 ASP 51 HB2 ASP 51 13.017 18.057 10.569 407 HB3 ASP 51 HB3 ASP 51 12.897 17.946 8.814 408 H LEU 52 H LEU 52 12.766 22.145 10.290 409 HA LEU 52 HA LEU 52 10.063 21.699 10.821 410 HB2 LEU 52 HB2 LEU 52 9.974 23.937 11.438 411 HB3 LEU 52 HB3 LEU 52 11.538 23.238 11.894 412 HG LEU 52 HG LEU 52 12.314 24.380 9.586 413 HD11 LEU 52 HD11 LEU 52 10.009 26.135 10.545 414 HD12 LEU 52 HD12 LEU 52 11.194 26.561 9.288 415 HD13 LEU 52 HD13 LEU 52 10.049 25.232 9.027 416 HD21 LEU 52 HD21 LEU 52 11.887 25.857 12.211 417 HD22 LEU 52 HD22 LEU 52 13.268 24.817 11.791 418 HD23 LEU 52 HD23 LEU 52 13.015 26.336 10.916 419 H ALA 53 H ALA 53 11.411 22.480 7.872 420 HA ALA 53 HA ALA 53 9.218 23.564 6.395 421 HB1 ALA 53 HB1 ALA 53 10.234 22.427 4.447 422 HB2 ALA 53 HB2 ALA 53 11.494 23.165 5.457 423 HB3 ALA 53 HB3 ALA 53 11.203 21.408 5.534 424 H SER 54 H SER 54 9.621 20.401 7.825 425 HA SER 54 HA SER 54 7.116 19.271 6.691 426 HB2 SER 54 HB2 SER 54 9.065 17.844 7.102 427 HB3 SER 54 HB3 SER 54 9.047 18.274 8.788 428 HG SER 54 HG SER 54 8.027 16.256 8.250 429 H SER 55 H SER 55 8.335 20.365 9.897 430 HA SER 55 HA SER 55 6.097 20.242 11.489 431 HB2 SER 55 HB2 SER 55 8.457 21.300 11.952 432 HB3 SER 55 HB3 SER 55 7.657 22.809 11.515 433 HG SER 55 HG SER 55 7.239 21.064 13.667 434 H LYS 56 H LYS 56 6.821 22.747 9.138 435 HA LYS 56 HA LYS 56 4.728 24.596 9.421 436 HB2 LYS 56 HB2 LYS 56 6.813 24.711 8.000 437 HB3 LYS 56 HB3 LYS 56 6.001 23.658 6.826 438 HG2 LYS 56 HG2 LYS 56 4.200 25.400 6.591 439 HG3 LYS 56 HG3 LYS 56 5.112 26.458 7.670 440 HD2 LYS 56 HD2 LYS 56 6.094 25.329 5.007 441 HD3 LYS 56 HD3 LYS 56 5.413 26.933 5.204 442 HE2 LYS 56 HE2 LYS 56 7.942 25.984 6.637 443 HE3 LYS 56 HE3 LYS 56 7.939 26.786 5.066 444 HZ1 LYS 56 HZ1 LYS 56 6.902 28.016 7.560 445 HZ2 LYS 56 HZ2 LYS 56 8.308 28.379 6.828 446 HZ3 LYS 56 HZ3 LYS 56 6.906 28.716 6.086 447 H GLU 57 H GLU 57 4.604 21.471 7.754 448 HA GLU 57 HA GLU 57 1.920 21.977 6.639 449 HB2 GLU 57 HB2 GLU 57 3.740 19.551 6.600 450 HB3 GLU 57 HB3 GLU 57 2.145 19.592 5.854 451 HG2 GLU 57 HG2 GLU 57 4.470 21.434 5.169 452 HG3 GLU 57 HG3 GLU 57 3.994 20.011 4.246 453 H VAL 58 H VAL 58 3.371 20.186 9.360 454 HA VAL 58 HA VAL 58 0.804 18.946 10.031 455 HB VAL 58 HB VAL 58 2.701 17.638 10.271 456 HG11 VAL 58 HG11 VAL 58 4.468 19.167 10.629 457 HG12 VAL 58 HG12 VAL 58 3.821 19.671 12.202 458 HG13 VAL 58 HG13 VAL 58 4.473 18.019 11.952 459 HG21 VAL 58 HG21 VAL 58 0.878 17.285 11.939 460 HG22 VAL 58 HG22 VAL 58 2.475 16.709 12.444 461 HG23 VAL 58 HG23 VAL 58 1.845 18.224 13.096 462 H LEU 59 H LEU 59 2.522 21.770 11.258 463 HA LEU 59 HA LEU 59 0.986 22.416 13.525 464 HB2 LEU 59 HB2 LEU 59 2.121 24.037 11.215 465 HB3 LEU 59 HB3 LEU 59 1.302 24.834 12.545 466 HG LEU 59 HG LEU 59 3.688 22.997 13.018 467 HD11 LEU 59 HD11 LEU 59 4.307 24.849 11.526 468 HD12 LEU 59 HD12 LEU 59 3.600 26.023 12.662 469 HD13 LEU 59 HD13 LEU 59 5.027 25.053 13.130 470 HD21 LEU 59 HD21 LEU 59 3.816 24.387 15.102 471 HD22 LEU 59 HD22 LEU 59 2.265 25.110 14.672 472 HD23 LEU 59 HD23 LEU 59 2.383 23.354 14.990 473 H ALA 60 H ALA 60 0.089 22.941 10.158 474 HA ALA 60 HA ALA 60 -2.452 24.073 10.757 475 HB1 ALA 60 HB1 ALA 60 -2.766 23.888 8.274 476 HB2 ALA 60 HB2 ALA 60 -1.161 24.528 8.687 477 HB3 ALA 60 HB3 ALA 60 -1.347 22.829 8.195 478 H LYS 61 H LYS 61 -1.647 20.866 11.122 479 HA LYS 61 HA LYS 61 -4.504 20.193 11.329 480 HB2 LYS 61 HB2 LYS 61 -4.384 18.929 9.599 481 HB3 LYS 61 HB3 LYS 61 -2.647 19.000 9.497 482 HG2 LYS 61 HG2 LYS 61 -3.937 17.065 11.440 483 HG3 LYS 61 HG3 LYS 61 -3.941 16.712 9.740 484 HD2 LYS 61 HD2 LYS 61 -1.432 17.313 11.354 485 HD3 LYS 61 HD3 LYS 61 -2.028 15.689 11.009 486 HE2 LYS 61 HE2 LYS 61 -1.109 17.741 8.927 487 HE3 LYS 61 HE3 LYS 61 -0.197 16.329 9.466 488 HZ1 LYS 61 HZ1 LYS 61 -2.780 16.236 7.986 489 HZ2 LYS 61 HZ2 LYS 61 -1.322 15.910 7.365 490 HZ3 LYS 61 HZ3 LYS 61 -1.950 14.917 8.486 491 H ILE 62 H ILE 62 -1.713 20.593 12.965 492 HA ILE 62 HA ILE 62 -1.890 18.920 15.143 493 HB ILE 62 HB ILE 62 -0.700 21.314 14.424 494 HG12 ILE 62 HG12 ILE 62 0.283 21.048 16.943 495 HG13 ILE 62 HG13 ILE 62 -0.431 19.453 16.687 496 HG21 ILE 62 HG21 ILE 62 -2.458 22.701 15.301 497 HG22 ILE 62 HG22 ILE 62 -2.212 21.997 16.936 498 HG23 ILE 62 HG23 ILE 62 -0.932 22.901 16.123 499 HD11 ILE 62 HD11 ILE 62 1.764 19.290 15.797 500 HD12 ILE 62 HD12 ILE 62 0.708 19.521 14.377 501 HD13 ILE 62 HD13 ILE 62 1.635 20.887 15.016 502 H VAL 63 H VAL 63 -4.161 21.471 14.225 503 HA VAL 63 HA VAL 63 -5.657 21.310 16.737 504 HB VAL 63 HB VAL 63 -5.441 23.324 15.266 505 HG11 VAL 63 HG11 VAL 63 -7.778 22.116 13.753 506 HG12 VAL 63 HG12 VAL 63 -7.104 23.756 13.585 507 HG13 VAL 63 HG13 VAL 63 -6.140 22.345 13.100 508 HG21 VAL 63 HG21 VAL 63 -8.107 22.414 16.359 509 HG22 VAL 63 HG22 VAL 63 -6.817 23.235 17.234 510 HG23 VAL 63 HG23 VAL 63 -7.712 24.087 15.956 511 H ASP 64 H ASP 64 -5.604 19.428 13.893 512 HA ASP 64 HA ASP 64 -8.313 18.444 14.163 513 HB2 ASP 64 HB2 ASP 64 -6.129 17.584 12.229 514 HB3 ASP 64 HB3 ASP 64 -7.789 17.021 12.207 515 H LEU 65 H LEU 65 -5.205 17.563 15.386 516 HA LEU 65 HA LEU 65 -6.358 14.966 16.371 517 HB2 LEU 65 HB2 LEU 65 -3.559 15.568 15.462 518 HB3 LEU 65 HB3 LEU 65 -3.891 14.354 16.704 519 HG LEU 65 HG LEU 65 -5.563 13.312 14.994 520 HD11 LEU 65 HD11 LEU 65 -4.859 13.615 12.648 521 HD12 LEU 65 HD12 LEU 65 -5.494 15.117 13.326 522 HD13 LEU 65 HD13 LEU 65 -3.738 14.912 13.142 523 HD21 LEU 65 HD21 LEU 65 -3.716 11.996 14.019 524 HD22 LEU 65 HD22 LEU 65 -2.556 13.152 14.724 525 HD23 LEU 65 HD23 LEU 65 -3.616 12.182 15.768 526 H LEU 66 H LEU 66 -4.192 17.737 17.475 527 HA LEU 66 HA LEU 66 -4.298 16.769 20.193 528 HB2 LEU 66 HB2 LEU 66 -3.718 19.525 19.110 529 HB3 LEU 66 HB3 LEU 66 -3.465 19.057 20.783 530 HG LEU 66 HG LEU 66 -2.087 17.823 18.405 531 HD11 LEU 66 HD11 LEU 66 -1.512 20.159 18.561 532 HD12 LEU 66 HD12 LEU 66 -1.229 20.047 20.285 533 HD13 LEU 66 HD13 LEU 66 -0.133 19.215 19.158 534 HD21 LEU 66 HD21 LEU 66 -0.453 17.004 20.113 535 HD22 LEU 66 HD22 LEU 66 -1.517 17.637 21.388 536 HD23 LEU 66 HD23 LEU 66 -2.066 16.316 20.331 537 H ALA 67 H ALA 67 -5.724 19.852 19.011 538 HA ALA 67 HA ALA 67 -7.456 20.331 21.147 539 HB1 ALA 67 HB1 ALA 67 -8.719 21.701 19.360 540 HB2 ALA 67 HB2 ALA 67 -6.978 21.990 19.463 541 HB3 ALA 67 HB3 ALA 67 -7.614 20.969 18.172 542 H SER 68 H SER 68 -8.014 18.062 18.603 543 HA SER 68 HA SER 68 -10.887 17.803 19.000 544 HB2 SER 68 HB2 SER 68 -10.758 16.217 17.154 545 HB3 SER 68 HB3 SER 68 -9.811 17.668 16.764 546 HG SER 68 HG SER 68 -8.516 15.922 16.308 547 H ARG 69 H ARG 69 -8.045 16.170 20.212 548 HA ARG 69 HA ARG 69 -9.672 13.916 21.360 549 HB2 ARG 69 HB2 ARG 69 -6.706 14.011 20.758 550 HB3 ARG 69 HB3 ARG 69 -7.576 12.617 21.375 551 HG2 ARG 69 HG2 ARG 69 -7.981 13.820 18.597 552 HG3 ARG 69 HG3 ARG 69 -6.961 12.455 18.990 553 HD2 ARG 69 HD2 ARG 69 -8.940 11.548 18.116 554 HD3 ARG 69 HD3 ARG 69 -8.971 11.229 19.860 555 HE ARG 69 HE ARG 69 -10.363 13.670 19.356 556 HH11 ARG 69 HH11 ARG 69 -10.922 10.263 18.634 557 HH12 ARG 69 HH12 ARG 69 -12.652 10.499 18.667 558 HH21 ARG 69 HH21 ARG 69 -12.497 13.846 19.405 559 HH22 ARG 69 HH22 ARG 69 -13.517 12.464 19.069 560 H ASN 70 H ASN 70 -9.474 16.534 22.473 561 HA ASN 70 HA ASN 70 -9.124 17.657 24.342 562 HB2 ASN 70 HB2 ASN 70 -9.204 14.936 25.670 563 HB3 ASN 70 HB3 ASN 70 -9.434 16.479 26.485 564 HD21 ASN 70 HD21 ASN 70 -12.710 14.851 25.180 565 HD22 ASN 70 HD22 ASN 70 -11.263 14.017 25.731 566 H LYS 71 H LYS 71 -6.646 16.984 22.917 567 HA LYS 71 HA LYS 71 -4.778 17.671 25.100 568 HB2 LYS 71 HB2 LYS 71 -4.061 16.727 22.313 569 HB3 LYS 71 HB3 LYS 71 -2.922 17.115 23.595 570 HG2 LYS 71 HG2 LYS 71 -4.902 14.812 23.576 571 HG3 LYS 71 HG3 LYS 71 -3.157 14.733 23.320 572 HD2 LYS 71 HD2 LYS 71 -2.756 15.506 25.637 573 HD3 LYS 71 HD3 LYS 71 -4.512 15.561 25.920 574 HE2 LYS 71 HE2 LYS 71 -4.698 13.146 25.418 575 HE3 LYS 71 HE3 LYS 71 -2.957 13.065 25.113 576 HZ1 LYS 71 HZ1 LYS 71 -2.585 13.695 27.436 577 HZ2 LYS 71 HZ2 LYS 71 -4.191 13.764 27.721 578 HZ3 LYS 71 HZ3 LYS 71 -3.484 12.344 27.361 579 H TRP 72 H TRP 72 -6.786 19.375 23.965 580 HA TRP 72 HA TRP 72 -5.881 21.444 22.354 581 HB2 TRP 72 HB2 TRP 72 -7.418 22.737 24.239 582 HB3 TRP 72 HB3 TRP 72 -7.988 21.878 22.826 583 HD1 TRP 72 HD1 TRP 72 -10.011 20.639 23.251 584 HE1 TRP 72 HE1 TRP 72 -11.126 19.377 25.179 585 HE3 TRP 72 HE3 TRP 72 -6.311 21.045 26.803 586 HZ2 TRP 72 HZ2 TRP 72 -10.519 18.624 27.872 587 HZ3 TRP 72 HZ3 TRP 72 -6.581 19.950 29.002 588 HH2 TRP 72 HH2 TRP 72 -8.685 18.761 29.566 589 H ASP 73 H ASP 73 -4.693 20.748 25.561 590 HA ASP 73 HA ASP 73 -3.650 23.329 26.216 591 HB2 ASP 73 HB2 ASP 73 -3.994 21.311 27.706 592 HB3 ASP 73 HB3 ASP 73 -2.618 20.550 26.910 593 H ASP 74 H ASP 74 -2.485 20.767 24.027 594 HA ASP 74 HA ASP 74 0.143 21.984 23.738 595 HB2 ASP 74 HB2 ASP 74 -1.216 19.640 22.420 596 HB3 ASP 74 HB3 ASP 74 0.433 20.148 22.035 597 H LEU 75 H LEU 75 -2.872 22.802 22.297 598 HA LEU 75 HA LEU 75 -1.926 23.678 19.719 599 HB2 LEU 75 HB2 LEU 75 -4.342 23.996 21.387 600 HB3 LEU 75 HB3 LEU 75 -3.967 25.363 20.335 601 HG LEU 75 HG LEU 75 -5.531 23.587 19.459 602 HD11 LEU 75 HD11 LEU 75 -4.743 25.140 17.946 603 HD12 LEU 75 HD12 LEU 75 -3.094 24.469 17.950 604 HD13 LEU 75 HD13 LEU 75 -4.411 23.584 17.166 605 HD21 LEU 75 HD21 LEU 75 -4.667 21.563 18.520 606 HD22 LEU 75 HD22 LEU 75 -3.031 21.938 19.066 607 HD23 LEU 75 HD23 LEU 75 -4.302 21.618 20.256 608 H ASN 76 H ASN 76 -1.997 25.246 22.865 609 HA ASN 76 HA ASN 76 -0.790 27.726 22.270 610 HB2 ASN 76 HB2 ASN 76 -1.558 27.343 24.460 611 HB3 ASN 76 HB3 ASN 76 -0.810 25.771 24.553 612 HD21 ASN 76 HD21 ASN 76 1.362 27.370 26.840 613 HD22 ASN 76 HD22 ASN 76 -0.181 26.529 26.732 614 H GLU 77 H GLU 77 0.803 24.534 22.531 615 HA GLU 77 HA GLU 77 3.449 25.588 22.250 616 HB2 GLU 77 HB2 GLU 77 2.743 23.267 23.168 617 HB3 GLU 77 HB3 GLU 77 2.678 22.775 21.482 618 HG2 GLU 77 HG2 GLU 77 4.825 22.156 22.290 619 HG3 GLU 77 HG3 GLU 77 5.073 23.510 21.203 620 H GLN 78 H GLN 78 1.012 24.489 19.881 621 HA GLN 78 HA GLN 78 2.664 24.688 17.563 622 HB2 GLN 78 HB2 GLN 78 0.862 23.971 16.551 623 HB3 GLN 78 HB3 GLN 78 0.039 23.950 18.090 624 HG2 GLN 78 HG2 GLN 78 -1.467 24.968 16.675 625 HG3 GLN 78 HG3 GLN 78 -0.800 26.308 17.542 626 HE21 GLN 78 HE21 GLN 78 -0.455 26.117 13.509 627 HE22 GLN 78 HE22 GLN 78 -1.046 24.687 14.329 628 H LEU 79 H LEU 79 0.680 27.145 19.186 629 HA LEU 79 HA LEU 79 1.235 29.365 17.473 630 HB2 LEU 79 HB2 LEU 79 0.211 28.849 20.254 631 HB3 LEU 79 HB3 LEU 79 0.838 30.455 19.972 632 HG LEU 79 HG LEU 79 -0.752 30.900 18.229 633 HD11 LEU 79 HD11 LEU 79 -2.556 29.251 17.627 634 HD12 LEU 79 HD12 LEU 79 -0.963 28.715 17.159 635 HD13 LEU 79 HD13 LEU 79 -1.718 28.043 18.618 636 HD21 LEU 79 HD21 LEU 79 -1.382 31.266 20.590 637 HD22 LEU 79 HD22 LEU 79 -2.799 30.775 19.659 638 HD23 LEU 79 HD23 LEU 79 -1.980 29.602 20.711 639 H THR 80 H THR 80 3.062 27.873 20.038 640 HA THR 80 HA THR 80 4.969 30.059 20.414 641 HB THR 80 HB THR 80 4.609 27.240 21.470 642 HG1 THR 80 HG1 THR 80 3.114 28.481 22.308 643 HG21 THR 80 HG21 THR 80 6.256 28.035 23.235 644 HG22 THR 80 HG22 THR 80 6.888 27.587 21.628 645 HG23 THR 80 HG23 THR 80 6.689 29.325 22.061 646 H LEU 81 H LEU 81 4.861 26.940 18.692 647 HA LEU 81 HA LEU 81 7.359 26.050 18.678 648 HB2 LEU 81 HB2 LEU 81 5.027 25.526 17.258 649 HB3 LEU 81 HB3 LEU 81 6.198 25.852 15.978 650 HG LEU 81 HG LEU 81 7.753 24.234 17.157 651 HD11 LEU 81 HD11 LEU 81 5.230 23.458 18.676 652 HD12 LEU 81 HD12 LEU 81 6.811 22.658 18.779 653 HD13 LEU 81 HD13 LEU 81 6.581 24.300 19.431 654 HD21 LEU 81 HD21 LEU 81 6.694 22.265 16.279 655 HD22 LEU 81 HD22 LEU 81 5.092 23.029 16.315 656 HD23 LEU 81 HD23 LEU 81 6.341 23.615 15.195 657 H LEU 82 H LEU 82 6.556 28.214 15.951 658 HA LEU 82 HA LEU 82 9.468 28.508 15.489 659 HB2 LEU 82 HB2 LEU 82 7.282 30.044 14.043 660 HB3 LEU 82 HB3 LEU 82 8.931 29.751 13.526 661 HG LEU 82 HG LEU 82 6.738 27.639 13.724 662 HD11 LEU 82 HD11 LEU 82 6.875 27.599 11.292 663 HD12 LEU 82 HD12 LEU 82 6.466 29.222 11.863 664 HD13 LEU 82 HD13 LEU 82 8.122 28.871 11.316 665 HD21 LEU 82 HD21 LEU 82 9.608 27.392 12.728 666 HD22 LEU 82 HD22 LEU 82 8.937 26.613 14.178 667 HD23 LEU 82 HD23 LEU 82 8.347 26.146 12.579 668 H SER 83 H SER 83 6.984 30.181 17.193 669 HA SER 83 HA SER 83 8.118 32.790 17.478 670 HB2 SER 83 HB2 SER 83 5.759 31.881 18.109 671 HB3 SER 83 HB3 SER 83 6.522 31.375 19.616 672 HG SER 83 HG SER 83 7.130 33.486 20.004 673 H LYS 84 H LYS 84 8.990 29.715 18.927 674 HA LYS 84 HA LYS 84 10.569 30.431 21.135 675 HB2 LYS 84 HB2 LYS 84 11.091 28.391 18.937 676 HB3 LYS 84 HB3 LYS 84 12.004 28.458 20.451 677 HG2 LYS 84 HG2 LYS 84 9.924 28.051 21.743 678 HG3 LYS 84 HG3 LYS 84 9.015 27.953 20.226 679 HD2 LYS 84 HD2 LYS 84 10.486 26.064 19.488 680 HD3 LYS 84 HD3 LYS 84 11.253 26.066 21.079 681 HE2 LYS 84 HE2 LYS 84 8.250 25.706 20.599 682 HE3 LYS 84 HE3 LYS 84 9.384 24.359 20.690 683 HZ1 LYS 84 HZ1 LYS 84 9.893 24.918 22.955 684 HZ2 LYS 84 HZ2 LYS 84 9.001 26.280 22.933 685 HZ3 LYS 84 HZ3 LYS 84 8.268 24.824 22.827 686 H LYS 85 H LYS 85 11.312 31.049 17.754 687 HA LYS 85 HA LYS 85 13.641 32.699 18.659 688 HB2 LYS 85 HB2 LYS 85 14.940 32.158 16.741 689 HB3 LYS 85 HB3 LYS 85 14.505 30.668 17.576 690 HG2 LYS 85 HG2 LYS 85 12.669 30.308 15.874 691 HG3 LYS 85 HG3 LYS 85 13.241 31.740 15.007 692 HD2 LYS 85 HD2 LYS 85 14.878 29.224 15.548 693 HD3 LYS 85 HD3 LYS 85 14.058 29.609 14.030 694 HE2 LYS 85 HE2 LYS 85 15.455 31.670 13.798 695 HE3 LYS 85 HE3 LYS 85 16.296 31.261 15.301 696 HZ1 LYS 85 HZ1 LYS 85 17.535 30.527 13.364 697 HZ2 LYS 85 HZ2 LYS 85 17.086 29.227 14.230 698 HZ3 LYS 85 HZ3 LYS 85 16.305 29.594 12.847 699 H HIS 86 H HIS 86 10.909 32.454 16.471 700 HA HIS 86 HA HIS 86 11.387 35.134 15.341 701 HB2 HIS 86 HB2 HIS 86 9.178 33.094 14.912 702 HB3 HIS 86 HB3 HIS 86 9.264 34.649 14.097 703 HD2 HIS 86 HD2 HIS 86 10.652 31.144 13.853 704 HE1 HIS 86 HE1 HIS 86 12.755 33.421 10.927 705 HE2 HIS 86 HE2 HIS 86 12.251 31.072 11.761 706 H GLY 87 H GLY 87 10.315 34.443 18.362 707 HA2 GLY 87 HA2 GLY 87 7.778 35.540 18.632 708 HA3 GLY 87 HA3 GLY 87 9.000 35.480 19.906 709 H GLN 88 H GLN 88 10.737 37.406 18.217 710 HA GLN 88 HA GLN 88 9.777 39.935 19.177 711 HB2 GLN 88 HB2 GLN 88 12.145 39.328 18.688 712 HB3 GLN 88 HB3 GLN 88 11.778 39.348 16.957 713 HG2 GLN 88 HG2 GLN 88 11.312 41.750 17.040 714 HG3 GLN 88 HG3 GLN 88 11.390 41.737 18.804 715 HE21 GLN 88 HE21 GLN 88 14.697 42.988 18.219 716 HE22 GLN 88 HE22 GLN 88 13.056 43.448 18.650 717 H LEU 89 H LEU 89 8.970 38.100 16.302 718 HA LEU 89 HA LEU 89 7.011 40.146 15.554 719 HB2 LEU 89 HB2 LEU 89 9.259 40.078 14.148 720 HB3 LEU 89 HB3 LEU 89 8.547 38.667 13.380 721 HG LEU 89 HG LEU 89 7.332 41.435 13.632 722 HD11 LEU 89 HD11 LEU 89 8.488 40.009 11.196 723 HD12 LEU 89 HD12 LEU 89 7.757 41.627 11.203 724 HD13 LEU 89 HD13 LEU 89 9.259 41.337 12.094 725 HD21 LEU 89 HD21 LEU 89 5.514 39.802 13.466 726 HD22 LEU 89 HD22 LEU 89 5.653 40.689 11.944 727 HD23 LEU 89 HD23 LEU 89 6.285 39.034 12.067 728 H LYS 90 H LYS 90 5.869 38.565 16.979 729 HA LYS 90 HA LYS 90 5.045 35.955 16.264 730 HB2 LYS 90 HB2 LYS 90 4.326 36.988 18.356 731 HB3 LYS 90 HB3 LYS 90 3.506 38.285 17.481 732 HG2 LYS 90 HG2 LYS 90 1.854 36.901 18.425 733 HG3 LYS 90 HG3 LYS 90 1.786 36.766 16.689 734 HD2 LYS 90 HD2 LYS 90 1.362 34.629 17.618 735 HD3 LYS 90 HD3 LYS 90 2.922 34.553 16.828 736 HE2 LYS 90 HE2 LYS 90 4.120 34.436 18.926 737 HE3 LYS 90 HE3 LYS 90 2.749 35.161 19.802 738 HZ1 LYS 90 HZ1 LYS 90 1.526 33.080 19.446 739 HZ2 LYS 90 HZ2 LYS 90 2.829 32.383 18.718 740 HZ3 LYS 90 HZ3 LYS 90 2.903 32.814 20.283 741 H LEU 91 H LEU 91 4.045 38.981 14.667 742 HA LEU 91 HA LEU 91 1.855 38.067 13.271 743 HB2 LEU 91 HB2 LEU 91 3.345 40.388 13.248 744 HB3 LEU 91 HB3 LEU 91 3.414 39.821 11.579 745 HG LEU 91 HG LEU 91 0.895 40.321 13.233 746 HD11 LEU 91 HD11 LEU 91 2.102 42.386 12.576 747 HD12 LEU 91 HD12 LEU 91 2.075 41.869 10.877 748 HD13 LEU 91 HD13 LEU 91 0.559 42.244 11.732 749 HD21 LEU 91 HD21 LEU 91 -0.328 40.118 11.073 750 HD22 LEU 91 HD22 LEU 91 1.172 39.575 10.285 751 HD23 LEU 91 HD23 LEU 91 0.414 38.593 11.552 752 H SER 92 H SER 92 5.003 36.921 12.820 753 HA SER 92 HA SER 92 4.705 35.891 10.074 754 HB2 SER 92 HB2 SER 92 6.909 36.538 11.000 755 HB3 SER 92 HB3 SER 92 6.740 35.316 12.274 756 HG SER 92 HG SER 92 7.993 34.639 10.430 757 H ILE 93 H ILE 93 4.549 34.472 13.383 758 HA ILE 93 HA ILE 93 3.525 31.918 12.238 759 HB ILE 93 HB ILE 93 5.373 32.039 13.964 760 HG12 ILE 93 HG12 ILE 93 2.914 30.233 14.172 761 HG13 ILE 93 HG13 ILE 93 4.371 29.994 13.210 762 HG21 ILE 93 HG21 ILE 93 4.735 32.086 16.280 763 HG22 ILE 93 HG22 ILE 93 4.330 33.606 15.491 764 HG23 ILE 93 HG23 ILE 93 3.038 32.402 15.857 765 HD11 ILE 93 HD11 ILE 93 4.001 29.774 16.190 766 HD12 ILE 93 HD12 ILE 93 4.620 28.565 15.045 767 HD13 ILE 93 HD13 ILE 93 5.607 29.995 15.479 768 H GLN 94 H GLN 94 2.327 34.851 13.480 769 HA GLN 94 HA GLN 94 -0.127 34.189 14.614 770 HB2 GLN 94 HB2 GLN 94 0.897 36.393 14.524 771 HB3 GLN 94 HB3 GLN 94 0.652 36.427 12.766 772 HG2 GLN 94 HG2 GLN 94 -0.865 37.881 13.725 773 HG3 GLN 94 HG3 GLN 94 -1.805 36.495 13.169 774 HE21 GLN 94 HE21 GLN 94 -3.112 37.374 16.536 775 HE22 GLN 94 HE22 GLN 94 -3.162 38.027 14.904 776 H TYR 95 H TYR 95 0.844 34.081 11.205 777 HA TYR 95 HA TYR 95 -1.673 33.738 9.943 778 HB2 TYR 95 HB2 TYR 95 1.165 32.862 9.347 779 HB3 TYR 95 HB3 TYR 95 -0.168 32.352 8.309 780 HD1 TYR 95 HD1 TYR 95 -1.566 34.049 7.097 781 HD2 TYR 95 HD2 TYR 95 2.011 35.128 9.254 782 HE1 TYR 95 HE1 TYR 95 -1.480 36.211 5.871 783 HE2 TYR 95 HE2 TYR 95 2.086 37.299 8.039 784 HH TYR 95 HH TYR 95 -0.364 38.168 5.579 785 H MET 96 H MET 96 0.212 31.421 11.884 786 HA MET 96 HA MET 96 -1.445 29.107 11.198 787 HB2 MET 96 HB2 MET 96 0.556 29.627 13.432 788 HB3 MET 96 HB3 MET 96 -0.245 28.101 13.096 789 HG2 MET 96 HG2 MET 96 1.915 27.898 12.224 790 HG3 MET 96 HG3 MET 96 0.788 27.952 10.877 791 HE1 MET 96 HE1 MET 96 3.052 28.102 9.412 792 HE2 MET 96 HE2 MET 96 4.259 29.396 9.613 793 HE3 MET 96 HE3 MET 96 4.031 28.190 10.894 794 H ILE 97 H ILE 97 -1.579 31.695 13.578 795 HA ILE 97 HA ILE 97 -2.964 30.358 15.615 796 HB ILE 97 HB ILE 97 -2.005 32.826 15.554 797 HG12 ILE 97 HG12 ILE 97 -4.463 32.190 17.249 798 HG13 ILE 97 HG13 ILE 97 -2.913 31.412 17.472 799 HG21 ILE 97 HG21 ILE 97 -3.673 34.576 15.460 800 HG22 ILE 97 HG22 ILE 97 -3.921 33.625 13.990 801 HG23 ILE 97 HG23 ILE 97 -5.003 33.409 15.359 802 HD11 ILE 97 HD11 ILE 97 -3.188 33.159 19.075 803 HD12 ILE 97 HD12 ILE 97 -1.821 33.537 17.977 804 HD13 ILE 97 HD13 ILE 97 -3.381 34.377 17.795 805 H GLN 98 H GLN 98 -4.206 31.271 12.592 806 HA GLN 98 HA GLN 98 -6.997 31.311 12.946 807 HB2 GLN 98 HB2 GLN 98 -5.356 29.968 10.757 808 HB3 GLN 98 HB3 GLN 98 -7.086 30.334 10.664 809 HG2 GLN 98 HG2 GLN 98 -6.588 32.763 10.909 810 HG3 GLN 98 HG3 GLN 98 -4.857 32.409 10.938 811 HE21 GLN 98 HE21 GLN 98 -4.659 31.773 7.413 812 HE22 GLN 98 HE22 GLN 98 -3.851 31.504 8.964 813 H LYS 99 H LYS 99 -4.786 28.509 13.189 814 HA LYS 99 HA LYS 99 -6.868 26.496 13.352 815 HB2 LYS 99 HB2 LYS 99 -3.953 26.496 14.314 816 HB3 LYS 99 HB3 LYS 99 -4.958 25.075 14.142 817 HG2 LYS 99 HG2 LYS 99 -4.093 26.898 11.847 818 HG3 LYS 99 HG3 LYS 99 -3.365 25.356 12.259 819 HD2 LYS 99 HD2 LYS 99 -5.282 24.122 11.598 820 HD3 LYS 99 HD3 LYS 99 -6.326 25.549 11.544 821 HE2 LYS 99 HE2 LYS 99 -5.231 26.451 9.616 822 HE3 LYS 99 HE3 LYS 99 -3.936 25.259 9.693 823 HZ1 LYS 99 HZ1 LYS 99 -6.788 24.598 9.155 824 HZ2 LYS 99 HZ2 LYS 99 -5.633 24.701 8.021 825 HZ3 LYS 99 HZ3 LYS 99 -5.544 23.529 9.158 826 H VAL 100 H VAL 100 -4.975 28.239 15.921 827 HA VAL 100 HA VAL 100 -6.513 27.122 18.029 828 HB VAL 100 HB VAL 100 -4.675 29.396 17.603 829 HG11 VAL 100 HG11 VAL 100 -5.034 30.559 19.724 830 HG12 VAL 100 HG12 VAL 100 -6.326 30.832 18.591 831 HG13 VAL 100 HG13 VAL 100 -6.580 29.695 19.934 832 HG21 VAL 100 HG21 VAL 100 -4.054 27.190 18.559 833 HG22 VAL 100 HG22 VAL 100 -3.759 28.476 19.750 834 HG23 VAL 100 HG23 VAL 100 -5.181 27.456 19.900 835 H MET 101 H MET 101 -7.049 30.112 16.194 836 HA MET 101 HA MET 101 -9.425 30.856 17.474 837 HB2 MET 101 HB2 MET 101 -8.472 31.414 14.641 838 HB3 MET 101 HB3 MET 101 -9.750 32.321 15.442 839 HG2 MET 101 HG2 MET 101 -6.946 32.177 16.602 840 HG3 MET 101 HG3 MET 101 -7.396 33.334 15.356 841 HE1 MET 101 HE1 MET 101 -6.493 35.260 16.839 842 HE2 MET 101 HE2 MET 101 -6.995 35.533 18.521 843 HE3 MET 101 HE3 MET 101 -6.062 34.082 18.096 844 H GLU 102 H GLU 102 -9.029 28.133 15.605 845 HA GLU 102 HA GLU 102 -11.820 28.113 14.675 846 HB2 GLU 102 HB2 GLU 102 -9.409 26.612 13.718 847 HB3 GLU 102 HB3 GLU 102 -11.013 25.955 13.436 848 HG2 GLU 102 HG2 GLU 102 -10.387 28.809 12.641 849 HG3 GLU 102 HG3 GLU 102 -9.949 27.441 11.616 850 H TYR 103 H TYR 103 -9.997 25.170 15.651 851 HA TYR 103 HA TYR 103 -12.622 24.390 16.741 852 HB2 TYR 103 HB2 TYR 103 -10.199 22.709 16.130 853 HB3 TYR 103 HB3 TYR 103 -11.750 22.093 16.657 854 HD1 TYR 103 HD1 TYR 103 -13.784 22.346 15.183 855 HD2 TYR 103 HD2 TYR 103 -9.816 23.333 13.810 856 HE1 TYR 103 HE1 TYR 103 -14.587 22.305 12.821 857 HE2 TYR 103 HE2 TYR 103 -10.616 23.287 11.457 858 HH TYR 103 HH TYR 103 -12.390 22.961 10.075 859 H LEU 104 H LEU 104 -9.391 24.964 17.808 860 HA LEU 104 HA LEU 104 -9.565 23.995 20.495 861 HB2 LEU 104 HB2 LEU 104 -7.529 24.425 19.265 862 HB3 LEU 104 HB3 LEU 104 -7.932 26.099 19.060 863 HG LEU 104 HG LEU 104 -6.075 25.623 20.645 864 HD11 LEU 104 HD11 LEU 104 -8.405 26.989 22.103 865 HD12 LEU 104 HD12 LEU 104 -6.680 27.272 22.255 866 HD13 LEU 104 HD13 LEU 104 -7.527 27.747 20.758 867 HD21 LEU 104 HD21 LEU 104 -6.585 24.853 22.902 868 HD22 LEU 104 HD22 LEU 104 -8.280 24.572 22.467 869 HD23 LEU 104 HD23 LEU 104 -6.984 23.620 21.686 870 H LYS 105 H LYS 105 -10.152 27.301 19.113 871 HA LYS 105 HA LYS 105 -11.347 28.382 21.491 872 HB2 LYS 105 HB2 LYS 105 -11.256 29.215 18.591 873 HB3 LYS 105 HB3 LYS 105 -12.337 30.005 19.740 874 HG2 LYS 105 HG2 LYS 105 -10.174 30.165 21.287 875 HG3 LYS 105 HG3 LYS 105 -9.306 29.980 19.756 876 HD2 LYS 105 HD2 LYS 105 -10.596 31.875 18.819 877 HD3 LYS 105 HD3 LYS 105 -11.492 31.985 20.357 878 HE2 LYS 105 HE2 LYS 105 -9.284 32.390 21.542 879 HE3 LYS 105 HE3 LYS 105 -8.495 32.468 19.954 880 HZ1 LYS 105 HZ1 LYS 105 -10.682 34.279 20.845 881 HZ2 LYS 105 HZ2 LYS 105 -9.105 34.676 20.827 882 HZ3 LYS 105 HZ3 LYS 105 -9.878 34.380 19.423 883 H SER 106 H SER 106 -12.907 27.238 18.530 884 HA SER 106 HA SER 106 -15.535 27.726 19.420 885 HB2 SER 106 HB2 SER 106 -14.777 25.799 17.208 886 HB3 SER 106 HB3 SER 106 -16.343 26.598 17.442 887 HG SER 106 HG SER 106 -13.864 27.653 16.688 888 H SER 107 H SER 107 -13.873 25.558 21.029 889 HA SER 107 HA SER 107 -15.595 23.294 21.311 890 HB2 SER 107 HB2 SER 107 -13.245 23.421 22.124 891 HB3 SER 107 HB3 SER 107 -13.735 24.660 23.290 892 HG SER 107 HG SER 107 -14.500 21.932 23.211 893 H LYS 108 H LYS 108 -15.842 26.581 22.473 894 HA LYS 108 HA LYS 108 -17.375 27.806 23.573 895 HB2 LYS 108 HB2 LYS 108 -19.296 25.506 23.124 896 HB3 LYS 108 HB3 LYS 108 -19.728 27.165 23.532 897 HG2 LYS 108 HG2 LYS 108 -18.832 27.983 21.396 898 HG3 LYS 108 HG3 LYS 108 -18.252 26.365 20.999 899 HD2 LYS 108 HD2 LYS 108 -20.694 25.568 21.160 900 HD3 LYS 108 HD3 LYS 108 -21.132 27.281 21.216 901 HE2 LYS 108 HE2 LYS 108 -21.321 26.627 18.937 902 HE3 LYS 108 HE3 LYS 108 -19.846 27.589 19.038 903 HZ1 LYS 108 HZ1 LYS 108 -18.585 25.459 19.069 904 HZ2 LYS 108 HZ2 LYS 108 -19.984 24.616 18.959 905 HZ3 LYS 108 HZ3 LYS 108 -19.524 25.573 17.734 906 H SER 109 H SER 109 -16.764 24.725 25.025 907 HA SER 109 HA SER 109 -17.320 25.895 27.670 908 HB2 SER 109 HB2 SER 109 -18.417 23.861 28.408 909 HB3 SER 109 HB3 SER 109 -19.231 24.506 26.973 910 HG SER 109 HG SER 109 -17.427 22.331 27.153 911 H LEU 110 H LEU 110 -14.746 25.826 26.544 912 HA LEU 110 HA LEU 110 -13.135 23.739 27.619 913 HB2 LEU 110 HB2 LEU 110 -12.604 26.689 27.014 914 HB3 LEU 110 HB3 LEU 110 -11.385 25.675 27.759 915 HG LEU 110 HG LEU 110 -12.575 25.239 25.006 916 HD11 LEU 110 HD11 LEU 110 -10.240 25.739 24.304 917 HD12 LEU 110 HD12 LEU 110 -10.973 27.101 25.170 918 HD13 LEU 110 HD13 LEU 110 -9.798 26.048 25.992 919 HD21 LEU 110 HD21 LEU 110 -10.665 23.572 26.682 920 HD22 LEU 110 HD22 LEU 110 -12.109 23.043 25.802 921 HD23 LEU 110 HD23 LEU 110 -10.666 23.491 24.902 922 H ASP 111 H ASP 111 -11.955 23.591 29.423 923 HA ASP 111 HA ASP 111 -12.929 24.772 31.899 924 HB2 ASP 111 HB2 ASP 111 -10.488 23.044 31.341 925 HB3 ASP 111 HB3 ASP 111 -11.002 23.599 32.935 926 H LEU 112 H LEU 112 -11.915 26.337 33.083 927 HA LEU 112 HA LEU 112 -10.603 28.479 31.818 928 HB2 LEU 112 HB2 LEU 112 -10.528 27.575 34.725 929 HB3 LEU 112 HB3 LEU 112 -9.813 29.082 34.190 930 HG LEU 112 HG LEU 112 -12.750 28.429 33.699 931 HD11 LEU 112 HD11 LEU 112 -13.248 29.802 35.694 932 HD12 LEU 112 HD12 LEU 112 -12.311 28.355 36.118 933 HD13 LEU 112 HD13 LEU 112 -11.505 29.938 36.031 934 HD21 LEU 112 HD21 LEU 112 -11.812 30.267 32.323 935 HD22 LEU 112 HD22 LEU 112 -12.968 30.885 33.512 936 HD23 LEU 112 HD23 LEU 112 -11.222 31.068 33.795 937 H ASN 113 H ASN 113 -9.094 25.910 33.747 938 HA ASN 113 HA ASN 113 -6.499 26.890 33.611 939 HB2 ASN 113 HB2 ASN 113 -7.320 23.950 33.699 940 HB3 ASN 113 HB3 ASN 113 -5.831 24.634 34.358 941 HD21 ASN 113 HD21 ASN 113 -7.442 25.820 37.329 942 HD22 ASN 113 HD22 ASN 113 -5.992 25.926 36.339 943 H THR 114 H THR 114 -8.267 25.057 31.183 944 HA THR 114 HA THR 114 -5.955 24.500 29.465 945 HB THR 114 HB THR 114 -8.947 24.055 29.300 946 HG1 THR 114 HG1 THR 114 -7.935 21.898 28.959 947 HG21 THR 114 HG21 THR 114 -8.538 22.907 27.147 948 HG22 THR 114 HG22 THR 114 -8.337 24.663 27.074 949 HG23 THR 114 HG23 THR 114 -6.894 23.618 27.110 950 H ARG 115 H ARG 115 -8.878 26.628 29.263 951 HA ARG 115 HA ARG 115 -8.038 28.030 26.919 952 HB2 ARG 115 HB2 ARG 115 -10.300 28.157 27.698 953 HB3 ARG 115 HB3 ARG 115 -9.807 28.891 29.236 954 HG2 ARG 115 HG2 ARG 115 -9.159 30.953 28.194 955 HG3 ARG 115 HG3 ARG 115 -9.158 30.238 26.569 956 HD2 ARG 115 HD2 ARG 115 -11.661 30.182 28.231 957 HD3 ARG 115 HD3 ARG 115 -11.201 31.694 27.408 958 HE ARG 115 HE ARG 115 -10.969 29.890 25.375 959 HH11 ARG 115 HH11 ARG 115 -13.657 30.618 27.522 960 HH12 ARG 115 HH12 ARG 115 -14.845 30.160 26.326 961 HH21 ARG 115 HH21 ARG 115 -12.578 29.312 23.916 962 HH22 ARG 115 HH22 ARG 115 -14.245 29.469 24.369 963 H ILE 116 H ILE 116 -7.356 28.778 30.301 964 HA ILE 116 HA ILE 116 -5.855 31.091 30.099 965 HB ILE 116 HB ILE 116 -5.746 28.663 31.806 966 HG12 ILE 116 HG12 ILE 116 -5.941 31.667 32.398 967 HG13 ILE 116 HG13 ILE 116 -7.327 30.670 32.008 968 HG21 ILE 116 HG21 ILE 116 -3.541 30.725 31.948 969 HG22 ILE 116 HG22 ILE 116 -3.899 29.514 33.202 970 HG23 ILE 116 HG23 ILE 116 -3.401 28.982 31.599 971 HD11 ILE 116 HD11 ILE 116 -7.250 30.943 34.397 972 HD12 ILE 116 HD12 ILE 116 -6.889 29.249 34.027 973 HD13 ILE 116 HD13 ILE 116 -5.579 30.365 34.484 974 H SER 117 H SER 117 -4.846 27.890 29.145 975 HA SER 117 HA SER 117 -2.036 28.349 28.886 976 HB2 SER 117 HB2 SER 117 -3.241 26.118 29.037 977 HB3 SER 117 HB3 SER 117 -3.691 26.319 27.335 978 HG SER 117 HG SER 117 -1.797 25.049 27.827 979 H VAL 118 H VAL 118 -4.747 28.928 26.745 980 HA VAL 118 HA VAL 118 -2.988 29.645 24.460 981 HB VAL 118 HB VAL 118 -4.685 28.101 23.968 982 HG11 VAL 118 HG11 VAL 118 -7.121 28.586 24.070 983 HG12 VAL 118 HG12 VAL 118 -6.322 28.427 25.644 984 HG13 VAL 118 HG13 VAL 118 -6.774 30.039 24.997 985 HG21 VAL 118 HG21 VAL 118 -5.523 30.817 22.827 986 HG22 VAL 118 HG22 VAL 118 -4.097 29.914 22.296 987 HG23 VAL 118 HG23 VAL 118 -5.715 29.243 22.056 988 H ILE 119 H ILE 119 -5.407 31.168 26.662 989 HA ILE 119 HA ILE 119 -5.220 33.667 25.339 990 HB ILE 119 HB ILE 119 -7.002 32.462 26.940 991 HG12 ILE 119 HG12 ILE 119 -8.076 34.552 27.508 992 HG13 ILE 119 HG13 ILE 119 -6.609 35.468 27.105 993 HG21 ILE 119 HG21 ILE 119 -7.016 32.860 29.179 994 HG22 ILE 119 HG22 ILE 119 -5.309 32.511 28.833 995 HG23 ILE 119 HG23 ILE 119 -5.814 34.186 29.087 996 HD11 ILE 119 HD11 ILE 119 -7.996 33.638 25.106 997 HD12 ILE 119 HD12 ILE 119 -8.450 35.355 25.307 998 HD13 ILE 119 HD13 ILE 119 -6.814 34.930 24.776 999 H GLU 120 H GLU 120 -3.247 32.278 27.918 1000 HA GLU 120 HA GLU 120 -1.936 34.850 28.391 1001 HB2 GLU 120 HB2 GLU 120 -1.616 32.109 29.627 1002 HB3 GLU 120 HB3 GLU 120 -0.523 33.467 29.964 1003 HG2 GLU 120 HG2 GLU 120 -2.509 34.885 30.548 1004 HG3 GLU 120 HG3 GLU 120 -3.531 33.441 30.444 1005 H THR 121 H THR 121 -1.030 31.774 26.756 1006 HA THR 121 HA THR 121 1.699 32.353 26.398 1007 HB THR 121 HB THR 121 0.566 30.228 25.856 1008 HG1 THR 121 HG1 THR 121 1.910 29.708 24.301 1009 HG21 THR 121 HG21 THR 121 -0.045 31.297 23.078 1010 HG22 THR 121 HG22 THR 121 -0.623 29.815 23.863 1011 HG23 THR 121 HG23 THR 121 -1.259 31.399 24.362 1012 H ILE 122 H ILE 122 -0.931 33.235 24.200 1013 HA ILE 122 HA ILE 122 0.425 34.794 22.308 1014 HB ILE 122 HB ILE 122 -1.837 33.814 22.229 1015 HG12 ILE 122 HG12 ILE 122 -1.198 35.511 20.569 1016 HG13 ILE 122 HG13 ILE 122 -2.915 35.305 20.859 1017 HG21 ILE 122 HG21 ILE 122 -2.600 34.296 24.427 1018 HG22 ILE 122 HG22 ILE 122 -2.769 36.034 24.052 1019 HG23 ILE 122 HG23 ILE 122 -3.763 34.824 23.215 1020 HD11 ILE 122 HD11 ILE 122 -2.400 37.647 20.507 1021 HD12 ILE 122 HD12 ILE 122 -2.980 37.417 22.164 1022 HD13 ILE 122 HD13 ILE 122 -1.247 37.657 21.847 1023 H ARG 123 H ARG 123 -0.853 35.746 25.495 1024 HA ARG 123 HA ARG 123 -0.207 38.569 25.258 1025 HB2 ARG 123 HB2 ARG 123 -2.014 37.540 26.681 1026 HB3 ARG 123 HB3 ARG 123 -0.784 36.877 27.749 1027 HG2 ARG 123 HG2 ARG 123 -0.014 39.147 28.316 1028 HG3 ARG 123 HG3 ARG 123 -1.168 39.845 27.151 1029 HD2 ARG 123 HD2 ARG 123 -3.060 38.881 28.413 1030 HD3 ARG 123 HD3 ARG 123 -1.929 38.142 29.566 1031 HE ARG 123 HE ARG 123 -1.384 40.935 29.480 1032 HH11 ARG 123 HH11 ARG 123 -3.990 38.870 30.631 1033 HH12 ARG 123 HH12 ARG 123 -4.469 40.040 31.838 1034 HH21 ARG 123 HH21 ARG 123 -2.054 42.335 31.047 1035 HH22 ARG 123 HH22 ARG 123 -3.418 41.926 32.056 1036 H VAL 124 H VAL 124 1.360 35.867 26.983 1037 HA VAL 124 HA VAL 124 3.548 37.284 28.074 1038 HB VAL 124 HB VAL 124 3.088 34.357 27.424 1039 HG11 VAL 124 HG11 VAL 124 4.974 33.819 28.946 1040 HG12 VAL 124 HG12 VAL 124 5.519 34.575 27.451 1041 HG13 VAL 124 HG13 VAL 124 5.448 35.530 28.952 1042 HG21 VAL 124 HG21 VAL 124 3.215 35.883 30.071 1043 HG22 VAL 124 HG22 VAL 124 1.714 35.432 29.244 1044 HG23 VAL 124 HG23 VAL 124 2.789 34.170 29.848 1045 H VAL 125 H VAL 125 3.279 35.715 24.857 1046 HA VAL 125 HA VAL 125 5.993 36.470 24.123 1047 HB VAL 125 HB VAL 125 3.628 35.618 22.433 1048 HG11 VAL 125 HG11 VAL 125 5.328 35.339 20.607 1049 HG12 VAL 125 HG12 VAL 125 5.053 37.031 21.030 1050 HG13 VAL 125 HG13 VAL 125 6.509 36.196 21.619 1051 HG21 VAL 125 HG21 VAL 125 4.950 33.522 22.163 1052 HG22 VAL 125 HG22 VAL 125 6.222 34.193 23.206 1053 HG23 VAL 125 HG23 VAL 125 4.614 33.843 23.868 1054 H THR 126 H THR 126 2.769 37.949 23.343 1055 HA THR 126 HA THR 126 4.150 40.022 21.800 1056 HB THR 126 HB THR 126 1.908 40.880 21.284 1057 HG1 THR 126 HG1 THR 126 0.874 38.750 22.820 1058 HG21 THR 126 HG21 THR 126 2.036 37.836 21.030 1059 HG22 THR 126 HG22 THR 126 0.968 38.927 20.127 1060 HG23 THR 126 HG23 THR 126 2.721 39.024 19.907 1061 H GLU 127 H GLU 127 3.443 39.938 25.127 1062 HA GLU 127 HA GLU 127 3.051 42.796 25.473 1063 HB2 GLU 127 HB2 GLU 127 3.358 42.433 27.798 1064 HB3 GLU 127 HB3 GLU 127 2.363 41.135 27.151 1065 HG2 GLU 127 HG2 GLU 127 4.344 39.619 27.180 1066 HG3 GLU 127 HG3 GLU 127 5.354 40.941 27.765 1067 H ASN 128 H ASN 128 5.785 41.108 24.486 1068 HA ASN 128 HA ASN 128 7.842 42.577 25.814 1069 HB2 ASN 128 HB2 ASN 128 7.773 40.660 23.468 1070 HB3 ASN 128 HB3 ASN 128 9.284 41.377 24.046 1071 HD21 ASN 128 HD21 ASN 128 7.737 38.289 26.089 1072 HD22 ASN 128 HD22 ASN 128 7.121 38.806 24.525 1073 H LYS 129 H LYS 129 5.903 44.274 24.284 1074 HA LYS 129 HA LYS 129 5.789 46.095 22.955 1075 HB2 LYS 129 HB2 LYS 129 7.282 46.723 24.954 1076 HB3 LYS 129 HB3 LYS 129 8.628 46.691 23.822 1077 HG2 LYS 129 HG2 LYS 129 7.894 48.963 24.078 1078 HG3 LYS 129 HG3 LYS 129 7.443 48.453 22.450 1079 HD2 LYS 129 HD2 LYS 129 5.102 48.094 23.208 1080 HD3 LYS 129 HD3 LYS 129 5.564 48.575 24.855 1081 HE2 LYS 129 HE2 LYS 129 6.145 50.826 24.059 1082 HE3 LYS 129 HE3 LYS 129 5.879 50.330 22.377 1083 HZ1 LYS 129 HZ1 LYS 129 3.779 50.451 24.470 1084 HZ2 LYS 129 HZ2 LYS 129 3.953 51.495 23.232 1085 HZ3 LYS 129 HZ3 LYS 129 3.536 49.935 22.932 1086 H ILE 130 H ILE 130 6.188 43.973 21.477 1087 HA ILE 130 HA ILE 130 8.188 44.122 19.468 1088 HB ILE 130 HB ILE 130 6.686 42.623 18.184 1089 HG12 ILE 130 HG12 ILE 130 4.744 42.829 20.529 1090 HG13 ILE 130 HG13 ILE 130 4.492 43.596 18.966 1091 HG21 ILE 130 HG21 ILE 130 6.929 40.728 19.660 1092 HG22 ILE 130 HG22 ILE 130 8.290 41.815 19.940 1093 HG23 ILE 130 HG23 ILE 130 6.947 41.765 21.100 1094 HD11 ILE 130 HD11 ILE 130 4.592 41.315 17.889 1095 HD12 ILE 130 HD12 ILE 130 4.633 40.609 19.520 1096 HD13 ILE 130 HD13 ILE 130 3.228 41.554 19.002 1097 H PHE 131 H PHE 131 8.043 44.740 17.313 1098 HA PHE 131 HA PHE 131 7.083 47.371 16.894 1099 HB2 PHE 131 HB2 PHE 131 8.077 45.413 14.797 1100 HB3 PHE 131 HB3 PHE 131 8.083 47.165 14.680 1101 HD1 PHE 131 HD1 PHE 131 9.372 48.393 16.737 1102 HD2 PHE 131 HD2 PHE 131 10.138 44.397 15.295 1103 HE1 PHE 131 HE1 PHE 131 11.663 48.484 17.687 1104 HE2 PHE 131 HE2 PHE 131 12.429 44.496 16.240 1105 HZ PHE 131 HZ PHE 131 13.200 46.538 17.440 1106 H VAL 132 H VAL 132 5.274 44.635 16.682 1107 HA VAL 132 HA VAL 132 3.692 44.915 14.336 1108 HB VAL 132 HB VAL 132 3.378 43.483 16.984 1109 HG11 VAL 132 HG11 VAL 132 1.448 42.229 16.035 1110 HG12 VAL 132 HG12 VAL 132 1.102 43.918 16.412 1111 HG13 VAL 132 HG13 VAL 132 1.363 43.419 14.714 1112 HG21 VAL 132 HG21 VAL 132 5.039 42.592 15.427 1113 HG22 VAL 132 HG22 VAL 132 3.660 41.485 15.540 1114 HG23 VAL 132 HG23 VAL 132 3.844 42.551 14.127 1115 H GLU 133 H GLU 133 3.005 46.000 17.636 1116 HA GLU 133 HA GLU 133 0.436 47.029 17.017 1117 HB2 GLU 133 HB2 GLU 133 0.270 47.785 19.234 1118 HB3 GLU 133 HB3 GLU 133 0.985 46.173 19.200 1119 HG2 GLU 133 HG2 GLU 133 3.206 47.069 19.577 1120 HG3 GLU 133 HG3 GLU 133 2.631 48.719 19.387 1121 H VAL 134 H VAL 134 0.092 49.393 18.264 1122 HA VAL 134 HA VAL 134 -0.474 51.390 17.605 1123 HB VAL 134 HB VAL 134 1.133 53.153 17.477 1124 HG11 VAL 134 HG11 VAL 134 0.575 52.130 19.653 1125 HG12 VAL 134 HG12 VAL 134 1.987 51.063 19.512 1126 HG13 VAL 134 HG13 VAL 134 2.207 52.824 19.618 1127 HG21 VAL 134 HG21 VAL 134 3.373 51.114 17.439 1128 HG22 VAL 134 HG22 VAL 134 2.848 52.055 16.021 1129 HG23 VAL 134 HG23 VAL 134 3.503 52.879 17.448 1130 H GLU 135 H GLU 135 -0.213 49.455 15.483 1131 HA GLU 135 HA GLU 135 -1.422 51.219 13.503 1132 HB2 GLU 135 HB2 GLU 135 0.562 49.023 12.762 1133 HB3 GLU 135 HB3 GLU 135 -0.418 49.890 11.594 1134 HG2 GLU 135 HG2 GLU 135 1.769 51.114 13.327 1135 HG3 GLU 135 HG3 GLU 135 1.907 50.659 11.642 1136 H ARG 136 H ARG 136 -2.293 49.466 15.611 1137 HA ARG 136 HA ARG 136 -3.777 47.222 14.401 1138 HB2 ARG 136 HB2 ARG 136 -4.071 48.544 17.135 1139 HB3 ARG 136 HB3 ARG 136 -4.879 47.074 16.622 1140 HG2 ARG 136 HG2 ARG 136 -1.885 47.454 17.026 1141 HG3 ARG 136 HG3 ARG 136 -2.984 46.539 18.047 1142 HD2 ARG 136 HD2 ARG 136 -2.211 45.856 15.179 1143 HD3 ARG 136 HD3 ARG 136 -1.624 45.053 16.633 1144 HE ARG 136 HE ARG 136 -4.226 44.610 16.977 1145 HH11 ARG 136 HH11 ARG 136 -2.419 44.206 13.984 1146 HH12 ARG 136 HH12 ARG 136 -3.546 43.012 13.403 1147 HH21 ARG 136 HH21 ARG 136 -5.584 43.105 16.139 1148 HH22 ARG 136 HH22 ARG 136 -5.254 42.404 14.578 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -2.679 1.357 -5.832 2 H2 MET 1 H2 MET 1 -1.232 1.726 -6.488 3 H3 MET 1 H3 MET 1 -2.159 2.908 -5.816 4 HA MET 1 HA MET 1 -3.856 2.602 -7.498 5 HB2 MET 1 HB2 MET 1 -1.077 3.065 -8.671 6 HB3 MET 1 HB3 MET 1 -2.595 3.413 -9.495 7 HG2 MET 1 HG2 MET 1 -3.199 5.015 -7.675 8 HG3 MET 1 HG3 MET 1 -1.620 4.729 -6.930 9 HE1 MET 1 HE1 MET 1 -1.048 7.291 -6.880 10 HE2 MET 1 HE2 MET 1 -1.240 8.371 -8.279 11 HE3 MET 1 HE3 MET 1 -2.669 7.612 -7.542 12 H SER 2 H SER 2 -4.353 1.668 -9.676 13 HA SER 2 HA SER 2 -3.101 -0.901 -10.356 14 HB2 SER 2 HB2 SER 2 -4.677 -1.437 -8.487 15 HB3 SER 2 HB3 SER 2 -6.011 -0.805 -9.467 16 HG SER 2 HG SER 2 -5.695 -3.111 -9.597 17 H ARG 3 H ARG 3 -4.413 -1.937 -12.175 18 HA ARG 3 HA ARG 3 -4.833 -1.916 -14.419 19 HB2 ARG 3 HB2 ARG 3 -6.595 0.490 -13.797 20 HB3 ARG 3 HB3 ARG 3 -6.671 -0.514 -15.244 21 HG2 ARG 3 HG2 ARG 3 -7.234 -2.496 -13.845 22 HG3 ARG 3 HG3 ARG 3 -7.258 -1.458 -12.405 23 HD2 ARG 3 HD2 ARG 3 -9.035 -0.073 -13.430 24 HD3 ARG 3 HD3 ARG 3 -9.039 -1.102 -14.860 25 HE ARG 3 HE ARG 3 -10.152 -1.708 -12.190 26 HH11 ARG 3 HH11 ARG 3 -11.429 -3.474 -11.920 27 HH12 ARG 3 HH12 ARG 3 -11.521 -4.687 -13.173 28 HH21 ARG 3 HH21 ARG 3 -9.354 -3.137 -15.305 29 HH22 ARG 3 HH22 ARG 3 -10.391 -4.508 -15.016 30 H ASP 4 H ASP 4 -5.102 -0.203 -16.426 31 HA ASP 4 HA ASP 4 -2.335 0.463 -16.878 32 HB2 ASP 4 HB2 ASP 4 -4.786 0.909 -18.620 33 HB3 ASP 4 HB3 ASP 4 -3.116 1.063 -19.161 34 H ALA 5 H ALA 5 -4.595 2.446 -15.362 35 HA ALA 5 HA ALA 5 -3.926 5.004 -16.455 36 HB1 ALA 5 HB1 ALA 5 -4.812 4.216 -13.651 37 HB2 ALA 5 HB2 ALA 5 -4.794 5.866 -14.309 38 HB3 ALA 5 HB3 ALA 5 -5.869 4.644 -15.018 39 HA PRO 6 HA PRO 6 0.300 4.993 -15.050 40 HB2 PRO 6 HB2 PRO 6 1.122 7.507 -15.715 41 HB3 PRO 6 HB3 PRO 6 0.664 6.296 -16.954 42 HG2 PRO 6 HG2 PRO 6 -1.044 8.527 -15.804 43 HG3 PRO 6 HG3 PRO 6 -0.808 8.088 -17.526 44 HD2 PRO 6 HD2 PRO 6 -2.949 7.234 -16.011 45 HD3 PRO 6 HD3 PRO 6 -2.259 6.259 -17.356 46 H ILE 7 H ILE 7 1.596 5.647 -13.262 47 HA ILE 7 HA ILE 7 0.199 6.856 -11.043 48 HB ILE 7 HB ILE 7 3.072 5.944 -11.389 49 HG12 ILE 7 HG12 ILE 7 1.288 4.560 -9.420 50 HG13 ILE 7 HG13 ILE 7 0.769 4.377 -11.086 51 HG21 ILE 7 HG21 ILE 7 3.098 7.666 -9.650 52 HG22 ILE 7 HG22 ILE 7 1.696 6.916 -8.845 53 HG23 ILE 7 HG23 ILE 7 3.261 6.082 -8.898 54 HD11 ILE 7 HD11 ILE 7 3.560 3.728 -10.073 55 HD12 ILE 7 HD12 ILE 7 2.275 2.560 -10.457 56 HD13 ILE 7 HD13 ILE 7 2.981 3.556 -11.752 57 H LYS 8 H LYS 8 0.226 8.892 -10.396 58 HA LYS 8 HA LYS 8 2.340 10.796 -11.330 59 HB2 LYS 8 HB2 LYS 8 -0.637 11.416 -11.204 60 HB3 LYS 8 HB3 LYS 8 0.664 12.568 -11.539 61 HG2 LYS 8 HG2 LYS 8 1.260 11.158 -13.579 62 HG3 LYS 8 HG3 LYS 8 -0.233 10.249 -13.301 63 HD2 LYS 8 HD2 LYS 8 0.018 13.237 -13.860 64 HD3 LYS 8 HD3 LYS 8 -0.583 12.000 -14.975 65 HE2 LYS 8 HE2 LYS 8 -2.480 11.540 -13.385 66 HE3 LYS 8 HE3 LYS 8 -1.900 12.860 -12.349 67 HZ1 LYS 8 HZ1 LYS 8 -3.649 13.608 -13.839 68 HZ2 LYS 8 HZ2 LYS 8 -2.267 14.383 -14.213 69 HZ3 LYS 8 HZ3 LYS 8 -2.805 13.174 -15.159 70 H ALA 9 H ALA 9 3.438 11.266 -9.525 71 HA ALA 9 HA ALA 9 2.055 11.607 -6.945 72 HB1 ALA 9 HB1 ALA 9 4.220 10.521 -6.963 73 HB2 ALA 9 HB2 ALA 9 4.965 11.991 -7.658 74 HB3 ALA 9 HB3 ALA 9 4.212 12.049 -6.036 75 H ASP 10 H ASP 10 0.707 13.136 -8.062 76 HA ASP 10 HA ASP 10 1.429 15.819 -8.731 77 HB2 ASP 10 HB2 ASP 10 -0.683 14.518 -9.309 78 HB3 ASP 10 HB3 ASP 10 -1.170 14.711 -7.616 79 H LYS 11 H LYS 11 1.103 14.255 -5.724 80 HA LYS 11 HA LYS 11 0.317 16.456 -4.043 81 HB2 LYS 11 HB2 LYS 11 -0.143 13.959 -3.798 82 HB3 LYS 11 HB3 LYS 11 1.473 13.786 -3.136 83 HG2 LYS 11 HG2 LYS 11 0.846 14.736 -1.092 84 HG3 LYS 11 HG3 LYS 11 -0.219 15.905 -1.867 85 HD2 LYS 11 HD2 LYS 11 -1.618 14.463 -0.591 86 HD3 LYS 11 HD3 LYS 11 -1.887 14.116 -2.294 87 HE2 LYS 11 HE2 LYS 11 -0.111 12.189 -1.927 88 HE3 LYS 11 HE3 LYS 11 -0.455 12.417 -0.201 89 HZ1 LYS 11 HZ1 LYS 11 -2.446 11.740 -2.305 90 HZ2 LYS 11 HZ2 LYS 11 -1.893 10.726 -1.172 91 HZ3 LYS 11 HZ3 LYS 11 -2.829 11.989 -0.746 92 H ASP 12 H ASP 12 2.094 17.838 -5.048 93 HA ASP 12 HA ASP 12 4.808 17.675 -4.051 94 HB2 ASP 12 HB2 ASP 12 3.194 20.042 -5.075 95 HB3 ASP 12 HB3 ASP 12 4.905 20.105 -4.666 96 H TYR 13 H TYR 13 5.551 18.000 -2.066 97 HA TYR 13 HA TYR 13 5.616 18.280 0.181 98 HB2 TYR 13 HB2 TYR 13 3.857 20.735 -0.081 99 HB3 TYR 13 HB3 TYR 13 5.013 20.362 1.182 100 HD1 TYR 13 HD1 TYR 13 4.531 21.935 -2.031 101 HD2 TYR 13 HD2 TYR 13 7.511 20.322 0.640 102 HE1 TYR 13 HE1 TYR 13 6.305 23.210 -3.238 103 HE2 TYR 13 HE2 TYR 13 9.277 21.608 -0.560 104 HH TYR 13 HH TYR 13 9.741 23.041 -2.252 105 H SER 14 H SER 14 4.260 18.434 2.229 106 HA SER 14 HA SER 14 2.836 17.292 3.563 107 HB2 SER 14 HB2 SER 14 1.159 18.775 2.523 108 HB3 SER 14 HB3 SER 14 0.785 17.495 1.351 109 HG SER 14 HG SER 14 -0.605 17.539 3.120 110 H GLN 15 H GLN 15 3.425 15.789 0.440 111 HA GLN 15 HA GLN 15 2.171 13.330 0.763 112 HB2 GLN 15 HB2 GLN 15 3.779 12.378 -0.779 113 HB3 GLN 15 HB3 GLN 15 3.224 13.954 -1.309 114 HG2 GLN 15 HG2 GLN 15 5.371 14.973 -0.588 115 HG3 GLN 15 HG3 GLN 15 5.906 13.420 0.074 116 HE21 GLN 15 HE21 GLN 15 5.731 13.690 -4.040 117 HE22 GLN 15 HE22 GLN 15 4.529 14.574 -3.086 118 H ILE 16 H ILE 16 5.045 14.425 2.333 119 HA ILE 16 HA ILE 16 6.064 12.031 3.486 120 HB ILE 16 HB ILE 16 5.917 14.887 4.595 121 HG12 ILE 16 HG12 ILE 16 8.366 13.726 3.309 122 HG13 ILE 16 HG13 ILE 16 7.077 14.437 2.331 123 HG21 ILE 16 HG21 ILE 16 7.420 12.376 5.465 124 HG22 ILE 16 HG22 ILE 16 7.997 13.997 5.914 125 HG23 ILE 16 HG23 ILE 16 6.403 13.418 6.450 126 HD11 ILE 16 HD11 ILE 16 8.794 16.104 2.809 127 HD12 ILE 16 HD12 ILE 16 7.202 16.554 3.444 128 HD13 ILE 16 HD13 ILE 16 8.471 15.951 4.553 129 H LEU 17 H LEU 17 3.742 14.403 4.740 130 HA LEU 17 HA LEU 17 3.168 13.060 7.212 131 HB2 LEU 17 HB2 LEU 17 1.448 14.939 5.556 132 HB3 LEU 17 HB3 LEU 17 1.402 14.715 7.324 133 HG LEU 17 HG LEU 17 3.494 16.180 5.675 134 HD11 LEU 17 HD11 LEU 17 1.306 17.099 7.579 135 HD12 LEU 17 HD12 LEU 17 2.601 18.127 6.936 136 HD13 LEU 17 HD13 LEU 17 1.421 17.399 5.835 137 HD21 LEU 17 HD21 LEU 17 4.671 15.323 7.518 138 HD22 LEU 17 HD22 LEU 17 4.301 16.992 7.950 139 HD23 LEU 17 HD23 LEU 17 3.350 15.675 8.672 140 H LYS 18 H LYS 18 1.878 12.945 3.942 141 HA LYS 18 HA LYS 18 -0.514 11.433 4.444 142 HB2 LYS 18 HB2 LYS 18 1.017 11.901 1.912 143 HB3 LYS 18 HB3 LYS 18 -0.616 11.251 2.006 144 HG2 LYS 18 HG2 LYS 18 0.121 13.992 3.098 145 HG3 LYS 18 HG3 LYS 18 -0.423 13.762 1.450 146 HD2 LYS 18 HD2 LYS 18 -2.619 12.996 2.276 147 HD3 LYS 18 HD3 LYS 18 -2.022 13.007 3.950 148 HE2 LYS 18 HE2 LYS 18 -1.537 15.444 3.756 149 HE3 LYS 18 HE3 LYS 18 -2.211 15.457 2.125 150 HZ1 LYS 18 HZ1 LYS 18 -4.368 14.880 3.058 151 HZ2 LYS 18 HZ2 LYS 18 -3.751 14.719 4.560 152 HZ3 LYS 18 HZ3 LYS 18 -3.783 16.189 3.863 153 H GLU 19 H GLU 19 2.846 10.543 3.808 154 HA GLU 19 HA GLU 19 2.041 7.733 3.386 155 HB2 GLU 19 HB2 GLU 19 3.860 7.418 2.086 156 HB3 GLU 19 HB3 GLU 19 3.497 9.111 1.752 157 HG2 GLU 19 HG2 GLU 19 5.267 9.710 3.496 158 HG3 GLU 19 HG3 GLU 19 5.663 7.999 3.609 159 H GLU 20 H GLU 20 4.116 9.702 5.566 160 HA GLU 20 HA GLU 20 5.112 7.280 6.839 161 HB2 GLU 20 HB2 GLU 20 6.782 8.487 7.553 162 HB3 GLU 20 HB3 GLU 20 6.308 9.591 6.264 163 HG2 GLU 20 HG2 GLU 20 5.489 11.181 7.725 164 HG3 GLU 20 HG3 GLU 20 5.325 10.060 9.079 165 H PHE 21 H PHE 21 2.394 9.375 7.445 166 HA PHE 21 HA PHE 21 2.195 9.062 10.260 167 HB2 PHE 21 HB2 PHE 21 0.737 10.607 9.312 168 HB3 PHE 21 HB3 PHE 21 0.181 9.506 8.071 169 HD1 PHE 21 HD1 PHE 21 -2.102 9.068 8.285 170 HD2 PHE 21 HD2 PHE 21 0.312 9.304 11.855 171 HE1 PHE 21 HE1 PHE 21 -4.077 8.491 9.672 172 HE2 PHE 21 HE2 PHE 21 -1.667 8.735 13.236 173 HZ PHE 21 HZ PHE 21 -3.867 8.323 12.143 174 HA PRO 22 HA PRO 22 0.075 4.747 9.555 175 HB2 PRO 22 HB2 PRO 22 1.580 4.067 7.043 176 HB3 PRO 22 HB3 PRO 22 0.006 3.434 7.640 177 HG2 PRO 22 HG2 PRO 22 0.061 5.353 5.707 178 HG3 PRO 22 HG3 PRO 22 -1.114 5.475 7.064 179 HD2 PRO 22 HD2 PRO 22 1.507 6.915 6.705 180 HD3 PRO 22 HD3 PRO 22 -0.058 7.520 7.305 181 H LYS 23 H LYS 23 3.498 5.523 8.649 182 HA LYS 23 HA LYS 23 4.610 3.134 9.811 183 HB2 LYS 23 HB2 LYS 23 5.967 5.817 9.445 184 HB3 LYS 23 HB3 LYS 23 6.754 4.291 9.785 185 HG2 LYS 23 HG2 LYS 23 5.088 4.797 7.294 186 HG3 LYS 23 HG3 LYS 23 6.843 5.015 7.388 187 HD2 LYS 23 HD2 LYS 23 7.080 2.595 7.989 188 HD3 LYS 23 HD3 LYS 23 5.322 2.397 7.787 189 HE2 LYS 23 HE2 LYS 23 5.504 3.156 5.432 190 HE3 LYS 23 HE3 LYS 23 7.250 3.365 5.631 191 HZ1 LYS 23 HZ1 LYS 23 7.418 0.971 6.045 192 HZ2 LYS 23 HZ2 LYS 23 5.806 0.780 5.866 193 HZ3 LYS 23 HZ3 LYS 23 6.721 1.238 4.599 194 H ILE 24 H ILE 24 3.693 6.273 11.134 195 HA ILE 24 HA ILE 24 4.747 5.675 13.812 196 HB ILE 24 HB ILE 24 4.432 7.760 14.410 197 HG12 ILE 24 HG12 ILE 24 2.597 9.209 12.776 198 HG13 ILE 24 HG13 ILE 24 1.742 7.760 13.182 199 HG21 ILE 24 HG21 ILE 24 4.172 8.210 11.436 200 HG22 ILE 24 HG22 ILE 24 4.930 9.325 12.593 201 HG23 ILE 24 HG23 ILE 24 5.705 7.761 12.229 202 HD11 ILE 24 HD11 ILE 24 3.108 9.589 15.202 203 HD12 ILE 24 HD12 ILE 24 1.381 9.623 14.770 204 HD13 ILE 24 HD13 ILE 24 2.034 8.183 15.544 205 H ASP 25 H ASP 25 1.737 5.329 12.134 206 HA ASP 25 HA ASP 25 -0.026 5.542 14.318 207 HB2 ASP 25 HB2 ASP 25 -0.536 5.669 11.919 208 HB3 ASP 25 HB3 ASP 25 -0.232 3.941 11.745 209 H SER 26 H SER 26 1.693 2.722 13.062 210 HA SER 26 HA SER 26 0.823 0.705 14.892 211 HB2 SER 26 HB2 SER 26 3.499 1.169 13.518 212 HB3 SER 26 HB3 SER 26 3.005 -0.356 14.286 213 HG SER 26 HG SER 26 1.341 -0.532 12.779 214 H LEU 27 H LEU 27 3.178 3.386 15.331 215 HA LEU 27 HA LEU 27 4.164 2.309 17.854 216 HB2 LEU 27 HB2 LEU 27 5.797 3.499 16.673 217 HB3 LEU 27 HB3 LEU 27 4.684 4.762 16.187 218 HG LEU 27 HG LEU 27 4.537 5.559 18.532 219 HD11 LEU 27 HD11 LEU 27 6.886 3.639 18.978 220 HD12 LEU 27 HD12 LEU 27 6.269 4.838 20.140 221 HD13 LEU 27 HD13 LEU 27 5.274 3.458 19.699 222 HD21 LEU 27 HD21 LEU 27 6.743 6.650 18.506 223 HD22 LEU 27 HD22 LEU 27 7.352 5.448 17.346 224 HD23 LEU 27 HD23 LEU 27 6.069 6.577 16.870 225 H ALA 28 H ALA 28 2.081 5.062 16.863 226 HA ALA 28 HA ALA 28 1.400 6.022 19.383 227 HB1 ALA 28 HB1 ALA 28 0.919 7.165 17.247 228 HB2 ALA 28 HB2 ALA 28 -0.322 5.953 16.863 229 HB3 ALA 28 HB3 ALA 28 -0.537 7.052 18.248 230 H GLN 29 H GLN 29 0.039 3.200 17.792 231 HA GLN 29 HA GLN 29 -2.093 2.725 19.674 232 HB2 GLN 29 HB2 GLN 29 -0.611 0.971 17.695 233 HB3 GLN 29 HB3 GLN 29 -1.903 0.333 18.705 234 HG2 GLN 29 HG2 GLN 29 -2.272 2.706 16.828 235 HG3 GLN 29 HG3 GLN 29 -2.596 1.041 16.383 236 HE21 GLN 29 HE21 GLN 29 -5.861 2.446 17.359 237 HE22 GLN 29 HE22 GLN 29 -4.688 2.690 16.069 238 H ASN 30 H ASN 30 1.213 2.624 20.258 239 HA ASN 30 HA ASN 30 0.970 0.741 22.519 240 HB2 ASN 30 HB2 ASN 30 3.159 0.963 20.407 241 HB3 ASN 30 HB3 ASN 30 3.344 0.065 21.913 242 HD21 ASN 30 HD21 ASN 30 1.410 -1.722 18.876 243 HD22 ASN 30 HD22 ASN 30 2.139 -0.140 18.653 244 H ASP 31 H ASP 31 2.833 3.509 21.211 245 HA ASP 31 HA ASP 31 2.988 4.708 23.884 246 HB2 ASP 31 HB2 ASP 31 4.996 3.250 23.786 247 HB3 ASP 31 HB3 ASP 31 5.502 4.037 22.294 248 H CYS 32 H CYS 32 1.457 6.118 22.667 249 HA CYS 32 HA CYS 32 2.329 7.694 20.473 250 HB2 CYS 32 HB2 CYS 32 -0.045 7.346 21.209 251 HB3 CYS 32 HB3 CYS 32 0.250 8.450 22.568 252 HG CYS 32 HG CYS 32 1.191 10.407 20.943 253 H ASN 33 H ASN 33 3.287 7.951 23.777 254 HA ASN 33 HA ASN 33 4.049 10.696 23.917 255 HB2 ASN 33 HB2 ASN 33 5.513 8.400 25.254 256 HB3 ASN 33 HB3 ASN 33 5.420 10.066 25.781 257 HD21 ASN 33 HD21 ASN 33 2.595 7.431 26.945 258 HD22 ASN 33 HD22 ASN 33 3.961 6.951 25.927 259 H SER 34 H SER 34 5.552 7.926 22.330 260 HA SER 34 HA SER 34 7.917 9.527 21.489 261 HB2 SER 34 HB2 SER 34 7.107 6.670 20.871 262 HB3 SER 34 HB3 SER 34 8.598 7.466 20.338 263 HG SER 34 HG SER 34 7.828 6.556 22.894 264 H ALA 35 H ALA 35 4.812 8.315 20.233 265 HA ALA 35 HA ALA 35 5.416 8.702 17.477 266 HB1 ALA 35 HB1 ALA 35 3.319 7.884 17.156 267 HB2 ALA 35 HB2 ALA 35 3.514 7.378 18.813 268 HB3 ALA 35 HB3 ALA 35 2.586 8.857 18.465 269 H LEU 36 H LEU 36 4.053 10.975 19.866 270 HA LEU 36 HA LEU 36 3.498 13.085 18.036 271 HB2 LEU 36 HB2 LEU 36 3.480 14.507 19.997 272 HB3 LEU 36 HB3 LEU 36 2.793 12.948 20.395 273 HG LEU 36 HG LEU 36 5.261 12.413 21.255 274 HD11 LEU 36 HD11 LEU 36 6.363 14.336 22.287 275 HD12 LEU 36 HD12 LEU 36 6.254 14.646 20.553 276 HD13 LEU 36 HD13 LEU 36 5.126 15.433 21.654 277 HD21 LEU 36 HD21 LEU 36 4.577 13.191 23.490 278 HD22 LEU 36 HD22 LEU 36 3.312 14.215 22.759 279 HD23 LEU 36 HD23 LEU 36 3.226 12.447 22.618 280 H ASP 37 H ASP 37 6.491 11.912 19.352 281 HA ASP 37 HA ASP 37 8.151 14.059 18.276 282 HB2 ASP 37 HB2 ASP 37 8.513 12.496 20.396 283 HB3 ASP 37 HB3 ASP 37 9.195 11.390 19.200 284 H GLN 38 H GLN 38 6.420 11.893 16.654 285 HA GLN 38 HA GLN 38 8.436 11.691 14.526 286 HB2 GLN 38 HB2 GLN 38 6.007 9.911 14.979 287 HB3 GLN 38 HB3 GLN 38 7.095 9.812 13.593 288 HG2 GLN 38 HG2 GLN 38 8.025 9.483 16.473 289 HG3 GLN 38 HG3 GLN 38 7.478 8.143 15.471 290 HE21 GLN 38 HE21 GLN 38 11.185 9.751 14.746 291 HE22 GLN 38 HE22 GLN 38 10.037 10.672 15.724 292 H LEU 39 H LEU 39 4.795 12.094 14.872 293 HA LEU 39 HA LEU 39 4.722 13.452 12.336 294 HB2 LEU 39 HB2 LEU 39 2.771 13.694 14.668 295 HB3 LEU 39 HB3 LEU 39 2.491 14.301 13.035 296 HG LEU 39 HG LEU 39 2.739 11.432 13.928 297 HD11 LEU 39 HD11 LEU 39 0.472 12.921 12.522 298 HD12 LEU 39 HD12 LEU 39 0.423 11.260 13.154 299 HD13 LEU 39 HD13 LEU 39 0.556 12.621 14.267 300 HD21 LEU 39 HD21 LEU 39 2.578 12.627 11.106 301 HD22 LEU 39 HD22 LEU 39 3.793 11.480 11.723 302 HD23 LEU 39 HD23 LEU 39 2.129 10.955 11.449 303 H LEU 40 H LEU 40 4.963 14.975 15.668 304 HA LEU 40 HA LEU 40 4.678 17.565 14.315 305 HB2 LEU 40 HB2 LEU 40 5.278 17.161 17.233 306 HB3 LEU 40 HB3 LEU 40 4.738 18.608 16.414 307 HG LEU 40 HG LEU 40 2.732 18.009 17.275 308 HD11 LEU 40 HD11 LEU 40 2.391 17.789 14.781 309 HD12 LEU 40 HD12 LEU 40 2.455 16.050 14.987 310 HD13 LEU 40 HD13 LEU 40 1.200 16.970 15.811 311 HD21 LEU 40 HD21 LEU 40 2.050 16.004 18.089 312 HD22 LEU 40 HD22 LEU 40 3.098 15.049 17.001 313 HD23 LEU 40 HD23 LEU 40 3.787 15.964 18.354 314 H VAL 41 H VAL 41 7.271 15.516 14.797 315 HA VAL 41 HA VAL 41 9.432 17.445 14.629 316 HB VAL 41 HB VAL 41 9.179 14.479 14.062 317 HG11 VAL 41 HG11 VAL 41 11.696 16.184 13.751 318 HG12 VAL 41 HG12 VAL 41 11.664 14.410 13.835 319 HG13 VAL 41 HG13 VAL 41 10.899 15.233 12.477 320 HG21 VAL 41 HG21 VAL 41 9.245 15.213 16.429 321 HG22 VAL 41 HG22 VAL 41 10.765 14.405 16.021 322 HG23 VAL 41 HG23 VAL 41 10.707 16.168 16.121 323 H LEU 42 H LEU 42 7.271 15.855 12.313 324 HA LEU 42 HA LEU 42 8.528 16.872 9.942 325 HB2 LEU 42 HB2 LEU 42 5.596 16.316 10.414 326 HB3 LEU 42 HB3 LEU 42 6.385 16.485 8.866 327 HG LEU 42 HG LEU 42 7.185 14.300 10.835 328 HD11 LEU 42 HD11 LEU 42 5.459 13.619 8.473 329 HD12 LEU 42 HD12 LEU 42 5.780 12.734 9.952 330 HD13 LEU 42 HD13 LEU 42 4.714 14.142 10.005 331 HD21 LEU 42 HD21 LEU 42 8.019 13.303 8.626 332 HD22 LEU 42 HD22 LEU 42 7.716 14.910 7.919 333 HD23 LEU 42 HD23 LEU 42 8.889 14.721 9.233 334 H GLU 43 H GLU 43 5.825 18.230 11.911 335 HA GLU 43 HA GLU 43 5.555 20.744 10.607 336 HB2 GLU 43 HB2 GLU 43 4.047 20.328 12.302 337 HB3 GLU 43 HB3 GLU 43 5.237 19.817 13.460 338 HG2 GLU 43 HG2 GLU 43 5.363 22.695 12.584 339 HG3 GLU 43 HG3 GLU 43 3.950 22.220 13.471 340 H LYS 44 H LYS 44 7.938 19.774 13.053 341 HA LYS 44 HA LYS 44 9.314 22.276 13.215 342 HB2 LYS 44 HB2 LYS 44 9.426 20.358 14.841 343 HB3 LYS 44 HB3 LYS 44 10.425 19.474 13.693 344 HG2 LYS 44 HG2 LYS 44 12.148 21.280 13.796 345 HG3 LYS 44 HG3 LYS 44 11.147 22.140 14.986 346 HD2 LYS 44 HD2 LYS 44 11.314 20.155 16.517 347 HD3 LYS 44 HD3 LYS 44 12.293 19.328 15.302 348 HE2 LYS 44 HE2 LYS 44 13.817 20.170 16.908 349 HE3 LYS 44 HE3 LYS 44 13.999 21.163 15.462 350 HZ1 LYS 44 HZ1 LYS 44 12.619 22.864 16.565 351 HZ2 LYS 44 HZ2 LYS 44 12.472 21.926 17.895 352 HZ3 LYS 44 HZ3 LYS 44 13.926 22.514 17.468 353 H LYS 45 H LYS 45 10.166 19.368 11.341 354 HA LYS 45 HA LYS 45 12.393 20.455 9.926 355 HB2 LYS 45 HB2 LYS 45 11.833 18.041 10.146 356 HB3 LYS 45 HB3 LYS 45 10.437 18.266 9.084 357 HG2 LYS 45 HG2 LYS 45 11.944 18.938 7.229 358 HG3 LYS 45 HG3 LYS 45 13.345 18.785 8.309 359 HD2 LYS 45 HD2 LYS 45 12.851 16.364 8.594 360 HD3 LYS 45 HD3 LYS 45 11.446 16.528 7.508 361 HE2 LYS 45 HE2 LYS 45 12.942 17.266 5.672 362 HE3 LYS 45 HE3 LYS 45 14.340 17.140 6.748 363 HZ1 LYS 45 HZ1 LYS 45 14.119 15.169 5.373 364 HZ2 LYS 45 HZ2 LYS 45 13.909 14.755 6.929 365 HZ3 LYS 45 HZ3 LYS 45 12.625 14.862 5.930 366 H THR 46 H THR 46 8.958 20.316 8.984 367 HA THR 46 HA THR 46 9.279 21.474 6.386 368 HB THR 46 HB THR 46 6.850 21.858 6.442 369 HG1 THR 46 HG1 THR 46 6.995 20.564 8.927 370 HG21 THR 46 HG21 THR 46 8.099 19.189 7.071 371 HG22 THR 46 HG22 THR 46 6.343 19.359 6.974 372 HG23 THR 46 HG23 THR 46 7.362 19.818 5.579 373 H ARG 47 H ARG 47 8.522 23.108 9.517 374 HA ARG 47 HA ARG 47 8.471 25.702 8.220 375 HB2 ARG 47 HB2 ARG 47 7.625 25.095 10.620 376 HB3 ARG 47 HB3 ARG 47 9.278 25.400 11.156 377 HG2 ARG 47 HG2 ARG 47 7.649 27.358 9.490 378 HG3 ARG 47 HG3 ARG 47 7.558 27.316 11.241 379 HD2 ARG 47 HD2 ARG 47 9.658 28.203 11.561 380 HD3 ARG 47 HD3 ARG 47 10.276 27.731 9.996 381 HE ARG 47 HE ARG 47 8.533 30.039 10.605 382 HH11 ARG 47 HH11 ARG 47 10.285 28.294 8.052 383 HH12 ARG 47 HH12 ARG 47 9.994 29.574 6.911 384 HH21 ARG 47 HH21 ARG 47 7.969 31.448 8.862 385 HH22 ARG 47 HH22 ARG 47 8.778 31.218 7.344 386 H GLN 48 H GLN 48 11.156 23.894 9.763 387 HA GLN 48 HA GLN 48 13.015 26.058 9.436 388 HB2 GLN 48 HB2 GLN 48 13.399 23.097 9.992 389 HB3 GLN 48 HB3 GLN 48 14.735 24.245 9.958 390 HG2 GLN 48 HG2 GLN 48 12.312 24.502 11.795 391 HG3 GLN 48 HG3 GLN 48 13.845 23.771 12.260 392 HE21 GLN 48 HE21 GLN 48 13.832 27.327 13.430 393 HE22 GLN 48 HE22 GLN 48 12.793 25.936 13.717 394 H ALA 49 H ALA 49 12.333 23.233 7.394 395 HA ALA 49 HA ALA 49 14.424 23.722 5.488 396 HB1 ALA 49 HB1 ALA 49 13.519 21.490 6.102 397 HB2 ALA 49 HB2 ALA 49 11.931 21.961 5.450 398 HB3 ALA 49 HB3 ALA 49 13.332 21.805 4.363 399 H SER 50 H SER 50 11.473 25.330 5.932 400 HA SER 50 HA SER 50 10.018 26.485 4.709 401 HB2 SER 50 HB2 SER 50 12.123 26.710 2.539 402 HB3 SER 50 HB3 SER 50 10.649 27.683 2.705 403 HG SER 50 HG SER 50 12.827 27.548 4.523 404 H ASP 51 H ASP 51 10.018 23.663 4.576 405 HA ASP 51 HA ASP 51 8.551 23.032 2.053 406 HB2 ASP 51 HB2 ASP 51 9.502 21.233 4.310 407 HB3 ASP 51 HB3 ASP 51 8.550 20.696 2.932 408 H LEU 52 H LEU 52 7.741 24.898 4.170 409 HA LEU 52 HA LEU 52 6.003 23.805 6.004 410 HB2 LEU 52 HB2 LEU 52 5.390 25.954 6.591 411 HB3 LEU 52 HB3 LEU 52 7.115 25.959 6.184 412 HG LEU 52 HG LEU 52 4.899 26.988 4.352 413 HD11 LEU 52 HD11 LEU 52 6.712 28.478 6.290 414 HD12 LEU 52 HD12 LEU 52 5.656 29.244 5.076 415 HD13 LEU 52 HD13 LEU 52 4.944 28.300 6.397 416 HD21 LEU 52 HD21 LEU 52 6.799 28.190 3.258 417 HD22 LEU 52 HD22 LEU 52 7.927 27.307 4.308 418 HD23 LEU 52 HD23 LEU 52 6.923 26.438 3.116 419 H ALA 53 H ALA 53 5.362 24.399 2.808 420 HA ALA 53 HA ALA 53 2.502 24.500 2.647 421 HB1 ALA 53 HB1 ALA 53 4.542 23.029 0.916 422 HB2 ALA 53 HB2 ALA 53 2.844 23.313 0.467 423 HB3 ALA 53 HB3 ALA 53 3.953 24.687 0.676 424 H SER 54 H SER 54 4.673 21.908 3.626 425 HA SER 54 HA SER 54 2.526 19.896 4.012 426 HB2 SER 54 HB2 SER 54 5.182 19.845 5.382 427 HB3 SER 54 HB3 SER 54 4.221 18.477 4.863 428 HG SER 54 HG SER 54 5.985 20.163 3.449 429 H SER 55 H SER 55 4.674 21.926 6.127 430 HA SER 55 HA SER 55 3.774 21.402 8.625 431 HB2 SER 55 HB2 SER 55 5.395 23.270 7.807 432 HB3 SER 55 HB3 SER 55 3.967 24.305 7.854 433 HG SER 55 HG SER 55 5.395 23.031 9.878 434 H LYS 56 H LYS 56 2.139 23.458 6.313 435 HA LYS 56 HA LYS 56 -0.052 24.488 7.740 436 HB2 LYS 56 HB2 LYS 56 0.692 24.117 4.934 437 HB3 LYS 56 HB3 LYS 56 -1.004 23.733 5.141 438 HG2 LYS 56 HG2 LYS 56 -0.960 26.036 4.642 439 HG3 LYS 56 HG3 LYS 56 -1.321 25.918 6.354 440 HD2 LYS 56 HD2 LYS 56 0.244 27.692 6.190 441 HD3 LYS 56 HD3 LYS 56 1.173 26.329 6.803 442 HE2 LYS 56 HE2 LYS 56 2.523 27.401 5.149 443 HE3 LYS 56 HE3 LYS 56 1.984 25.873 4.448 444 HZ1 LYS 56 HZ1 LYS 56 1.754 27.735 2.876 445 HZ2 LYS 56 HZ2 LYS 56 0.273 27.154 3.216 446 HZ3 LYS 56 HZ3 LYS 56 0.783 28.544 3.891 447 H GLU 57 H GLU 57 0.197 21.140 6.598 448 HA GLU 57 HA GLU 57 -2.603 20.604 7.418 449 HB2 GLU 57 HB2 GLU 57 -0.516 18.740 6.227 450 HB3 GLU 57 HB3 GLU 57 -2.198 18.356 6.583 451 HG2 GLU 57 HG2 GLU 57 -2.661 20.480 5.016 452 HG3 GLU 57 HG3 GLU 57 -1.033 20.116 4.423 453 H VAL 58 H VAL 58 0.712 19.908 8.543 454 HA VAL 58 HA VAL 58 -0.246 18.088 10.615 455 HB VAL 58 HB VAL 58 1.847 17.546 9.801 456 HG11 VAL 58 HG11 VAL 58 2.629 19.586 8.848 457 HG12 VAL 58 HG12 VAL 58 2.793 20.349 10.449 458 HG13 VAL 58 HG13 VAL 58 3.849 18.990 9.964 459 HG21 VAL 58 HG21 VAL 58 1.605 17.206 12.227 460 HG22 VAL 58 HG22 VAL 58 3.282 17.490 11.747 461 HG23 VAL 58 HG23 VAL 58 2.351 18.788 12.521 462 H LEU 59 H LEU 59 0.453 21.548 10.531 463 HA LEU 59 HA LEU 59 0.270 22.110 13.304 464 HB2 LEU 59 HB2 LEU 59 -0.631 23.638 10.848 465 HB3 LEU 59 HB3 LEU 59 -0.589 24.360 12.455 466 HG LEU 59 HG LEU 59 1.916 23.124 11.249 467 HD11 LEU 59 HD11 LEU 59 2.574 25.312 10.455 468 HD12 LEU 59 HD12 LEU 59 1.035 24.870 9.701 469 HD13 LEU 59 HD13 LEU 59 1.057 26.033 11.048 470 HD21 LEU 59 HD21 LEU 59 1.922 23.632 13.675 471 HD22 LEU 59 HD22 LEU 59 3.086 24.546 12.710 472 HD23 LEU 59 HD23 LEU 59 1.602 25.341 13.278 473 H ALA 60 H ALA 60 -2.324 21.267 11.084 474 HA ALA 60 HA ALA 60 -4.404 21.972 12.989 475 HB1 ALA 60 HB1 ALA 60 -4.710 22.192 10.522 476 HB2 ALA 60 HB2 ALA 60 -4.474 20.436 10.342 477 HB3 ALA 60 HB3 ALA 60 -5.896 21.055 11.202 478 H LYS 61 H LYS 61 -2.369 19.281 12.830 479 HA LYS 61 HA LYS 61 -4.150 18.045 14.802 480 HB2 LYS 61 HB2 LYS 61 -4.217 16.071 14.051 481 HB3 LYS 61 HB3 LYS 61 -3.861 16.830 12.515 482 HG2 LYS 61 HG2 LYS 61 -1.757 15.482 14.283 483 HG3 LYS 61 HG3 LYS 61 -2.698 14.628 13.087 484 HD2 LYS 61 HD2 LYS 61 -0.845 16.948 12.508 485 HD3 LYS 61 HD3 LYS 61 -0.423 15.265 12.291 486 HE2 LYS 61 HE2 LYS 61 -2.660 16.747 10.800 487 HE3 LYS 61 HE3 LYS 61 -1.086 16.326 10.122 488 HZ1 LYS 61 HZ1 LYS 61 -1.663 13.974 10.335 489 HZ2 LYS 61 HZ2 LYS 61 -3.125 14.337 10.969 490 HZ3 LYS 61 HZ3 LYS 61 -2.771 14.746 9.441 491 H ILE 62 H ILE 62 -1.583 19.778 14.582 492 HA ILE 62 HA ILE 62 0.188 18.800 16.511 493 HB ILE 62 HB ILE 62 -0.269 21.187 15.159 494 HG12 ILE 62 HG12 ILE 62 1.873 21.920 16.536 495 HG13 ILE 62 HG13 ILE 62 1.807 20.239 17.089 496 HG21 ILE 62 HG21 ILE 62 -1.712 22.127 16.772 497 HG22 ILE 62 HG22 ILE 62 -0.488 21.876 18.069 498 HG23 ILE 62 HG23 ILE 62 -0.181 22.994 16.752 499 HD11 ILE 62 HD11 ILE 62 2.094 21.350 14.286 500 HD12 ILE 62 HD12 ILE 62 3.084 20.112 15.086 501 HD13 ILE 62 HD13 ILE 62 1.434 19.727 14.514 502 H VAL 63 H VAL 63 -3.095 20.157 17.012 503 HA VAL 63 HA VAL 63 -2.882 20.050 19.924 504 HB VAL 63 HB VAL 63 -5.525 19.661 19.548 505 HG11 VAL 63 HG11 VAL 63 -4.345 22.403 19.209 506 HG12 VAL 63 HG12 VAL 63 -5.797 21.906 20.067 507 HG13 VAL 63 HG13 VAL 63 -4.207 21.503 20.742 508 HG21 VAL 63 HG21 VAL 63 -5.461 19.615 17.106 509 HG22 VAL 63 HG22 VAL 63 -6.356 21.017 17.716 510 HG23 VAL 63 HG23 VAL 63 -4.707 21.224 17.095 511 H ASP 64 H ASP 64 -4.021 17.873 17.406 512 HA ASP 64 HA ASP 64 -5.189 16.080 19.146 513 HB2 ASP 64 HB2 ASP 64 -4.244 15.504 16.306 514 HB3 ASP 64 HB3 ASP 64 -5.365 14.494 17.198 515 H LEU 65 H LEU 65 -1.883 16.231 18.253 516 HA LEU 65 HA LEU 65 -1.369 13.729 19.845 517 HB2 LEU 65 HB2 LEU 65 0.195 14.935 17.569 518 HB3 LEU 65 HB3 LEU 65 1.001 14.010 18.841 519 HG LEU 65 HG LEU 65 -0.683 12.109 18.314 520 HD11 LEU 65 HD11 LEU 65 -1.433 12.087 15.943 521 HD12 LEU 65 HD12 LEU 65 -2.222 13.362 16.877 522 HD13 LEU 65 HD13 LEU 65 -0.897 13.779 15.774 523 HD21 LEU 65 HD21 LEU 65 1.561 12.924 16.460 524 HD22 LEU 65 HD22 LEU 65 1.631 11.880 17.895 525 HD23 LEU 65 HD23 LEU 65 0.776 11.325 16.460 526 H LEU 66 H LEU 66 -0.110 17.122 19.323 527 HA LEU 66 HA LEU 66 1.669 16.828 21.544 528 HB2 LEU 66 HB2 LEU 66 1.650 18.353 19.335 529 HB3 LEU 66 HB3 LEU 66 0.922 19.513 20.435 530 HG LEU 66 HG LEU 66 2.929 19.410 21.857 531 HD11 LEU 66 HD11 LEU 66 4.182 17.770 19.620 532 HD12 LEU 66 HD12 LEU 66 4.972 18.364 21.091 533 HD13 LEU 66 HD13 LEU 66 3.741 17.105 21.203 534 HD21 LEU 66 HD21 LEU 66 2.793 21.131 20.171 535 HD22 LEU 66 HD22 LEU 66 4.436 20.476 20.076 536 HD23 LEU 66 HD23 LEU 66 3.249 19.994 18.875 537 H ALA 67 H ALA 67 -1.202 19.148 21.313 538 HA ALA 67 HA ALA 67 -1.370 19.500 24.123 539 HB1 ALA 67 HB1 ALA 67 -2.584 20.840 22.424 540 HB2 ALA 67 HB2 ALA 67 -3.618 19.457 22.057 541 HB3 ALA 67 HB3 ALA 67 -3.686 20.212 23.663 542 H SER 68 H SER 68 -2.654 16.924 22.160 543 HA SER 68 HA SER 68 -4.463 15.788 24.023 544 HB2 SER 68 HB2 SER 68 -4.540 15.485 21.587 545 HB3 SER 68 HB3 SER 68 -3.028 14.562 21.653 546 HG SER 68 HG SER 68 -4.794 13.201 21.548 547 H ARG 69 H ARG 69 -1.040 15.019 23.409 548 HA ARG 69 HA ARG 69 -1.092 12.797 25.382 549 HB2 ARG 69 HB2 ARG 69 -0.348 12.501 22.951 550 HB3 ARG 69 HB3 ARG 69 1.071 13.455 23.354 551 HG2 ARG 69 HG2 ARG 69 1.439 11.030 23.296 552 HG3 ARG 69 HG3 ARG 69 1.874 11.716 24.851 553 HD2 ARG 69 HD2 ARG 69 -0.898 10.550 24.499 554 HD3 ARG 69 HD3 ARG 69 0.472 9.443 24.576 555 HE ARG 69 HE ARG 69 1.125 10.536 26.735 556 HH11 ARG 69 HH11 ARG 69 -2.288 10.223 25.894 557 HH12 ARG 69 HH12 ARG 69 -2.751 10.202 27.574 558 HH21 ARG 69 HH21 ARG 69 0.417 10.480 28.807 559 HH22 ARG 69 HH22 ARG 69 -1.286 10.331 29.147 560 H ASN 70 H ASN 70 -1.238 15.477 26.152 561 HA ASN 70 HA ASN 70 -0.549 16.953 27.568 562 HB2 ASN 70 HB2 ASN 70 0.866 14.604 28.860 563 HB3 ASN 70 HB3 ASN 70 0.554 16.139 29.662 564 HD21 ASN 70 HD21 ASN 70 -2.216 13.584 30.285 565 HD22 ASN 70 HD22 ASN 70 -0.478 13.331 30.199 566 H LYS 71 H LYS 71 1.018 17.040 25.238 567 HA LYS 71 HA LYS 71 3.286 18.602 26.293 568 HB2 LYS 71 HB2 LYS 71 2.993 17.428 23.510 569 HB3 LYS 71 HB3 LYS 71 4.340 18.416 24.059 570 HG2 LYS 71 HG2 LYS 71 3.603 15.653 25.104 571 HG3 LYS 71 HG3 LYS 71 4.902 16.046 23.974 572 HD2 LYS 71 HD2 LYS 71 6.068 17.364 25.698 573 HD3 LYS 71 HD3 LYS 71 4.774 17.011 26.869 574 HE2 LYS 71 HE2 LYS 71 5.228 14.588 26.655 575 HE3 LYS 71 HE3 LYS 71 6.512 14.916 25.484 576 HZ1 LYS 71 HZ1 LYS 71 7.703 16.125 27.230 577 HZ2 LYS 71 HZ2 LYS 71 6.513 15.828 28.312 578 HZ3 LYS 71 HZ3 LYS 71 7.401 14.602 27.714 579 H TRP 72 H TRP 72 0.506 19.314 26.197 580 HA TRP 72 HA TRP 72 -0.181 21.348 24.422 581 HB2 TRP 72 HB2 TRP 72 -1.056 22.287 26.855 582 HB3 TRP 72 HB3 TRP 72 -1.869 21.136 25.829 583 HD1 TRP 72 HD1 TRP 72 -2.913 19.330 27.075 584 HE1 TRP 72 HE1 TRP 72 -2.514 18.000 29.218 585 HE3 TRP 72 HE3 TRP 72 1.558 21.381 28.579 586 HZ2 TRP 72 HZ2 TRP 72 -0.583 17.830 31.308 587 HZ3 TRP 72 HZ3 TRP 72 2.681 20.549 30.611 588 HH2 TRP 72 HH2 TRP 72 1.628 18.780 31.995 589 H ASP 73 H ASP 73 2.356 21.462 26.768 590 HA ASP 73 HA ASP 73 2.863 24.251 26.961 591 HB2 ASP 73 HB2 ASP 73 4.480 21.696 27.073 592 HB3 ASP 73 HB3 ASP 73 5.293 23.261 27.220 593 H ASP 74 H ASP 74 3.518 21.994 24.275 594 HA ASP 74 HA ASP 74 5.137 24.002 22.895 595 HB2 ASP 74 HB2 ASP 74 4.426 21.159 22.256 596 HB3 ASP 74 HB3 ASP 74 5.407 22.200 21.208 597 H LEU 75 H LEU 75 1.739 23.337 22.950 598 HA LEU 75 HA LEU 75 1.075 24.292 20.282 599 HB2 LEU 75 HB2 LEU 75 -0.331 23.901 22.893 600 HB3 LEU 75 HB3 LEU 75 -0.966 25.105 21.776 601 HG LEU 75 HG LEU 75 -1.997 22.822 21.794 602 HD11 LEU 75 HD11 LEU 75 -2.638 24.309 20.174 603 HD12 LEU 75 HD12 LEU 75 -1.121 24.167 19.254 604 HD13 LEU 75 HD13 LEU 75 -2.267 22.818 19.285 605 HD21 LEU 75 HD21 LEU 75 0.014 21.434 21.794 606 HD22 LEU 75 HD22 LEU 75 -1.052 21.064 20.426 607 HD23 LEU 75 HD23 LEU 75 0.422 22.019 20.167 608 H ASN 76 H ASN 76 1.984 25.862 23.270 609 HA ASN 76 HA ASN 76 1.649 28.597 22.660 610 HB2 ASN 76 HB2 ASN 76 2.611 28.539 24.718 611 HB3 ASN 76 HB3 ASN 76 3.111 26.886 24.459 612 HD21 ASN 76 HD21 ASN 76 6.489 27.707 24.439 613 HD22 ASN 76 HD22 ASN 76 5.236 26.483 24.659 614 H GLU 77 H GLU 77 4.258 26.434 21.661 615 HA GLU 77 HA GLU 77 5.695 28.386 20.127 616 HB2 GLU 77 HB2 GLU 77 6.603 26.185 21.089 617 HB3 GLU 77 HB3 GLU 77 5.811 25.389 19.731 618 HG2 GLU 77 HG2 GLU 77 8.082 25.689 19.112 619 HG3 GLU 77 HG3 GLU 77 7.126 26.801 18.145 620 H GLN 78 H GLN 78 3.199 25.997 19.166 621 HA GLN 78 HA GLN 78 3.361 25.980 16.424 622 HB2 GLN 78 HB2 GLN 78 1.702 24.710 17.748 623 HB3 GLN 78 HB3 GLN 78 0.848 26.210 18.078 624 HG2 GLN 78 HG2 GLN 78 0.809 26.265 15.324 625 HG3 GLN 78 HG3 GLN 78 0.870 24.548 15.601 626 HE21 GLN 78 HE21 GLN 78 -2.688 25.162 15.515 627 HE22 GLN 78 HE22 GLN 78 -1.368 24.408 14.641 628 H LEU 79 H LEU 79 1.728 28.422 18.322 629 HA LEU 79 HA LEU 79 0.699 30.032 16.198 630 HB2 LEU 79 HB2 LEU 79 1.397 30.786 19.062 631 HB3 LEU 79 HB3 LEU 79 0.221 31.599 18.018 632 HG LEU 79 HG LEU 79 -0.004 28.803 19.230 633 HD11 LEU 79 HD11 LEU 79 -1.453 31.428 19.617 634 HD12 LEU 79 HD12 LEU 79 -1.985 29.913 20.307 635 HD13 LEU 79 HD13 LEU 79 -0.413 30.571 20.786 636 HD21 LEU 79 HD21 LEU 79 -2.273 28.676 18.196 637 HD22 LEU 79 HD22 LEU 79 -1.896 30.163 17.259 638 HD23 LEU 79 HD23 LEU 79 -0.993 28.670 17.002 639 H THR 80 H THR 80 3.839 29.954 17.604 640 HA THR 80 HA THR 80 4.729 32.613 16.617 641 HB THR 80 HB THR 80 5.839 30.375 18.291 642 HG1 THR 80 HG1 THR 80 4.788 31.891 19.391 643 HG21 THR 80 HG21 THR 80 7.384 32.630 16.988 644 HG22 THR 80 HG22 THR 80 7.949 31.725 18.420 645 HG23 THR 80 HG23 THR 80 7.690 30.861 16.884 646 H LEU 81 H LEU 81 5.089 29.119 15.867 647 HA LEU 81 HA LEU 81 7.335 28.779 14.440 648 HB2 LEU 81 HB2 LEU 81 4.604 27.763 13.681 649 HB3 LEU 81 HB3 LEU 81 6.104 27.167 12.975 650 HG LEU 81 HG LEU 81 5.342 26.958 15.889 651 HD11 LEU 81 HD11 LEU 81 5.520 24.902 13.679 652 HD12 LEU 81 HD12 LEU 81 5.068 24.607 15.383 653 HD13 LEU 81 HD13 LEU 81 4.033 25.602 14.357 654 HD21 LEU 81 HD21 LEU 81 7.740 27.117 15.785 655 HD22 LEU 81 HD22 LEU 81 7.305 25.418 16.014 656 HD23 LEU 81 HD23 LEU 81 7.799 25.985 14.401 657 H LEU 82 H LEU 82 4.514 29.410 12.371 658 HA LEU 82 HA LEU 82 6.322 29.778 10.182 659 HB2 LEU 82 HB2 LEU 82 3.438 30.728 10.144 660 HB3 LEU 82 HB3 LEU 82 4.461 30.318 8.782 661 HG LEU 82 HG LEU 82 3.256 28.404 10.817 662 HD11 LEU 82 HD11 LEU 82 2.896 28.706 7.812 663 HD12 LEU 82 HD12 LEU 82 2.102 27.500 8.852 664 HD13 LEU 82 HD13 LEU 82 1.743 29.219 9.061 665 HD21 LEU 82 HD21 LEU 82 5.288 27.842 8.632 666 HD22 LEU 82 HD22 LEU 82 5.387 27.449 10.363 667 HD23 LEU 82 HD23 LEU 82 4.246 26.588 9.347 668 H SER 83 H SER 83 5.086 32.064 12.465 669 HA SER 83 HA SER 83 5.423 34.488 10.962 670 HB2 SER 83 HB2 SER 83 3.995 34.117 13.003 671 HB3 SER 83 HB3 SER 83 5.478 34.103 13.973 672 HG SER 83 HG SER 83 5.908 36.226 13.182 673 H LYS 84 H LYS 84 7.719 32.503 12.751 674 HA LYS 84 HA LYS 84 9.600 34.191 13.756 675 HB2 LYS 84 HB2 LYS 84 10.095 31.612 12.217 676 HB3 LYS 84 HB3 LYS 84 11.322 32.421 13.190 677 HG2 LYS 84 HG2 LYS 84 10.069 32.076 15.231 678 HG3 LYS 84 HG3 LYS 84 8.687 31.417 14.340 679 HD2 LYS 84 HD2 LYS 84 10.116 29.590 13.453 680 HD3 LYS 84 HD3 LYS 84 11.491 30.189 14.381 681 HE2 LYS 84 HE2 LYS 84 8.832 29.363 15.635 682 HE3 LYS 84 HE3 LYS 84 10.133 28.211 15.334 683 HZ1 LYS 84 HZ1 LYS 84 11.571 29.428 16.811 684 HZ2 LYS 84 HZ2 LYS 84 10.481 30.614 17.062 685 HZ3 LYS 84 HZ3 LYS 84 10.192 29.097 17.613 686 H LYS 85 H LYS 85 10.005 32.977 10.413 687 HA LYS 85 HA LYS 85 11.916 35.143 9.793 688 HB2 LYS 85 HB2 LYS 85 12.330 32.769 9.149 689 HB3 LYS 85 HB3 LYS 85 10.898 32.798 8.128 690 HG2 LYS 85 HG2 LYS 85 12.905 32.990 6.801 691 HG3 LYS 85 HG3 LYS 85 11.954 34.463 6.646 692 HD2 LYS 85 HD2 LYS 85 13.479 35.631 8.220 693 HD3 LYS 85 HD3 LYS 85 14.394 34.124 8.459 694 HE2 LYS 85 HE2 LYS 85 14.941 34.092 6.030 695 HE3 LYS 85 HE3 LYS 85 14.029 35.589 5.799 696 HZ1 LYS 85 HZ1 LYS 85 15.601 36.698 7.284 697 HZ2 LYS 85 HZ2 LYS 85 16.443 35.315 7.504 698 HZ3 LYS 85 HZ3 LYS 85 16.399 36.019 6.040 699 H HIS 86 H HIS 86 8.546 34.459 9.187 700 HA HIS 86 HA HIS 86 8.266 36.027 6.795 701 HB2 HIS 86 HB2 HIS 86 6.832 34.099 7.533 702 HB3 HIS 86 HB3 HIS 86 6.156 35.118 8.797 703 HD2 HIS 86 HD2 HIS 86 6.547 36.891 5.427 704 HE1 HIS 86 HE1 HIS 86 2.534 35.457 5.508 705 HE2 HIS 86 HE2 HIS 86 4.197 36.928 4.259 706 H GLY 87 H GLY 87 7.811 36.837 10.226 707 HA2 GLY 87 HA2 GLY 87 7.705 38.868 11.292 708 HA3 GLY 87 HA3 GLY 87 8.178 39.643 9.779 709 H GLN 88 H GLN 88 5.385 38.021 9.028 710 HA GLN 88 HA GLN 88 3.752 40.354 8.896 711 HB2 GLN 88 HB2 GLN 88 3.725 38.555 7.233 712 HB3 GLN 88 HB3 GLN 88 3.209 37.396 8.452 713 HG2 GLN 88 HG2 GLN 88 1.378 37.947 6.987 714 HG3 GLN 88 HG3 GLN 88 1.010 38.497 8.610 715 HE21 GLN 88 HE21 GLN 88 0.507 41.139 5.736 716 HE22 GLN 88 HE22 GLN 88 0.402 39.393 5.563 717 H LEU 89 H LEU 89 1.719 40.703 9.861 718 HA LEU 89 HA LEU 89 1.648 40.304 12.697 719 HB2 LEU 89 HB2 LEU 89 -0.674 41.310 12.517 720 HB3 LEU 89 HB3 LEU 89 0.715 42.286 12.054 721 HG LEU 89 HG LEU 89 0.160 42.040 9.682 722 HD11 LEU 89 HD11 LEU 89 -2.163 40.342 10.672 723 HD12 LEU 89 HD12 LEU 89 -2.058 41.040 9.039 724 HD13 LEU 89 HD13 LEU 89 -0.879 39.834 9.551 725 HD21 LEU 89 HD21 LEU 89 -0.856 43.841 11.037 726 HD22 LEU 89 HD22 LEU 89 -1.909 43.335 9.709 727 HD23 LEU 89 HD23 LEU 89 -2.257 42.804 11.372 728 H LYS 90 H LYS 90 0.028 39.433 13.968 729 HA LYS 90 HA LYS 90 0.062 36.666 13.556 730 HB2 LYS 90 HB2 LYS 90 -0.022 37.944 15.817 731 HB3 LYS 90 HB3 LYS 90 -1.771 38.021 15.586 732 HG2 LYS 90 HG2 LYS 90 -1.303 36.159 17.064 733 HG3 LYS 90 HG3 LYS 90 -1.854 35.523 15.537 734 HD2 LYS 90 HD2 LYS 90 -0.092 34.112 16.072 735 HD3 LYS 90 HD3 LYS 90 0.634 35.245 14.933 736 HE2 LYS 90 HE2 LYS 90 1.422 36.547 17.045 737 HE3 LYS 90 HE3 LYS 90 1.057 35.024 17.897 738 HZ1 LYS 90 HZ1 LYS 90 3.368 35.028 17.172 739 HZ2 LYS 90 HZ2 LYS 90 2.563 33.902 16.284 740 HZ3 LYS 90 HZ3 LYS 90 2.973 35.358 15.623 741 H LEU 91 H LEU 91 -2.665 38.777 12.766 742 HA LEU 91 HA LEU 91 -4.670 36.888 12.528 743 HB2 LEU 91 HB2 LEU 91 -4.954 39.314 12.302 744 HB3 LEU 91 HB3 LEU 91 -4.130 39.271 10.739 745 HG LEU 91 HG LEU 91 -5.942 37.949 9.761 746 HD11 LEU 91 HD11 LEU 91 -7.258 38.182 12.504 747 HD12 LEU 91 HD12 LEU 91 -8.075 37.636 11.025 748 HD13 LEU 91 HD13 LEU 91 -6.763 36.674 11.697 749 HD21 LEU 91 HD21 LEU 91 -7.674 39.683 9.809 750 HD22 LEU 91 HD22 LEU 91 -6.949 40.393 11.271 751 HD23 LEU 91 HD23 LEU 91 -6.061 40.410 9.732 752 H SER 92 H SER 92 -1.867 37.186 10.433 753 HA SER 92 HA SER 92 -2.915 35.476 8.309 754 HB2 SER 92 HB2 SER 92 -1.072 37.148 8.039 755 HB3 SER 92 HB3 SER 92 -0.056 36.193 9.120 756 HG SER 92 HG SER 92 -1.077 35.426 6.578 757 H ILE 93 H ILE 93 -1.150 34.761 11.320 758 HA ILE 93 HA ILE 93 -1.339 31.846 10.717 759 HB ILE 93 HB ILE 93 0.869 32.888 11.233 760 HG12 ILE 93 HG12 ILE 93 -0.087 30.529 12.916 761 HG13 ILE 93 HG13 ILE 93 0.461 30.477 11.231 762 HG21 ILE 93 HG21 ILE 93 0.020 34.285 13.098 763 HG22 ILE 93 HG22 ILE 93 -0.156 32.807 14.088 764 HG23 ILE 93 HG23 ILE 93 1.447 33.333 13.519 765 HD11 ILE 93 HD11 ILE 93 2.649 31.493 12.117 766 HD12 ILE 93 HD12 ILE 93 2.055 31.058 13.732 767 HD13 ILE 93 HD13 ILE 93 2.303 29.782 12.531 768 H GLN 94 H GLN 94 -3.160 34.228 12.324 769 HA GLN 94 HA GLN 94 -4.196 32.781 14.515 770 HB2 GLN 94 HB2 GLN 94 -5.327 34.863 12.673 771 HB3 GLN 94 HB3 GLN 94 -6.416 34.004 13.773 772 HG2 GLN 94 HG2 GLN 94 -4.995 34.624 15.712 773 HG3 GLN 94 HG3 GLN 94 -3.957 35.566 14.649 774 HE21 GLN 94 HE21 GLN 94 -7.755 37.091 15.198 775 HE22 GLN 94 HE22 GLN 94 -7.597 35.353 14.998 776 H TYR 95 H TYR 95 -4.711 32.314 11.085 777 HA TYR 95 HA TYR 95 -6.739 30.389 10.982 778 HB2 TYR 95 HB2 TYR 95 -5.354 31.310 9.102 779 HB3 TYR 95 HB3 TYR 95 -4.013 30.305 9.614 780 HD1 TYR 95 HD1 TYR 95 -7.310 30.372 7.968 781 HD2 TYR 95 HD2 TYR 95 -4.054 27.844 9.253 782 HE1 TYR 95 HE1 TYR 95 -8.157 28.537 6.515 783 HE2 TYR 95 HE2 TYR 95 -4.901 26.013 7.789 784 HH TYR 95 HH TYR 95 -7.838 26.416 5.786 785 H MET 96 H MET 96 -3.502 29.990 12.403 786 HA MET 96 HA MET 96 -3.852 27.138 13.070 787 HB2 MET 96 HB2 MET 96 -1.683 29.063 13.977 788 HB3 MET 96 HB3 MET 96 -1.645 27.314 14.028 789 HG2 MET 96 HG2 MET 96 -1.602 29.036 11.527 790 HG3 MET 96 HG3 MET 96 -0.273 28.081 12.176 791 HE1 MET 96 HE1 MET 96 -0.146 27.392 9.484 792 HE2 MET 96 HE2 MET 96 -1.461 26.519 8.667 793 HE3 MET 96 HE3 MET 96 -1.681 28.217 9.147 794 H ILE 97 H ILE 97 -4.176 30.327 14.664 795 HA ILE 97 HA ILE 97 -4.195 29.265 17.316 796 HB ILE 97 HB ILE 97 -4.206 31.825 16.457 797 HG12 ILE 97 HG12 ILE 97 -5.171 30.757 19.144 798 HG13 ILE 97 HG13 ILE 97 -3.494 30.941 18.629 799 HG21 ILE 97 HG21 ILE 97 -7.016 31.472 17.635 800 HG22 ILE 97 HG22 ILE 97 -6.281 32.980 17.042 801 HG23 ILE 97 HG23 ILE 97 -6.740 31.712 15.908 802 HD11 ILE 97 HD11 ILE 97 -3.759 33.368 18.480 803 HD12 ILE 97 HD12 ILE 97 -5.411 33.207 19.139 804 HD13 ILE 97 HD13 ILE 97 -4.033 32.669 20.113 805 H GLN 98 H GLN 98 -6.648 29.152 14.856 806 HA GLN 98 HA GLN 98 -8.893 28.439 16.413 807 HB2 GLN 98 HB2 GLN 98 -7.992 27.287 13.742 808 HB3 GLN 98 HB3 GLN 98 -9.619 27.178 14.429 809 HG2 GLN 98 HG2 GLN 98 -9.726 29.707 14.410 810 HG3 GLN 98 HG3 GLN 98 -8.185 29.722 13.552 811 HE21 GLN 98 HE21 GLN 98 -10.657 30.029 10.878 812 HE22 GLN 98 HE22 GLN 98 -9.923 31.018 12.136 813 H LYS 99 H LYS 99 -5.912 26.682 16.045 814 HA LYS 99 HA LYS 99 -6.999 24.167 17.177 815 HB2 LYS 99 HB2 LYS 99 -4.187 24.983 16.336 816 HB3 LYS 99 HB3 LYS 99 -4.582 23.409 16.954 817 HG2 LYS 99 HG2 LYS 99 -5.880 24.636 14.454 818 HG3 LYS 99 HG3 LYS 99 -4.477 23.584 14.414 819 HD2 LYS 99 HD2 LYS 99 -5.667 21.697 15.088 820 HD3 LYS 99 HD3 LYS 99 -6.959 22.606 15.857 821 HE2 LYS 99 HE2 LYS 99 -7.856 23.314 13.704 822 HE3 LYS 99 HE3 LYS 99 -6.562 22.478 12.841 823 HZ1 LYS 99 HZ1 LYS 99 -8.521 21.152 14.649 824 HZ2 LYS 99 HZ2 LYS 99 -8.620 21.133 13.013 825 HZ3 LYS 99 HZ3 LYS 99 -7.371 20.377 13.759 826 H VAL 100 H VAL 100 -4.752 26.822 18.238 827 HA VAL 100 HA VAL 100 -4.622 25.712 20.861 828 HB VAL 100 HB VAL 100 -4.106 28.317 19.522 829 HG11 VAL 100 HG11 VAL 100 -3.768 29.714 21.472 830 HG12 VAL 100 HG12 VAL 100 -5.445 29.270 21.320 831 HG13 VAL 100 HG13 VAL 100 -4.431 28.447 22.532 832 HG21 VAL 100 HG21 VAL 100 -2.726 26.517 21.560 833 HG22 VAL 100 HG22 VAL 100 -2.401 26.601 19.829 834 HG23 VAL 100 HG23 VAL 100 -1.940 27.929 20.897 835 H MET 101 H MET 101 -6.977 27.869 19.406 836 HA MET 101 HA MET 101 -8.777 27.728 21.614 837 HB2 MET 101 HB2 MET 101 -9.223 28.632 18.751 838 HB3 MET 101 HB3 MET 101 -10.362 28.846 20.088 839 HG2 MET 101 HG2 MET 101 -8.270 29.988 21.263 840 HG3 MET 101 HG3 MET 101 -7.719 30.186 19.606 841 HE1 MET 101 HE1 MET 101 -7.627 32.773 19.585 842 HE2 MET 101 HE2 MET 101 -8.850 33.805 20.353 843 HE3 MET 101 HE3 MET 101 -7.901 32.670 21.337 844 H GLU 102 H GLU 102 -7.840 25.193 19.963 845 HA GLU 102 HA GLU 102 -10.476 23.891 20.014 846 HB2 GLU 102 HB2 GLU 102 -9.317 23.590 17.881 847 HB3 GLU 102 HB3 GLU 102 -7.979 22.771 18.675 848 HG2 GLU 102 HG2 GLU 102 -9.192 20.858 19.087 849 HG3 GLU 102 HG3 GLU 102 -10.728 21.712 19.223 850 H TYR 103 H TYR 103 -7.521 22.022 20.674 851 HA TYR 103 HA TYR 103 -8.996 20.935 22.964 852 HB2 TYR 103 HB2 TYR 103 -6.264 20.270 21.807 853 HB3 TYR 103 HB3 TYR 103 -6.894 19.538 23.264 854 HD1 TYR 103 HD1 TYR 103 -6.038 17.644 21.593 855 HD2 TYR 103 HD2 TYR 103 -9.793 19.772 21.260 856 HE1 TYR 103 HE1 TYR 103 -7.060 15.701 20.419 857 HE2 TYR 103 HE2 TYR 103 -10.776 17.848 20.070 858 HH TYR 103 HH TYR 103 -10.447 15.750 19.273 859 H LEU 104 H LEU 104 -6.199 22.925 22.450 860 HA LEU 104 HA LEU 104 -5.180 23.009 25.108 861 HB2 LEU 104 HB2 LEU 104 -3.969 23.177 23.005 862 HB3 LEU 104 HB3 LEU 104 -4.855 24.610 22.565 863 HG LEU 104 HG LEU 104 -2.516 24.965 23.136 864 HD11 LEU 104 HD11 LEU 104 -3.837 26.484 25.327 865 HD12 LEU 104 HD12 LEU 104 -2.943 27.051 23.915 866 HD13 LEU 104 HD13 LEU 104 -4.629 26.588 23.738 867 HD21 LEU 104 HD21 LEU 104 -2.287 23.279 24.893 868 HD22 LEU 104 HD22 LEU 104 -1.701 24.856 25.423 869 HD23 LEU 104 HD23 LEU 104 -3.279 24.259 26.000 870 H LYS 105 H LYS 105 -7.858 24.609 23.670 871 HA LYS 105 HA LYS 105 -8.298 26.370 26.011 872 HB2 LYS 105 HB2 LYS 105 -9.399 26.226 23.234 873 HB3 LYS 105 HB3 LYS 105 -10.492 26.700 24.531 874 HG2 LYS 105 HG2 LYS 105 -8.577 28.345 25.280 875 HG3 LYS 105 HG3 LYS 105 -7.965 28.106 23.627 876 HD2 LYS 105 HD2 LYS 105 -10.170 28.828 22.746 877 HD3 LYS 105 HD3 LYS 105 -10.798 28.882 24.411 878 HE2 LYS 105 HE2 LYS 105 -9.253 30.707 24.982 879 HE3 LYS 105 HE3 LYS 105 -8.569 30.690 23.355 880 HZ1 LYS 105 HZ1 LYS 105 -10.284 32.419 23.657 881 HZ2 LYS 105 HZ2 LYS 105 -10.743 31.377 22.495 882 HZ3 LYS 105 HZ3 LYS 105 -11.413 31.301 23.981 883 H SER 106 H SER 106 -9.980 23.847 24.205 884 HA SER 106 HA SER 106 -12.185 23.682 25.953 885 HB2 SER 106 HB2 SER 106 -11.287 21.548 23.991 886 HB3 SER 106 HB3 SER 106 -12.921 21.802 24.628 887 HG SER 106 HG SER 106 -11.415 23.368 22.835 888 H SER 107 H SER 107 -9.138 21.979 26.351 889 HA SER 107 HA SER 107 -10.084 19.636 27.592 890 HB2 SER 107 HB2 SER 107 -7.793 19.862 26.841 891 HB3 SER 107 HB3 SER 107 -7.473 21.090 28.088 892 HG SER 107 HG SER 107 -6.922 18.776 28.538 893 H LYS 108 H LYS 108 -11.103 19.251 29.390 894 HA LYS 108 HA LYS 108 -11.666 21.241 31.424 895 HB2 LYS 108 HB2 LYS 108 -12.249 18.244 31.295 896 HB3 LYS 108 HB3 LYS 108 -12.858 19.338 32.540 897 HG2 LYS 108 HG2 LYS 108 -14.011 20.702 30.814 898 HG3 LYS 108 HG3 LYS 108 -13.453 19.575 29.561 899 HD2 LYS 108 HD2 LYS 108 -14.696 17.725 30.654 900 HD3 LYS 108 HD3 LYS 108 -15.197 18.821 31.948 901 HE2 LYS 108 HE2 LYS 108 -17.041 18.596 30.447 902 HE3 LYS 108 HE3 LYS 108 -16.410 20.232 30.297 903 HZ1 LYS 108 HZ1 LYS 108 -15.847 18.003 28.411 904 HZ2 LYS 108 HZ2 LYS 108 -16.893 19.216 28.139 905 HZ3 LYS 108 HZ3 LYS 108 -15.301 19.535 28.235 906 H SER 109 H SER 109 -8.957 19.218 31.106 907 HA SER 109 HA SER 109 -8.287 19.554 33.954 908 HB2 SER 109 HB2 SER 109 -7.673 17.085 32.289 909 HB3 SER 109 HB3 SER 109 -7.246 17.337 33.990 910 HG SER 109 HG SER 109 -9.147 16.109 33.764 911 H LEU 110 H LEU 110 -7.528 21.204 31.687 912 HA LEU 110 HA LEU 110 -4.690 20.859 31.308 913 HB2 LEU 110 HB2 LEU 110 -6.300 22.030 29.703 914 HB3 LEU 110 HB3 LEU 110 -6.387 23.350 30.865 915 HG LEU 110 HG LEU 110 -3.886 23.665 30.611 916 HD11 LEU 110 HD11 LEU 110 -2.920 22.613 28.481 917 HD12 LEU 110 HD12 LEU 110 -3.105 21.518 29.852 918 HD13 LEU 110 HD13 LEU 110 -4.279 21.490 28.510 919 HD21 LEU 110 HD21 LEU 110 -5.559 24.954 29.299 920 HD22 LEU 110 HD22 LEU 110 -4.023 24.735 28.434 921 HD23 LEU 110 HD23 LEU 110 -5.443 23.748 28.004 922 H ASP 111 H ASP 111 -3.044 21.706 32.504 923 HA ASP 111 HA ASP 111 -3.535 22.929 35.061 924 HB2 ASP 111 HB2 ASP 111 -0.947 22.557 33.518 925 HB3 ASP 111 HB3 ASP 111 -1.067 23.225 35.146 926 H LEU 112 H LEU 112 -3.321 24.953 35.726 927 HA LEU 112 HA LEU 112 -3.832 27.172 34.056 928 HB2 LEU 112 HB2 LEU 112 -2.551 27.009 36.815 929 HB3 LEU 112 HB3 LEU 112 -2.976 28.532 36.062 930 HG LEU 112 HG LEU 112 -5.037 26.333 36.503 931 HD11 LEU 112 HD11 LEU 112 -5.704 27.554 38.538 932 HD12 LEU 112 HD12 LEU 112 -4.037 26.953 38.668 933 HD13 LEU 112 HD13 LEU 112 -4.336 28.673 38.326 934 HD21 LEU 112 HD21 LEU 112 -5.696 28.074 34.886 935 HD22 LEU 112 HD22 LEU 112 -6.631 28.236 36.377 936 HD23 LEU 112 HD23 LEU 112 -5.276 29.344 36.058 937 H ASN 113 H ASN 113 -0.713 26.160 35.440 938 HA ASN 113 HA ASN 113 0.734 28.314 34.396 939 HB2 ASN 113 HB2 ASN 113 1.832 25.495 34.832 940 HB3 ASN 113 HB3 ASN 113 2.739 27.006 34.903 941 HD21 ASN 113 HD21 ASN 113 1.593 27.780 38.215 942 HD22 ASN 113 HD22 ASN 113 2.307 28.464 36.760 943 H THR 114 H THR 114 -0.190 25.271 32.816 944 HA THR 114 HA THR 114 1.421 25.593 30.421 945 HB THR 114 HB THR 114 -0.825 23.811 31.368 946 HG1 THR 114 HG1 THR 114 1.773 23.312 30.362 947 HG21 THR 114 HG21 THR 114 0.387 23.702 28.595 948 HG22 THR 114 HG22 THR 114 -0.728 22.525 29.361 949 HG23 THR 114 HG23 THR 114 -1.292 24.156 29.005 950 H ARG 115 H ARG 115 -2.064 26.019 31.163 951 HA ARG 115 HA ARG 115 -3.028 27.220 28.790 952 HB2 ARG 115 HB2 ARG 115 -4.357 26.568 30.830 953 HB3 ARG 115 HB3 ARG 115 -3.582 27.833 31.734 954 HG2 ARG 115 HG2 ARG 115 -5.471 28.942 31.296 955 HG3 ARG 115 HG3 ARG 115 -4.626 29.462 29.843 956 HD2 ARG 115 HD2 ARG 115 -6.307 26.950 30.015 957 HD3 ARG 115 HD3 ARG 115 -7.018 28.523 29.656 958 HE ARG 115 HE ARG 115 -5.515 26.843 27.794 959 HH11 ARG 115 HH11 ARG 115 -5.654 27.376 25.713 960 HH12 ARG 115 HH12 ARG 115 -5.827 29.060 25.232 961 HH21 ARG 115 HH21 ARG 115 -6.487 30.162 28.394 962 HH22 ARG 115 HH22 ARG 115 -6.435 30.557 26.707 963 H ILE 116 H ILE 116 -1.756 28.842 31.611 964 HA ILE 116 HA ILE 116 -1.595 31.447 30.622 965 HB ILE 116 HB ILE 116 -0.095 29.975 32.759 966 HG12 ILE 116 HG12 ILE 116 -1.841 32.484 32.802 967 HG13 ILE 116 HG13 ILE 116 -2.498 30.858 32.900 968 HG21 ILE 116 HG21 ILE 116 1.660 31.346 31.954 969 HG22 ILE 116 HG22 ILE 116 0.624 32.801 31.908 970 HG23 ILE 116 HG23 ILE 116 1.076 32.051 33.459 971 HD11 ILE 116 HD11 ILE 116 -2.353 31.716 35.139 972 HD12 ILE 116 HD12 ILE 116 -1.140 30.432 34.971 973 HD13 ILE 116 HD13 ILE 116 -0.644 32.143 34.951 974 H SER 117 H SER 117 0.839 28.906 30.312 975 HA SER 117 HA SER 117 2.962 30.537 29.345 976 HB2 SER 117 HB2 SER 117 2.466 27.578 28.866 977 HB3 SER 117 HB3 SER 117 3.954 28.430 28.434 978 HG SER 117 HG SER 117 2.824 28.113 31.028 979 H VAL 118 H VAL 118 0.179 29.334 27.680 980 HA VAL 118 HA VAL 118 1.180 30.215 25.043 981 HB VAL 118 HB VAL 118 0.361 28.055 25.019 982 HG11 VAL 118 HG11 VAL 118 -1.033 28.098 27.087 983 HG12 VAL 118 HG12 VAL 118 -2.346 28.828 26.134 984 HG13 VAL 118 HG13 VAL 118 -1.690 27.217 25.752 985 HG21 VAL 118 HG21 VAL 118 -1.168 28.182 23.225 986 HG22 VAL 118 HG22 VAL 118 -1.923 29.670 23.852 987 HG23 VAL 118 HG23 VAL 118 -0.294 29.717 23.171 988 H ILE 119 H ILE 119 -1.763 30.837 27.170 989 HA ILE 119 HA ILE 119 -2.684 32.914 25.523 990 HB ILE 119 HB ILE 119 -3.670 31.546 27.574 991 HG12 ILE 119 HG12 ILE 119 -5.417 33.151 27.975 992 HG13 ILE 119 HG13 ILE 119 -4.434 34.483 27.342 993 HG21 ILE 119 HG21 ILE 119 -3.020 33.964 29.225 994 HG22 ILE 119 HG22 ILE 119 -3.561 32.319 29.702 995 HG23 ILE 119 HG23 ILE 119 -1.924 32.591 29.094 996 HD11 ILE 119 HD11 ILE 119 -6.242 33.435 25.794 997 HD12 ILE 119 HD12 ILE 119 -4.637 33.729 25.115 998 HD13 ILE 119 HD13 ILE 119 -5.081 32.079 25.620 999 H GLU 120 H GLU 120 -0.182 33.059 28.038 1000 HA GLU 120 HA GLU 120 -0.072 35.931 27.976 1001 HB2 GLU 120 HB2 GLU 120 0.450 34.368 29.942 1002 HB3 GLU 120 HB3 GLU 120 1.987 34.050 29.145 1003 HG2 GLU 120 HG2 GLU 120 2.283 35.744 30.821 1004 HG3 GLU 120 HG3 GLU 120 2.503 36.488 29.222 1005 H THR 121 H THR 121 1.904 33.314 26.452 1006 HA THR 121 HA THR 121 3.692 35.174 25.165 1007 HB THR 121 HB THR 121 3.955 32.579 25.299 1008 HG1 THR 121 HG1 THR 121 5.447 33.932 24.408 1009 HG21 THR 121 HG21 THR 121 3.535 31.443 23.145 1010 HG22 THR 121 HG22 THR 121 2.016 31.885 23.907 1011 HG23 THR 121 HG23 THR 121 2.637 32.825 22.533 1012 H ILE 122 H ILE 122 0.520 33.822 24.180 1013 HA ILE 122 HA ILE 122 0.245 35.303 21.793 1014 HB ILE 122 HB ILE 122 -1.486 33.814 23.632 1015 HG12 ILE 122 HG12 ILE 122 -0.538 32.982 21.517 1016 HG13 ILE 122 HG13 ILE 122 -2.282 32.818 21.637 1017 HG21 ILE 122 HG21 ILE 122 -2.864 36.033 22.124 1018 HG22 ILE 122 HG22 ILE 122 -3.634 34.550 22.755 1019 HG23 ILE 122 HG23 ILE 122 -2.882 35.671 23.874 1020 HD11 ILE 122 HD11 ILE 122 -2.564 34.827 20.149 1021 HD12 ILE 122 HD12 ILE 122 -0.798 34.932 19.986 1022 HD13 ILE 122 HD13 ILE 122 -1.663 33.528 19.369 1023 H ARG 123 H ARG 123 -0.643 36.336 25.121 1024 HA ARG 123 HA ARG 123 -1.530 38.935 24.445 1025 HB2 ARG 123 HB2 ARG 123 -1.780 37.774 26.629 1026 HB3 ARG 123 HB3 ARG 123 -0.069 38.030 26.974 1027 HG2 ARG 123 HG2 ARG 123 -0.352 40.422 27.066 1028 HG3 ARG 123 HG3 ARG 123 -2.012 40.311 26.434 1029 HD2 ARG 123 HD2 ARG 123 -2.764 39.134 28.413 1030 HD3 ARG 123 HD3 ARG 123 -1.125 38.997 29.032 1031 HE ARG 123 HE ARG 123 -2.775 41.485 28.902 1032 HH11 ARG 123 HH11 ARG 123 0.205 39.990 30.186 1033 HH12 ARG 123 HH12 ARG 123 0.521 41.421 31.137 1034 HH21 ARG 123 HH21 ARG 123 -2.244 43.170 30.188 1035 HH22 ARG 123 HH22 ARG 123 -0.800 43.109 31.165 1036 H VAL 124 H VAL 124 1.792 37.943 25.309 1037 HA VAL 124 HA VAL 124 3.049 40.462 24.947 1038 HB VAL 124 HB VAL 124 4.118 37.623 24.775 1039 HG11 VAL 124 HG11 VAL 124 5.744 39.029 23.608 1040 HG12 VAL 124 HG12 VAL 124 5.704 40.222 24.927 1041 HG13 VAL 124 HG13 VAL 124 6.368 38.595 25.196 1042 HG21 VAL 124 HG21 VAL 124 4.371 39.693 27.002 1043 HG22 VAL 124 HG22 VAL 124 3.199 38.364 27.003 1044 HG23 VAL 124 HG23 VAL 124 4.912 37.995 27.028 1045 H VAL 125 H VAL 125 2.834 37.727 22.608 1046 HA VAL 125 HA VAL 125 4.314 39.198 20.613 1047 HB VAL 125 HB VAL 125 4.252 36.685 21.003 1048 HG11 VAL 125 HG11 VAL 125 2.646 35.350 19.795 1049 HG12 VAL 125 HG12 VAL 125 1.764 36.445 20.872 1050 HG13 VAL 125 HG13 VAL 125 1.839 36.821 19.160 1051 HG21 VAL 125 HG21 VAL 125 5.452 37.657 19.108 1052 HG22 VAL 125 HG22 VAL 125 4.709 36.113 18.660 1053 HG23 VAL 125 HG23 VAL 125 3.972 37.656 18.132 1054 H THR 126 H THR 126 0.816 38.837 21.182 1055 HA THR 126 HA THR 126 0.142 40.002 18.557 1056 HB THR 126 HB THR 126 -2.171 40.058 19.318 1057 HG1 THR 126 HG1 THR 126 -1.283 38.772 21.652 1058 HG21 THR 126 HG21 THR 126 -0.798 37.368 19.733 1059 HG22 THR 126 HG22 THR 126 -2.553 37.598 19.599 1060 HG23 THR 126 HG23 THR 126 -1.501 38.040 18.250 1061 H GLU 127 H GLU 127 0.247 41.308 21.964 1062 HA GLU 127 HA GLU 127 -1.041 43.730 21.225 1063 HB2 GLU 127 HB2 GLU 127 -0.489 44.571 23.337 1064 HB3 GLU 127 HB3 GLU 127 -0.749 42.847 23.550 1065 HG2 GLU 127 HG2 GLU 127 1.802 42.576 23.447 1066 HG3 GLU 127 HG3 GLU 127 1.917 44.334 23.472 1067 H ASN 128 H ASN 128 2.223 42.758 20.753 1068 HA ASN 128 HA ASN 128 3.248 45.418 20.049 1069 HB2 ASN 128 HB2 ASN 128 4.340 42.577 20.112 1070 HB3 ASN 128 HB3 ASN 128 5.257 43.899 19.388 1071 HD21 ASN 128 HD21 ASN 128 5.257 43.601 23.389 1072 HD22 ASN 128 HD22 ASN 128 4.461 42.382 22.399 1073 H LYS 129 H LYS 129 1.268 43.245 18.354 1074 HA LYS 129 HA LYS 129 2.312 44.172 15.714 1075 HB2 LYS 129 HB2 LYS 129 1.583 41.341 16.539 1076 HB3 LYS 129 HB3 LYS 129 1.851 41.815 14.869 1077 HG2 LYS 129 HG2 LYS 129 3.924 42.079 17.076 1078 HG3 LYS 129 HG3 LYS 129 3.811 40.711 15.982 1079 HD2 LYS 129 HD2 LYS 129 4.379 43.589 15.116 1080 HD3 LYS 129 HD3 LYS 129 5.587 42.337 15.386 1081 HE2 LYS 129 HE2 LYS 129 4.509 40.922 13.623 1082 HE3 LYS 129 HE3 LYS 129 3.387 42.253 13.261 1083 HZ1 LYS 129 HZ1 LYS 129 6.345 42.511 13.114 1084 HZ2 LYS 129 HZ2 LYS 129 5.432 42.146 11.825 1085 HZ3 LYS 129 HZ3 LYS 129 5.255 43.595 12.576 1086 H ILE 130 H ILE 130 -0.561 43.708 17.525 1087 HA ILE 130 HA ILE 130 -2.476 43.717 15.433 1088 HB ILE 130 HB ILE 130 -3.938 44.814 17.188 1089 HG12 ILE 130 HG12 ILE 130 -1.409 44.636 18.892 1090 HG13 ILE 130 HG13 ILE 130 -2.239 46.093 18.389 1091 HG21 ILE 130 HG21 ILE 130 -2.516 42.278 18.054 1092 HG22 ILE 130 HG22 ILE 130 -4.144 42.810 18.518 1093 HG23 ILE 130 HG23 ILE 130 -3.804 42.381 16.841 1094 HD11 ILE 130 HD11 ILE 130 -2.835 45.657 20.674 1095 HD12 ILE 130 HD12 ILE 130 -4.273 45.312 19.690 1096 HD13 ILE 130 HD13 ILE 130 -3.277 43.979 20.319 1097 H PHE 131 H PHE 131 -3.867 45.455 14.828 1098 HA PHE 131 HA PHE 131 -2.573 47.750 13.754 1099 HB2 PHE 131 HB2 PHE 131 -5.549 47.300 14.185 1100 HB3 PHE 131 HB3 PHE 131 -4.815 48.411 13.047 1101 HD1 PHE 131 HD1 PHE 131 -6.102 45.090 13.485 1102 HD2 PHE 131 HD2 PHE 131 -3.300 47.417 11.174 1103 HE1 PHE 131 HE1 PHE 131 -6.116 43.351 11.711 1104 HE2 PHE 131 HE2 PHE 131 -3.326 45.682 9.399 1105 HZ PHE 131 HZ PHE 131 -4.733 43.644 9.666 1106 H VAL 132 H VAL 132 -3.869 47.309 16.924 1107 HA VAL 132 HA VAL 132 -4.585 50.027 17.519 1108 HB VAL 132 HB VAL 132 -4.042 47.719 19.404 1109 HG11 VAL 132 HG11 VAL 132 -5.601 50.295 19.833 1110 HG12 VAL 132 HG12 VAL 132 -5.637 48.902 20.933 1111 HG13 VAL 132 HG13 VAL 132 -4.128 49.761 20.689 1112 HG21 VAL 132 HG21 VAL 132 -6.675 48.590 18.134 1113 HG22 VAL 132 HG22 VAL 132 -5.825 47.053 17.838 1114 HG23 VAL 132 HG23 VAL 132 -6.510 47.375 19.425 1115 H GLU 133 H GLU 133 -3.532 51.277 19.117 1116 HA GLU 133 HA GLU 133 -0.644 51.314 18.952 1117 HB2 GLU 133 HB2 GLU 133 -0.668 53.498 19.857 1118 HB3 GLU 133 HB3 GLU 133 -1.750 53.362 18.473 1119 HG2 GLU 133 HG2 GLU 133 -3.695 53.187 19.934 1120 HG3 GLU 133 HG3 GLU 133 -2.670 53.233 21.366 1121 H VAL 134 H VAL 134 -0.298 52.702 21.424 1122 HA VAL 134 HA VAL 134 0.791 52.369 23.283 1123 HB VAL 134 HB VAL 134 -0.059 51.261 25.168 1124 HG11 VAL 134 HG11 VAL 134 -2.222 52.322 25.359 1125 HG12 VAL 134 HG12 VAL 134 -1.123 53.367 24.438 1126 HG13 VAL 134 HG13 VAL 134 -2.375 52.429 23.595 1127 HG21 VAL 134 HG21 VAL 134 -0.830 49.095 24.114 1128 HG22 VAL 134 HG22 VAL 134 -1.945 49.820 25.287 1129 HG23 VAL 134 HG23 VAL 134 -2.274 49.965 23.558 1130 H GLU 135 H GLU 135 1.533 50.837 20.992 1131 HA GLU 135 HA GLU 135 3.698 49.393 22.341 1132 HB2 GLU 135 HB2 GLU 135 3.843 47.920 20.328 1133 HB3 GLU 135 HB3 GLU 135 2.399 47.739 21.309 1134 HG2 GLU 135 HG2 GLU 135 2.085 47.573 18.807 1135 HG3 GLU 135 HG3 GLU 135 0.966 48.576 19.704 1136 H ARG 136 H ARG 136 3.397 52.148 21.656 1137 HA ARG 136 HA ARG 136 5.135 52.916 19.457 1138 HB2 ARG 136 HB2 ARG 136 4.138 54.485 21.880 1139 HB3 ARG 136 HB3 ARG 136 5.007 55.181 20.506 1140 HG2 ARG 136 HG2 ARG 136 3.194 54.454 18.974 1141 HG3 ARG 136 HG3 ARG 136 2.291 53.799 20.355 1142 HD2 ARG 136 HD2 ARG 136 2.228 56.055 21.384 1143 HD3 ARG 136 HD3 ARG 136 3.102 56.722 20.008 1144 HE ARG 136 HE ARG 136 0.255 55.997 20.137 1145 HH11 ARG 136 HH11 ARG 136 2.854 56.711 17.863 1146 HH12 ARG 136 HH12 ARG 136 1.699 57.088 16.607 1147 HH21 ARG 136 HH21 ARG 136 -1.049 56.456 18.565 1148 HH22 ARG 136 HH22 ARG 136 -0.459 56.953 16.977 Start of MODEL 13 1 H1 MET 1 H1 MET 1 4.754 0.895 -24.340 2 H2 MET 1 H2 MET 1 5.071 -0.665 -24.753 3 H3 MET 1 H3 MET 1 4.443 -0.309 -23.285 4 HA MET 1 HA MET 1 6.755 -0.813 -23.037 5 HB2 MET 1 HB2 MET 1 7.424 -0.202 -25.334 6 HB3 MET 1 HB3 MET 1 7.159 1.510 -24.972 7 HG2 MET 1 HG2 MET 1 8.952 1.433 -23.276 8 HG3 MET 1 HG3 MET 1 9.210 -0.282 -23.606 9 HE1 MET 1 HE1 MET 1 9.198 -0.603 -26.763 10 HE2 MET 1 HE2 MET 1 10.914 -0.310 -27.099 11 HE3 MET 1 HE3 MET 1 10.442 -1.253 -25.669 12 H SER 2 H SER 2 7.665 -0.000 -21.164 13 HA SER 2 HA SER 2 6.232 1.910 -19.635 14 HB2 SER 2 HB2 SER 2 9.078 0.921 -19.218 15 HB3 SER 2 HB3 SER 2 8.014 1.650 -17.995 16 HG SER 2 HG SER 2 7.997 -0.628 -17.890 17 H ARG 3 H ARG 3 6.781 3.970 -18.848 18 HA ARG 3 HA ARG 3 8.092 5.804 -20.692 19 HB2 ARG 3 HB2 ARG 3 7.097 6.202 -17.832 20 HB3 ARG 3 HB3 ARG 3 7.679 7.487 -18.894 21 HG2 ARG 3 HG2 ARG 3 5.886 6.924 -20.546 22 HG3 ARG 3 HG3 ARG 3 5.223 5.744 -19.406 23 HD2 ARG 3 HD2 ARG 3 5.560 8.726 -18.870 24 HD3 ARG 3 HD3 ARG 3 4.053 7.941 -19.361 25 HE ARG 3 HE ARG 3 4.707 6.529 -17.108 26 HH11 ARG 3 HH11 ARG 3 4.111 6.967 -15.029 27 HH12 ARG 3 HH12 ARG 3 3.722 8.602 -14.561 28 HH21 ARG 3 HH21 ARG 3 4.305 9.979 -17.634 29 HH22 ARG 3 HH22 ARG 3 3.827 10.244 -15.973 30 H ASP 4 H ASP 4 9.969 6.997 -20.440 31 HA ASP 4 HA ASP 4 12.118 5.771 -18.808 32 HB2 ASP 4 HB2 ASP 4 13.612 7.226 -20.091 33 HB3 ASP 4 HB3 ASP 4 12.621 6.218 -21.137 34 H ALA 5 H ALA 5 9.934 8.427 -18.489 35 HA ALA 5 HA ALA 5 11.503 10.077 -16.743 36 HB1 ALA 5 HB1 ALA 5 9.304 10.977 -16.057 37 HB2 ALA 5 HB2 ALA 5 9.454 10.873 -17.820 38 HB3 ALA 5 HB3 ALA 5 8.488 9.669 -16.936 39 HA PRO 6 HA PRO 6 11.479 7.002 -13.435 40 HB2 PRO 6 HB2 PRO 6 13.065 8.221 -11.597 41 HB3 PRO 6 HB3 PRO 6 13.704 7.638 -13.162 42 HG2 PRO 6 HG2 PRO 6 12.866 10.461 -12.431 43 HG3 PRO 6 HG3 PRO 6 14.366 9.927 -13.251 44 HD2 PRO 6 HD2 PRO 6 12.110 10.844 -14.571 45 HD3 PRO 6 HD3 PRO 6 13.254 9.664 -15.297 46 H ILE 7 H ILE 7 10.484 6.685 -11.345 47 HA ILE 7 HA ILE 7 8.333 8.458 -10.717 48 HB ILE 7 HB ILE 7 9.420 6.219 -8.974 49 HG12 ILE 7 HG12 ILE 7 9.043 5.157 -11.062 50 HG13 ILE 7 HG13 ILE 7 7.702 4.749 -10.008 51 HG21 ILE 7 HG21 ILE 7 7.080 6.096 -8.143 52 HG22 ILE 7 HG22 ILE 7 7.845 7.639 -7.786 53 HG23 ILE 7 HG23 ILE 7 6.668 7.524 -9.112 54 HD11 ILE 7 HD11 ILE 7 7.663 6.776 -12.285 55 HD12 ILE 7 HD12 ILE 7 6.899 5.179 -12.266 56 HD13 ILE 7 HD13 ILE 7 6.284 6.453 -11.196 57 H LYS 8 H LYS 8 8.399 10.285 -9.600 58 HA LYS 8 HA LYS 8 10.515 10.774 -7.550 59 HB2 LYS 8 HB2 LYS 8 9.782 12.498 -9.941 60 HB3 LYS 8 HB3 LYS 8 10.715 13.130 -8.601 61 HG2 LYS 8 HG2 LYS 8 11.695 10.712 -10.160 62 HG3 LYS 8 HG3 LYS 8 11.951 12.360 -10.691 63 HD2 LYS 8 HD2 LYS 8 13.918 11.695 -9.585 64 HD3 LYS 8 HD3 LYS 8 13.123 12.893 -8.562 65 HE2 LYS 8 HE2 LYS 8 12.381 11.172 -7.010 66 HE3 LYS 8 HE3 LYS 8 12.909 9.884 -8.111 67 HZ1 LYS 8 HZ1 LYS 8 15.195 10.646 -7.766 68 HZ2 LYS 8 HZ2 LYS 8 14.703 11.828 -6.757 69 HZ3 LYS 8 HZ3 LYS 8 14.520 10.265 -6.345 70 H ALA 9 H ALA 9 7.598 10.213 -7.177 71 HA ALA 9 HA ALA 9 6.674 12.676 -5.863 72 HB1 ALA 9 HB1 ALA 9 5.599 9.857 -5.667 73 HB2 ALA 9 HB2 ALA 9 4.896 11.348 -4.984 74 HB3 ALA 9 HB3 ALA 9 5.016 11.154 -6.755 75 H ASP 10 H ASP 10 8.758 12.870 -4.906 76 HA ASP 10 HA ASP 10 9.798 11.326 -2.755 77 HB2 ASP 10 HB2 ASP 10 10.907 13.060 -4.282 78 HB3 ASP 10 HB3 ASP 10 10.071 14.295 -3.324 79 H LYS 11 H LYS 11 7.205 13.483 -2.825 80 HA LYS 11 HA LYS 11 5.878 14.659 -1.376 81 HB2 LYS 11 HB2 LYS 11 6.742 12.415 0.411 82 HB3 LYS 11 HB3 LYS 11 6.085 13.837 1.177 83 HG2 LYS 11 HG2 LYS 11 4.341 12.277 0.914 84 HG3 LYS 11 HG3 LYS 11 3.973 13.648 -0.099 85 HD2 LYS 11 HD2 LYS 11 4.680 12.352 -2.106 86 HD3 LYS 11 HD3 LYS 11 5.041 10.958 -1.053 87 HE2 LYS 11 HE2 LYS 11 2.686 10.996 -0.209 88 HE3 LYS 11 HE3 LYS 11 2.327 12.381 -1.239 89 HZ1 LYS 11 HZ1 LYS 11 1.612 10.277 -2.251 90 HZ2 LYS 11 HZ2 LYS 11 2.752 10.965 -3.184 91 HZ3 LYS 11 HZ3 LYS 11 3.127 9.691 -2.235 92 H ASP 12 H ASP 12 6.840 16.532 -1.756 93 HA ASP 12 HA ASP 12 9.011 17.756 -0.339 94 HB2 ASP 12 HB2 ASP 12 7.944 18.293 -2.618 95 HB3 ASP 12 HB3 ASP 12 6.637 19.068 -1.732 96 H TYR 13 H TYR 13 8.329 20.128 0.757 97 HA TYR 13 HA TYR 13 7.378 19.592 3.301 98 HB2 TYR 13 HB2 TYR 13 7.021 22.277 1.960 99 HB3 TYR 13 HB3 TYR 13 7.115 21.944 3.683 100 HD1 TYR 13 HD1 TYR 13 8.696 24.016 2.175 101 HD2 TYR 13 HD2 TYR 13 9.616 19.937 3.281 102 HE1 TYR 13 HE1 TYR 13 11.117 24.589 2.305 103 HE2 TYR 13 HE2 TYR 13 12.027 20.510 3.359 104 HH TYR 13 HH TYR 13 13.329 22.538 3.870 105 H SER 14 H SER 14 5.599 19.770 4.370 106 HA SER 14 HA SER 14 3.459 19.314 4.952 107 HB2 SER 14 HB2 SER 14 1.627 20.437 4.057 108 HB3 SER 14 HB3 SER 14 2.982 21.585 4.019 109 HG SER 14 HG SER 14 3.249 20.856 1.779 110 H GLN 15 H GLN 15 4.459 18.307 1.761 111 HA GLN 15 HA GLN 15 2.315 16.374 1.444 112 HB2 GLN 15 HB2 GLN 15 4.936 16.259 0.012 113 HB3 GLN 15 HB3 GLN 15 3.372 15.667 -0.511 114 HG2 GLN 15 HG2 GLN 15 4.231 18.583 -0.371 115 HG3 GLN 15 HG3 GLN 15 4.068 17.605 -1.811 116 HE21 GLN 15 HE21 GLN 15 0.991 19.695 -1.507 117 HE22 GLN 15 HE22 GLN 15 2.711 20.044 -1.597 118 H ILE 16 H ILE 16 5.475 16.478 3.007 119 HA ILE 16 HA ILE 16 6.093 13.897 3.758 120 HB ILE 16 HB ILE 16 5.662 16.285 5.644 121 HG12 ILE 16 HG12 ILE 16 8.176 15.511 4.141 122 HG13 ILE 16 HG13 ILE 16 7.055 16.827 3.742 123 HG21 ILE 16 HG21 ILE 16 5.922 14.268 7.022 124 HG22 ILE 16 HG22 ILE 16 7.394 13.833 6.129 125 HG23 ILE 16 HG23 ILE 16 7.337 15.282 7.159 126 HD11 ILE 16 HD11 ILE 16 8.841 17.875 4.813 127 HD12 ILE 16 HD12 ILE 16 7.486 17.870 5.950 128 HD13 ILE 16 HD13 ILE 16 8.836 16.722 6.168 129 H LEU 17 H LEU 17 3.431 15.815 5.046 130 HA LEU 17 HA LEU 17 2.658 13.902 7.040 131 HB2 LEU 17 HB2 LEU 17 1.030 16.121 5.820 132 HB3 LEU 17 HB3 LEU 17 0.888 15.431 7.455 133 HG LEU 17 HG LEU 17 3.092 17.251 6.388 134 HD11 LEU 17 HD11 LEU 17 0.949 18.351 6.848 135 HD12 LEU 17 HD12 LEU 17 0.969 17.737 8.516 136 HD13 LEU 17 HD13 LEU 17 2.212 18.882 7.970 137 HD21 LEU 17 HD21 LEU 17 3.993 17.344 8.690 138 HD22 LEU 17 HD22 LEU 17 2.861 16.079 9.194 139 HD23 LEU 17 HD23 LEU 17 4.122 15.740 7.983 140 H LYS 18 H LYS 18 2.041 14.081 3.607 141 HA LYS 18 HA LYS 18 -0.332 12.465 3.421 142 HB2 LYS 18 HB2 LYS 18 1.876 12.676 1.372 143 HB3 LYS 18 HB3 LYS 18 0.248 12.120 1.107 144 HG2 LYS 18 HG2 LYS 18 0.769 14.930 2.084 145 HG3 LYS 18 HG3 LYS 18 0.934 14.498 0.373 146 HD2 LYS 18 HD2 LYS 18 -1.456 13.748 0.358 147 HD3 LYS 18 HD3 LYS 18 -1.559 14.006 2.097 148 HE2 LYS 18 HE2 LYS 18 -2.677 15.833 1.141 149 HE3 LYS 18 HE3 LYS 18 -1.141 16.468 1.733 150 HZ1 LYS 18 HZ1 LYS 18 -1.646 15.719 -1.105 151 HZ2 LYS 18 HZ2 LYS 18 -1.789 17.229 -0.525 152 HZ3 LYS 18 HZ3 LYS 18 -0.328 16.530 -0.535 153 H GLU 19 H GLU 19 3.153 11.814 3.654 154 HA GLU 19 HA GLU 19 2.727 8.975 3.032 155 HB2 GLU 19 HB2 GLU 19 4.890 8.786 2.558 156 HB3 GLU 19 HB3 GLU 19 4.776 10.531 2.355 157 HG2 GLU 19 HG2 GLU 19 5.593 10.777 4.730 158 HG3 GLU 19 HG3 GLU 19 5.812 9.035 4.809 159 H GLU 20 H GLU 20 3.464 10.969 5.852 160 HA GLU 20 HA GLU 20 3.845 8.679 7.626 161 HB2 GLU 20 HB2 GLU 20 3.695 11.682 8.010 162 HB3 GLU 20 HB3 GLU 20 3.870 10.572 9.374 163 HG2 GLU 20 HG2 GLU 20 5.744 10.278 7.025 164 HG3 GLU 20 HG3 GLU 20 5.988 11.624 8.137 165 H PHE 21 H PHE 21 1.092 10.802 6.872 166 HA PHE 21 HA PHE 21 -0.542 10.214 9.094 167 HB2 PHE 21 HB2 PHE 21 -1.230 11.883 7.560 168 HB3 PHE 21 HB3 PHE 21 -1.316 10.745 6.219 169 HD1 PHE 21 HD1 PHE 21 -3.354 9.545 5.785 170 HD2 PHE 21 HD2 PHE 21 -2.833 11.616 9.531 171 HE1 PHE 21 HE1 PHE 21 -5.734 9.125 6.351 172 HE2 PHE 21 HE2 PHE 21 -5.214 11.196 10.095 173 HZ PHE 21 HZ PHE 21 -6.670 9.950 8.504 174 HA PRO 22 HA PRO 22 -2.270 6.177 7.046 175 HB2 PRO 22 HB2 PRO 22 -0.272 4.851 5.550 176 HB3 PRO 22 HB3 PRO 22 -1.784 5.597 4.920 177 HG2 PRO 22 HG2 PRO 22 1.026 6.636 4.985 178 HG3 PRO 22 HG3 PRO 22 -0.233 6.926 3.743 179 HD2 PRO 22 HD2 PRO 22 0.405 8.812 5.562 180 HD3 PRO 22 HD3 PRO 22 -1.283 8.579 5.049 181 H LYS 23 H LYS 23 1.266 6.474 7.599 182 HA LYS 23 HA LYS 23 1.675 3.979 8.874 183 HB2 LYS 23 HB2 LYS 23 3.151 6.491 9.672 184 HB3 LYS 23 HB3 LYS 23 3.711 4.827 9.753 185 HG2 LYS 23 HG2 LYS 23 3.138 6.401 7.238 186 HG3 LYS 23 HG3 LYS 23 4.739 6.098 7.903 187 HD2 LYS 23 HD2 LYS 23 4.511 3.695 7.443 188 HD3 LYS 23 HD3 LYS 23 2.843 3.934 6.864 189 HE2 LYS 23 HE2 LYS 23 3.653 5.451 5.084 190 HE3 LYS 23 HE3 LYS 23 5.318 5.243 5.647 191 HZ1 LYS 23 HZ1 LYS 23 5.139 2.877 5.102 192 HZ2 LYS 23 HZ2 LYS 23 3.610 3.068 4.566 193 HZ3 LYS 23 HZ3 LYS 23 4.846 3.780 3.786 194 H ILE 24 H ILE 24 0.449 7.018 10.216 195 HA ILE 24 HA ILE 24 0.119 5.756 12.862 196 HB ILE 24 HB ILE 24 0.226 7.612 13.803 197 HG12 ILE 24 HG12 ILE 24 -1.445 9.430 12.068 198 HG13 ILE 24 HG13 ILE 24 -2.277 8.239 13.042 199 HG21 ILE 24 HG21 ILE 24 0.632 8.950 11.099 200 HG22 ILE 24 HG22 ILE 24 1.189 9.584 12.645 201 HG23 ILE 24 HG23 ILE 24 1.906 8.104 12.018 202 HD11 ILE 24 HD11 ILE 24 -1.366 9.010 15.086 203 HD12 ILE 24 HD12 ILE 24 -0.309 10.195 14.263 204 HD13 ILE 24 HD13 ILE 24 -2.090 10.359 14.216 205 H ASP 25 H ASP 25 -1.905 6.450 10.070 206 HA ASP 25 HA ASP 25 -4.366 6.603 11.412 207 HB2 ASP 25 HB2 ASP 25 -3.846 7.240 9.067 208 HB3 ASP 25 HB3 ASP 25 -3.752 5.530 8.635 209 H SER 26 H SER 26 -2.525 3.748 10.502 210 HA SER 26 HA SER 26 -4.550 1.786 11.285 211 HB2 SER 26 HB2 SER 26 -2.694 1.298 9.711 212 HB3 SER 26 HB3 SER 26 -1.525 1.565 11.021 213 HG SER 26 HG SER 26 -2.056 -0.660 10.684 214 H LEU 27 H LEU 27 -2.005 3.601 12.995 215 HA LEU 27 HA LEU 27 -2.054 1.895 15.340 216 HB2 LEU 27 HB2 LEU 27 0.066 2.729 14.639 217 HB3 LEU 27 HB3 LEU 27 -0.553 4.371 14.491 218 HG LEU 27 HG LEU 27 -0.915 4.477 16.913 219 HD11 LEU 27 HD11 LEU 27 -1.055 2.097 17.506 220 HD12 LEU 27 HD12 LEU 27 0.621 1.837 16.960 221 HD13 LEU 27 HD13 LEU 27 0.281 2.852 18.384 222 HD21 LEU 27 HD21 LEU 27 1.972 3.800 16.193 223 HD22 LEU 27 HD22 LEU 27 1.170 5.332 15.790 224 HD23 LEU 27 HD23 LEU 27 1.394 4.885 17.487 225 H ALA 28 H ALA 28 -2.828 5.352 14.768 226 HA ALA 28 HA ALA 28 -3.699 5.975 17.338 227 HB1 ALA 28 HB1 ALA 28 -4.684 7.245 14.741 228 HB2 ALA 28 HB2 ALA 28 -4.631 8.011 16.348 229 HB3 ALA 28 HB3 ALA 28 -3.137 7.624 15.507 230 H GLN 29 H GLN 29 -5.542 4.446 14.813 231 HA GLN 29 HA GLN 29 -8.123 4.597 16.102 232 HB2 GLN 29 HB2 GLN 29 -7.007 2.781 13.937 233 HB3 GLN 29 HB3 GLN 29 -8.670 2.671 14.534 234 HG2 GLN 29 HG2 GLN 29 -9.025 5.083 13.957 235 HG3 GLN 29 HG3 GLN 29 -7.433 5.110 13.199 236 HE21 GLN 29 HE21 GLN 29 -8.529 3.200 10.346 237 HE22 GLN 29 HE22 GLN 29 -7.114 3.744 11.266 238 H ASN 30 H ASN 30 -5.404 2.856 17.110 239 HA ASN 30 HA ASN 30 -7.003 0.867 18.608 240 HB2 ASN 30 HB2 ASN 30 -4.454 0.485 16.988 241 HB3 ASN 30 HB3 ASN 30 -5.066 -0.710 18.128 242 HD21 ASN 30 HD21 ASN 30 -6.625 -0.676 14.448 243 HD22 ASN 30 HD22 ASN 30 -5.216 0.298 14.847 244 H ASP 31 H ASP 31 -3.920 2.680 18.534 245 HA ASP 31 HA ASP 31 -3.930 2.909 21.471 246 HB2 ASP 31 HB2 ASP 31 -2.734 0.784 21.050 247 HB3 ASP 31 HB3 ASP 31 -1.619 1.618 19.967 248 H CYS 32 H CYS 32 -4.416 5.103 20.869 249 HA CYS 32 HA CYS 32 -2.847 6.613 19.029 250 HB2 CYS 32 HB2 CYS 32 -4.139 8.522 19.897 251 HB3 CYS 32 HB3 CYS 32 -5.184 7.126 19.590 252 HG CYS 32 HG CYS 32 -6.037 8.312 21.753 253 H ASN 33 H ASN 33 -2.022 5.889 22.350 254 HA ASN 33 HA ASN 33 -0.932 8.380 23.102 255 HB2 ASN 33 HB2 ASN 33 -1.516 6.508 24.634 256 HB3 ASN 33 HB3 ASN 33 -0.152 5.578 24.023 257 HD21 ASN 33 HD21 ASN 33 1.865 7.011 26.543 258 HD22 ASN 33 HD22 ASN 33 1.382 5.574 25.651 259 H SER 34 H SER 34 0.624 5.692 21.394 260 HA SER 34 HA SER 34 3.225 7.050 21.106 261 HB2 SER 34 HB2 SER 34 1.976 4.635 19.749 262 HB3 SER 34 HB3 SER 34 3.647 5.191 19.485 263 HG SER 34 HG SER 34 3.539 3.551 21.078 264 H ALA 35 H ALA 35 0.198 6.940 19.371 265 HA ALA 35 HA ALA 35 1.172 7.363 16.715 266 HB1 ALA 35 HB1 ALA 35 -1.088 6.344 17.793 267 HB2 ALA 35 HB2 ALA 35 -1.661 7.979 17.464 268 HB3 ALA 35 HB3 ALA 35 -1.007 6.986 16.140 269 H LEU 36 H LEU 36 -0.578 9.563 18.985 270 HA LEU 36 HA LEU 36 -0.752 11.728 17.289 271 HB2 LEU 36 HB2 LEU 36 -0.127 11.899 20.269 272 HB3 LEU 36 HB3 LEU 36 -1.164 12.995 19.413 273 HG LEU 36 HG LEU 36 -2.277 10.246 19.439 274 HD11 LEU 36 HD11 LEU 36 -2.661 10.023 21.801 275 HD12 LEU 36 HD12 LEU 36 -0.922 10.272 21.618 276 HD13 LEU 36 HD13 LEU 36 -1.960 11.613 22.145 277 HD21 LEU 36 HD21 LEU 36 -4.216 11.252 20.531 278 HD22 LEU 36 HD22 LEU 36 -3.360 12.791 20.646 279 HD23 LEU 36 HD23 LEU 36 -3.799 12.100 19.059 280 H ASP 37 H ASP 37 1.943 10.816 19.330 281 HA ASP 37 HA ASP 37 3.698 13.020 18.716 282 HB2 ASP 37 HB2 ASP 37 3.814 11.227 20.599 283 HB3 ASP 37 HB3 ASP 37 4.510 10.165 19.378 284 H GLN 38 H GLN 38 2.775 10.244 16.707 285 HA GLN 38 HA GLN 38 5.207 10.297 15.189 286 HB2 GLN 38 HB2 GLN 38 2.488 9.193 14.419 287 HB3 GLN 38 HB3 GLN 38 4.004 8.903 13.550 288 HG2 GLN 38 HG2 GLN 38 3.266 8.094 16.334 289 HG3 GLN 38 HG3 GLN 38 3.493 7.001 14.971 290 HE21 GLN 38 HE21 GLN 38 6.532 7.495 17.421 291 HE22 GLN 38 HE22 GLN 38 4.815 7.698 17.809 292 H LEU 39 H LEU 39 2.040 12.024 14.858 293 HA LEU 39 HA LEU 39 3.170 13.472 12.529 294 HB2 LEU 39 HB2 LEU 39 0.554 13.940 13.991 295 HB3 LEU 39 HB3 LEU 39 1.057 14.659 12.458 296 HG LEU 39 HG LEU 39 0.522 11.717 12.992 297 HD11 LEU 39 HD11 LEU 39 -1.507 13.159 12.799 298 HD12 LEU 39 HD12 LEU 39 -0.957 13.679 11.192 299 HD13 LEU 39 HD13 LEU 39 -1.378 11.979 11.494 300 HD21 LEU 39 HD21 LEU 39 1.342 13.082 10.387 301 HD22 LEU 39 HD22 LEU 39 2.275 11.857 11.283 302 HD23 LEU 39 HD23 LEU 39 0.755 11.413 10.521 303 H LEU 40 H LEU 40 2.663 14.226 16.052 304 HA LEU 40 HA LEU 40 3.410 17.003 15.614 305 HB2 LEU 40 HB2 LEU 40 3.513 15.420 18.181 306 HB3 LEU 40 HB3 LEU 40 3.703 17.161 18.020 307 HG LEU 40 HG LEU 40 1.512 17.585 18.161 308 HD11 LEU 40 HD11 LEU 40 1.059 16.875 15.818 309 HD12 LEU 40 HD12 LEU 40 0.650 15.264 16.452 310 HD13 LEU 40 HD13 LEU 40 -0.268 16.697 16.963 311 HD21 LEU 40 HD21 LEU 40 0.204 15.886 19.292 312 HD22 LEU 40 HD22 LEU 40 1.362 14.644 18.840 313 HD23 LEU 40 HD23 LEU 40 1.854 15.931 19.921 314 H VAL 41 H VAL 41 5.348 14.090 15.998 315 HA VAL 41 HA VAL 41 7.912 15.272 16.386 316 HB VAL 41 HB VAL 41 6.798 12.760 15.185 317 HG11 VAL 41 HG11 VAL 41 8.535 13.157 13.516 318 HG12 VAL 41 HG12 VAL 41 9.724 13.545 14.787 319 HG13 VAL 41 HG13 VAL 41 9.074 11.898 14.621 320 HG21 VAL 41 HG21 VAL 41 8.244 11.734 16.878 321 HG22 VAL 41 HG22 VAL 41 9.077 13.281 17.172 322 HG23 VAL 41 HG23 VAL 41 7.377 13.078 17.637 323 H LEU 42 H LEU 42 5.889 14.964 13.474 324 HA LEU 42 HA LEU 42 7.848 16.033 11.664 325 HB2 LEU 42 HB2 LEU 42 4.846 16.113 11.411 326 HB3 LEU 42 HB3 LEU 42 6.015 16.259 10.108 327 HG LEU 42 HG LEU 42 5.698 13.754 11.832 328 HD11 LEU 42 HD11 LEU 42 4.459 12.710 10.198 329 HD12 LEU 42 HD12 LEU 42 3.685 14.289 10.358 330 HD13 LEU 42 HD13 LEU 42 4.763 13.961 8.980 331 HD21 LEU 42 HD21 LEU 42 7.252 14.326 9.278 332 HD22 LEU 42 HD22 LEU 42 7.922 13.916 10.870 333 HD23 LEU 42 HD23 LEU 42 7.008 12.701 9.978 334 H GLU 43 H GLU 43 4.950 17.575 13.167 335 HA GLU 43 HA GLU 43 5.390 20.259 12.632 336 HB2 GLU 43 HB2 GLU 43 3.584 19.597 14.054 337 HB3 GLU 43 HB3 GLU 43 4.633 18.960 15.267 338 HG2 GLU 43 HG2 GLU 43 4.976 21.861 14.673 339 HG3 GLU 43 HG3 GLU 43 3.420 21.410 15.310 340 H LYS 44 H LYS 44 7.052 18.419 15.144 341 HA LYS 44 HA LYS 44 8.713 20.554 16.107 342 HB2 LYS 44 HB2 LYS 44 8.083 18.532 17.376 343 HB3 LYS 44 HB3 LYS 44 9.020 17.522 16.276 344 HG2 LYS 44 HG2 LYS 44 11.110 18.680 16.982 345 HG3 LYS 44 HG3 LYS 44 10.167 19.733 18.051 346 HD2 LYS 44 HD2 LYS 44 9.422 17.744 19.347 347 HD3 LYS 44 HD3 LYS 44 10.368 16.692 18.270 348 HE2 LYS 44 HE2 LYS 44 12.447 17.881 18.923 349 HE3 LYS 44 HE3 LYS 44 11.511 18.935 19.996 350 HZ1 LYS 44 HZ1 LYS 44 10.898 16.962 21.281 351 HZ2 LYS 44 HZ2 LYS 44 11.756 15.992 20.291 352 HZ3 LYS 44 HZ3 LYS 44 12.516 17.099 21.208 353 H LYS 45 H LYS 45 9.576 17.760 14.050 354 HA LYS 45 HA LYS 45 12.254 18.570 13.513 355 HB2 LYS 45 HB2 LYS 45 11.305 16.278 13.202 356 HB3 LYS 45 HB3 LYS 45 10.386 16.851 11.806 357 HG2 LYS 45 HG2 LYS 45 12.485 17.388 10.609 358 HG3 LYS 45 HG3 LYS 45 13.427 17.006 12.055 359 HD2 LYS 45 HD2 LYS 45 13.621 15.176 10.522 360 HD3 LYS 45 HD3 LYS 45 12.693 14.637 11.927 361 HE2 LYS 45 HE2 LYS 45 10.581 14.911 10.635 362 HE3 LYS 45 HE3 LYS 45 11.503 15.528 9.251 363 HZ1 LYS 45 HZ1 LYS 45 10.996 13.167 8.998 364 HZ2 LYS 45 HZ2 LYS 45 12.604 13.366 9.108 365 HZ3 LYS 45 HZ3 LYS 45 11.772 12.793 10.380 366 H THR 46 H THR 46 9.281 19.198 11.671 367 HA THR 46 HA THR 46 10.466 20.645 9.507 368 HB THR 46 HB THR 46 8.235 21.554 9.111 369 HG1 THR 46 HG1 THR 46 7.467 19.948 11.278 370 HG21 THR 46 HG21 THR 46 8.481 19.563 7.994 371 HG22 THR 46 HG22 THR 46 8.637 18.578 9.480 372 HG23 THR 46 HG23 THR 46 7.060 19.237 9.024 373 H ARG 47 H ARG 47 9.062 21.878 12.600 374 HA ARG 47 HA ARG 47 9.775 24.595 11.917 375 HB2 ARG 47 HB2 ARG 47 8.567 23.261 14.258 376 HB3 ARG 47 HB3 ARG 47 9.656 24.533 14.761 377 HG2 ARG 47 HG2 ARG 47 7.707 25.111 12.527 378 HG3 ARG 47 HG3 ARG 47 7.141 25.049 14.187 379 HD2 ARG 47 HD2 ARG 47 7.769 27.329 13.408 380 HD3 ARG 47 HD3 ARG 47 8.564 26.811 14.904 381 HE ARG 47 HE ARG 47 10.464 26.211 13.043 382 HH11 ARG 47 HH11 ARG 47 8.927 29.205 13.968 383 HH12 ARG 47 HH12 ARG 47 10.275 30.146 13.368 384 HH21 ARG 47 HH21 ARG 47 12.111 27.433 12.398 385 HH22 ARG 47 HH22 ARG 47 11.994 29.169 12.478 386 H GLN 48 H GLN 48 11.628 22.097 13.639 387 HA GLN 48 HA GLN 48 13.755 23.946 14.272 388 HB2 GLN 48 HB2 GLN 48 13.616 20.920 14.301 389 HB3 GLN 48 HB3 GLN 48 15.033 21.834 14.824 390 HG2 GLN 48 HG2 GLN 48 12.241 22.094 16.015 391 HG3 GLN 48 HG3 GLN 48 13.580 21.209 16.741 392 HE21 GLN 48 HE21 GLN 48 13.220 24.845 18.020 393 HE22 GLN 48 HE22 GLN 48 11.968 23.662 17.655 394 H ALA 49 H ALA 49 13.241 21.707 11.540 395 HA ALA 49 HA ALA 49 15.795 22.171 10.327 396 HB1 ALA 49 HB1 ALA 49 14.778 20.822 8.519 397 HB2 ALA 49 HB2 ALA 49 14.478 20.093 10.106 398 HB3 ALA 49 HB3 ALA 49 13.181 20.988 9.292 399 H SER 50 H SER 50 13.111 24.216 10.480 400 HA SER 50 HA SER 50 12.261 25.928 9.319 401 HB2 SER 50 HB2 SER 50 14.858 26.095 7.763 402 HB3 SER 50 HB3 SER 50 13.581 27.321 7.850 403 HG SER 50 HG SER 50 15.182 26.346 9.983 404 H ASP 51 H ASP 51 11.874 23.239 8.470 405 HA ASP 51 HA ASP 51 10.922 23.470 5.648 406 HB2 ASP 51 HB2 ASP 51 10.941 21.110 7.554 407 HB3 ASP 51 HB3 ASP 51 10.396 21.065 5.887 408 H LEU 52 H LEU 52 9.956 24.997 7.984 409 HA LEU 52 HA LEU 52 7.805 23.890 9.269 410 HB2 LEU 52 HB2 LEU 52 7.418 25.912 10.247 411 HB3 LEU 52 HB3 LEU 52 9.169 25.751 10.044 412 HG LEU 52 HG LEU 52 7.380 27.436 8.236 413 HD11 LEU 52 HD11 LEU 52 8.170 29.363 9.527 414 HD12 LEU 52 HD12 LEU 52 7.299 28.225 10.567 415 HD13 LEU 52 HD13 LEU 52 9.074 28.276 10.608 416 HD21 LEU 52 HD21 LEU 52 9.474 26.837 7.180 417 HD22 LEU 52 HD22 LEU 52 9.565 28.529 7.681 418 HD23 LEU 52 HD23 LEU 52 10.388 27.269 8.641 419 H ALA 53 H ALA 53 7.748 25.319 6.229 420 HA ALA 53 HA ALA 53 4.996 25.956 5.826 421 HB1 ALA 53 HB1 ALA 53 5.429 25.323 3.465 422 HB2 ALA 53 HB2 ALA 53 6.768 26.285 4.124 423 HB3 ALA 53 HB3 ALA 53 6.940 24.522 3.949 424 H SER 54 H SER 54 6.559 22.879 6.352 425 HA SER 54 HA SER 54 4.155 21.214 5.930 426 HB2 SER 54 HB2 SER 54 6.605 20.589 7.553 427 HB3 SER 54 HB3 SER 54 5.549 19.404 6.769 428 HG SER 54 HG SER 54 7.633 21.036 5.827 429 H SER 55 H SER 55 6.138 22.204 8.786 430 HA SER 55 HA SER 55 4.707 21.345 10.905 431 HB2 SER 55 HB2 SER 55 6.745 23.029 10.787 432 HB3 SER 55 HB3 SER 55 5.512 24.262 10.830 433 HG SER 55 HG SER 55 6.297 22.414 12.776 434 H LYS 56 H LYS 56 3.957 24.222 9.041 435 HA LYS 56 HA LYS 56 1.730 25.282 10.392 436 HB2 LYS 56 HB2 LYS 56 3.052 26.326 8.560 437 HB3 LYS 56 HB3 LYS 56 2.290 25.234 7.396 438 HG2 LYS 56 HG2 LYS 56 0.086 26.244 7.839 439 HG3 LYS 56 HG3 LYS 56 0.790 27.278 9.098 440 HD2 LYS 56 HD2 LYS 56 2.235 28.369 7.396 441 HD3 LYS 56 HD3 LYS 56 1.562 27.306 6.142 442 HE2 LYS 56 HE2 LYS 56 -0.711 28.218 6.594 443 HE3 LYS 56 HE3 LYS 56 -0.032 29.291 7.828 444 HZ1 LYS 56 HZ1 LYS 56 1.282 30.355 6.073 445 HZ2 LYS 56 HZ2 LYS 56 0.664 29.355 4.940 446 HZ3 LYS 56 HZ3 LYS 56 -0.299 30.420 5.699 447 H GLU 57 H GLU 57 1.695 22.523 8.184 448 HA GLU 57 HA GLU 57 -1.264 22.403 8.168 449 HB2 GLU 57 HB2 GLU 57 0.879 20.654 6.973 450 HB3 GLU 57 HB3 GLU 57 -0.852 20.324 6.830 451 HG2 GLU 57 HG2 GLU 57 0.659 22.754 5.810 452 HG3 GLU 57 HG3 GLU 57 -0.015 21.445 4.836 453 H VAL 58 H VAL 58 1.468 20.921 9.838 454 HA VAL 58 HA VAL 58 -0.111 18.899 11.211 455 HB VAL 58 HB VAL 58 2.283 20.097 12.509 456 HG11 VAL 58 HG11 VAL 58 1.410 17.185 12.136 457 HG12 VAL 58 HG12 VAL 58 2.555 17.814 13.323 458 HG13 VAL 58 HG13 VAL 58 0.839 18.184 13.474 459 HG21 VAL 58 HG21 VAL 58 3.802 18.579 11.294 460 HG22 VAL 58 HG22 VAL 58 2.472 18.142 10.224 461 HG23 VAL 58 HG23 VAL 58 3.116 19.797 10.224 462 H LEU 59 H LEU 59 0.916 22.233 12.009 463 HA LEU 59 HA LEU 59 -0.185 22.568 14.521 464 HB2 LEU 59 HB2 LEU 59 0.297 24.359 12.188 465 HB3 LEU 59 HB3 LEU 59 -0.749 24.945 13.467 466 HG LEU 59 HG LEU 59 1.143 24.161 15.093 467 HD11 LEU 59 HD11 LEU 59 2.580 23.025 13.531 468 HD12 LEU 59 HD12 LEU 59 2.698 24.497 12.518 469 HD13 LEU 59 HD13 LEU 59 3.425 24.459 14.110 470 HD21 LEU 59 HD21 LEU 59 1.471 26.601 13.304 471 HD22 LEU 59 HD22 LEU 59 0.484 26.522 14.771 472 HD23 LEU 59 HD23 LEU 59 2.236 26.381 14.889 473 H ALA 60 H ALA 60 -1.996 22.439 11.491 474 HA ALA 60 HA ALA 60 -4.459 23.261 12.686 475 HB1 ALA 60 HB1 ALA 60 -5.387 22.712 10.437 476 HB2 ALA 60 HB2 ALA 60 -3.873 23.636 10.298 477 HB3 ALA 60 HB3 ALA 60 -3.876 21.881 10.030 478 H LYS 61 H LYS 61 -2.929 20.341 13.044 479 HA LYS 61 HA LYS 61 -5.379 19.266 14.204 480 HB2 LYS 61 HB2 LYS 61 -5.573 17.434 13.106 481 HB3 LYS 61 HB3 LYS 61 -4.600 18.247 11.887 482 HG2 LYS 61 HG2 LYS 61 -3.572 16.251 13.954 483 HG3 LYS 61 HG3 LYS 61 -3.989 15.837 12.313 484 HD2 LYS 61 HD2 LYS 61 -1.913 17.962 12.851 485 HD3 LYS 61 HD3 LYS 61 -1.500 16.283 13.014 486 HE2 LYS 61 HE2 LYS 61 -0.819 17.067 10.849 487 HE3 LYS 61 HE3 LYS 61 -2.042 15.804 10.702 488 HZ1 LYS 61 HZ1 LYS 61 -2.517 17.491 9.112 489 HZ2 LYS 61 HZ2 LYS 61 -3.687 17.600 10.211 490 HZ3 LYS 61 HZ3 LYS 61 -2.465 18.721 10.158 491 H ILE 62 H ILE 62 -2.323 20.228 14.708 492 HA ILE 62 HA ILE 62 -1.461 18.772 16.910 493 HB ILE 62 HB ILE 62 -1.008 21.241 15.706 494 HG12 ILE 62 HG12 ILE 62 0.976 21.335 17.439 495 HG13 ILE 62 HG13 ILE 62 0.405 19.698 17.813 496 HG21 ILE 62 HG21 ILE 62 -2.424 22.445 17.141 497 HG22 ILE 62 HG22 ILE 62 -1.536 21.874 18.590 498 HG23 ILE 62 HG23 ILE 62 -0.743 22.911 17.388 499 HD11 ILE 62 HD11 ILE 62 2.055 19.506 16.083 500 HD12 ILE 62 HD12 ILE 62 0.464 19.242 15.320 501 HD13 ILE 62 HD13 ILE 62 1.295 20.809 15.132 502 H VAL 63 H VAL 63 -4.350 20.948 16.751 503 HA VAL 63 HA VAL 63 -4.711 20.557 19.644 504 HB VAL 63 HB VAL 63 -5.468 22.600 18.427 505 HG11 VAL 63 HG11 VAL 63 -7.884 20.911 17.703 506 HG12 VAL 63 HG12 VAL 63 -7.646 22.648 17.416 507 HG13 VAL 63 HG13 VAL 63 -6.629 21.457 16.566 508 HG21 VAL 63 HG21 VAL 63 -7.032 22.993 20.157 509 HG22 VAL 63 HG22 VAL 63 -7.592 21.316 20.162 510 HG23 VAL 63 HG23 VAL 63 -5.984 21.731 20.801 511 H ASP 64 H ASP 64 -5.431 18.614 16.997 512 HA ASP 64 HA ASP 64 -7.489 17.084 18.381 513 HB2 ASP 64 HB2 ASP 64 -6.048 16.425 15.781 514 HB3 ASP 64 HB3 ASP 64 -7.401 15.542 16.463 515 H LEU 65 H LEU 65 -4.028 17.010 17.826 516 HA LEU 65 HA LEU 65 -3.791 14.374 19.187 517 HB2 LEU 65 HB2 LEU 65 -2.328 15.731 16.982 518 HB3 LEU 65 HB3 LEU 65 -1.381 14.707 18.035 519 HG LEU 65 HG LEU 65 -2.644 12.694 17.399 520 HD11 LEU 65 HD11 LEU 65 -4.400 12.803 15.661 521 HD12 LEU 65 HD12 LEU 65 -4.912 13.589 17.153 522 HD13 LEU 65 HD13 LEU 65 -4.404 14.579 15.765 523 HD21 LEU 65 HD21 LEU 65 -2.086 12.600 15.079 524 HD22 LEU 65 HD22 LEU 65 -2.031 14.379 14.954 525 HD23 LEU 65 HD23 LEU 65 -0.837 13.494 15.938 526 H LEU 66 H LEU 66 -1.983 17.577 19.252 527 HA LEU 66 HA LEU 66 -0.387 16.819 21.471 528 HB2 LEU 66 HB2 LEU 66 -0.136 18.651 19.637 529 HB3 LEU 66 HB3 LEU 66 -1.140 19.648 20.677 530 HG LEU 66 HG LEU 66 0.558 19.466 22.462 531 HD11 LEU 66 HD11 LEU 66 2.819 18.737 21.924 532 HD12 LEU 66 HD12 LEU 66 1.716 17.373 21.718 533 HD13 LEU 66 HD13 LEU 66 2.317 18.257 20.293 534 HD21 LEU 66 HD21 LEU 66 1.301 20.563 19.731 535 HD22 LEU 66 HD22 LEU 66 0.576 21.431 21.102 536 HD23 LEU 66 HD23 LEU 66 2.253 20.898 21.159 537 H ALA 67 H ALA 67 -3.212 19.152 21.480 538 HA ALA 67 HA ALA 67 -3.624 19.260 24.247 539 HB1 ALA 67 HB1 ALA 67 -5.625 19.125 21.927 540 HB2 ALA 67 HB2 ALA 67 -6.029 19.700 23.559 541 HB3 ALA 67 HB3 ALA 67 -4.871 20.591 22.563 542 H SER 68 H SER 68 -4.456 16.601 22.127 543 HA SER 68 HA SER 68 -6.020 15.138 24.084 544 HB2 SER 68 HB2 SER 68 -4.914 14.264 21.402 545 HB3 SER 68 HB3 SER 68 -6.062 13.334 22.388 546 HG SER 68 HG SER 68 -6.660 15.059 20.614 547 H ARG 69 H ARG 69 -2.624 15.095 23.168 548 HA ARG 69 HA ARG 69 -2.007 12.623 24.667 549 HB2 ARG 69 HB2 ARG 69 -0.849 13.575 22.492 550 HB3 ARG 69 HB3 ARG 69 0.042 14.603 23.605 551 HG2 ARG 69 HG2 ARG 69 0.824 12.511 24.819 552 HG3 ARG 69 HG3 ARG 69 -0.103 11.548 23.679 553 HD2 ARG 69 HD2 ARG 69 1.313 12.579 21.821 554 HD3 ARG 69 HD3 ARG 69 2.310 13.307 23.081 555 HE ARG 69 HE ARG 69 1.880 10.343 22.683 556 HH11 ARG 69 HH11 ARG 69 3.397 8.977 23.197 557 HH12 ARG 69 HH12 ARG 69 4.903 9.511 23.919 558 HH21 ARG 69 HH21 ARG 69 4.066 12.838 23.889 559 HH22 ARG 69 HH22 ARG 69 5.258 11.635 24.300 560 H ASN 70 H ASN 70 -3.207 15.070 25.911 561 HA ASN 70 HA ASN 70 -3.102 16.525 27.504 562 HB2 ASN 70 HB2 ASN 70 -2.350 15.898 29.707 563 HB3 ASN 70 HB3 ASN 70 -3.127 14.543 28.912 564 HD21 ASN 70 HD21 ASN 70 -0.379 12.457 29.556 565 HD22 ASN 70 HD22 ASN 70 -2.088 12.609 29.185 566 H LYS 71 H LYS 71 -0.942 16.678 25.410 567 HA LYS 71 HA LYS 71 0.910 18.535 26.714 568 HB2 LYS 71 HB2 LYS 71 0.824 17.603 23.835 569 HB3 LYS 71 HB3 LYS 71 2.067 18.623 24.540 570 HG2 LYS 71 HG2 LYS 71 1.571 15.677 25.097 571 HG3 LYS 71 HG3 LYS 71 2.902 16.419 24.239 572 HD2 LYS 71 HD2 LYS 71 3.920 15.968 26.230 573 HD3 LYS 71 HD3 LYS 71 3.402 17.631 26.535 574 HE2 LYS 71 HE2 LYS 71 1.448 16.809 27.797 575 HE3 LYS 71 HE3 LYS 71 1.802 15.142 27.332 576 HZ1 LYS 71 HZ1 LYS 71 3.524 16.832 29.061 577 HZ2 LYS 71 HZ2 LYS 71 2.554 15.616 29.563 578 HZ3 LYS 71 HZ3 LYS 71 3.849 15.292 28.632 579 H TRP 72 H TRP 72 -1.942 19.050 26.534 580 HA TRP 72 HA TRP 72 -2.523 21.291 24.909 581 HB2 TRP 72 HB2 TRP 72 -3.802 21.952 27.169 582 HB3 TRP 72 HB3 TRP 72 -4.344 20.709 26.061 583 HD1 TRP 72 HD1 TRP 72 -5.174 18.681 27.141 584 HE1 TRP 72 HE1 TRP 72 -4.897 17.442 29.343 585 HE3 TRP 72 HE3 TRP 72 -1.577 21.639 29.327 586 HZ2 TRP 72 HZ2 TRP 72 -3.282 17.637 31.732 587 HZ3 TRP 72 HZ3 TRP 72 -0.673 21.061 31.553 588 HH2 TRP 72 HH2 TRP 72 -1.518 19.069 32.770 589 H ASP 73 H ASP 73 -0.214 21.122 27.530 590 HA ASP 73 HA ASP 73 0.131 23.933 27.984 591 HB2 ASP 73 HB2 ASP 73 0.961 21.880 29.323 592 HB3 ASP 73 HB3 ASP 73 2.235 21.745 28.106 593 H ASP 74 H ASP 74 1.164 21.833 25.362 594 HA ASP 74 HA ASP 74 2.966 23.836 24.230 595 HB2 ASP 74 HB2 ASP 74 2.390 20.992 23.418 596 HB3 ASP 74 HB3 ASP 74 3.522 22.078 22.599 597 H LEU 75 H LEU 75 -0.427 23.047 23.883 598 HA LEU 75 HA LEU 75 -0.801 24.132 21.236 599 HB2 LEU 75 HB2 LEU 75 -2.443 23.619 23.670 600 HB3 LEU 75 HB3 LEU 75 -2.924 24.994 22.673 601 HG LEU 75 HG LEU 75 -4.082 22.781 22.272 602 HD11 LEU 75 HD11 LEU 75 -2.775 24.412 20.122 603 HD12 LEU 75 HD12 LEU 75 -3.875 23.103 19.711 604 HD13 LEU 75 HD13 LEU 75 -4.445 24.453 20.714 605 HD21 LEU 75 HD21 LEU 75 -2.076 21.337 22.349 606 HD22 LEU 75 HD22 LEU 75 -3.051 21.131 20.875 607 HD23 LEU 75 HD23 LEU 75 -1.548 22.053 20.813 608 H ASN 76 H ASN 76 -0.251 25.638 24.370 609 HA ASN 76 HA ASN 76 -0.378 28.380 23.674 610 HB2 ASN 76 HB2 ASN 76 0.093 28.274 25.910 611 HB3 ASN 76 HB3 ASN 76 0.710 26.646 25.761 612 HD21 ASN 76 HD21 ASN 76 4.008 27.605 26.311 613 HD22 ASN 76 HD22 ASN 76 2.794 26.320 26.272 614 H GLU 77 H GLU 77 2.276 26.065 23.284 615 HA GLU 77 HA GLU 77 4.083 27.902 22.036 616 HB2 GLU 77 HB2 GLU 77 4.709 25.693 23.159 617 HB3 GLU 77 HB3 GLU 77 4.127 24.893 21.710 618 HG2 GLU 77 HG2 GLU 77 6.406 25.009 21.370 619 HG3 GLU 77 HG3 GLU 77 5.793 26.298 20.356 620 H GLN 78 H GLN 78 1.554 25.751 20.599 621 HA GLN 78 HA GLN 78 2.360 25.962 17.935 622 HB2 GLN 78 HB2 GLN 78 0.518 24.936 17.396 623 HB3 GLN 78 HB3 GLN 78 0.178 24.803 19.106 624 HG2 GLN 78 HG2 GLN 78 -1.482 26.545 19.006 625 HG3 GLN 78 HG3 GLN 78 -0.900 27.140 17.449 626 HE21 GLN 78 HE21 GLN 78 -2.443 24.527 15.540 627 HE22 GLN 78 HE22 GLN 78 -1.011 25.556 15.542 628 H LEU 79 H LEU 79 0.558 28.307 19.773 629 HA LEU 79 HA LEU 79 0.036 30.207 17.696 630 HB2 LEU 79 HB2 LEU 79 0.471 30.714 20.646 631 HB3 LEU 79 HB3 LEU 79 -0.491 31.697 19.544 632 HG LEU 79 HG LEU 79 -1.164 28.912 20.594 633 HD11 LEU 79 HD11 LEU 79 -2.346 31.676 20.990 634 HD12 LEU 79 HD12 LEU 79 -3.111 30.181 21.551 635 HD13 LEU 79 HD13 LEU 79 -1.536 30.648 22.194 636 HD21 LEU 79 HD21 LEU 79 -3.257 29.003 19.319 637 HD22 LEU 79 HD22 LEU 79 -2.757 30.573 18.606 638 HD23 LEU 79 HD23 LEU 79 -1.899 29.074 18.226 639 H THR 80 H THR 80 2.904 29.512 19.392 640 HA THR 80 HA THR 80 4.356 32.006 18.661 641 HB THR 80 HB THR 80 4.723 29.722 20.585 642 HG1 THR 80 HG1 THR 80 3.714 31.545 21.279 643 HG21 THR 80 HG21 THR 80 6.872 29.734 19.656 644 HG22 THR 80 HG22 THR 80 6.929 31.533 19.600 645 HG23 THR 80 HG23 THR 80 6.958 30.664 21.164 646 H LEU 81 H LEU 81 4.413 28.477 18.055 647 HA LEU 81 HA LEU 81 6.818 27.833 17.089 648 HB2 LEU 81 HB2 LEU 81 4.119 27.122 15.939 649 HB3 LEU 81 HB3 LEU 81 5.596 26.435 15.287 650 HG LEU 81 HG LEU 81 4.571 26.049 18.111 651 HD11 LEU 81 HD11 LEU 81 3.383 24.820 16.324 652 HD12 LEU 81 HD12 LEU 81 4.929 24.118 15.805 653 HD13 LEU 81 HD13 LEU 81 4.260 23.749 17.410 654 HD21 LEU 81 HD21 LEU 81 6.437 24.408 18.295 655 HD22 LEU 81 HD22 LEU 81 7.120 25.072 16.795 656 HD23 LEU 81 HD23 LEU 81 6.965 26.089 18.266 657 H LEU 82 H LEU 82 4.579 28.757 14.521 658 HA LEU 82 HA LEU 82 6.740 29.036 12.663 659 HB2 LEU 82 HB2 LEU 82 4.020 30.282 12.225 660 HB3 LEU 82 HB3 LEU 82 5.131 29.695 11.018 661 HG LEU 82 HG LEU 82 3.665 27.906 12.993 662 HD11 LEU 82 HD11 LEU 82 3.030 28.521 10.083 663 HD12 LEU 82 HD12 LEU 82 2.183 27.353 11.129 664 HD13 LEU 82 HD13 LEU 82 2.104 29.075 11.500 665 HD21 LEU 82 HD21 LEU 82 5.719 26.866 12.079 666 HD22 LEU 82 HD22 LEU 82 4.252 26.077 11.499 667 HD23 LEU 82 HD23 LEU 82 5.126 27.181 10.423 668 H SER 83 H SER 83 5.909 31.263 15.030 669 HA SER 83 HA SER 83 6.920 33.636 13.553 670 HB2 SER 83 HB2 SER 83 4.892 33.822 14.961 671 HB3 SER 83 HB3 SER 83 5.856 33.399 16.387 672 HG SER 83 HG SER 83 7.156 35.255 15.909 673 H LYS 84 H LYS 84 8.111 31.143 15.704 674 HA LYS 84 HA LYS 84 10.184 32.612 17.002 675 HB2 LYS 84 HB2 LYS 84 10.173 29.661 16.212 676 HB3 LYS 84 HB3 LYS 84 11.343 30.447 17.284 677 HG2 LYS 84 HG2 LYS 84 9.313 31.235 18.667 678 HG3 LYS 84 HG3 LYS 84 8.370 30.049 17.763 679 HD2 LYS 84 HD2 LYS 84 10.866 29.416 19.409 680 HD3 LYS 84 HD3 LYS 84 9.221 29.321 20.025 681 HE2 LYS 84 HE2 LYS 84 8.667 27.615 18.274 682 HE3 LYS 84 HE3 LYS 84 10.367 27.634 17.749 683 HZ1 LYS 84 HZ1 LYS 84 9.390 26.895 20.473 684 HZ2 LYS 84 HZ2 LYS 84 9.984 25.848 19.366 685 HZ3 LYS 84 HZ3 LYS 84 10.963 26.960 20.046 686 H LYS 85 H LYS 85 12.253 33.049 16.567 687 HA LYS 85 HA LYS 85 13.955 33.959 15.430 688 HB2 LYS 85 HB2 LYS 85 14.359 31.570 14.808 689 HB3 LYS 85 HB3 LYS 85 13.523 31.861 13.277 690 HG2 LYS 85 HG2 LYS 85 15.204 33.555 12.657 691 HG3 LYS 85 HG3 LYS 85 16.016 33.350 14.225 692 HD2 LYS 85 HD2 LYS 85 16.458 30.968 13.671 693 HD3 LYS 85 HD3 LYS 85 15.694 31.185 12.092 694 HE2 LYS 85 HE2 LYS 85 18.146 32.720 13.080 695 HE3 LYS 85 HE3 LYS 85 18.215 31.273 12.079 696 HZ1 LYS 85 HZ1 LYS 85 17.009 32.470 10.347 697 HZ2 LYS 85 HZ2 LYS 85 16.950 33.827 11.260 698 HZ3 LYS 85 HZ3 LYS 85 18.379 33.254 10.733 699 H HIS 86 H HIS 86 11.089 33.598 13.407 700 HA HIS 86 HA HIS 86 11.738 35.741 11.581 701 HB2 HIS 86 HB2 HIS 86 10.084 33.896 11.187 702 HB3 HIS 86 HB3 HIS 86 9.014 34.636 12.371 703 HD2 HIS 86 HD2 HIS 86 10.717 37.130 10.011 704 HE1 HIS 86 HE1 HIS 86 6.881 36.370 8.313 705 HE2 HIS 86 HE2 HIS 86 8.962 37.827 8.181 706 H GLY 87 H GLY 87 9.809 35.693 14.569 707 HA2 GLY 87 HA2 GLY 87 9.300 37.322 16.098 708 HA3 GLY 87 HA3 GLY 87 10.707 38.194 15.489 709 H GLN 88 H GLN 88 7.985 37.601 13.337 710 HA GLN 88 HA GLN 88 7.179 40.465 13.503 711 HB2 GLN 88 HB2 GLN 88 9.028 40.158 11.905 712 HB3 GLN 88 HB3 GLN 88 8.100 38.932 11.047 713 HG2 GLN 88 HG2 GLN 88 8.121 41.078 9.861 714 HG3 GLN 88 HG3 GLN 88 6.492 40.592 10.287 715 HE21 GLN 88 HE21 GLN 88 8.054 44.018 11.906 716 HE22 GLN 88 HE22 GLN 88 9.089 42.943 10.977 717 H LEU 89 H LEU 89 5.208 41.036 12.768 718 HA LEU 89 HA LEU 89 2.975 40.934 12.606 719 HB2 LEU 89 HB2 LEU 89 4.210 40.558 10.317 720 HB3 LEU 89 HB3 LEU 89 3.395 39.009 10.325 721 HG LEU 89 HG LEU 89 2.179 41.803 10.388 722 HD11 LEU 89 HD11 LEU 89 3.053 41.006 8.210 723 HD12 LEU 89 HD12 LEU 89 2.008 39.568 8.326 724 HD13 LEU 89 HD13 LEU 89 1.295 41.194 8.187 725 HD21 LEU 89 HD21 LEU 89 -0.047 40.740 10.132 726 HD22 LEU 89 HD22 LEU 89 0.682 39.160 10.461 727 HD23 LEU 89 HD23 LEU 89 0.673 40.425 11.710 728 H LYS 90 H LYS 90 2.528 39.838 14.688 729 HA LYS 90 HA LYS 90 1.929 37.075 14.924 730 HB2 LYS 90 HB2 LYS 90 1.922 38.554 16.899 731 HB3 LYS 90 HB3 LYS 90 0.573 39.478 16.238 732 HG2 LYS 90 HG2 LYS 90 -0.159 38.100 18.073 733 HG3 LYS 90 HG3 LYS 90 -0.971 37.728 16.569 734 HD2 LYS 90 HD2 LYS 90 -0.671 35.671 17.584 735 HD3 LYS 90 HD3 LYS 90 0.526 35.697 16.332 736 HE2 LYS 90 HE2 LYS 90 1.004 36.158 19.312 737 HE3 LYS 90 HE3 LYS 90 1.269 34.640 18.469 738 HZ1 LYS 90 HZ1 LYS 90 3.375 35.761 18.734 739 HZ2 LYS 90 HZ2 LYS 90 3.050 35.734 17.156 740 HZ3 LYS 90 HZ3 LYS 90 2.870 37.126 18.011 741 H LEU 91 H LEU 91 -0.126 39.601 13.457 742 HA LEU 91 HA LEU 91 -2.457 38.092 13.341 743 HB2 LEU 91 HB2 LEU 91 -1.565 40.600 12.310 744 HB3 LEU 91 HB3 LEU 91 -2.296 39.734 10.971 745 HG LEU 91 HG LEU 91 -3.896 41.169 12.051 746 HD11 LEU 91 HD11 LEU 91 -4.605 38.291 12.750 747 HD12 LEU 91 HD12 LEU 91 -5.722 39.643 12.488 748 HD13 LEU 91 HD13 LEU 91 -4.746 39.030 11.143 749 HD21 LEU 91 HD21 LEU 91 -2.906 41.242 14.317 750 HD22 LEU 91 HD22 LEU 91 -4.648 40.907 14.348 751 HD23 LEU 91 HD23 LEU 91 -3.490 39.592 14.629 752 H SER 92 H SER 92 0.350 37.276 11.766 753 HA SER 92 HA SER 92 -0.854 35.792 9.508 754 HB2 SER 92 HB2 SER 92 1.326 36.941 9.233 755 HB3 SER 92 HB3 SER 92 2.007 35.942 10.525 756 HG SER 92 HG SER 92 1.100 35.141 7.962 757 H ILE 93 H ILE 93 0.821 35.058 12.624 758 HA ILE 93 HA ILE 93 0.148 32.177 12.338 759 HB ILE 93 HB ILE 93 2.374 32.920 13.140 760 HG12 ILE 93 HG12 ILE 93 0.785 31.119 15.048 761 HG13 ILE 93 HG13 ILE 93 1.366 30.644 13.448 762 HG21 ILE 93 HG21 ILE 93 1.663 34.750 14.613 763 HG22 ILE 93 HG22 ILE 93 0.944 33.544 15.738 764 HG23 ILE 93 HG23 ILE 93 2.688 33.573 15.443 765 HD11 ILE 93 HD11 ILE 93 3.684 31.184 14.212 766 HD12 ILE 93 HD12 ILE 93 3.057 31.361 15.855 767 HD13 ILE 93 HD13 ILE 93 2.907 29.802 15.036 768 H GLN 94 H GLN 94 -1.182 35.005 13.807 769 HA GLN 94 HA GLN 94 -2.628 34.082 15.961 770 HB2 GLN 94 HB2 GLN 94 -2.470 36.345 15.501 771 HB3 GLN 94 HB3 GLN 94 -3.131 36.136 13.855 772 HG2 GLN 94 HG2 GLN 94 -4.676 37.329 15.154 773 HG3 GLN 94 HG3 GLN 94 -5.367 35.752 14.815 774 HE21 GLN 94 HE21 GLN 94 -6.180 36.294 18.349 775 HE22 GLN 94 HE22 GLN 94 -6.756 36.726 16.741 776 H TYR 95 H TYR 95 -3.367 33.574 12.525 777 HA TYR 95 HA TYR 95 -6.013 32.537 12.746 778 HB2 TYR 95 HB2 TYR 95 -4.901 33.188 10.635 779 HB3 TYR 95 HB3 TYR 95 -3.783 31.839 10.798 780 HD1 TYR 95 HD1 TYR 95 -7.502 32.521 10.724 781 HD2 TYR 95 HD2 TYR 95 -4.282 29.874 9.594 782 HE1 TYR 95 HE1 TYR 95 -9.119 31.072 9.500 783 HE2 TYR 95 HE2 TYR 95 -5.907 28.429 8.375 784 HH TYR 95 HH TYR 95 -9.393 29.210 8.239 785 H MET 96 H MET 96 -2.925 30.993 13.562 786 HA MET 96 HA MET 96 -3.865 28.264 13.812 787 HB2 MET 96 HB2 MET 96 -1.745 29.731 15.408 788 HB3 MET 96 HB3 MET 96 -1.924 27.989 15.286 789 HG2 MET 96 HG2 MET 96 -1.134 29.833 12.992 790 HG3 MET 96 HG3 MET 96 -0.068 28.810 13.936 791 HE1 MET 96 HE1 MET 96 -3.407 28.452 11.621 792 HE2 MET 96 HE2 MET 96 -2.034 29.182 10.754 793 HE3 MET 96 HE3 MET 96 -2.598 27.558 10.324 794 H ILE 97 H ILE 97 -4.269 31.142 15.817 795 HA ILE 97 HA ILE 97 -5.009 29.745 18.189 796 HB ILE 97 HB ILE 97 -4.613 32.374 17.652 797 HG12 ILE 97 HG12 ILE 97 -6.292 31.592 20.049 798 HG13 ILE 97 HG13 ILE 97 -4.667 30.965 19.855 799 HG21 ILE 97 HG21 ILE 97 -6.656 33.651 18.025 800 HG22 ILE 97 HG22 ILE 97 -6.944 32.600 16.638 801 HG23 ILE 97 HG23 ILE 97 -7.606 32.171 18.231 802 HD11 ILE 97 HD11 ILE 97 -4.512 32.850 21.208 803 HD12 ILE 97 HD12 ILE 97 -3.786 33.302 19.632 804 HD13 ILE 97 HD13 ILE 97 -5.410 33.886 20.053 805 H GLN 98 H GLN 98 -6.794 30.076 15.224 806 HA GLN 98 HA GLN 98 -9.377 29.550 16.291 807 HB2 GLN 98 HB2 GLN 98 -8.799 30.311 13.992 808 HB3 GLN 98 HB3 GLN 98 -8.217 28.700 13.603 809 HG2 GLN 98 HG2 GLN 98 -11.022 29.084 14.710 810 HG3 GLN 98 HG3 GLN 98 -10.696 29.509 13.037 811 HE21 GLN 98 HE21 GLN 98 -11.978 26.045 12.978 812 HE22 GLN 98 HE22 GLN 98 -12.606 27.610 13.473 813 H LYS 99 H LYS 99 -6.582 27.499 16.021 814 HA LYS 99 HA LYS 99 -8.030 25.008 16.697 815 HB2 LYS 99 HB2 LYS 99 -5.054 25.600 16.449 816 HB3 LYS 99 HB3 LYS 99 -5.731 24.026 16.736 817 HG2 LYS 99 HG2 LYS 99 -6.001 25.752 14.240 818 HG3 LYS 99 HG3 LYS 99 -5.175 24.208 14.409 819 HD2 LYS 99 HD2 LYS 99 -7.350 23.065 14.781 820 HD3 LYS 99 HD3 LYS 99 -8.210 24.596 14.621 821 HE2 LYS 99 HE2 LYS 99 -6.569 23.292 12.414 822 HE3 LYS 99 HE3 LYS 99 -8.311 23.171 12.600 823 HZ1 LYS 99 HZ1 LYS 99 -6.834 25.700 12.062 824 HZ2 LYS 99 HZ2 LYS 99 -7.823 24.905 11.039 825 HZ3 LYS 99 HZ3 LYS 99 -8.442 25.610 12.367 826 H VAL 100 H VAL 100 -5.729 27.255 18.498 827 HA VAL 100 HA VAL 100 -6.179 25.935 20.968 828 HB VAL 100 HB VAL 100 -5.318 28.582 20.005 829 HG11 VAL 100 HG11 VAL 100 -6.967 29.540 21.486 830 HG12 VAL 100 HG12 VAL 100 -6.311 28.610 22.856 831 HG13 VAL 100 HG13 VAL 100 -5.335 29.857 22.043 832 HG21 VAL 100 HG21 VAL 100 -3.754 26.806 20.624 833 HG22 VAL 100 HG22 VAL 100 -3.546 28.105 21.807 834 HG23 VAL 100 HG23 VAL 100 -4.475 26.672 22.233 835 H MET 101 H MET 101 -8.184 28.381 19.440 836 HA MET 101 HA MET 101 -10.241 28.452 21.396 837 HB2 MET 101 HB2 MET 101 -10.206 29.151 18.463 838 HB3 MET 101 HB3 MET 101 -11.604 29.424 19.522 839 HG2 MET 101 HG2 MET 101 -10.011 30.696 21.062 840 HG3 MET 101 HG3 MET 101 -8.870 30.702 19.725 841 HE1 MET 101 HE1 MET 101 -11.195 31.029 17.239 842 HE2 MET 101 HE2 MET 101 -10.972 32.772 17.011 843 HE3 MET 101 HE3 MET 101 -9.557 31.726 17.263 844 H GLU 102 H GLU 102 -9.445 25.777 19.547 845 HA GLU 102 HA GLU 102 -12.141 24.784 19.199 846 HB2 GLU 102 HB2 GLU 102 -10.264 24.273 17.598 847 HB3 GLU 102 HB3 GLU 102 -9.590 23.218 18.837 848 HG2 GLU 102 HG2 GLU 102 -10.731 21.780 17.428 849 HG3 GLU 102 HG3 GLU 102 -11.807 21.948 18.812 850 H TYR 103 H TYR 103 -9.608 22.851 20.817 851 HA TYR 103 HA TYR 103 -11.722 22.010 22.729 852 HB2 TYR 103 HB2 TYR 103 -9.234 20.514 21.839 853 HB3 TYR 103 HB3 TYR 103 -10.466 19.905 22.929 854 HD1 TYR 103 HD1 TYR 103 -12.999 20.127 21.887 855 HD2 TYR 103 HD2 TYR 103 -9.331 19.674 19.655 856 HE1 TYR 103 HE1 TYR 103 -14.277 19.180 19.974 857 HE2 TYR 103 HE2 TYR 103 -10.612 18.716 17.755 858 HH TYR 103 HH TYR 103 -14.165 18.316 17.875 859 H LEU 104 H LEU 104 -8.365 22.980 22.572 860 HA LEU 104 HA LEU 104 -7.617 22.905 25.301 861 HB2 LEU 104 HB2 LEU 104 -6.121 23.071 23.433 862 HB3 LEU 104 HB3 LEU 104 -6.887 24.509 22.821 863 HG LEU 104 HG LEU 104 -4.673 24.852 23.702 864 HD11 LEU 104 HD11 LEU 104 -5.062 26.954 24.582 865 HD12 LEU 104 HD12 LEU 104 -6.633 26.623 23.841 866 HD13 LEU 104 HD13 LEU 104 -6.419 26.438 25.589 867 HD21 LEU 104 HD21 LEU 104 -5.793 24.264 26.468 868 HD22 LEU 104 HD22 LEU 104 -4.685 23.239 25.530 869 HD23 LEU 104 HD23 LEU 104 -4.154 24.834 26.076 870 H LYS 105 H LYS 105 -9.656 25.119 23.530 871 HA LYS 105 HA LYS 105 -9.753 27.389 25.181 872 HB2 LYS 105 HB2 LYS 105 -10.584 26.970 22.816 873 HB3 LYS 105 HB3 LYS 105 -11.952 26.127 23.454 874 HG2 LYS 105 HG2 LYS 105 -12.483 28.398 22.762 875 HG3 LYS 105 HG3 LYS 105 -12.802 28.175 24.483 876 HD2 LYS 105 HD2 LYS 105 -10.896 29.456 25.123 877 HD3 LYS 105 HD3 LYS 105 -10.193 29.394 23.489 878 HE2 LYS 105 HE2 LYS 105 -11.994 30.763 22.585 879 HE3 LYS 105 HE3 LYS 105 -12.865 30.714 24.124 880 HZ1 LYS 105 HZ1 LYS 105 -10.242 32.059 23.733 881 HZ2 LYS 105 HZ2 LYS 105 -11.682 32.803 23.799 882 HZ3 LYS 105 HZ3 LYS 105 -11.120 32.047 25.117 883 H SER 106 H SER 106 -11.884 24.572 25.184 884 HA SER 106 HA SER 106 -12.573 24.824 27.981 885 HB2 SER 106 HB2 SER 106 -14.011 26.593 27.039 886 HB3 SER 106 HB3 SER 106 -14.669 25.433 25.870 887 HG SER 106 HG SER 106 -16.006 25.724 27.732 888 H SER 107 H SER 107 -12.816 22.807 28.697 889 HA SER 107 HA SER 107 -14.647 20.920 27.576 890 HB2 SER 107 HB2 SER 107 -12.702 20.407 26.117 891 HB3 SER 107 HB3 SER 107 -11.680 20.283 27.558 892 HG SER 107 HG SER 107 -12.199 18.233 27.186 893 H LYS 108 H LYS 108 -14.975 19.131 29.093 894 HA LYS 108 HA LYS 108 -14.367 19.621 31.903 895 HB2 LYS 108 HB2 LYS 108 -15.366 17.128 30.451 896 HB3 LYS 108 HB3 LYS 108 -15.235 17.294 32.207 897 HG2 LYS 108 HG2 LYS 108 -16.823 19.208 32.166 898 HG3 LYS 108 HG3 LYS 108 -16.970 19.046 30.414 899 HD2 LYS 108 HD2 LYS 108 -18.881 18.012 31.418 900 HD3 LYS 108 HD3 LYS 108 -17.874 16.742 30.710 901 HE2 LYS 108 HE2 LYS 108 -16.949 16.221 32.965 902 HE3 LYS 108 HE3 LYS 108 -17.913 17.528 33.665 903 HZ1 LYS 108 HZ1 LYS 108 -18.996 15.372 33.935 904 HZ2 LYS 108 HZ2 LYS 108 -19.913 16.320 32.983 905 HZ3 LYS 108 HZ3 LYS 108 -19.023 15.121 32.330 906 H SER 109 H SER 109 -12.515 18.253 29.343 907 HA SER 109 HA SER 109 -10.717 16.812 31.114 908 HB2 SER 109 HB2 SER 109 -9.624 16.039 29.034 909 HB3 SER 109 HB3 SER 109 -11.365 15.729 29.015 910 HG SER 109 HG SER 109 -10.314 16.712 27.091 911 H LEU 110 H LEU 110 -10.906 19.810 31.002 912 HA LEU 110 HA LEU 110 -8.004 20.243 31.158 913 HB2 LEU 110 HB2 LEU 110 -10.020 22.256 30.070 914 HB3 LEU 110 HB3 LEU 110 -8.480 22.747 30.759 915 HG LEU 110 HG LEU 110 -8.075 22.848 28.540 916 HD11 LEU 110 HD11 LEU 110 -6.310 21.364 28.136 917 HD12 LEU 110 HD12 LEU 110 -6.441 21.446 29.915 918 HD13 LEU 110 HD13 LEU 110 -7.071 20.043 29.043 919 HD21 LEU 110 HD21 LEU 110 -10.006 21.727 27.621 920 HD22 LEU 110 HD22 LEU 110 -8.533 21.132 26.854 921 HD23 LEU 110 HD23 LEU 110 -9.341 20.133 28.077 922 H ASP 111 H ASP 111 -7.235 21.490 32.742 923 HA ASP 111 HA ASP 111 -9.021 22.206 34.984 924 HB2 ASP 111 HB2 ASP 111 -6.026 21.691 34.986 925 HB3 ASP 111 HB3 ASP 111 -6.976 22.200 36.380 926 H LEU 112 H LEU 112 -8.647 24.304 35.963 927 HA LEU 112 HA LEU 112 -8.071 26.542 34.337 928 HB2 LEU 112 HB2 LEU 112 -7.657 26.104 37.323 929 HB3 LEU 112 HB3 LEU 112 -7.507 27.669 36.561 930 HG LEU 112 HG LEU 112 -10.067 26.036 36.326 931 HD11 LEU 112 HD11 LEU 112 -9.331 28.119 38.425 932 HD12 LEU 112 HD12 LEU 112 -10.939 27.376 38.210 933 HD13 LEU 112 HD13 LEU 112 -9.555 26.379 38.706 934 HD21 LEU 112 HD21 LEU 112 -9.809 27.885 34.714 935 HD22 LEU 112 HD22 LEU 112 -11.078 28.245 35.894 936 HD23 LEU 112 HD23 LEU 112 -9.481 29.011 36.050 937 H ASN 113 H ASN 113 -5.864 24.636 36.335 938 HA ASN 113 HA ASN 113 -3.645 26.315 36.082 939 HB2 ASN 113 HB2 ASN 113 -3.608 23.258 36.277 940 HB3 ASN 113 HB3 ASN 113 -2.353 24.351 36.872 941 HD21 ASN 113 HD21 ASN 113 -4.182 25.138 39.864 942 HD22 ASN 113 HD22 ASN 113 -2.852 25.636 38.824 943 H THR 114 H THR 114 -4.897 23.943 33.749 944 HA THR 114 HA THR 114 -2.592 24.100 31.937 945 HB THR 114 HB THR 114 -5.462 23.142 31.620 946 HG1 THR 114 HG1 THR 114 -3.232 21.490 31.417 947 HG21 THR 114 HG21 THR 114 -3.202 23.398 29.660 948 HG22 THR 114 HG22 THR 114 -4.414 22.109 29.494 949 HG23 THR 114 HG23 THR 114 -4.933 23.804 29.511 950 H ARG 115 H ARG 115 -5.978 25.256 31.928 951 HA ARG 115 HA ARG 115 -6.059 26.912 29.732 952 HB2 ARG 115 HB2 ARG 115 -7.864 26.380 31.598 953 HB3 ARG 115 HB3 ARG 115 -7.216 27.777 32.439 954 HG2 ARG 115 HG2 ARG 115 -9.047 28.591 31.170 955 HG3 ARG 115 HG3 ARG 115 -7.604 29.151 30.306 956 HD2 ARG 115 HD2 ARG 115 -8.381 26.430 29.497 957 HD3 ARG 115 HD3 ARG 115 -9.768 27.504 29.348 958 HE ARG 115 HE ARG 115 -7.582 27.310 27.553 959 HH11 ARG 115 HH11 ARG 115 -9.759 29.722 28.835 960 HH12 ARG 115 HH12 ARG 115 -9.461 30.827 27.530 961 HH21 ARG 115 HH21 ARG 115 -7.166 28.828 25.952 962 HH22 ARG 115 HH22 ARG 115 -8.035 30.324 25.953 963 H ILE 116 H ILE 116 -5.031 27.848 32.873 964 HA ILE 116 HA ILE 116 -4.397 30.532 32.538 965 HB ILE 116 HB ILE 116 -3.532 28.359 34.388 966 HG12 ILE 116 HG12 ILE 116 -4.785 31.127 34.819 967 HG13 ILE 116 HG13 ILE 116 -5.719 29.693 34.435 968 HG21 ILE 116 HG21 ILE 116 -2.196 31.077 34.454 969 HG22 ILE 116 HG22 ILE 116 -2.156 29.877 35.767 970 HG23 ILE 116 HG23 ILE 116 -1.440 29.475 34.210 971 HD11 ILE 116 HD11 ILE 116 -5.843 30.029 36.811 972 HD12 ILE 116 HD12 ILE 116 -4.865 28.582 36.522 973 HD13 ILE 116 HD13 ILE 116 -4.084 30.116 36.968 974 H SER 117 H SER 117 -2.351 27.782 31.823 975 HA SER 117 HA SER 117 0.150 29.145 31.572 976 HB2 SER 117 HB2 SER 117 -0.099 26.682 31.912 977 HB3 SER 117 HB3 SER 117 -0.728 26.544 30.253 978 HG SER 117 HG SER 117 1.447 26.110 30.181 979 H VAL 118 H VAL 118 -2.498 28.565 29.378 980 HA VAL 118 HA VAL 118 -1.090 29.815 27.099 981 HB VAL 118 HB VAL 118 -2.071 27.716 26.660 982 HG11 VAL 118 HG11 VAL 118 -4.405 27.179 26.752 983 HG12 VAL 118 HG12 VAL 118 -3.801 27.574 28.350 984 HG13 VAL 118 HG13 VAL 118 -4.793 28.768 27.453 985 HG21 VAL 118 HG21 VAL 118 -3.838 29.830 25.328 986 HG22 VAL 118 HG22 VAL 118 -2.136 29.581 24.920 987 HG23 VAL 118 HG23 VAL 118 -3.285 28.274 24.652 988 H ILE 119 H ILE 119 -4.225 30.398 28.973 989 HA ILE 119 HA ILE 119 -4.887 32.628 27.524 990 HB ILE 119 HB ILE 119 -6.095 31.170 29.300 991 HG12 ILE 119 HG12 ILE 119 -7.719 32.823 29.865 992 HG13 ILE 119 HG13 ILE 119 -6.608 34.154 29.462 993 HG21 ILE 119 HG21 ILE 119 -6.057 31.587 31.491 994 HG22 ILE 119 HG22 ILE 119 -4.356 31.813 31.014 995 HG23 ILE 119 HG23 ILE 119 -5.354 33.240 31.321 996 HD11 ILE 119 HD11 ILE 119 -7.365 32.060 27.417 997 HD12 ILE 119 HD12 ILE 119 -8.409 33.487 27.705 998 HD13 ILE 119 HD13 ILE 119 -6.742 33.700 27.140 999 H GLU 120 H GLU 120 -2.455 32.465 30.097 1000 HA GLU 120 HA GLU 120 -1.998 35.335 30.069 1001 HB2 GLU 120 HB2 GLU 120 -0.571 32.967 31.315 1002 HB3 GLU 120 HB3 GLU 120 0.134 34.600 31.305 1003 HG2 GLU 120 HG2 GLU 120 -1.943 35.508 32.325 1004 HG3 GLU 120 HG3 GLU 120 -2.595 33.873 32.450 1005 H THR 121 H THR 121 -0.512 32.538 28.430 1006 HA THR 121 HA THR 121 1.713 33.823 27.288 1007 HB THR 121 HB THR 121 0.773 31.297 27.148 1008 HG1 THR 121 HG1 THR 121 2.449 30.976 25.750 1009 HG21 THR 121 HG21 THR 121 0.265 30.564 24.949 1010 HG22 THR 121 HG22 THR 121 -0.878 31.870 25.206 1011 HG23 THR 121 HG23 THR 121 0.566 32.164 24.243 1012 H ILE 122 H ILE 122 -1.618 33.687 26.041 1013 HA ILE 122 HA ILE 122 -1.024 35.207 23.661 1014 HB ILE 122 HB ILE 122 -2.728 33.596 23.688 1015 HG12 ILE 122 HG12 ILE 122 -3.045 35.434 22.114 1016 HG13 ILE 122 HG13 ILE 122 -4.492 34.569 22.577 1017 HG21 ILE 122 HG21 ILE 122 -4.885 33.853 24.866 1018 HG22 ILE 122 HG22 ILE 122 -3.491 33.562 25.892 1019 HG23 ILE 122 HG23 ILE 122 -4.183 35.197 25.802 1020 HD11 ILE 122 HD11 ILE 122 -5.228 36.420 24.034 1021 HD12 ILE 122 HD12 ILE 122 -3.817 37.373 23.534 1022 HD13 ILE 122 HD13 ILE 122 -5.029 36.902 22.345 1023 H ARG 123 H ARG 123 -2.262 36.105 26.879 1024 HA ARG 123 HA ARG 123 -2.660 38.898 26.410 1025 HB2 ARG 123 HB2 ARG 123 -3.453 37.553 28.381 1026 HB3 ARG 123 HB3 ARG 123 -1.806 37.506 29.007 1027 HG2 ARG 123 HG2 ARG 123 -1.783 39.971 29.195 1028 HG3 ARG 123 HG3 ARG 123 -3.404 40.050 28.476 1029 HD2 ARG 123 HD2 ARG 123 -4.305 38.717 30.381 1030 HD3 ARG 123 HD3 ARG 123 -2.683 38.616 31.071 1031 HE ARG 123 HE ARG 123 -2.799 40.833 31.789 1032 HH11 ARG 123 HH11 ARG 123 -5.669 40.232 29.840 1033 HH12 ARG 123 HH12 ARG 123 -6.416 41.717 30.374 1034 HH21 ARG 123 HH21 ARG 123 -3.823 42.669 32.397 1035 HH22 ARG 123 HH22 ARG 123 -5.409 43.041 31.768 1036 H VAL 124 H VAL 124 0.302 37.105 27.203 1037 HA VAL 124 HA VAL 124 2.002 39.462 27.245 1038 HB VAL 124 HB VAL 124 2.642 36.493 27.165 1039 HG11 VAL 124 HG11 VAL 124 4.907 37.139 27.934 1040 HG12 VAL 124 HG12 VAL 124 4.583 37.725 26.308 1041 HG13 VAL 124 HG13 VAL 124 4.502 38.850 27.683 1042 HG21 VAL 124 HG21 VAL 124 1.516 37.219 29.265 1043 HG22 VAL 124 HG22 VAL 124 3.180 36.736 29.530 1044 HG23 VAL 124 HG23 VAL 124 2.756 38.466 29.486 1045 H VAL 125 H VAL 125 1.886 36.697 24.946 1046 HA VAL 125 HA VAL 125 3.841 37.948 23.292 1047 HB VAL 125 HB VAL 125 3.365 35.454 23.683 1048 HG11 VAL 125 HG11 VAL 125 0.990 35.465 22.874 1049 HG12 VAL 125 HG12 VAL 125 1.580 35.787 21.239 1050 HG13 VAL 125 HG13 VAL 125 2.023 34.280 22.067 1051 HG21 VAL 125 HG21 VAL 125 5.150 36.214 22.252 1052 HG22 VAL 125 HG22 VAL 125 4.337 34.837 21.489 1053 HG23 VAL 125 HG23 VAL 125 4.035 36.493 20.907 1054 H THR 126 H THR 126 0.326 38.201 23.136 1055 HA THR 126 HA THR 126 0.430 39.219 20.367 1056 HB THR 126 HB THR 126 -1.894 39.712 20.511 1057 HG1 THR 126 HG1 THR 126 -1.865 38.749 23.165 1058 HG21 THR 126 HG21 THR 126 -2.832 37.496 20.921 1059 HG22 THR 126 HG22 THR 126 -1.334 37.398 19.995 1060 HG23 THR 126 HG23 THR 126 -1.327 36.977 21.713 1061 H GLU 127 H GLU 127 1.365 40.723 23.251 1062 HA GLU 127 HA GLU 127 0.497 43.407 22.517 1063 HB2 GLU 127 HB2 GLU 127 2.732 42.434 24.321 1064 HB3 GLU 127 HB3 GLU 127 2.361 44.135 24.078 1065 HG2 GLU 127 HG2 GLU 127 0.291 42.149 25.098 1066 HG3 GLU 127 HG3 GLU 127 1.391 43.025 26.153 1067 H ASN 128 H ASN 128 2.653 41.294 21.101 1068 HA ASN 128 HA ASN 128 4.253 43.275 19.635 1069 HB2 ASN 128 HB2 ASN 128 3.872 40.261 19.318 1070 HB3 ASN 128 HB3 ASN 128 5.053 41.243 18.440 1071 HD21 ASN 128 HD21 ASN 128 5.855 40.089 22.270 1072 HD22 ASN 128 HD22 ASN 128 4.361 39.616 21.460 1073 H LYS 129 H LYS 129 2.049 44.340 19.374 1074 HA LYS 129 HA LYS 129 -0.063 43.255 17.798 1075 HB2 LYS 129 HB2 LYS 129 0.610 46.092 18.695 1076 HB3 LYS 129 HB3 LYS 129 -0.918 45.680 17.935 1077 HG2 LYS 129 HG2 LYS 129 -0.019 44.304 20.483 1078 HG3 LYS 129 HG3 LYS 129 -0.844 45.860 20.494 1079 HD2 LYS 129 HD2 LYS 129 -2.797 44.925 19.384 1080 HD3 LYS 129 HD3 LYS 129 -1.979 43.383 19.138 1081 HE2 LYS 129 HE2 LYS 129 -3.618 43.259 20.949 1082 HE3 LYS 129 HE3 LYS 129 -1.993 42.878 21.505 1083 HZ1 LYS 129 HZ1 LYS 129 -3.128 45.589 21.862 1084 HZ2 LYS 129 HZ2 LYS 129 -3.394 44.402 22.937 1085 HZ3 LYS 129 HZ3 LYS 129 -1.877 44.894 22.689 1086 H ILE 130 H ILE 130 2.786 44.476 16.629 1087 HA ILE 130 HA ILE 130 2.135 46.124 14.503 1088 HB ILE 130 HB ILE 130 4.256 45.255 13.414 1089 HG12 ILE 130 HG12 ILE 130 4.383 43.568 15.967 1090 HG13 ILE 130 HG13 ILE 130 4.359 42.997 14.303 1091 HG21 ILE 130 HG21 ILE 130 5.648 46.491 14.931 1092 HG22 ILE 130 HG22 ILE 130 4.075 47.263 14.853 1093 HG23 ILE 130 HG23 ILE 130 4.492 46.270 16.269 1094 HD11 ILE 130 HD11 ILE 130 6.594 44.192 13.978 1095 HD12 ILE 130 HD12 ILE 130 6.612 44.452 15.736 1096 HD13 ILE 130 HD13 ILE 130 6.602 42.808 15.086 1097 H PHE 131 H PHE 131 1.665 46.049 12.494 1098 HA PHE 131 HA PHE 131 0.796 43.542 11.193 1099 HB2 PHE 131 HB2 PHE 131 0.005 46.388 10.518 1100 HB3 PHE 131 HB3 PHE 131 -0.665 44.926 9.823 1101 HD1 PHE 131 HD1 PHE 131 -2.037 43.347 11.288 1102 HD2 PHE 131 HD2 PHE 131 -0.921 47.331 12.515 1103 HE1 PHE 131 HE1 PHE 131 -3.861 43.346 12.984 1104 HE2 PHE 131 HE2 PHE 131 -2.743 47.324 14.201 1105 HZ PHE 131 HZ PHE 131 -4.208 45.326 14.442 1106 H VAL 132 H VAL 132 3.318 45.649 11.161 1107 HA VAL 132 HA VAL 132 4.787 46.626 9.879 1108 HB VAL 132 HB VAL 132 5.897 44.773 10.168 1109 HG11 VAL 132 HG11 VAL 132 4.281 43.347 8.025 1110 HG12 VAL 132 HG12 VAL 132 5.707 42.656 8.837 1111 HG13 VAL 132 HG13 VAL 132 4.266 43.053 9.786 1112 HG21 VAL 132 HG21 VAL 132 7.287 44.340 8.237 1113 HG22 VAL 132 HG22 VAL 132 6.079 45.061 7.157 1114 HG23 VAL 132 HG23 VAL 132 6.922 46.062 8.368 1115 H GLU 133 H GLU 133 5.375 47.868 8.335 1116 HA GLU 133 HA GLU 133 3.244 48.642 6.559 1117 HB2 GLU 133 HB2 GLU 133 5.946 49.957 6.993 1118 HB3 GLU 133 HB3 GLU 133 4.552 50.673 6.187 1119 HG2 GLU 133 HG2 GLU 133 4.917 50.067 9.114 1120 HG3 GLU 133 HG3 GLU 133 4.629 51.618 8.314 1121 H VAL 134 H VAL 134 3.953 49.727 4.428 1122 HA VAL 134 HA VAL 134 5.516 47.955 2.687 1123 HB VAL 134 HB VAL 134 3.699 47.868 1.074 1124 HG11 VAL 134 HG11 VAL 134 4.149 45.977 2.571 1125 HG12 VAL 134 HG12 VAL 134 2.941 46.601 3.717 1126 HG13 VAL 134 HG13 VAL 134 2.446 46.088 2.092 1127 HG21 VAL 134 HG21 VAL 134 2.274 49.776 1.848 1128 HG22 VAL 134 HG22 VAL 134 1.387 48.259 1.705 1129 HG23 VAL 134 HG23 VAL 134 1.865 48.849 3.304 1130 H GLU 135 H GLU 135 3.980 49.601 0.791 1131 HA GLU 135 HA GLU 135 6.181 51.141 -0.146 1132 HB2 GLU 135 HB2 GLU 135 3.344 51.147 -1.228 1133 HB3 GLU 135 HB3 GLU 135 4.806 51.590 -2.106 1134 HG2 GLU 135 HG2 GLU 135 4.014 48.825 -1.126 1135 HG3 GLU 135 HG3 GLU 135 4.042 49.396 -2.789 1136 H ARG 136 H ARG 136 5.497 52.347 2.300 1137 HA ARG 136 HA ARG 136 4.144 54.924 1.829 1138 HB2 ARG 136 HB2 ARG 136 5.760 53.903 4.207 1139 HB3 ARG 136 HB3 ARG 136 4.893 55.442 4.140 1140 HG2 ARG 136 HG2 ARG 136 2.753 54.168 3.717 1141 HG3 ARG 136 HG3 ARG 136 3.653 52.664 4.001 1142 HD2 ARG 136 HD2 ARG 136 4.314 53.534 6.258 1143 HD3 ARG 136 HD3 ARG 136 3.309 54.962 5.985 1144 HE ARG 136 HE ARG 136 2.418 52.236 6.658 1145 HH11 ARG 136 HH11 ARG 136 1.218 55.323 5.443 1146 HH12 ARG 136 HH12 ARG 136 -0.418 54.878 5.863 1147 HH21 ARG 136 HH21 ARG 136 0.460 51.817 7.153 1148 HH22 ARG 136 HH22 ARG 136 -0.855 52.942 6.810 Start of MODEL 14 1 H1 MET 1 H1 MET 1 5.251 17.936 -22.184 2 H2 MET 1 H2 MET 1 6.167 17.491 -20.908 3 H3 MET 1 H3 MET 1 5.002 18.638 -20.728 4 HA MET 1 HA MET 1 6.170 20.122 -22.209 5 HB2 MET 1 HB2 MET 1 6.556 20.352 -19.799 6 HB3 MET 1 HB3 MET 1 7.831 19.134 -19.852 7 HG2 MET 1 HG2 MET 1 8.700 21.442 -19.768 8 HG3 MET 1 HG3 MET 1 9.249 20.576 -21.190 9 HE1 MET 1 HE1 MET 1 10.067 22.872 -22.296 10 HE2 MET 1 HE2 MET 1 9.037 24.316 -22.408 11 HE3 MET 1 HE3 MET 1 9.530 23.705 -20.815 12 H SER 2 H SER 2 7.827 20.496 -23.703 13 HA SER 2 HA SER 2 8.496 18.281 -25.292 14 HB2 SER 2 HB2 SER 2 9.726 19.911 -26.662 15 HB3 SER 2 HB3 SER 2 8.154 20.536 -26.149 16 HG SER 2 HG SER 2 9.829 22.066 -25.873 17 H ARG 3 H ARG 3 10.346 19.503 -22.637 18 HA ARG 3 HA ARG 3 12.929 18.376 -23.425 19 HB2 ARG 3 HB2 ARG 3 11.872 19.186 -20.673 20 HB3 ARG 3 HB3 ARG 3 13.550 18.814 -21.056 21 HG2 ARG 3 HG2 ARG 3 11.956 21.171 -22.164 22 HG3 ARG 3 HG3 ARG 3 13.168 21.222 -20.886 23 HD2 ARG 3 HD2 ARG 3 14.893 20.413 -22.526 24 HD3 ARG 3 HD3 ARG 3 13.665 20.456 -23.792 25 HE ARG 3 HE ARG 3 13.724 22.792 -23.835 26 HH11 ARG 3 HH11 ARG 3 14.649 24.769 -23.515 27 HH12 ARG 3 HH12 ARG 3 15.871 24.968 -22.287 28 HH21 ARG 3 HH21 ARG 3 16.504 23.329 -21.031 29 HH22 ARG 3 HH22 ARG 3 15.822 21.728 -21.213 30 H ASP 4 H ASP 4 10.090 16.810 -22.475 31 HA ASP 4 HA ASP 4 9.564 14.752 -21.723 32 HB2 ASP 4 HB2 ASP 4 12.189 13.952 -23.020 33 HB3 ASP 4 HB3 ASP 4 10.856 12.875 -22.620 34 H ALA 5 H ALA 5 10.930 16.359 -19.725 35 HA ALA 5 HA ALA 5 12.438 14.619 -18.004 36 HB1 ALA 5 HB1 ALA 5 11.925 16.309 -16.277 37 HB2 ALA 5 HB2 ALA 5 12.487 17.068 -17.781 38 HB3 ALA 5 HB3 ALA 5 10.758 17.079 -17.371 39 HA PRO 6 HA PRO 6 8.946 12.086 -16.898 40 HB2 PRO 6 HB2 PRO 6 10.025 10.446 -15.020 41 HB3 PRO 6 HB3 PRO 6 10.609 10.439 -16.709 42 HG2 PRO 6 HG2 PRO 6 11.799 11.909 -14.331 43 HG3 PRO 6 HG3 PRO 6 12.644 10.864 -15.521 44 HD2 PRO 6 HD2 PRO 6 12.525 13.612 -15.722 45 HD3 PRO 6 HD3 PRO 6 12.600 12.536 -17.159 46 H ILE 7 H ILE 7 7.510 11.522 -15.072 47 HA ILE 7 HA ILE 7 7.268 13.613 -13.056 48 HB ILE 7 HB ILE 7 5.584 11.159 -13.677 49 HG12 ILE 7 HG12 ILE 7 4.302 13.837 -13.884 50 HG13 ILE 7 HG13 ILE 7 5.655 13.661 -14.991 51 HG21 ILE 7 HG21 ILE 7 5.038 13.304 -11.578 52 HG22 ILE 7 HG22 ILE 7 3.858 12.112 -12.139 53 HG23 ILE 7 HG23 ILE 7 5.288 11.572 -11.276 54 HD11 ILE 7 HD11 ILE 7 3.321 11.717 -14.796 55 HD12 ILE 7 HD12 ILE 7 3.573 12.939 -16.062 56 HD13 ILE 7 HD13 ILE 7 4.713 11.583 -15.902 57 H LYS 8 H LYS 8 7.559 13.327 -10.917 58 HA LYS 8 HA LYS 8 8.339 10.671 -9.833 59 HB2 LYS 8 HB2 LYS 8 9.791 13.255 -9.160 60 HB3 LYS 8 HB3 LYS 8 10.097 11.658 -8.463 61 HG2 LYS 8 HG2 LYS 8 10.714 10.887 -10.842 62 HG3 LYS 8 HG3 LYS 8 10.703 12.591 -11.302 63 HD2 LYS 8 HD2 LYS 8 12.428 11.253 -9.164 64 HD3 LYS 8 HD3 LYS 8 12.988 11.886 -10.714 65 HE2 LYS 8 HE2 LYS 8 12.521 14.182 -10.029 66 HE3 LYS 8 HE3 LYS 8 11.729 13.635 -8.536 67 HZ1 LYS 8 HZ1 LYS 8 14.044 14.359 -8.193 68 HZ2 LYS 8 HZ2 LYS 8 13.738 12.846 -7.680 69 HZ3 LYS 8 HZ3 LYS 8 14.584 13.098 -9.074 70 H ALA 9 H ALA 9 7.857 10.391 -7.666 71 HA ALA 9 HA ALA 9 6.607 12.632 -6.190 72 HB1 ALA 9 HB1 ALA 9 5.345 9.898 -6.345 73 HB2 ALA 9 HB2 ALA 9 4.823 11.323 -5.395 74 HB3 ALA 9 HB3 ALA 9 4.773 11.365 -7.194 75 H ASP 10 H ASP 10 9.024 12.107 -5.963 76 HA ASP 10 HA ASP 10 10.066 10.453 -3.896 77 HB2 ASP 10 HB2 ASP 10 10.723 13.213 -4.964 78 HB3 ASP 10 HB3 ASP 10 11.724 12.436 -3.730 79 H LYS 11 H LYS 11 7.913 13.057 -3.704 80 HA LYS 11 HA LYS 11 6.916 14.331 -2.097 81 HB2 LYS 11 HB2 LYS 11 7.509 11.785 -0.604 82 HB3 LYS 11 HB3 LYS 11 6.796 13.129 0.256 83 HG2 LYS 11 HG2 LYS 11 4.757 12.958 -0.779 84 HG3 LYS 11 HG3 LYS 11 5.454 12.457 -2.333 85 HD2 LYS 11 HD2 LYS 11 5.760 10.201 -1.532 86 HD3 LYS 11 HD3 LYS 11 5.282 10.669 0.119 87 HE2 LYS 11 HE2 LYS 11 3.019 11.194 -0.591 88 HE3 LYS 11 HE3 LYS 11 3.468 11.090 -2.294 89 HZ1 LYS 11 HZ1 LYS 11 3.440 8.742 -0.467 90 HZ2 LYS 11 HZ2 LYS 11 2.309 9.084 -1.591 91 HZ3 LYS 11 HZ3 LYS 11 3.818 8.712 -2.051 92 H ASP 12 H ASP 12 7.864 16.169 -1.892 93 HA ASP 12 HA ASP 12 10.187 16.816 -0.287 94 HB2 ASP 12 HB2 ASP 12 7.871 18.555 -1.229 95 HB3 ASP 12 HB3 ASP 12 9.390 19.143 -0.551 96 H TYR 13 H TYR 13 9.775 18.644 1.548 97 HA TYR 13 HA TYR 13 9.147 17.190 3.751 98 HB2 TYR 13 HB2 TYR 13 8.968 20.205 3.656 99 HB3 TYR 13 HB3 TYR 13 9.337 19.204 5.056 100 HD1 TYR 13 HD1 TYR 13 10.738 21.076 2.341 101 HD2 TYR 13 HD2 TYR 13 11.444 17.658 4.887 102 HE1 TYR 13 HE1 TYR 13 13.158 21.150 1.774 103 HE2 TYR 13 HE2 TYR 13 13.869 17.736 4.305 104 HH TYR 13 HH TYR 13 15.200 20.193 2.072 105 H SER 14 H SER 14 6.775 19.472 2.332 106 HA SER 14 HA SER 14 4.750 18.823 4.309 107 HB2 SER 14 HB2 SER 14 3.283 20.239 2.847 108 HB3 SER 14 HB3 SER 14 4.830 21.044 3.164 109 HG SER 14 HG SER 14 4.520 21.233 1.031 110 H GLN 15 H GLN 15 5.928 17.063 1.852 111 HA GLN 15 HA GLN 15 3.429 15.639 1.203 112 HB2 GLN 15 HB2 GLN 15 5.979 15.470 -0.343 113 HB3 GLN 15 HB3 GLN 15 4.351 14.989 -0.829 114 HG2 GLN 15 HG2 GLN 15 5.326 17.856 -0.504 115 HG3 GLN 15 HG3 GLN 15 5.062 16.995 -2.011 116 HE21 GLN 15 HE21 GLN 15 1.946 18.958 -0.571 117 HE22 GLN 15 HE22 GLN 15 3.603 19.265 -0.065 118 H ILE 16 H ILE 16 6.478 15.369 2.910 119 HA ILE 16 HA ILE 16 6.584 12.575 3.407 120 HB ILE 16 HB ILE 16 6.923 14.927 5.339 121 HG12 ILE 16 HG12 ILE 16 8.977 13.313 3.794 122 HG13 ILE 16 HG13 ILE 16 8.368 14.920 3.373 123 HG21 ILE 16 HG21 ILE 16 7.563 11.991 5.782 124 HG22 ILE 16 HG22 ILE 16 8.242 13.307 6.763 125 HG23 ILE 16 HG23 ILE 16 6.510 13.051 6.750 126 HD11 ILE 16 HD11 ILE 16 10.043 14.261 5.810 127 HD12 ILE 16 HD12 ILE 16 10.471 15.260 4.410 128 HD13 ILE 16 HD13 ILE 16 9.212 15.816 5.532 129 H LEU 17 H LEU 17 4.591 15.150 4.715 130 HA LEU 17 HA LEU 17 3.140 13.730 6.670 131 HB2 LEU 17 HB2 LEU 17 2.210 15.975 4.907 132 HB3 LEU 17 HB3 LEU 17 1.733 15.653 6.600 133 HG LEU 17 HG LEU 17 4.342 16.811 5.545 134 HD11 LEU 17 HD11 LEU 17 2.467 18.336 5.564 135 HD12 LEU 17 HD12 LEU 17 2.130 17.985 7.277 136 HD13 LEU 17 HD13 LEU 17 3.644 18.784 6.806 137 HD21 LEU 17 HD21 LEU 17 3.686 15.984 8.400 138 HD22 LEU 17 HD22 LEU 17 5.113 15.597 7.392 139 HD23 LEU 17 HD23 LEU 17 4.886 17.220 8.012 140 H LYS 18 H LYS 18 2.930 13.403 3.209 141 HA LYS 18 HA LYS 18 0.230 12.332 3.017 142 HB2 LYS 18 HB2 LYS 18 2.524 12.037 1.089 143 HB3 LYS 18 HB3 LYS 18 0.857 11.670 0.760 144 HG2 LYS 18 HG2 LYS 18 1.636 14.482 1.541 145 HG3 LYS 18 HG3 LYS 18 1.944 13.889 -0.100 146 HD2 LYS 18 HD2 LYS 18 -0.488 13.367 -0.337 147 HD3 LYS 18 HD3 LYS 18 -0.774 13.919 1.327 148 HE2 LYS 18 HE2 LYS 18 0.028 16.194 0.707 149 HE3 LYS 18 HE3 LYS 18 0.326 15.641 -0.945 150 HZ1 LYS 18 HZ1 LYS 18 -2.062 15.206 -1.153 151 HZ2 LYS 18 HZ2 LYS 18 -2.334 15.710 0.371 152 HZ3 LYS 18 HZ3 LYS 18 -1.815 16.762 -0.753 153 H GLU 19 H GLU 19 3.544 11.104 3.263 154 HA GLU 19 HA GLU 19 2.678 8.336 2.851 155 HB2 GLU 19 HB2 GLU 19 4.890 7.747 2.593 156 HB3 GLU 19 HB3 GLU 19 4.785 9.324 1.824 157 HG2 GLU 19 HG2 GLU 19 5.943 10.382 3.653 158 HG3 GLU 19 HG3 GLU 19 5.809 8.956 4.678 159 H GLU 20 H GLU 20 3.849 10.338 5.533 160 HA GLU 20 HA GLU 20 4.182 8.104 7.336 161 HB2 GLU 20 HB2 GLU 20 3.977 11.104 7.630 162 HB3 GLU 20 HB3 GLU 20 4.032 10.073 9.065 163 HG2 GLU 20 HG2 GLU 20 6.072 9.720 6.863 164 HG3 GLU 20 HG3 GLU 20 6.231 11.061 8.007 165 H PHE 21 H PHE 21 1.453 10.246 6.610 166 HA PHE 21 HA PHE 21 -0.272 9.714 8.684 167 HB2 PHE 21 HB2 PHE 21 -0.870 11.265 6.996 168 HB3 PHE 21 HB3 PHE 21 -0.891 10.030 5.747 169 HD1 PHE 21 HD1 PHE 21 -2.971 9.130 5.110 170 HD2 PHE 21 HD2 PHE 21 -2.526 10.787 9.067 171 HE1 PHE 21 HE1 PHE 21 -5.384 8.731 5.554 172 HE2 PHE 21 HE2 PHE 21 -4.932 10.387 9.508 173 HZ PHE 21 HZ PHE 21 -6.366 9.354 7.754 174 HA PRO 22 HA PRO 22 -1.951 5.493 7.055 175 HB2 PRO 22 HB2 PRO 22 -0.154 4.055 5.508 176 HB3 PRO 22 HB3 PRO 22 -1.613 4.919 4.892 177 HG2 PRO 22 HG2 PRO 22 1.294 5.762 4.878 178 HG3 PRO 22 HG3 PRO 22 0.066 6.012 3.607 179 HD2 PRO 22 HD2 PRO 22 0.708 8.021 5.292 180 HD3 PRO 22 HD3 PRO 22 -0.980 7.775 4.788 181 H LYS 23 H LYS 23 1.600 5.843 7.219 182 HA LYS 23 HA LYS 23 2.155 3.359 8.524 183 HB2 LYS 23 HB2 LYS 23 3.755 5.962 8.474 184 HB3 LYS 23 HB3 LYS 23 4.387 4.377 8.930 185 HG2 LYS 23 HG2 LYS 23 3.874 3.441 6.732 186 HG3 LYS 23 HG3 LYS 23 3.091 4.928 6.218 187 HD2 LYS 23 HD2 LYS 23 5.319 6.114 6.403 188 HD3 LYS 23 HD3 LYS 23 6.050 4.497 6.631 189 HE2 LYS 23 HE2 LYS 23 4.810 3.744 4.551 190 HE3 LYS 23 HE3 LYS 23 4.228 5.395 4.323 191 HZ1 LYS 23 HZ1 LYS 23 7.103 4.554 4.336 192 HZ2 LYS 23 HZ2 LYS 23 6.237 4.820 2.990 193 HZ3 LYS 23 HZ3 LYS 23 6.594 6.063 3.969 194 H ILE 24 H ILE 24 1.345 6.553 9.813 195 HA ILE 24 HA ILE 24 1.478 5.532 12.564 196 HB ILE 24 HB ILE 24 1.416 7.503 13.347 197 HG12 ILE 24 HG12 ILE 24 0.024 9.396 11.660 198 HG13 ILE 24 HG13 ILE 24 -1.055 8.085 11.856 199 HG21 ILE 24 HG21 ILE 24 2.485 9.199 12.011 200 HG22 ILE 24 HG22 ILE 24 3.028 7.636 11.330 201 HG23 ILE 24 HG23 ILE 24 1.732 8.564 10.556 202 HD11 ILE 24 HD11 ILE 24 0.396 9.424 14.165 203 HD12 ILE 24 HD12 ILE 24 -1.246 9.846 13.604 204 HD13 ILE 24 HD13 ILE 24 -0.965 8.240 14.263 205 H ASP 25 H ASP 25 -1.054 6.027 10.123 206 HA ASP 25 HA ASP 25 -3.226 5.879 11.965 207 HB2 ASP 25 HB2 ASP 25 -3.292 6.785 9.688 208 HB3 ASP 25 HB3 ASP 25 -3.025 5.176 9.014 209 H SER 26 H SER 26 -1.326 3.462 10.314 210 HA SER 26 HA SER 26 -2.660 1.056 11.148 211 HB2 SER 26 HB2 SER 26 0.306 1.571 10.663 212 HB3 SER 26 HB3 SER 26 -0.512 -0.004 10.648 213 HG SER 26 HG SER 26 -0.820 2.186 8.841 214 H LEU 27 H LEU 27 -0.438 3.279 12.855 215 HA LEU 27 HA LEU 27 0.015 1.438 15.065 216 HB2 LEU 27 HB2 LEU 27 1.912 2.668 14.428 217 HB3 LEU 27 HB3 LEU 27 1.009 4.156 14.234 218 HG LEU 27 HG LEU 27 0.675 4.326 16.675 219 HD11 LEU 27 HD11 LEU 27 2.631 1.962 16.781 220 HD12 LEU 27 HD12 LEU 27 2.100 2.937 18.166 221 HD13 LEU 27 HD13 LEU 27 0.940 1.926 17.313 222 HD21 LEU 27 HD21 LEU 27 2.559 5.427 15.457 223 HD22 LEU 27 HD22 LEU 27 2.971 5.039 17.135 224 HD23 LEU 27 HD23 LEU 27 3.591 4.031 15.815 225 H ALA 28 H ALA 28 -1.518 4.663 14.686 226 HA ALA 28 HA ALA 28 -2.343 5.069 17.289 227 HB1 ALA 28 HB1 ALA 28 -2.344 6.758 15.460 228 HB2 ALA 28 HB2 ALA 28 -3.733 5.951 14.713 229 HB3 ALA 28 HB3 ALA 28 -3.899 6.726 16.305 230 H GLN 29 H GLN 29 -3.920 3.077 14.911 231 HA GLN 29 HA GLN 29 -6.372 2.587 16.358 232 HB2 GLN 29 HB2 GLN 29 -4.903 1.061 14.179 233 HB3 GLN 29 HB3 GLN 29 -6.421 0.482 14.873 234 HG2 GLN 29 HG2 GLN 29 -7.594 2.523 14.210 235 HG3 GLN 29 HG3 GLN 29 -6.101 3.222 13.577 236 HE21 GLN 29 HE21 GLN 29 -6.162 1.278 10.566 237 HE22 GLN 29 HE22 GLN 29 -5.161 2.281 11.635 238 H ASN 30 H ASN 30 -3.239 1.695 17.194 239 HA ASN 30 HA ASN 30 -4.091 -0.542 18.928 240 HB2 ASN 30 HB2 ASN 30 -1.589 -0.256 17.206 241 HB3 ASN 30 HB3 ASN 30 -1.833 -1.523 18.406 242 HD21 ASN 30 HD21 ASN 30 -3.405 -2.064 14.760 243 HD22 ASN 30 HD22 ASN 30 -2.350 -0.701 15.081 244 H ASP 31 H ASP 31 -1.668 2.072 18.488 245 HA ASP 31 HA ASP 31 -1.706 2.630 21.365 246 HB2 ASP 31 HB2 ASP 31 0.068 0.904 21.125 247 HB3 ASP 31 HB3 ASP 31 0.898 1.924 19.949 248 H CYS 32 H CYS 32 -2.838 4.510 20.378 249 HA CYS 32 HA CYS 32 -1.472 6.403 18.757 250 HB2 CYS 32 HB2 CYS 32 -3.224 7.987 19.569 251 HB3 CYS 32 HB3 CYS 32 -3.886 6.457 18.979 252 HG CYS 32 HG CYS 32 -4.575 5.430 21.130 253 H ASN 33 H ASN 33 -0.988 5.702 22.090 254 HA ASN 33 HA ASN 33 0.158 8.147 23.011 255 HB2 ASN 33 HB2 ASN 33 1.010 5.364 23.863 256 HB3 ASN 33 HB3 ASN 33 1.076 6.840 24.808 257 HD21 ASN 33 HD21 ASN 33 -2.253 4.578 24.905 258 HD22 ASN 33 HD22 ASN 33 -0.805 4.090 24.001 259 H SER 34 H SER 34 1.438 5.645 20.910 260 HA SER 34 HA SER 34 4.135 6.923 20.844 261 HB2 SER 34 HB2 SER 34 3.005 4.495 19.416 262 HB3 SER 34 HB3 SER 34 4.657 5.108 19.239 263 HG SER 34 HG SER 34 3.421 3.788 21.400 264 H ALA 35 H ALA 35 1.142 6.662 18.969 265 HA ALA 35 HA ALA 35 2.240 7.378 16.456 266 HB1 ALA 35 HB1 ALA 35 -0.049 6.254 17.227 267 HB2 ALA 35 HB2 ALA 35 -0.650 7.924 17.116 268 HB3 ALA 35 HB3 ALA 35 0.094 7.117 15.708 269 H LEU 36 H LEU 36 0.923 9.512 19.009 270 HA LEU 36 HA LEU 36 0.902 11.826 17.359 271 HB2 LEU 36 HB2 LEU 36 0.547 13.036 19.322 272 HB3 LEU 36 HB3 LEU 36 -0.075 11.456 19.750 273 HG LEU 36 HG LEU 36 2.698 12.467 20.547 274 HD11 LEU 36 HD11 LEU 36 1.018 13.940 21.482 275 HD12 LEU 36 HD12 LEU 36 0.090 12.559 22.101 276 HD13 LEU 36 HD13 LEU 36 1.704 12.915 22.747 277 HD21 LEU 36 HD21 LEU 36 2.509 10.710 22.281 278 HD22 LEU 36 HD22 LEU 36 0.948 10.195 21.609 279 HD23 LEU 36 HD23 LEU 36 2.442 9.997 20.673 280 H ASP 37 H ASP 37 3.537 10.221 19.011 281 HA ASP 37 HA ASP 37 5.559 12.191 18.331 282 HB2 ASP 37 HB2 ASP 37 5.773 9.356 19.336 283 HB3 ASP 37 HB3 ASP 37 7.132 10.450 19.150 284 H GLN 38 H GLN 38 3.815 10.568 16.255 285 HA GLN 38 HA GLN 38 6.084 10.231 14.401 286 HB2 GLN 38 HB2 GLN 38 3.317 8.963 14.224 287 HB3 GLN 38 HB3 GLN 38 4.605 8.791 13.024 288 HG2 GLN 38 HG2 GLN 38 4.923 7.940 15.926 289 HG3 GLN 38 HG3 GLN 38 4.321 6.878 14.656 290 HE21 GLN 38 HE21 GLN 38 8.334 7.747 14.736 291 HE22 GLN 38 HE22 GLN 38 7.230 8.781 15.649 292 H LEU 39 H LEU 39 2.630 11.449 14.299 293 HA LEU 39 HA LEU 39 3.420 13.102 12.030 294 HB2 LEU 39 HB2 LEU 39 0.903 13.324 13.737 295 HB3 LEU 39 HB3 LEU 39 1.194 14.119 12.190 296 HG LEU 39 HG LEU 39 0.892 11.181 12.767 297 HD11 LEU 39 HD11 LEU 39 -1.076 11.365 11.259 298 HD12 LEU 39 HD12 LEU 39 -1.193 12.604 12.518 299 HD13 LEU 39 HD13 LEU 39 -0.664 13.046 10.889 300 HD21 LEU 39 HD21 LEU 39 1.655 12.562 10.123 301 HD22 LEU 39 HD22 LEU 39 2.599 11.326 10.980 302 HD23 LEU 39 HD23 LEU 39 1.072 10.891 10.210 303 H LEU 40 H LEU 40 2.953 13.926 15.548 304 HA LEU 40 HA LEU 40 3.320 16.757 14.841 305 HB2 LEU 40 HB2 LEU 40 3.162 15.522 17.597 306 HB3 LEU 40 HB3 LEU 40 3.134 17.216 17.204 307 HG LEU 40 HG LEU 40 0.891 17.158 17.297 308 HD11 LEU 40 HD11 LEU 40 0.736 15.289 14.936 309 HD12 LEU 40 HD12 LEU 40 -0.471 16.422 15.526 310 HD13 LEU 40 HD13 LEU 40 1.023 17.035 14.801 311 HD21 LEU 40 HD21 LEU 40 1.129 15.101 18.599 312 HD22 LEU 40 HD22 LEU 40 -0.377 15.186 17.690 313 HD23 LEU 40 HD23 LEU 40 0.957 14.156 17.110 314 H VAL 41 H VAL 41 5.415 14.152 15.404 315 HA VAL 41 HA VAL 41 7.803 15.607 16.127 316 HB VAL 41 HB VAL 41 7.188 12.912 14.918 317 HG11 VAL 41 HG11 VAL 41 10.011 14.062 15.143 318 HG12 VAL 41 HG12 VAL 41 9.615 12.340 14.932 319 HG13 VAL 41 HG13 VAL 41 9.206 13.489 13.661 320 HG21 VAL 41 HG21 VAL 41 8.811 13.927 17.337 321 HG22 VAL 41 HG22 VAL 41 7.136 13.359 17.409 322 HG23 VAL 41 HG23 VAL 41 8.446 12.235 17.004 323 H LEU 42 H LEU 42 6.136 14.993 13.056 324 HA LEU 42 HA LEU 42 8.154 16.108 11.357 325 HB2 LEU 42 HB2 LEU 42 5.143 16.091 11.030 326 HB3 LEU 42 HB3 LEU 42 6.291 16.446 9.764 327 HG LEU 42 HG LEU 42 6.429 13.787 11.242 328 HD11 LEU 42 HD11 LEU 42 4.936 13.886 8.641 329 HD12 LEU 42 HD12 LEU 42 4.951 12.676 9.916 330 HD13 LEU 42 HD13 LEU 42 4.080 14.200 10.165 331 HD21 LEU 42 HD21 LEU 42 7.456 13.079 9.095 332 HD22 LEU 42 HD22 LEU 42 7.258 14.743 8.471 333 HD23 LEU 42 HD23 LEU 42 8.337 14.417 9.840 334 H GLU 43 H GLU 43 5.153 17.634 12.604 335 HA GLU 43 HA GLU 43 5.660 20.342 12.187 336 HB2 GLU 43 HB2 GLU 43 3.666 19.847 13.199 337 HB3 GLU 43 HB3 GLU 43 4.353 18.852 14.459 338 HG2 GLU 43 HG2 GLU 43 5.021 21.782 14.394 339 HG3 GLU 43 HG3 GLU 43 3.399 21.376 14.804 340 H LYS 44 H LYS 44 7.023 18.450 14.877 341 HA LYS 44 HA LYS 44 8.469 20.581 16.114 342 HB2 LYS 44 HB2 LYS 44 7.849 18.392 17.146 343 HB3 LYS 44 HB3 LYS 44 9.038 17.585 16.131 344 HG2 LYS 44 HG2 LYS 44 10.846 18.945 17.205 345 HG3 LYS 44 HG3 LYS 44 9.621 19.722 18.230 346 HD2 LYS 44 HD2 LYS 44 9.016 17.459 19.163 347 HD3 LYS 44 HD3 LYS 44 10.263 16.736 18.137 348 HE2 LYS 44 HE2 LYS 44 11.229 16.924 20.286 349 HE3 LYS 44 HE3 LYS 44 11.994 18.159 19.286 350 HZ1 LYS 44 HZ1 LYS 44 11.373 19.022 21.464 351 HZ2 LYS 44 HZ2 LYS 44 10.504 19.803 20.331 352 HZ3 LYS 44 HZ3 LYS 44 9.807 18.639 21.244 353 H LYS 45 H LYS 45 9.688 18.016 13.966 354 HA LYS 45 HA LYS 45 12.370 18.968 13.683 355 HB2 LYS 45 HB2 LYS 45 11.533 16.682 13.140 356 HB3 LYS 45 HB3 LYS 45 10.630 17.331 11.773 357 HG2 LYS 45 HG2 LYS 45 12.787 18.091 10.741 358 HG3 LYS 45 HG3 LYS 45 13.670 17.386 12.096 359 HD2 LYS 45 HD2 LYS 45 11.892 15.890 10.117 360 HD3 LYS 45 HD3 LYS 45 13.648 15.945 10.053 361 HE2 LYS 45 HE2 LYS 45 12.007 14.723 12.328 362 HE3 LYS 45 HE3 LYS 45 12.718 13.824 10.988 363 HZ1 LYS 45 HZ1 LYS 45 14.294 15.354 12.987 364 HZ2 LYS 45 HZ2 LYS 45 14.153 13.731 12.909 365 HZ3 LYS 45 HZ3 LYS 45 14.914 14.534 11.721 366 H THR 46 H THR 46 9.508 19.561 11.680 367 HA THR 46 HA THR 46 10.773 21.113 9.634 368 HB THR 46 HB THR 46 8.498 21.784 9.030 369 HG1 THR 46 HG1 THR 46 7.722 20.060 11.104 370 HG21 THR 46 HG21 THR 46 7.635 19.480 8.655 371 HG22 THR 46 HG22 THR 46 9.329 19.717 8.138 372 HG23 THR 46 HG23 THR 46 8.993 18.824 9.610 373 H ARG 47 H ARG 47 8.980 22.289 12.588 374 HA ARG 47 HA ARG 47 9.588 25.042 11.881 375 HB2 ARG 47 HB2 ARG 47 7.753 24.370 13.529 376 HB3 ARG 47 HB3 ARG 47 8.993 24.159 14.758 377 HG2 ARG 47 HG2 ARG 47 8.795 26.716 13.129 378 HG3 ARG 47 HG3 ARG 47 7.735 26.433 14.500 379 HD2 ARG 47 HD2 ARG 47 9.467 26.436 16.076 380 HD3 ARG 47 HD3 ARG 47 10.738 26.278 14.879 381 HE ARG 47 HE ARG 47 9.171 28.710 15.506 382 HH11 ARG 47 HH11 ARG 47 11.644 27.359 13.330 383 HH12 ARG 47 HH12 ARG 47 12.184 28.957 12.897 384 HH21 ARG 47 HH21 ARG 47 10.005 30.670 14.866 385 HH22 ARG 47 HH22 ARG 47 11.283 30.722 13.690 386 H GLN 48 H GLN 48 11.328 22.672 13.914 387 HA GLN 48 HA GLN 48 13.338 24.530 14.760 388 HB2 GLN 48 HB2 GLN 48 13.287 21.497 14.589 389 HB3 GLN 48 HB3 GLN 48 14.646 22.386 15.268 390 HG2 GLN 48 HG2 GLN 48 11.785 22.624 16.301 391 HG3 GLN 48 HG3 GLN 48 12.996 21.542 16.972 392 HE21 GLN 48 HE21 GLN 48 12.966 24.624 19.061 393 HE22 GLN 48 HE22 GLN 48 11.784 23.389 18.641 394 H ALA 49 H ALA 49 13.262 22.332 11.937 395 HA ALA 49 HA ALA 49 15.901 22.958 11.025 396 HB1 ALA 49 HB1 ALA 49 14.713 20.831 10.622 397 HB2 ALA 49 HB2 ALA 49 13.478 21.691 9.671 398 HB3 ALA 49 HB3 ALA 49 15.160 21.601 9.090 399 H SER 50 H SER 50 13.162 24.928 10.962 400 HA SER 50 HA SER 50 12.353 26.604 9.723 401 HB2 SER 50 HB2 SER 50 15.130 26.920 8.546 402 HB3 SER 50 HB3 SER 50 13.805 28.093 8.456 403 HG SER 50 HG SER 50 15.087 27.133 10.802 404 H ASP 51 H ASP 51 12.124 23.943 8.769 405 HA ASP 51 HA ASP 51 11.604 24.262 5.843 406 HB2 ASP 51 HB2 ASP 51 11.573 21.819 7.655 407 HB3 ASP 51 HB3 ASP 51 11.135 21.806 5.943 408 H LEU 52 H LEU 52 10.210 25.460 8.252 409 HA LEU 52 HA LEU 52 7.958 24.333 9.088 410 HB2 LEU 52 HB2 LEU 52 7.162 26.401 9.759 411 HB3 LEU 52 HB3 LEU 52 8.898 26.264 10.061 412 HG LEU 52 HG LEU 52 7.637 27.846 7.762 413 HD11 LEU 52 HD11 LEU 52 6.992 28.788 9.913 414 HD12 LEU 52 HD12 LEU 52 8.678 28.725 10.482 415 HD13 LEU 52 HD13 LEU 52 8.211 29.825 9.160 416 HD21 LEU 52 HD21 LEU 52 9.936 28.952 7.800 417 HD22 LEU 52 HD22 LEU 52 10.446 27.624 8.885 418 HD23 LEU 52 HD23 LEU 52 9.900 27.285 7.225 419 H ALA 53 H ALA 53 8.149 25.735 5.973 420 HA ALA 53 HA ALA 53 5.446 26.118 5.210 421 HB1 ALA 53 HB1 ALA 53 7.410 26.573 3.768 422 HB2 ALA 53 HB2 ALA 53 7.726 24.824 3.645 423 HB3 ALA 53 HB3 ALA 53 6.250 25.516 2.939 424 H SER 54 H SER 54 7.093 23.153 6.004 425 HA SER 54 HA SER 54 4.827 21.375 5.236 426 HB2 SER 54 HB2 SER 54 6.311 19.598 6.208 427 HB3 SER 54 HB3 SER 54 6.985 20.500 4.821 428 HG SER 54 HG SER 54 8.267 21.703 6.231 429 H SER 55 H SER 55 6.525 22.319 8.298 430 HA SER 55 HA SER 55 4.888 21.363 10.250 431 HB2 SER 55 HB2 SER 55 6.843 23.149 10.374 432 HB3 SER 55 HB3 SER 55 5.538 24.316 10.327 433 HG SER 55 HG SER 55 6.236 22.474 12.296 434 H LYS 56 H LYS 56 4.182 24.182 8.271 435 HA LYS 56 HA LYS 56 1.716 25.087 9.360 436 HB2 LYS 56 HB2 LYS 56 2.849 25.144 6.541 437 HB3 LYS 56 HB3 LYS 56 1.287 25.861 6.931 438 HG2 LYS 56 HG2 LYS 56 2.329 27.333 8.603 439 HG3 LYS 56 HG3 LYS 56 3.926 26.670 8.220 440 HD2 LYS 56 HD2 LYS 56 3.648 27.439 5.852 441 HD3 LYS 56 HD3 LYS 56 2.066 28.116 6.274 442 HE2 LYS 56 HE2 LYS 56 3.165 29.609 7.948 443 HE3 LYS 56 HE3 LYS 56 4.745 28.958 7.479 444 HZ1 LYS 56 HZ1 LYS 56 4.255 31.041 6.335 445 HZ2 LYS 56 HZ2 LYS 56 4.361 29.845 5.238 446 HZ3 LYS 56 HZ3 LYS 56 2.905 30.427 5.672 447 H GLU 57 H GLU 57 2.209 22.328 7.223 448 HA GLU 57 HA GLU 57 -0.692 21.960 6.754 449 HB2 GLU 57 HB2 GLU 57 1.788 20.479 5.880 450 HB3 GLU 57 HB3 GLU 57 0.165 19.919 5.498 451 HG2 GLU 57 HG2 GLU 57 1.351 22.614 4.706 452 HG3 GLU 57 HG3 GLU 57 1.236 21.205 3.653 453 H VAL 58 H VAL 58 1.889 20.664 8.792 454 HA VAL 58 HA VAL 58 0.339 18.478 9.931 455 HB VAL 58 HB VAL 58 2.458 19.976 11.460 456 HG11 VAL 58 HG11 VAL 58 1.780 16.993 11.296 457 HG12 VAL 58 HG12 VAL 58 2.893 17.761 12.433 458 HG13 VAL 58 HG13 VAL 58 1.162 18.091 12.539 459 HG21 VAL 58 HG21 VAL 58 4.202 18.514 10.524 460 HG22 VAL 58 HG22 VAL 58 3.017 17.877 9.372 461 HG23 VAL 58 HG23 VAL 58 3.527 19.579 9.299 462 H LEU 59 H LEU 59 0.930 21.836 10.785 463 HA LEU 59 HA LEU 59 -0.260 21.945 13.281 464 HB2 LEU 59 HB2 LEU 59 0.300 23.951 11.143 465 HB3 LEU 59 HB3 LEU 59 -0.578 24.461 12.582 466 HG LEU 59 HG LEU 59 2.046 22.943 12.836 467 HD11 LEU 59 HD11 LEU 59 1.681 25.961 12.666 468 HD12 LEU 59 HD12 LEU 59 3.181 25.092 13.072 469 HD13 LEU 59 HD13 LEU 59 2.493 24.931 11.455 470 HD21 LEU 59 HD21 LEU 59 0.607 23.172 14.844 471 HD22 LEU 59 HD22 LEU 59 2.088 24.112 15.006 472 HD23 LEU 59 HD23 LEU 59 0.567 24.934 14.616 473 H ALA 60 H ALA 60 -1.935 22.230 10.194 474 HA ALA 60 HA ALA 60 -4.468 22.858 11.373 475 HB1 ALA 60 HB1 ALA 60 -5.324 22.470 9.064 476 HB2 ALA 60 HB2 ALA 60 -3.854 23.466 9.054 477 HB3 ALA 60 HB3 ALA 60 -3.764 21.742 8.618 478 H LYS 61 H LYS 61 -2.891 20.007 11.678 479 HA LYS 61 HA LYS 61 -5.376 18.739 12.545 480 HB2 LYS 61 HB2 LYS 61 -5.404 17.126 11.169 481 HB3 LYS 61 HB3 LYS 61 -4.092 17.859 10.276 482 HG2 LYS 61 HG2 LYS 61 -3.708 15.762 12.471 483 HG3 LYS 61 HG3 LYS 61 -3.914 15.390 10.783 484 HD2 LYS 61 HD2 LYS 61 -1.627 17.051 11.893 485 HD3 LYS 61 HD3 LYS 61 -1.543 15.344 11.481 486 HE2 LYS 61 HE2 LYS 61 -2.099 17.645 9.547 487 HE3 LYS 61 HE3 LYS 61 -0.595 16.725 9.676 488 HZ1 LYS 61 HZ1 LYS 61 -1.957 15.968 7.813 489 HZ2 LYS 61 HZ2 LYS 61 -1.787 14.754 8.880 490 HZ3 LYS 61 HZ3 LYS 61 -3.192 15.577 8.781 491 H ILE 62 H ILE 62 -2.424 19.834 13.402 492 HA ILE 62 HA ILE 62 -1.662 18.306 15.569 493 HB ILE 62 HB ILE 62 -1.213 20.820 14.579 494 HG12 ILE 62 HG12 ILE 62 0.355 20.949 16.759 495 HG13 ILE 62 HG13 ILE 62 -0.096 19.247 16.815 496 HG21 ILE 62 HG21 ILE 62 -1.411 22.524 16.197 497 HG22 ILE 62 HG22 ILE 62 -2.979 21.906 15.734 498 HG23 ILE 62 HG23 ILE 62 -2.278 21.440 17.311 499 HD11 ILE 62 HD11 ILE 62 1.827 19.336 15.394 500 HD12 ILE 62 HD12 ILE 62 0.455 19.307 14.239 501 HD13 ILE 62 HD13 ILE 62 1.282 20.838 14.625 502 H VAL 63 H VAL 63 -4.606 20.295 15.268 503 HA VAL 63 HA VAL 63 -5.298 19.808 18.087 504 HB VAL 63 HB VAL 63 -5.822 21.879 16.748 505 HG11 VAL 63 HG11 VAL 63 -8.218 20.267 15.831 506 HG12 VAL 63 HG12 VAL 63 -7.888 21.988 15.549 507 HG13 VAL 63 HG13 VAL 63 -6.845 20.753 14.804 508 HG21 VAL 63 HG21 VAL 63 -8.318 21.477 18.018 509 HG22 VAL 63 HG22 VAL 63 -7.092 20.586 18.955 510 HG23 VAL 63 HG23 VAL 63 -6.883 22.305 18.623 511 H ASP 64 H ASP 64 -5.645 17.976 15.295 512 HA ASP 64 HA ASP 64 -7.947 16.483 16.277 513 HB2 ASP 64 HB2 ASP 64 -6.305 16.099 13.747 514 HB3 ASP 64 HB3 ASP 64 -7.742 15.180 14.172 515 H LEU 65 H LEU 65 -4.487 16.322 16.399 516 HA LEU 65 HA LEU 65 -4.691 13.596 17.607 517 HB2 LEU 65 HB2 LEU 65 -3.409 14.052 15.356 518 HB3 LEU 65 HB3 LEU 65 -2.141 14.623 16.416 519 HG LEU 65 HG LEU 65 -3.373 11.829 16.227 520 HD11 LEU 65 HD11 LEU 65 -1.658 12.357 14.617 521 HD12 LEU 65 HD12 LEU 65 -0.544 12.888 15.893 522 HD13 LEU 65 HD13 LEU 65 -1.033 11.179 15.782 523 HD21 LEU 65 HD21 LEU 65 -1.735 11.146 18.014 524 HD22 LEU 65 HD22 LEU 65 -1.535 12.883 18.387 525 HD23 LEU 65 HD23 LEU 65 -3.112 12.086 18.582 526 H LEU 66 H LEU 66 -2.639 16.649 17.969 527 HA LEU 66 HA LEU 66 -1.565 15.823 20.444 528 HB2 LEU 66 HB2 LEU 66 -0.931 17.749 18.749 529 HB3 LEU 66 HB3 LEU 66 -2.065 18.713 19.678 530 HG LEU 66 HG LEU 66 -0.700 18.303 21.725 531 HD11 LEU 66 HD11 LEU 66 0.500 16.230 20.964 532 HD12 LEU 66 HD12 LEU 66 1.354 17.213 19.752 533 HD13 LEU 66 HD13 LEU 66 1.596 17.510 21.488 534 HD21 LEU 66 HD21 LEU 66 1.211 19.788 20.859 535 HD22 LEU 66 HD22 LEU 66 0.509 19.613 19.255 536 HD23 LEU 66 HD23 LEU 66 -0.424 20.381 20.567 537 H ALA 67 H ALA 67 -4.243 18.239 19.965 538 HA ALA 67 HA ALA 67 -5.098 18.267 22.692 539 HB1 ALA 67 HB1 ALA 67 -7.191 19.197 21.712 540 HB2 ALA 67 HB2 ALA 67 -5.763 19.902 20.940 541 HB3 ALA 67 HB3 ALA 67 -6.667 18.638 20.107 542 H SER 68 H SER 68 -5.690 15.871 20.263 543 HA SER 68 HA SER 68 -8.005 14.660 21.529 544 HB2 SER 68 HB2 SER 68 -7.730 14.712 19.107 545 HB3 SER 68 HB3 SER 68 -6.276 13.701 19.239 546 HG SER 68 HG SER 68 -8.183 12.527 18.731 547 H ARG 69 H ARG 69 -4.548 13.976 21.454 548 HA ARG 69 HA ARG 69 -4.817 11.452 22.972 549 HB2 ARG 69 HB2 ARG 69 -3.380 11.671 20.944 550 HB3 ARG 69 HB3 ARG 69 -2.364 12.825 21.794 551 HG2 ARG 69 HG2 ARG 69 -1.501 10.467 21.553 552 HG3 ARG 69 HG3 ARG 69 -1.445 11.099 23.194 553 HD2 ARG 69 HD2 ARG 69 -3.778 9.401 22.253 554 HD3 ARG 69 HD3 ARG 69 -2.252 8.660 22.764 555 HE ARG 69 HE ARG 69 -2.822 10.370 24.842 556 HH11 ARG 69 HH11 ARG 69 -4.664 7.723 23.413 557 HH12 ARG 69 HH12 ARG 69 -5.458 7.383 24.930 558 HH21 ARG 69 HH21 ARG 69 -3.739 9.709 26.736 559 HH22 ARG 69 HH22 ARG 69 -4.946 8.456 26.732 560 H ASN 70 H ASN 70 -5.527 14.009 24.078 561 HA ASN 70 HA ASN 70 -5.414 15.308 25.809 562 HB2 ASN 70 HB2 ASN 70 -4.314 12.825 27.160 563 HB3 ASN 70 HB3 ASN 70 -4.893 14.231 28.035 564 HD21 ASN 70 HD21 ASN 70 -7.635 11.604 27.468 565 HD22 ASN 70 HD22 ASN 70 -5.938 11.357 27.847 566 H LYS 71 H LYS 71 -3.135 15.622 24.086 567 HA LYS 71 HA LYS 71 -1.341 17.021 25.974 568 HB2 LYS 71 HB2 LYS 71 -0.811 16.314 23.073 569 HB3 LYS 71 HB3 LYS 71 0.294 17.174 24.143 570 HG2 LYS 71 HG2 LYS 71 -0.607 14.282 24.397 571 HG3 LYS 71 HG3 LYS 71 0.973 14.879 23.887 572 HD2 LYS 71 HD2 LYS 71 1.385 15.823 26.132 573 HD3 LYS 71 HD3 LYS 71 -0.200 15.231 26.681 574 HE2 LYS 71 HE2 LYS 71 0.462 12.908 26.192 575 HE3 LYS 71 HE3 LYS 71 2.042 13.467 25.613 576 HZ1 LYS 71 HZ1 LYS 71 1.039 13.788 28.390 577 HZ2 LYS 71 HZ2 LYS 71 2.152 12.706 27.909 578 HZ3 LYS 71 HZ3 LYS 71 2.495 14.291 27.857 579 H TRP 72 H TRP 72 -4.011 17.798 25.280 580 HA TRP 72 HA TRP 72 -4.214 20.084 23.687 581 HB2 TRP 72 HB2 TRP 72 -5.810 20.665 25.841 582 HB3 TRP 72 HB3 TRP 72 -6.220 19.644 24.486 583 HD1 TRP 72 HD1 TRP 72 -7.541 17.768 25.127 584 HE1 TRP 72 HE1 TRP 72 -7.782 16.158 27.083 585 HE3 TRP 72 HE3 TRP 72 -3.687 19.425 28.118 586 HZ2 TRP 72 HZ2 TRP 72 -6.586 15.691 29.634 587 HZ3 TRP 72 HZ3 TRP 72 -3.233 18.315 30.274 588 HH2 TRP 72 HH2 TRP 72 -4.689 16.463 31.065 589 H ASP 73 H ASP 73 -2.428 19.837 26.677 590 HA ASP 73 HA ASP 73 -2.297 22.635 27.336 591 HB2 ASP 73 HB2 ASP 73 -1.766 20.620 28.795 592 HB3 ASP 73 HB3 ASP 73 -0.309 20.380 27.833 593 H ASP 74 H ASP 74 -0.662 20.617 24.961 594 HA ASP 74 HA ASP 74 1.359 22.614 24.329 595 HB2 ASP 74 HB2 ASP 74 0.784 19.903 23.124 596 HB3 ASP 74 HB3 ASP 74 2.126 20.961 22.680 597 H LEU 75 H LEU 75 -1.921 21.945 23.119 598 HA LEU 75 HA LEU 75 -1.731 23.090 20.532 599 HB2 LEU 75 HB2 LEU 75 -3.811 22.462 22.445 600 HB3 LEU 75 HB3 LEU 75 -4.093 23.996 21.625 601 HG LEU 75 HG LEU 75 -5.104 21.937 20.579 602 HD11 LEU 75 HD11 LEU 75 -4.383 22.552 18.218 603 HD12 LEU 75 HD12 LEU 75 -5.035 23.833 19.248 604 HD13 LEU 75 HD13 LEU 75 -3.281 23.723 18.957 605 HD21 LEU 75 HD21 LEU 75 -2.321 21.262 19.621 606 HD22 LEU 75 HD22 LEU 75 -3.139 20.451 20.977 607 HD23 LEU 75 HD23 LEU 75 -3.817 20.383 19.346 608 H ASN 76 H ASN 76 -1.900 24.660 23.645 609 HA ASN 76 HA ASN 76 -1.794 27.386 23.008 610 HB2 ASN 76 HB2 ASN 76 -1.799 27.160 25.280 611 HB3 ASN 76 HB3 ASN 76 -1.144 25.542 25.174 612 HD21 ASN 76 HD21 ASN 76 1.892 26.412 26.555 613 HD22 ASN 76 HD22 ASN 76 0.655 25.188 26.252 614 H GLU 77 H GLU 77 0.943 25.118 23.040 615 HA GLU 77 HA GLU 77 2.859 27.120 22.229 616 HB2 GLU 77 HB2 GLU 77 3.584 25.201 23.485 617 HB3 GLU 77 HB3 GLU 77 3.085 24.088 22.201 618 HG2 GLU 77 HG2 GLU 77 4.764 24.880 20.703 619 HG3 GLU 77 HG3 GLU 77 5.078 26.314 21.684 620 H GLN 78 H GLN 78 0.632 25.122 20.394 621 HA GLN 78 HA GLN 78 2.045 25.316 17.864 622 HB2 GLN 78 HB2 GLN 78 -0.937 24.846 18.257 623 HB3 GLN 78 HB3 GLN 78 0.061 24.373 16.897 624 HG2 GLN 78 HG2 GLN 78 0.067 23.274 19.689 625 HG3 GLN 78 HG3 GLN 78 -0.307 22.392 18.257 626 HE21 GLN 78 HE21 GLN 78 3.365 22.181 19.722 627 HE22 GLN 78 HE22 GLN 78 1.908 22.630 20.625 628 H LEU 79 H LEU 79 -0.352 27.283 19.483 629 HA LEU 79 HA LEU 79 -0.765 29.304 17.481 630 HB2 LEU 79 HB2 LEU 79 -1.024 28.947 20.460 631 HB3 LEU 79 HB3 LEU 79 -1.108 30.573 19.857 632 HG LEU 79 HG LEU 79 -3.054 30.163 18.572 633 HD11 LEU 79 HD11 LEU 79 -4.230 28.023 18.420 634 HD12 LEU 79 HD12 LEU 79 -2.649 27.908 17.681 635 HD13 LEU 79 HD13 LEU 79 -2.897 27.217 19.291 636 HD21 LEU 79 HD21 LEU 79 -3.330 30.530 21.022 637 HD22 LEU 79 HD22 LEU 79 -4.615 29.484 20.388 638 HD23 LEU 79 HD23 LEU 79 -3.251 28.781 21.292 639 H THR 80 H THR 80 1.905 28.613 19.513 640 HA THR 80 HA THR 80 3.210 31.274 19.213 641 HB THR 80 HB THR 80 3.464 28.862 20.977 642 HG1 THR 80 HG1 THR 80 2.319 30.529 21.733 643 HG21 THR 80 HG21 THR 80 5.749 30.777 20.517 644 HG22 THR 80 HG22 THR 80 5.553 29.760 21.969 645 HG23 THR 80 HG23 THR 80 5.734 28.986 20.384 646 H LEU 81 H LEU 81 3.711 27.894 18.297 647 HA LEU 81 HA LEU 81 6.189 27.403 17.698 648 HB2 LEU 81 HB2 LEU 81 3.764 26.401 16.860 649 HB3 LEU 81 HB3 LEU 81 4.510 26.826 15.336 650 HG LEU 81 HG LEU 81 6.622 25.600 16.264 651 HD11 LEU 81 HD11 LEU 81 5.787 25.496 18.624 652 HD12 LEU 81 HD12 LEU 81 4.480 24.428 18.080 653 HD13 LEU 81 HD13 LEU 81 6.166 23.892 17.950 654 HD21 LEU 81 HD21 LEU 81 4.185 23.860 15.707 655 HD22 LEU 81 HD22 LEU 81 5.085 24.747 14.450 656 HD23 LEU 81 HD23 LEU 81 5.896 23.514 15.412 657 H LEU 82 H LEU 82 4.513 28.867 14.963 658 HA LEU 82 HA LEU 82 7.061 29.363 13.660 659 HB2 LEU 82 HB2 LEU 82 4.404 30.415 12.650 660 HB3 LEU 82 HB3 LEU 82 5.816 29.942 11.730 661 HG LEU 82 HG LEU 82 3.825 28.111 13.132 662 HD11 LEU 82 HD11 LEU 82 4.539 28.453 10.194 663 HD12 LEU 82 HD12 LEU 82 3.307 27.360 10.874 664 HD13 LEU 82 HD13 LEU 82 3.093 29.117 10.987 665 HD21 LEU 82 HD21 LEU 82 5.933 26.986 13.349 666 HD22 LEU 82 HD22 LEU 82 5.105 26.236 11.993 667 HD23 LEU 82 HD23 LEU 82 6.416 27.401 11.699 668 H SER 83 H SER 83 5.671 31.066 16.026 669 HA SER 83 HA SER 83 6.710 33.726 15.178 670 HB2 SER 83 HB2 SER 83 4.219 33.560 15.041 671 HB3 SER 83 HB3 SER 83 4.204 33.203 16.786 672 HG SER 83 HG SER 83 5.329 35.215 17.054 673 H LYS 84 H LYS 84 7.455 31.290 17.182 674 HA LYS 84 HA LYS 84 7.856 32.230 19.754 675 HB2 LYS 84 HB2 LYS 84 9.821 30.781 17.939 676 HB3 LYS 84 HB3 LYS 84 10.137 31.084 19.649 677 HG2 LYS 84 HG2 LYS 84 8.262 29.750 20.357 678 HG3 LYS 84 HG3 LYS 84 7.651 29.588 18.701 679 HD2 LYS 84 HD2 LYS 84 9.635 28.305 18.042 680 HD3 LYS 84 HD3 LYS 84 10.357 28.494 19.643 681 HE2 LYS 84 HE2 LYS 84 7.656 27.149 19.192 682 HE3 LYS 84 HE3 LYS 84 9.182 26.266 19.098 683 HZ1 LYS 84 HZ1 LYS 84 8.324 27.748 21.535 684 HZ2 LYS 84 HZ2 LYS 84 8.191 26.133 21.351 685 HZ3 LYS 84 HZ3 LYS 84 9.659 26.831 21.383 686 H LYS 85 H LYS 85 9.542 33.511 16.942 687 HA LYS 85 HA LYS 85 11.457 35.158 18.364 688 HB2 LYS 85 HB2 LYS 85 11.789 34.626 16.016 689 HB3 LYS 85 HB3 LYS 85 10.241 35.351 15.577 690 HG2 LYS 85 HG2 LYS 85 12.092 36.789 14.951 691 HG3 LYS 85 HG3 LYS 85 11.063 37.586 16.127 692 HD2 LYS 85 HD2 LYS 85 12.729 36.978 17.932 693 HD3 LYS 85 HD3 LYS 85 13.794 36.325 16.679 694 HE2 LYS 85 HE2 LYS 85 12.733 39.195 16.830 695 HE3 LYS 85 HE3 LYS 85 14.314 38.684 17.422 696 HZ1 LYS 85 HZ1 LYS 85 14.970 38.140 15.194 697 HZ2 LYS 85 HZ2 LYS 85 13.480 38.437 14.587 698 HZ3 LYS 85 HZ3 LYS 85 14.370 39.664 15.177 699 H HIS 86 H HIS 86 10.304 36.005 20.088 700 HA HIS 86 HA HIS 86 8.101 37.694 20.144 701 HB2 HIS 86 HB2 HIS 86 10.761 38.175 21.541 702 HB3 HIS 86 HB3 HIS 86 9.254 38.999 21.928 703 HD2 HIS 86 HD2 HIS 86 7.967 35.656 21.443 704 HE1 HIS 86 HE1 HIS 86 9.358 35.549 25.471 705 HE2 HIS 86 HE2 HIS 86 7.913 34.377 23.735 706 H GLY 87 H GLY 87 7.540 39.792 19.647 707 HA2 GLY 87 HA2 GLY 87 7.723 41.875 18.612 708 HA3 GLY 87 HA3 GLY 87 9.350 41.503 18.056 709 H GLN 88 H GLN 88 7.897 38.753 17.046 710 HA GLN 88 HA GLN 88 7.411 39.601 14.361 711 HB2 GLN 88 HB2 GLN 88 8.256 37.390 14.871 712 HB3 GLN 88 HB3 GLN 88 6.842 37.026 15.853 713 HG2 GLN 88 HG2 GLN 88 6.749 35.808 13.796 714 HG3 GLN 88 HG3 GLN 88 5.416 36.937 13.853 715 HE21 GLN 88 HE21 GLN 88 7.502 36.928 10.537 716 HE22 GLN 88 HE22 GLN 88 7.248 35.570 11.622 717 H LEU 89 H LEU 89 5.550 39.577 13.189 718 HA LEU 89 HA LEU 89 3.151 40.700 14.345 719 HB2 LEU 89 HB2 LEU 89 4.031 41.356 12.209 720 HB3 LEU 89 HB3 LEU 89 3.923 39.736 11.566 721 HG LEU 89 HG LEU 89 2.270 41.546 10.824 722 HD11 LEU 89 HD11 LEU 89 0.550 40.014 10.304 723 HD12 LEU 89 HD12 LEU 89 2.069 39.112 10.278 724 HD13 LEU 89 HD13 LEU 89 0.960 38.957 11.662 725 HD21 LEU 89 HD21 LEU 89 0.755 40.769 13.347 726 HD22 LEU 89 HD22 LEU 89 1.570 42.328 13.059 727 HD23 LEU 89 HD23 LEU 89 0.213 41.832 12.037 728 H LYS 90 H LYS 90 2.181 39.389 15.761 729 HA LYS 90 HA LYS 90 1.793 36.630 15.706 730 HB2 LYS 90 HB2 LYS 90 1.407 38.235 17.612 731 HB3 LYS 90 HB3 LYS 90 -0.114 38.724 16.835 732 HG2 LYS 90 HG2 LYS 90 -0.170 37.199 18.856 733 HG3 LYS 90 HG3 LYS 90 -1.245 36.915 17.503 734 HD2 LYS 90 HD2 LYS 90 -0.221 34.974 16.869 735 HD3 LYS 90 HD3 LYS 90 1.330 35.347 17.671 736 HE2 LYS 90 HE2 LYS 90 0.661 34.440 19.636 737 HE3 LYS 90 HE3 LYS 90 -0.905 35.269 19.579 738 HZ1 LYS 90 HZ1 LYS 90 -1.732 33.550 18.129 739 HZ2 LYS 90 HZ2 LYS 90 -0.276 32.713 18.194 740 HZ3 LYS 90 HZ3 LYS 90 -1.200 32.900 19.534 741 H LEU 91 H LEU 91 -0.255 39.012 14.022 742 HA LEU 91 HA LEU 91 -2.454 37.465 13.508 743 HB2 LEU 91 HB2 LEU 91 -2.287 39.809 13.049 744 HB3 LEU 91 HB3 LEU 91 -1.212 39.533 11.698 745 HG LEU 91 HG LEU 91 -3.555 40.148 11.170 746 HD11 LEU 91 HD11 LEU 91 -2.087 39.081 9.486 747 HD12 LEU 91 HD12 LEU 91 -2.781 37.503 9.920 748 HD13 LEU 91 HD13 LEU 91 -3.811 38.764 9.247 749 HD21 LEU 91 HD21 LEU 91 -5.342 38.548 11.231 750 HD22 LEU 91 HD22 LEU 91 -4.286 37.297 11.899 751 HD23 LEU 91 HD23 LEU 91 -4.696 38.735 12.869 752 H SER 92 H SER 92 0.678 37.103 11.973 753 HA SER 92 HA SER 92 -0.159 35.390 9.789 754 HB2 SER 92 HB2 SER 92 1.943 36.693 9.829 755 HB3 SER 92 HB3 SER 92 2.522 35.737 11.203 756 HG SER 92 HG SER 92 3.329 35.016 9.161 757 H ILE 93 H ILE 93 0.622 34.723 13.178 758 HA ILE 93 HA ILE 93 0.069 31.837 12.687 759 HB ILE 93 HB ILE 93 2.241 32.560 13.777 760 HG12 ILE 93 HG12 ILE 93 0.509 30.560 15.312 761 HG13 ILE 93 HG13 ILE 93 1.235 30.257 13.718 762 HG21 ILE 93 HG21 ILE 93 2.137 32.902 16.234 763 HG22 ILE 93 HG22 ILE 93 1.404 34.222 15.326 764 HG23 ILE 93 HG23 ILE 93 0.391 32.979 16.138 765 HD11 ILE 93 HD11 ILE 93 3.454 30.792 14.703 766 HD12 ILE 93 HD12 ILE 93 2.702 30.776 16.306 767 HD13 ILE 93 HD13 ILE 93 2.678 29.305 15.319 768 H GLN 94 H GLN 94 -1.559 34.676 13.711 769 HA GLN 94 HA GLN 94 -3.255 33.555 15.666 770 HB2 GLN 94 HB2 GLN 94 -3.665 35.779 13.697 771 HB3 GLN 94 HB3 GLN 94 -5.022 35.204 14.654 772 HG2 GLN 94 HG2 GLN 94 -2.428 36.233 15.821 773 HG3 GLN 94 HG3 GLN 94 -3.956 37.116 15.760 774 HE21 GLN 94 HE21 GLN 94 -5.362 35.315 18.524 775 HE22 GLN 94 HE22 GLN 94 -5.750 36.331 17.150 776 H TYR 95 H TYR 95 -3.225 33.235 12.162 777 HA TYR 95 HA TYR 95 -5.607 31.844 11.640 778 HB2 TYR 95 HB2 TYR 95 -2.777 31.551 10.553 779 HB3 TYR 95 HB3 TYR 95 -4.147 30.667 9.882 780 HD1 TYR 95 HD1 TYR 95 -2.359 33.819 9.884 781 HD2 TYR 95 HD2 TYR 95 -6.155 31.967 8.976 782 HE1 TYR 95 HE1 TYR 95 -2.949 35.731 8.410 783 HE2 TYR 95 HE2 TYR 95 -6.746 33.898 7.527 784 HH TYR 95 HH TYR 95 -6.071 35.880 6.671 785 H MET 96 H MET 96 -2.924 30.664 13.629 786 HA MET 96 HA MET 96 -3.799 27.865 13.612 787 HB2 MET 96 HB2 MET 96 -2.024 29.376 15.545 788 HB3 MET 96 HB3 MET 96 -2.160 27.613 15.400 789 HG2 MET 96 HG2 MET 96 -1.002 29.510 13.335 790 HG3 MET 96 HG3 MET 96 -0.113 28.354 14.322 791 HE1 MET 96 HE1 MET 96 -0.338 28.920 10.962 792 HE2 MET 96 HE2 MET 96 0.958 28.040 11.794 793 HE3 MET 96 HE3 MET 96 0.071 27.262 10.468 794 H ILE 97 H ILE 97 -4.597 30.777 15.437 795 HA ILE 97 HA ILE 97 -5.860 29.584 17.683 796 HB ILE 97 HB ILE 97 -5.671 32.198 16.902 797 HG12 ILE 97 HG12 ILE 97 -7.614 32.458 18.780 798 HG13 ILE 97 HG13 ILE 97 -7.287 30.743 18.982 799 HG21 ILE 97 HG21 ILE 97 -7.879 33.152 16.559 800 HG22 ILE 97 HG22 ILE 97 -7.589 31.986 15.267 801 HG23 ILE 97 HG23 ILE 97 -8.640 31.545 16.637 802 HD11 ILE 97 HD11 ILE 97 -5.834 31.852 20.490 803 HD12 ILE 97 HD12 ILE 97 -4.789 31.455 19.108 804 HD13 ILE 97 HD13 ILE 97 -5.396 33.105 19.275 805 H GLN 98 H GLN 98 -6.941 29.745 14.309 806 HA GLN 98 HA GLN 98 -9.633 29.016 14.702 807 HB2 GLN 98 HB2 GLN 98 -8.565 29.941 12.637 808 HB3 GLN 98 HB3 GLN 98 -7.827 28.360 12.333 809 HG2 GLN 98 HG2 GLN 98 -10.036 27.336 12.059 810 HG3 GLN 98 HG3 GLN 98 -10.829 28.837 12.554 811 HE21 GLN 98 HE21 GLN 98 -11.126 28.875 8.911 812 HE22 GLN 98 HE22 GLN 98 -11.847 28.062 10.296 813 H LYS 99 H LYS 99 -6.754 27.043 14.940 814 HA LYS 99 HA LYS 99 -8.269 24.504 14.950 815 HB2 LYS 99 HB2 LYS 99 -5.288 25.177 15.215 816 HB3 LYS 99 HB3 LYS 99 -5.910 23.550 15.357 817 HG2 LYS 99 HG2 LYS 99 -6.368 25.317 12.903 818 HG3 LYS 99 HG3 LYS 99 -5.040 24.176 13.055 819 HD2 LYS 99 HD2 LYS 99 -6.426 22.296 12.968 820 HD3 LYS 99 HD3 LYS 99 -7.862 23.151 13.486 821 HE2 LYS 99 HE2 LYS 99 -8.003 24.361 11.353 822 HE3 LYS 99 HE3 LYS 99 -6.576 23.503 10.754 823 HZ1 LYS 99 HZ1 LYS 99 -8.709 22.452 10.084 824 HZ2 LYS 99 HZ2 LYS 99 -7.795 21.424 10.966 825 HZ3 LYS 99 HZ3 LYS 99 -9.090 22.178 11.656 826 H VAL 100 H VAL 100 -6.617 26.631 17.278 827 HA VAL 100 HA VAL 100 -7.298 25.010 19.546 828 HB VAL 100 HB VAL 100 -6.385 27.779 19.000 829 HG11 VAL 100 HG11 VAL 100 -6.789 28.761 21.182 830 HG12 VAL 100 HG12 VAL 100 -8.275 28.548 20.287 831 HG13 VAL 100 HG13 VAL 100 -7.886 27.421 21.605 832 HG21 VAL 100 HG21 VAL 100 -4.934 27.227 20.981 833 HG22 VAL 100 HG22 VAL 100 -5.845 25.734 21.191 834 HG23 VAL 100 HG23 VAL 100 -4.893 25.986 19.720 835 H MET 101 H MET 101 -9.045 27.665 17.996 836 HA MET 101 HA MET 101 -11.489 27.469 19.368 837 HB2 MET 101 HB2 MET 101 -10.788 28.302 16.538 838 HB3 MET 101 HB3 MET 101 -12.383 28.556 17.221 839 HG2 MET 101 HG2 MET 101 -9.901 29.672 18.560 840 HG3 MET 101 HG3 MET 101 -10.659 30.495 17.213 841 HE1 MET 101 HE1 MET 101 -12.829 31.827 17.241 842 HE2 MET 101 HE2 MET 101 -13.766 30.347 17.548 843 HE3 MET 101 HE3 MET 101 -14.029 31.788 18.550 844 H GLU 102 H GLU 102 -10.127 25.059 17.447 845 HA GLU 102 HA GLU 102 -12.733 24.005 16.636 846 HB2 GLU 102 HB2 GLU 102 -11.085 24.102 14.870 847 HB3 GLU 102 HB3 GLU 102 -10.012 23.010 15.760 848 HG2 GLU 102 HG2 GLU 102 -11.474 21.163 15.482 849 HG3 GLU 102 HG3 GLU 102 -12.848 22.195 15.102 850 H TYR 103 H TYR 103 -10.097 21.795 17.656 851 HA TYR 103 HA TYR 103 -12.310 20.355 18.951 852 HB2 TYR 103 HB2 TYR 103 -10.823 19.154 17.428 853 HB3 TYR 103 HB3 TYR 103 -9.446 19.531 18.453 854 HD1 TYR 103 HD1 TYR 103 -12.561 17.532 18.189 855 HD2 TYR 103 HD2 TYR 103 -9.036 18.347 20.522 856 HE1 TYR 103 HE1 TYR 103 -12.983 15.486 19.545 857 HE2 TYR 103 HE2 TYR 103 -9.475 16.322 21.908 858 HH TYR 103 HH TYR 103 -12.274 14.193 21.274 859 H LEU 104 H LEU 104 -9.280 21.828 19.812 860 HA LEU 104 HA LEU 104 -9.074 21.215 22.563 861 HB2 LEU 104 HB2 LEU 104 -7.314 21.920 21.101 862 HB3 LEU 104 HB3 LEU 104 -8.116 23.414 20.708 863 HG LEU 104 HG LEU 104 -6.094 23.642 22.076 864 HD11 LEU 104 HD11 LEU 104 -8.184 25.235 22.165 865 HD12 LEU 104 HD12 LEU 104 -8.413 24.592 23.799 866 HD13 LEU 104 HD13 LEU 104 -6.886 25.387 23.361 867 HD21 LEU 104 HD21 LEU 104 -7.688 22.307 24.302 868 HD22 LEU 104 HD22 LEU 104 -6.284 21.646 23.431 869 HD23 LEU 104 HD23 LEU 104 -6.098 23.086 24.448 870 H LYS 105 H LYS 105 -10.930 23.799 20.906 871 HA LYS 105 HA LYS 105 -12.165 24.647 23.411 872 HB2 LYS 105 HB2 LYS 105 -12.466 25.483 20.524 873 HB3 LYS 105 HB3 LYS 105 -13.708 25.881 21.720 874 HG2 LYS 105 HG2 LYS 105 -11.665 26.720 23.199 875 HG3 LYS 105 HG3 LYS 105 -10.852 26.851 21.637 876 HD2 LYS 105 HD2 LYS 105 -12.699 28.321 20.834 877 HD3 LYS 105 HD3 LYS 105 -13.538 28.099 22.379 878 HE2 LYS 105 HE2 LYS 105 -11.594 29.094 23.585 879 HE3 LYS 105 HE3 LYS 105 -10.781 29.378 22.035 880 HZ1 LYS 105 HZ1 LYS 105 -11.952 31.358 22.839 881 HZ2 LYS 105 HZ2 LYS 105 -12.591 30.867 21.425 882 HZ3 LYS 105 HZ3 LYS 105 -13.383 30.578 22.831 883 H SER 106 H SER 106 -13.593 23.268 20.471 884 HA SER 106 HA SER 106 -16.140 22.965 21.603 885 HB2 SER 106 HB2 SER 106 -16.794 21.763 19.620 886 HB3 SER 106 HB3 SER 106 -15.737 23.118 19.187 887 HG SER 106 HG SER 106 -14.072 21.750 18.878 888 H SER 107 H SER 107 -13.548 20.806 22.269 889 HA SER 107 HA SER 107 -14.941 18.411 22.882 890 HB2 SER 107 HB2 SER 107 -12.708 19.810 24.408 891 HB3 SER 107 HB3 SER 107 -13.244 18.157 24.713 892 HG SER 107 HG SER 107 -12.062 19.188 22.330 893 H LYS 108 H LYS 108 -15.071 21.531 24.476 894 HA LYS 108 HA LYS 108 -16.025 22.419 26.325 895 HB2 LYS 108 HB2 LYS 108 -18.080 20.240 25.815 896 HB3 LYS 108 HB3 LYS 108 -18.299 21.587 26.931 897 HG2 LYS 108 HG2 LYS 108 -18.011 23.208 25.072 898 HG3 LYS 108 HG3 LYS 108 -17.813 21.869 23.934 899 HD2 LYS 108 HD2 LYS 108 -20.083 21.041 24.494 900 HD3 LYS 108 HD3 LYS 108 -20.285 22.387 25.640 901 HE2 LYS 108 HE2 LYS 108 -19.980 24.014 23.782 902 HE3 LYS 108 HE3 LYS 108 -19.787 22.677 22.637 903 HZ1 LYS 108 HZ1 LYS 108 -22.054 23.522 22.634 904 HZ2 LYS 108 HZ2 LYS 108 -22.066 21.990 23.175 905 HZ3 LYS 108 HZ3 LYS 108 -22.236 23.225 24.224 906 H SER 109 H SER 109 -14.986 19.210 26.758 907 HA SER 109 HA SER 109 -15.466 19.244 29.630 908 HB2 SER 109 HB2 SER 109 -14.538 16.915 27.905 909 HB3 SER 109 HB3 SER 109 -15.211 16.845 29.546 910 HG SER 109 HG SER 109 -16.534 17.546 27.130 911 H LEU 110 H LEU 110 -13.171 20.582 28.230 912 HA LEU 110 HA LEU 110 -10.738 19.519 29.315 913 HB2 LEU 110 HB2 LEU 110 -11.591 22.262 28.305 914 HB3 LEU 110 HB3 LEU 110 -10.087 22.097 29.186 915 HG LEU 110 HG LEU 110 -9.595 22.088 26.879 916 HD11 LEU 110 HD11 LEU 110 -8.170 20.234 26.755 917 HD12 LEU 110 HD12 LEU 110 -8.376 20.542 28.497 918 HD13 LEU 110 HD13 LEU 110 -9.234 19.199 27.718 919 HD21 LEU 110 HD21 LEU 110 -11.304 19.592 26.528 920 HD22 LEU 110 HD22 LEU 110 -11.715 21.239 25.960 921 HD23 LEU 110 HD23 LEU 110 -10.309 20.396 25.294 922 H ASP 111 H ASP 111 -9.626 19.982 31.098 923 HA ASP 111 HA ASP 111 -10.959 21.071 33.452 924 HB2 ASP 111 HB2 ASP 111 -8.088 20.151 33.030 925 HB3 ASP 111 HB3 ASP 111 -8.766 20.703 34.561 926 H LEU 112 H LEU 112 -10.503 23.015 34.388 927 HA LEU 112 HA LEU 112 -9.875 25.276 32.823 928 HB2 LEU 112 HB2 LEU 112 -9.799 24.781 35.834 929 HB3 LEU 112 HB3 LEU 112 -9.271 26.305 35.149 930 HG LEU 112 HG LEU 112 -11.507 26.650 34.102 931 HD11 LEU 112 HD11 LEU 112 -12.310 24.165 35.681 932 HD12 LEU 112 HD12 LEU 112 -13.437 25.315 34.926 933 HD13 LEU 112 HD13 LEU 112 -12.357 24.365 33.911 934 HD21 LEU 112 HD21 LEU 112 -11.551 26.152 37.105 935 HD22 LEU 112 HD22 LEU 112 -10.956 27.619 36.294 936 HD23 LEU 112 HD23 LEU 112 -12.671 27.197 36.199 937 H ASN 113 H ASN 113 -7.716 23.399 34.926 938 HA ASN 113 HA ASN 113 -5.544 25.136 34.777 939 HB2 ASN 113 HB2 ASN 113 -5.444 22.091 35.016 940 HB3 ASN 113 HB3 ASN 113 -4.250 23.221 35.664 941 HD21 ASN 113 HD21 ASN 113 -6.232 23.993 38.547 942 HD22 ASN 113 HD22 ASN 113 -4.871 24.518 37.564 943 H THR 114 H THR 114 -6.600 22.755 32.411 944 HA THR 114 HA THR 114 -4.147 22.892 30.767 945 HB THR 114 HB THR 114 -6.839 21.514 30.600 946 HG1 THR 114 HG1 THR 114 -5.221 19.786 30.259 947 HG21 THR 114 HG21 THR 114 -4.810 21.708 28.348 948 HG22 THR 114 HG22 THR 114 -6.150 20.527 28.457 949 HG23 THR 114 HG23 THR 114 -6.511 22.249 28.341 950 H ARG 115 H ARG 115 -7.564 23.980 30.519 951 HA ARG 115 HA ARG 115 -7.276 25.450 28.093 952 HB2 ARG 115 HB2 ARG 115 -9.396 24.770 29.017 953 HB3 ARG 115 HB3 ARG 115 -9.173 25.771 30.458 954 HG2 ARG 115 HG2 ARG 115 -9.482 27.817 29.309 955 HG3 ARG 115 HG3 ARG 115 -9.102 27.114 27.720 956 HD2 ARG 115 HD2 ARG 115 -11.415 26.105 29.355 957 HD3 ARG 115 HD3 ARG 115 -11.594 27.512 28.269 958 HE ARG 115 HE ARG 115 -10.401 25.524 26.688 959 HH11 ARG 115 HH11 ARG 115 -13.504 25.936 28.249 960 HH12 ARG 115 HH12 ARG 115 -14.290 24.804 27.183 961 HH21 ARG 115 HH21 ARG 115 -11.445 23.946 25.456 962 HH22 ARG 115 HH22 ARG 115 -13.177 23.822 25.589 963 H ILE 116 H ILE 116 -6.833 26.535 31.393 964 HA ILE 116 HA ILE 116 -6.348 29.235 31.115 965 HB ILE 116 HB ILE 116 -5.284 27.088 32.875 966 HG12 ILE 116 HG12 ILE 116 -6.614 29.798 33.424 967 HG13 ILE 116 HG13 ILE 116 -7.523 28.341 33.064 968 HG21 ILE 116 HG21 ILE 116 -3.906 28.655 34.218 969 HG22 ILE 116 HG22 ILE 116 -3.248 28.318 32.621 970 HG23 ILE 116 HG23 ILE 116 -4.071 29.872 32.928 971 HD11 ILE 116 HD11 ILE 116 -6.547 27.230 35.088 972 HD12 ILE 116 HD12 ILE 116 -5.764 28.774 35.515 973 HD13 ILE 116 HD13 ILE 116 -7.532 28.658 35.448 974 H SER 117 H SER 117 -4.108 26.649 30.262 975 HA SER 117 HA SER 117 -1.834 28.273 29.613 976 HB2 SER 117 HB2 SER 117 -2.652 25.637 28.324 977 HB3 SER 117 HB3 SER 117 -1.049 26.377 28.270 978 HG SER 117 HG SER 117 -1.270 24.724 29.835 979 H VAL 118 H VAL 118 -4.771 27.582 27.893 980 HA VAL 118 HA VAL 118 -3.871 28.405 25.204 981 HB VAL 118 HB VAL 118 -6.717 27.921 26.171 982 HG11 VAL 118 HG11 VAL 118 -7.243 27.538 23.905 983 HG12 VAL 118 HG12 VAL 118 -6.417 29.081 24.016 984 HG13 VAL 118 HG13 VAL 118 -5.525 27.669 23.412 985 HG21 VAL 118 HG21 VAL 118 -6.617 25.630 25.585 986 HG22 VAL 118 HG22 VAL 118 -4.893 25.765 25.106 987 HG23 VAL 118 HG23 VAL 118 -5.400 25.956 26.806 988 H ILE 119 H ILE 119 -6.250 29.377 27.592 989 HA ILE 119 HA ILE 119 -7.006 31.760 26.335 990 HB ILE 119 HB ILE 119 -8.092 30.066 28.051 991 HG12 ILE 119 HG12 ILE 119 -9.795 31.703 28.742 992 HG13 ILE 119 HG13 ILE 119 -8.800 33.012 28.083 993 HG21 ILE 119 HG21 ILE 119 -6.406 30.808 29.833 994 HG22 ILE 119 HG22 ILE 119 -7.556 32.113 30.142 995 HG23 ILE 119 HG23 ILE 119 -8.089 30.398 30.244 996 HD11 ILE 119 HD11 ILE 119 -9.033 32.076 25.821 997 HD12 ILE 119 HD12 ILE 119 -9.786 30.603 26.479 998 HD13 ILE 119 HD13 ILE 119 -10.646 32.161 26.552 999 H GLU 120 H GLU 120 -4.333 31.280 28.505 1000 HA GLU 120 HA GLU 120 -3.891 34.179 28.703 1001 HB2 GLU 120 HB2 GLU 120 -2.614 31.801 30.044 1002 HB3 GLU 120 HB3 GLU 120 -1.942 33.438 30.138 1003 HG2 GLU 120 HG2 GLU 120 -4.134 34.291 30.960 1004 HG3 GLU 120 HG3 GLU 120 -4.760 32.637 30.999 1005 H THR 121 H THR 121 -2.241 31.357 27.136 1006 HA THR 121 HA THR 121 0.113 32.729 26.387 1007 HB THR 121 HB THR 121 -0.396 30.299 26.149 1008 HG1 THR 121 HG1 THR 121 0.950 29.992 24.570 1009 HG21 THR 121 HG21 THR 121 -1.465 29.395 24.237 1010 HG22 THR 121 HG22 THR 121 -2.519 30.753 24.676 1011 HG23 THR 121 HG23 THR 121 -1.382 30.923 23.337 1012 H ILE 122 H ILE 122 -2.938 32.559 24.622 1013 HA ILE 122 HA ILE 122 -2.491 34.282 22.468 1014 HB ILE 122 HB ILE 122 -4.335 32.753 22.829 1015 HG12 ILE 122 HG12 ILE 122 -4.643 34.546 21.180 1016 HG13 ILE 122 HG13 ILE 122 -6.102 33.817 21.843 1017 HG21 ILE 122 HG21 ILE 122 -5.491 34.660 24.888 1018 HG22 ILE 122 HG22 ILE 122 -6.182 33.133 24.302 1019 HG23 ILE 122 HG23 ILE 122 -4.675 33.115 25.216 1020 HD11 ILE 122 HD11 ILE 122 -6.553 35.812 23.199 1021 HD12 ILE 122 HD12 ILE 122 -5.056 36.580 22.612 1022 HD13 ILE 122 HD13 ILE 122 -6.374 36.232 21.489 1023 H ARG 123 H ARG 123 -3.372 35.159 25.842 1024 HA ARG 123 HA ARG 123 -3.512 38.039 25.303 1025 HB2 ARG 123 HB2 ARG 123 -3.586 36.299 27.804 1026 HB3 ARG 123 HB3 ARG 123 -3.389 38.048 27.923 1027 HG2 ARG 123 HG2 ARG 123 -5.425 38.484 26.744 1028 HG3 ARG 123 HG3 ARG 123 -5.643 36.770 26.329 1029 HD2 ARG 123 HD2 ARG 123 -5.926 36.185 28.711 1030 HD3 ARG 123 HD3 ARG 123 -5.617 37.863 29.171 1031 HE ARG 123 HE ARG 123 -7.766 38.463 28.564 1032 HH11 ARG 123 HH11 ARG 123 -7.321 35.144 27.394 1033 HH12 ARG 123 HH12 ARG 123 -8.966 35.115 26.799 1034 HH21 ARG 123 HH21 ARG 123 -9.817 38.234 27.858 1035 HH22 ARG 123 HH22 ARG 123 -10.337 36.751 27.105 1036 H VAL 124 H VAL 124 -0.964 35.872 26.527 1037 HA VAL 124 HA VAL 124 0.941 37.954 27.040 1038 HB VAL 124 HB VAL 124 1.291 35.005 26.397 1039 HG11 VAL 124 HG11 VAL 124 3.400 36.093 25.790 1040 HG12 VAL 124 HG12 VAL 124 3.402 36.992 27.329 1041 HG13 VAL 124 HG13 VAL 124 3.591 35.227 27.311 1042 HG21 VAL 124 HG21 VAL 124 1.540 36.566 29.006 1043 HG22 VAL 124 HG22 VAL 124 0.170 35.537 28.562 1044 HG23 VAL 124 HG23 VAL 124 1.761 34.816 28.802 1045 H VAL 125 H VAL 125 0.507 35.901 24.110 1046 HA VAL 125 HA VAL 125 2.632 37.390 22.813 1047 HB VAL 125 HB VAL 125 0.891 35.208 21.660 1048 HG11 VAL 125 HG11 VAL 125 2.072 36.516 19.893 1049 HG12 VAL 125 HG12 VAL 125 3.592 36.339 20.788 1050 HG13 VAL 125 HG13 VAL 125 2.813 34.919 20.083 1051 HG21 VAL 125 HG21 VAL 125 3.653 35.097 22.969 1052 HG22 VAL 125 HG22 VAL 125 2.158 34.408 23.637 1053 HG23 VAL 125 HG23 VAL 125 2.839 33.740 22.155 1054 H THR 126 H THR 126 -0.960 37.539 22.425 1055 HA THR 126 HA THR 126 -0.768 39.121 19.988 1056 HB THR 126 HB THR 126 -3.106 39.790 20.387 1057 HG1 THR 126 HG1 THR 126 -3.024 38.122 22.647 1058 HG21 THR 126 HG21 THR 126 -2.822 37.734 19.188 1059 HG22 THR 126 HG22 THR 126 -2.592 36.801 20.682 1060 HG23 THR 126 HG23 THR 126 -4.162 37.538 20.318 1061 H GLU 127 H GLU 127 0.049 40.085 23.152 1062 HA GLU 127 HA GLU 127 -0.499 42.935 22.779 1063 HB2 GLU 127 HB2 GLU 127 1.294 41.377 24.667 1064 HB3 GLU 127 HB3 GLU 127 1.206 43.146 24.647 1065 HG2 GLU 127 HG2 GLU 127 -1.232 43.066 25.051 1066 HG3 GLU 127 HG3 GLU 127 -1.197 41.315 25.115 1067 H ASN 128 H ASN 128 1.712 40.812 21.260 1068 HA ASN 128 HA ASN 128 3.773 42.730 20.607 1069 HB2 ASN 128 HB2 ASN 128 2.909 40.076 19.420 1070 HB3 ASN 128 HB3 ASN 128 4.193 41.044 18.708 1071 HD21 ASN 128 HD21 ASN 128 4.964 39.096 22.208 1072 HD22 ASN 128 HD22 ASN 128 3.314 39.176 21.578 1073 H LYS 129 H LYS 129 0.541 42.901 19.805 1074 HA LYS 129 HA LYS 129 0.640 44.016 17.132 1075 HB2 LYS 129 HB2 LYS 129 -1.323 44.074 19.452 1076 HB3 LYS 129 HB3 LYS 129 -1.628 45.038 18.033 1077 HG2 LYS 129 HG2 LYS 129 -1.163 42.031 17.909 1078 HG3 LYS 129 HG3 LYS 129 -2.747 42.767 18.110 1079 HD2 LYS 129 HD2 LYS 129 -0.926 43.222 15.703 1080 HD3 LYS 129 HD3 LYS 129 -2.293 42.099 15.777 1081 HE2 LYS 129 HE2 LYS 129 -3.835 43.998 16.247 1082 HE3 LYS 129 HE3 LYS 129 -2.480 45.129 16.120 1083 HZ1 LYS 129 HZ1 LYS 129 -3.710 44.991 14.047 1084 HZ2 LYS 129 HZ2 LYS 129 -2.207 44.422 13.798 1085 HZ3 LYS 129 HZ3 LYS 129 -3.472 43.393 13.919 1086 H ILE 130 H ILE 130 1.998 45.305 19.915 1087 HA ILE 130 HA ILE 130 1.520 48.050 19.801 1088 HB ILE 130 HB ILE 130 3.940 48.256 20.608 1089 HG12 ILE 130 HG12 ILE 130 3.796 45.203 20.674 1090 HG13 ILE 130 HG13 ILE 130 4.807 46.147 19.583 1091 HG21 ILE 130 HG21 ILE 130 3.351 47.497 22.817 1092 HG22 ILE 130 HG22 ILE 130 1.933 48.202 22.044 1093 HG23 ILE 130 HG23 ILE 130 2.079 46.435 22.166 1094 HD11 ILE 130 HD11 ILE 130 6.187 45.379 21.384 1095 HD12 ILE 130 HD12 ILE 130 5.955 47.123 21.627 1096 HD13 ILE 130 HD13 ILE 130 5.047 45.949 22.611 1097 H PHE 131 H PHE 131 2.354 49.765 18.834 1098 HA PHE 131 HA PHE 131 3.287 49.555 16.121 1099 HB2 PHE 131 HB2 PHE 131 3.087 52.011 17.904 1100 HB3 PHE 131 HB3 PHE 131 3.265 52.012 16.157 1101 HD1 PHE 131 HD1 PHE 131 1.405 50.816 14.757 1102 HD2 PHE 131 HD2 PHE 131 0.907 52.073 18.853 1103 HE1 PHE 131 HE1 PHE 131 -1.064 50.760 14.476 1104 HE2 PHE 131 HE2 PHE 131 -1.556 52.018 18.572 1105 HZ PHE 131 HZ PHE 131 -2.549 51.360 16.383 1106 H VAL 132 H VAL 132 4.915 50.281 19.177 1107 HA VAL 132 HA VAL 132 7.477 50.863 17.933 1108 HB VAL 132 HB VAL 132 6.989 50.320 20.859 1109 HG11 VAL 132 HG11 VAL 132 9.358 50.400 20.264 1110 HG12 VAL 132 HG12 VAL 132 9.120 51.944 19.413 1111 HG13 VAL 132 HG13 VAL 132 8.933 51.846 21.172 1112 HG21 VAL 132 HG21 VAL 132 6.805 52.803 21.171 1113 HG22 VAL 132 HG22 VAL 132 6.727 52.993 19.405 1114 HG23 VAL 132 HG23 VAL 132 5.435 52.136 20.281 1115 H GLU 133 H GLU 133 9.267 49.546 18.109 1116 HA GLU 133 HA GLU 133 9.070 46.757 18.883 1117 HB2 GLU 133 HB2 GLU 133 9.706 47.597 16.025 1118 HB3 GLU 133 HB3 GLU 133 9.880 45.956 16.671 1119 HG2 GLU 133 HG2 GLU 133 7.417 45.913 17.130 1120 HG3 GLU 133 HG3 GLU 133 7.278 47.512 16.390 1121 H VAL 134 H VAL 134 11.199 45.649 18.774 1122 HA VAL 134 HA VAL 134 13.367 47.523 19.390 1123 HB VAL 134 HB VAL 134 14.405 45.680 20.649 1124 HG11 VAL 134 HG11 VAL 134 12.818 47.260 21.692 1125 HG12 VAL 134 HG12 VAL 134 11.488 46.126 21.379 1126 HG13 VAL 134 HG13 VAL 134 12.809 45.658 22.471 1127 HG21 VAL 134 HG21 VAL 134 13.203 43.589 21.037 1128 HG22 VAL 134 HG22 VAL 134 11.901 44.082 19.937 1129 HG23 VAL 134 HG23 VAL 134 13.532 43.776 19.307 1130 H GLU 135 H GLU 135 12.694 46.745 16.712 1131 HA GLU 135 HA GLU 135 15.407 46.082 15.753 1132 HB2 GLU 135 HB2 GLU 135 12.831 45.196 14.404 1133 HB3 GLU 135 HB3 GLU 135 14.475 44.972 13.781 1134 HG2 GLU 135 HG2 GLU 135 15.002 43.656 15.883 1135 HG3 GLU 135 HG3 GLU 135 13.276 43.697 16.274 1136 H ARG 136 H ARG 136 14.459 48.586 16.442 1137 HA ARG 136 HA ARG 136 14.019 50.081 13.870 1138 HB2 ARG 136 HB2 ARG 136 13.077 50.795 16.673 1139 HB3 ARG 136 HB3 ARG 136 12.746 51.700 15.202 1140 HG2 ARG 136 HG2 ARG 136 11.713 48.879 15.784 1141 HG3 ARG 136 HG3 ARG 136 10.837 50.367 16.087 1142 HD2 ARG 136 HD2 ARG 136 9.967 49.534 14.072 1143 HD3 ARG 136 HD3 ARG 136 10.976 50.918 13.622 1144 HE ARG 136 HE ARG 136 12.651 48.684 13.404 1145 HH11 ARG 136 HH11 ARG 136 13.070 47.567 11.647 1146 HH12 ARG 136 HH12 ARG 136 11.956 47.555 10.292 1147 HH21 ARG 136 HH21 ARG 136 9.656 49.608 11.803 1148 HH22 ARG 136 HH22 ARG 136 10.068 48.670 10.388 Start of MODEL 15 1 H1 MET 1 H1 MET 1 3.753 1.926 -22.340 2 H2 MET 1 H2 MET 1 3.949 0.358 -22.787 3 H3 MET 1 H3 MET 1 3.513 1.481 -23.894 4 HA MET 1 HA MET 1 1.620 0.173 -23.354 5 HB2 MET 1 HB2 MET 1 0.702 0.069 -21.131 6 HB3 MET 1 HB3 MET 1 2.351 -0.535 -21.087 7 HG2 MET 1 HG2 MET 1 3.147 1.544 -20.103 8 HG3 MET 1 HG3 MET 1 1.572 2.300 -20.289 9 HE1 MET 1 HE1 MET 1 -0.515 1.908 -18.788 10 HE2 MET 1 HE2 MET 1 -0.561 0.175 -19.200 11 HE3 MET 1 HE3 MET 1 -0.602 0.685 -17.502 12 H SER 2 H SER 2 -0.540 1.078 -23.229 13 HA SER 2 HA SER 2 -0.643 3.892 -23.983 14 HB2 SER 2 HB2 SER 2 -3.001 3.378 -24.484 15 HB3 SER 2 HB3 SER 2 -1.887 2.225 -25.227 16 HG SER 2 HG SER 2 -3.437 1.881 -22.880 17 H ARG 3 H ARG 3 0.227 4.345 -21.645 18 HA ARG 3 HA ARG 3 -1.733 4.419 -19.476 19 HB2 ARG 3 HB2 ARG 3 0.811 4.078 -19.316 20 HB3 ARG 3 HB3 ARG 3 0.966 5.815 -19.540 21 HG2 ARG 3 HG2 ARG 3 -0.472 6.136 -17.482 22 HG3 ARG 3 HG3 ARG 3 -0.546 4.385 -17.286 23 HD2 ARG 3 HD2 ARG 3 2.027 6.025 -17.317 24 HD3 ARG 3 HD3 ARG 3 1.161 5.559 -15.849 25 HE ARG 3 HE ARG 3 1.602 3.145 -17.183 26 HH11 ARG 3 HH11 ARG 3 3.698 5.620 -15.819 27 HH12 ARG 3 HH12 ARG 3 4.985 4.472 -15.555 28 HH21 ARG 3 HH21 ARG 3 3.288 1.784 -16.828 29 HH22 ARG 3 HH22 ARG 3 4.754 2.379 -16.093 30 H ASP 4 H ASP 4 -3.017 5.650 -21.408 31 HA ASP 4 HA ASP 4 -2.577 8.531 -21.509 32 HB2 ASP 4 HB2 ASP 4 -4.907 6.847 -22.513 33 HB3 ASP 4 HB3 ASP 4 -4.652 8.552 -22.873 34 H ALA 5 H ALA 5 -4.731 6.477 -19.602 35 HA ALA 5 HA ALA 5 -6.209 8.719 -18.444 36 HB1 ALA 5 HB1 ALA 5 -7.061 6.992 -16.897 37 HB2 ALA 5 HB2 ALA 5 -7.232 6.496 -18.593 38 HB3 ALA 5 HB3 ALA 5 -5.941 5.804 -17.590 39 HA PRO 6 HA PRO 6 -2.488 9.534 -16.056 40 HB2 PRO 6 HB2 PRO 6 -3.122 11.883 -14.852 41 HB3 PRO 6 HB3 PRO 6 -2.888 11.751 -16.621 42 HG2 PRO 6 HG2 PRO 6 -5.511 11.711 -15.087 43 HG3 PRO 6 HG3 PRO 6 -5.092 12.688 -16.531 44 HD2 PRO 6 HD2 PRO 6 -6.431 10.293 -16.691 45 HD3 PRO 6 HD3 PRO 6 -5.294 10.842 -17.965 46 H ILE 7 H ILE 7 -1.716 9.127 -13.981 47 HA ILE 7 HA ILE 7 -3.657 8.207 -11.956 48 HB ILE 7 HB ILE 7 -0.700 7.592 -12.242 49 HG12 ILE 7 HG12 ILE 7 -2.536 5.297 -12.459 50 HG13 ILE 7 HG13 ILE 7 -2.889 6.491 -13.697 51 HG21 ILE 7 HG21 ILE 7 -1.375 7.503 -9.888 52 HG22 ILE 7 HG22 ILE 7 -2.778 6.484 -10.298 53 HG23 ILE 7 HG23 ILE 7 -1.119 5.873 -10.500 54 HD11 ILE 7 HD11 ILE 7 -0.542 6.504 -14.422 55 HD12 ILE 7 HD12 ILE 7 -0.146 5.295 -13.176 56 HD13 ILE 7 HD13 ILE 7 -1.249 4.875 -14.507 57 H LYS 8 H LYS 8 -4.190 9.919 -10.709 58 HA LYS 8 HA LYS 8 -2.055 11.863 -9.961 59 HB2 LYS 8 HB2 LYS 8 -4.999 12.349 -10.424 60 HB3 LYS 8 HB3 LYS 8 -3.838 13.587 -9.965 61 HG2 LYS 8 HG2 LYS 8 -3.633 11.967 -12.545 62 HG3 LYS 8 HG3 LYS 8 -4.464 13.495 -12.389 63 HD2 LYS 8 HD2 LYS 8 -2.408 13.987 -13.352 64 HD3 LYS 8 HD3 LYS 8 -2.325 14.595 -11.688 65 HE2 LYS 8 HE2 LYS 8 -0.831 12.760 -11.064 66 HE3 LYS 8 HE3 LYS 8 -1.051 11.995 -12.646 67 HZ1 LYS 8 HZ1 LYS 8 0.029 13.946 -13.639 68 HZ2 LYS 8 HZ2 LYS 8 0.215 14.643 -12.180 69 HZ3 LYS 8 HZ3 LYS 8 1.009 13.270 -12.531 70 H ALA 9 H ALA 9 -3.173 9.467 -8.270 71 HA ALA 9 HA ALA 9 -3.486 11.006 -5.754 72 HB1 ALA 9 HB1 ALA 9 -4.630 8.872 -5.873 73 HB2 ALA 9 HB2 ALA 9 -3.073 8.037 -6.156 74 HB3 ALA 9 HB3 ALA 9 -3.355 8.914 -4.624 75 H ASP 10 H ASP 10 -1.641 12.193 -6.570 76 HA ASP 10 HA ASP 10 1.047 11.291 -6.676 77 HB2 ASP 10 HB2 ASP 10 -0.044 13.419 -7.585 78 HB3 ASP 10 HB3 ASP 10 -0.058 14.016 -5.911 79 H LYS 11 H LYS 11 -0.974 11.869 -4.016 80 HA LYS 11 HA LYS 11 -0.802 12.272 -1.777 81 HB2 LYS 11 HB2 LYS 11 0.122 9.946 -1.981 82 HB3 LYS 11 HB3 LYS 11 1.746 10.635 -1.864 83 HG2 LYS 11 HG2 LYS 11 1.168 11.597 0.341 84 HG3 LYS 11 HG3 LYS 11 -0.450 10.895 0.282 85 HD2 LYS 11 HD2 LYS 11 1.970 9.087 0.065 86 HD3 LYS 11 HD3 LYS 11 1.474 9.776 1.603 87 HE2 LYS 11 HE2 LYS 11 0.400 7.721 1.605 88 HE3 LYS 11 HE3 LYS 11 -0.869 8.885 1.212 89 HZ1 LYS 11 HZ1 LYS 11 -0.930 6.888 -0.205 90 HZ2 LYS 11 HZ2 LYS 11 -0.648 8.187 -1.136 91 HZ3 LYS 11 HZ3 LYS 11 0.569 7.162 -0.763 92 H ASP 12 H ASP 12 -0.482 14.433 -2.715 93 HA ASP 12 HA ASP 12 2.067 15.824 -2.273 94 HB2 ASP 12 HB2 ASP 12 0.880 17.727 -3.262 95 HB3 ASP 12 HB3 ASP 12 0.821 16.298 -4.265 96 H TYR 13 H TYR 13 0.843 18.336 -1.457 97 HA TYR 13 HA TYR 13 1.447 18.332 1.183 98 HB2 TYR 13 HB2 TYR 13 -0.605 20.228 0.026 99 HB3 TYR 13 HB3 TYR 13 0.571 20.551 1.293 100 HD1 TYR 13 HD1 TYR 13 3.153 20.017 0.484 101 HD2 TYR 13 HD2 TYR 13 -0.145 21.118 -2.080 102 HE1 TYR 13 HE1 TYR 13 4.756 20.696 -1.294 103 HE2 TYR 13 HE2 TYR 13 1.465 21.832 -3.837 104 HH TYR 13 HH TYR 13 3.641 22.003 -4.437 105 H SER 14 H SER 14 0.566 18.083 3.065 106 HA SER 14 HA SER 14 -0.627 17.326 4.762 107 HB2 SER 14 HB2 SER 14 -2.933 17.462 4.965 108 HB3 SER 14 HB3 SER 14 -2.445 18.878 4.020 109 HG SER 14 HG SER 14 -3.030 17.624 2.142 110 H GLN 15 H GLN 15 -1.250 15.727 1.652 111 HA GLN 15 HA GLN 15 -1.934 13.179 2.844 112 HB2 GLN 15 HB2 GLN 15 -0.837 13.528 0.080 113 HB3 GLN 15 HB3 GLN 15 -1.966 12.316 0.682 114 HG2 GLN 15 HG2 GLN 15 -2.608 15.243 0.170 115 HG3 GLN 15 HG3 GLN 15 -3.053 13.879 -0.833 116 HE21 GLN 15 HE21 GLN 15 -6.060 14.687 1.169 117 HE22 GLN 15 HE22 GLN 15 -5.097 15.507 -0.054 118 H ILE 16 H ILE 16 1.047 14.883 2.254 119 HA ILE 16 HA ILE 16 3.066 12.961 2.497 120 HB ILE 16 HB ILE 16 2.688 15.629 3.985 121 HG12 ILE 16 HG12 ILE 16 4.346 15.117 1.507 122 HG13 ILE 16 HG13 ILE 16 2.657 15.619 1.472 123 HG21 ILE 16 HG21 ILE 16 5.198 15.688 4.215 124 HG22 ILE 16 HG22 ILE 16 4.424 14.478 5.218 125 HG23 ILE 16 HG23 ILE 16 5.243 13.995 3.712 126 HD11 ILE 16 HD11 ILE 16 3.178 17.669 2.736 127 HD12 ILE 16 HD12 ILE 16 4.913 17.269 2.640 128 HD13 ILE 16 HD13 ILE 16 3.986 17.578 1.162 129 H LEU 17 H LEU 17 1.046 14.271 5.112 130 HA LEU 17 HA LEU 17 2.412 12.839 7.190 131 HB2 LEU 17 HB2 LEU 17 -0.281 14.147 6.983 132 HB3 LEU 17 HB3 LEU 17 0.539 13.706 8.513 133 HG LEU 17 HG LEU 17 1.888 15.663 6.661 134 HD11 LEU 17 HD11 LEU 17 -0.296 16.489 8.605 135 HD12 LEU 17 HD12 LEU 17 0.690 17.526 7.552 136 HD13 LEU 17 HD13 LEU 17 -0.461 16.409 6.834 137 HD21 LEU 17 HD21 LEU 17 1.657 15.595 9.707 138 HD22 LEU 17 HD22 LEU 17 2.857 14.637 8.818 139 HD23 LEU 17 HD23 LEU 17 2.888 16.425 8.735 140 H LYS 18 H LYS 18 0.342 11.615 4.764 141 HA LYS 18 HA LYS 18 -0.935 9.469 6.242 142 HB2 LYS 18 HB2 LYS 18 -0.292 9.618 3.295 143 HB3 LYS 18 HB3 LYS 18 -1.388 8.491 4.049 144 HG2 LYS 18 HG2 LYS 18 -1.927 11.455 4.272 145 HG3 LYS 18 HG3 LYS 18 -2.267 10.601 2.753 146 HD2 LYS 18 HD2 LYS 18 -3.766 9.043 4.005 147 HD3 LYS 18 HD3 LYS 18 -3.361 9.866 5.529 148 HE2 LYS 18 HE2 LYS 18 -4.311 11.985 4.640 149 HE3 LYS 18 HE3 LYS 18 -4.700 11.181 3.117 150 HZ1 LYS 18 HZ1 LYS 18 -6.621 11.267 4.584 151 HZ2 LYS 18 HZ2 LYS 18 -6.208 9.713 4.354 152 HZ3 LYS 18 HZ3 LYS 18 -5.849 10.455 5.758 153 H GLU 19 H GLU 19 2.083 10.078 4.495 154 HA GLU 19 HA GLU 19 2.880 7.239 4.782 155 HB2 GLU 19 HB2 GLU 19 4.378 7.535 3.018 156 HB3 GLU 19 HB3 GLU 19 2.835 8.230 2.522 157 HG2 GLU 19 HG2 GLU 19 3.669 10.461 2.697 158 HG3 GLU 19 HG3 GLU 19 5.080 9.963 3.626 159 H GLU 20 H GLU 20 3.919 10.512 5.669 160 HA GLU 20 HA GLU 20 6.442 9.710 6.788 161 HB2 GLU 20 HB2 GLU 20 4.633 12.133 7.200 162 HB3 GLU 20 HB3 GLU 20 6.163 11.946 8.049 163 HG2 GLU 20 HG2 GLU 20 5.891 11.789 5.015 164 HG3 GLU 20 HG3 GLU 20 6.276 13.269 5.887 165 H PHE 21 H PHE 21 3.174 9.808 8.173 166 HA PHE 21 HA PHE 21 4.003 9.468 10.901 167 HB2 PHE 21 HB2 PHE 21 1.817 10.187 10.619 168 HB3 PHE 21 HB3 PHE 21 1.412 8.909 9.494 169 HD1 PHE 21 HD1 PHE 21 2.830 9.078 13.005 170 HD2 PHE 21 HD2 PHE 21 -0.090 7.328 10.354 171 HE1 PHE 21 HE1 PHE 21 1.942 7.721 14.879 172 HE2 PHE 21 HE2 PHE 21 -0.968 5.967 12.230 173 HZ PHE 21 HZ PHE 21 0.036 6.164 14.498 174 HA PRO 22 HA PRO 22 3.961 4.660 10.204 175 HB2 PRO 22 HB2 PRO 22 4.597 4.797 7.260 176 HB3 PRO 22 HB3 PRO 22 3.842 3.467 8.198 177 HG2 PRO 22 HG2 PRO 22 2.299 5.171 6.735 178 HG3 PRO 22 HG3 PRO 22 1.780 4.671 8.384 179 HD2 PRO 22 HD2 PRO 22 3.044 7.252 7.502 180 HD3 PRO 22 HD3 PRO 22 1.770 6.949 8.712 181 H LYS 23 H LYS 23 6.158 6.918 8.378 182 HA LYS 23 HA LYS 23 8.504 5.272 8.765 183 HB2 LYS 23 HB2 LYS 23 8.300 8.275 8.309 184 HB3 LYS 23 HB3 LYS 23 9.778 7.316 8.199 185 HG2 LYS 23 HG2 LYS 23 8.894 6.033 6.311 186 HG3 LYS 23 HG3 LYS 23 7.330 6.827 6.462 187 HD2 LYS 23 HD2 LYS 23 8.629 9.053 6.109 188 HD3 LYS 23 HD3 LYS 23 9.947 8.026 5.515 189 HE2 LYS 23 HE2 LYS 23 8.371 7.030 3.840 190 HE3 LYS 23 HE3 LYS 23 7.068 8.037 4.486 191 HZ1 LYS 23 HZ1 LYS 23 7.913 9.165 2.595 192 HZ2 LYS 23 HZ2 LYS 23 8.496 10.004 3.868 193 HZ3 LYS 23 HZ3 LYS 23 9.483 8.982 3.050 194 H ILE 24 H ILE 24 6.876 7.645 10.788 195 HA ILE 24 HA ILE 24 9.023 7.529 12.814 196 HB ILE 24 HB ILE 24 8.290 9.329 13.761 197 HG12 ILE 24 HG12 ILE 24 5.334 9.287 13.135 198 HG13 ILE 24 HG13 ILE 24 5.885 8.264 14.435 199 HG21 ILE 24 HG21 ILE 24 8.329 9.852 11.283 200 HG22 ILE 24 HG22 ILE 24 6.561 9.643 11.319 201 HG23 ILE 24 HG23 ILE 24 7.305 10.967 12.223 202 HD11 ILE 24 HD11 ILE 24 5.167 10.683 14.958 203 HD12 ILE 24 HD12 ILE 24 6.526 9.950 15.793 204 HD13 ILE 24 HD13 ILE 24 6.835 11.106 14.467 205 H ASP 25 H ASP 25 6.022 5.945 12.137 206 HA ASP 25 HA ASP 25 5.140 5.488 14.767 207 HB2 ASP 25 HB2 ASP 25 3.865 5.295 12.670 208 HB3 ASP 25 HB3 ASP 25 4.739 3.817 12.257 209 H SER 26 H SER 26 7.487 3.691 12.876 210 HA SER 26 HA SER 26 8.024 1.549 14.766 211 HB2 SER 26 HB2 SER 26 9.648 2.893 12.574 212 HB3 SER 26 HB3 SER 26 10.151 1.397 13.403 213 HG SER 26 HG SER 26 8.347 0.365 12.560 214 H LEU 27 H LEU 27 9.074 4.907 14.553 215 HA LEU 27 HA LEU 27 11.373 4.573 16.322 216 HB2 LEU 27 HB2 LEU 27 11.770 5.958 14.457 217 HB3 LEU 27 HB3 LEU 27 10.222 6.775 14.617 218 HG LEU 27 HG LEU 27 10.982 7.850 16.710 219 HD11 LEU 27 HD11 LEU 27 13.394 7.905 17.221 220 HD12 LEU 27 HD12 LEU 27 12.795 6.250 17.331 221 HD13 LEU 27 HD13 LEU 27 13.724 6.753 15.905 222 HD21 LEU 27 HD21 LEU 27 12.406 9.505 15.591 223 HD22 LEU 27 HD22 LEU 27 12.736 8.364 14.268 224 HD23 LEU 27 HD23 LEU 27 11.096 8.996 14.517 225 H ALA 28 H ALA 28 8.348 6.492 16.372 226 HA ALA 28 HA ALA 28 8.585 7.683 18.869 227 HB1 ALA 28 HB1 ALA 28 6.043 6.712 17.472 228 HB2 ALA 28 HB2 ALA 28 6.142 8.008 18.685 229 HB3 ALA 28 HB3 ALA 28 6.902 8.210 17.100 230 H GLN 29 H GLN 29 7.497 4.448 18.178 231 HA GLN 29 HA GLN 29 6.615 3.739 20.827 232 HB2 GLN 29 HB2 GLN 29 7.563 2.070 18.471 233 HB3 GLN 29 HB3 GLN 29 7.005 1.359 19.990 234 HG2 GLN 29 HG2 GLN 29 4.823 2.517 19.760 235 HG3 GLN 29 HG3 GLN 29 5.333 3.181 18.206 236 HE21 GLN 29 HE21 GLN 29 4.756 0.120 16.451 237 HE22 GLN 29 HE22 GLN 29 5.415 1.766 16.372 238 H ASN 30 H ASN 30 9.743 4.538 19.890 239 HA ASN 30 HA ASN 30 11.019 2.980 22.053 240 HB2 ASN 30 HB2 ASN 30 11.930 3.383 19.170 241 HB3 ASN 30 HB3 ASN 30 12.965 2.752 20.446 242 HD21 ASN 30 HD21 ASN 30 10.523 0.182 18.598 243 HD22 ASN 30 HD22 ASN 30 10.729 1.819 17.998 244 H ASP 31 H ASP 31 11.384 5.826 19.914 245 HA ASP 31 HA ASP 31 12.624 7.426 22.084 246 HB2 ASP 31 HB2 ASP 31 13.898 6.886 19.375 247 HB3 ASP 31 HB3 ASP 31 14.379 8.195 20.455 248 H CYS 32 H CYS 32 10.263 8.143 21.826 249 HA CYS 32 HA CYS 32 9.479 9.519 19.481 250 HB2 CYS 32 HB2 CYS 32 8.000 8.637 21.387 251 HB3 CYS 32 HB3 CYS 32 8.386 10.154 22.228 252 HG CYS 32 HG CYS 32 7.781 11.665 20.084 253 H ASN 33 H ASN 33 11.614 10.608 21.927 254 HA ASN 33 HA ASN 33 11.443 13.428 21.632 255 HB2 ASN 33 HB2 ASN 33 12.707 12.202 23.404 256 HB3 ASN 33 HB3 ASN 33 13.879 11.676 22.186 257 HD21 ASN 33 HD21 ASN 33 15.759 14.625 22.607 258 HD22 ASN 33 HD22 ASN 33 15.703 12.948 22.094 259 H SER 34 H SER 34 12.879 10.990 19.492 260 HA SER 34 HA SER 34 13.868 13.070 17.609 261 HB2 SER 34 HB2 SER 34 13.900 10.039 17.452 262 HB3 SER 34 HB3 SER 34 14.611 11.149 16.267 263 HG SER 34 HG SER 34 16.155 10.399 17.782 264 H ALA 35 H ALA 35 11.135 10.868 18.046 265 HA ALA 35 HA ALA 35 10.187 10.980 15.338 266 HB1 ALA 35 HB1 ALA 35 8.311 10.442 17.606 267 HB2 ALA 35 HB2 ALA 35 8.606 9.536 16.096 268 HB3 ALA 35 HB3 ALA 35 9.719 9.374 17.438 269 H LEU 36 H LEU 36 9.444 12.995 18.202 270 HA LEU 36 HA LEU 36 7.503 14.603 16.839 271 HB2 LEU 36 HB2 LEU 36 7.660 16.072 18.746 272 HB3 LEU 36 HB3 LEU 36 7.693 14.399 19.254 273 HG LEU 36 HG LEU 36 10.336 14.770 19.263 274 HD11 LEU 36 HD11 LEU 36 9.252 17.581 19.772 275 HD12 LEU 36 HD12 LEU 36 10.930 17.043 20.000 276 HD13 LEU 36 HD13 LEU 36 10.234 17.114 18.382 277 HD21 LEU 36 HD21 LEU 36 10.143 15.421 21.640 278 HD22 LEU 36 HD22 LEU 36 8.433 15.854 21.387 279 HD23 LEU 36 HD23 LEU 36 8.973 14.168 21.212 280 H ASP 37 H ASP 37 10.949 14.598 16.829 281 HA ASP 37 HA ASP 37 11.214 17.014 15.185 282 HB2 ASP 37 HB2 ASP 37 13.168 14.893 16.073 283 HB3 ASP 37 HB3 ASP 37 13.606 16.121 14.910 284 H GLN 38 H GLN 38 9.807 14.152 14.415 285 HA GLN 38 HA GLN 38 10.577 14.459 11.582 286 HB2 GLN 38 HB2 GLN 38 9.175 12.146 12.997 287 HB3 GLN 38 HB3 GLN 38 9.386 12.255 11.254 288 HG2 GLN 38 HG2 GLN 38 11.677 12.293 13.252 289 HG3 GLN 38 HG3 GLN 38 11.076 10.829 12.484 290 HE21 GLN 38 HE21 GLN 38 14.032 11.936 10.521 291 HE22 GLN 38 HE22 GLN 38 13.748 11.429 12.182 292 H LEU 39 H LEU 39 7.473 13.823 13.409 293 HA LEU 39 HA LEU 39 5.987 14.844 11.179 294 HB2 LEU 39 HB2 LEU 39 5.067 14.625 14.071 295 HB3 LEU 39 HB3 LEU 39 4.031 14.892 12.661 296 HG LEU 39 HG LEU 39 5.652 12.466 13.381 297 HD11 LEU 39 HD11 LEU 39 3.438 12.737 14.482 298 HD12 LEU 39 HD12 LEU 39 2.663 12.841 12.886 299 HD13 LEU 39 HD13 LEU 39 3.456 11.341 13.394 300 HD21 LEU 39 HD21 LEU 39 4.083 12.963 10.800 301 HD22 LEU 39 HD22 LEU 39 5.836 12.669 10.928 302 HD23 LEU 39 HD23 LEU 39 4.711 11.384 11.320 303 H LEU 40 H LEU 40 6.960 16.589 14.225 304 HA LEU 40 HA LEU 40 5.377 18.899 13.340 305 HB2 LEU 40 HB2 LEU 40 7.315 18.865 15.643 306 HB3 LEU 40 HB3 LEU 40 6.064 20.024 15.314 307 HG LEU 40 HG LEU 40 4.810 18.972 16.853 308 HD11 LEU 40 HD11 LEU 40 4.597 16.483 15.153 309 HD12 LEU 40 HD12 LEU 40 3.456 17.122 16.322 310 HD13 LEU 40 HD13 LEU 40 3.718 17.961 14.777 311 HD21 LEU 40 HD21 LEU 40 6.354 16.423 16.646 312 HD22 LEU 40 HD22 LEU 40 6.935 17.843 17.549 313 HD23 LEU 40 HD23 LEU 40 5.416 17.086 18.002 314 H VAL 41 H VAL 41 8.419 17.732 12.506 315 HA VAL 41 HA VAL 41 9.604 20.265 11.701 316 HB VAL 41 HB VAL 41 10.295 17.365 11.223 317 HG11 VAL 41 HG11 VAL 41 11.732 19.803 10.062 318 HG12 VAL 41 HG12 VAL 41 12.408 18.159 10.135 319 HG13 VAL 41 HG13 VAL 41 10.986 18.476 9.143 320 HG21 VAL 41 HG21 VAL 41 12.350 18.141 12.509 321 HG22 VAL 41 HG22 VAL 41 11.660 19.764 12.604 322 HG23 VAL 41 HG23 VAL 41 10.855 18.408 13.423 323 H LEU 42 H LEU 42 7.540 17.780 10.200 324 HA LEU 42 HA LEU 42 7.515 18.867 7.552 325 HB2 LEU 42 HB2 LEU 42 5.255 17.674 9.178 326 HB3 LEU 42 HB3 LEU 42 5.168 17.984 7.463 327 HG LEU 42 HG LEU 42 7.205 16.074 8.708 328 HD11 LEU 42 HD11 LEU 42 4.540 15.454 7.344 329 HD12 LEU 42 HD12 LEU 42 5.765 14.276 7.863 330 HD13 LEU 42 HD13 LEU 42 4.940 15.244 9.068 331 HD21 LEU 42 HD21 LEU 42 6.322 16.700 5.853 332 HD22 LEU 42 HD22 LEU 42 7.941 16.916 6.546 333 HD23 LEU 42 HD23 LEU 42 7.324 15.286 6.293 334 H GLU 43 H GLU 43 5.328 19.560 10.306 335 HA GLU 43 HA GLU 43 4.022 21.833 9.350 336 HB2 GLU 43 HB2 GLU 43 3.829 20.668 11.613 337 HB3 GLU 43 HB3 GLU 43 5.139 21.674 12.162 338 HG2 GLU 43 HG2 GLU 43 2.465 22.629 11.057 339 HG3 GLU 43 HG3 GLU 43 2.929 22.621 12.752 340 H LYS 44 H LYS 44 7.150 21.833 11.034 341 HA LYS 44 HA LYS 44 7.724 24.583 10.912 342 HB2 LYS 44 HB2 LYS 44 8.891 22.754 12.246 343 HB3 LYS 44 HB3 LYS 44 9.760 22.311 10.771 344 HG2 LYS 44 HG2 LYS 44 10.778 24.577 10.681 345 HG3 LYS 44 HG3 LYS 44 9.862 25.048 12.127 346 HD2 LYS 44 HD2 LYS 44 11.035 23.296 13.442 347 HD3 LYS 44 HD3 LYS 44 11.945 22.814 11.993 348 HE2 LYS 44 HE2 LYS 44 12.912 25.105 11.847 349 HE3 LYS 44 HE3 LYS 44 11.998 25.585 13.284 350 HZ1 LYS 44 HZ1 LYS 44 14.093 23.481 13.227 351 HZ2 LYS 44 HZ2 LYS 44 14.274 24.978 13.839 352 HZ3 LYS 44 HZ3 LYS 44 13.254 23.926 14.551 353 H LYS 45 H LYS 45 8.564 22.109 8.528 354 HA LYS 45 HA LYS 45 9.834 23.910 6.627 355 HB2 LYS 45 HB2 LYS 45 10.271 21.467 6.810 356 HB3 LYS 45 HB3 LYS 45 8.618 21.122 6.303 357 HG2 LYS 45 HG2 LYS 45 9.037 22.157 4.095 358 HG3 LYS 45 HG3 LYS 45 10.626 22.712 4.631 359 HD2 LYS 45 HD2 LYS 45 10.922 20.806 3.210 360 HD3 LYS 45 HD3 LYS 45 11.380 20.355 4.853 361 HE2 LYS 45 HE2 LYS 45 9.193 19.212 5.166 362 HE3 LYS 45 HE3 LYS 45 8.683 19.732 3.551 363 HZ1 LYS 45 HZ1 LYS 45 9.530 17.460 3.519 364 HZ2 LYS 45 HZ2 LYS 45 10.499 18.412 2.624 365 HZ3 LYS 45 HZ3 LYS 45 10.975 17.927 4.106 366 H THR 46 H THR 46 6.548 22.518 6.821 367 HA THR 46 HA THR 46 5.593 23.562 4.350 368 HB THR 46 HB THR 46 3.329 23.146 5.253 369 HG1 THR 46 HG1 THR 46 4.782 22.051 7.375 370 HG21 THR 46 HG21 THR 46 4.083 21.342 4.064 371 HG22 THR 46 HG22 THR 46 5.506 21.069 5.098 372 HG23 THR 46 HG23 THR 46 3.902 20.607 5.686 373 H ARG 47 H ARG 47 5.310 25.040 7.629 374 HA ARG 47 HA ARG 47 3.872 27.329 6.625 375 HB2 ARG 47 HB2 ARG 47 4.095 26.650 9.055 376 HB3 ARG 47 HB3 ARG 47 5.702 27.359 9.089 377 HG2 ARG 47 HG2 ARG 47 3.272 28.922 8.149 378 HG3 ARG 47 HG3 ARG 47 3.592 28.708 9.863 379 HD2 ARG 47 HD2 ARG 47 5.574 29.961 9.821 380 HD3 ARG 47 HD3 ARG 47 5.719 29.930 8.073 381 HE ARG 47 HE ARG 47 3.820 31.560 9.674 382 HH11 ARG 47 HH11 ARG 47 4.790 30.689 6.369 383 HH12 ARG 47 HH12 ARG 47 4.020 32.116 5.732 384 HH21 ARG 47 HH21 ARG 47 2.909 33.328 8.709 385 HH22 ARG 47 HH22 ARG 47 2.988 33.515 6.983 386 H GLN 48 H GLN 48 7.352 26.707 6.851 387 HA GLN 48 HA GLN 48 8.114 29.374 6.063 388 HB2 GLN 48 HB2 GLN 48 9.632 26.751 6.273 389 HB3 GLN 48 HB3 GLN 48 10.401 28.271 5.810 390 HG2 GLN 48 HG2 GLN 48 8.881 27.845 8.426 391 HG3 GLN 48 HG3 GLN 48 10.626 27.689 8.249 392 HE21 GLN 48 HE21 GLN 48 9.922 31.100 9.579 393 HE22 GLN 48 HE22 GLN 48 9.611 29.459 10.134 394 H ALA 49 H ALA 49 7.813 26.297 4.281 395 HA ALA 49 HA ALA 49 8.749 27.320 1.773 396 HB1 ALA 49 HB1 ALA 49 8.991 24.986 2.545 397 HB2 ALA 49 HB2 ALA 49 7.225 24.794 2.549 398 HB3 ALA 49 HB3 ALA 49 8.092 25.054 1.016 399 H SER 50 H SER 50 5.800 27.894 3.294 400 HA SER 50 HA SER 50 3.707 28.404 2.729 401 HB2 SER 50 HB2 SER 50 4.698 29.066 -0.059 402 HB3 SER 50 HB3 SER 50 3.142 29.517 0.656 403 HG SER 50 HG SER 50 5.724 30.283 1.553 404 H ASP 51 H ASP 51 4.588 25.739 2.561 405 HA ASP 51 HA ASP 51 2.591 24.419 0.772 406 HB2 ASP 51 HB2 ASP 51 4.883 23.257 2.380 407 HB3 ASP 51 HB3 ASP 51 3.733 22.317 1.440 408 H LEU 52 H LEU 52 2.112 26.098 3.128 409 HA LEU 52 HA LEU 52 1.706 24.775 5.472 410 HB2 LEU 52 HB2 LEU 52 0.440 26.580 6.208 411 HB3 LEU 52 HB3 LEU 52 1.805 27.167 5.246 412 HG LEU 52 HG LEU 52 -1.086 26.998 4.248 413 HD11 LEU 52 HD11 LEU 52 0.478 29.332 5.407 414 HD12 LEU 52 HD12 LEU 52 -1.115 29.447 4.618 415 HD13 LEU 52 HD13 LEU 52 -0.941 28.525 6.120 416 HD21 LEU 52 HD21 LEU 52 0.473 27.050 2.396 417 HD22 LEU 52 HD22 LEU 52 -0.219 28.663 2.557 418 HD23 LEU 52 HD23 LEU 52 1.424 28.339 3.166 419 H ALA 53 H ALA 53 -0.346 24.613 2.796 420 HA ALA 53 HA ALA 53 -2.813 23.691 3.844 421 HB1 ALA 53 HB1 ALA 53 -2.970 22.372 1.753 422 HB2 ALA 53 HB2 ALA 53 -2.344 24.000 1.429 423 HB3 ALA 53 HB3 ALA 53 -1.230 22.608 1.467 424 H SER 54 H SER 54 0.333 22.150 3.906 425 HA SER 54 HA SER 54 -0.708 19.652 5.146 426 HB2 SER 54 HB2 SER 54 1.202 19.738 3.435 427 HB3 SER 54 HB3 SER 54 2.156 20.474 4.683 428 HG SER 54 HG SER 54 2.087 18.615 5.857 429 H SER 55 H SER 55 1.427 22.423 6.155 430 HA SER 55 HA SER 55 1.804 21.990 8.847 431 HB2 SER 55 HB2 SER 55 2.520 24.114 7.971 432 HB3 SER 55 HB3 SER 55 0.892 24.517 7.459 433 HG SER 55 HG SER 55 2.068 24.755 9.951 434 H LYS 56 H LYS 56 -1.159 23.206 7.407 435 HA LYS 56 HA LYS 56 -2.727 23.554 9.732 436 HB2 LYS 56 HB2 LYS 56 -3.446 23.073 6.820 437 HB3 LYS 56 HB3 LYS 56 -4.672 23.401 8.052 438 HG2 LYS 56 HG2 LYS 56 -3.722 25.558 8.577 439 HG3 LYS 56 HG3 LYS 56 -2.302 25.261 7.576 440 HD2 LYS 56 HD2 LYS 56 -3.786 26.772 6.425 441 HD3 LYS 56 HD3 LYS 56 -3.699 25.238 5.544 442 HE2 LYS 56 HE2 LYS 56 -5.868 24.539 6.540 443 HE3 LYS 56 HE3 LYS 56 -5.939 26.048 7.466 444 HZ1 LYS 56 HZ1 LYS 56 -5.983 25.855 4.500 445 HZ2 LYS 56 HZ2 LYS 56 -7.260 26.185 5.443 446 HZ3 LYS 56 HZ3 LYS 56 -6.038 27.249 5.345 447 H GLU 57 H GLU 57 -1.959 20.525 8.247 448 HA GLU 57 HA GLU 57 -4.064 19.121 9.821 449 HB2 GLU 57 HB2 GLU 57 -2.197 18.157 7.651 450 HB3 GLU 57 HB3 GLU 57 -3.254 17.098 8.594 451 HG2 GLU 57 HG2 GLU 57 -4.107 19.370 6.782 452 HG3 GLU 57 HG3 GLU 57 -4.321 17.639 6.480 453 H VAL 58 H VAL 58 -0.496 19.534 9.601 454 HA VAL 58 HA VAL 58 0.057 17.634 11.707 455 HB VAL 58 HB VAL 58 1.725 20.065 11.667 456 HG11 VAL 58 HG11 VAL 58 3.488 18.475 12.020 457 HG12 VAL 58 HG12 VAL 58 2.148 17.974 13.047 458 HG13 VAL 58 HG13 VAL 58 2.467 17.115 11.528 459 HG21 VAL 58 HG21 VAL 58 1.528 19.919 9.295 460 HG22 VAL 58 HG22 VAL 58 3.083 19.198 9.722 461 HG23 VAL 58 HG23 VAL 58 1.703 18.164 9.338 462 H LEU 59 H LEU 59 -0.844 21.048 11.789 463 HA LEU 59 HA LEU 59 -0.496 21.691 14.471 464 HB2 LEU 59 HB2 LEU 59 -2.726 22.383 12.548 465 HB3 LEU 59 HB3 LEU 59 -2.690 23.037 14.181 466 HG LEU 59 HG LEU 59 -0.486 23.463 12.122 467 HD11 LEU 59 HD11 LEU 59 -2.642 24.627 11.635 468 HD12 LEU 59 HD12 LEU 59 -2.562 25.388 13.236 469 HD13 LEU 59 HD13 LEU 59 -1.311 25.731 12.014 470 HD21 LEU 59 HD21 LEU 59 0.136 25.268 13.833 471 HD22 LEU 59 HD22 LEU 59 -0.850 24.369 14.985 472 HD23 LEU 59 HD23 LEU 59 0.562 23.594 14.226 473 H ALA 60 H ALA 60 -3.073 19.618 13.217 474 HA ALA 60 HA ALA 60 -4.463 19.574 15.729 475 HB1 ALA 60 HB1 ALA 60 -4.722 17.907 13.182 476 HB2 ALA 60 HB2 ALA 60 -5.920 17.930 14.496 477 HB3 ALA 60 HB3 ALA 60 -5.608 19.406 13.547 478 H LYS 61 H LYS 61 -1.680 17.956 14.820 479 HA LYS 61 HA LYS 61 -1.974 16.343 17.244 480 HB2 LYS 61 HB2 LYS 61 -1.559 14.402 16.452 481 HB3 LYS 61 HB3 LYS 61 -2.191 15.103 14.965 482 HG2 LYS 61 HG2 LYS 61 0.764 14.738 15.588 483 HG3 LYS 61 HG3 LYS 61 -0.224 13.582 14.714 484 HD2 LYS 61 HD2 LYS 61 0.406 16.394 13.837 485 HD3 LYS 61 HD3 LYS 61 1.144 14.930 13.207 486 HE2 LYS 61 HE2 LYS 61 -1.783 15.750 12.952 487 HE3 LYS 61 HE3 LYS 61 -0.579 15.806 11.668 488 HZ1 LYS 61 HZ1 LYS 61 -0.463 13.342 11.778 489 HZ2 LYS 61 HZ2 LYS 61 -1.590 13.310 12.956 490 HZ3 LYS 61 HZ3 LYS 61 -1.982 13.835 11.478 491 H ILE 62 H ILE 62 -0.436 18.789 15.982 492 HA ILE 62 HA ILE 62 2.171 18.695 16.997 493 HB ILE 62 HB ILE 62 0.403 20.580 15.966 494 HG12 ILE 62 HG12 ILE 62 2.458 22.148 16.128 495 HG13 ILE 62 HG13 ILE 62 3.279 20.715 16.776 496 HG21 ILE 62 HG21 ILE 62 -0.460 21.274 18.032 497 HG22 ILE 62 HG22 ILE 62 1.174 21.629 18.684 498 HG23 ILE 62 HG23 ILE 62 0.500 22.560 17.322 499 HD11 ILE 62 HD11 ILE 62 2.219 19.516 14.706 500 HD12 ILE 62 HD12 ILE 62 1.921 21.146 14.098 501 HD13 ILE 62 HD13 ILE 62 3.597 20.625 14.416 502 H VAL 63 H VAL 63 -0.915 19.082 18.745 503 HA VAL 63 HA VAL 63 0.458 19.456 21.312 504 HB VAL 63 HB VAL 63 -1.788 20.380 20.860 505 HG11 VAL 63 HG11 VAL 63 -3.787 19.104 21.037 506 HG12 VAL 63 HG12 VAL 63 -2.830 18.429 19.713 507 HG13 VAL 63 HG13 VAL 63 -2.896 17.586 21.281 508 HG21 VAL 63 HG21 VAL 63 -1.068 20.322 23.109 509 HG22 VAL 63 HG22 VAL 63 -2.726 19.712 23.119 510 HG23 VAL 63 HG23 VAL 63 -1.383 18.579 23.246 511 H ASP 64 H ASP 64 -0.802 16.759 19.592 512 HA ASP 64 HA ASP 64 -0.765 14.842 21.676 513 HB2 ASP 64 HB2 ASP 64 -2.099 14.791 19.497 514 HB3 ASP 64 HB3 ASP 64 -0.607 14.346 18.667 515 H LEU 65 H LEU 65 1.753 15.932 19.486 516 HA LEU 65 HA LEU 65 3.638 13.933 20.677 517 HB2 LEU 65 HB2 LEU 65 3.824 15.583 18.171 518 HB3 LEU 65 HB3 LEU 65 5.255 14.957 19.000 519 HG LEU 65 HG LEU 65 4.206 12.609 18.800 520 HD11 LEU 65 HD11 LEU 65 2.647 12.330 16.904 521 HD12 LEU 65 HD12 LEU 65 1.913 13.309 18.178 522 HD13 LEU 65 HD13 LEU 65 2.557 14.101 16.729 523 HD21 LEU 65 HD21 LEU 65 6.110 13.178 17.551 524 HD22 LEU 65 HD22 LEU 65 4.973 12.401 16.458 525 HD23 LEU 65 HD23 LEU 65 5.168 14.169 16.400 526 H LEU 66 H LEU 66 3.635 17.572 20.014 527 HA LEU 66 HA LEU 66 5.973 17.910 21.598 528 HB2 LEU 66 HB2 LEU 66 3.767 19.865 20.968 529 HB3 LEU 66 HB3 LEU 66 5.265 20.344 21.732 530 HG LEU 66 HG LEU 66 5.052 19.126 18.980 531 HD11 LEU 66 HD11 LEU 66 3.828 21.203 19.022 532 HD12 LEU 66 HD12 LEU 66 5.128 22.028 19.888 533 HD13 LEU 66 HD13 LEU 66 5.369 21.503 18.200 534 HD21 LEU 66 HD21 LEU 66 7.316 20.115 18.677 535 HD22 LEU 66 HD22 LEU 66 7.300 20.642 20.372 536 HD23 LEU 66 HD23 LEU 66 7.298 18.909 19.976 537 H ALA 67 H ALA 67 2.713 19.069 22.565 538 HA ALA 67 HA ALA 67 3.256 19.597 25.256 539 HB1 ALA 67 HB1 ALA 67 0.633 18.323 24.388 540 HB2 ALA 67 HB2 ALA 67 0.893 19.673 25.507 541 HB3 ALA 67 HB3 ALA 67 1.093 19.879 23.738 542 H SER 68 H SER 68 2.521 16.490 23.871 543 HA SER 68 HA SER 68 2.100 15.048 26.326 544 HB2 SER 68 HB2 SER 68 1.096 14.371 24.186 545 HB3 SER 68 HB3 SER 68 2.709 14.053 23.524 546 HG SER 68 HG SER 68 1.362 12.698 25.621 547 H ARG 69 H ARG 69 4.951 15.509 24.238 548 HA ARG 69 HA ARG 69 6.606 13.644 25.882 549 HB2 ARG 69 HB2 ARG 69 6.929 14.856 23.122 550 HB3 ARG 69 HB3 ARG 69 8.274 14.105 23.956 551 HG2 ARG 69 HG2 ARG 69 7.214 12.610 22.357 552 HG3 ARG 69 HG3 ARG 69 7.280 11.965 23.993 553 HD2 ARG 69 HD2 ARG 69 4.906 12.310 24.319 554 HD3 ARG 69 HD3 ARG 69 4.764 13.164 22.773 555 HE ARG 69 HE ARG 69 5.737 10.851 21.885 556 HH11 ARG 69 HH11 ARG 69 2.982 11.286 24.067 557 HH12 ARG 69 HH12 ARG 69 2.361 9.716 23.632 558 HH21 ARG 69 HH21 ARG 69 4.810 8.977 21.376 559 HH22 ARG 69 HH22 ARG 69 3.322 8.483 22.153 560 H ASN 70 H ASN 70 5.665 16.137 26.877 561 HA ASN 70 HA ASN 70 6.196 17.966 27.939 562 HB2 ASN 70 HB2 ASN 70 8.787 16.480 28.486 563 HB3 ASN 70 HB3 ASN 70 8.285 17.920 29.359 564 HD21 ASN 70 HD21 ASN 70 6.994 14.516 30.812 565 HD22 ASN 70 HD22 ASN 70 8.441 14.722 29.830 566 H LYS 71 H LYS 71 6.753 18.129 25.098 567 HA LYS 71 HA LYS 71 8.518 20.485 25.098 568 HB2 LYS 71 HB2 LYS 71 7.311 19.282 22.619 569 HB3 LYS 71 HB3 LYS 71 8.670 20.378 22.740 570 HG2 LYS 71 HG2 LYS 71 8.613 17.431 23.497 571 HG3 LYS 71 HG3 LYS 71 9.375 18.165 22.088 572 HD2 LYS 71 HD2 LYS 71 10.991 19.352 23.537 573 HD3 LYS 71 HD3 LYS 71 10.236 18.622 24.980 574 HE2 LYS 71 HE2 LYS 71 10.726 16.355 24.109 575 HE3 LYS 71 HE3 LYS 71 11.453 17.057 22.656 576 HZ1 LYS 71 HZ1 LYS 71 13.159 18.059 24.086 577 HZ2 LYS 71 HZ2 LYS 71 12.505 17.362 25.411 578 HZ3 LYS 71 HZ3 LYS 71 13.136 16.434 24.218 579 H TRP 72 H TRP 72 5.880 20.293 26.311 580 HA TRP 72 HA TRP 72 3.942 21.930 25.081 581 HB2 TRP 72 HB2 TRP 72 3.717 22.741 27.622 582 HB3 TRP 72 HB3 TRP 72 3.174 21.179 27.037 583 HD1 TRP 72 HD1 TRP 72 3.593 19.350 28.581 584 HE1 TRP 72 HE1 TRP 72 5.293 18.718 30.367 585 HE3 TRP 72 HE3 TRP 72 6.711 23.444 28.322 586 HZ2 TRP 72 HZ2 TRP 72 7.749 19.725 31.452 587 HZ3 TRP 72 HZ3 TRP 72 8.744 23.537 29.709 588 HH2 TRP 72 HH2 TRP 72 9.285 21.694 31.280 589 H ASP 73 H ASP 73 7.110 22.906 26.132 590 HA ASP 73 HA ASP 73 6.785 25.725 26.297 591 HB2 ASP 73 HB2 ASP 73 8.787 24.312 26.935 592 HB3 ASP 73 HB3 ASP 73 9.123 24.082 25.217 593 H ASP 74 H ASP 74 6.906 23.563 23.469 594 HA ASP 74 HA ASP 74 7.090 25.763 21.573 595 HB2 ASP 74 HB2 ASP 74 6.748 22.777 21.241 596 HB3 ASP 74 HB3 ASP 74 6.857 23.919 19.902 597 H LEU 75 H LEU 75 4.373 23.976 23.079 598 HA LEU 75 HA LEU 75 2.375 24.402 21.113 599 HB2 LEU 75 HB2 LEU 75 2.476 23.844 24.029 600 HB3 LEU 75 HB3 LEU 75 1.019 24.611 23.386 601 HG LEU 75 HG LEU 75 1.038 22.112 23.619 602 HD11 LEU 75 HD11 LEU 75 -0.710 23.054 22.399 603 HD12 LEU 75 HD12 LEU 75 0.348 23.440 21.015 604 HD13 LEU 75 HD13 LEU 75 -0.098 21.763 21.362 605 HD21 LEU 75 HD21 LEU 75 2.710 22.200 21.084 606 HD22 LEU 75 HD22 LEU 75 3.279 21.665 22.689 607 HD23 LEU 75 HD23 LEU 75 1.993 20.781 21.842 608 H ASN 76 H ASN 76 3.592 26.536 23.628 609 HA ASN 76 HA ASN 76 2.055 28.852 23.377 610 HB2 ASN 76 HB2 ASN 76 3.841 28.626 24.999 611 HB3 ASN 76 HB3 ASN 76 5.018 28.291 23.745 612 HD21 ASN 76 HD21 ASN 76 6.095 31.599 24.121 613 HD22 ASN 76 HD22 ASN 76 6.480 29.895 24.328 614 H GLU 77 H GLU 77 4.727 27.863 21.203 615 HA GLU 77 HA GLU 77 4.345 30.185 19.486 616 HB2 GLU 77 HB2 GLU 77 6.584 29.315 19.805 617 HB3 GLU 77 HB3 GLU 77 6.109 27.730 19.147 618 HG2 GLU 77 HG2 GLU 77 5.778 28.613 16.955 619 HG3 GLU 77 HG3 GLU 77 5.753 30.280 17.538 620 H GLN 78 H GLN 78 3.217 26.794 19.476 621 HA GLN 78 HA GLN 78 2.725 26.674 16.689 622 HB2 GLN 78 HB2 GLN 78 1.195 25.182 18.823 623 HB3 GLN 78 HB3 GLN 78 1.259 24.798 17.105 624 HG2 GLN 78 HG2 GLN 78 3.346 24.417 19.233 625 HG3 GLN 78 HG3 GLN 78 2.744 23.267 18.099 626 HE21 GLN 78 HE21 GLN 78 6.111 25.318 17.233 627 HE22 GLN 78 HE22 GLN 78 5.246 25.561 18.760 628 H LEU 79 H LEU 79 0.717 28.095 19.202 629 HA LEU 79 HA LEU 79 -1.652 28.644 17.730 630 HB2 LEU 79 HB2 LEU 79 -0.238 30.322 19.821 631 HB3 LEU 79 HB3 LEU 79 -1.969 30.348 19.474 632 HG LEU 79 HG LEU 79 -0.461 28.000 20.704 633 HD11 LEU 79 HD11 LEU 79 -0.341 29.762 22.192 634 HD12 LEU 79 HD12 LEU 79 -1.992 30.319 21.883 635 HD13 LEU 79 HD13 LEU 79 -1.710 28.828 22.786 636 HD21 LEU 79 HD21 LEU 79 -2.289 26.728 20.446 637 HD22 LEU 79 HD22 LEU 79 -3.285 27.964 21.202 638 HD23 LEU 79 HD23 LEU 79 -3.004 27.990 19.454 639 H THR 80 H THR 80 1.503 30.065 17.456 640 HA THR 80 HA THR 80 0.586 32.644 16.320 641 HB THR 80 HB THR 80 3.124 31.523 17.469 642 HG1 THR 80 HG1 THR 80 1.735 32.531 18.843 643 HG21 THR 80 HG21 THR 80 4.017 32.546 15.577 644 HG22 THR 80 HG22 THR 80 2.971 33.991 15.752 645 HG23 THR 80 HG23 THR 80 4.269 33.659 16.939 646 H LEU 81 H LEU 81 2.377 29.765 15.296 647 HA LEU 81 HA LEU 81 3.772 30.026 13.075 648 HB2 LEU 81 HB2 LEU 81 1.441 28.298 13.690 649 HB3 LEU 81 HB3 LEU 81 2.043 28.244 12.045 650 HG LEU 81 HG LEU 81 4.055 27.275 12.585 651 HD11 LEU 81 HD11 LEU 81 4.955 28.678 14.338 652 HD12 LEU 81 HD12 LEU 81 3.697 28.140 15.453 653 HD13 LEU 81 HD13 LEU 81 4.938 27.005 14.912 654 HD21 LEU 81 HD21 LEU 81 3.462 25.372 14.096 655 HD22 LEU 81 HD22 LEU 81 2.071 26.282 14.687 656 HD23 LEU 81 HD23 LEU 81 2.137 25.778 13.004 657 H LEU 82 H LEU 82 0.307 29.986 12.364 658 HA LEU 82 HA LEU 82 0.907 31.157 9.737 659 HB2 LEU 82 HB2 LEU 82 -1.858 30.452 10.787 660 HB3 LEU 82 HB3 LEU 82 -1.354 30.651 9.119 661 HG LEU 82 HG LEU 82 -0.515 28.376 10.971 662 HD11 LEU 82 HD11 LEU 82 -2.861 28.262 10.186 663 HD12 LEU 82 HD12 LEU 82 -2.299 28.402 8.506 664 HD13 LEU 82 HD13 LEU 82 -1.855 26.982 9.487 665 HD21 LEU 82 HD21 LEU 82 0.195 28.943 8.068 666 HD22 LEU 82 HD22 LEU 82 1.298 28.824 9.450 667 HD23 LEU 82 HD23 LEU 82 0.453 27.381 8.884 668 H SER 83 H SER 83 0.152 32.486 12.688 669 HA SER 83 HA SER 83 -1.161 34.954 11.688 670 HB2 SER 83 HB2 SER 83 -2.207 33.773 13.579 671 HB3 SER 83 HB3 SER 83 -0.703 33.909 14.505 672 HG SER 83 HG SER 83 -0.955 36.246 14.139 673 H LYS 84 H LYS 84 1.950 33.859 12.053 674 HA LYS 84 HA LYS 84 3.374 35.594 13.640 675 HB2 LYS 84 HB2 LYS 84 4.067 34.246 11.012 676 HB3 LYS 84 HB3 LYS 84 5.245 35.292 11.804 677 HG2 LYS 84 HG2 LYS 84 5.197 33.966 13.838 678 HG3 LYS 84 HG3 LYS 84 3.960 32.898 13.155 679 HD2 LYS 84 HD2 LYS 84 5.518 32.235 11.346 680 HD3 LYS 84 HD3 LYS 84 6.773 33.293 11.995 681 HE2 LYS 84 HE2 LYS 84 5.496 31.025 13.585 682 HE3 LYS 84 HE3 LYS 84 6.900 30.777 12.545 683 HZ1 LYS 84 HZ1 LYS 84 8.164 32.316 13.875 684 HZ2 LYS 84 HZ2 LYS 84 6.898 32.695 14.824 685 HZ3 LYS 84 HZ3 LYS 84 7.549 31.199 14.883 686 H LYS 85 H LYS 85 1.985 36.704 10.582 687 HA LYS 85 HA LYS 85 3.781 39.014 10.357 688 HB2 LYS 85 HB2 LYS 85 2.522 37.772 8.479 689 HB3 LYS 85 HB3 LYS 85 1.094 38.681 8.987 690 HG2 LYS 85 HG2 LYS 85 2.271 40.805 8.511 691 HG3 LYS 85 HG3 LYS 85 3.743 39.903 8.091 692 HD2 LYS 85 HD2 LYS 85 2.526 38.794 6.229 693 HD3 LYS 85 HD3 LYS 85 1.052 39.690 6.655 694 HE2 LYS 85 HE2 LYS 85 2.251 41.838 6.255 695 HE3 LYS 85 HE3 LYS 85 3.716 40.943 5.830 696 HZ1 LYS 85 HZ1 LYS 85 2.478 41.593 3.856 697 HZ2 LYS 85 HZ2 LYS 85 2.502 39.968 3.964 698 HZ3 LYS 85 HZ3 LYS 85 1.149 40.794 4.350 699 H HIS 86 H HIS 86 1.196 38.309 12.359 700 HA HIS 86 HA HIS 86 -0.313 39.301 13.622 701 HB2 HIS 86 HB2 HIS 86 0.345 40.917 15.094 702 HB3 HIS 86 HB3 HIS 86 1.806 40.075 14.627 703 HD2 HIS 86 HD2 HIS 86 3.805 41.602 13.957 704 HE1 HIS 86 HE1 HIS 86 1.755 45.310 13.479 705 HE2 HIS 86 HE2 HIS 86 4.040 44.191 13.526 706 H GLY 87 H GLY 87 -1.885 41.116 14.076 707 HA2 GLY 87 HA2 GLY 87 -3.656 42.341 13.260 708 HA3 GLY 87 HA3 GLY 87 -2.683 42.809 11.859 709 H GLN 88 H GLN 88 -2.951 39.402 12.322 710 HA GLN 88 HA GLN 88 -4.656 39.093 9.937 711 HB2 GLN 88 HB2 GLN 88 -3.017 37.099 11.555 712 HB3 GLN 88 HB3 GLN 88 -3.940 36.722 10.096 713 HG2 GLN 88 HG2 GLN 88 -2.523 38.286 8.783 714 HG3 GLN 88 HG3 GLN 88 -1.582 38.668 10.236 715 HE21 GLN 88 HE21 GLN 88 -1.189 34.837 8.763 716 HE22 GLN 88 HE22 GLN 88 -2.656 35.726 8.365 717 H LEU 89 H LEU 89 -6.359 37.540 9.914 718 HA LEU 89 HA LEU 89 -8.196 37.657 12.162 719 HB2 LEU 89 HB2 LEU 89 -8.961 37.773 9.892 720 HB3 LEU 89 HB3 LEU 89 -8.184 36.266 9.457 721 HG LEU 89 HG LEU 89 -10.700 36.350 9.649 722 HD11 LEU 89 HD11 LEU 89 -9.483 34.104 11.273 723 HD12 LEU 89 HD12 LEU 89 -10.947 34.097 10.273 724 HD13 LEU 89 HD13 LEU 89 -9.363 34.243 9.503 725 HD21 LEU 89 HD21 LEU 89 -10.236 36.067 12.645 726 HD22 LEU 89 HD22 LEU 89 -10.883 37.505 11.821 727 HD23 LEU 89 HD23 LEU 89 -11.773 35.977 11.772 728 H LYS 90 H LYS 90 -7.655 36.640 13.960 729 HA LYS 90 HA LYS 90 -6.063 34.264 14.126 730 HB2 LYS 90 HB2 LYS 90 -6.469 36.107 15.934 731 HB3 LYS 90 HB3 LYS 90 -8.018 35.334 16.235 732 HG2 LYS 90 HG2 LYS 90 -6.530 34.540 17.909 733 HG3 LYS 90 HG3 LYS 90 -6.804 33.214 16.819 734 HD2 LYS 90 HD2 LYS 90 -4.548 33.072 17.230 735 HD3 LYS 90 HD3 LYS 90 -4.545 33.907 15.679 736 HE2 LYS 90 HE2 LYS 90 -4.395 35.395 18.330 737 HE3 LYS 90 HE3 LYS 90 -2.973 34.638 17.630 738 HZ1 LYS 90 HZ1 LYS 90 -4.534 36.712 16.143 739 HZ2 LYS 90 HZ2 LYS 90 -3.189 37.017 17.007 740 HZ3 LYS 90 HZ3 LYS 90 -3.101 36.044 15.687 741 H LEU 91 H LEU 91 -9.581 34.517 13.817 742 HA LEU 91 HA LEU 91 -10.389 32.157 14.892 743 HB2 LEU 91 HB2 LEU 91 -11.873 33.882 14.057 744 HB3 LEU 91 HB3 LEU 91 -11.458 33.455 12.394 745 HG LEU 91 HG LEU 91 -12.533 31.289 12.603 746 HD11 LEU 91 HD11 LEU 91 -13.223 32.154 15.450 747 HD12 LEU 91 HD12 LEU 91 -13.906 30.744 14.605 748 HD13 LEU 91 HD13 LEU 91 -12.186 30.780 14.982 749 HD21 LEU 91 HD21 LEU 91 -13.867 33.246 11.922 750 HD22 LEU 91 HD22 LEU 91 -14.845 32.056 12.799 751 HD23 LEU 91 HD23 LEU 91 -14.309 33.542 13.621 752 H SER 92 H SER 92 -8.467 32.395 12.107 753 HA SER 92 HA SER 92 -8.982 29.745 10.948 754 HB2 SER 92 HB2 SER 92 -8.316 31.696 9.564 755 HB3 SER 92 HB3 SER 92 -6.794 31.809 10.467 756 HG SER 92 HG SER 92 -7.669 29.770 8.704 757 H ILE 93 H ILE 93 -6.376 31.198 12.970 758 HA ILE 93 HA ILE 93 -5.180 28.503 13.333 759 HB ILE 93 HB ILE 93 -3.764 30.534 12.797 760 HG12 ILE 93 HG12 ILE 93 -2.915 29.260 15.433 761 HG13 ILE 93 HG13 ILE 93 -3.080 28.261 13.995 762 HG21 ILE 93 HG21 ILE 93 -4.852 32.143 14.262 763 HG22 ILE 93 HG22 ILE 93 -4.297 31.237 15.700 764 HG23 ILE 93 HG23 ILE 93 -3.121 32.003 14.633 765 HD11 ILE 93 HD11 ILE 93 -0.760 29.042 14.354 766 HD12 ILE 93 HD12 ILE 93 -1.451 29.521 12.801 767 HD13 ILE 93 HD13 ILE 93 -1.291 30.720 14.101 768 H GLN 94 H GLN 94 -7.496 30.451 14.812 769 HA GLN 94 HA GLN 94 -7.363 29.703 17.512 770 HB2 GLN 94 HB2 GLN 94 -8.824 31.358 16.725 771 HB3 GLN 94 HB3 GLN 94 -9.529 30.282 15.529 772 HG2 GLN 94 HG2 GLN 94 -9.991 30.024 18.492 773 HG3 GLN 94 HG3 GLN 94 -11.002 30.939 17.343 774 HE21 GLN 94 HE21 GLN 94 -11.821 27.564 15.716 775 HE22 GLN 94 HE22 GLN 94 -10.913 28.927 15.111 776 H TYR 95 H TYR 95 -8.350 27.780 14.713 777 HA TYR 95 HA TYR 95 -9.204 25.460 16.108 778 HB2 TYR 95 HB2 TYR 95 -7.970 25.863 13.363 779 HB3 TYR 95 HB3 TYR 95 -8.556 24.301 13.944 780 HD1 TYR 95 HD1 TYR 95 -9.522 27.570 12.610 781 HD2 TYR 95 HD2 TYR 95 -10.985 24.019 14.576 782 HE1 TYR 95 HE1 TYR 95 -11.847 28.196 12.007 783 HE2 TYR 95 HE2 TYR 95 -13.314 24.638 13.947 784 HH TYR 95 HH TYR 95 -14.648 26.151 12.887 785 H MET 96 H MET 96 -5.985 26.773 15.927 786 HA MET 96 HA MET 96 -4.747 24.309 17.016 787 HB2 MET 96 HB2 MET 96 -3.398 25.686 15.454 788 HB3 MET 96 HB3 MET 96 -3.563 27.075 16.550 789 HG2 MET 96 HG2 MET 96 -1.405 25.953 16.757 790 HG3 MET 96 HG3 MET 96 -2.320 26.033 18.256 791 HE1 MET 96 HE1 MET 96 -0.708 24.339 19.350 792 HE2 MET 96 HE2 MET 96 -2.403 24.190 19.821 793 HE3 MET 96 HE3 MET 96 -1.454 22.728 19.524 794 H ILE 97 H ILE 97 -5.989 27.502 18.089 795 HA ILE 97 HA ILE 97 -5.242 27.192 20.840 796 HB ILE 97 HB ILE 97 -6.930 29.046 19.470 797 HG12 ILE 97 HG12 ILE 97 -6.849 30.140 21.849 798 HG13 ILE 97 HG13 ILE 97 -5.845 28.763 22.285 799 HG21 ILE 97 HG21 ILE 97 -8.358 27.892 21.905 800 HG22 ILE 97 HG22 ILE 97 -8.818 29.347 20.998 801 HG23 ILE 97 HG23 ILE 97 -8.946 27.774 20.229 802 HD11 ILE 97 HD11 ILE 97 -4.572 29.602 19.999 803 HD12 ILE 97 HD12 ILE 97 -5.270 31.133 20.557 804 HD13 ILE 97 HD13 ILE 97 -4.189 30.179 21.634 805 H GLN 98 H GLN 98 -7.968 25.765 19.041 806 HA GLN 98 HA GLN 98 -9.099 24.361 21.215 807 HB2 GLN 98 HB2 GLN 98 -9.015 23.594 18.275 808 HB3 GLN 98 HB3 GLN 98 -10.075 22.873 19.488 809 HG2 GLN 98 HG2 GLN 98 -11.104 25.104 19.910 810 HG3 GLN 98 HG3 GLN 98 -10.102 25.803 18.647 811 HE21 GLN 98 HE21 GLN 98 -13.140 25.235 16.799 812 HE22 GLN 98 HE22 GLN 98 -12.295 26.432 17.795 813 H LYS 99 H LYS 99 -6.016 23.753 19.806 814 HA LYS 99 HA LYS 99 -5.818 21.015 20.943 815 HB2 LYS 99 HB2 LYS 99 -4.100 22.583 18.982 816 HB3 LYS 99 HB3 LYS 99 -3.631 21.023 19.615 817 HG2 LYS 99 HG2 LYS 99 -6.213 21.566 18.049 818 HG3 LYS 99 HG3 LYS 99 -4.717 21.018 17.315 819 HD2 LYS 99 HD2 LYS 99 -4.779 18.917 18.448 820 HD3 LYS 99 HD3 LYS 99 -6.091 19.424 19.529 821 HE2 LYS 99 HE2 LYS 99 -7.693 19.500 17.739 822 HE3 LYS 99 HE3 LYS 99 -6.447 19.313 16.507 823 HZ1 LYS 99 HZ1 LYS 99 -7.149 17.227 18.508 824 HZ2 LYS 99 HZ2 LYS 99 -7.617 17.217 16.958 825 HZ3 LYS 99 HZ3 LYS 99 -6.030 17.058 17.323 826 H VAL 100 H VAL 100 -4.353 24.345 21.242 827 HA VAL 100 HA VAL 100 -2.770 23.561 23.489 828 HB VAL 100 HB VAL 100 -3.685 25.956 22.108 829 HG11 VAL 100 HG11 VAL 100 -3.378 26.566 25.040 830 HG12 VAL 100 HG12 VAL 100 -3.545 27.711 23.673 831 HG13 VAL 100 HG13 VAL 100 -4.886 26.670 24.086 832 HG21 VAL 100 HG21 VAL 100 -1.384 25.176 22.108 833 HG22 VAL 100 HG22 VAL 100 -1.389 26.753 22.879 834 HG23 VAL 100 HG23 VAL 100 -1.285 25.316 23.878 835 H MET 101 H MET 101 -6.063 24.749 23.310 836 HA MET 101 HA MET 101 -6.894 24.360 25.979 837 HB2 MET 101 HB2 MET 101 -8.332 24.180 23.324 838 HB3 MET 101 HB3 MET 101 -9.188 24.136 24.856 839 HG2 MET 101 HG2 MET 101 -7.359 26.452 24.190 840 HG3 MET 101 HG3 MET 101 -8.973 26.362 23.515 841 HE1 MET 101 HE1 MET 101 -11.160 26.825 24.691 842 HE2 MET 101 HE2 MET 101 -10.961 25.350 25.667 843 HE3 MET 101 HE3 MET 101 -11.380 26.882 26.453 844 H GLU 102 H GLU 102 -5.714 21.964 23.964 845 HA GLU 102 HA GLU 102 -7.452 19.896 25.091 846 HB2 GLU 102 HB2 GLU 102 -7.067 19.852 22.598 847 HB3 GLU 102 HB3 GLU 102 -5.388 19.450 22.934 848 HG2 GLU 102 HG2 GLU 102 -6.315 17.394 22.506 849 HG3 GLU 102 HG3 GLU 102 -6.285 17.432 24.263 850 H TYR 103 H TYR 103 -4.015 19.149 24.450 851 HA TYR 103 HA TYR 103 -4.173 17.912 27.110 852 HB2 TYR 103 HB2 TYR 103 -1.859 17.711 25.181 853 HB3 TYR 103 HB3 TYR 103 -2.154 16.720 26.582 854 HD1 TYR 103 HD1 TYR 103 -4.946 15.876 26.410 855 HD2 TYR 103 HD2 TYR 103 -1.995 16.316 23.290 856 HE1 TYR 103 HE1 TYR 103 -6.169 14.226 25.018 857 HE2 TYR 103 HE2 TYR 103 -3.240 14.678 21.895 858 HH TYR 103 HH TYR 103 -5.007 13.246 21.783 859 H LEU 104 H LEU 104 -2.438 20.490 25.566 860 HA LEU 104 HA LEU 104 -0.509 21.106 27.550 861 HB2 LEU 104 HB2 LEU 104 -0.411 21.770 25.252 862 HB3 LEU 104 HB3 LEU 104 -1.918 22.619 25.319 863 HG LEU 104 HG LEU 104 0.096 24.003 25.114 864 HD11 LEU 104 HD11 LEU 104 -2.125 24.803 26.170 865 HD12 LEU 104 HD12 LEU 104 -1.315 24.673 27.741 866 HD13 LEU 104 HD13 LEU 104 -0.688 25.771 26.517 867 HD21 LEU 104 HD21 LEU 104 0.692 23.262 27.997 868 HD22 LEU 104 HD22 LEU 104 1.588 22.748 26.552 869 HD23 LEU 104 HD23 LEU 104 1.541 24.464 27.000 870 H LYS 105 H LYS 105 -3.952 22.027 27.259 871 HA LYS 105 HA LYS 105 -3.975 23.317 29.880 872 HB2 LYS 105 HB2 LYS 105 -6.087 22.735 27.798 873 HB3 LYS 105 HB3 LYS 105 -6.495 23.235 29.448 874 HG2 LYS 105 HG2 LYS 105 -4.677 25.147 29.032 875 HG3 LYS 105 HG3 LYS 105 -5.037 24.827 27.330 876 HD2 LYS 105 HD2 LYS 105 -7.436 25.247 27.778 877 HD3 LYS 105 HD3 LYS 105 -7.071 25.458 29.506 878 HE2 LYS 105 HE2 LYS 105 -5.564 27.375 28.958 879 HE3 LYS 105 HE3 LYS 105 -5.990 27.211 27.245 880 HZ1 LYS 105 HZ1 LYS 105 -7.324 28.917 28.356 881 HZ2 LYS 105 HZ2 LYS 105 -8.289 27.721 27.833 882 HZ3 LYS 105 HZ3 LYS 105 -7.923 27.839 29.420 883 H SER 106 H SER 106 -5.681 20.493 28.625 884 HA SER 106 HA SER 106 -6.794 19.700 31.057 885 HB2 SER 106 HB2 SER 106 -6.324 17.830 28.722 886 HB3 SER 106 HB3 SER 106 -7.585 17.730 29.960 887 HG SER 106 HG SER 106 -7.253 19.554 27.848 888 H SER 107 H SER 107 -3.498 19.179 30.359 889 HA SER 107 HA SER 107 -2.876 16.788 31.697 890 HB2 SER 107 HB2 SER 107 -1.192 18.233 30.625 891 HB3 SER 107 HB3 SER 107 -1.511 19.519 31.805 892 HG SER 107 HG SER 107 -0.228 17.044 32.185 893 H LYS 108 H LYS 108 -3.970 19.846 33.067 894 HA LYS 108 HA LYS 108 -4.234 20.700 35.180 895 HB2 LYS 108 HB2 LYS 108 -5.102 17.840 35.728 896 HB3 LYS 108 HB3 LYS 108 -5.402 19.206 36.803 897 HG2 LYS 108 HG2 LYS 108 -6.673 20.370 35.046 898 HG3 LYS 108 HG3 LYS 108 -6.430 19.020 33.938 899 HD2 LYS 108 HD2 LYS 108 -7.894 18.850 36.609 900 HD3 LYS 108 HD3 LYS 108 -8.663 19.021 35.029 901 HE2 LYS 108 HE2 LYS 108 -7.622 16.866 34.292 902 HE3 LYS 108 HE3 LYS 108 -6.921 16.673 35.907 903 HZ1 LYS 108 HZ1 LYS 108 -9.179 16.619 36.808 904 HZ2 LYS 108 HZ2 LYS 108 -9.821 16.794 35.317 905 HZ3 LYS 108 HZ3 LYS 108 -8.986 15.447 35.696 906 H SER 109 H SER 109 -1.569 19.182 34.598 907 HA SER 109 HA SER 109 -0.468 19.317 37.314 908 HB2 SER 109 HB2 SER 109 0.228 17.129 35.321 909 HB3 SER 109 HB3 SER 109 0.617 17.179 37.045 910 HG SER 109 HG SER 109 -1.905 16.789 35.791 911 H LEU 110 H LEU 110 -0.299 21.003 34.868 912 HA LEU 110 HA LEU 110 2.503 20.957 34.111 913 HB2 LEU 110 HB2 LEU 110 0.570 21.523 32.541 914 HB3 LEU 110 HB3 LEU 110 0.392 23.047 33.416 915 HG LEU 110 HG LEU 110 2.652 23.747 32.714 916 HD11 LEU 110 HD11 LEU 110 3.937 21.736 32.561 917 HD12 LEU 110 HD12 LEU 110 2.761 20.973 31.455 918 HD13 LEU 110 HD13 LEU 110 3.780 22.300 30.904 919 HD21 LEU 110 HD21 LEU 110 2.218 23.952 30.303 920 HD22 LEU 110 HD22 LEU 110 1.029 22.636 30.387 921 HD23 LEU 110 HD23 LEU 110 0.721 24.178 31.215 922 H ASP 111 H ASP 111 4.072 22.354 34.838 923 HA ASP 111 HA ASP 111 3.724 23.738 37.316 924 HB2 ASP 111 HB2 ASP 111 5.978 23.962 35.292 925 HB3 ASP 111 HB3 ASP 111 5.976 24.640 36.924 926 H LEU 112 H LEU 112 3.450 25.809 37.794 927 HA LEU 112 HA LEU 112 1.947 27.510 36.114 928 HB2 LEU 112 HB2 LEU 112 3.582 28.049 38.631 929 HB3 LEU 112 HB3 LEU 112 2.814 29.356 37.749 930 HG LEU 112 HG LEU 112 0.588 28.275 38.028 931 HD11 LEU 112 HD11 LEU 112 2.085 26.345 39.860 932 HD12 LEU 112 HD12 LEU 112 0.319 26.533 39.786 933 HD13 LEU 112 HD13 LEU 112 1.178 25.926 38.376 934 HD21 LEU 112 HD21 LEU 112 0.357 28.855 40.410 935 HD22 LEU 112 HD22 LEU 112 2.124 28.791 40.609 936 HD23 LEU 112 HD23 LEU 112 1.380 30.027 39.567 937 H ASN 113 H ASN 113 5.415 27.759 36.892 938 HA ASN 113 HA ASN 113 5.869 30.076 35.408 939 HB2 ASN 113 HB2 ASN 113 7.838 27.781 35.863 940 HB3 ASN 113 HB3 ASN 113 8.259 29.479 35.624 941 HD21 ASN 113 HD21 ASN 113 7.504 30.366 39.015 942 HD22 ASN 113 HD22 ASN 113 7.762 31.006 37.396 943 H THR 114 H THR 114 5.597 26.773 34.272 944 HA THR 114 HA THR 114 6.610 27.273 31.548 945 HB THR 114 HB THR 114 5.418 24.948 33.071 946 HG1 THR 114 HG1 THR 114 7.642 25.388 33.141 947 HG21 THR 114 HG21 THR 114 4.315 24.745 30.959 948 HG22 THR 114 HG22 THR 114 5.831 25.040 30.072 949 HG23 THR 114 HG23 THR 114 5.633 23.562 31.059 950 H ARG 115 H ARG 115 3.404 26.585 33.058 951 HA ARG 115 HA ARG 115 1.806 27.018 30.753 952 HB2 ARG 115 HB2 ARG 115 0.978 25.939 32.741 953 HB3 ARG 115 HB3 ARG 115 1.276 27.360 33.741 954 HG2 ARG 115 HG2 ARG 115 -0.525 28.588 32.852 955 HG3 ARG 115 HG3 ARG 115 -0.611 27.616 31.368 956 HD2 ARG 115 HD2 ARG 115 -1.066 26.390 34.084 957 HD3 ARG 115 HD3 ARG 115 -2.381 27.220 33.211 958 HE ARG 115 HE ARG 115 -1.341 25.479 31.318 959 HH11 ARG 115 HH11 ARG 115 -2.952 25.130 34.406 960 HH12 ARG 115 HH12 ARG 115 -3.478 23.506 34.062 961 HH21 ARG 115 HH21 ARG 115 -1.935 23.287 31.004 962 HH22 ARG 115 HH22 ARG 115 -3.051 22.592 32.138 963 H ILE 116 H ILE 116 2.822 29.366 33.165 964 HA ILE 116 HA ILE 116 1.507 31.658 32.406 965 HB ILE 116 HB ILE 116 4.184 31.022 33.526 966 HG12 ILE 116 HG12 ILE 116 1.901 32.873 34.417 967 HG13 ILE 116 HG13 ILE 116 1.923 31.152 34.744 968 HG21 ILE 116 HG21 ILE 116 3.561 33.858 32.667 969 HG22 ILE 116 HG22 ILE 116 4.868 33.373 33.775 970 HG23 ILE 116 HG23 ILE 116 4.891 32.799 32.110 971 HD11 ILE 116 HD11 ILE 116 2.663 32.310 36.721 972 HD12 ILE 116 HD12 ILE 116 4.041 31.418 36.051 973 HD13 ILE 116 HD13 ILE 116 3.914 33.184 35.834 974 H SER 117 H SER 117 4.172 30.190 30.714 975 HA SER 117 HA SER 117 4.833 32.410 29.021 976 HB2 SER 117 HB2 SER 117 6.257 30.948 27.799 977 HB3 SER 117 HB3 SER 117 6.381 30.497 29.505 978 HG SER 117 HG SER 117 5.053 28.718 29.104 979 H VAL 118 H VAL 118 2.412 29.923 28.804 980 HA VAL 118 HA VAL 118 1.680 30.651 26.027 981 HB VAL 118 HB VAL 118 2.108 28.385 26.343 982 HG11 VAL 118 HG11 VAL 118 0.885 26.829 27.748 983 HG12 VAL 118 HG12 VAL 118 1.823 27.994 28.669 984 HG13 VAL 118 HG13 VAL 118 0.045 28.168 28.546 985 HG21 VAL 118 HG21 VAL 118 0.118 27.476 25.333 986 HG22 VAL 118 HG22 VAL 118 -0.935 28.642 26.175 987 HG23 VAL 118 HG23 VAL 118 0.150 29.180 24.887 988 H ILE 119 H ILE 119 0.142 30.351 29.325 989 HA ILE 119 HA ILE 119 -2.350 31.262 28.504 990 HB ILE 119 HB ILE 119 -1.368 30.230 30.745 991 HG12 ILE 119 HG12 ILE 119 -3.242 31.096 32.110 992 HG13 ILE 119 HG13 ILE 119 -3.611 32.285 30.847 993 HG21 ILE 119 HG21 ILE 119 0.096 32.220 31.074 994 HG22 ILE 119 HG22 ILE 119 -1.320 33.100 31.656 995 HG23 ILE 119 HG23 ILE 119 -0.769 31.617 32.501 996 HD11 ILE 119 HD11 ILE 119 -3.504 29.274 30.361 997 HD12 ILE 119 HD12 ILE 119 -4.997 30.145 30.815 998 HD13 ILE 119 HD13 ILE 119 -4.182 30.514 29.284 999 H GLU 120 H GLU 120 0.501 33.257 29.329 1000 HA GLU 120 HA GLU 120 -0.916 35.754 28.967 1001 HB2 GLU 120 HB2 GLU 120 2.017 34.999 29.199 1002 HB3 GLU 120 HB3 GLU 120 1.470 36.658 28.855 1003 HG2 GLU 120 HG2 GLU 120 0.006 36.578 30.875 1004 HG3 GLU 120 HG3 GLU 120 0.674 34.998 31.288 1005 H THR 121 H THR 121 1.009 33.658 26.840 1006 HA THR 121 HA THR 121 1.280 35.298 24.583 1007 HB THR 121 HB THR 121 1.770 32.653 25.179 1008 HG1 THR 121 HG1 THR 121 2.861 32.673 23.403 1009 HG21 THR 121 HG21 THR 121 0.986 31.245 23.413 1010 HG22 THR 121 HG22 THR 121 -0.448 31.815 24.255 1011 HG23 THR 121 HG23 THR 121 -0.002 32.536 22.703 1012 H ILE 122 H ILE 122 -1.497 33.221 25.418 1013 HA ILE 122 HA ILE 122 -3.010 34.088 23.108 1014 HB ILE 122 HB ILE 122 -2.997 31.848 23.994 1015 HG12 ILE 122 HG12 ILE 122 -4.927 32.759 22.632 1016 HG13 ILE 122 HG13 ILE 122 -5.073 31.221 23.483 1017 HG21 ILE 122 HG21 ILE 122 -2.814 32.087 26.283 1018 HG22 ILE 122 HG22 ILE 122 -4.395 32.896 26.450 1019 HG23 ILE 122 HG23 ILE 122 -4.287 31.180 25.972 1020 HD11 ILE 122 HD11 ILE 122 -7.159 32.512 23.591 1021 HD12 ILE 122 HD12 ILE 122 -6.501 32.173 25.196 1022 HD13 ILE 122 HD13 ILE 122 -6.341 33.795 24.492 1023 H ARG 123 H ARG 123 -2.762 35.229 26.380 1024 HA ARG 123 HA ARG 123 -5.065 37.016 26.326 1025 HB2 ARG 123 HB2 ARG 123 -3.849 36.090 28.360 1026 HB3 ARG 123 HB3 ARG 123 -2.510 37.180 28.000 1027 HG2 ARG 123 HG2 ARG 123 -3.962 39.129 28.339 1028 HG3 ARG 123 HG3 ARG 123 -5.378 38.074 28.528 1029 HD2 ARG 123 HD2 ARG 123 -4.348 37.034 30.525 1030 HD3 ARG 123 HD3 ARG 123 -2.914 38.064 30.328 1031 HE ARG 123 HE ARG 123 -5.220 39.740 30.474 1032 HH11 ARG 123 HH11 ARG 123 -3.402 37.678 32.665 1033 HH12 ARG 123 HH12 ARG 123 -3.868 38.630 34.050 1034 HH21 ARG 123 HH21 ARG 123 -5.753 40.876 32.282 1035 HH22 ARG 123 HH22 ARG 123 -5.160 40.362 33.844 1036 H VAL 124 H VAL 124 -1.739 37.250 25.221 1037 HA VAL 124 HA VAL 124 -1.888 40.113 24.636 1038 HB VAL 124 HB VAL 124 0.309 38.035 24.470 1039 HG11 VAL 124 HG11 VAL 124 0.863 39.685 22.772 1040 HG12 VAL 124 HG12 VAL 124 0.526 41.019 23.908 1041 HG13 VAL 124 HG13 VAL 124 1.899 39.918 24.179 1042 HG21 VAL 124 HG21 VAL 124 -0.409 38.799 26.773 1043 HG22 VAL 124 HG22 VAL 124 1.265 39.155 26.377 1044 HG23 VAL 124 HG23 VAL 124 0.043 40.452 26.312 1045 H VAL 125 H VAL 125 -1.437 37.133 22.692 1046 HA VAL 125 HA VAL 125 -0.789 38.554 20.313 1047 HB VAL 125 HB VAL 125 -0.045 36.264 21.080 1048 HG11 VAL 125 HG11 VAL 125 -2.549 35.290 19.648 1049 HG12 VAL 125 HG12 VAL 125 -1.280 34.316 20.412 1050 HG13 VAL 125 HG13 VAL 125 -2.356 35.318 21.398 1051 HG21 VAL 125 HG21 VAL 125 0.406 35.447 18.876 1052 HG22 VAL 125 HG22 VAL 125 -0.872 36.448 18.166 1053 HG23 VAL 125 HG23 VAL 125 0.561 37.206 18.889 1054 H THR 126 H THR 126 -3.825 38.274 21.585 1055 HA THR 126 HA THR 126 -5.158 38.727 18.918 1056 HB THR 126 HB THR 126 -7.279 38.513 20.253 1057 HG1 THR 126 HG1 THR 126 -6.455 39.140 22.310 1058 HG21 THR 126 HG21 THR 126 -7.199 36.116 20.732 1059 HG22 THR 126 HG22 THR 126 -6.365 36.478 19.214 1060 HG23 THR 126 HG23 THR 126 -5.425 36.128 20.691 1061 H GLU 127 H GLU 127 -3.751 40.601 21.343 1062 HA GLU 127 HA GLU 127 -5.787 42.712 21.200 1063 HB2 GLU 127 HB2 GLU 127 -3.052 42.826 22.516 1064 HB3 GLU 127 HB3 GLU 127 -4.431 43.896 22.780 1065 HG2 GLU 127 HG2 GLU 127 -4.123 40.999 23.610 1066 HG3 GLU 127 HG3 GLU 127 -4.361 42.402 24.637 1067 H ASN 128 H ASN 128 -4.214 41.746 18.826 1068 HA ASN 128 HA ASN 128 -3.505 44.396 17.763 1069 HB2 ASN 128 HB2 ASN 128 -1.844 43.320 16.301 1070 HB3 ASN 128 HB3 ASN 128 -1.507 43.086 18.020 1071 HD21 ASN 128 HD21 ASN 128 -1.804 39.580 17.902 1072 HD22 ASN 128 HD22 ASN 128 -1.438 41.010 18.863 1073 H LYS 129 H LYS 129 -6.001 42.396 17.680 1074 HA LYS 129 HA LYS 129 -6.760 43.246 14.925 1075 HB2 LYS 129 HB2 LYS 129 -6.332 40.719 15.259 1076 HB3 LYS 129 HB3 LYS 129 -7.796 40.713 16.236 1077 HG2 LYS 129 HG2 LYS 129 -8.322 39.983 14.002 1078 HG3 LYS 129 HG3 LYS 129 -9.073 41.565 14.232 1079 HD2 LYS 129 HD2 LYS 129 -7.330 42.654 12.919 1080 HD3 LYS 129 HD3 LYS 129 -6.404 41.139 12.836 1081 HE2 LYS 129 HE2 LYS 129 -8.166 40.098 11.465 1082 HE3 LYS 129 HE3 LYS 129 -9.209 41.503 11.688 1083 HZ1 LYS 129 HZ1 LYS 129 -7.684 42.852 10.446 1084 HZ2 LYS 129 HZ2 LYS 129 -6.567 41.666 10.329 1085 HZ3 LYS 129 HZ3 LYS 129 -8.006 41.536 9.539 1086 H ILE 130 H ILE 130 -7.022 44.917 16.964 1087 HA ILE 130 HA ILE 130 -9.692 44.870 18.105 1088 HB ILE 130 HB ILE 130 -9.065 46.749 19.360 1089 HG12 ILE 130 HG12 ILE 130 -6.685 47.190 17.513 1090 HG13 ILE 130 HG13 ILE 130 -8.094 48.238 17.713 1091 HG21 ILE 130 HG21 ILE 130 -7.908 44.518 19.848 1092 HG22 ILE 130 HG22 ILE 130 -6.449 45.240 19.102 1093 HG23 ILE 130 HG23 ILE 130 -7.166 45.962 20.545 1094 HD11 ILE 130 HD11 ILE 130 -7.460 48.643 20.090 1095 HD12 ILE 130 HD12 ILE 130 -5.936 47.776 19.778 1096 HD13 ILE 130 HD13 ILE 130 -6.306 49.259 18.886 1097 H PHE 131 H PHE 131 -10.539 47.531 17.935 1098 HA PHE 131 HA PHE 131 -11.649 47.813 15.300 1099 HB2 PHE 131 HB2 PHE 131 -12.682 49.825 16.210 1100 HB3 PHE 131 HB3 PHE 131 -12.885 48.460 17.279 1101 HD1 PHE 131 HD1 PHE 131 -11.781 48.386 19.500 1102 HD2 PHE 131 HD2 PHE 131 -11.289 51.764 16.856 1103 HE1 PHE 131 HE1 PHE 131 -10.825 49.716 21.364 1104 HE2 PHE 131 HE2 PHE 131 -10.349 53.090 18.725 1105 HZ PHE 131 HZ PHE 131 -10.106 52.066 20.982 1106 H VAL 132 H VAL 132 -8.622 48.063 15.831 1107 HA VAL 132 HA VAL 132 -7.962 50.274 14.040 1108 HB VAL 132 HB VAL 132 -6.359 49.745 16.549 1109 HG11 VAL 132 HG11 VAL 132 -5.396 52.006 16.093 1110 HG12 VAL 132 HG12 VAL 132 -5.072 50.864 14.797 1111 HG13 VAL 132 HG13 VAL 132 -6.350 52.085 14.596 1112 HG21 VAL 132 HG21 VAL 132 -8.476 50.629 17.382 1113 HG22 VAL 132 HG22 VAL 132 -7.245 51.880 17.499 1114 HG23 VAL 132 HG23 VAL 132 -8.435 51.945 16.179 1115 H GLU 133 H GLU 133 -5.968 49.870 12.936 1116 HA GLU 133 HA GLU 133 -4.683 47.277 13.136 1117 HB2 GLU 133 HB2 GLU 133 -6.140 48.180 10.622 1118 HB3 GLU 133 HB3 GLU 133 -5.078 46.770 10.730 1119 HG2 GLU 133 HG2 GLU 133 -6.608 45.764 12.424 1120 HG3 GLU 133 HG3 GLU 133 -7.706 47.137 12.219 1121 H VAL 134 H VAL 134 -2.745 47.104 11.850 1122 HA VAL 134 HA VAL 134 -1.273 49.564 11.677 1123 HB VAL 134 HB VAL 134 -0.423 47.465 12.632 1124 HG11 VAL 134 HG11 VAL 134 0.469 45.698 11.261 1125 HG12 VAL 134 HG12 VAL 134 -1.244 45.910 10.844 1126 HG13 VAL 134 HG13 VAL 134 0.018 46.527 9.767 1127 HG21 VAL 134 HG21 VAL 134 1.299 48.701 10.451 1128 HG22 VAL 134 HG22 VAL 134 1.059 49.313 12.088 1129 HG23 VAL 134 HG23 VAL 134 1.872 47.753 11.846 1130 H GLU 135 H GLU 135 -3.266 49.779 9.876 1131 HA GLU 135 HA GLU 135 -3.849 50.190 7.763 1132 HB2 GLU 135 HB2 GLU 135 -2.506 51.903 6.712 1133 HB3 GLU 135 HB3 GLU 135 -2.546 52.124 8.455 1134 HG2 GLU 135 HG2 GLU 135 -0.266 51.324 8.704 1135 HG3 GLU 135 HG3 GLU 135 -0.223 50.760 7.030 1136 H ARG 136 H ARG 136 -2.840 47.551 7.852 1137 HA ARG 136 HA ARG 136 -2.360 47.010 4.961 1138 HB2 ARG 136 HB2 ARG 136 -0.647 45.993 7.267 1139 HB3 ARG 136 HB3 ARG 136 -0.650 45.283 5.645 1140 HG2 ARG 136 HG2 ARG 136 0.110 47.429 4.678 1141 HG3 ARG 136 HG3 ARG 136 0.136 48.157 6.296 1142 HD2 ARG 136 HD2 ARG 136 1.795 46.495 7.043 1143 HD3 ARG 136 HD3 ARG 136 1.801 45.764 5.422 1144 HE ARG 136 HE ARG 136 2.373 48.481 5.038 1145 HH11 ARG 136 HH11 ARG 136 3.974 45.846 6.712 1146 HH12 ARG 136 HH12 ARG 136 5.548 46.566 6.484 1147 HH21 ARG 136 HH21 ARG 136 5.771 48.455 5.441 1148 HH22 ARG 136 HH22 ARG 136 4.390 49.315 4.808 Start of MODEL 16 1 H1 MET 1 H1 MET 1 28.419 11.066 -7.543 2 H2 MET 1 H2 MET 1 28.477 10.288 -8.973 3 H3 MET 1 H3 MET 1 28.512 11.935 -8.926 4 HA MET 1 HA MET 1 26.295 12.003 -8.014 5 HB2 MET 1 HB2 MET 1 25.039 11.450 -9.992 6 HB3 MET 1 HB3 MET 1 26.568 12.181 -10.462 7 HG2 MET 1 HG2 MET 1 27.466 9.948 -11.060 8 HG3 MET 1 HG3 MET 1 25.989 9.187 -10.468 9 HE1 MET 1 HE1 MET 1 26.442 12.462 -12.791 10 HE2 MET 1 HE2 MET 1 27.677 11.286 -13.308 11 HE3 MET 1 HE3 MET 1 26.310 11.671 -14.375 12 H SER 2 H SER 2 24.224 10.793 -7.704 13 HA SER 2 HA SER 2 24.619 8.389 -6.130 14 HB2 SER 2 HB2 SER 2 22.151 8.494 -5.884 15 HB3 SER 2 HB3 SER 2 22.960 10.010 -5.476 16 HG SER 2 HG SER 2 21.105 10.311 -6.798 17 H ARG 3 H ARG 3 23.494 6.375 -6.465 18 HA ARG 3 HA ARG 3 23.890 5.232 -9.083 19 HB2 ARG 3 HB2 ARG 3 23.071 3.159 -8.110 20 HB3 ARG 3 HB3 ARG 3 24.237 3.935 -7.039 21 HG2 ARG 3 HG2 ARG 3 22.395 4.726 -5.573 22 HG3 ARG 3 HG3 ARG 3 21.204 4.060 -6.694 23 HD2 ARG 3 HD2 ARG 3 21.429 2.535 -4.859 24 HD3 ARG 3 HD3 ARG 3 22.098 1.783 -6.310 25 HE ARG 3 HE ARG 3 24.124 3.151 -4.709 26 HH11 ARG 3 HH11 ARG 3 22.389 0.104 -4.893 27 HH12 ARG 3 HH12 ARG 3 23.642 -0.746 -4.023 28 HH21 ARG 3 HH21 ARG 3 25.663 1.997 -3.629 29 HH22 ARG 3 HH22 ARG 3 25.426 0.296 -3.336 30 H ASP 4 H ASP 4 22.338 4.025 -10.327 31 HA ASP 4 HA ASP 4 20.016 5.640 -11.030 32 HB2 ASP 4 HB2 ASP 4 19.850 4.219 -12.965 33 HB3 ASP 4 HB3 ASP 4 21.510 4.733 -12.735 34 H ALA 5 H ALA 5 19.728 4.443 -8.428 35 HA ALA 5 HA ALA 5 17.620 2.424 -8.617 36 HB1 ALA 5 HB1 ALA 5 19.000 2.607 -6.591 37 HB2 ALA 5 HB2 ALA 5 18.467 4.290 -6.353 38 HB3 ALA 5 HB3 ALA 5 17.305 2.953 -6.213 39 HA PRO 6 HA PRO 6 14.565 5.309 -9.900 40 HB2 PRO 6 HB2 PRO 6 12.191 4.159 -9.147 41 HB3 PRO 6 HB3 PRO 6 13.253 3.454 -10.406 42 HG2 PRO 6 HG2 PRO 6 13.096 2.703 -7.472 43 HG3 PRO 6 HG3 PRO 6 13.083 1.612 -8.893 44 HD2 PRO 6 HD2 PRO 6 15.357 2.173 -7.452 45 HD3 PRO 6 HD3 PRO 6 15.407 1.876 -9.220 46 H ILE 7 H ILE 7 13.238 7.035 -9.188 47 HA ILE 7 HA ILE 7 13.883 7.833 -6.491 48 HB ILE 7 HB ILE 7 12.504 9.607 -8.532 49 HG12 ILE 7 HG12 ILE 7 15.068 10.464 -8.646 50 HG13 ILE 7 HG13 ILE 7 15.399 8.760 -8.367 51 HG21 ILE 7 HG21 ILE 7 13.530 11.396 -7.174 52 HG22 ILE 7 HG22 ILE 7 12.531 10.371 -6.145 53 HG23 ILE 7 HG23 ILE 7 14.293 10.180 -6.123 54 HD11 ILE 7 HD11 ILE 7 14.045 8.218 -10.422 55 HD12 ILE 7 HD12 ILE 7 13.714 9.952 -10.629 56 HD13 ILE 7 HD13 ILE 7 15.372 9.339 -10.767 57 H LYS 8 H LYS 8 12.478 6.063 -5.834 58 HA LYS 8 HA LYS 8 9.625 6.674 -5.324 59 HB2 LYS 8 HB2 LYS 8 9.870 4.670 -3.786 60 HB3 LYS 8 HB3 LYS 8 10.088 4.372 -5.497 61 HG2 LYS 8 HG2 LYS 8 12.240 3.735 -5.320 62 HG3 LYS 8 HG3 LYS 8 12.672 4.943 -4.137 63 HD2 LYS 8 HD2 LYS 8 11.136 2.407 -3.470 64 HD3 LYS 8 HD3 LYS 8 12.887 2.632 -3.283 65 HE2 LYS 8 HE2 LYS 8 12.505 4.513 -1.730 66 HE3 LYS 8 HE3 LYS 8 10.757 4.295 -1.874 67 HZ1 LYS 8 HZ1 LYS 8 11.512 3.155 0.093 68 HZ2 LYS 8 HZ2 LYS 8 11.053 2.021 -0.976 69 HZ3 LYS 8 HZ3 LYS 8 12.638 2.302 -0.733 70 H ALA 9 H ALA 9 9.246 8.407 -4.044 71 HA ALA 9 HA ALA 9 11.242 9.351 -2.282 72 HB1 ALA 9 HB1 ALA 9 9.711 10.815 -3.584 73 HB2 ALA 9 HB2 ALA 9 8.351 10.284 -2.558 74 HB3 ALA 9 HB3 ALA 9 9.686 11.228 -1.862 75 H ASP 10 H ASP 10 9.596 6.954 -1.619 76 HA ASP 10 HA ASP 10 9.246 5.492 0.125 77 HB2 ASP 10 HB2 ASP 10 11.683 6.256 0.171 78 HB3 ASP 10 HB3 ASP 10 11.188 7.315 1.520 79 H LYS 11 H LYS 11 8.419 8.484 0.553 80 HA LYS 11 HA LYS 11 6.937 9.752 1.662 81 HB2 LYS 11 HB2 LYS 11 6.040 7.229 3.027 82 HB3 LYS 11 HB3 LYS 11 5.486 8.806 3.577 83 HG2 LYS 11 HG2 LYS 11 4.389 9.322 1.520 84 HG3 LYS 11 HG3 LYS 11 5.187 7.963 0.675 85 HD2 LYS 11 HD2 LYS 11 3.868 6.385 2.074 86 HD3 LYS 11 HD3 LYS 11 3.227 7.758 2.989 87 HE2 LYS 11 HE2 LYS 11 1.514 7.173 1.434 88 HE3 LYS 11 HE3 LYS 11 2.247 8.679 0.853 89 HZ1 LYS 11 HZ1 LYS 11 2.849 5.952 -0.188 90 HZ2 LYS 11 HZ2 LYS 11 1.923 7.048 -0.933 91 HZ3 LYS 11 HZ3 LYS 11 3.515 7.330 -0.759 92 H ASP 12 H ASP 12 9.286 10.296 2.057 93 HA ASP 12 HA ASP 12 10.131 10.474 4.850 94 HB2 ASP 12 HB2 ASP 12 10.989 11.990 2.356 95 HB3 ASP 12 HB3 ASP 12 11.713 12.193 3.949 96 H TYR 13 H TYR 13 10.070 12.219 6.234 97 HA TYR 13 HA TYR 13 9.014 13.789 7.431 98 HB2 TYR 13 HB2 TYR 13 9.392 15.497 4.965 99 HB3 TYR 13 HB3 TYR 13 9.322 16.011 6.649 100 HD1 TYR 13 HD1 TYR 13 11.184 15.404 8.214 101 HD2 TYR 13 HD2 TYR 13 11.441 14.778 3.960 102 HE1 TYR 13 HE1 TYR 13 13.684 15.232 8.380 103 HE2 TYR 13 HE2 TYR 13 13.916 14.611 4.123 104 HH TYR 13 HH TYR 13 15.722 14.659 5.506 105 H SER 14 H SER 14 7.520 15.901 5.422 106 HA SER 14 HA SER 14 4.908 15.628 6.333 107 HB2 SER 14 HB2 SER 14 4.337 17.058 4.326 108 HB3 SER 14 HB3 SER 14 5.736 17.646 5.228 109 HG SER 14 HG SER 14 6.077 17.624 2.957 110 H GLN 15 H GLN 15 6.322 13.460 4.068 111 HA GLN 15 HA GLN 15 3.799 12.685 2.804 112 HB2 GLN 15 HB2 GLN 15 6.565 11.574 2.595 113 HB3 GLN 15 HB3 GLN 15 5.151 11.181 1.595 114 HG2 GLN 15 HG2 GLN 15 5.033 13.636 0.978 115 HG3 GLN 15 HG3 GLN 15 6.648 13.807 1.666 116 HE21 GLN 15 HE21 GLN 15 6.897 13.135 -2.022 117 HE22 GLN 15 HE22 GLN 15 6.077 14.347 -1.043 118 H ILE 16 H ILE 16 5.483 11.930 5.759 119 HA ILE 16 HA ILE 16 4.438 9.351 6.394 120 HB ILE 16 HB ILE 16 5.008 11.833 8.090 121 HG12 ILE 16 HG12 ILE 16 6.603 9.261 7.865 122 HG13 ILE 16 HG13 ILE 16 6.852 10.646 6.800 123 HG21 ILE 16 HG21 ILE 16 4.337 9.045 9.086 124 HG22 ILE 16 HG22 ILE 16 5.045 10.320 10.086 125 HG23 ILE 16 HG23 ILE 16 3.437 10.544 9.432 126 HD11 ILE 16 HD11 ILE 16 7.364 12.095 8.741 127 HD12 ILE 16 HD12 ILE 16 7.268 10.673 9.807 128 HD13 ILE 16 HD13 ILE 16 8.502 10.754 8.533 129 H LEU 17 H LEU 17 3.102 12.618 6.819 130 HA LEU 17 HA LEU 17 0.657 11.876 8.047 131 HB2 LEU 17 HB2 LEU 17 1.570 14.171 6.330 132 HB3 LEU 17 HB3 LEU 17 0.066 14.194 7.293 133 HG LEU 17 HG LEU 17 2.757 13.815 8.634 134 HD11 LEU 17 HD11 LEU 17 1.509 16.495 7.971 135 HD12 LEU 17 HD12 LEU 17 2.938 16.201 8.988 136 HD13 LEU 17 HD13 LEU 17 2.980 15.787 7.263 137 HD21 LEU 17 HD21 LEU 17 0.453 13.500 9.781 138 HD22 LEU 17 HD22 LEU 17 1.542 14.684 10.566 139 HD23 LEU 17 HD23 LEU 17 0.187 15.222 9.541 140 H LYS 18 H LYS 18 1.626 11.177 4.813 141 HA LYS 18 HA LYS 18 -1.008 11.195 3.572 142 HB2 LYS 18 HB2 LYS 18 1.479 9.686 2.748 143 HB3 LYS 18 HB3 LYS 18 0.049 9.905 1.778 144 HG2 LYS 18 HG2 LYS 18 1.622 12.302 2.727 145 HG3 LYS 18 HG3 LYS 18 2.165 11.344 1.330 146 HD2 LYS 18 HD2 LYS 18 -0.031 11.787 0.222 147 HD3 LYS 18 HD3 LYS 18 -0.566 12.709 1.648 148 HE2 LYS 18 HE2 LYS 18 1.287 14.323 1.299 149 HE3 LYS 18 HE3 LYS 18 1.829 13.407 -0.116 150 HZ1 LYS 18 HZ1 LYS 18 -0.804 14.751 0.134 151 HZ2 LYS 18 HZ2 LYS 18 0.452 15.288 -0.751 152 HZ3 LYS 18 HZ3 LYS 18 -0.303 13.909 -1.173 153 H GLU 19 H GLU 19 1.063 8.934 5.331 154 HA GLU 19 HA GLU 19 -0.769 6.681 4.724 155 HB2 GLU 19 HB2 GLU 19 1.038 5.204 4.925 156 HB3 GLU 19 HB3 GLU 19 1.559 6.552 3.904 157 HG2 GLU 19 HG2 GLU 19 2.802 7.528 5.795 158 HG3 GLU 19 HG3 GLU 19 2.215 6.253 6.868 159 H GLU 20 H GLU 20 0.783 8.369 7.436 160 HA GLU 20 HA GLU 20 -0.286 6.604 9.478 161 HB2 GLU 20 HB2 GLU 20 0.673 9.487 9.480 162 HB3 GLU 20 HB3 GLU 20 0.070 8.701 10.932 163 HG2 GLU 20 HG2 GLU 20 2.365 7.639 9.239 164 HG3 GLU 20 HG3 GLU 20 2.560 8.641 10.684 165 H PHE 21 H PHE 21 -1.666 9.364 7.667 166 HA PHE 21 HA PHE 21 -3.868 9.752 9.449 167 HB2 PHE 21 HB2 PHE 21 -3.450 11.498 7.942 168 HB3 PHE 21 HB3 PHE 21 -3.471 10.444 6.545 169 HD1 PHE 21 HD1 PHE 21 -5.380 10.551 5.177 170 HD2 PHE 21 HD2 PHE 21 -5.788 11.377 9.393 171 HE1 PHE 21 HE1 PHE 21 -7.798 11.027 4.860 172 HE2 PHE 21 HE2 PHE 21 -8.196 11.845 9.071 173 HZ PHE 21 HZ PHE 21 -9.205 11.673 6.801 174 HA PRO 22 HA PRO 22 -6.301 6.362 6.953 175 HB2 PRO 22 HB2 PRO 22 -3.828 4.819 6.186 176 HB3 PRO 22 HB3 PRO 22 -5.464 4.773 5.445 177 HG2 PRO 22 HG2 PRO 22 -3.494 6.263 4.303 178 HG3 PRO 22 HG3 PRO 22 -5.151 6.938 4.462 179 HD2 PRO 22 HD2 PRO 22 -2.717 7.490 6.141 180 HD3 PRO 22 HD3 PRO 22 -4.001 8.592 5.584 181 H LYS 23 H LYS 23 -3.260 5.734 8.847 182 HA LYS 23 HA LYS 23 -4.357 3.412 10.188 183 HB2 LYS 23 HB2 LYS 23 -2.120 5.276 11.073 184 HB3 LYS 23 HB3 LYS 23 -2.496 3.703 11.774 185 HG2 LYS 23 HG2 LYS 23 -2.034 2.582 9.619 186 HG3 LYS 23 HG3 LYS 23 -1.633 4.146 8.887 187 HD2 LYS 23 HD2 LYS 23 0.159 4.442 10.610 188 HD3 LYS 23 HD3 LYS 23 -0.141 2.797 11.179 189 HE2 LYS 23 HE2 LYS 23 0.655 3.567 8.325 190 HE3 LYS 23 HE3 LYS 23 1.796 3.049 9.569 191 HZ1 LYS 23 HZ1 LYS 23 -0.407 1.379 8.490 192 HZ2 LYS 23 HZ2 LYS 23 1.177 1.199 8.166 193 HZ3 LYS 23 HZ3 LYS 23 0.627 0.914 9.669 194 H ILE 24 H ILE 24 -4.957 6.773 10.577 195 HA ILE 24 HA ILE 24 -6.275 6.326 13.213 196 HB ILE 24 HB ILE 24 -5.979 8.401 13.808 197 HG12 ILE 24 HG12 ILE 24 -5.431 9.946 11.307 198 HG13 ILE 24 HG13 ILE 24 -7.083 9.420 11.423 199 HG21 ILE 24 HG21 ILE 24 -3.775 9.290 13.148 200 HG22 ILE 24 HG22 ILE 24 -3.703 7.501 13.139 201 HG23 ILE 24 HG23 ILE 24 -3.905 8.398 11.626 202 HD11 ILE 24 HD11 ILE 24 -5.730 10.791 13.757 203 HD12 ILE 24 HD12 ILE 24 -6.578 11.649 12.434 204 HD13 ILE 24 HD13 ILE 24 -7.481 10.520 13.430 205 H ASP 25 H ASP 25 -6.955 6.806 9.887 206 HA ASP 25 HA ASP 25 -9.412 8.217 10.052 207 HB2 ASP 25 HB2 ASP 25 -7.901 7.934 8.114 208 HB3 ASP 25 HB3 ASP 25 -8.374 6.235 8.006 209 H SER 26 H SER 26 -8.595 4.949 10.568 210 HA SER 26 HA SER 26 -11.146 3.603 10.694 211 HB2 SER 26 HB2 SER 26 -9.662 2.053 12.067 212 HB3 SER 26 HB3 SER 26 -9.048 2.433 10.425 213 HG SER 26 HG SER 26 -7.435 2.530 12.047 214 H LEU 27 H LEU 27 -8.938 4.960 13.100 215 HA LEU 27 HA LEU 27 -10.549 4.469 15.400 216 HB2 LEU 27 HB2 LEU 27 -8.183 4.502 15.615 217 HB3 LEU 27 HB3 LEU 27 -8.044 6.058 14.795 218 HG LEU 27 HG LEU 27 -9.135 7.195 16.676 219 HD11 LEU 27 HD11 LEU 27 -9.357 6.020 18.854 220 HD12 LEU 27 HD12 LEU 27 -10.437 5.314 17.660 221 HD13 LEU 27 HD13 LEU 27 -8.921 4.483 18.081 222 HD21 LEU 27 HD21 LEU 27 -6.730 5.488 17.471 223 HD22 LEU 27 HD22 LEU 27 -6.658 6.978 16.515 224 HD23 LEU 27 HD23 LEU 27 -7.202 7.037 18.196 225 H ALA 28 H ALA 28 -9.806 7.564 13.756 226 HA ALA 28 HA ALA 28 -11.236 9.267 15.423 227 HB1 ALA 28 HB1 ALA 28 -9.618 9.964 13.666 228 HB2 ALA 28 HB2 ALA 28 -10.808 9.567 12.415 229 HB3 ALA 28 HB3 ALA 28 -11.120 10.889 13.568 230 H GLN 29 H GLN 29 -12.536 7.286 12.892 231 HA GLN 29 HA GLN 29 -15.216 8.375 12.896 232 HB2 GLN 29 HB2 GLN 29 -14.088 5.709 11.995 233 HB3 GLN 29 HB3 GLN 29 -15.787 6.130 11.801 234 HG2 GLN 29 HG2 GLN 29 -13.497 7.780 10.637 235 HG3 GLN 29 HG3 GLN 29 -14.354 6.518 9.766 236 HE21 GLN 29 HE21 GLN 29 -15.934 9.713 8.766 237 HE22 GLN 29 HE22 GLN 29 -14.354 8.954 8.580 238 H ASN 30 H ASN 30 -13.667 6.745 15.378 239 HA ASN 30 HA ASN 30 -16.173 5.771 16.606 240 HB2 ASN 30 HB2 ASN 30 -13.460 4.386 16.406 241 HB3 ASN 30 HB3 ASN 30 -14.762 3.855 17.468 242 HD21 ASN 30 HD21 ASN 30 -14.932 2.809 13.579 243 HD22 ASN 30 HD22 ASN 30 -13.566 3.737 14.171 244 H ASP 31 H ASP 31 -12.801 6.801 17.276 245 HA ASP 31 HA ASP 31 -13.718 8.367 19.573 246 HB2 ASP 31 HB2 ASP 31 -13.175 6.161 20.571 247 HB3 ASP 31 HB3 ASP 31 -11.542 6.262 19.903 248 H CYS 32 H CYS 32 -13.227 9.926 17.832 249 HA CYS 32 HA CYS 32 -10.579 10.496 16.963 250 HB2 CYS 32 HB2 CYS 32 -11.608 12.837 16.590 251 HB3 CYS 32 HB3 CYS 32 -12.313 11.481 15.712 252 HG CYS 32 HG CYS 32 -14.466 11.255 16.847 253 H ASN 33 H ASN 33 -11.927 10.988 20.084 254 HA ASN 33 HA ASN 33 -10.221 13.079 21.027 255 HB2 ASN 33 HB2 ASN 33 -11.281 10.779 22.710 256 HB3 ASN 33 HB3 ASN 33 -10.895 12.409 23.224 257 HD21 ASN 33 HD21 ASN 33 -14.595 11.566 21.874 258 HD22 ASN 33 HD22 ASN 33 -13.342 10.324 22.025 259 H SER 34 H SER 34 -9.698 9.604 20.545 260 HA SER 34 HA SER 34 -6.958 9.683 21.683 261 HB2 SER 34 HB2 SER 34 -8.508 7.516 20.230 262 HB3 SER 34 HB3 SER 34 -6.859 7.349 20.852 263 HG SER 34 HG SER 34 -9.310 7.480 22.219 264 H ALA 35 H ALA 35 -8.596 9.751 18.521 265 HA ALA 35 HA ALA 35 -6.304 9.170 16.958 266 HB1 ALA 35 HB1 ALA 35 -8.942 9.284 16.486 267 HB2 ALA 35 HB2 ALA 35 -8.497 10.874 15.838 268 HB3 ALA 35 HB3 ALA 35 -7.750 9.365 15.208 269 H LEU 36 H LEU 36 -7.398 12.307 18.219 270 HA LEU 36 HA LEU 36 -5.560 13.938 16.800 271 HB2 LEU 36 HB2 LEU 36 -6.066 15.612 18.389 272 HB3 LEU 36 HB3 LEU 36 -7.493 14.610 18.304 273 HG LEU 36 HG LEU 36 -6.341 13.392 20.416 274 HD11 LEU 36 HD11 LEU 36 -5.183 14.984 21.854 275 HD12 LEU 36 HD12 LEU 36 -4.281 14.900 20.343 276 HD13 LEU 36 HD13 LEU 36 -5.356 16.274 20.651 277 HD21 LEU 36 HD21 LEU 36 -8.532 14.508 20.409 278 HD22 LEU 36 HD22 LEU 36 -7.632 14.842 21.890 279 HD23 LEU 36 HD23 LEU 36 -7.737 16.085 20.621 280 H ASP 37 H ASP 37 -5.016 11.823 19.535 281 HA ASP 37 HA ASP 37 -2.190 12.543 19.856 282 HB2 ASP 37 HB2 ASP 37 -3.877 10.357 21.075 283 HB3 ASP 37 HB3 ASP 37 -2.184 10.627 21.463 284 H GLN 38 H GLN 38 -3.509 11.206 17.339 285 HA GLN 38 HA GLN 38 -1.148 9.493 16.859 286 HB2 GLN 38 HB2 GLN 38 -3.876 9.336 15.518 287 HB3 GLN 38 HB3 GLN 38 -2.471 8.355 15.084 288 HG2 GLN 38 HG2 GLN 38 -3.701 8.357 17.866 289 HG3 GLN 38 HG3 GLN 38 -4.214 7.272 16.584 290 HE21 GLN 38 HE21 GLN 38 -0.636 6.532 18.454 291 HE22 GLN 38 HE22 GLN 38 -1.401 8.112 18.674 292 H LEU 39 H LEU 39 -3.265 11.879 15.051 293 HA LEU 39 HA LEU 39 -1.078 12.395 13.204 294 HB2 LEU 39 HB2 LEU 39 -3.415 14.224 13.923 295 HB3 LEU 39 HB3 LEU 39 -2.307 14.425 12.563 296 HG LEU 39 HG LEU 39 -4.363 12.268 12.987 297 HD11 LEU 39 HD11 LEU 39 -5.126 14.490 12.116 298 HD12 LEU 39 HD12 LEU 39 -4.015 14.306 10.744 299 HD13 LEU 39 HD13 LEU 39 -5.373 13.187 10.954 300 HD21 LEU 39 HD21 LEU 39 -3.694 11.468 10.676 301 HD22 LEU 39 HD22 LEU 39 -2.252 12.496 10.784 302 HD23 LEU 39 HD23 LEU 39 -2.485 11.134 11.914 303 H LEU 40 H LEU 40 -2.155 14.238 16.193 304 HA LEU 40 HA LEU 40 -0.071 16.195 15.589 305 HB2 LEU 40 HB2 LEU 40 -1.806 16.178 18.049 306 HB3 LEU 40 HB3 LEU 40 -0.832 17.478 17.407 307 HG LEU 40 HG LEU 40 -2.850 18.223 16.707 308 HD11 LEU 40 HD11 LEU 40 -2.410 16.381 14.353 309 HD12 LEU 40 HD12 LEU 40 -3.378 17.852 14.399 310 HD13 LEU 40 HD13 LEU 40 -1.622 17.941 14.616 311 HD21 LEU 40 HD21 LEU 40 -4.029 16.270 17.688 312 HD22 LEU 40 HD22 LEU 40 -4.792 17.121 16.349 313 HD23 LEU 40 HD23 LEU 40 -4.002 15.547 16.056 314 H VAL 41 H VAL 41 0.120 13.220 16.992 315 HA VAL 41 HA VAL 41 2.371 13.676 18.774 316 HB VAL 41 HB VAL 41 1.125 11.271 17.426 317 HG11 VAL 41 HG11 VAL 41 3.771 11.238 18.966 318 HG12 VAL 41 HG12 VAL 41 2.781 9.807 18.605 319 HG13 VAL 41 HG13 VAL 41 3.508 10.719 17.284 320 HG21 VAL 41 HG21 VAL 41 0.184 12.191 19.553 321 HG22 VAL 41 HG22 VAL 41 0.917 10.597 19.839 322 HG23 VAL 41 HG23 VAL 41 1.776 12.065 20.323 323 H LEU 42 H LEU 42 1.913 13.132 15.304 324 HA LEU 42 HA LEU 42 4.675 12.932 14.586 325 HB2 LEU 42 HB2 LEU 42 2.377 14.129 13.024 326 HB3 LEU 42 HB3 LEU 42 3.933 13.674 12.358 327 HG LEU 42 HG LEU 42 1.995 11.677 13.632 328 HD11 LEU 42 HD11 LEU 42 0.965 12.523 11.648 329 HD12 LEU 42 HD12 LEU 42 2.462 12.358 10.690 330 HD13 LEU 42 HD13 LEU 42 1.595 10.925 11.281 331 HD21 LEU 42 HD21 LEU 42 4.295 10.887 13.728 332 HD22 LEU 42 HD22 LEU 42 3.442 10.011 12.457 333 HD23 LEU 42 HD23 LEU 42 4.556 11.334 12.031 334 H GLU 43 H GLU 43 2.508 15.812 14.571 335 HA GLU 43 HA GLU 43 4.324 17.888 14.121 336 HB2 GLU 43 HB2 GLU 43 1.924 18.256 14.583 337 HB3 GLU 43 HB3 GLU 43 2.107 17.697 16.207 338 HG2 GLU 43 HG2 GLU 43 3.900 19.965 15.609 339 HG3 GLU 43 HG3 GLU 43 2.235 20.329 15.309 340 H LYS 44 H LYS 44 3.771 16.300 17.207 341 HA LYS 44 HA LYS 44 5.619 17.844 18.764 342 HB2 LYS 44 HB2 LYS 44 3.676 16.554 19.615 343 HB3 LYS 44 HB3 LYS 44 4.489 15.044 19.220 344 HG2 LYS 44 HG2 LYS 44 6.324 15.599 20.803 345 HG3 LYS 44 HG3 LYS 44 5.529 17.130 21.200 346 HD2 LYS 44 HD2 LYS 44 4.345 14.359 21.678 347 HD3 LYS 44 HD3 LYS 44 5.193 15.326 22.887 348 HE2 LYS 44 HE2 LYS 44 3.497 17.141 22.622 349 HE3 LYS 44 HE3 LYS 44 2.606 16.132 21.474 350 HZ1 LYS 44 HZ1 LYS 44 1.702 15.936 23.709 351 HZ2 LYS 44 HZ2 LYS 44 2.315 14.495 23.266 352 HZ3 LYS 44 HZ3 LYS 44 3.127 15.446 24.312 353 H LYS 45 H LYS 45 5.935 14.579 17.380 354 HA LYS 45 HA LYS 45 8.686 14.148 18.075 355 HB2 LYS 45 HB2 LYS 45 7.058 12.386 17.405 356 HB3 LYS 45 HB3 LYS 45 7.024 13.035 15.759 357 HG2 LYS 45 HG2 LYS 45 9.446 12.547 15.506 358 HG3 LYS 45 HG3 LYS 45 9.500 11.911 17.154 359 HD2 LYS 45 HD2 LYS 45 7.822 10.774 14.868 360 HD3 LYS 45 HD3 LYS 45 9.398 10.158 15.387 361 HE2 LYS 45 HE2 LYS 45 8.462 9.699 17.660 362 HE3 LYS 45 HE3 LYS 45 6.874 10.245 17.109 363 HZ1 LYS 45 HZ1 LYS 45 8.376 7.932 16.004 364 HZ2 LYS 45 HZ2 LYS 45 7.084 7.834 16.981 365 HZ3 LYS 45 HZ3 LYS 45 6.912 8.424 15.477 366 H THR 46 H THR 46 7.242 15.455 15.099 367 HA THR 46 HA THR 46 9.654 15.693 13.619 368 HB THR 46 HB THR 46 8.347 17.267 12.174 369 HG1 THR 46 HG1 THR 46 6.234 16.466 13.840 370 HG21 THR 46 HG21 THR 46 7.335 14.506 12.858 371 HG22 THR 46 HG22 THR 46 6.627 15.517 11.588 372 HG23 THR 46 HG23 THR 46 8.343 15.054 11.500 373 H ARG 47 H ARG 47 8.029 18.199 15.646 374 HA ARG 47 HA ARG 47 10.122 20.110 14.969 375 HB2 ARG 47 HB2 ARG 47 7.729 20.633 16.000 376 HB3 ARG 47 HB3 ARG 47 8.510 20.359 17.538 377 HG2 ARG 47 HG2 ARG 47 8.600 22.706 17.052 378 HG3 ARG 47 HG3 ARG 47 10.229 22.082 16.984 379 HD2 ARG 47 HD2 ARG 47 9.697 23.736 15.215 380 HD3 ARG 47 HD3 ARG 47 10.237 22.196 14.555 381 HE ARG 47 HE ARG 47 7.578 21.787 14.466 382 HH11 ARG 47 HH11 ARG 47 9.356 24.571 13.317 383 HH12 ARG 47 HH12 ARG 47 8.063 25.038 12.248 384 HH21 ARG 47 HH21 ARG 47 6.027 22.431 13.136 385 HH22 ARG 47 HH22 ARG 47 6.201 23.934 12.226 386 H GLN 48 H GLN 48 9.859 17.703 17.558 387 HA GLN 48 HA GLN 48 12.218 18.605 18.948 388 HB2 GLN 48 HB2 GLN 48 10.625 16.021 19.016 389 HB3 GLN 48 HB3 GLN 48 12.021 16.310 20.048 390 HG2 GLN 48 HG2 GLN 48 9.545 18.089 19.985 391 HG3 GLN 48 HG3 GLN 48 9.811 16.792 21.145 392 HE21 GLN 48 HE21 GLN 48 10.846 20.024 22.725 393 HE22 GLN 48 HE22 GLN 48 9.348 19.427 22.013 394 H ALA 49 H ALA 49 11.666 16.067 16.512 395 HA ALA 49 HA ALA 49 14.340 15.035 16.545 396 HB1 ALA 49 HB1 ALA 49 12.293 13.711 16.132 397 HB2 ALA 49 HB2 ALA 49 11.975 14.653 14.657 398 HB3 ALA 49 HB3 ALA 49 13.403 13.596 14.753 399 H SER 50 H SER 50 13.249 17.877 15.152 400 HA SER 50 HA SER 50 13.766 19.202 13.434 401 HB2 SER 50 HB2 SER 50 16.393 17.712 13.184 402 HB3 SER 50 HB3 SER 50 15.984 19.286 12.469 403 HG SER 50 HG SER 50 17.119 19.464 14.459 404 H ASP 51 H ASP 51 12.268 16.841 12.975 405 HA ASP 51 HA ASP 51 12.526 16.423 10.029 406 HB2 ASP 51 HB2 ASP 51 10.847 14.960 12.094 407 HB3 ASP 51 HB3 ASP 51 10.760 14.679 10.358 408 H LEU 52 H LEU 52 11.839 18.892 11.378 409 HA LEU 52 HA LEU 52 9.128 19.306 11.647 410 HB2 LEU 52 HB2 LEU 52 9.568 21.562 11.865 411 HB3 LEU 52 HB3 LEU 52 10.842 20.636 12.685 412 HG LEU 52 HG LEU 52 11.122 22.038 9.984 413 HD11 LEU 52 HD11 LEU 52 12.462 23.691 11.245 414 HD12 LEU 52 HD12 LEU 52 10.777 23.643 11.762 415 HD13 LEU 52 HD13 LEU 52 12.032 22.869 12.764 416 HD21 LEU 52 HD21 LEU 52 13.151 20.720 11.833 417 HD22 LEU 52 HD22 LEU 52 12.751 20.239 10.162 418 HD23 LEU 52 HD23 LEU 52 13.585 21.762 10.458 419 H ALA 53 H ALA 53 10.823 19.306 8.757 420 HA ALA 53 HA ALA 53 9.163 20.792 6.982 421 HB1 ALA 53 HB1 ALA 53 9.889 19.130 5.268 422 HB2 ALA 53 HB2 ALA 53 11.243 19.697 6.265 423 HB3 ALA 53 HB3 ALA 53 10.531 18.094 6.561 424 H SER 54 H SER 54 8.511 17.806 8.670 425 HA SER 54 HA SER 54 5.780 17.473 7.470 426 HB2 SER 54 HB2 SER 54 6.037 15.774 9.681 427 HB3 SER 54 HB3 SER 54 6.103 15.367 7.998 428 HG SER 54 HG SER 54 8.425 16.007 9.537 429 H SER 55 H SER 55 7.315 18.352 10.635 430 HA SER 55 HA SER 55 5.051 18.789 12.158 431 HB2 SER 55 HB2 SER 55 7.503 19.280 12.805 432 HB3 SER 55 HB3 SER 55 7.280 20.831 12.040 433 HG SER 55 HG SER 55 5.987 19.707 14.295 434 H LYS 56 H LYS 56 6.461 21.052 9.849 435 HA LYS 56 HA LYS 56 4.565 23.198 10.042 436 HB2 LYS 56 HB2 LYS 56 6.512 22.319 7.875 437 HB3 LYS 56 HB3 LYS 56 5.568 23.809 7.769 438 HG2 LYS 56 HG2 LYS 56 6.539 24.619 9.887 439 HG3 LYS 56 HG3 LYS 56 7.541 23.171 10.009 440 HD2 LYS 56 HD2 LYS 56 7.665 25.243 7.772 441 HD3 LYS 56 HD3 LYS 56 8.775 25.131 9.149 442 HE2 LYS 56 HE2 LYS 56 9.427 22.820 8.399 443 HE3 LYS 56 HE3 LYS 56 8.382 23.015 6.979 444 HZ1 LYS 56 HZ1 LYS 56 9.752 24.893 6.287 445 HZ2 LYS 56 HZ2 LYS 56 10.711 24.754 7.593 446 HZ3 LYS 56 HZ3 LYS 56 10.694 23.587 6.458 447 H GLU 57 H GLU 57 4.285 20.187 8.380 448 HA GLU 57 HA GLU 57 2.065 21.028 6.592 449 HB2 GLU 57 HB2 GLU 57 3.855 19.528 5.793 450 HB3 GLU 57 HB3 GLU 57 3.530 18.428 7.109 451 HG2 GLU 57 HG2 GLU 57 2.540 17.387 5.425 452 HG3 GLU 57 HG3 GLU 57 1.171 18.179 6.207 453 H VAL 58 H VAL 58 2.602 19.148 9.590 454 HA VAL 58 HA VAL 58 -0.249 18.530 9.825 455 HB VAL 58 HB VAL 58 1.274 16.934 10.606 456 HG11 VAL 58 HG11 VAL 58 3.183 18.195 11.231 457 HG12 VAL 58 HG12 VAL 58 2.336 18.958 12.571 458 HG13 VAL 58 HG13 VAL 58 2.691 17.191 12.555 459 HG21 VAL 58 HG21 VAL 58 -0.861 17.090 11.859 460 HG22 VAL 58 HG22 VAL 58 0.461 16.439 12.835 461 HG23 VAL 58 HG23 VAL 58 -0.045 18.124 13.049 462 H LEU 59 H LEU 59 1.791 21.159 11.041 463 HA LEU 59 HA LEU 59 0.025 22.242 12.970 464 HB2 LEU 59 HB2 LEU 59 1.495 23.901 10.894 465 HB3 LEU 59 HB3 LEU 59 0.876 24.439 12.447 466 HG LEU 59 HG LEU 59 3.370 22.962 11.811 467 HD11 LEU 59 HD11 LEU 59 4.273 24.512 13.573 468 HD12 LEU 59 HD12 LEU 59 3.646 25.265 12.099 469 HD13 LEU 59 HD13 LEU 59 2.697 25.298 13.593 470 HD21 LEU 59 HD21 LEU 59 3.733 22.262 14.074 471 HD22 LEU 59 HD22 LEU 59 2.137 22.875 14.584 472 HD23 LEU 59 HD23 LEU 59 2.301 21.489 13.470 473 H ALA 60 H ALA 60 -0.431 22.191 9.507 474 HA ALA 60 HA ALA 60 -2.534 24.139 9.540 475 HB1 ALA 60 HB1 ALA 60 -0.989 23.830 7.619 476 HB2 ALA 60 HB2 ALA 60 -1.546 22.155 7.429 477 HB3 ALA 60 HB3 ALA 60 -2.658 23.506 7.099 478 H LYS 61 H LYS 61 -2.574 20.915 10.483 479 HA LYS 61 HA LYS 61 -5.481 21.164 10.574 480 HB2 LYS 61 HB2 LYS 61 -6.061 19.305 9.708 481 HB3 LYS 61 HB3 LYS 61 -4.546 19.518 8.833 482 HG2 LYS 61 HG2 LYS 61 -4.871 17.698 11.273 483 HG3 LYS 61 HG3 LYS 61 -5.177 17.174 9.630 484 HD2 LYS 61 HD2 LYS 61 -2.525 18.216 10.650 485 HD3 LYS 61 HD3 LYS 61 -2.937 16.521 10.463 486 HE2 LYS 61 HE2 LYS 61 -2.757 18.586 8.208 487 HE3 LYS 61 HE3 LYS 61 -1.572 17.325 8.545 488 HZ1 LYS 61 HZ1 LYS 61 -3.024 16.686 6.734 489 HZ2 LYS 61 HZ2 LYS 61 -3.277 15.659 7.968 490 HZ3 LYS 61 HZ3 LYS 61 -4.360 16.836 7.638 491 H ILE 62 H ILE 62 -2.944 21.335 12.359 492 HA ILE 62 HA ILE 62 -3.663 20.016 14.771 493 HB ILE 62 HB ILE 62 -1.982 22.306 14.118 494 HG12 ILE 62 HG12 ILE 62 -1.102 21.621 16.551 495 HG13 ILE 62 HG13 ILE 62 -2.154 20.245 16.315 496 HG21 ILE 62 HG21 ILE 62 -3.683 22.659 16.588 497 HG22 ILE 62 HG22 ILE 62 -2.204 23.522 16.305 498 HG23 ILE 62 HG23 ILE 62 -3.530 23.777 15.189 499 HD11 ILE 62 HD11 ILE 62 -0.894 20.046 14.002 500 HD12 ILE 62 HD12 ILE 62 0.279 21.145 14.769 501 HD13 ILE 62 HD13 ILE 62 -0.043 19.558 15.484 502 H VAL 63 H VAL 63 -5.169 22.943 13.253 503 HA VAL 63 HA VAL 63 -6.830 23.291 15.630 504 HB VAL 63 HB VAL 63 -6.344 25.121 14.061 505 HG11 VAL 63 HG11 VAL 63 -7.618 25.500 12.085 506 HG12 VAL 63 HG12 VAL 63 -6.804 23.935 11.910 507 HG13 VAL 63 HG13 VAL 63 -8.543 23.999 12.305 508 HG21 VAL 63 HG21 VAL 63 -8.685 26.065 14.293 509 HG22 VAL 63 HG22 VAL 63 -9.179 24.475 14.880 510 HG23 VAL 63 HG23 VAL 63 -7.949 25.391 15.774 511 H ASP 64 H ASP 64 -7.182 21.465 12.747 512 HA ASP 64 HA ASP 64 -9.951 20.940 12.993 513 HB2 ASP 64 HB2 ASP 64 -7.823 19.571 11.294 514 HB3 ASP 64 HB3 ASP 64 -9.550 19.267 11.129 515 H LEU 65 H LEU 65 -7.275 19.370 14.467 516 HA LEU 65 HA LEU 65 -9.159 17.308 15.569 517 HB2 LEU 65 HB2 LEU 65 -6.276 16.968 14.777 518 HB3 LEU 65 HB3 LEU 65 -6.964 16.063 16.123 519 HG LEU 65 HG LEU 65 -8.803 15.283 14.457 520 HD11 LEU 65 HD11 LEU 65 -6.630 16.227 12.533 521 HD12 LEU 65 HD12 LEU 65 -7.970 15.129 12.116 522 HD13 LEU 65 HD13 LEU 65 -8.308 16.790 12.604 523 HD21 LEU 65 HD21 LEU 65 -7.243 13.776 15.403 524 HD22 LEU 65 HD22 LEU 65 -7.318 13.467 13.671 525 HD23 LEU 65 HD23 LEU 65 -5.928 14.349 14.350 526 H LEU 66 H LEU 66 -6.267 19.363 16.413 527 HA LEU 66 HA LEU 66 -6.406 18.718 19.189 528 HB2 LEU 66 HB2 LEU 66 -4.529 19.831 17.586 529 HB3 LEU 66 HB3 LEU 66 -5.223 21.313 18.236 530 HG LEU 66 HG LEU 66 -4.773 20.264 20.556 531 HD11 LEU 66 HD11 LEU 66 -3.055 18.609 20.705 532 HD12 LEU 66 HD12 LEU 66 -4.284 17.947 19.617 533 HD13 LEU 66 HD13 LEU 66 -2.788 18.627 18.952 534 HD21 LEU 66 HD21 LEU 66 -2.761 21.312 18.558 535 HD22 LEU 66 HD22 LEU 66 -3.489 22.092 19.993 536 HD23 LEU 66 HD23 LEU 66 -2.234 20.853 20.171 537 H ALA 67 H ALA 67 -7.146 22.047 17.819 538 HA ALA 67 HA ALA 67 -8.799 22.861 19.957 539 HB1 ALA 67 HB1 ALA 67 -9.780 24.397 18.174 540 HB2 ALA 67 HB2 ALA 67 -8.020 24.418 18.313 541 HB3 ALA 67 HB3 ALA 67 -8.770 23.523 16.992 542 H SER 68 H SER 68 -9.690 21.086 17.085 543 HA SER 68 HA SER 68 -12.496 21.118 17.276 544 HB2 SER 68 HB2 SER 68 -11.210 20.474 15.304 545 HB3 SER 68 HB3 SER 68 -10.626 19.024 16.143 546 HG SER 68 HG SER 68 -12.341 18.591 14.746 547 H ARG 69 H ARG 69 -10.233 18.933 18.946 548 HA ARG 69 HA ARG 69 -12.514 17.411 20.177 549 HB2 ARG 69 HB2 ARG 69 -9.703 16.461 19.626 550 HB3 ARG 69 HB3 ARG 69 -10.999 15.491 20.304 551 HG2 ARG 69 HG2 ARG 69 -10.968 16.616 17.460 552 HG3 ARG 69 HG3 ARG 69 -10.477 15.001 17.940 553 HD2 ARG 69 HD2 ARG 69 -12.662 14.820 17.059 554 HD3 ARG 69 HD3 ARG 69 -12.779 14.568 18.813 555 HE ARG 69 HE ARG 69 -13.278 17.328 18.150 556 HH11 ARG 69 HH11 ARG 69 -14.959 14.252 17.850 557 HH12 ARG 69 HH12 ARG 69 -16.516 15.038 17.959 558 HH21 ARG 69 HH21 ARG 69 -15.219 18.195 18.329 559 HH22 ARG 69 HH22 ARG 69 -16.664 17.204 18.210 560 H ASN 70 H ASN 70 -11.654 19.848 21.098 561 HA ASN 70 HA ASN 70 -11.302 20.945 22.935 562 HB2 ASN 70 HB2 ASN 70 -11.983 18.354 24.344 563 HB3 ASN 70 HB3 ASN 70 -12.005 19.944 25.099 564 HD21 ASN 70 HD21 ASN 70 -15.381 18.848 23.507 565 HD22 ASN 70 HD22 ASN 70 -14.152 17.794 24.193 566 H LYS 71 H LYS 71 -8.868 19.846 21.810 567 HA LYS 71 HA LYS 71 -7.133 20.455 24.115 568 HB2 LYS 71 HB2 LYS 71 -6.396 19.024 21.549 569 HB3 LYS 71 HB3 LYS 71 -5.261 19.449 22.835 570 HG2 LYS 71 HG2 LYS 71 -7.584 17.501 23.048 571 HG3 LYS 71 HG3 LYS 71 -5.870 17.104 22.899 572 HD2 LYS 71 HD2 LYS 71 -5.391 18.153 25.082 573 HD3 LYS 71 HD3 LYS 71 -7.117 18.538 25.278 574 HE2 LYS 71 HE2 LYS 71 -7.687 16.137 25.158 575 HE3 LYS 71 HE3 LYS 71 -5.981 15.725 24.929 576 HZ1 LYS 71 HZ1 LYS 71 -7.120 17.021 27.344 577 HZ2 LYS 71 HZ2 LYS 71 -6.638 15.473 27.241 578 HZ3 LYS 71 HZ3 LYS 71 -5.538 16.666 27.139 579 H TRP 72 H TRP 72 -8.730 22.247 22.536 580 HA TRP 72 HA TRP 72 -7.341 24.121 21.029 581 HB2 TRP 72 HB2 TRP 72 -8.862 25.704 22.664 582 HB3 TRP 72 HB3 TRP 72 -9.411 24.843 21.243 583 HD1 TRP 72 HD1 TRP 72 -11.642 23.900 21.520 584 HE1 TRP 72 HE1 TRP 72 -13.088 22.929 23.397 585 HE3 TRP 72 HE3 TRP 72 -8.298 24.153 25.430 586 HZ2 TRP 72 HZ2 TRP 72 -12.845 22.300 26.172 587 HZ3 TRP 72 HZ3 TRP 72 -8.925 23.294 27.649 588 HH2 TRP 72 HH2 TRP 72 -11.194 22.368 28.049 589 H ASP 73 H ASP 73 -6.734 23.379 24.365 590 HA ASP 73 HA ASP 73 -5.361 25.700 25.218 591 HB2 ASP 73 HB2 ASP 73 -6.188 23.698 26.549 592 HB3 ASP 73 HB3 ASP 73 -4.831 22.776 25.902 593 H ASP 74 H ASP 74 -4.296 23.032 23.078 594 HA ASP 74 HA ASP 74 -1.524 23.996 23.197 595 HB2 ASP 74 HB2 ASP 74 -2.794 21.458 22.233 596 HB3 ASP 74 HB3 ASP 74 -1.085 21.853 21.930 597 H LEU 75 H LEU 75 -4.154 24.773 21.210 598 HA LEU 75 HA LEU 75 -2.845 25.170 18.687 599 HB2 LEU 75 HB2 LEU 75 -5.209 26.282 20.085 600 HB3 LEU 75 HB3 LEU 75 -4.453 27.321 18.858 601 HG LEU 75 HG LEU 75 -6.376 25.813 18.142 602 HD11 LEU 75 HD11 LEU 75 -5.321 25.278 15.975 603 HD12 LEU 75 HD12 LEU 75 -5.138 26.941 16.558 604 HD13 LEU 75 HD13 LEU 75 -3.767 25.808 16.652 605 HD21 LEU 75 HD21 LEU 75 -4.327 23.622 18.365 606 HD22 LEU 75 HD22 LEU 75 -5.829 23.774 19.269 607 HD23 LEU 75 HD23 LEU 75 -5.872 23.521 17.511 608 H ASN 76 H ASN 76 -2.902 27.099 21.614 609 HA ASN 76 HA ASN 76 -1.196 29.270 21.129 610 HB2 ASN 76 HB2 ASN 76 -2.282 28.994 23.219 611 HB3 ASN 76 HB3 ASN 76 -1.722 27.342 23.387 612 HD21 ASN 76 HD21 ASN 76 0.718 28.444 25.617 613 HD22 ASN 76 HD22 ASN 76 -0.682 27.417 25.343 614 H GLU 77 H GLU 77 -0.244 25.854 21.633 615 HA GLU 77 HA GLU 77 2.581 26.423 21.607 616 HB2 GLU 77 HB2 GLU 77 1.275 24.442 22.765 617 HB3 GLU 77 HB3 GLU 77 1.430 23.673 21.192 618 HG2 GLU 77 HG2 GLU 77 3.258 22.926 22.509 619 HG3 GLU 77 HG3 GLU 77 3.925 24.034 21.317 620 H GLN 78 H GLN 78 0.201 25.243 19.202 621 HA GLN 78 HA GLN 78 2.091 24.752 17.092 622 HB2 GLN 78 HB2 GLN 78 -0.011 23.764 17.008 623 HB3 GLN 78 HB3 GLN 78 -0.884 25.270 17.186 624 HG2 GLN 78 HG2 GLN 78 0.881 25.016 14.766 625 HG3 GLN 78 HG3 GLN 78 -0.516 23.981 14.815 626 HE21 GLN 78 HE21 GLN 78 -1.979 26.831 13.189 627 HE22 GLN 78 HE22 GLN 78 -1.438 25.168 12.921 628 H LEU 79 H LEU 79 0.374 27.796 17.993 629 HA LEU 79 HA LEU 79 1.575 29.383 15.948 630 HB2 LEU 79 HB2 LEU 79 0.948 30.194 18.823 631 HB3 LEU 79 HB3 LEU 79 1.132 31.318 17.494 632 HG LEU 79 HG LEU 79 -1.141 29.331 17.916 633 HD11 LEU 79 HD11 LEU 79 -2.386 31.601 17.758 634 HD12 LEU 79 HD12 LEU 79 -1.521 31.190 19.244 635 HD13 LEU 79 HD13 LEU 79 -0.817 32.330 18.070 636 HD21 LEU 79 HD21 LEU 79 -2.155 30.034 15.871 637 HD22 LEU 79 HD22 LEU 79 -0.811 31.184 15.538 638 HD23 LEU 79 HD23 LEU 79 -0.577 29.423 15.499 639 H THR 80 H THR 80 2.927 28.034 18.848 640 HA THR 80 HA THR 80 5.175 29.898 19.015 641 HB THR 80 HB THR 80 4.041 27.616 20.642 642 HG1 THR 80 HG1 THR 80 2.872 29.289 21.015 643 HG21 THR 80 HG21 THR 80 6.508 29.214 21.205 644 HG22 THR 80 HG22 THR 80 5.596 28.294 22.443 645 HG23 THR 80 HG23 THR 80 6.312 27.426 21.069 646 H LEU 81 H LEU 81 4.749 26.502 18.130 647 HA LEU 81 HA LEU 81 6.845 25.103 18.698 648 HB2 LEU 81 HB2 LEU 81 4.961 25.133 16.543 649 HB3 LEU 81 HB3 LEU 81 6.522 24.583 15.932 650 HG LEU 81 HG LEU 81 6.633 22.922 17.807 651 HD11 LEU 81 HD11 LEU 81 4.710 22.363 19.133 652 HD12 LEU 81 HD12 LEU 81 5.088 24.073 19.409 653 HD13 LEU 81 HD13 LEU 81 3.739 23.616 18.350 654 HD21 LEU 81 HD21 LEU 81 4.042 22.572 16.274 655 HD22 LEU 81 HD22 LEU 81 5.648 22.394 15.523 656 HD23 LEU 81 HD23 LEU 81 5.177 21.334 16.853 657 H LEU 82 H LEU 82 7.496 27.356 15.988 658 HA LEU 82 HA LEU 82 10.321 26.359 16.060 659 HB2 LEU 82 HB2 LEU 82 10.719 27.143 14.000 660 HB3 LEU 82 HB3 LEU 82 9.009 26.799 13.899 661 HG LEU 82 HG LEU 82 8.713 29.374 14.394 662 HD11 LEU 82 HD11 LEU 82 10.488 30.742 13.352 663 HD12 LEU 82 HD12 LEU 82 11.113 29.946 14.790 664 HD13 LEU 82 HD13 LEU 82 11.524 29.309 13.192 665 HD21 LEU 82 HD21 LEU 82 8.887 29.784 11.922 666 HD22 LEU 82 HD22 LEU 82 9.773 28.261 11.751 667 HD23 LEU 82 HD23 LEU 82 8.079 28.255 12.284 668 H SER 83 H SER 83 8.458 29.026 17.137 669 HA SER 83 HA SER 83 10.680 30.901 17.556 670 HB2 SER 83 HB2 SER 83 8.442 31.627 16.795 671 HB3 SER 83 HB3 SER 83 7.711 30.972 18.254 672 HG SER 83 HG SER 83 9.492 33.175 17.990 673 H LYS 84 H LYS 84 8.714 28.637 19.443 674 HA LYS 84 HA LYS 84 8.507 28.268 21.723 675 HB2 LYS 84 HB2 LYS 84 11.239 27.642 20.746 676 HB3 LYS 84 HB3 LYS 84 10.911 27.354 22.463 677 HG2 LYS 84 HG2 LYS 84 9.120 26.261 20.253 678 HG3 LYS 84 HG3 LYS 84 10.547 25.402 20.847 679 HD2 LYS 84 HD2 LYS 84 9.608 25.421 23.152 680 HD3 LYS 84 HD3 LYS 84 8.139 26.201 22.553 681 HE2 LYS 84 HE2 LYS 84 7.659 24.266 21.093 682 HE3 LYS 84 HE3 LYS 84 9.191 23.507 21.573 683 HZ1 LYS 84 HZ1 LYS 84 6.853 24.024 23.340 684 HZ2 LYS 84 HZ2 LYS 84 7.404 22.575 22.855 685 HZ3 LYS 84 HZ3 LYS 84 8.299 23.461 23.883 686 H LYS 85 H LYS 85 11.668 29.347 22.648 687 HA LYS 85 HA LYS 85 10.491 31.382 24.453 688 HB2 LYS 85 HB2 LYS 85 12.299 29.916 25.263 689 HB3 LYS 85 HB3 LYS 85 13.403 30.577 24.054 690 HG2 LYS 85 HG2 LYS 85 13.188 32.832 25.076 691 HG3 LYS 85 HG3 LYS 85 11.973 32.218 26.198 692 HD2 LYS 85 HD2 LYS 85 14.058 32.424 27.363 693 HD3 LYS 85 HD3 LYS 85 13.675 30.705 27.210 694 HE2 LYS 85 HE2 LYS 85 15.259 30.516 25.302 695 HE3 LYS 85 HE3 LYS 85 15.603 32.249 25.408 696 HZ1 LYS 85 HZ1 LYS 85 16.177 30.265 27.543 697 HZ2 LYS 85 HZ2 LYS 85 17.285 30.935 26.561 698 HZ3 LYS 85 HZ3 LYS 85 16.497 31.861 27.640 699 H HIS 86 H HIS 86 13.268 31.679 22.287 700 HA HIS 86 HA HIS 86 11.998 33.504 20.478 701 HB2 HIS 86 HB2 HIS 86 12.894 34.851 22.622 702 HB3 HIS 86 HB3 HIS 86 14.427 34.707 21.784 703 HD2 HIS 86 HD2 HIS 86 11.933 37.197 22.214 704 HE1 HIS 86 HE1 HIS 86 12.796 37.673 18.064 705 HE2 HIS 86 HE2 HIS 86 11.761 38.781 20.104 706 H GLY 87 H GLY 87 13.693 34.223 18.801 707 HA2 GLY 87 HA2 GLY 87 16.183 33.371 18.303 708 HA3 GLY 87 HA3 GLY 87 15.299 31.879 17.963 709 H GLN 88 H GLN 88 12.953 33.424 16.925 710 HA GLN 88 HA GLN 88 13.913 34.762 14.477 711 HB2 GLN 88 HB2 GLN 88 12.120 32.285 14.461 712 HB3 GLN 88 HB3 GLN 88 12.294 33.398 13.121 713 HG2 GLN 88 HG2 GLN 88 13.732 31.771 12.455 714 HG3 GLN 88 HG3 GLN 88 14.841 32.897 13.215 715 HE21 GLN 88 HE21 GLN 88 15.939 29.608 14.402 716 HE22 GLN 88 HE22 GLN 88 16.046 30.635 12.976 717 H LEU 89 H LEU 89 12.360 36.117 13.529 718 HA LEU 89 HA LEU 89 10.440 37.320 15.265 719 HB2 LEU 89 HB2 LEU 89 9.930 38.763 13.363 720 HB3 LEU 89 HB3 LEU 89 11.657 38.509 13.530 721 HG LEU 89 HG LEU 89 11.152 36.548 11.700 722 HD11 LEU 89 HD11 LEU 89 9.522 37.300 10.071 723 HD12 LEU 89 HD12 LEU 89 8.684 37.170 11.624 724 HD13 LEU 89 HD13 LEU 89 9.172 38.760 11.016 725 HD21 LEU 89 HD21 LEU 89 11.849 38.174 9.983 726 HD22 LEU 89 HD22 LEU 89 11.530 39.510 11.122 727 HD23 LEU 89 HD23 LEU 89 12.804 38.326 11.468 728 H LYS 90 H LYS 90 8.338 37.191 15.443 729 HA LYS 90 HA LYS 90 7.132 34.623 14.896 730 HB2 LYS 90 HB2 LYS 90 6.657 35.886 16.931 731 HB3 LYS 90 HB3 LYS 90 5.960 37.221 16.001 732 HG2 LYS 90 HG2 LYS 90 4.323 35.802 17.189 733 HG3 LYS 90 HG3 LYS 90 4.016 35.981 15.458 734 HD2 LYS 90 HD2 LYS 90 4.773 33.737 15.067 735 HD3 LYS 90 HD3 LYS 90 5.328 33.544 16.745 736 HE2 LYS 90 HE2 LYS 90 3.204 33.203 17.530 737 HE3 LYS 90 HE3 LYS 90 2.485 34.348 16.374 738 HZ1 LYS 90 HZ1 LYS 90 1.778 32.131 15.802 739 HZ2 LYS 90 HZ2 LYS 90 2.830 32.574 14.617 740 HZ3 LYS 90 HZ3 LYS 90 3.297 31.564 15.812 741 H LEU 91 H LEU 91 6.828 37.679 13.055 742 HA LEU 91 HA LEU 91 4.530 37.069 11.640 743 HB2 LEU 91 HB2 LEU 91 5.728 39.206 11.601 744 HB3 LEU 91 HB3 LEU 91 6.959 38.468 10.556 745 HG LEU 91 HG LEU 91 5.399 38.197 8.753 746 HD11 LEU 91 HD11 LEU 91 3.094 39.186 8.881 747 HD12 LEU 91 HD12 LEU 91 3.279 37.757 9.888 748 HD13 LEU 91 HD13 LEU 91 3.299 39.374 10.634 749 HD21 LEU 91 HD21 LEU 91 6.548 40.364 8.998 750 HD22 LEU 91 HD22 LEU 91 4.960 40.555 8.249 751 HD23 LEU 91 HD23 LEU 91 5.182 40.987 9.961 752 H SER 92 H SER 92 7.343 35.275 11.510 753 HA SER 92 HA SER 92 6.968 34.078 8.834 754 HB2 SER 92 HB2 SER 92 9.245 34.370 9.716 755 HB3 SER 92 HB3 SER 92 8.843 33.391 11.135 756 HG SER 92 HG SER 92 9.067 32.587 8.423 757 H ILE 93 H ILE 93 6.678 33.025 12.251 758 HA ILE 93 HA ILE 93 5.108 30.628 11.495 759 HB ILE 93 HB ILE 93 6.918 30.430 13.019 760 HG12 ILE 93 HG12 ILE 93 4.264 29.789 14.382 761 HG13 ILE 93 HG13 ILE 93 4.940 28.866 13.043 762 HG21 ILE 93 HG21 ILE 93 5.495 31.654 15.301 763 HG22 ILE 93 HG22 ILE 93 7.188 31.240 15.086 764 HG23 ILE 93 HG23 ILE 93 6.561 32.646 14.237 765 HD11 ILE 93 HD11 ILE 93 5.309 27.859 15.278 766 HD12 ILE 93 HD12 ILE 93 6.789 28.170 14.356 767 HD13 ILE 93 HD13 ILE 93 6.345 29.238 15.724 768 H GLN 94 H GLN 94 4.372 33.825 11.849 769 HA GLN 94 HA GLN 94 1.856 33.737 13.179 770 HB2 GLN 94 HB2 GLN 94 3.224 35.698 12.771 771 HB3 GLN 94 HB3 GLN 94 2.859 35.622 11.032 772 HG2 GLN 94 HG2 GLN 94 0.618 35.853 13.038 773 HG3 GLN 94 HG3 GLN 94 1.735 37.212 12.828 774 HE21 GLN 94 HE21 GLN 94 -0.675 36.393 9.587 775 HE22 GLN 94 HE22 GLN 94 -0.288 35.047 10.660 776 H TYR 95 H TYR 95 2.827 32.946 9.882 777 HA TYR 95 HA TYR 95 0.395 32.736 8.522 778 HB2 TYR 95 HB2 TYR 95 2.632 32.227 7.603 779 HB3 TYR 95 HB3 TYR 95 2.730 30.776 8.587 780 HD1 TYR 95 HD1 TYR 95 1.320 28.775 8.068 781 HD2 TYR 95 HD2 TYR 95 1.323 32.286 5.553 782 HE1 TYR 95 HE1 TYR 95 0.258 27.471 6.234 783 HE2 TYR 95 HE2 TYR 95 0.269 30.972 3.722 784 HH TYR 95 HH TYR 95 -0.509 28.940 3.062 785 H MET 96 H MET 96 1.630 30.529 11.033 786 HA MET 96 HA MET 96 -0.370 28.496 10.878 787 HB2 MET 96 HB2 MET 96 1.135 29.474 13.324 788 HB3 MET 96 HB3 MET 96 0.441 27.867 13.084 789 HG2 MET 96 HG2 MET 96 2.830 29.082 11.673 790 HG3 MET 96 HG3 MET 96 2.824 27.702 12.762 791 HE1 MET 96 HE1 MET 96 3.909 28.299 9.523 792 HE2 MET 96 HE2 MET 96 4.497 27.001 10.587 793 HE3 MET 96 HE3 MET 96 3.841 26.609 8.983 794 H ILE 97 H ILE 97 -0.494 31.693 12.281 795 HA ILE 97 HA ILE 97 -2.647 31.243 14.086 796 HB ILE 97 HB ILE 97 -1.055 33.372 13.682 797 HG12 ILE 97 HG12 ILE 97 -3.854 33.656 14.834 798 HG13 ILE 97 HG13 ILE 97 -2.561 32.763 15.632 799 HG21 ILE 97 HG21 ILE 97 -2.305 34.019 11.533 800 HG22 ILE 97 HG22 ILE 97 -3.728 34.313 12.540 801 HG23 ILE 97 HG23 ILE 97 -2.255 35.284 12.767 802 HD11 ILE 97 HD11 ILE 97 -2.546 35.730 15.012 803 HD12 ILE 97 HD12 ILE 97 -2.645 34.917 16.586 804 HD13 ILE 97 HD13 ILE 97 -1.139 34.816 15.613 805 H GLN 98 H GLN 98 -2.700 31.458 10.614 806 HA GLN 98 HA GLN 98 -5.437 32.127 10.250 807 HB2 GLN 98 HB2 GLN 98 -3.597 30.284 8.671 808 HB3 GLN 98 HB3 GLN 98 -5.175 30.830 8.099 809 HG2 GLN 98 HG2 GLN 98 -4.474 33.149 8.056 810 HG3 GLN 98 HG3 GLN 98 -2.934 32.766 8.834 811 HE21 GLN 98 HE21 GLN 98 -1.515 31.248 5.859 812 HE22 GLN 98 HE22 GLN 98 -1.597 31.012 7.603 813 H LYS 99 H LYS 99 -3.981 29.222 11.539 814 HA LYS 99 HA LYS 99 -6.473 27.636 11.410 815 HB2 LYS 99 HB2 LYS 99 -3.784 27.027 12.701 816 HB3 LYS 99 HB3 LYS 99 -5.076 25.877 12.438 817 HG2 LYS 99 HG2 LYS 99 -3.474 27.284 10.242 818 HG3 LYS 99 HG3 LYS 99 -3.301 25.621 10.769 819 HD2 LYS 99 HD2 LYS 99 -5.510 25.032 9.964 820 HD3 LYS 99 HD3 LYS 99 -5.917 26.713 9.599 821 HE2 LYS 99 HE2 LYS 99 -4.399 26.868 7.795 822 HE3 LYS 99 HE3 LYS 99 -3.569 25.373 8.236 823 HZ1 LYS 99 HZ1 LYS 99 -6.387 25.497 7.299 824 HZ2 LYS 99 HZ2 LYS 99 -5.122 25.057 6.376 825 HZ3 LYS 99 HZ3 LYS 99 -5.552 24.130 7.651 826 H VAL 100 H VAL 100 -4.493 29.339 13.957 827 HA VAL 100 HA VAL 100 -6.370 28.835 16.017 828 HB VAL 100 HB VAL 100 -4.223 30.747 15.479 829 HG11 VAL 100 HG11 VAL 100 -6.318 31.842 17.368 830 HG12 VAL 100 HG12 VAL 100 -4.679 32.471 17.057 831 HG13 VAL 100 HG13 VAL 100 -5.864 32.535 15.788 832 HG21 VAL 100 HG21 VAL 100 -3.926 28.905 16.994 833 HG22 VAL 100 HG22 VAL 100 -4.000 30.338 18.044 834 HG23 VAL 100 HG23 VAL 100 -5.390 29.320 17.895 835 H MET 101 H MET 101 -6.353 31.496 13.699 836 HA MET 101 HA MET 101 -8.816 32.681 14.286 837 HB2 MET 101 HB2 MET 101 -7.097 32.619 11.816 838 HB3 MET 101 HB3 MET 101 -8.562 33.612 11.951 839 HG2 MET 101 HG2 MET 101 -7.629 34.673 13.995 840 HG3 MET 101 HG3 MET 101 -6.123 33.783 13.743 841 HE1 MET 101 HE1 MET 101 -5.148 37.476 12.909 842 HE2 MET 101 HE2 MET 101 -6.347 36.960 14.114 843 HE3 MET 101 HE3 MET 101 -4.827 36.056 13.929 844 H GLU 102 H GLU 102 -8.405 29.591 12.884 845 HA GLU 102 HA GLU 102 -10.801 29.803 11.263 846 HB2 GLU 102 HB2 GLU 102 -8.917 28.565 10.349 847 HB3 GLU 102 HB3 GLU 102 -8.898 27.492 11.746 848 HG2 GLU 102 HG2 GLU 102 -9.790 26.373 9.792 849 HG3 GLU 102 HG3 GLU 102 -10.984 26.459 11.074 850 H TYR 103 H TYR 103 -10.053 27.911 14.232 851 HA TYR 103 HA TYR 103 -12.968 27.718 14.645 852 HB2 TYR 103 HB2 TYR 103 -12.511 25.673 13.473 853 HB3 TYR 103 HB3 TYR 103 -11.180 25.289 14.553 854 HD1 TYR 103 HD1 TYR 103 -11.549 24.140 16.619 855 HD2 TYR 103 HD2 TYR 103 -14.889 25.798 14.446 856 HE1 TYR 103 HE1 TYR 103 -13.116 23.125 18.263 857 HE2 TYR 103 HE2 TYR 103 -16.457 24.747 16.076 858 HH TYR 103 HH TYR 103 -15.287 22.815 18.848 859 H LEU 104 H LEU 104 -9.771 27.220 16.086 860 HA LEU 104 HA LEU 104 -10.484 27.286 18.827 861 HB2 LEU 104 HB2 LEU 104 -8.327 26.712 17.986 862 HB3 LEU 104 HB3 LEU 104 -8.112 28.231 17.179 863 HG LEU 104 HG LEU 104 -6.622 27.933 19.075 864 HD11 LEU 104 HD11 LEU 104 -8.523 30.174 19.913 865 HD12 LEU 104 HD12 LEU 104 -6.771 30.146 19.897 866 HD13 LEU 104 HD13 LEU 104 -7.657 30.270 18.364 867 HD21 LEU 104 HD21 LEU 104 -8.097 26.605 20.492 868 HD22 LEU 104 HD22 LEU 104 -7.431 27.978 21.373 869 HD23 LEU 104 HD23 LEU 104 -9.124 28.024 20.824 870 H LYS 105 H LYS 105 -10.119 29.900 16.473 871 HA LYS 105 HA LYS 105 -11.063 32.044 18.130 872 HB2 LYS 105 HB2 LYS 105 -9.581 32.094 16.096 873 HB3 LYS 105 HB3 LYS 105 -10.974 31.745 15.073 874 HG2 LYS 105 HG2 LYS 105 -10.668 34.082 14.938 875 HG3 LYS 105 HG3 LYS 105 -11.961 33.947 16.155 876 HD2 LYS 105 HD2 LYS 105 -10.123 33.985 17.934 877 HD3 LYS 105 HD3 LYS 105 -8.954 34.229 16.630 878 HE2 LYS 105 HE2 LYS 105 -9.454 36.338 17.748 879 HE3 LYS 105 HE3 LYS 105 -10.008 36.393 16.072 880 HZ1 LYS 105 HZ1 LYS 105 -11.750 35.943 18.445 881 HZ2 LYS 105 HZ2 LYS 105 -11.636 37.328 17.604 882 HZ3 LYS 105 HZ3 LYS 105 -12.275 36.016 16.893 883 H SER 106 H SER 106 -12.576 30.377 15.406 884 HA SER 106 HA SER 106 -14.998 31.776 15.489 885 HB2 SER 106 HB2 SER 106 -14.639 28.996 14.337 886 HB3 SER 106 HB3 SER 106 -15.869 30.187 13.892 887 HG SER 106 HG SER 106 -13.490 29.890 12.853 888 H SER 107 H SER 107 -14.185 29.065 17.555 889 HA SER 107 HA SER 107 -16.790 28.228 18.280 890 HB2 SER 107 HB2 SER 107 -14.696 27.109 19.016 891 HB3 SER 107 HB3 SER 107 -14.357 28.491 20.080 892 HG SER 107 HG SER 107 -16.351 26.523 20.265 893 H LYS 108 H LYS 108 -18.393 29.549 18.773 894 HA LYS 108 HA LYS 108 -18.114 32.202 19.884 895 HB2 LYS 108 HB2 LYS 108 -20.611 30.478 19.557 896 HB3 LYS 108 HB3 LYS 108 -20.588 32.216 19.821 897 HG2 LYS 108 HG2 LYS 108 -19.555 30.778 17.339 898 HG3 LYS 108 HG3 LYS 108 -21.058 31.677 17.491 899 HD2 LYS 108 HD2 LYS 108 -19.778 33.766 17.927 900 HD3 LYS 108 HD3 LYS 108 -18.257 32.866 17.694 901 HE2 LYS 108 HE2 LYS 108 -18.939 32.277 15.395 902 HE3 LYS 108 HE3 LYS 108 -20.488 33.092 15.618 903 HZ1 LYS 108 HZ1 LYS 108 -19.290 35.186 15.878 904 HZ2 LYS 108 HZ2 LYS 108 -17.850 34.443 15.689 905 HZ3 LYS 108 HZ3 LYS 108 -18.911 34.499 14.455 906 H SER 109 H SER 109 -18.144 29.228 21.499 907 HA SER 109 HA SER 109 -18.714 30.523 24.061 908 HB2 SER 109 HB2 SER 109 -20.225 28.724 24.745 909 HB3 SER 109 HB3 SER 109 -20.820 29.513 23.279 910 HG SER 109 HG SER 109 -19.530 27.005 23.544 911 H LEU 110 H LEU 110 -16.185 29.770 22.923 912 HA LEU 110 HA LEU 110 -15.126 27.540 24.380 913 HB2 LEU 110 HB2 LEU 110 -14.027 28.604 22.397 914 HB3 LEU 110 HB3 LEU 110 -13.724 30.051 23.366 915 HG LEU 110 HG LEU 110 -12.217 28.790 24.847 916 HD11 LEU 110 HD11 LEU 110 -13.044 26.405 23.145 917 HD12 LEU 110 HD12 LEU 110 -11.557 26.428 24.094 918 HD13 LEU 110 HD13 LEU 110 -13.097 26.568 24.923 919 HD21 LEU 110 HD21 LEU 110 -11.593 28.232 21.922 920 HD22 LEU 110 HD22 LEU 110 -11.314 29.773 22.758 921 HD23 LEU 110 HD23 LEU 110 -10.428 28.328 23.264 922 H ASP 111 H ASP 111 -14.302 27.484 26.440 923 HA ASP 111 HA ASP 111 -15.300 29.283 28.386 924 HB2 ASP 111 HB2 ASP 111 -13.035 27.286 28.685 925 HB3 ASP 111 HB3 ASP 111 -13.837 28.150 30.000 926 H LEU 112 H LEU 112 -14.511 30.944 29.434 927 HA LEU 112 HA LEU 112 -12.775 32.729 28.133 928 HB2 LEU 112 HB2 LEU 112 -13.597 32.580 31.065 929 HB3 LEU 112 HB3 LEU 112 -12.660 33.914 30.420 930 HG LEU 112 HG LEU 112 -15.361 33.131 29.241 931 HD11 LEU 112 HD11 LEU 112 -16.339 34.939 30.611 932 HD12 LEU 112 HD12 LEU 112 -15.653 33.662 31.636 933 HD13 LEU 112 HD13 LEU 112 -14.770 35.187 31.410 934 HD21 LEU 112 HD21 LEU 112 -15.359 35.464 28.428 935 HD22 LEU 112 HD22 LEU 112 -13.760 35.720 29.162 936 HD23 LEU 112 HD23 LEU 112 -13.961 34.575 27.814 937 H ASN 113 H ASN 113 -11.978 30.809 31.023 938 HA ASN 113 HA ASN 113 -9.352 31.794 31.198 939 HB2 ASN 113 HB2 ASN 113 -10.446 29.087 32.090 940 HB3 ASN 113 HB3 ASN 113 -8.907 29.757 32.630 941 HD21 ASN 113 HD21 ASN 113 -11.856 30.573 34.977 942 HD22 ASN 113 HD22 ASN 113 -11.563 29.095 34.064 943 H THR 114 H THR 114 -10.632 29.189 29.171 944 HA THR 114 HA THR 114 -8.054 28.074 28.356 945 HB THR 114 HB THR 114 -10.963 27.719 27.647 946 HG1 THR 114 HG1 THR 114 -9.992 26.581 29.346 947 HG21 THR 114 HG21 THR 114 -9.936 27.688 25.465 948 HG22 THR 114 HG22 THR 114 -8.672 26.563 26.033 949 HG23 THR 114 HG23 THR 114 -10.387 26.057 25.974 950 H ARG 115 H ARG 115 -10.522 30.232 26.828 951 HA ARG 115 HA ARG 115 -8.946 30.857 24.520 952 HB2 ARG 115 HB2 ARG 115 -11.312 31.324 24.605 953 HB3 ARG 115 HB3 ARG 115 -11.105 32.466 25.944 954 HG2 ARG 115 HG2 ARG 115 -10.031 34.085 24.605 955 HG3 ARG 115 HG3 ARG 115 -9.544 32.912 23.362 956 HD2 ARG 115 HD2 ARG 115 -12.438 33.462 23.941 957 HD3 ARG 115 HD3 ARG 115 -11.503 34.508 22.852 958 HE ARG 115 HE ARG 115 -10.902 32.080 21.804 959 HH11 ARG 115 HH11 ARG 115 -14.060 33.480 22.579 960 HH12 ARG 115 HH12 ARG 115 -14.860 32.492 21.378 961 HH21 ARG 115 HH21 ARG 115 -12.089 30.907 20.253 962 HH22 ARG 115 HH22 ARG 115 -13.803 31.237 20.096 963 H ILE 116 H ILE 116 -9.195 32.612 27.608 964 HA ILE 116 HA ILE 116 -7.289 34.609 27.200 965 HB ILE 116 HB ILE 116 -8.185 33.012 29.548 966 HG12 ILE 116 HG12 ILE 116 -8.060 36.018 28.977 967 HG13 ILE 116 HG13 ILE 116 -9.384 34.997 28.454 968 HG21 ILE 116 HG21 ILE 116 -5.890 33.136 30.110 969 HG22 ILE 116 HG22 ILE 116 -5.821 34.886 29.739 970 HG23 ILE 116 HG23 ILE 116 -6.766 34.278 31.121 971 HD11 ILE 116 HD11 ILE 116 -9.866 34.389 30.833 972 HD12 ILE 116 HD12 ILE 116 -8.626 35.560 31.347 973 HD13 ILE 116 HD13 ILE 116 -10.062 36.114 30.474 974 H SER 117 H SER 117 -6.679 31.235 27.865 975 HA SER 117 HA SER 117 -3.837 31.494 28.295 976 HB2 SER 117 HB2 SER 117 -5.496 28.990 27.826 977 HB3 SER 117 HB3 SER 117 -3.808 29.035 28.353 978 HG SER 117 HG SER 117 -6.111 29.985 29.727 979 H VAL 118 H VAL 118 -5.565 31.702 25.473 980 HA VAL 118 HA VAL 118 -3.140 31.154 23.850 981 HB VAL 118 HB VAL 118 -4.830 29.541 23.502 982 HG11 VAL 118 HG11 VAL 118 -6.812 31.714 22.737 983 HG12 VAL 118 HG12 VAL 118 -7.029 29.991 22.438 984 HG13 VAL 118 HG13 VAL 118 -6.855 30.548 24.098 985 HG21 VAL 118 HG21 VAL 118 -4.875 29.589 21.093 986 HG22 VAL 118 HG22 VAL 118 -4.843 31.366 21.069 987 HG23 VAL 118 HG23 VAL 118 -3.407 30.456 21.576 988 H ILE 119 H ILE 119 -5.999 33.377 24.199 989 HA ILE 119 HA ILE 119 -5.096 35.228 22.283 990 HB ILE 119 HB ILE 119 -7.385 34.752 23.635 991 HG12 ILE 119 HG12 ILE 119 -8.146 37.047 22.965 992 HG13 ILE 119 HG13 ILE 119 -6.477 37.362 22.449 993 HG21 ILE 119 HG21 ILE 119 -7.967 36.191 25.344 994 HG22 ILE 119 HG22 ILE 119 -6.343 35.657 25.787 995 HG23 ILE 119 HG23 ILE 119 -6.560 37.261 25.083 996 HD11 ILE 119 HD11 ILE 119 -7.964 36.637 20.568 997 HD12 ILE 119 HD12 ILE 119 -6.650 35.480 20.823 998 HD13 ILE 119 HD13 ILE 119 -8.283 35.113 21.421 999 H GLU 120 H GLU 120 -4.239 34.954 25.767 1000 HA GLU 120 HA GLU 120 -2.824 37.479 25.702 1001 HB2 GLU 120 HB2 GLU 120 -2.904 35.205 27.703 1002 HB3 GLU 120 HB3 GLU 120 -1.838 36.623 27.870 1003 HG2 GLU 120 HG2 GLU 120 -3.854 38.103 27.552 1004 HG3 GLU 120 HG3 GLU 120 -4.884 36.669 27.672 1005 H THR 121 H THR 121 -1.783 34.061 25.271 1006 HA THR 121 HA THR 121 0.991 34.712 24.953 1007 HB THR 121 HB THR 121 1.341 32.557 24.270 1008 HG1 THR 121 HG1 THR 121 -0.134 31.244 23.369 1009 HG21 THR 121 HG21 THR 121 0.244 32.616 26.537 1010 HG22 THR 121 HG22 THR 121 -1.295 32.205 25.730 1011 HG23 THR 121 HG23 THR 121 0.064 31.075 25.679 1012 H ILE 122 H ILE 122 -1.733 34.525 22.623 1013 HA ILE 122 HA ILE 122 -0.388 35.335 20.289 1014 HB ILE 122 HB ILE 122 -3.136 35.480 21.442 1015 HG12 ILE 122 HG12 ILE 122 -2.126 34.331 18.824 1016 HG13 ILE 122 HG13 ILE 122 -2.128 33.454 20.352 1017 HG21 ILE 122 HG21 ILE 122 -2.636 36.852 18.809 1018 HG22 ILE 122 HG22 ILE 122 -4.199 36.513 19.626 1019 HG23 ILE 122 HG23 ILE 122 -3.090 37.640 20.349 1020 HD11 ILE 122 HD11 ILE 122 -4.648 33.838 20.471 1021 HD12 ILE 122 HD12 ILE 122 -4.550 34.391 18.781 1022 HD13 ILE 122 HD13 ILE 122 -4.066 32.741 19.214 1023 H ARG 123 H ARG 123 -1.911 37.445 22.804 1024 HA ARG 123 HA ARG 123 -1.041 39.918 21.646 1025 HB2 ARG 123 HB2 ARG 123 -1.971 39.092 24.421 1026 HB3 ARG 123 HB3 ARG 123 -1.540 40.765 24.045 1027 HG2 ARG 123 HG2 ARG 123 -3.226 40.982 22.390 1028 HG3 ARG 123 HG3 ARG 123 -3.527 39.245 22.314 1029 HD2 ARG 123 HD2 ARG 123 -4.368 39.279 24.655 1030 HD3 ARG 123 HD3 ARG 123 -4.132 41.039 24.703 1031 HE ARG 123 HE ARG 123 -5.749 40.454 22.447 1032 HH11 ARG 123 HH11 ARG 123 -6.111 40.291 25.941 1033 HH12 ARG 123 HH12 ARG 123 -7.847 40.432 25.835 1034 HH21 ARG 123 HH21 ARG 123 -7.947 40.663 22.424 1035 HH22 ARG 123 HH22 ARG 123 -8.837 40.640 23.919 1036 H VAL 124 H VAL 124 0.635 37.822 23.936 1037 HA VAL 124 HA VAL 124 2.868 39.620 24.322 1038 HB VAL 124 HB VAL 124 2.450 36.672 24.918 1039 HG11 VAL 124 HG11 VAL 124 4.449 36.814 26.381 1040 HG12 VAL 124 HG12 VAL 124 4.869 36.961 24.677 1041 HG13 VAL 124 HG13 VAL 124 4.818 38.418 25.705 1042 HG21 VAL 124 HG21 VAL 124 2.651 39.060 26.809 1043 HG22 VAL 124 HG22 VAL 124 1.126 38.325 26.289 1044 HG23 VAL 124 HG23 VAL 124 2.263 37.375 27.231 1045 H VAL 125 H VAL 125 2.608 36.544 22.480 1046 HA VAL 125 HA VAL 125 5.316 36.870 21.491 1047 HB VAL 125 HB VAL 125 3.236 34.749 20.846 1048 HG11 VAL 125 HG11 VAL 125 5.183 33.340 20.227 1049 HG12 VAL 125 HG12 VAL 125 5.022 34.732 19.157 1050 HG13 VAL 125 HG13 VAL 125 6.253 34.746 20.436 1051 HG21 VAL 125 HG21 VAL 125 3.803 34.786 23.270 1052 HG22 VAL 125 HG22 VAL 125 4.487 33.364 22.484 1053 HG23 VAL 125 HG23 VAL 125 5.530 34.751 22.867 1054 H THR 126 H THR 126 2.100 37.417 19.993 1055 HA THR 126 HA THR 126 3.375 37.598 17.347 1056 HB THR 126 HB THR 126 1.233 38.047 16.403 1057 HG1 THR 126 HG1 THR 126 0.241 38.341 19.018 1058 HG21 THR 126 HG21 THR 126 -0.309 36.279 17.467 1059 HG22 THR 126 HG22 THR 126 1.235 35.706 16.852 1060 HG23 THR 126 HG23 THR 126 1.008 35.915 18.586 1061 H GLU 127 H GLU 127 3.501 39.730 19.811 1062 HA GLU 127 HA GLU 127 3.863 42.053 17.994 1063 HB2 GLU 127 HB2 GLU 127 4.300 41.690 20.982 1064 HB3 GLU 127 HB3 GLU 127 4.560 43.196 20.116 1065 HG2 GLU 127 HG2 GLU 127 1.887 41.733 20.376 1066 HG3 GLU 127 HG3 GLU 127 2.387 43.147 21.296 1067 H ASN 128 H ASN 128 5.667 39.273 18.775 1068 HA ASN 128 HA ASN 128 8.220 40.558 19.051 1069 HB2 ASN 128 HB2 ASN 128 7.539 37.629 18.753 1070 HB3 ASN 128 HB3 ASN 128 9.157 38.243 19.024 1071 HD21 ASN 128 HD21 ASN 128 7.784 37.322 22.332 1072 HD22 ASN 128 HD22 ASN 128 8.048 36.447 20.831 1073 H LYS 129 H LYS 129 8.051 41.863 17.098 1074 HA LYS 129 HA LYS 129 8.841 40.651 14.557 1075 HB2 LYS 129 HB2 LYS 129 8.766 43.487 15.616 1076 HB3 LYS 129 HB3 LYS 129 9.500 43.136 14.066 1077 HG2 LYS 129 HG2 LYS 129 6.619 42.568 14.849 1078 HG3 LYS 129 HG3 LYS 129 7.182 43.876 13.818 1079 HD2 LYS 129 HD2 LYS 129 7.013 40.918 13.227 1080 HD3 LYS 129 HD3 LYS 129 6.253 42.248 12.369 1081 HE2 LYS 129 HE2 LYS 129 9.252 41.580 12.345 1082 HE3 LYS 129 HE3 LYS 129 8.098 41.185 11.075 1083 HZ1 LYS 129 HZ1 LYS 129 8.767 43.976 11.860 1084 HZ2 LYS 129 HZ2 LYS 129 9.292 43.214 10.525 1085 HZ3 LYS 129 HZ3 LYS 129 7.714 43.550 10.699 1086 H ILE 130 H ILE 130 10.622 41.669 17.304 1087 HA ILE 130 HA ILE 130 13.215 41.113 16.026 1088 HB ILE 130 HB ILE 130 14.011 43.188 17.260 1089 HG12 ILE 130 HG12 ILE 130 11.019 43.792 17.549 1090 HG13 ILE 130 HG13 ILE 130 12.021 43.223 18.884 1091 HG21 ILE 130 HG21 ILE 130 11.772 43.726 15.283 1092 HG22 ILE 130 HG22 ILE 130 13.211 44.735 15.565 1093 HG23 ILE 130 HG23 ILE 130 13.386 43.142 14.812 1094 HD11 ILE 130 HD11 ILE 130 11.783 45.624 19.040 1095 HD12 ILE 130 HD12 ILE 130 13.471 45.224 18.675 1096 HD13 ILE 130 HD13 ILE 130 12.404 45.854 17.396 1097 H PHE 131 H PHE 131 14.976 40.641 17.468 1098 HA PHE 131 HA PHE 131 14.265 39.478 20.054 1099 HB2 PHE 131 HB2 PHE 131 15.820 38.307 18.594 1100 HB3 PHE 131 HB3 PHE 131 16.898 39.697 18.585 1101 HD1 PHE 131 HD1 PHE 131 18.844 39.352 19.862 1102 HD2 PHE 131 HD2 PHE 131 15.132 37.630 21.221 1103 HE1 PHE 131 HE1 PHE 131 20.007 38.395 21.828 1104 HE2 PHE 131 HE2 PHE 131 16.300 36.672 23.191 1105 HZ PHE 131 HZ PHE 131 18.738 37.052 23.498 1106 H VAL 132 H VAL 132 16.352 42.105 18.890 1107 HA VAL 132 HA VAL 132 15.646 43.794 21.153 1108 HB VAL 132 HB VAL 132 18.549 43.644 20.320 1109 HG11 VAL 132 HG11 VAL 132 17.196 44.780 22.798 1110 HG12 VAL 132 HG12 VAL 132 18.947 44.756 22.502 1111 HG13 VAL 132 HG13 VAL 132 17.907 45.722 21.464 1112 HG21 VAL 132 HG21 VAL 132 18.094 41.444 21.279 1113 HG22 VAL 132 HG22 VAL 132 19.088 42.402 22.384 1114 HG23 VAL 132 HG23 VAL 132 17.351 42.193 22.708 1115 H GLU 133 H GLU 133 15.967 46.080 20.611 1116 HA GLU 133 HA GLU 133 15.328 46.558 17.890 1117 HB2 GLU 133 HB2 GLU 133 14.800 48.827 18.570 1118 HB3 GLU 133 HB3 GLU 133 14.120 47.647 19.692 1119 HG2 GLU 133 HG2 GLU 133 15.902 48.037 21.292 1120 HG3 GLU 133 HG3 GLU 133 16.792 49.036 20.144 1121 H VAL 134 H VAL 134 18.024 45.727 18.096 1122 HA VAL 134 HA VAL 134 19.798 47.974 17.780 1123 HB VAL 134 HB VAL 134 21.570 46.247 17.482 1124 HG11 VAL 134 HG11 VAL 134 20.904 47.027 19.706 1125 HG12 VAL 134 HG12 VAL 134 19.694 45.733 19.813 1126 HG13 VAL 134 HG13 VAL 134 21.425 45.332 19.730 1127 HG21 VAL 134 HG21 VAL 134 21.015 43.874 17.721 1128 HG22 VAL 134 HG22 VAL 134 19.281 44.247 17.778 1129 HG23 VAL 134 HG23 VAL 134 20.207 44.542 16.292 1130 H GLU 135 H GLU 135 17.763 47.779 15.796 1131 HA GLU 135 HA GLU 135 19.444 48.275 13.464 1132 HB2 GLU 135 HB2 GLU 135 16.873 46.654 13.240 1133 HB3 GLU 135 HB3 GLU 135 17.876 47.203 11.886 1134 HG2 GLU 135 HG2 GLU 135 19.781 45.847 12.815 1135 HG3 GLU 135 HG3 GLU 135 18.665 45.168 14.006 1136 H ARG 136 H ARG 136 18.074 49.780 15.499 1137 HA ARG 136 HA ARG 136 16.059 51.452 14.159 1138 HB2 ARG 136 HB2 ARG 136 16.094 52.827 16.138 1139 HB3 ARG 136 HB3 ARG 136 15.929 51.130 16.561 1140 HG2 ARG 136 HG2 ARG 136 18.322 51.030 17.218 1141 HG3 ARG 136 HG3 ARG 136 18.532 52.730 16.781 1142 HD2 ARG 136 HD2 ARG 136 16.513 51.753 18.842 1143 HD3 ARG 136 HD3 ARG 136 18.168 52.243 19.252 1144 HE ARG 136 HE ARG 136 17.217 54.412 17.850 1145 HH11 ARG 136 HH11 ARG 136 15.949 52.783 20.733 1146 HH12 ARG 136 HH12 ARG 136 15.315 54.298 21.338 1147 HH21 ARG 136 HH21 ARG 136 16.349 56.213 18.712 1148 HH22 ARG 136 HH22 ARG 136 15.507 56.142 20.240 Start of MODEL 17 1 H1 MET 1 H1 MET 1 22.345 4.269 -6.789 2 H2 MET 1 H2 MET 1 21.954 5.865 -6.725 3 H3 MET 1 H3 MET 1 20.844 4.723 -6.342 4 HA MET 1 HA MET 1 20.364 5.598 -8.513 5 HB2 MET 1 HB2 MET 1 23.153 4.578 -9.221 6 HB3 MET 1 HB3 MET 1 21.942 5.133 -10.376 7 HG2 MET 1 HG2 MET 1 23.268 6.826 -8.227 8 HG3 MET 1 HG3 MET 1 23.550 6.880 -9.964 9 HE1 MET 1 HE1 MET 1 23.233 9.454 -10.098 10 HE2 MET 1 HE2 MET 1 21.857 10.334 -9.394 11 HE3 MET 1 HE3 MET 1 23.013 9.497 -8.334 12 H SER 2 H SER 2 19.623 4.227 -10.308 13 HA SER 2 HA SER 2 18.603 2.401 -11.134 14 HB2 SER 2 HB2 SER 2 21.177 1.011 -10.343 15 HB3 SER 2 HB3 SER 2 20.027 0.502 -11.597 16 HG SER 2 HG SER 2 21.752 1.669 -12.489 17 H ARG 3 H ARG 3 17.734 2.833 -8.469 18 HA ARG 3 HA ARG 3 17.587 0.383 -6.964 19 HB2 ARG 3 HB2 ARG 3 17.261 2.671 -6.013 20 HB3 ARG 3 HB3 ARG 3 15.771 2.842 -6.932 21 HG2 ARG 3 HG2 ARG 3 15.293 2.344 -4.611 22 HG3 ARG 3 HG3 ARG 3 14.732 1.018 -5.620 23 HD2 ARG 3 HD2 ARG 3 16.728 -0.319 -5.021 24 HD3 ARG 3 HD3 ARG 3 17.370 1.026 -4.075 25 HE ARG 3 HE ARG 3 15.166 -0.811 -3.359 26 HH11 ARG 3 HH11 ARG 3 14.827 0.445 -0.197 27 HH12 ARG 3 HH12 ARG 3 14.386 -0.824 -1.307 28 HH21 ARG 3 HH21 ARG 3 16.804 2.150 -2.400 29 HH22 ARG 3 HH22 ARG 3 16.138 2.065 -0.787 30 H ASP 4 H ASP 4 15.534 1.700 -9.486 31 HA ASP 4 HA ASP 4 13.744 0.961 -10.630 32 HB2 ASP 4 HB2 ASP 4 15.100 -1.730 -10.304 33 HB3 ASP 4 HB3 ASP 4 13.944 -1.286 -11.556 34 H ALA 5 H ALA 5 13.243 0.963 -7.690 35 HA ALA 5 HA ALA 5 11.138 -0.994 -7.274 36 HB1 ALA 5 HB1 ALA 5 11.727 1.675 -5.912 37 HB2 ALA 5 HB2 ALA 5 10.549 0.472 -5.359 38 HB3 ALA 5 HB3 ALA 5 12.279 0.070 -5.381 39 HA PRO 6 HA PRO 6 8.216 1.168 -9.871 40 HB2 PRO 6 HB2 PRO 6 5.858 -0.052 -9.231 41 HB3 PRO 6 HB3 PRO 6 7.195 -0.939 -10.026 42 HG2 PRO 6 HG2 PRO 6 6.492 -0.876 -7.079 43 HG3 PRO 6 HG3 PRO 6 6.863 -2.298 -8.098 44 HD2 PRO 6 HD2 PRO 6 8.714 -1.019 -6.492 45 HD3 PRO 6 HD3 PRO 6 9.157 -1.888 -7.996 46 H ILE 7 H ILE 7 6.067 2.453 -9.671 47 HA ILE 7 HA ILE 7 6.387 4.318 -7.508 48 HB ILE 7 HB ILE 7 4.278 4.384 -9.698 49 HG12 ILE 7 HG12 ILE 7 6.114 6.274 -10.447 50 HG13 ILE 7 HG13 ILE 7 7.204 5.096 -9.736 51 HG21 ILE 7 HG21 ILE 7 4.237 6.804 -9.211 52 HG22 ILE 7 HG22 ILE 7 3.819 5.891 -7.764 53 HG23 ILE 7 HG23 ILE 7 5.447 6.583 -7.931 54 HD11 ILE 7 HD11 ILE 7 5.168 4.593 -11.968 55 HD12 ILE 7 HD12 ILE 7 6.920 4.767 -12.172 56 HD13 ILE 7 HD13 ILE 7 6.272 3.363 -11.314 57 H LYS 8 H LYS 8 5.960 2.775 -5.825 58 HA LYS 8 HA LYS 8 3.342 1.656 -5.309 59 HB2 LYS 8 HB2 LYS 8 5.689 2.209 -3.435 60 HB3 LYS 8 HB3 LYS 8 4.275 1.238 -3.026 61 HG2 LYS 8 HG2 LYS 8 4.818 -0.341 -4.876 62 HG3 LYS 8 HG3 LYS 8 6.304 0.569 -5.203 63 HD2 LYS 8 HD2 LYS 8 5.624 -0.753 -2.534 64 HD3 LYS 8 HD3 LYS 8 6.626 -1.482 -3.798 65 HE2 LYS 8 HE2 LYS 8 8.241 0.413 -3.611 66 HE3 LYS 8 HE3 LYS 8 7.256 1.120 -2.323 67 HZ1 LYS 8 HZ1 LYS 8 9.080 -0.194 -1.424 68 HZ2 LYS 8 HZ2 LYS 8 7.672 -0.892 -1.010 69 HZ3 LYS 8 HZ3 LYS 8 8.579 -1.536 -2.195 70 H ALA 9 H ALA 9 4.569 4.837 -4.686 71 HA ALA 9 HA ALA 9 4.063 6.530 -3.299 72 HB1 ALA 9 HB1 ALA 9 2.198 6.729 -4.815 73 HB2 ALA 9 HB2 ALA 9 1.213 5.672 -3.758 74 HB3 ALA 9 HB3 ALA 9 1.809 7.238 -3.149 75 H ASP 10 H ASP 10 5.155 5.046 -1.848 76 HA ASP 10 HA ASP 10 3.984 3.676 0.339 77 HB2 ASP 10 HB2 ASP 10 6.352 3.592 -0.597 78 HB3 ASP 10 HB3 ASP 10 6.627 5.153 0.198 79 H LYS 11 H LYS 11 4.265 6.997 -0.213 80 HA LYS 11 HA LYS 11 3.953 8.963 0.874 81 HB2 LYS 11 HB2 LYS 11 2.354 7.165 2.677 82 HB3 LYS 11 HB3 LYS 11 2.646 8.810 3.172 83 HG2 LYS 11 HG2 LYS 11 1.274 9.723 1.575 84 HG3 LYS 11 HG3 LYS 11 1.712 8.522 0.347 85 HD2 LYS 11 HD2 LYS 11 0.229 6.887 1.369 86 HD3 LYS 11 HD3 LYS 11 -0.131 8.005 2.713 87 HE2 LYS 11 HE2 LYS 11 -1.274 9.550 1.296 88 HE3 LYS 11 HE3 LYS 11 -0.558 8.868 -0.163 89 HZ1 LYS 11 HZ1 LYS 11 -2.877 8.182 0.078 90 HZ2 LYS 11 HZ2 LYS 11 -1.901 6.895 0.087 91 HZ3 LYS 11 HZ3 LYS 11 -2.563 7.408 1.480 92 H ASP 12 H ASP 12 5.565 10.062 1.422 93 HA ASP 12 HA ASP 12 7.546 9.371 3.464 94 HB2 ASP 12 HB2 ASP 12 7.014 11.986 1.994 95 HB3 ASP 12 HB3 ASP 12 8.410 11.644 3.010 96 H TYR 13 H TYR 13 8.003 11.253 5.194 97 HA TYR 13 HA TYR 13 6.085 10.824 7.101 98 HB2 TYR 13 HB2 TYR 13 8.178 12.949 7.167 99 HB3 TYR 13 HB3 TYR 13 7.306 12.252 8.549 100 HD1 TYR 13 HD1 TYR 13 10.152 11.921 6.344 101 HD2 TYR 13 HD2 TYR 13 7.487 9.697 8.916 102 HE1 TYR 13 HE1 TYR 13 11.765 10.022 6.385 103 HE2 TYR 13 HE2 TYR 13 9.103 7.806 8.957 104 HH TYR 13 HH TYR 13 11.096 7.018 8.202 105 H SER 14 H SER 14 6.352 14.036 5.499 106 HA SER 14 HA SER 14 3.918 15.058 6.556 107 HB2 SER 14 HB2 SER 14 4.156 16.769 4.786 108 HB3 SER 14 HB3 SER 14 5.753 16.408 5.468 109 HG SER 14 HG SER 14 5.824 16.450 3.203 110 H GLN 15 H GLN 15 4.258 12.625 4.314 111 HA GLN 15 HA GLN 15 1.617 12.996 3.056 112 HB2 GLN 15 HB2 GLN 15 3.591 10.887 2.320 113 HB3 GLN 15 HB3 GLN 15 2.243 11.556 1.390 114 HG2 GLN 15 HG2 GLN 15 3.429 13.719 1.219 115 HG3 GLN 15 HG3 GLN 15 4.842 13.002 2.005 116 HE21 GLN 15 HE21 GLN 15 4.714 12.659 -1.896 117 HE22 GLN 15 HE22 GLN 15 3.979 13.940 -0.935 118 H ILE 16 H ILE 16 3.225 11.131 5.555 119 HA ILE 16 HA ILE 16 1.362 9.063 6.069 120 HB ILE 16 HB ILE 16 2.584 11.038 8.062 121 HG12 ILE 16 HG12 ILE 16 4.277 10.050 6.752 122 HG13 ILE 16 HG13 ILE 16 4.391 9.515 8.421 123 HG21 ILE 16 HG21 ILE 16 1.298 8.375 8.599 124 HG22 ILE 16 HG22 ILE 16 2.380 9.202 9.746 125 HG23 ILE 16 HG23 ILE 16 0.878 9.984 9.261 126 HD11 ILE 16 HD11 ILE 16 3.443 7.945 5.993 127 HD12 ILE 16 HD12 ILE 16 4.966 7.752 6.875 128 HD13 ILE 16 HD13 ILE 16 3.431 7.308 7.669 129 H LEU 17 H LEU 17 1.247 12.515 6.757 130 HA LEU 17 HA LEU 17 -1.149 12.577 8.260 131 HB2 LEU 17 HB2 LEU 17 -0.187 14.718 6.405 132 HB3 LEU 17 HB3 LEU 17 -0.977 14.891 7.989 133 HG LEU 17 HG LEU 17 1.919 14.112 7.432 134 HD11 LEU 17 HD11 LEU 17 1.430 16.436 7.031 135 HD12 LEU 17 HD12 LEU 17 0.693 16.610 8.638 136 HD13 LEU 17 HD13 LEU 17 2.428 16.253 8.477 137 HD21 LEU 17 HD21 LEU 17 1.489 12.953 9.407 138 HD22 LEU 17 HD22 LEU 17 2.186 14.463 9.964 139 HD23 LEU 17 HD23 LEU 17 0.437 14.232 10.079 140 H LYS 18 H LYS 18 -0.782 11.969 4.859 141 HA LYS 18 HA LYS 18 -3.397 12.840 3.941 142 HB2 LYS 18 HB2 LYS 18 -1.539 10.791 2.756 143 HB3 LYS 18 HB3 LYS 18 -2.870 11.558 1.925 144 HG2 LYS 18 HG2 LYS 18 -0.666 13.338 2.957 145 HG3 LYS 18 HG3 LYS 18 -0.307 12.252 1.612 146 HD2 LYS 18 HD2 LYS 18 -0.925 14.424 0.752 147 HD3 LYS 18 HD3 LYS 18 -2.165 13.254 0.305 148 HE2 LYS 18 HE2 LYS 18 -3.616 14.073 2.157 149 HE3 LYS 18 HE3 LYS 18 -2.350 15.204 2.656 150 HZ1 LYS 18 HZ1 LYS 18 -3.747 15.270 0.037 151 HZ2 LYS 18 HZ2 LYS 18 -3.996 16.300 1.273 152 HZ3 LYS 18 HZ3 LYS 18 -2.572 16.304 0.496 153 H GLU 19 H GLU 19 -2.003 9.970 5.407 154 HA GLU 19 HA GLU 19 -4.413 8.378 4.723 155 HB2 GLU 19 HB2 GLU 19 -3.105 6.437 4.679 156 HB3 GLU 19 HB3 GLU 19 -2.281 7.663 3.713 157 HG2 GLU 19 HG2 GLU 19 -0.647 8.032 5.484 158 HG3 GLU 19 HG3 GLU 19 -1.542 6.987 6.594 159 H GLU 20 H GLU 20 -2.305 9.224 7.466 160 HA GLU 20 HA GLU 20 -3.801 7.643 9.390 161 HB2 GLU 20 HB2 GLU 20 -1.955 10.055 9.618 162 HB3 GLU 20 HB3 GLU 20 -2.739 9.338 11.024 163 HG2 GLU 20 HG2 GLU 20 -0.908 7.859 9.088 164 HG3 GLU 20 HG3 GLU 20 -0.427 8.504 10.663 165 H PHE 21 H PHE 21 -4.377 10.830 7.918 166 HA PHE 21 HA PHE 21 -6.262 11.754 9.868 167 HB2 PHE 21 HB2 PHE 21 -5.496 13.369 8.401 168 HB3 PHE 21 HB3 PHE 21 -5.796 12.405 6.977 169 HD1 PHE 21 HD1 PHE 21 -7.332 13.536 5.619 170 HD2 PHE 21 HD2 PHE 21 -8.046 13.389 9.876 171 HE1 PHE 21 HE1 PHE 21 -9.513 14.673 5.299 172 HE2 PHE 21 HE2 PHE 21 -10.219 14.535 9.545 173 HZ PHE 21 HZ PHE 21 -10.958 15.174 7.260 174 HA PRO 22 HA PRO 22 -9.714 9.293 7.451 175 HB2 PRO 22 HB2 PRO 22 -7.823 7.233 6.313 176 HB3 PRO 22 HB3 PRO 22 -9.463 7.701 5.751 177 HG2 PRO 22 HG2 PRO 22 -7.242 8.705 4.525 178 HG3 PRO 22 HG3 PRO 22 -8.651 9.767 4.869 179 HD2 PRO 22 HD2 PRO 22 -6.036 9.580 6.327 180 HD3 PRO 22 HD3 PRO 22 -7.072 10.988 5.985 181 H LYS 23 H LYS 23 -6.805 7.699 8.947 182 HA LYS 23 HA LYS 23 -8.317 5.575 10.175 183 HB2 LYS 23 HB2 LYS 23 -5.700 6.814 11.115 184 HB3 LYS 23 HB3 LYS 23 -6.387 5.308 11.683 185 HG2 LYS 23 HG2 LYS 23 -5.567 5.815 8.802 186 HG3 LYS 23 HG3 LYS 23 -4.552 5.034 10.017 187 HD2 LYS 23 HD2 LYS 23 -6.254 3.226 10.253 188 HD3 LYS 23 HD3 LYS 23 -7.227 3.998 8.979 189 HE2 LYS 23 HE2 LYS 23 -5.334 3.775 7.392 190 HE3 LYS 23 HE3 LYS 23 -4.357 3.010 8.650 191 HZ1 LYS 23 HZ1 LYS 23 -6.882 1.901 7.555 192 HZ2 LYS 23 HZ2 LYS 23 -5.389 1.366 7.204 193 HZ3 LYS 23 HZ3 LYS 23 -5.972 1.196 8.715 194 H ILE 24 H ILE 24 -7.600 8.897 11.169 195 HA ILE 24 HA ILE 24 -9.018 8.538 13.726 196 HB ILE 24 HB ILE 24 -8.160 10.375 14.497 197 HG12 ILE 24 HG12 ILE 24 -7.823 12.028 11.980 198 HG13 ILE 24 HG13 ILE 24 -9.399 11.973 12.731 199 HG21 ILE 24 HG21 ILE 24 -5.906 10.856 13.681 200 HG22 ILE 24 HG22 ILE 24 -6.231 9.139 13.371 201 HG23 ILE 24 HG23 ILE 24 -6.391 10.336 12.063 202 HD11 ILE 24 HD11 ILE 24 -7.017 12.636 14.457 203 HD12 ILE 24 HD12 ILE 24 -7.857 13.845 13.444 204 HD13 ILE 24 HD13 ILE 24 -8.761 12.976 14.681 205 H ASP 25 H ASP 25 -9.798 9.613 10.514 206 HA ASP 25 HA ASP 25 -11.805 11.467 11.117 207 HB2 ASP 25 HB2 ASP 25 -10.649 11.055 8.975 208 HB3 ASP 25 HB3 ASP 25 -11.584 9.571 8.759 209 H SER 26 H SER 26 -12.025 7.982 11.111 210 HA SER 26 HA SER 26 -14.918 7.786 11.514 211 HB2 SER 26 HB2 SER 26 -13.542 5.919 10.668 212 HB3 SER 26 HB3 SER 26 -12.649 5.878 12.195 213 HG SER 26 HG SER 26 -15.375 5.257 11.720 214 H LEU 27 H LEU 27 -12.134 8.291 13.644 215 HA LEU 27 HA LEU 27 -13.558 7.756 16.116 216 HB2 LEU 27 HB2 LEU 27 -11.317 6.996 16.006 217 HB3 LEU 27 HB3 LEU 27 -10.742 8.517 15.340 218 HG LEU 27 HG LEU 27 -11.243 9.659 17.473 219 HD11 LEU 27 HD11 LEU 27 -11.693 6.822 18.522 220 HD12 LEU 27 HD12 LEU 27 -11.576 8.295 19.511 221 HD13 LEU 27 HD13 LEU 27 -12.933 8.090 18.403 222 HD21 LEU 27 HD21 LEU 27 -9.368 7.255 17.709 223 HD22 LEU 27 HD22 LEU 27 -8.973 8.789 16.908 224 HD23 LEU 27 HD23 LEU 27 -9.277 8.762 18.647 225 H ALA 28 H ALA 28 -11.957 10.669 14.741 226 HA ALA 28 HA ALA 28 -12.590 12.535 16.686 227 HB1 ALA 28 HB1 ALA 28 -12.449 13.002 13.672 228 HB2 ALA 28 HB2 ALA 28 -12.159 14.213 14.941 229 HB3 ALA 28 HB3 ALA 28 -11.047 12.853 14.738 230 H GLN 29 H GLN 29 -14.663 11.409 14.140 231 HA GLN 29 HA GLN 29 -16.851 13.245 14.548 232 HB2 GLN 29 HB2 GLN 29 -16.721 10.478 13.307 233 HB3 GLN 29 HB3 GLN 29 -18.179 11.464 13.290 234 HG2 GLN 29 HG2 GLN 29 -15.521 12.357 12.083 235 HG3 GLN 29 HG3 GLN 29 -16.817 11.586 11.183 236 HE21 GLN 29 HE21 GLN 29 -17.214 15.216 10.611 237 HE22 GLN 29 HE22 GLN 29 -16.019 13.977 10.225 238 H ASN 30 H ASN 30 -15.760 10.914 16.693 239 HA ASN 30 HA ASN 30 -18.361 10.635 18.069 240 HB2 ASN 30 HB2 ASN 30 -16.303 8.495 17.374 241 HB3 ASN 30 HB3 ASN 30 -17.598 8.253 18.543 242 HD21 ASN 30 HD21 ASN 30 -18.477 7.786 14.665 243 HD22 ASN 30 HD22 ASN 30 -16.818 8.027 15.183 244 H ASP 31 H ASP 31 -14.803 10.527 18.433 245 HA ASP 31 HA ASP 31 -14.992 11.717 21.123 246 HB2 ASP 31 HB2 ASP 31 -15.085 9.298 21.561 247 HB3 ASP 31 HB3 ASP 31 -13.620 9.047 20.609 248 H CYS 32 H CYS 32 -14.170 13.468 19.615 249 HA CYS 32 HA CYS 32 -11.613 13.192 18.413 250 HB2 CYS 32 HB2 CYS 32 -13.402 14.916 17.846 251 HB3 CYS 32 HB3 CYS 32 -12.872 15.823 19.277 252 HG CYS 32 HG CYS 32 -10.298 15.818 18.525 253 H ASN 33 H ASN 33 -12.336 13.688 21.745 254 HA ASN 33 HA ASN 33 -9.918 14.923 22.617 255 HB2 ASN 33 HB2 ASN 33 -11.983 14.666 23.984 256 HB3 ASN 33 HB3 ASN 33 -11.715 12.920 24.043 257 HD21 ASN 33 HD21 ASN 33 -9.484 15.381 26.425 258 HD22 ASN 33 HD22 ASN 33 -10.455 16.070 25.130 259 H SER 34 H SER 34 -10.639 11.572 21.696 260 HA SER 34 HA SER 34 -7.895 10.651 22.323 261 HB2 SER 34 HB2 SER 34 -10.194 9.315 20.854 262 HB3 SER 34 HB3 SER 34 -8.631 8.563 21.214 263 HG SER 34 HG SER 34 -10.816 9.060 22.853 264 H ALA 35 H ALA 35 -9.845 11.663 19.512 265 HA ALA 35 HA ALA 35 -8.047 10.726 17.519 266 HB1 ALA 35 HB1 ALA 35 -10.612 11.604 17.555 267 HB2 ALA 35 HB2 ALA 35 -9.834 13.060 16.942 268 HB3 ALA 35 HB3 ALA 35 -9.646 11.505 16.082 269 H LEU 36 H LEU 36 -8.287 13.981 19.027 270 HA LEU 36 HA LEU 36 -6.365 15.214 17.386 271 HB2 LEU 36 HB2 LEU 36 -6.345 16.936 19.072 272 HB3 LEU 36 HB3 LEU 36 -7.949 16.265 19.017 273 HG LEU 36 HG LEU 36 -7.067 14.789 21.062 274 HD11 LEU 36 HD11 LEU 36 -4.707 15.702 20.998 275 HD12 LEU 36 HD12 LEU 36 -5.365 17.322 21.267 276 HD13 LEU 36 HD13 LEU 36 -5.537 16.070 22.512 277 HD21 LEU 36 HD21 LEU 36 -8.920 16.452 21.127 278 HD22 LEU 36 HD22 LEU 36 -7.942 16.465 22.603 279 HD23 LEU 36 HD23 LEU 36 -7.728 17.738 21.383 280 H ASP 37 H ASP 37 -5.966 13.116 20.135 281 HA ASP 37 HA ASP 37 -3.082 13.257 20.264 282 HB2 ASP 37 HB2 ASP 37 -4.862 12.630 22.105 283 HB3 ASP 37 HB3 ASP 37 -4.774 11.016 21.385 284 H GLN 38 H GLN 38 -4.856 12.034 17.798 285 HA GLN 38 HA GLN 38 -2.820 9.990 17.199 286 HB2 GLN 38 HB2 GLN 38 -5.546 10.535 15.941 287 HB3 GLN 38 HB3 GLN 38 -4.399 9.366 15.301 288 HG2 GLN 38 HG2 GLN 38 -5.524 9.271 18.129 289 HG3 GLN 38 HG3 GLN 38 -6.229 8.421 16.762 290 HE21 GLN 38 HE21 GLN 38 -4.075 5.971 18.534 291 HE22 GLN 38 HE22 GLN 38 -5.510 6.906 18.939 292 H LEU 39 H LEU 39 -4.290 12.959 15.660 293 HA LEU 39 HA LEU 39 -2.094 12.908 13.740 294 HB2 LEU 39 HB2 LEU 39 -4.134 15.085 14.121 295 HB3 LEU 39 HB3 LEU 39 -2.983 14.944 12.797 296 HG LEU 39 HG LEU 39 -5.270 13.088 13.435 297 HD11 LEU 39 HD11 LEU 39 -6.163 13.795 11.266 298 HD12 LEU 39 HD12 LEU 39 -5.872 15.205 12.288 299 HD13 LEU 39 HD13 LEU 39 -4.731 14.811 10.981 300 HD21 LEU 39 HD21 LEU 39 -3.183 12.828 11.214 301 HD22 LEU 39 HD22 LEU 39 -3.452 11.683 12.552 302 HD23 LEU 39 HD23 LEU 39 -4.676 11.874 11.323 303 H LEU 40 H LEU 40 -2.698 14.855 16.726 304 HA LEU 40 HA LEU 40 -0.452 16.643 16.118 305 HB2 LEU 40 HB2 LEU 40 -1.941 16.156 18.707 306 HB3 LEU 40 HB3 LEU 40 -0.686 17.342 18.518 307 HG LEU 40 HG LEU 40 -2.167 18.981 17.803 308 HD11 LEU 40 HD11 LEU 40 -3.691 18.810 16.023 309 HD12 LEU 40 HD12 LEU 40 -2.215 18.008 15.494 310 HD13 LEU 40 HD13 LEU 40 -3.612 17.035 16.006 311 HD21 LEU 40 HD21 LEU 40 -4.250 16.935 18.402 312 HD22 LEU 40 HD22 LEU 40 -3.344 17.844 19.619 313 HD23 LEU 40 HD23 LEU 40 -4.367 18.701 18.466 314 H VAL 41 H VAL 41 -0.720 13.455 17.365 315 HA VAL 41 HA VAL 41 1.861 13.187 18.618 316 HB VAL 41 HB VAL 41 -0.163 11.311 17.409 317 HG11 VAL 41 HG11 VAL 41 1.919 10.182 16.774 318 HG12 VAL 41 HG12 VAL 41 2.596 10.439 18.402 319 HG13 VAL 41 HG13 VAL 41 1.211 9.352 18.156 320 HG21 VAL 41 HG21 VAL 41 -0.112 10.455 19.774 321 HG22 VAL 41 HG22 VAL 41 1.192 11.582 20.156 322 HG23 VAL 41 HG23 VAL 41 -0.420 12.201 19.735 323 H LEU 42 H LEU 42 0.810 13.124 15.239 324 HA LEU 42 HA LEU 42 3.351 12.318 14.158 325 HB2 LEU 42 HB2 LEU 42 1.160 14.021 12.956 326 HB3 LEU 42 HB3 LEU 42 2.496 13.326 12.061 327 HG LEU 42 HG LEU 42 0.606 11.550 13.670 328 HD11 LEU 42 HD11 LEU 42 0.167 11.916 10.718 329 HD12 LEU 42 HD12 LEU 42 -0.857 11.176 11.937 330 HD13 LEU 42 HD13 LEU 42 -0.668 12.939 11.909 331 HD21 LEU 42 HD21 LEU 42 2.746 10.562 12.912 332 HD22 LEU 42 HD22 LEU 42 1.414 9.868 11.973 333 HD23 LEU 42 HD23 LEU 42 2.455 11.137 11.266 334 H GLU 43 H GLU 43 1.906 15.595 14.423 335 HA GLU 43 HA GLU 43 4.145 17.217 14.028 336 HB2 GLU 43 HB2 GLU 43 2.222 18.357 14.424 337 HB3 GLU 43 HB3 GLU 43 1.739 17.430 15.811 338 HG2 GLU 43 HG2 GLU 43 4.149 19.266 15.973 339 HG3 GLU 43 HG3 GLU 43 2.570 19.985 15.905 340 H LYS 44 H LYS 44 3.438 15.468 17.048 341 HA LYS 44 HA LYS 44 5.785 16.343 18.464 342 HB2 LYS 44 HB2 LYS 44 3.763 15.422 19.529 343 HB3 LYS 44 HB3 LYS 44 4.089 13.846 18.820 344 HG2 LYS 44 HG2 LYS 44 6.201 13.667 20.099 345 HG3 LYS 44 HG3 LYS 44 5.942 15.289 20.770 346 HD2 LYS 44 HD2 LYS 44 3.854 14.506 21.866 347 HD3 LYS 44 HD3 LYS 44 4.099 12.887 21.171 348 HE2 LYS 44 HE2 LYS 44 6.268 12.703 22.377 349 HE3 LYS 44 HE3 LYS 44 6.018 14.309 23.079 350 HZ1 LYS 44 HZ1 LYS 44 4.268 11.959 23.544 351 HZ2 LYS 44 HZ2 LYS 44 5.339 12.571 24.606 352 HZ3 LYS 44 HZ3 LYS 44 4.032 13.441 24.185 353 H LYS 45 H LYS 45 5.203 13.254 16.775 354 HA LYS 45 HA LYS 45 7.806 12.157 17.155 355 HB2 LYS 45 HB2 LYS 45 5.745 10.921 16.431 356 HB3 LYS 45 HB3 LYS 45 5.807 11.746 14.871 357 HG2 LYS 45 HG2 LYS 45 8.016 10.689 14.397 358 HG3 LYS 45 HG3 LYS 45 7.964 9.891 15.984 359 HD2 LYS 45 HD2 LYS 45 5.896 8.672 15.294 360 HD3 LYS 45 HD3 LYS 45 5.925 9.526 13.745 361 HE2 LYS 45 HE2 LYS 45 6.819 7.347 13.359 362 HE3 LYS 45 HE3 LYS 45 8.150 8.496 13.231 363 HZ1 LYS 45 HZ1 LYS 45 8.817 7.844 15.497 364 HZ2 LYS 45 HZ2 LYS 45 7.560 6.810 15.609 365 HZ3 LYS 45 HZ3 LYS 45 8.750 6.533 14.537 366 H THR 46 H THR 46 6.545 14.123 14.504 367 HA THR 46 HA THR 46 8.823 14.088 12.802 368 HB THR 46 HB THR 46 7.788 16.105 11.784 369 HG1 THR 46 HG1 THR 46 5.708 15.538 13.585 370 HG21 THR 46 HG21 THR 46 6.136 13.589 12.268 371 HG22 THR 46 HG22 THR 46 5.608 14.922 11.230 372 HG23 THR 46 HG23 THR 46 7.125 14.041 10.866 373 H ARG 47 H ARG 47 7.978 16.579 15.276 374 HA ARG 47 HA ARG 47 10.415 18.098 14.748 375 HB2 ARG 47 HB2 ARG 47 9.959 19.339 16.830 376 HB3 ARG 47 HB3 ARG 47 8.516 19.198 15.827 377 HG2 ARG 47 HG2 ARG 47 7.740 17.330 17.281 378 HG3 ARG 47 HG3 ARG 47 9.154 17.549 18.327 379 HD2 ARG 47 HD2 ARG 47 8.429 19.713 19.014 380 HD3 ARG 47 HD3 ARG 47 7.346 19.850 17.629 381 HE ARG 47 HE ARG 47 5.693 18.621 18.632 382 HH11 ARG 47 HH11 ARG 47 8.372 18.723 20.916 383 HH12 ARG 47 HH12 ARG 47 7.320 18.196 22.206 384 HH21 ARG 47 HH21 ARG 47 4.531 18.129 20.207 385 HH22 ARG 47 HH22 ARG 47 5.158 17.901 21.843 386 H GLN 48 H GLN 48 9.741 15.391 16.936 387 HA GLN 48 HA GLN 48 12.298 15.553 18.253 388 HB2 GLN 48 HB2 GLN 48 10.203 13.358 18.136 389 HB3 GLN 48 HB3 GLN 48 11.665 13.272 19.123 390 HG2 GLN 48 HG2 GLN 48 9.516 15.410 19.339 391 HG3 GLN 48 HG3 GLN 48 9.690 14.037 20.425 392 HE21 GLN 48 HE21 GLN 48 11.226 17.186 21.891 393 HE22 GLN 48 HE22 GLN 48 9.639 16.806 21.233 394 H ALA 49 H ALA 49 11.085 13.678 15.484 395 HA ALA 49 HA ALA 49 13.465 12.110 15.141 396 HB1 ALA 49 HB1 ALA 49 11.161 11.331 14.691 397 HB2 ALA 49 HB2 ALA 49 10.977 12.574 13.436 398 HB3 ALA 49 HB3 ALA 49 12.150 11.249 13.220 399 H SER 50 H SER 50 12.913 15.321 14.311 400 HA SER 50 HA SER 50 13.627 16.799 12.807 401 HB2 SER 50 HB2 SER 50 15.885 14.902 12.115 402 HB3 SER 50 HB3 SER 50 15.774 16.621 11.705 403 HG SER 50 HG SER 50 17.002 16.227 13.610 404 H ASP 51 H ASP 51 11.654 14.912 12.088 405 HA ASP 51 HA ASP 51 11.673 15.018 9.097 406 HB2 ASP 51 HB2 ASP 51 9.840 13.530 11.011 407 HB3 ASP 51 HB3 ASP 51 9.689 13.537 9.256 408 H LEU 52 H LEU 52 11.546 17.237 10.908 409 HA LEU 52 HA LEU 52 9.109 18.154 11.674 410 HB2 LEU 52 HB2 LEU 52 10.141 20.210 12.091 411 HB3 LEU 52 HB3 LEU 52 11.232 18.885 12.526 412 HG LEU 52 HG LEU 52 11.443 20.684 10.060 413 HD11 LEU 52 HD11 LEU 52 11.960 21.787 12.180 414 HD12 LEU 52 HD12 LEU 52 13.102 20.499 12.607 415 HD13 LEU 52 HD13 LEU 52 13.432 21.576 11.221 416 HD21 LEU 52 HD21 LEU 52 12.418 18.557 9.492 417 HD22 LEU 52 HD22 LEU 52 13.741 19.668 9.853 418 HD23 LEU 52 HD23 LEU 52 13.246 18.460 11.066 419 H ALA 53 H ALA 53 10.452 18.585 8.494 420 HA ALA 53 HA ALA 53 8.773 20.643 7.458 421 HB1 ALA 53 HB1 ALA 53 10.657 19.591 6.230 422 HB2 ALA 53 HB2 ALA 53 9.731 18.072 6.121 423 HB3 ALA 53 HB3 ALA 53 9.161 19.526 5.280 424 H SER 54 H SER 54 8.003 17.432 8.452 425 HA SER 54 HA SER 54 5.237 17.288 7.340 426 HB2 SER 54 HB2 SER 54 6.397 15.472 9.420 427 HB3 SER 54 HB3 SER 54 5.280 15.072 8.126 428 HG SER 54 HG SER 54 8.064 15.395 8.148 429 H SER 55 H SER 55 6.886 17.642 10.577 430 HA SER 55 HA SER 55 4.682 18.145 12.205 431 HB2 SER 55 HB2 SER 55 7.285 18.303 12.755 432 HB3 SER 55 HB3 SER 55 7.079 19.994 12.366 433 HG SER 55 HG SER 55 6.022 18.504 14.486 434 H LYS 56 H LYS 56 6.382 20.509 10.185 435 HA LYS 56 HA LYS 56 4.599 22.716 10.642 436 HB2 LYS 56 HB2 LYS 56 6.601 22.265 8.406 437 HB3 LYS 56 HB3 LYS 56 5.762 23.785 8.738 438 HG2 LYS 56 HG2 LYS 56 6.779 23.759 11.075 439 HG3 LYS 56 HG3 LYS 56 7.723 22.357 10.580 440 HD2 LYS 56 HD2 LYS 56 9.211 24.121 10.283 441 HD3 LYS 56 HD3 LYS 56 8.612 23.838 8.641 442 HE2 LYS 56 HE2 LYS 56 6.968 25.723 8.962 443 HE3 LYS 56 HE3 LYS 56 7.604 25.974 10.590 444 HZ1 LYS 56 HZ1 LYS 56 9.803 26.467 9.509 445 HZ2 LYS 56 HZ2 LYS 56 9.080 26.402 8.050 446 HZ3 LYS 56 HZ3 LYS 56 8.639 27.539 9.147 447 H GLU 57 H GLU 57 3.901 19.950 8.961 448 HA GLU 57 HA GLU 57 1.883 21.220 7.154 449 HB2 GLU 57 HB2 GLU 57 3.619 19.682 6.193 450 HB3 GLU 57 HB3 GLU 57 3.029 18.422 7.253 451 HG2 GLU 57 HG2 GLU 57 2.137 17.957 5.224 452 HG3 GLU 57 HG3 GLU 57 0.791 18.600 6.184 453 H VAL 58 H VAL 58 2.310 19.041 9.945 454 HA VAL 58 HA VAL 58 -0.531 18.566 10.405 455 HB VAL 58 HB VAL 58 1.714 18.635 12.425 456 HG11 VAL 58 HG11 VAL 58 -0.564 18.546 13.451 457 HG12 VAL 58 HG12 VAL 58 -0.949 17.123 12.468 458 HG13 VAL 58 HG13 VAL 58 0.304 17.043 13.717 459 HG21 VAL 58 HG21 VAL 58 1.939 16.214 12.193 460 HG22 VAL 58 HG22 VAL 58 0.723 16.237 10.904 461 HG23 VAL 58 HG23 VAL 58 2.306 17.022 10.683 462 H LEU 59 H LEU 59 1.806 20.974 11.453 463 HA LEU 59 HA LEU 59 0.404 22.283 13.415 464 HB2 LEU 59 HB2 LEU 59 2.469 23.042 11.417 465 HB3 LEU 59 HB3 LEU 59 1.786 24.335 12.402 466 HG LEU 59 HG LEU 59 2.830 21.797 13.715 467 HD11 LEU 59 HD11 LEU 59 4.431 24.062 12.573 468 HD12 LEU 59 HD12 LEU 59 4.871 23.482 14.182 469 HD13 LEU 59 HD13 LEU 59 4.848 22.357 12.828 470 HD21 LEU 59 HD21 LEU 59 1.396 23.349 14.997 471 HD22 LEU 59 HD22 LEU 59 3.037 23.272 15.632 472 HD23 LEU 59 HD23 LEU 59 2.538 24.674 14.672 473 H ALA 60 H ALA 60 -0.205 22.627 9.986 474 HA ALA 60 HA ALA 60 -2.030 24.836 10.247 475 HB1 ALA 60 HB1 ALA 60 -0.767 24.283 8.157 476 HB2 ALA 60 HB2 ALA 60 -1.613 22.724 8.054 477 HB3 ALA 60 HB3 ALA 60 -2.516 24.244 7.842 478 H LYS 61 H LYS 61 -2.510 21.723 11.309 479 HA LYS 61 HA LYS 61 -5.319 22.462 11.667 480 HB2 LYS 61 HB2 LYS 61 -6.258 20.772 10.808 481 HB3 LYS 61 HB3 LYS 61 -4.746 20.557 9.935 482 HG2 LYS 61 HG2 LYS 61 -5.515 19.004 12.448 483 HG3 LYS 61 HG3 LYS 61 -5.873 18.487 10.815 484 HD2 LYS 61 HD2 LYS 61 -3.119 18.853 11.981 485 HD3 LYS 61 HD3 LYS 61 -3.920 17.325 11.654 486 HE2 LYS 61 HE2 LYS 61 -3.034 19.400 9.598 487 HE3 LYS 61 HE3 LYS 61 -2.265 17.839 9.897 488 HZ1 LYS 61 HZ1 LYS 61 -5.009 18.185 8.776 489 HZ2 LYS 61 HZ2 LYS 61 -3.689 17.779 7.933 490 HZ3 LYS 61 HZ3 LYS 61 -4.277 16.744 9.038 491 H ILE 62 H ILE 62 -2.597 22.193 13.167 492 HA ILE 62 HA ILE 62 -3.203 21.048 15.678 493 HB ILE 62 HB ILE 62 -1.197 22.580 14.524 494 HG12 ILE 62 HG12 ILE 62 -0.015 22.183 16.768 495 HG13 ILE 62 HG13 ILE 62 -1.495 21.300 17.197 496 HG21 ILE 62 HG21 ILE 62 -2.108 24.671 15.151 497 HG22 ILE 62 HG22 ILE 62 -2.066 24.197 16.885 498 HG23 ILE 62 HG23 ILE 62 -0.570 24.377 15.941 499 HD11 ILE 62 HD11 ILE 62 -1.096 20.172 14.828 500 HD12 ILE 62 HD12 ILE 62 0.563 20.793 15.031 501 HD13 ILE 62 HD13 ILE 62 -0.089 19.655 16.215 502 H VAL 63 H VAL 63 -4.360 24.135 14.259 503 HA VAL 63 HA VAL 63 -5.592 24.977 16.780 504 HB VAL 63 HB VAL 63 -7.179 26.210 15.008 505 HG11 VAL 63 HG11 VAL 63 -5.984 28.122 15.499 506 HG12 VAL 63 HG12 VAL 63 -5.637 27.051 16.869 507 HG13 VAL 63 HG13 VAL 63 -4.432 27.276 15.576 508 HG21 VAL 63 HG21 VAL 63 -6.244 25.304 12.993 509 HG22 VAL 63 HG22 VAL 63 -5.919 27.042 13.120 510 HG23 VAL 63 HG23 VAL 63 -4.622 25.875 13.456 511 H ASP 64 H ASP 64 -6.536 22.889 14.163 512 HA ASP 64 HA ASP 64 -9.312 22.967 14.837 513 HB2 ASP 64 HB2 ASP 64 -7.851 21.100 12.930 514 HB3 ASP 64 HB3 ASP 64 -9.599 21.225 13.068 515 H LEU 65 H LEU 65 -6.665 21.112 15.867 516 HA LEU 65 HA LEU 65 -8.406 19.079 17.205 517 HB2 LEU 65 HB2 LEU 65 -5.884 18.949 15.667 518 HB3 LEU 65 HB3 LEU 65 -5.956 17.959 17.118 519 HG LEU 65 HG LEU 65 -7.910 16.751 16.341 520 HD11 LEU 65 HD11 LEU 65 -8.622 17.005 13.927 521 HD12 LEU 65 HD12 LEU 65 -9.135 18.312 14.979 522 HD13 LEU 65 HD13 LEU 65 -7.747 18.560 13.889 523 HD21 LEU 65 HD21 LEU 65 -5.808 16.950 14.154 524 HD22 LEU 65 HD22 LEU 65 -5.594 16.062 15.680 525 HD23 LEU 65 HD23 LEU 65 -6.841 15.550 14.550 526 H LEU 66 H LEU 66 -5.351 21.097 17.913 527 HA LEU 66 HA LEU 66 -5.927 20.650 20.752 528 HB2 LEU 66 HB2 LEU 66 -4.148 22.672 19.369 529 HB3 LEU 66 HB3 LEU 66 -4.370 22.612 21.099 530 HG LEU 66 HG LEU 66 -3.171 20.384 19.433 531 HD11 LEU 66 HD11 LEU 66 -1.083 21.177 20.564 532 HD12 LEU 66 HD12 LEU 66 -1.802 22.320 19.421 533 HD13 LEU 66 HD13 LEU 66 -1.988 22.599 21.155 534 HD21 LEU 66 HD21 LEU 66 -4.199 19.523 21.535 535 HD22 LEU 66 HD22 LEU 66 -2.434 19.465 21.603 536 HD23 LEU 66 HD23 LEU 66 -3.301 20.753 22.460 537 H ALA 67 H ALA 67 -5.900 23.847 19.031 538 HA ALA 67 HA ALA 67 -7.322 25.124 21.070 539 HB1 ALA 67 HB1 ALA 67 -7.726 26.912 19.391 540 HB2 ALA 67 HB2 ALA 67 -6.081 26.278 19.320 541 HB3 ALA 67 HB3 ALA 67 -7.258 25.790 18.095 542 H SER 68 H SER 68 -8.854 23.610 18.284 543 HA SER 68 HA SER 68 -11.484 24.593 18.961 544 HB2 SER 68 HB2 SER 68 -10.719 22.332 17.105 545 HB3 SER 68 HB3 SER 68 -12.302 23.127 17.176 546 HG SER 68 HG SER 68 -9.804 24.332 16.514 547 H ARG 69 H ARG 69 -9.692 22.107 20.363 548 HA ARG 69 HA ARG 69 -12.119 20.701 21.417 549 HB2 ARG 69 HB2 ARG 69 -9.383 19.442 21.234 550 HB3 ARG 69 HB3 ARG 69 -10.937 18.653 21.478 551 HG2 ARG 69 HG2 ARG 69 -9.923 19.936 18.916 552 HG3 ARG 69 HG3 ARG 69 -10.020 18.215 19.239 553 HD2 ARG 69 HD2 ARG 69 -12.371 18.185 19.041 554 HD3 ARG 69 HD3 ARG 69 -12.519 19.936 19.252 555 HE ARG 69 HE ARG 69 -10.932 19.690 16.991 556 HH11 ARG 69 HH11 ARG 69 -14.209 18.612 17.690 557 HH12 ARG 69 HH12 ARG 69 -14.654 18.740 16.007 558 HH21 ARG 69 HH21 ARG 69 -11.565 19.855 14.991 559 HH22 ARG 69 HH22 ARG 69 -13.196 19.413 14.508 560 H ASN 70 H ASN 70 -11.054 23.108 22.389 561 HA ASN 70 HA ASN 70 -10.683 24.201 24.241 562 HB2 ASN 70 HB2 ASN 70 -11.069 21.630 25.804 563 HB3 ASN 70 HB3 ASN 70 -11.164 23.260 26.434 564 HD21 ASN 70 HD21 ASN 70 -14.552 23.633 25.541 565 HD22 ASN 70 HD22 ASN 70 -13.164 24.292 26.390 566 H LYS 71 H LYS 71 -8.281 22.403 23.034 567 HA LYS 71 HA LYS 71 -6.419 23.007 25.235 568 HB2 LYS 71 HB2 LYS 71 -5.802 21.367 22.779 569 HB3 LYS 71 HB3 LYS 71 -4.814 21.539 24.208 570 HG2 LYS 71 HG2 LYS 71 -7.394 19.994 23.885 571 HG3 LYS 71 HG3 LYS 71 -5.794 19.371 24.223 572 HD2 LYS 71 HD2 LYS 71 -7.675 20.837 26.095 573 HD3 LYS 71 HD3 LYS 71 -7.091 19.193 26.219 574 HE2 LYS 71 HE2 LYS 71 -5.499 21.752 26.715 575 HE3 LYS 71 HE3 LYS 71 -6.097 20.611 27.912 576 HZ1 LYS 71 HZ1 LYS 71 -4.607 18.921 26.705 577 HZ2 LYS 71 HZ2 LYS 71 -3.830 20.231 26.052 578 HZ3 LYS 71 HZ3 LYS 71 -3.889 20.027 27.652 579 H TRP 72 H TRP 72 -7.495 25.105 23.563 580 HA TRP 72 HA TRP 72 -5.473 26.303 21.982 581 HB2 TRP 72 HB2 TRP 72 -6.710 28.441 23.136 582 HB3 TRP 72 HB3 TRP 72 -7.265 27.537 21.734 583 HD1 TRP 72 HD1 TRP 72 -7.926 26.330 25.347 584 HE1 TRP 72 HE1 TRP 72 -10.445 26.196 25.641 585 HE3 TRP 72 HE3 TRP 72 -9.388 28.705 21.039 586 HZ2 TRP 72 HZ2 TRP 72 -12.824 27.204 24.321 587 HZ3 TRP 72 HZ3 TRP 72 -11.779 29.179 20.633 588 HH2 TRP 72 HH2 TRP 72 -13.508 28.443 22.259 589 H ASP 73 H ASP 73 -5.622 25.966 25.458 590 HA ASP 73 HA ASP 73 -3.603 27.704 26.336 591 HB2 ASP 73 HB2 ASP 73 -4.284 24.826 27.048 592 HB3 ASP 73 HB3 ASP 73 -3.247 25.866 28.042 593 H ASP 74 H ASP 74 -3.307 24.757 24.391 594 HA ASP 74 HA ASP 74 -0.402 24.631 24.722 595 HB2 ASP 74 HB2 ASP 74 -2.351 22.761 23.359 596 HB3 ASP 74 HB3 ASP 74 -0.617 22.486 23.502 597 H LEU 75 H LEU 75 -2.525 26.145 22.456 598 HA LEU 75 HA LEU 75 -1.113 25.846 20.010 599 HB2 LEU 75 HB2 LEU 75 -3.242 27.474 21.057 600 HB3 LEU 75 HB3 LEU 75 -2.146 28.365 20.003 601 HG LEU 75 HG LEU 75 -4.188 27.307 18.982 602 HD11 LEU 75 HD11 LEU 75 -2.650 28.140 17.535 603 HD12 LEU 75 HD12 LEU 75 -1.444 26.858 17.838 604 HD13 LEU 75 HD13 LEU 75 -2.921 26.501 16.922 605 HD21 LEU 75 HD21 LEU 75 -2.659 24.691 19.104 606 HD22 LEU 75 HD22 LEU 75 -4.057 25.098 20.112 607 HD23 LEU 75 HD23 LEU 75 -4.222 24.994 18.351 608 H ASN 76 H ASN 76 -0.451 28.028 22.714 609 HA ASN 76 HA ASN 76 1.746 29.440 21.616 610 HB2 ASN 76 HB2 ASN 76 0.873 30.081 23.754 611 HB3 ASN 76 HB3 ASN 76 1.095 28.464 24.419 612 HD21 ASN 76 HD21 ASN 76 4.325 29.206 25.587 613 HD22 ASN 76 HD22 ASN 76 2.933 28.146 25.647 614 H GLU 77 H GLU 77 1.737 26.126 22.943 615 HA GLU 77 HA GLU 77 4.595 25.864 22.750 616 HB2 GLU 77 HB2 GLU 77 3.447 24.471 24.279 617 HB3 GLU 77 HB3 GLU 77 2.486 23.711 23.006 618 HG2 GLU 77 HG2 GLU 77 4.341 22.551 22.116 619 HG3 GLU 77 HG3 GLU 77 5.506 23.675 22.827 620 H GLN 78 H GLN 78 1.924 25.487 20.489 621 HA GLN 78 HA GLN 78 3.377 24.009 18.478 622 HB2 GLN 78 HB2 GLN 78 0.905 25.715 18.026 623 HB3 GLN 78 HB3 GLN 78 1.454 24.317 17.120 624 HG2 GLN 78 HG2 GLN 78 0.259 24.425 19.860 625 HG3 GLN 78 HG3 GLN 78 -0.332 23.561 18.480 626 HE21 GLN 78 HE21 GLN 78 1.837 21.639 21.201 627 HE22 GLN 78 HE22 GLN 78 0.957 23.150 21.465 628 H LEU 79 H LEU 79 3.035 27.412 19.158 629 HA LEU 79 HA LEU 79 4.521 28.345 16.833 630 HB2 LEU 79 HB2 LEU 79 3.420 29.436 19.430 631 HB3 LEU 79 HB3 LEU 79 4.630 30.392 18.605 632 HG LEU 79 HG LEU 79 2.193 30.964 18.111 633 HD11 LEU 79 HD11 LEU 79 4.181 30.374 15.896 634 HD12 LEU 79 HD12 LEU 79 2.699 31.282 15.681 635 HD13 LEU 79 HD13 LEU 79 3.879 31.925 16.794 636 HD21 LEU 79 HD21 LEU 79 1.062 29.755 16.268 637 HD22 LEU 79 HD22 LEU 79 2.318 28.515 16.298 638 HD23 LEU 79 HD23 LEU 79 1.259 28.714 17.698 639 H THR 80 H THR 80 5.290 27.077 19.938 640 HA THR 80 HA THR 80 8.008 28.131 20.116 641 HB THR 80 HB THR 80 6.182 26.400 21.728 642 HG1 THR 80 HG1 THR 80 5.750 28.414 22.034 643 HG21 THR 80 HG21 THR 80 7.807 26.349 23.569 644 HG22 THR 80 HG22 THR 80 8.141 25.294 22.181 645 HG23 THR 80 HG23 THR 80 9.067 26.816 22.385 646 H LEU 81 H LEU 81 6.595 24.974 19.296 647 HA LEU 81 HA LEU 81 8.169 22.985 19.822 648 HB2 LEU 81 HB2 LEU 81 7.530 23.529 16.949 649 HB3 LEU 81 HB3 LEU 81 7.859 21.969 17.694 650 HG LEU 81 HG LEU 81 5.469 23.776 18.127 651 HD11 LEU 81 HD11 LEU 81 4.144 21.942 17.173 652 HD12 LEU 81 HD12 LEU 81 5.404 22.461 16.047 653 HD13 LEU 81 HD13 LEU 81 5.602 20.962 16.969 654 HD21 LEU 81 HD21 LEU 81 4.520 22.043 19.585 655 HD22 LEU 81 HD22 LEU 81 6.006 21.100 19.461 656 HD23 LEU 81 HD23 LEU 81 6.014 22.663 20.281 657 H LEU 82 H LEU 82 9.356 24.947 17.122 658 HA LEU 82 HA LEU 82 11.989 23.565 17.254 659 HB2 LEU 82 HB2 LEU 82 10.926 25.506 15.173 660 HB3 LEU 82 HB3 LEU 82 12.364 24.499 15.039 661 HG LEU 82 HG LEU 82 9.513 23.400 15.220 662 HD11 LEU 82 HD11 LEU 82 9.756 22.948 12.822 663 HD12 LEU 82 HD12 LEU 82 9.782 24.682 13.190 664 HD13 LEU 82 HD13 LEU 82 11.300 23.843 12.818 665 HD21 LEU 82 HD21 LEU 82 11.171 21.783 16.015 666 HD22 LEU 82 HD22 LEU 82 10.557 21.302 14.431 667 HD23 LEU 82 HD23 LEU 82 12.166 22.053 14.571 668 H SER 83 H SER 83 10.531 26.474 18.198 669 HA SER 83 HA SER 83 12.903 28.203 18.315 670 HB2 SER 83 HB2 SER 83 10.505 28.986 17.884 671 HB3 SER 83 HB3 SER 83 10.145 28.571 19.553 672 HG SER 83 HG SER 83 11.902 30.001 20.149 673 H LYS 84 H LYS 84 11.707 25.609 20.177 674 HA LYS 84 HA LYS 84 11.837 26.298 22.832 675 HB2 LYS 84 HB2 LYS 84 12.771 23.765 21.426 676 HB3 LYS 84 HB3 LYS 84 12.838 23.919 23.178 677 HG2 LYS 84 HG2 LYS 84 10.414 24.333 23.291 678 HG3 LYS 84 HG3 LYS 84 10.297 24.157 21.527 679 HD2 LYS 84 HD2 LYS 84 11.181 21.849 21.683 680 HD3 LYS 84 HD3 LYS 84 11.361 21.995 23.430 681 HE2 LYS 84 HE2 LYS 84 8.692 22.216 21.961 682 HE3 LYS 84 HE3 LYS 84 9.341 20.699 22.603 683 HZ1 LYS 84 HZ1 LYS 84 7.766 21.831 24.154 684 HZ2 LYS 84 HZ2 LYS 84 9.241 21.586 24.814 685 HZ3 LYS 84 HZ3 LYS 84 8.808 23.073 24.318 686 H LYS 85 H LYS 85 14.736 25.801 20.873 687 HA LYS 85 HA LYS 85 16.339 27.238 22.875 688 HB2 LYS 85 HB2 LYS 85 16.448 24.893 23.670 689 HB3 LYS 85 HB3 LYS 85 17.161 24.404 22.137 690 HG2 LYS 85 HG2 LYS 85 19.108 25.900 22.572 691 HG3 LYS 85 HG3 LYS 85 18.347 26.441 24.080 692 HD2 LYS 85 HD2 LYS 85 18.456 24.106 24.963 693 HD3 LYS 85 HD3 LYS 85 19.162 23.570 23.436 694 HE2 LYS 85 HE2 LYS 85 20.952 23.781 24.996 695 HE3 LYS 85 HE3 LYS 85 21.124 25.074 23.810 696 HZ1 LYS 85 HZ1 LYS 85 20.146 26.598 25.460 697 HZ2 LYS 85 HZ2 LYS 85 19.979 25.380 26.538 698 HZ3 LYS 85 HZ3 LYS 85 21.459 25.868 26.077 699 H HIS 86 H HIS 86 17.109 25.180 20.091 700 HA HIS 86 HA HIS 86 18.154 27.532 18.599 701 HB2 HIS 86 HB2 HIS 86 19.889 26.567 20.212 702 HB3 HIS 86 HB3 HIS 86 19.888 25.114 19.230 703 HD2 HIS 86 HD2 HIS 86 19.771 28.420 17.264 704 HE1 HIS 86 HE1 HIS 86 23.875 27.267 17.348 705 HE2 HIS 86 HE2 HIS 86 22.189 28.884 16.337 706 H GLY 87 H GLY 87 16.061 25.167 18.204 707 HA2 GLY 87 HA2 GLY 87 16.982 23.670 15.924 708 HA3 GLY 87 HA3 GLY 87 15.312 23.854 16.470 709 H GLN 88 H GLN 88 14.848 26.537 16.204 710 HA GLN 88 HA GLN 88 15.698 27.538 13.555 711 HB2 GLN 88 HB2 GLN 88 12.804 26.989 14.359 712 HB3 GLN 88 HB3 GLN 88 13.247 28.086 13.065 713 HG2 GLN 88 HG2 GLN 88 13.892 25.107 13.057 714 HG3 GLN 88 HG3 GLN 88 12.530 25.876 12.258 715 HE21 GLN 88 HE21 GLN 88 16.178 26.096 10.465 716 HE22 GLN 88 HE22 GLN 88 16.040 25.421 12.093 717 H LEU 89 H LEU 89 15.322 29.761 13.254 718 HA LEU 89 HA LEU 89 15.056 31.479 15.600 719 HB2 LEU 89 HB2 LEU 89 15.317 33.310 13.981 720 HB3 LEU 89 HB3 LEU 89 16.541 32.080 13.771 721 HG LEU 89 HG LEU 89 14.863 31.165 11.876 722 HD11 LEU 89 HD11 LEU 89 14.237 34.156 11.944 723 HD12 LEU 89 HD12 LEU 89 13.809 33.026 10.647 724 HD13 LEU 89 HD13 LEU 89 13.070 32.852 12.227 725 HD21 LEU 89 HD21 LEU 89 16.104 32.502 10.228 726 HD22 LEU 89 HD22 LEU 89 16.665 33.590 11.520 727 HD23 LEU 89 HD23 LEU 89 17.172 31.889 11.498 728 H LYS 90 H LYS 90 13.231 32.760 16.068 729 HA LYS 90 HA LYS 90 10.871 31.339 15.820 730 HB2 LYS 90 HB2 LYS 90 11.229 33.229 17.528 731 HB3 LYS 90 HB3 LYS 90 10.827 34.383 16.236 732 HG2 LYS 90 HG2 LYS 90 8.927 34.035 17.674 733 HG3 LYS 90 HG3 LYS 90 8.595 33.510 16.023 734 HD2 LYS 90 HD2 LYS 90 9.030 31.166 16.714 735 HD3 LYS 90 HD3 LYS 90 9.346 31.696 18.367 736 HE2 LYS 90 HE2 LYS 90 7.139 30.871 18.337 737 HE3 LYS 90 HE3 LYS 90 6.969 32.624 18.373 738 HZ1 LYS 90 HZ1 LYS 90 5.541 31.515 16.695 739 HZ2 LYS 90 HZ2 LYS 90 6.533 32.594 15.986 740 HZ3 LYS 90 HZ3 LYS 90 6.823 30.966 15.894 741 H LEU 91 H LEU 91 11.796 34.030 13.679 742 HA LEU 91 HA LEU 91 9.392 34.302 12.387 743 HB2 LEU 91 HB2 LEU 91 11.367 35.809 12.353 744 HB3 LEU 91 HB3 LEU 91 12.028 34.773 11.071 745 HG LEU 91 HG LEU 91 10.237 35.345 9.585 746 HD11 LEU 91 HD11 LEU 91 9.026 36.884 11.931 747 HD12 LEU 91 HD12 LEU 91 8.598 37.186 10.238 748 HD13 LEU 91 HD13 LEU 91 8.279 35.604 10.936 749 HD21 LEU 91 HD21 LEU 91 11.275 37.844 10.974 750 HD22 LEU 91 HD22 LEU 91 12.178 36.881 9.782 751 HD23 LEU 91 HD23 LEU 91 10.700 37.728 9.296 752 H SER 92 H SER 92 11.312 31.584 12.179 753 HA SER 92 HA SER 92 10.344 30.633 9.533 754 HB2 SER 92 HB2 SER 92 12.649 30.088 10.257 755 HB3 SER 92 HB3 SER 92 12.000 29.335 11.731 756 HG SER 92 HG SER 92 12.501 27.828 10.045 757 H ILE 93 H ILE 93 9.994 29.903 12.989 758 HA ILE 93 HA ILE 93 7.598 28.210 12.521 759 HB ILE 93 HB ILE 93 9.392 27.406 13.953 760 HG12 ILE 93 HG12 ILE 93 6.698 27.810 15.374 761 HG13 ILE 93 HG13 ILE 93 7.045 26.590 14.147 762 HG21 ILE 93 HG21 ILE 93 8.582 29.261 16.105 763 HG22 ILE 93 HG22 ILE 93 10.017 28.220 15.962 764 HG23 ILE 93 HG23 ILE 93 9.912 29.666 14.973 765 HD11 ILE 93 HD11 ILE 93 7.100 25.755 16.463 766 HD12 ILE 93 HD12 ILE 93 8.642 25.553 15.590 767 HD13 ILE 93 HD13 ILE 93 8.460 26.834 16.830 768 H GLN 94 H GLN 94 7.949 31.219 12.172 769 HA GLN 94 HA GLN 94 5.741 32.196 13.815 770 HB2 GLN 94 HB2 GLN 94 7.758 33.529 13.539 771 HB3 GLN 94 HB3 GLN 94 7.451 33.572 11.778 772 HG2 GLN 94 HG2 GLN 94 6.909 35.627 12.774 773 HG3 GLN 94 HG3 GLN 94 5.372 34.882 12.305 774 HE21 GLN 94 HE21 GLN 94 5.026 36.347 15.704 775 HE22 GLN 94 HE22 GLN 94 5.410 36.936 14.094 776 H TYR 95 H TYR 95 6.430 31.164 10.515 777 HA TYR 95 HA TYR 95 3.968 31.940 9.297 778 HB2 TYR 95 HB2 TYR 95 5.822 29.563 8.899 779 HB3 TYR 95 HB3 TYR 95 4.392 29.838 7.896 780 HD1 TYR 95 HD1 TYR 95 4.203 31.927 6.501 781 HD2 TYR 95 HD2 TYR 95 7.846 30.865 8.555 782 HE1 TYR 95 HE1 TYR 95 5.488 33.529 5.078 783 HE2 TYR 95 HE2 TYR 95 9.114 32.463 7.150 784 HH TYR 95 HH TYR 95 9.009 34.003 5.479 785 H MET 96 H MET 96 4.658 29.370 11.645 786 HA MET 96 HA MET 96 2.123 28.076 11.754 787 HB2 MET 96 HB2 MET 96 4.220 28.787 13.841 788 HB3 MET 96 HB3 MET 96 2.784 27.857 14.225 789 HG2 MET 96 HG2 MET 96 4.666 26.391 13.904 790 HG3 MET 96 HG3 MET 96 3.362 26.067 12.775 791 HE1 MET 96 HE1 MET 96 3.457 27.079 10.158 792 HE2 MET 96 HE2 MET 96 4.856 26.375 9.331 793 HE3 MET 96 HE3 MET 96 3.857 25.368 10.403 794 H ILE 97 H ILE 97 3.060 31.321 12.836 795 HA ILE 97 HA ILE 97 0.839 31.645 14.590 796 HB ILE 97 HB ILE 97 3.020 33.185 14.188 797 HG12 ILE 97 HG12 ILE 97 0.433 34.334 15.298 798 HG13 ILE 97 HG13 ILE 97 1.335 33.056 16.111 799 HG21 ILE 97 HG21 ILE 97 2.060 34.153 12.024 800 HG22 ILE 97 HG22 ILE 97 0.769 34.885 13.009 801 HG23 ILE 97 HG23 ILE 97 2.468 35.350 13.253 802 HD11 ILE 97 HD11 ILE 97 1.966 35.117 17.100 803 HD12 ILE 97 HD12 ILE 97 3.349 34.475 16.184 804 HD13 ILE 97 HD13 ILE 97 2.400 35.825 15.525 805 H GLN 98 H GLN 98 0.931 31.650 11.104 806 HA GLN 98 HA GLN 98 -1.500 33.015 10.651 807 HB2 GLN 98 HB2 GLN 98 -1.445 32.145 8.525 808 HB3 GLN 98 HB3 GLN 98 0.250 32.033 8.987 809 HG2 GLN 98 HG2 GLN 98 -0.225 29.583 9.624 810 HG3 GLN 98 HG3 GLN 98 -1.820 29.780 8.895 811 HE21 GLN 98 HE21 GLN 98 1.486 29.598 6.450 812 HE22 GLN 98 HE22 GLN 98 1.669 29.973 8.177 813 H LYS 99 H LYS 99 -0.990 30.049 12.324 814 HA LYS 99 HA LYS 99 -3.863 29.304 12.276 815 HB2 LYS 99 HB2 LYS 99 -1.379 27.906 13.393 816 HB3 LYS 99 HB3 LYS 99 -2.989 27.281 13.588 817 HG2 LYS 99 HG2 LYS 99 -1.701 27.898 10.868 818 HG3 LYS 99 HG3 LYS 99 -1.674 26.332 11.644 819 HD2 LYS 99 HD2 LYS 99 -3.922 25.921 11.271 820 HD3 LYS 99 HD3 LYS 99 -4.385 27.615 11.268 821 HE2 LYS 99 HE2 LYS 99 -3.438 27.976 9.058 822 HE3 LYS 99 HE3 LYS 99 -2.820 26.320 8.996 823 HZ1 LYS 99 HZ1 LYS 99 -4.975 26.590 7.838 824 HZ2 LYS 99 HZ2 LYS 99 -5.105 25.515 9.064 825 HZ3 LYS 99 HZ3 LYS 99 -5.696 27.049 9.234 826 H VAL 100 H VAL 100 -1.383 30.435 14.593 827 HA VAL 100 HA VAL 100 -3.270 30.573 16.725 828 HB VAL 100 HB VAL 100 -0.612 31.713 16.108 829 HG11 VAL 100 HG11 VAL 100 -2.160 33.017 18.360 830 HG12 VAL 100 HG12 VAL 100 -0.425 33.167 18.021 831 HG13 VAL 100 HG13 VAL 100 -1.579 33.807 16.871 832 HG21 VAL 100 HG21 VAL 100 -1.908 30.441 18.571 833 HG22 VAL 100 HG22 VAL 100 -1.009 29.578 17.322 834 HG23 VAL 100 HG23 VAL 100 -0.173 30.734 18.384 835 H MET 101 H MET 101 -2.443 33.051 14.264 836 HA MET 101 HA MET 101 -4.731 34.611 15.055 837 HB2 MET 101 HB2 MET 101 -4.349 36.077 13.164 838 HB3 MET 101 HB3 MET 101 -2.978 35.914 14.242 839 HG2 MET 101 HG2 MET 101 -1.686 34.836 12.780 840 HG3 MET 101 HG3 MET 101 -3.033 34.229 11.779 841 HE1 MET 101 HE1 MET 101 -1.485 34.961 9.566 842 HE2 MET 101 HE2 MET 101 -0.746 36.567 9.454 843 HE3 MET 101 HE3 MET 101 -0.252 35.458 10.750 844 H GLU 102 H GLU 102 -5.003 31.724 14.076 845 HA GLU 102 HA GLU 102 -7.375 32.289 12.427 846 HB2 GLU 102 HB2 GLU 102 -5.922 30.661 11.318 847 HB3 GLU 102 HB3 GLU 102 -6.076 29.543 12.671 848 HG2 GLU 102 HG2 GLU 102 -8.366 29.148 12.246 849 HG3 GLU 102 HG3 GLU 102 -8.558 30.644 11.337 850 H TYR 103 H TYR 103 -7.165 29.424 14.535 851 HA TYR 103 HA TYR 103 -9.848 30.206 15.370 852 HB2 TYR 103 HB2 TYR 103 -9.177 27.859 14.706 853 HB3 TYR 103 HB3 TYR 103 -8.342 27.739 16.256 854 HD1 TYR 103 HD1 TYR 103 -9.595 27.557 18.359 855 HD2 TYR 103 HD2 TYR 103 -11.649 28.052 14.600 856 HE1 TYR 103 HE1 TYR 103 -11.726 26.926 19.451 857 HE2 TYR 103 HE2 TYR 103 -13.801 27.447 15.704 858 HH TYR 103 HH TYR 103 -13.982 26.715 19.201 859 H LEU 104 H LEU 104 -6.702 29.921 16.841 860 HA LEU 104 HA LEU 104 -7.419 30.129 19.586 861 HB2 LEU 104 HB2 LEU 104 -5.435 29.115 18.630 862 HB3 LEU 104 HB3 LEU 104 -4.912 30.630 17.963 863 HG LEU 104 HG LEU 104 -3.597 29.809 19.845 864 HD11 LEU 104 HD11 LEU 104 -4.927 32.384 20.791 865 HD12 LEU 104 HD12 LEU 104 -3.212 31.948 20.789 866 HD13 LEU 104 HD13 LEU 104 -4.027 32.360 19.273 867 HD21 LEU 104 HD21 LEU 104 -6.064 30.391 21.539 868 HD22 LEU 104 HD22 LEU 104 -5.351 28.800 21.162 869 HD23 LEU 104 HD23 LEU 104 -4.449 29.967 22.140 870 H LYS 105 H LYS 105 -6.500 32.654 17.190 871 HA LYS 105 HA LYS 105 -7.051 34.934 18.849 872 HB2 LYS 105 HB2 LYS 105 -6.601 34.348 15.974 873 HB3 LYS 105 HB3 LYS 105 -7.754 35.623 16.210 874 HG2 LYS 105 HG2 LYS 105 -5.522 36.485 15.846 875 HG3 LYS 105 HG3 LYS 105 -6.252 37.050 17.340 876 HD2 LYS 105 HD2 LYS 105 -4.741 35.914 18.704 877 HD3 LYS 105 HD3 LYS 105 -4.457 34.659 17.533 878 HE2 LYS 105 HE2 LYS 105 -2.445 36.053 17.814 879 HE3 LYS 105 HE3 LYS 105 -3.033 36.110 16.159 880 HZ1 LYS 105 HZ1 LYS 105 -3.465 38.242 18.212 881 HZ2 LYS 105 HZ2 LYS 105 -2.435 38.319 16.969 882 HZ3 LYS 105 HZ3 LYS 105 -4.031 38.309 16.684 883 H SER 106 H SER 106 -9.054 33.149 16.547 884 HA SER 106 HA SER 106 -11.320 34.802 16.601 885 HB2 SER 106 HB2 SER 106 -11.261 31.791 16.154 886 HB3 SER 106 HB3 SER 106 -12.620 32.865 15.785 887 HG SER 106 HG SER 106 -10.028 32.830 14.624 888 H SER 107 H SER 107 -10.570 32.156 18.829 889 HA SER 107 HA SER 107 -11.333 31.584 20.862 890 HB2 SER 107 HB2 SER 107 -10.397 33.584 21.534 891 HB3 SER 107 HB3 SER 107 -11.705 34.558 20.841 892 HG SER 107 HG SER 107 -12.070 34.543 22.962 893 H LYS 108 H LYS 108 -13.877 33.968 20.336 894 HA LYS 108 HA LYS 108 -16.036 34.057 20.938 895 HB2 LYS 108 HB2 LYS 108 -16.185 31.222 19.832 896 HB3 LYS 108 HB3 LYS 108 -17.559 32.281 20.149 897 HG2 LYS 108 HG2 LYS 108 -16.663 33.929 18.495 898 HG3 LYS 108 HG3 LYS 108 -15.340 32.807 18.124 899 HD2 LYS 108 HD2 LYS 108 -16.979 31.092 17.409 900 HD3 LYS 108 HD3 LYS 108 -18.309 32.217 17.775 901 HE2 LYS 108 HE2 LYS 108 -17.386 33.832 16.123 902 HE3 LYS 108 HE3 LYS 108 -16.075 32.710 15.751 903 HZ1 LYS 108 HZ1 LYS 108 -17.885 32.520 14.146 904 HZ2 LYS 108 HZ2 LYS 108 -17.747 31.121 14.964 905 HZ3 LYS 108 HZ3 LYS 108 -18.956 32.153 15.312 906 H SER 109 H SER 109 -14.316 31.515 22.531 907 HA SER 109 HA SER 109 -15.968 32.006 24.881 908 HB2 SER 109 HB2 SER 109 -15.330 29.167 23.969 909 HB3 SER 109 HB3 SER 109 -16.318 29.628 25.366 910 HG SER 109 HG SER 109 -17.801 30.580 23.879 911 H LEU 110 H LEU 110 -13.123 32.634 24.188 912 HA LEU 110 HA LEU 110 -11.817 31.283 26.455 913 HB2 LEU 110 HB2 LEU 110 -10.690 33.490 24.677 914 HB3 LEU 110 HB3 LEU 110 -9.927 32.913 26.138 915 HG LEU 110 HG LEU 110 -10.427 31.247 23.637 916 HD11 LEU 110 HD11 LEU 110 -8.535 32.850 23.562 917 HD12 LEU 110 HD12 LEU 110 -7.887 32.152 25.069 918 HD13 LEU 110 HD13 LEU 110 -7.975 31.175 23.587 919 HD21 LEU 110 HD21 LEU 110 -9.544 30.538 26.457 920 HD22 LEU 110 HD22 LEU 110 -10.686 29.685 25.405 921 HD23 LEU 110 HD23 LEU 110 -8.957 29.596 25.061 922 H ASP 111 H ASP 111 -11.355 32.078 28.341 923 HA ASP 111 HA ASP 111 -12.721 34.491 29.306 924 HB2 ASP 111 HB2 ASP 111 -10.995 32.455 30.769 925 HB3 ASP 111 HB3 ASP 111 -11.770 33.858 31.506 926 H LEU 112 H LEU 112 -11.578 36.310 29.993 927 HA LEU 112 HA LEU 112 -9.363 37.124 28.473 928 HB2 LEU 112 HB2 LEU 112 -10.495 38.122 31.119 929 HB3 LEU 112 HB3 LEU 112 -9.012 38.793 30.473 930 HG LEU 112 HG LEU 112 -10.177 39.450 28.374 931 HD11 LEU 112 HD11 LEU 112 -12.050 37.873 28.308 932 HD12 LEU 112 HD12 LEU 112 -12.709 38.550 29.823 933 HD13 LEU 112 HD13 LEU 112 -12.657 39.528 28.339 934 HD21 LEU 112 HD21 LEU 112 -11.460 40.484 30.939 935 HD22 LEU 112 HD22 LEU 112 -9.920 41.034 30.241 936 HD23 LEU 112 HD23 LEU 112 -11.438 41.320 29.371 937 H ASN 113 H ASN 113 -9.276 35.840 31.786 938 HA ASN 113 HA ASN 113 -6.507 36.255 32.112 939 HB2 ASN 113 HB2 ASN 113 -8.337 34.167 33.388 940 HB3 ASN 113 HB3 ASN 113 -6.723 34.558 33.989 941 HD21 ASN 113 HD21 ASN 113 -9.552 36.594 35.666 942 HD22 ASN 113 HD22 ASN 113 -9.585 34.921 35.134 943 H THR 114 H THR 114 -8.228 33.579 30.515 944 HA THR 114 HA THR 114 -5.877 31.812 30.323 945 HB THR 114 HB THR 114 -8.724 31.803 29.282 946 HG1 THR 114 HG1 THR 114 -8.230 30.975 31.343 947 HG21 THR 114 HG21 THR 114 -6.457 30.010 28.380 948 HG22 THR 114 HG22 THR 114 -8.189 29.634 28.179 949 HG23 THR 114 HG23 THR 114 -7.497 31.067 27.388 950 H ARG 115 H ARG 115 -7.787 33.955 28.144 951 HA ARG 115 HA ARG 115 -6.101 33.714 25.897 952 HB2 ARG 115 HB2 ARG 115 -8.322 34.780 25.860 953 HB3 ARG 115 HB3 ARG 115 -7.677 36.192 26.731 954 HG2 ARG 115 HG2 ARG 115 -6.116 36.710 24.924 955 HG3 ARG 115 HG3 ARG 115 -6.387 35.113 24.192 956 HD2 ARG 115 HD2 ARG 115 -8.852 35.870 23.926 957 HD3 ARG 115 HD3 ARG 115 -8.194 37.501 24.230 958 HE ARG 115 HE ARG 115 -6.821 35.774 22.234 959 HH11 ARG 115 HH11 ARG 115 -9.227 38.328 22.573 960 HH12 ARG 115 HH12 ARG 115 -8.865 39.005 21.008 961 HH21 ARG 115 HH21 ARG 115 -6.314 36.854 20.319 962 HH22 ARG 115 HH22 ARG 115 -7.326 38.168 19.766 963 H ILE 116 H ILE 116 -5.883 36.149 28.475 964 HA ILE 116 HA ILE 116 -3.532 37.440 27.679 965 HB ILE 116 HB ILE 116 -4.850 36.793 30.277 966 HG12 ILE 116 HG12 ILE 116 -3.912 39.407 28.980 967 HG13 ILE 116 HG13 ILE 116 -5.459 38.651 28.632 968 HG21 ILE 116 HG21 ILE 116 -3.183 38.009 31.626 969 HG22 ILE 116 HG22 ILE 116 -2.618 36.466 30.990 970 HG23 ILE 116 HG23 ILE 116 -2.073 37.991 30.232 971 HD11 ILE 116 HD11 ILE 116 -6.118 38.865 31.037 972 HD12 ILE 116 HD12 ILE 116 -4.610 39.762 31.336 973 HD13 ILE 116 HD13 ILE 116 -5.829 40.420 30.230 974 H SER 117 H SER 117 -3.838 34.310 29.175 975 HA SER 117 HA SER 117 -1.044 33.973 29.831 976 HB2 SER 117 HB2 SER 117 -3.265 31.901 29.808 977 HB3 SER 117 HB3 SER 117 -1.644 31.685 30.472 978 HG SER 117 HG SER 117 -3.693 33.452 31.361 979 H VAL 118 H VAL 118 -2.786 33.650 26.921 980 HA VAL 118 HA VAL 118 -0.548 32.166 25.655 981 HB VAL 118 HB VAL 118 -2.609 31.155 25.311 982 HG11 VAL 118 HG11 VAL 118 -4.221 32.843 25.630 983 HG12 VAL 118 HG12 VAL 118 -3.818 33.668 24.081 984 HG13 VAL 118 HG13 VAL 118 -4.509 32.049 24.077 985 HG21 VAL 118 HG21 VAL 118 -2.485 30.966 22.889 986 HG22 VAL 118 HG22 VAL 118 -1.913 32.650 22.730 987 HG23 VAL 118 HG23 VAL 118 -0.857 31.429 23.431 988 H ILE 119 H ILE 119 -2.526 35.183 25.206 989 HA ILE 119 HA ILE 119 -0.999 36.100 23.040 990 HB ILE 119 HB ILE 119 -3.368 36.674 24.134 991 HG12 ILE 119 HG12 ILE 119 -3.388 38.883 22.976 992 HG13 ILE 119 HG13 ILE 119 -1.650 38.669 22.660 993 HG21 ILE 119 HG21 ILE 119 -2.210 37.668 26.195 994 HG22 ILE 119 HG22 ILE 119 -2.027 39.120 25.207 995 HG23 ILE 119 HG23 ILE 119 -3.657 38.426 25.512 996 HD11 ILE 119 HD11 ILE 119 -3.833 36.714 21.805 997 HD12 ILE 119 HD12 ILE 119 -3.158 37.989 20.759 998 HD13 ILE 119 HD13 ILE 119 -2.125 36.663 21.319 999 H GLU 120 H GLU 120 -0.377 36.569 26.545 1000 HA GLU 120 HA GLU 120 1.742 38.446 26.018 1001 HB2 GLU 120 HB2 GLU 120 0.890 36.918 28.486 1002 HB3 GLU 120 HB3 GLU 120 2.357 37.923 28.437 1003 HG2 GLU 120 HG2 GLU 120 0.970 39.822 27.535 1004 HG3 GLU 120 HG3 GLU 120 -0.484 38.867 27.853 1005 H THR 121 H THR 121 1.769 34.912 26.540 1006 HA THR 121 HA THR 121 4.662 34.745 26.314 1007 HB THR 121 HB THR 121 3.631 32.985 27.444 1008 HG1 THR 121 HG1 THR 121 4.140 31.687 25.043 1009 HG21 THR 121 HG21 THR 121 1.405 32.976 26.472 1010 HG22 THR 121 HG22 THR 121 2.033 32.312 24.953 1011 HG23 THR 121 HG23 THR 121 2.108 31.359 26.458 1012 H ILE 122 H ILE 122 1.993 34.412 23.861 1013 HA ILE 122 HA ILE 122 3.740 34.182 21.622 1014 HB ILE 122 HB ILE 122 0.917 34.854 22.097 1015 HG12 ILE 122 HG12 ILE 122 0.590 33.527 20.062 1016 HG13 ILE 122 HG13 ILE 122 2.330 33.524 19.748 1017 HG21 ILE 122 HG21 ILE 122 2.181 36.114 19.655 1018 HG22 ILE 122 HG22 ILE 122 0.434 35.855 19.925 1019 HG23 ILE 122 HG23 ILE 122 1.295 36.934 21.000 1020 HD11 ILE 122 HD11 ILE 122 2.715 32.144 21.731 1021 HD12 ILE 122 HD12 ILE 122 1.003 32.286 22.192 1022 HD13 ILE 122 HD13 ILE 122 1.461 31.411 20.712 1023 H ARG 123 H ARG 123 2.680 37.199 23.297 1024 HA ARG 123 HA ARG 123 4.180 38.974 21.611 1025 HB2 ARG 123 HB2 ARG 123 3.129 39.184 24.459 1026 HB3 ARG 123 HB3 ARG 123 4.115 40.466 23.747 1027 HG2 ARG 123 HG2 ARG 123 2.558 40.898 22.012 1028 HG3 ARG 123 HG3 ARG 123 1.679 39.393 22.284 1029 HD2 ARG 123 HD2 ARG 123 0.967 40.198 24.521 1030 HD3 ARG 123 HD3 ARG 123 1.798 41.742 24.219 1031 HE ARG 123 HE ARG 123 0.024 41.307 22.055 1032 HH11 ARG 123 HH11 ARG 123 -1.969 42.247 21.890 1033 HH12 ARG 123 HH12 ARG 123 -2.773 42.838 23.318 1034 HH21 ARG 123 HH21 ARG 123 -0.283 41.987 25.493 1035 HH22 ARG 123 HH22 ARG 123 -1.864 42.692 25.277 1036 H VAL 124 H VAL 124 5.184 37.573 24.761 1037 HA VAL 124 HA VAL 124 7.813 38.593 24.795 1038 HB VAL 124 HB VAL 124 6.588 36.082 25.991 1039 HG11 VAL 124 HG11 VAL 124 8.972 35.622 25.941 1040 HG12 VAL 124 HG12 VAL 124 9.340 37.241 26.580 1041 HG13 VAL 124 HG13 VAL 124 8.490 36.039 27.585 1042 HG21 VAL 124 HG21 VAL 124 5.772 38.341 26.799 1043 HG22 VAL 124 HG22 VAL 124 6.529 37.358 28.048 1044 HG23 VAL 124 HG23 VAL 124 7.425 38.706 27.302 1045 H VAL 125 H VAL 125 6.749 35.441 23.382 1046 HA VAL 125 HA VAL 125 9.494 34.839 22.629 1047 HB VAL 125 HB VAL 125 7.703 33.183 23.325 1048 HG11 VAL 125 HG11 VAL 125 7.007 33.170 20.370 1049 HG12 VAL 125 HG12 VAL 125 6.318 32.161 21.661 1050 HG13 VAL 125 HG13 VAL 125 5.975 33.898 21.617 1051 HG21 VAL 125 HG21 VAL 125 9.929 32.528 22.507 1052 HG22 VAL 125 HG22 VAL 125 8.674 31.388 21.992 1053 HG23 VAL 125 HG23 VAL 125 9.335 32.557 20.833 1054 H THR 126 H THR 126 6.854 36.442 20.909 1055 HA THR 126 HA THR 126 8.400 36.149 18.368 1056 HB THR 126 HB THR 126 6.492 36.621 17.134 1057 HG1 THR 126 HG1 THR 126 5.049 37.074 19.526 1058 HG21 THR 126 HG21 THR 126 4.645 35.090 17.979 1059 HG22 THR 126 HG22 THR 126 6.250 34.369 17.758 1060 HG23 THR 126 HG23 THR 126 5.644 34.753 19.377 1061 H GLU 127 H GLU 127 7.422 38.779 20.562 1062 HA GLU 127 HA GLU 127 8.183 40.856 18.717 1063 HB2 GLU 127 HB2 GLU 127 8.139 42.328 20.525 1064 HB3 GLU 127 HB3 GLU 127 6.909 41.142 20.860 1065 HG2 GLU 127 HG2 GLU 127 7.834 41.236 22.933 1066 HG3 GLU 127 HG3 GLU 127 8.851 39.953 22.274 1067 H ASN 128 H ASN 128 9.983 38.452 20.258 1068 HA ASN 128 HA ASN 128 12.594 39.506 20.307 1069 HB2 ASN 128 HB2 ASN 128 11.491 37.289 21.242 1070 HB3 ASN 128 HB3 ASN 128 11.917 36.617 19.673 1071 HD21 ASN 128 HD21 ASN 128 14.758 37.289 22.515 1072 HD22 ASN 128 HD22 ASN 128 13.093 37.807 22.754 1073 H LYS 129 H LYS 129 10.616 38.538 17.575 1074 HA LYS 129 HA LYS 129 12.658 39.221 15.610 1075 HB2 LYS 129 HB2 LYS 129 13.118 36.770 16.469 1076 HB3 LYS 129 HB3 LYS 129 11.677 36.341 15.575 1077 HG2 LYS 129 HG2 LYS 129 13.502 35.859 14.165 1078 HG3 LYS 129 HG3 LYS 129 12.805 37.343 13.496 1079 HD2 LYS 129 HD2 LYS 129 14.587 38.696 14.474 1080 HD3 LYS 129 HD3 LYS 129 15.194 37.306 15.405 1081 HE2 LYS 129 HE2 LYS 129 15.765 36.124 13.319 1082 HE3 LYS 129 HE3 LYS 129 15.124 37.473 12.358 1083 HZ1 LYS 129 HZ1 LYS 129 17.531 37.625 12.590 1084 HZ2 LYS 129 HZ2 LYS 129 16.844 38.893 13.338 1085 HZ3 LYS 129 HZ3 LYS 129 17.436 37.656 14.215 1086 H ILE 130 H ILE 130 10.652 40.646 15.710 1087 HA ILE 130 HA ILE 130 8.102 39.948 15.120 1088 HB ILE 130 HB ILE 130 7.741 42.273 14.272 1089 HG12 ILE 130 HG12 ILE 130 10.742 42.620 14.700 1090 HG13 ILE 130 HG13 ILE 130 9.915 42.640 13.145 1091 HG21 ILE 130 HG21 ILE 130 8.106 43.301 16.422 1092 HG22 ILE 130 HG22 ILE 130 7.618 41.625 16.641 1093 HG23 ILE 130 HG23 ILE 130 9.328 42.080 16.856 1094 HD11 ILE 130 HD11 ILE 130 10.356 44.913 13.790 1095 HD12 ILE 130 HD12 ILE 130 8.602 44.651 13.929 1096 HD13 ILE 130 HD13 ILE 130 9.629 44.676 15.386 1097 H PHE 131 H PHE 131 6.725 39.732 13.565 1098 HA PHE 131 HA PHE 131 7.590 39.245 10.802 1099 HB2 PHE 131 HB2 PHE 131 6.171 37.601 11.916 1100 HB3 PHE 131 HB3 PHE 131 4.962 38.820 12.261 1101 HD1 PHE 131 HD1 PHE 131 3.423 39.631 10.505 1102 HD2 PHE 131 HD2 PHE 131 6.376 36.591 9.683 1103 HE1 PHE 131 HE1 PHE 131 2.239 39.041 8.404 1104 HE2 PHE 131 HE2 PHE 131 5.191 36.004 7.593 1105 HZ PHE 131 HZ PHE 131 3.123 37.228 6.942 1106 H VAL 132 H VAL 132 5.491 41.474 12.588 1107 HA VAL 132 HA VAL 132 4.455 42.786 10.239 1108 HB VAL 132 HB VAL 132 4.195 43.693 13.112 1109 HG11 VAL 132 HG11 VAL 132 2.440 44.201 10.675 1110 HG12 VAL 132 HG12 VAL 132 2.026 44.648 12.338 1111 HG13 VAL 132 HG13 VAL 132 3.414 45.399 11.574 1112 HG21 VAL 132 HG21 VAL 132 3.361 41.359 13.010 1113 HG22 VAL 132 HG22 VAL 132 2.010 42.473 13.149 1114 HG23 VAL 132 HG23 VAL 132 2.397 41.761 11.567 1115 H GLU 133 H GLU 133 4.729 44.963 9.772 1116 HA GLU 133 HA GLU 133 6.997 46.468 10.766 1117 HB2 GLU 133 HB2 GLU 133 6.686 45.743 7.820 1118 HB3 GLU 133 HB3 GLU 133 7.849 46.901 8.458 1119 HG2 GLU 133 HG2 GLU 133 8.878 45.073 9.850 1120 HG3 GLU 133 HG3 GLU 133 7.792 43.912 9.073 1121 H VAL 134 H VAL 134 6.961 48.731 10.077 1122 HA VAL 134 HA VAL 134 4.305 49.739 9.520 1123 HB VAL 134 HB VAL 134 5.628 50.807 11.196 1124 HG11 VAL 134 HG11 VAL 134 7.893 50.634 10.191 1125 HG12 VAL 134 HG12 VAL 134 7.446 51.867 8.997 1126 HG13 VAL 134 HG13 VAL 134 7.489 52.276 10.723 1127 HG21 VAL 134 HG21 VAL 134 5.035 53.070 10.613 1128 HG22 VAL 134 HG22 VAL 134 5.024 52.684 8.884 1129 HG23 VAL 134 HG23 VAL 134 3.815 51.956 9.945 1130 H GLU 135 H GLU 135 4.541 48.326 7.556 1131 HA GLU 135 HA GLU 135 4.171 48.236 5.375 1132 HB2 GLU 135 HB2 GLU 135 3.864 51.234 5.439 1133 HB3 GLU 135 HB3 GLU 135 3.160 50.133 4.266 1134 HG2 GLU 135 HG2 GLU 135 2.452 50.353 7.222 1135 HG3 GLU 135 HG3 GLU 135 1.496 50.929 5.875 1136 H ARG 136 H ARG 136 6.896 48.365 6.036 1137 HA ARG 136 HA ARG 136 8.457 49.880 4.124 1138 HB2 ARG 136 HB2 ARG 136 9.144 47.416 5.792 1139 HB3 ARG 136 HB3 ARG 136 10.313 48.367 4.886 1140 HG2 ARG 136 HG2 ARG 136 8.646 49.413 7.220 1141 HG3 ARG 136 HG3 ARG 136 10.332 48.896 7.289 1142 HD2 ARG 136 HD2 ARG 136 10.913 50.686 5.617 1143 HD3 ARG 136 HD3 ARG 136 9.239 51.235 5.667 1144 HE ARG 136 HE ARG 136 9.591 52.236 7.714 1145 HH11 ARG 136 HH11 ARG 136 12.446 50.300 7.052 1146 HH12 ARG 136 HH12 ARG 136 13.317 51.015 8.388 1147 HH21 ARG 136 HH21 ARG 136 12.398 52.518 9.641 1148 HH22 ARG 136 HH22 ARG 136 10.764 53.070 9.372 Start of MODEL 18 1 H1 MET 1 H1 MET 1 13.657 -10.764 -18.286 2 H2 MET 1 H2 MET 1 12.574 -11.142 -17.117 3 H3 MET 1 H3 MET 1 12.107 -10.224 -18.382 4 HA MET 1 HA MET 1 14.038 -9.438 -16.311 5 HB2 MET 1 HB2 MET 1 12.956 -7.837 -18.675 6 HB3 MET 1 HB3 MET 1 13.876 -7.153 -17.336 7 HG2 MET 1 HG2 MET 1 15.817 -8.576 -17.911 8 HG3 MET 1 HG3 MET 1 14.903 -9.290 -19.242 9 HE1 MET 1 HE1 MET 1 15.257 -5.419 -18.081 10 HE2 MET 1 HE2 MET 1 16.855 -6.194 -17.901 11 HE3 MET 1 HE3 MET 1 16.593 -4.966 -19.158 12 H SER 2 H SER 2 13.283 -7.760 -14.881 13 HA SER 2 HA SER 2 11.883 -6.976 -13.314 14 HB2 SER 2 HB2 SER 2 11.000 -5.738 -15.300 15 HB3 SER 2 HB3 SER 2 9.697 -6.931 -15.406 16 HG SER 2 HG SER 2 9.159 -5.043 -14.189 17 H ARG 3 H ARG 3 9.450 -7.296 -12.383 18 HA ARG 3 HA ARG 3 8.638 -10.107 -12.204 19 HB2 ARG 3 HB2 ARG 3 9.124 -10.409 -9.853 20 HB3 ARG 3 HB3 ARG 3 10.619 -10.041 -10.701 21 HG2 ARG 3 HG2 ARG 3 10.466 -7.665 -9.894 22 HG3 ARG 3 HG3 ARG 3 9.000 -8.096 -8.994 23 HD2 ARG 3 HD2 ARG 3 10.314 -9.825 -7.743 24 HD3 ARG 3 HD3 ARG 3 11.762 -9.323 -8.610 25 HE ARG 3 HE ARG 3 11.802 -7.253 -7.443 26 HH11 ARG 3 HH11 ARG 3 9.180 -9.250 -6.201 27 HH12 ARG 3 HH12 ARG 3 9.015 -8.254 -4.777 28 HH21 ARG 3 HH21 ARG 3 11.513 -6.075 -5.610 29 HH22 ARG 3 HH22 ARG 3 10.289 -6.537 -4.455 30 H ASP 4 H ASP 4 6.852 -10.401 -10.629 31 HA ASP 4 HA ASP 4 4.819 -8.325 -10.956 32 HB2 ASP 4 HB2 ASP 4 4.686 -11.013 -9.550 33 HB3 ASP 4 HB3 ASP 4 3.317 -9.960 -9.910 34 H ALA 5 H ALA 5 6.685 -7.063 -9.559 35 HA ALA 5 HA ALA 5 6.083 -6.942 -6.715 36 HB1 ALA 5 HB1 ALA 5 8.223 -6.118 -7.609 37 HB2 ALA 5 HB2 ALA 5 7.370 -4.918 -8.606 38 HB3 ALA 5 HB3 ALA 5 7.330 -4.796 -6.834 39 HA PRO 6 HA PRO 6 2.198 -4.890 -7.398 40 HB2 PRO 6 HB2 PRO 6 1.486 -4.144 -4.874 41 HB3 PRO 6 HB3 PRO 6 1.689 -5.867 -5.312 42 HG2 PRO 6 HG2 PRO 6 3.694 -4.043 -3.946 43 HG3 PRO 6 HG3 PRO 6 3.198 -5.693 -3.466 44 HD2 PRO 6 HD2 PRO 6 5.444 -5.121 -4.993 45 HD3 PRO 6 HD3 PRO 6 4.541 -6.677 -5.107 46 H ILE 7 H ILE 7 1.076 -2.686 -7.007 47 HA ILE 7 HA ILE 7 2.824 -0.516 -7.591 48 HB ILE 7 HB ILE 7 -0.065 -0.341 -6.643 49 HG12 ILE 7 HG12 ILE 7 -0.192 -1.811 -8.501 50 HG13 ILE 7 HG13 ILE 7 -0.719 -0.231 -9.043 51 HG21 ILE 7 HG21 ILE 7 -0.101 1.777 -7.953 52 HG22 ILE 7 HG22 ILE 7 1.027 1.837 -6.605 53 HG23 ILE 7 HG23 ILE 7 1.641 1.610 -8.256 54 HD11 ILE 7 HD11 ILE 7 0.648 -1.269 -10.753 55 HD12 ILE 7 HD12 ILE 7 1.544 0.118 -10.103 56 HD13 ILE 7 HD13 ILE 7 1.976 -1.541 -9.610 57 H LYS 8 H LYS 8 3.820 0.890 -6.375 58 HA LYS 8 HA LYS 8 3.462 0.779 -3.404 59 HB2 LYS 8 HB2 LYS 8 5.940 0.463 -5.100 60 HB3 LYS 8 HB3 LYS 8 6.071 1.043 -3.451 61 HG2 LYS 8 HG2 LYS 8 4.492 -1.493 -3.928 62 HG3 LYS 8 HG3 LYS 8 6.243 -1.537 -4.058 63 HD2 LYS 8 HD2 LYS 8 5.617 -2.198 -1.842 64 HD3 LYS 8 HD3 LYS 8 6.508 -0.677 -1.768 65 HE2 LYS 8 HE2 LYS 8 4.475 0.588 -1.341 66 HE3 LYS 8 HE3 LYS 8 3.471 -0.864 -1.633 67 HZ1 LYS 8 HZ1 LYS 8 3.782 -0.552 0.732 68 HZ2 LYS 8 HZ2 LYS 8 4.674 -1.853 0.323 69 HZ3 LYS 8 HZ3 LYS 8 5.407 -0.403 0.567 70 H ALA 9 H ALA 9 2.339 2.595 -3.249 71 HA ALA 9 HA ALA 9 4.030 5.052 -3.214 72 HB1 ALA 9 HB1 ALA 9 2.014 6.370 -3.245 73 HB2 ALA 9 HB2 ALA 9 2.230 5.481 -4.785 74 HB3 ALA 9 HB3 ALA 9 1.025 4.925 -3.586 75 H ASP 10 H ASP 10 4.803 4.005 -1.402 76 HA ASP 10 HA ASP 10 3.318 2.968 0.747 77 HB2 ASP 10 HB2 ASP 10 6.049 4.178 1.046 78 HB3 ASP 10 HB3 ASP 10 5.385 2.720 1.839 79 H LYS 11 H LYS 11 4.013 6.197 0.058 80 HA LYS 11 HA LYS 11 3.873 8.245 1.041 81 HB2 LYS 11 HB2 LYS 11 2.021 6.829 2.999 82 HB3 LYS 11 HB3 LYS 11 2.497 8.477 3.207 83 HG2 LYS 11 HG2 LYS 11 0.756 9.073 1.975 84 HG3 LYS 11 HG3 LYS 11 1.657 8.546 0.564 85 HD2 LYS 11 HD2 LYS 11 0.503 6.430 0.540 86 HD3 LYS 11 HD3 LYS 11 -0.181 6.704 2.155 87 HE2 LYS 11 HE2 LYS 11 -1.455 8.657 1.348 88 HE3 LYS 11 HE3 LYS 11 -0.735 8.491 -0.256 89 HZ1 LYS 11 HZ1 LYS 11 -2.505 6.462 1.004 90 HZ2 LYS 11 HZ2 LYS 11 -2.939 7.479 -0.185 91 HZ3 LYS 11 HZ3 LYS 11 -1.830 6.328 -0.474 92 H ASP 12 H ASP 12 5.089 9.578 2.209 93 HA ASP 12 HA ASP 12 6.241 8.863 4.773 94 HB2 ASP 12 HB2 ASP 12 7.767 7.937 2.853 95 HB3 ASP 12 HB3 ASP 12 8.167 9.623 2.558 96 H TYR 13 H TYR 13 7.536 10.812 5.614 97 HA TYR 13 HA TYR 13 7.357 12.924 6.421 98 HB2 TYR 13 HB2 TYR 13 7.423 13.752 3.513 99 HB3 TYR 13 HB3 TYR 13 8.083 14.600 4.903 100 HD1 TYR 13 HD1 TYR 13 8.810 12.375 2.218 101 HD2 TYR 13 HD2 TYR 13 9.996 13.424 6.229 102 HE1 TYR 13 HE1 TYR 13 11.041 11.342 1.826 103 HE2 TYR 13 HE2 TYR 13 12.233 12.400 5.834 104 HH TYR 13 HH TYR 13 13.089 10.883 2.711 105 H SER 14 H SER 14 6.004 14.960 4.391 106 HA SER 14 HA SER 14 3.518 15.424 5.602 107 HB2 SER 14 HB2 SER 14 3.032 16.817 3.632 108 HB3 SER 14 HB3 SER 14 4.761 16.966 4.011 109 HG SER 14 HG SER 14 4.415 16.649 1.801 110 H GLN 15 H GLN 15 4.174 12.813 3.493 111 HA GLN 15 HA GLN 15 1.349 12.451 2.774 112 HB2 GLN 15 HB2 GLN 15 3.564 10.571 2.066 113 HB3 GLN 15 HB3 GLN 15 1.997 10.780 1.303 114 HG2 GLN 15 HG2 GLN 15 4.277 12.793 1.164 115 HG3 GLN 15 HG3 GLN 15 3.845 11.632 -0.075 116 HE21 GLN 15 HE21 GLN 15 2.314 14.853 -1.089 117 HE22 GLN 15 HE22 GLN 15 3.950 14.268 -0.805 118 H ILE 16 H ILE 16 3.503 11.458 5.336 119 HA ILE 16 HA ILE 16 2.203 9.087 6.274 120 HB ILE 16 HB ILE 16 3.382 11.444 7.823 121 HG12 ILE 16 HG12 ILE 16 4.608 8.732 7.251 122 HG13 ILE 16 HG13 ILE 16 4.817 10.148 6.218 123 HG21 ILE 16 HG21 ILE 16 1.946 10.339 9.387 124 HG22 ILE 16 HG22 ILE 16 2.460 8.727 8.823 125 HG23 ILE 16 HG23 ILE 16 3.569 9.764 9.733 126 HD11 ILE 16 HD11 ILE 16 6.742 9.957 7.646 127 HD12 ILE 16 HD12 ILE 16 5.831 11.428 8.020 128 HD13 ILE 16 HD13 ILE 16 5.733 10.011 9.102 129 H LEU 17 H LEU 17 1.564 12.514 6.592 130 HA LEU 17 HA LEU 17 -0.620 12.439 8.392 131 HB2 LEU 17 HB2 LEU 17 -0.132 14.368 6.157 132 HB3 LEU 17 HB3 LEU 17 -0.856 14.692 7.760 133 HG LEU 17 HG LEU 17 2.077 14.289 7.055 134 HD11 LEU 17 HD11 LEU 17 2.255 16.631 7.778 135 HD12 LEU 17 HD12 LEU 17 1.145 16.427 6.414 136 HD13 LEU 17 HD13 LEU 17 0.508 16.703 8.048 137 HD21 LEU 17 HD21 LEU 17 1.965 13.369 9.202 138 HD22 LEU 17 HD22 LEU 17 2.506 15.017 9.453 139 HD23 LEU 17 HD23 LEU 17 0.821 14.607 9.803 140 H LYS 18 H LYS 18 -0.501 11.513 5.024 141 HA LYS 18 HA LYS 18 -3.340 11.696 4.441 142 HB2 LYS 18 HB2 LYS 18 -1.272 10.032 3.021 143 HB3 LYS 18 HB3 LYS 18 -2.864 10.443 2.441 144 HG2 LYS 18 HG2 LYS 18 -0.839 12.607 3.041 145 HG3 LYS 18 HG3 LYS 18 -0.798 11.684 1.528 146 HD2 LYS 18 HD2 LYS 18 -3.128 12.434 1.038 147 HD3 LYS 18 HD3 LYS 18 -3.158 13.334 2.573 148 HE2 LYS 18 HE2 LYS 18 -1.251 14.725 1.805 149 HE3 LYS 18 HE3 LYS 18 -1.182 13.818 0.288 150 HZ1 LYS 18 HZ1 LYS 18 -3.423 14.629 -0.219 151 HZ2 LYS 18 HZ2 LYS 18 -3.482 15.469 1.182 152 HZ3 LYS 18 HZ3 LYS 18 -2.412 15.883 0.029 153 H GLU 19 H GLU 19 -1.017 9.207 5.406 154 HA GLU 19 HA GLU 19 -2.996 7.096 5.115 155 HB2 GLU 19 HB2 GLU 19 -1.311 5.579 5.122 156 HB3 GLU 19 HB3 GLU 19 -0.510 6.986 4.421 157 HG2 GLU 19 HG2 GLU 19 0.523 7.480 6.629 158 HG3 GLU 19 HG3 GLU 19 -0.283 6.062 7.319 159 H GLU 20 H GLU 20 -1.335 8.640 7.871 160 HA GLU 20 HA GLU 20 -2.462 6.719 9.781 161 HB2 GLU 20 HB2 GLU 20 -0.892 9.303 10.108 162 HB3 GLU 20 HB3 GLU 20 -1.433 8.324 11.468 163 HG2 GLU 20 HG2 GLU 20 0.340 7.335 9.208 164 HG3 GLU 20 HG3 GLU 20 0.921 7.882 10.786 165 H PHE 21 H PHE 21 -3.397 9.922 8.633 166 HA PHE 21 HA PHE 21 -5.138 10.768 10.614 167 HB2 PHE 21 HB2 PHE 21 -4.727 12.136 8.725 168 HB3 PHE 21 HB3 PHE 21 -5.402 10.959 7.607 169 HD1 PHE 21 HD1 PHE 21 -6.351 13.061 10.582 170 HD2 PHE 21 HD2 PHE 21 -7.665 11.180 6.932 171 HE1 PHE 21 HE1 PHE 21 -8.578 14.141 10.825 172 HE2 PHE 21 HE2 PHE 21 -9.887 12.258 7.175 173 HZ PHE 21 HZ PHE 21 -10.351 13.731 9.127 174 HA PRO 22 HA PRO 22 -8.772 7.905 9.306 175 HB2 PRO 22 HB2 PRO 22 -8.017 5.537 8.058 176 HB3 PRO 22 HB3 PRO 22 -8.794 6.953 7.256 177 HG2 PRO 22 HG2 PRO 22 -5.902 6.113 7.367 178 HG3 PRO 22 HG3 PRO 22 -6.789 6.821 5.984 179 HD2 PRO 22 HD2 PRO 22 -5.141 8.336 7.504 180 HD3 PRO 22 HD3 PRO 22 -6.672 8.992 6.882 181 H LYS 23 H LYS 23 -5.581 6.300 9.752 182 HA LYS 23 HA LYS 23 -6.481 4.072 11.247 183 HB2 LYS 23 HB2 LYS 23 -3.787 5.446 11.520 184 HB3 LYS 23 HB3 LYS 23 -4.167 3.787 11.973 185 HG2 LYS 23 HG2 LYS 23 -4.373 4.892 9.164 186 HG3 LYS 23 HG3 LYS 23 -2.955 4.041 9.781 187 HD2 LYS 23 HD2 LYS 23 -4.245 1.984 10.000 188 HD3 LYS 23 HD3 LYS 23 -5.748 2.830 9.550 189 HE2 LYS 23 HE2 LYS 23 -4.762 3.435 7.351 190 HE3 LYS 23 HE3 LYS 23 -3.276 2.577 7.783 191 HZ1 LYS 23 HZ1 LYS 23 -4.738 1.194 6.430 192 HZ2 LYS 23 HZ2 LYS 23 -4.563 0.522 7.900 193 HZ3 LYS 23 HZ3 LYS 23 -5.944 1.300 7.515 194 H ILE 24 H ILE 24 -5.633 7.306 12.347 195 HA ILE 24 HA ILE 24 -6.532 6.615 15.092 196 HB ILE 24 HB ILE 24 -4.550 7.360 15.439 197 HG12 ILE 24 HG12 ILE 24 -6.112 8.847 16.709 198 HG13 ILE 24 HG13 ILE 24 -4.463 9.312 16.569 199 HG21 ILE 24 HG21 ILE 24 -3.395 9.327 14.335 200 HG22 ILE 24 HG22 ILE 24 -3.618 7.863 13.382 201 HG23 ILE 24 HG23 ILE 24 -4.696 9.255 13.117 202 HD11 ILE 24 HD11 ILE 24 -5.242 11.339 16.122 203 HD12 ILE 24 HD12 ILE 24 -5.551 10.778 14.476 204 HD13 ILE 24 HD13 ILE 24 -6.859 10.741 15.658 205 H ASP 25 H ASP 25 -7.920 8.205 12.338 206 HA ASP 25 HA ASP 25 -9.742 9.847 13.780 207 HB2 ASP 25 HB2 ASP 25 -9.507 9.816 11.327 208 HB3 ASP 25 HB3 ASP 25 -10.188 8.185 11.268 209 H SER 26 H SER 26 -9.663 6.351 13.255 210 HA SER 26 HA SER 26 -12.099 5.561 14.517 211 HB2 SER 26 HB2 SER 26 -10.616 4.087 13.180 212 HB3 SER 26 HB3 SER 26 -9.381 4.198 14.449 213 HG SER 26 HG SER 26 -11.952 3.001 14.585 214 H LEU 27 H LEU 27 -8.996 6.603 15.971 215 HA LEU 27 HA LEU 27 -9.779 5.844 18.673 216 HB2 LEU 27 HB2 LEU 27 -7.472 5.672 18.316 217 HB3 LEU 27 HB3 LEU 27 -7.392 7.154 17.387 218 HG LEU 27 HG LEU 27 -7.839 8.498 19.410 219 HD11 LEU 27 HD11 LEU 27 -7.602 7.392 21.632 220 HD12 LEU 27 HD12 LEU 27 -8.994 6.728 20.785 221 HD13 LEU 27 HD13 LEU 27 -7.484 5.802 20.846 222 HD21 LEU 27 HD21 LEU 27 -5.474 6.578 19.678 223 HD22 LEU 27 HD22 LEU 27 -5.493 8.039 18.684 224 HD23 LEU 27 HD23 LEU 27 -5.617 8.177 20.439 225 H ALA 28 H ALA 28 -9.341 8.904 16.837 226 HA ALA 28 HA ALA 28 -10.287 10.677 18.756 227 HB1 ALA 28 HB1 ALA 28 -10.618 10.871 15.729 228 HB2 ALA 28 HB2 ALA 28 -10.598 12.232 16.874 229 HB3 ALA 28 HB3 ALA 28 -9.130 11.272 16.611 230 H GLN 29 H GLN 29 -12.244 8.624 16.696 231 HA GLN 29 HA GLN 29 -14.796 9.777 17.367 232 HB2 GLN 29 HB2 GLN 29 -13.913 7.081 16.321 233 HB3 GLN 29 HB3 GLN 29 -15.605 7.397 16.672 234 HG2 GLN 29 HG2 GLN 29 -13.961 9.132 14.782 235 HG3 GLN 29 HG3 GLN 29 -14.910 7.746 14.269 236 HE21 GLN 29 HE21 GLN 29 -17.074 10.673 13.678 237 HE22 GLN 29 HE22 GLN 29 -15.586 9.999 13.017 238 H ASN 30 H ASN 30 -12.658 8.250 19.454 239 HA ASN 30 HA ASN 30 -14.770 7.453 21.363 240 HB2 ASN 30 HB2 ASN 30 -12.258 5.954 20.511 241 HB3 ASN 30 HB3 ASN 30 -13.202 5.536 21.939 242 HD21 ASN 30 HD21 ASN 30 -14.512 4.232 18.365 243 HD22 ASN 30 HD22 ASN 30 -13.003 5.126 18.464 244 H ASP 31 H ASP 31 -11.297 8.245 21.088 245 HA ASP 31 HA ASP 31 -11.322 9.801 23.608 246 HB2 ASP 31 HB2 ASP 31 -9.467 7.470 23.018 247 HB3 ASP 31 HB3 ASP 31 -9.122 8.710 24.222 248 H CYS 32 H CYS 32 -11.418 11.380 21.727 249 HA CYS 32 HA CYS 32 -9.129 11.792 20.081 250 HB2 CYS 32 HB2 CYS 32 -10.099 14.090 19.778 251 HB3 CYS 32 HB3 CYS 32 -11.269 12.796 19.501 252 HG CYS 32 HG CYS 32 -12.644 13.000 21.599 253 H ASN 33 H ASN 33 -9.542 12.453 23.455 254 HA ASN 33 HA ASN 33 -7.492 14.423 23.810 255 HB2 ASN 33 HB2 ASN 33 -7.600 13.728 26.169 256 HB3 ASN 33 HB3 ASN 33 -9.199 14.018 25.507 257 HD21 ASN 33 HD21 ASN 33 -8.545 10.511 27.246 258 HD22 ASN 33 HD22 ASN 33 -7.527 11.923 27.475 259 H SER 34 H SER 34 -7.381 10.956 23.197 260 HA SER 34 HA SER 34 -4.435 10.866 23.634 261 HB2 SER 34 HB2 SER 34 -6.448 8.782 22.771 262 HB3 SER 34 HB3 SER 34 -4.706 8.486 22.943 263 HG SER 34 HG SER 34 -4.888 8.905 25.135 264 H ALA 35 H ALA 35 -6.829 10.972 20.983 265 HA ALA 35 HA ALA 35 -5.161 10.330 18.787 266 HB1 ALA 35 HB1 ALA 35 -7.479 12.290 19.043 267 HB2 ALA 35 HB2 ALA 35 -6.852 11.789 17.536 268 HB3 ALA 35 HB3 ALA 35 -7.602 10.554 18.560 269 H LEU 36 H LEU 36 -5.531 13.478 20.450 270 HA LEU 36 HA LEU 36 -3.978 14.964 18.622 271 HB2 LEU 36 HB2 LEU 36 -4.010 16.687 20.271 272 HB3 LEU 36 HB3 LEU 36 -5.508 15.789 20.399 273 HG LEU 36 HG LEU 36 -4.212 14.494 22.338 274 HD11 LEU 36 HD11 LEU 36 -2.742 16.000 23.622 275 HD12 LEU 36 HD12 LEU 36 -2.029 15.714 22.032 276 HD13 LEU 36 HD13 LEU 36 -2.869 17.239 22.352 277 HD21 LEU 36 HD21 LEU 36 -6.268 15.851 22.571 278 HD22 LEU 36 HD22 LEU 36 -5.162 16.089 23.937 279 HD23 LEU 36 HD23 LEU 36 -5.288 17.321 22.658 280 H ASP 37 H ASP 37 -2.963 12.805 21.162 281 HA ASP 37 HA ASP 37 -0.116 13.504 21.016 282 HB2 ASP 37 HB2 ASP 37 -1.521 12.583 23.055 283 HB3 ASP 37 HB3 ASP 37 -1.310 11.014 22.261 284 H GLN 38 H GLN 38 -1.984 12.126 18.768 285 HA GLN 38 HA GLN 38 0.244 10.461 17.804 286 HB2 GLN 38 HB2 GLN 38 -2.692 10.186 17.152 287 HB3 GLN 38 HB3 GLN 38 -1.379 9.169 16.522 288 HG2 GLN 38 HG2 GLN 38 -0.897 8.751 19.103 289 HG3 GLN 38 HG3 GLN 38 -2.568 9.288 19.309 290 HE21 GLN 38 HE21 GLN 38 -2.674 5.600 19.104 291 HE22 GLN 38 HE22 GLN 38 -2.106 6.822 20.233 292 H LEU 39 H LEU 39 -2.467 12.585 16.487 293 HA LEU 39 HA LEU 39 -0.934 12.996 14.081 294 HB2 LEU 39 HB2 LEU 39 -3.154 14.769 15.169 295 HB3 LEU 39 HB3 LEU 39 -2.484 14.807 13.539 296 HG LEU 39 HG LEU 39 -4.128 12.633 14.815 297 HD11 LEU 39 HD11 LEU 39 -5.344 14.570 13.900 298 HD12 LEU 39 HD12 LEU 39 -4.588 14.303 12.314 299 HD13 LEU 39 HD13 LEU 39 -5.692 13.089 13.003 300 HD21 LEU 39 HD21 LEU 39 -2.452 11.461 13.435 301 HD22 LEU 39 HD22 LEU 39 -3.989 11.451 12.577 302 HD23 LEU 39 HD23 LEU 39 -2.722 12.594 12.091 303 H LEU 40 H LEU 40 -1.067 15.118 17.069 304 HA LEU 40 HA LEU 40 0.583 17.063 15.604 305 HB2 LEU 40 HB2 LEU 40 -0.091 17.177 18.537 306 HB3 LEU 40 HB3 LEU 40 0.572 18.439 17.529 307 HG LEU 40 HG LEU 40 -1.528 19.249 17.482 308 HD11 LEU 40 HD11 LEU 40 -2.230 17.045 15.521 309 HD12 LEU 40 HD12 LEU 40 -2.982 18.622 15.702 310 HD13 LEU 40 HD13 LEU 40 -1.310 18.498 15.119 311 HD21 LEU 40 HD21 LEU 40 -2.833 16.586 17.794 312 HD22 LEU 40 HD22 LEU 40 -2.161 17.496 19.172 313 HD23 LEU 40 HD23 LEU 40 -3.419 18.227 18.193 314 H VAL 41 H VAL 41 1.280 14.202 17.202 315 HA VAL 41 HA VAL 41 4.023 14.744 17.966 316 HB VAL 41 HB VAL 41 2.397 12.278 17.397 317 HG11 VAL 41 HG11 VAL 41 4.318 10.884 18.204 318 HG12 VAL 41 HG12 VAL 41 4.640 11.620 16.638 319 HG13 VAL 41 HG13 VAL 41 5.372 12.313 18.105 320 HG21 VAL 41 HG21 VAL 41 3.831 13.404 19.858 321 HG22 VAL 41 HG22 VAL 41 2.079 13.420 19.563 322 HG23 VAL 41 HG23 VAL 41 2.923 11.884 19.831 323 H LEU 42 H LEU 42 2.388 13.952 14.932 324 HA LEU 42 HA LEU 42 4.728 13.569 13.328 325 HB2 LEU 42 HB2 LEU 42 2.060 14.793 12.582 326 HB3 LEU 42 HB3 LEU 42 3.267 14.225 11.456 327 HG LEU 42 HG LEU 42 2.090 12.318 13.518 328 HD11 LEU 42 HD11 LEU 42 0.326 11.630 12.216 329 HD12 LEU 42 HD12 LEU 42 0.231 13.394 12.077 330 HD13 LEU 42 HD13 LEU 42 0.895 12.422 10.754 331 HD21 LEU 42 HD21 LEU 42 2.736 10.662 11.780 332 HD22 LEU 42 HD22 LEU 42 3.351 11.999 10.761 333 HD23 LEU 42 HD23 LEU 42 4.118 11.625 12.312 334 H GLU 43 H GLU 43 2.750 16.527 13.779 335 HA GLU 43 HA GLU 43 4.446 18.500 12.753 336 HB2 GLU 43 HB2 GLU 43 2.433 19.250 13.561 337 HB3 GLU 43 HB3 GLU 43 2.555 18.458 15.100 338 HG2 GLU 43 HG2 GLU 43 4.493 20.641 14.392 339 HG3 GLU 43 HG3 GLU 43 2.866 21.122 14.703 340 H LYS 44 H LYS 44 4.733 17.056 15.993 341 HA LYS 44 HA LYS 44 6.993 18.572 16.859 342 HB2 LYS 44 HB2 LYS 44 5.442 17.271 18.324 343 HB3 LYS 44 HB3 LYS 44 6.071 15.778 17.658 344 HG2 LYS 44 HG2 LYS 44 7.064 16.062 19.788 345 HG3 LYS 44 HG3 LYS 44 8.338 16.327 18.599 346 HD2 LYS 44 HD2 LYS 44 8.148 18.776 18.917 347 HD3 LYS 44 HD3 LYS 44 6.766 18.532 20.014 348 HE2 LYS 44 HE2 LYS 44 8.255 17.169 21.515 349 HE3 LYS 44 HE3 LYS 44 9.629 17.559 20.472 350 HZ1 LYS 44 HZ1 LYS 44 9.242 19.922 21.011 351 HZ2 LYS 44 HZ2 LYS 44 7.996 19.525 21.985 352 HZ3 LYS 44 HZ3 LYS 44 9.502 19.060 22.364 353 H LYS 45 H LYS 45 6.901 15.252 15.581 354 HA LYS 45 HA LYS 45 9.712 14.819 15.494 355 HB2 LYS 45 HB2 LYS 45 7.944 13.053 15.380 356 HB3 LYS 45 HB3 LYS 45 7.447 13.652 13.805 357 HG2 LYS 45 HG2 LYS 45 8.691 11.668 13.496 358 HG3 LYS 45 HG3 LYS 45 9.661 12.983 12.855 359 HD2 LYS 45 HD2 LYS 45 10.115 11.963 15.686 360 HD3 LYS 45 HD3 LYS 45 10.723 11.055 14.299 361 HE2 LYS 45 HE2 LYS 45 11.996 13.002 13.508 362 HE3 LYS 45 HE3 LYS 45 11.440 13.961 14.885 363 HZ1 LYS 45 HZ1 LYS 45 13.076 11.491 15.080 364 HZ2 LYS 45 HZ2 LYS 45 13.631 13.000 15.313 365 HZ3 LYS 45 HZ3 LYS 45 12.558 12.357 16.358 366 H THR 46 H THR 46 7.503 16.022 12.991 367 HA THR 46 HA THR 46 9.441 16.248 10.888 368 HB THR 46 HB THR 46 7.764 17.660 9.769 369 HG1 THR 46 HG1 THR 46 6.179 17.120 12.024 370 HG21 THR 46 HG21 THR 46 7.444 15.412 9.336 371 HG22 THR 46 HG22 THR 46 6.897 15.027 10.982 372 HG23 THR 46 HG23 THR 46 5.852 15.985 9.905 373 H ARG 47 H ARG 47 8.250 18.798 13.226 374 HA ARG 47 HA ARG 47 10.030 20.736 12.056 375 HB2 ARG 47 HB2 ARG 47 8.239 21.563 13.589 376 HB3 ARG 47 HB3 ARG 47 8.983 20.710 14.941 377 HG2 ARG 47 HG2 ARG 47 9.590 23.060 15.039 378 HG3 ARG 47 HG3 ARG 47 11.031 22.140 14.682 379 HD2 ARG 47 HD2 ARG 47 10.599 22.672 12.180 380 HD3 ARG 47 HD3 ARG 47 9.327 23.755 12.741 381 HE ARG 47 HE ARG 47 10.936 25.260 13.481 382 HH11 ARG 47 HH11 ARG 47 12.713 22.236 12.842 383 HH12 ARG 47 HH12 ARG 47 14.193 23.118 12.603 384 HH21 ARG 47 HH21 ARG 47 12.911 26.215 13.008 385 HH22 ARG 47 HH22 ARG 47 14.313 25.209 12.765 386 H GLN 48 H GLN 48 10.531 18.414 14.719 387 HA GLN 48 HA GLN 48 13.154 19.386 15.333 388 HB2 GLN 48 HB2 GLN 48 11.727 16.779 15.972 389 HB3 GLN 48 HB3 GLN 48 13.341 17.165 16.584 390 HG2 GLN 48 HG2 GLN 48 10.856 18.874 17.064 391 HG3 GLN 48 HG3 GLN 48 11.524 17.719 18.211 392 HE21 GLN 48 HE21 GLN 48 12.801 21.326 18.743 393 HE22 GLN 48 HE22 GLN 48 11.192 20.791 18.305 394 H ALA 49 H ALA 49 12.109 16.820 13.109 395 HA ALA 49 HA ALA 49 14.752 15.959 12.387 396 HB1 ALA 49 HB1 ALA 49 13.479 14.741 10.630 397 HB2 ALA 49 HB2 ALA 49 12.729 14.556 12.228 398 HB3 ALA 49 HB3 ALA 49 12.024 15.680 11.048 399 H SER 50 H SER 50 13.189 18.873 11.659 400 HA SER 50 HA SER 50 13.219 20.416 10.059 401 HB2 SER 50 HB2 SER 50 15.863 19.278 9.111 402 HB3 SER 50 HB3 SER 50 15.171 20.857 8.695 403 HG SER 50 HG SER 50 15.931 19.935 11.273 404 H ASP 51 H ASP 51 11.912 17.934 9.625 405 HA ASP 51 HA ASP 51 11.537 17.829 6.663 406 HB2 ASP 51 HB2 ASP 51 10.481 16.021 8.872 407 HB3 ASP 51 HB3 ASP 51 10.090 15.868 7.154 408 H LEU 52 H LEU 52 10.970 20.115 8.268 409 HA LEU 52 HA LEU 52 8.429 20.220 9.338 410 HB2 LEU 52 HB2 LEU 52 8.755 22.445 9.704 411 HB3 LEU 52 HB3 LEU 52 10.290 21.596 9.956 412 HG LEU 52 HG LEU 52 9.573 23.340 7.564 413 HD11 LEU 52 HD11 LEU 52 9.909 24.568 9.704 414 HD12 LEU 52 HD12 LEU 52 11.476 23.763 9.914 415 HD13 LEU 52 HD13 LEU 52 11.221 24.891 8.560 416 HD21 LEU 52 HD21 LEU 52 11.134 21.654 6.862 417 HD22 LEU 52 HD22 LEU 52 12.055 23.142 7.106 418 HD23 LEU 52 HD23 LEU 52 12.106 21.852 8.336 419 H ALA 53 H ALA 53 9.325 20.612 6.116 420 HA ALA 53 HA ALA 53 7.085 21.887 4.915 421 HB1 ALA 53 HB1 ALA 53 8.655 19.454 3.959 422 HB2 ALA 53 HB2 ALA 53 7.645 20.502 2.938 423 HB3 ALA 53 HB3 ALA 53 9.117 21.153 3.694 424 H SER 54 H SER 54 7.306 18.821 6.513 425 HA SER 54 HA SER 54 4.589 17.862 5.822 426 HB2 SER 54 HB2 SER 54 6.241 16.832 8.081 427 HB3 SER 54 HB3 SER 54 5.127 15.930 7.053 428 HG SER 54 HG SER 54 7.779 16.802 6.622 429 H SER 55 H SER 55 6.283 18.930 8.827 430 HA SER 55 HA SER 55 4.265 19.315 10.610 431 HB2 SER 55 HB2 SER 55 6.826 20.014 10.667 432 HB3 SER 55 HB3 SER 55 6.212 21.586 10.181 433 HG SER 55 HG SER 55 5.934 20.204 12.574 434 H LYS 56 H LYS 56 5.014 21.505 7.953 435 HA LYS 56 HA LYS 56 3.177 23.632 8.361 436 HB2 LYS 56 HB2 LYS 56 4.380 22.380 5.867 437 HB3 LYS 56 HB3 LYS 56 3.220 23.704 5.749 438 HG2 LYS 56 HG2 LYS 56 4.616 25.147 7.125 439 HG3 LYS 56 HG3 LYS 56 5.802 23.854 7.354 440 HD2 LYS 56 HD2 LYS 56 6.649 25.377 5.701 441 HD3 LYS 56 HD3 LYS 56 6.228 23.871 4.880 442 HE2 LYS 56 HE2 LYS 56 4.077 24.882 4.122 443 HE3 LYS 56 HE3 LYS 56 4.487 26.385 4.959 444 HZ1 LYS 56 HZ1 LYS 56 6.031 25.222 2.706 445 HZ2 LYS 56 HZ2 LYS 56 5.035 26.496 2.607 446 HZ3 LYS 56 HZ3 LYS 56 6.402 26.612 3.480 447 H GLU 57 H GLU 57 2.458 20.438 7.037 448 HA GLU 57 HA GLU 57 -0.291 21.199 6.249 449 HB2 GLU 57 HB2 GLU 57 1.283 18.627 6.157 450 HB3 GLU 57 HB3 GLU 57 -0.398 18.742 5.645 451 HG2 GLU 57 HG2 GLU 57 1.937 20.322 4.478 452 HG3 GLU 57 HG3 GLU 57 1.259 18.858 3.774 453 H VAL 58 H VAL 58 1.398 19.586 8.899 454 HA VAL 58 HA VAL 58 -0.982 18.610 10.263 455 HB VAL 58 HB VAL 58 1.533 19.392 11.676 456 HG11 VAL 58 HG11 VAL 58 -0.435 17.080 12.078 457 HG12 VAL 58 HG12 VAL 58 0.911 17.485 13.145 458 HG13 VAL 58 HG13 VAL 58 -0.455 18.591 12.995 459 HG21 VAL 58 HG21 VAL 58 2.476 17.150 11.333 460 HG22 VAL 58 HG22 VAL 58 1.140 16.788 10.228 461 HG23 VAL 58 HG23 VAL 58 2.350 18.028 9.818 462 H LEU 59 H LEU 59 0.975 21.511 10.434 463 HA LEU 59 HA LEU 59 -0.111 22.754 12.673 464 HB2 LEU 59 HB2 LEU 59 1.254 23.708 10.189 465 HB3 LEU 59 HB3 LEU 59 0.629 24.901 11.334 466 HG LEU 59 HG LEU 59 2.443 22.649 12.274 467 HD11 LEU 59 HD11 LEU 59 3.204 25.420 11.261 468 HD12 LEU 59 HD12 LEU 59 4.289 24.290 12.106 469 HD13 LEU 59 HD13 LEU 59 3.637 23.853 10.524 470 HD21 LEU 59 HD21 LEU 59 2.886 24.279 14.083 471 HD22 LEU 59 HD22 LEU 59 1.772 25.431 13.321 472 HD23 LEU 59 HD23 LEU 59 1.168 23.888 13.974 473 H ALA 60 H ALA 60 -1.490 22.772 9.454 474 HA ALA 60 HA ALA 60 -3.534 24.667 10.141 475 HB1 ALA 60 HB1 ALA 60 -2.663 24.389 7.837 476 HB2 ALA 60 HB2 ALA 60 -3.264 22.712 7.803 477 HB3 ALA 60 HB3 ALA 60 -4.412 24.073 7.862 478 H LYS 61 H LYS 61 -3.269 21.548 11.182 479 HA LYS 61 HA LYS 61 -6.041 21.708 12.070 480 HB2 LYS 61 HB2 LYS 61 -6.796 19.892 11.269 481 HB3 LYS 61 HB3 LYS 61 -5.432 19.949 10.168 482 HG2 LYS 61 HG2 LYS 61 -5.509 18.286 12.724 483 HG3 LYS 61 HG3 LYS 61 -6.016 17.711 11.155 484 HD2 LYS 61 HD2 LYS 61 -3.219 18.607 11.878 485 HD3 LYS 61 HD3 LYS 61 -3.757 16.942 11.711 486 HE2 LYS 61 HE2 LYS 61 -3.667 19.026 9.475 487 HE3 LYS 61 HE3 LYS 61 -2.523 17.706 9.704 488 HZ1 LYS 61 HZ1 LYS 61 -5.403 17.338 9.067 489 HZ2 LYS 61 HZ2 LYS 61 -4.173 17.152 8.025 490 HZ3 LYS 61 HZ3 LYS 61 -4.326 16.127 9.275 491 H ILE 62 H ILE 62 -3.060 21.906 12.981 492 HA ILE 62 HA ILE 62 -2.863 20.741 15.511 493 HB ILE 62 HB ILE 62 -1.555 22.663 14.025 494 HG12 ILE 62 HG12 ILE 62 0.054 22.640 16.084 495 HG13 ILE 62 HG13 ILE 62 -1.037 21.364 16.638 496 HG21 ILE 62 HG21 ILE 62 -2.303 24.146 16.528 497 HG22 ILE 62 HG22 ILE 62 -1.101 24.616 15.305 498 HG23 ILE 62 HG23 ILE 62 -2.782 24.525 14.842 499 HD11 ILE 62 HD11 ILE 62 -0.696 20.481 14.155 500 HD12 ILE 62 HD12 ILE 62 0.762 21.491 14.219 501 HD13 ILE 62 HD13 ILE 62 0.557 20.180 15.395 502 H VAL 63 H VAL 63 -4.914 23.449 14.487 503 HA VAL 63 HA VAL 63 -5.737 24.049 17.228 504 HB VAL 63 HB VAL 63 -5.683 25.706 15.448 505 HG11 VAL 63 HG11 VAL 63 -8.274 24.501 14.422 506 HG12 VAL 63 HG12 VAL 63 -7.450 25.963 13.839 507 HG13 VAL 63 HG13 VAL 63 -6.699 24.374 13.594 508 HG21 VAL 63 HG21 VAL 63 -8.252 25.311 16.948 509 HG22 VAL 63 HG22 VAL 63 -6.805 26.235 17.440 510 HG23 VAL 63 HG23 VAL 63 -7.825 26.805 16.105 511 H ASP 64 H ASP 64 -6.953 21.979 14.733 512 HA ASP 64 HA ASP 64 -9.409 21.352 16.028 513 HB2 ASP 64 HB2 ASP 64 -7.979 19.870 13.782 514 HB3 ASP 64 HB3 ASP 64 -9.618 19.533 14.315 515 H LEU 65 H LEU 65 -6.251 20.168 16.624 516 HA LEU 65 HA LEU 65 -7.457 18.028 18.338 517 HB2 LEU 65 HB2 LEU 65 -5.021 17.815 16.635 518 HB3 LEU 65 HB3 LEU 65 -5.290 16.838 18.087 519 HG LEU 65 HG LEU 65 -7.681 16.390 16.903 520 HD11 LEU 65 HD11 LEU 65 -5.717 16.763 14.609 521 HD12 LEU 65 HD12 LEU 65 -7.352 16.048 14.499 522 HD13 LEU 65 HD13 LEU 65 -7.151 17.752 14.927 523 HD21 LEU 65 HD21 LEU 65 -5.095 14.916 16.395 524 HD22 LEU 65 HD22 LEU 65 -6.249 14.685 17.723 525 HD23 LEU 65 HD23 LEU 65 -6.727 14.287 16.064 526 H LEU 66 H LEU 66 -4.859 20.578 18.316 527 HA LEU 66 HA LEU 66 -4.486 20.088 21.178 528 HB2 LEU 66 HB2 LEU 66 -3.722 22.470 19.494 529 HB3 LEU 66 HB3 LEU 66 -3.239 22.234 21.165 530 HG LEU 66 HG LEU 66 -2.509 20.429 18.865 531 HD11 LEU 66 HD11 LEU 66 -0.268 21.513 19.055 532 HD12 LEU 66 HD12 LEU 66 -1.562 22.605 18.525 533 HD13 LEU 66 HD13 LEU 66 -0.974 22.687 20.190 534 HD21 LEU 66 HD21 LEU 66 -0.752 19.586 20.435 535 HD22 LEU 66 HD22 LEU 66 -1.484 20.564 21.731 536 HD23 LEU 66 HD23 LEU 66 -2.393 19.232 20.992 537 H ALA 67 H ALA 67 -5.592 23.132 19.644 538 HA ALA 67 HA ALA 67 -6.874 24.157 21.920 539 HB1 ALA 67 HB1 ALA 67 -8.123 25.588 20.197 540 HB2 ALA 67 HB2 ALA 67 -6.360 25.561 20.058 541 HB3 ALA 67 HB3 ALA 67 -7.344 24.588 18.949 542 H SER 68 H SER 68 -8.389 22.168 19.440 543 HA SER 68 HA SER 68 -11.052 22.533 20.444 544 HB2 SER 68 HB2 SER 68 -10.417 21.884 18.085 545 HB3 SER 68 HB3 SER 68 -10.110 20.249 18.700 546 HG SER 68 HG SER 68 -12.311 20.301 19.509 547 H ARG 69 H ARG 69 -8.552 20.599 21.685 548 HA ARG 69 HA ARG 69 -10.417 18.703 23.070 549 HB2 ARG 69 HB2 ARG 69 -7.534 18.092 22.420 550 HB3 ARG 69 HB3 ARG 69 -8.812 16.965 22.862 551 HG2 ARG 69 HG2 ARG 69 -8.548 18.476 20.235 552 HG3 ARG 69 HG3 ARG 69 -8.148 16.783 20.495 553 HD2 ARG 69 HD2 ARG 69 -10.420 16.178 20.726 554 HD3 ARG 69 HD3 ARG 69 -10.963 17.850 20.888 555 HE ARG 69 HE ARG 69 -9.752 17.870 18.413 556 HH11 ARG 69 HH11 ARG 69 -12.345 15.830 19.655 557 HH12 ARG 69 HH12 ARG 69 -13.067 15.732 18.067 558 HH21 ARG 69 HH21 ARG 69 -10.693 17.693 16.546 559 HH22 ARG 69 HH22 ARG 69 -12.147 16.728 16.343 560 H ASN 70 H ASN 70 -9.499 21.348 23.897 561 HA ASN 70 HA ASN 70 -8.728 22.518 25.595 562 HB2 ASN 70 HB2 ASN 70 -9.158 20.023 27.248 563 HB3 ASN 70 HB3 ASN 70 -8.949 21.657 27.875 564 HD21 ASN 70 HD21 ASN 70 -12.639 20.649 27.136 565 HD22 ASN 70 HD22 ASN 70 -11.334 19.557 27.578 566 H LYS 71 H LYS 71 -6.647 21.206 23.972 567 HA LYS 71 HA LYS 71 -4.411 21.824 25.802 568 HB2 LYS 71 HB2 LYS 71 -4.308 20.234 23.234 569 HB3 LYS 71 HB3 LYS 71 -2.909 20.657 24.211 570 HG2 LYS 71 HG2 LYS 71 -5.204 18.841 25.037 571 HG3 LYS 71 HG3 LYS 71 -3.579 18.350 24.535 572 HD2 LYS 71 HD2 LYS 71 -2.598 19.477 26.505 573 HD3 LYS 71 HD3 LYS 71 -4.222 19.968 27.045 574 HE2 LYS 71 HE2 LYS 71 -4.909 17.596 27.185 575 HE3 LYS 71 HE3 LYS 71 -3.299 17.090 26.644 576 HZ1 LYS 71 HZ1 LYS 71 -3.478 16.993 29.049 577 HZ2 LYS 71 HZ2 LYS 71 -2.375 18.119 28.652 578 HZ3 LYS 71 HZ3 LYS 71 -3.858 18.570 29.155 579 H TRP 72 H TRP 72 -6.219 23.642 24.482 580 HA TRP 72 HA TRP 72 -5.098 25.318 22.571 581 HB2 TRP 72 HB2 TRP 72 -6.103 27.113 24.368 582 HB3 TRP 72 HB3 TRP 72 -7.040 26.198 23.213 583 HD1 TRP 72 HD1 TRP 72 -9.145 25.378 24.105 584 HE1 TRP 72 HE1 TRP 72 -10.128 24.703 26.359 585 HE3 TRP 72 HE3 TRP 72 -4.958 25.798 27.088 586 HZ2 TRP 72 HZ2 TRP 72 -9.256 24.249 29.031 587 HZ3 TRP 72 HZ3 TRP 72 -5.065 25.130 29.462 588 HH2 TRP 72 HH2 TRP 72 -7.207 24.377 30.460 589 H ASP 73 H ASP 73 -3.778 24.746 25.740 590 HA ASP 73 HA ASP 73 -2.168 27.053 26.066 591 HB2 ASP 73 HB2 ASP 73 -2.723 25.245 27.732 592 HB3 ASP 73 HB3 ASP 73 -1.645 24.156 26.865 593 H ASP 74 H ASP 74 -1.748 24.163 24.028 594 HA ASP 74 HA ASP 74 1.027 24.762 23.428 595 HB2 ASP 74 HB2 ASP 74 -0.911 22.690 22.412 596 HB3 ASP 74 HB3 ASP 74 0.774 22.792 21.896 597 H LEU 75 H LEU 75 -1.971 25.872 21.965 598 HA LEU 75 HA LEU 75 -1.217 26.160 19.232 599 HB2 LEU 75 HB2 LEU 75 -3.247 27.280 21.029 600 HB3 LEU 75 HB3 LEU 75 -2.752 28.331 19.702 601 HG LEU 75 HG LEU 75 -4.765 26.844 19.372 602 HD11 LEU 75 HD11 LEU 75 -2.538 26.878 17.340 603 HD12 LEU 75 HD12 LEU 75 -4.167 26.265 16.993 604 HD13 LEU 75 HD13 LEU 75 -3.966 27.935 17.516 605 HD21 LEU 75 HD21 LEU 75 -4.502 24.567 18.749 606 HD22 LEU 75 HD22 LEU 75 -2.744 24.646 18.888 607 HD23 LEU 75 HD23 LEU 75 -3.769 24.789 20.339 608 H ASN 76 H ASN 76 -0.541 28.206 21.987 609 HA ASN 76 HA ASN 76 0.790 30.393 20.909 610 HB2 ASN 76 HB2 ASN 76 0.204 29.862 23.295 611 HB3 ASN 76 HB3 ASN 76 1.515 28.687 23.342 612 HD21 ASN 76 HD21 ASN 76 3.751 31.849 23.034 613 HD22 ASN 76 HD22 ASN 76 3.391 30.663 21.806 614 H GLU 77 H GLU 77 2.179 27.111 21.312 615 HA GLU 77 HA GLU 77 4.844 27.926 20.496 616 HB2 GLU 77 HB2 GLU 77 4.292 26.039 22.086 617 HB3 GLU 77 HB3 GLU 77 3.666 25.150 20.707 618 HG2 GLU 77 HG2 GLU 77 5.859 24.348 21.072 619 HG3 GLU 77 HG3 GLU 77 5.935 25.329 19.616 620 H GLN 78 H GLN 78 1.987 26.710 18.883 621 HA GLN 78 HA GLN 78 3.246 25.622 16.550 622 HB2 GLN 78 HB2 GLN 78 0.382 26.649 16.762 623 HB3 GLN 78 HB3 GLN 78 1.009 25.389 15.710 624 HG2 GLN 78 HG2 GLN 78 0.590 25.336 18.679 625 HG3 GLN 78 HG3 GLN 78 -0.177 24.302 17.526 626 HE21 GLN 78 HE21 GLN 78 2.831 22.752 19.436 627 HE22 GLN 78 HE22 GLN 78 1.685 23.967 20.019 628 H LEU 79 H LEU 79 1.920 28.792 17.273 629 HA LEU 79 HA LEU 79 2.385 30.062 14.761 630 HB2 LEU 79 HB2 LEU 79 2.567 31.220 17.576 631 HB3 LEU 79 HB3 LEU 79 2.337 32.130 16.086 632 HG LEU 79 HG LEU 79 0.336 30.320 17.477 633 HD11 LEU 79 HD11 LEU 79 0.510 33.290 16.798 634 HD12 LEU 79 HD12 LEU 79 -0.919 32.523 17.473 635 HD13 LEU 79 HD13 LEU 79 0.578 32.534 18.405 636 HD21 LEU 79 HD21 LEU 79 -1.253 30.835 15.639 637 HD22 LEU 79 HD22 LEU 79 0.086 31.593 14.720 638 HD23 LEU 79 HD23 LEU 79 0.088 29.857 15.091 639 H THR 80 H THR 80 4.623 29.219 17.325 640 HA THR 80 HA THR 80 6.823 30.989 16.405 641 HB THR 80 HB THR 80 6.206 29.171 18.714 642 HG1 THR 80 HG1 THR 80 5.788 31.303 18.911 643 HG21 THR 80 HG21 THR 80 9.009 29.961 17.912 644 HG22 THR 80 HG22 THR 80 8.529 29.488 19.567 645 HG23 THR 80 HG23 THR 80 8.354 28.316 18.243 646 H LEU 81 H LEU 81 5.906 27.581 16.391 647 HA LEU 81 HA LEU 81 7.967 26.005 16.104 648 HB2 LEU 81 HB2 LEU 81 5.303 25.795 15.595 649 HB3 LEU 81 HB3 LEU 81 5.924 25.574 13.971 650 HG LEU 81 HG LEU 81 7.587 23.903 15.071 651 HD11 LEU 81 HD11 LEU 81 7.037 24.679 17.436 652 HD12 LEU 81 HD12 LEU 81 5.423 23.991 17.214 653 HD13 LEU 81 HD13 LEU 81 6.837 22.924 17.184 654 HD21 LEU 81 HD21 LEU 81 6.033 22.096 14.862 655 HD22 LEU 81 HD22 LEU 81 4.629 23.177 15.021 656 HD23 LEU 81 HD23 LEU 81 5.697 23.279 13.600 657 H LEU 82 H LEU 82 6.783 27.195 12.988 658 HA LEU 82 HA LEU 82 9.199 26.260 11.704 659 HB2 LEU 82 HB2 LEU 82 7.086 28.111 10.584 660 HB3 LEU 82 HB3 LEU 82 8.180 27.114 9.635 661 HG LEU 82 HG LEU 82 5.983 26.031 11.453 662 HD11 LEU 82 HD11 LEU 82 4.729 25.692 9.351 663 HD12 LEU 82 HD12 LEU 82 5.021 27.399 9.696 664 HD13 LEU 82 HD13 LEU 82 5.998 26.568 8.464 665 HD21 LEU 82 HD21 LEU 82 7.551 24.676 9.217 666 HD22 LEU 82 HD22 LEU 82 7.755 24.380 10.971 667 HD23 LEU 82 HD23 LEU 82 6.236 23.962 10.168 668 H SER 83 H SER 83 8.646 29.122 13.399 669 HA SER 83 HA SER 83 10.408 30.858 11.769 670 HB2 SER 83 HB2 SER 83 8.106 31.541 12.648 671 HB3 SER 83 HB3 SER 83 8.854 31.632 14.237 672 HG SER 83 HG SER 83 9.711 33.030 11.891 673 H LYS 84 H LYS 84 10.815 28.683 14.269 674 HA LYS 84 HA LYS 84 12.294 29.913 16.266 675 HB2 LYS 84 HB2 LYS 84 12.581 27.124 15.085 676 HB3 LYS 84 HB3 LYS 84 13.433 27.636 16.541 677 HG2 LYS 84 HG2 LYS 84 11.376 28.035 17.732 678 HG3 LYS 84 HG3 LYS 84 10.399 27.725 16.286 679 HD2 LYS 84 HD2 LYS 84 11.190 25.402 16.189 680 HD3 LYS 84 HD3 LYS 84 12.268 25.660 17.564 681 HE2 LYS 84 HE2 LYS 84 9.242 26.015 17.702 682 HE3 LYS 84 HE3 LYS 84 10.045 24.471 18.014 683 HZ1 LYS 84 HZ1 LYS 84 11.197 25.420 19.873 684 HZ2 LYS 84 HZ2 LYS 84 10.668 26.933 19.572 685 HZ3 LYS 84 HZ3 LYS 84 9.618 25.792 20.068 686 H LYS 85 H LYS 85 13.607 29.204 13.101 687 HA LYS 85 HA LYS 85 16.120 30.613 13.730 688 HB2 LYS 85 HB2 LYS 85 16.196 27.733 12.718 689 HB3 LYS 85 HB3 LYS 85 17.551 28.864 12.662 690 HG2 LYS 85 HG2 LYS 85 17.447 29.080 15.157 691 HG3 LYS 85 HG3 LYS 85 16.199 27.817 15.184 692 HD2 LYS 85 HD2 LYS 85 17.773 26.233 14.101 693 HD3 LYS 85 HD3 LYS 85 19.028 27.494 14.083 694 HE2 LYS 85 HE2 LYS 85 18.911 27.642 16.567 695 HE3 LYS 85 HE3 LYS 85 17.666 26.390 16.588 696 HZ1 LYS 85 HZ1 LYS 85 19.852 25.461 17.023 697 HZ2 LYS 85 HZ2 LYS 85 19.293 24.853 15.623 698 HZ3 LYS 85 HZ3 LYS 85 20.443 26.011 15.611 699 H HIS 86 H HIS 86 14.753 28.591 11.169 700 HA HIS 86 HA HIS 86 15.215 30.606 9.055 701 HB2 HIS 86 HB2 HIS 86 15.405 28.187 8.585 702 HB3 HIS 86 HB3 HIS 86 13.729 27.942 9.076 703 HD2 HIS 86 HD2 HIS 86 12.238 27.618 7.002 704 HE1 HIS 86 HE1 HIS 86 14.101 30.335 4.286 705 HE2 HIS 86 HE2 HIS 86 12.196 28.675 4.581 706 H GLY 87 H GLY 87 13.082 31.116 7.672 707 HA2 GLY 87 HA2 GLY 87 11.003 32.122 7.545 708 HA3 GLY 87 HA3 GLY 87 10.531 31.115 8.911 709 H GLN 88 H GLN 88 12.946 33.737 8.742 710 HA GLN 88 HA GLN 88 12.091 34.838 11.270 711 HB2 GLN 88 HB2 GLN 88 14.105 35.892 9.239 712 HB3 GLN 88 HB3 GLN 88 13.904 36.461 10.908 713 HG2 GLN 88 HG2 GLN 88 14.441 34.145 11.718 714 HG3 GLN 88 HG3 GLN 88 14.772 33.662 10.054 715 HE21 GLN 88 HE21 GLN 88 18.095 34.382 11.346 716 HE22 GLN 88 HE22 GLN 88 16.852 33.118 11.375 717 H LEU 89 H LEU 89 11.196 35.659 7.984 718 HA LEU 89 HA LEU 89 10.115 38.299 8.658 719 HB2 LEU 89 HB2 LEU 89 10.852 37.489 6.339 720 HB3 LEU 89 HB3 LEU 89 9.363 36.558 6.281 721 HG LEU 89 HG LEU 89 9.713 39.579 6.422 722 HD11 LEU 89 HD11 LEU 89 8.357 37.778 4.378 723 HD12 LEU 89 HD12 LEU 89 8.578 39.539 4.256 724 HD13 LEU 89 HD13 LEU 89 9.989 38.469 4.222 725 HD21 LEU 89 HD21 LEU 89 7.048 38.092 6.571 726 HD22 LEU 89 HD22 LEU 89 7.723 39.212 7.777 727 HD23 LEU 89 HD23 LEU 89 7.254 39.810 6.198 728 H LYS 90 H LYS 90 8.819 37.966 10.495 729 HA LYS 90 HA LYS 90 7.131 35.808 10.902 730 HB2 LYS 90 HB2 LYS 90 7.764 37.533 12.602 731 HB3 LYS 90 HB3 LYS 90 6.551 38.619 11.887 732 HG2 LYS 90 HG2 LYS 90 5.895 37.469 14.000 733 HG3 LYS 90 HG3 LYS 90 4.757 37.311 12.657 734 HD2 LYS 90 HD2 LYS 90 5.201 35.052 12.331 735 HD3 LYS 90 HD3 LYS 90 6.784 35.104 13.133 736 HE2 LYS 90 HE2 LYS 90 5.937 34.887 15.245 737 HE3 LYS 90 HE3 LYS 90 4.514 35.892 14.887 738 HZ1 LYS 90 HZ1 LYS 90 3.543 33.944 13.721 739 HZ2 LYS 90 HZ2 LYS 90 4.812 33.003 14.213 740 HZ3 LYS 90 HZ3 LYS 90 3.818 33.665 15.303 741 H LEU 91 H LEU 91 6.219 38.795 9.108 742 HA LEU 91 HA LEU 91 3.535 38.133 8.884 743 HB2 LEU 91 HB2 LEU 91 4.572 40.347 8.492 744 HB3 LEU 91 HB3 LEU 91 5.121 39.742 6.919 745 HG LEU 91 HG LEU 91 2.911 39.603 6.069 746 HD11 LEU 91 HD11 LEU 91 1.617 38.765 7.957 747 HD12 LEU 91 HD12 LEU 91 1.926 40.260 8.879 748 HD13 LEU 91 HD13 LEU 91 0.905 40.288 7.425 749 HD21 LEU 91 HD21 LEU 91 3.171 42.172 7.677 750 HD22 LEU 91 HD22 LEU 91 3.948 41.834 6.111 751 HD23 LEU 91 HD23 LEU 91 2.181 41.931 6.217 752 H SER 92 H SER 92 5.939 36.349 7.566 753 HA SER 92 HA SER 92 4.458 35.394 5.168 754 HB2 SER 92 HB2 SER 92 6.931 35.749 5.044 755 HB3 SER 92 HB3 SER 92 7.141 34.539 6.327 756 HG SER 92 HG SER 92 6.154 34.170 3.693 757 H ILE 93 H ILE 93 5.632 34.286 8.321 758 HA ILE 93 HA ILE 93 4.164 31.701 8.109 759 HB ILE 93 HB ILE 93 6.536 31.867 8.778 760 HG12 ILE 93 HG12 ILE 93 4.961 29.937 9.379 761 HG13 ILE 93 HG13 ILE 93 6.577 30.077 10.045 762 HG21 ILE 93 HG21 ILE 93 7.236 32.539 10.949 763 HG22 ILE 93 HG22 ILE 93 6.470 33.885 10.128 764 HG23 ILE 93 HG23 ILE 93 5.579 33.011 11.402 765 HD11 ILE 93 HD11 ILE 93 5.749 30.695 12.230 766 HD12 ILE 93 HD12 ILE 93 4.076 30.760 11.642 767 HD13 ILE 93 HD13 ILE 93 4.937 29.219 11.690 768 H GLN 94 H GLN 94 3.691 34.829 9.344 769 HA GLN 94 HA GLN 94 1.910 34.623 11.425 770 HB2 GLN 94 HB2 GLN 94 2.710 36.660 10.721 771 HB3 GLN 94 HB3 GLN 94 2.105 36.465 9.059 772 HG2 GLN 94 HG2 GLN 94 0.341 36.838 11.497 773 HG3 GLN 94 HG3 GLN 94 1.063 38.169 10.589 774 HE21 GLN 94 HE21 GLN 94 -2.373 37.792 9.256 775 HE22 GLN 94 HE22 GLN 94 -1.691 38.164 10.831 776 H TYR 95 H TYR 95 1.297 33.904 8.010 777 HA TYR 95 HA TYR 95 -1.474 33.496 7.896 778 HB2 TYR 95 HB2 TYR 95 0.132 33.262 6.031 779 HB3 TYR 95 HB3 TYR 95 0.794 31.809 6.752 780 HD1 TYR 95 HD1 TYR 95 -2.285 33.280 5.218 781 HD2 TYR 95 HD2 TYR 95 -0.236 29.662 6.387 782 HE1 TYR 95 HE1 TYR 95 -3.976 31.922 3.988 783 HE2 TYR 95 HE2 TYR 95 -1.927 28.313 5.152 784 HH TYR 95 HH TYR 95 -3.795 28.348 3.873 785 H MET 96 H MET 96 0.841 31.440 9.677 786 HA MET 96 HA MET 96 -0.936 29.230 10.223 787 HB2 MET 96 HB2 MET 96 1.446 30.399 11.717 788 HB3 MET 96 HB3 MET 96 0.683 28.857 12.129 789 HG2 MET 96 HG2 MET 96 1.978 29.502 9.446 790 HG3 MET 96 HG3 MET 96 2.731 28.574 10.738 791 HE1 MET 96 HE1 MET 96 3.035 27.125 8.262 792 HE2 MET 96 HE2 MET 96 1.673 26.231 7.547 793 HE3 MET 96 HE3 MET 96 1.743 28.004 7.425 794 H ILE 97 H ILE 97 -0.630 32.454 11.584 795 HA ILE 97 HA ILE 97 -2.090 31.984 13.995 796 HB ILE 97 HB ILE 97 -0.691 34.105 13.115 797 HG12 ILE 97 HG12 ILE 97 -2.948 34.398 15.128 798 HG13 ILE 97 HG13 ILE 97 -1.493 33.453 15.422 799 HG21 ILE 97 HG21 ILE 97 -2.066 36.034 12.660 800 HG22 ILE 97 HG22 ILE 97 -2.599 34.792 11.519 801 HG23 ILE 97 HG23 ILE 97 -3.565 35.132 12.965 802 HD11 ILE 97 HD11 ILE 97 -1.591 36.433 14.937 803 HD12 ILE 97 HD12 ILE 97 -1.155 35.541 16.415 804 HD13 ILE 97 HD13 ILE 97 -0.086 35.486 14.981 805 H GLN 98 H GLN 98 -3.257 32.085 10.738 806 HA GLN 98 HA GLN 98 -5.941 32.789 11.180 807 HB2 GLN 98 HB2 GLN 98 -4.942 32.378 8.967 808 HB3 GLN 98 HB3 GLN 98 -4.737 30.672 9.361 809 HG2 GLN 98 HG2 GLN 98 -6.651 30.977 7.894 810 HG3 GLN 98 HG3 GLN 98 -7.162 30.323 9.439 811 HE21 GLN 98 HE21 GLN 98 -9.176 33.178 10.256 812 HE22 GLN 98 HE22 GLN 98 -8.330 31.792 10.951 813 H LYS 99 H LYS 99 -4.257 29.782 12.083 814 HA LYS 99 HA LYS 99 -6.701 28.432 12.962 815 HB2 LYS 99 HB2 LYS 99 -3.734 27.807 13.433 816 HB3 LYS 99 HB3 LYS 99 -5.056 26.707 13.720 817 HG2 LYS 99 HG2 LYS 99 -4.241 27.811 10.987 818 HG3 LYS 99 HG3 LYS 99 -3.888 26.209 11.596 819 HD2 LYS 99 HD2 LYS 99 -6.163 25.512 11.495 820 HD3 LYS 99 HD3 LYS 99 -6.775 27.161 11.297 821 HE2 LYS 99 HE2 LYS 99 -5.943 27.371 9.082 822 HE3 LYS 99 HE3 LYS 99 -4.958 25.912 9.221 823 HZ1 LYS 99 HZ1 LYS 99 -6.976 24.589 9.315 824 HZ2 LYS 99 HZ2 LYS 99 -7.935 25.922 9.269 825 HZ3 LYS 99 HZ3 LYS 99 -7.030 25.527 7.977 826 H VAL 100 H VAL 100 -4.136 30.337 14.621 827 HA VAL 100 HA VAL 100 -5.403 29.985 17.159 828 HB VAL 100 HB VAL 100 -3.342 31.755 15.948 829 HG11 VAL 100 HG11 VAL 100 -4.591 33.586 16.928 830 HG12 VAL 100 HG12 VAL 100 -4.583 32.783 18.515 831 HG13 VAL 100 HG13 VAL 100 -3.072 33.336 17.759 832 HG21 VAL 100 HG21 VAL 100 -2.233 31.080 18.205 833 HG22 VAL 100 HG22 VAL 100 -3.707 30.214 18.552 834 HG23 VAL 100 HG23 VAL 100 -2.719 29.741 17.160 835 H MET 101 H MET 101 -5.866 32.550 14.715 836 HA MET 101 HA MET 101 -8.065 33.621 16.214 837 HB2 MET 101 HB2 MET 101 -8.517 35.152 14.362 838 HB3 MET 101 HB3 MET 101 -6.894 35.246 15.023 839 HG2 MET 101 HG2 MET 101 -5.889 34.352 13.228 840 HG3 MET 101 HG3 MET 101 -7.381 33.635 12.553 841 HE1 MET 101 HE1 MET 101 -5.084 35.298 10.998 842 HE2 MET 101 HE2 MET 101 -6.503 34.721 10.091 843 HE3 MET 101 HE3 MET 101 -6.013 36.419 9.971 844 H GLU 102 H GLU 102 -8.083 30.785 15.217 845 HA GLU 102 HA GLU 102 -10.940 30.904 14.515 846 HB2 GLU 102 HB2 GLU 102 -8.911 28.762 13.908 847 HB3 GLU 102 HB3 GLU 102 -10.609 28.336 14.045 848 HG2 GLU 102 HG2 GLU 102 -9.735 30.590 12.215 849 HG3 GLU 102 HG3 GLU 102 -9.639 28.897 11.716 850 H TYR 103 H TYR 103 -9.549 28.098 16.222 851 HA TYR 103 HA TYR 103 -11.940 28.388 17.882 852 HB2 TYR 103 HB2 TYR 103 -9.804 26.283 18.198 853 HB3 TYR 103 HB3 TYR 103 -11.432 26.260 18.838 854 HD1 TYR 103 HD1 TYR 103 -12.557 27.347 15.905 855 HD2 TYR 103 HD2 TYR 103 -10.249 24.011 17.400 856 HE1 TYR 103 HE1 TYR 103 -13.255 25.982 13.952 857 HE2 TYR 103 HE2 TYR 103 -11.005 22.649 15.468 858 HH TYR 103 HH TYR 103 -11.885 22.737 13.366 859 H LEU 104 H LEU 104 -8.503 28.677 18.324 860 HA LEU 104 HA LEU 104 -8.393 28.832 21.154 861 HB2 LEU 104 HB2 LEU 104 -6.656 28.124 19.615 862 HB3 LEU 104 HB3 LEU 104 -6.601 29.688 18.865 863 HG LEU 104 HG LEU 104 -4.675 29.145 20.220 864 HD11 LEU 104 HD11 LEU 104 -4.383 31.313 21.097 865 HD12 LEU 104 HD12 LEU 104 -5.688 31.567 19.918 866 HD13 LEU 104 HD13 LEU 104 -6.057 31.458 21.642 867 HD21 LEU 104 HD21 LEU 104 -6.548 29.304 22.628 868 HD22 LEU 104 HD22 LEU 104 -5.733 27.850 21.993 869 HD23 LEU 104 HD23 LEU 104 -4.780 29.171 22.679 870 H LYS 105 H LYS 105 -8.877 31.375 18.668 871 HA LYS 105 HA LYS 105 -9.281 33.472 20.653 872 HB2 LYS 105 HB2 LYS 105 -9.665 33.338 17.662 873 HB3 LYS 105 HB3 LYS 105 -10.217 34.700 18.667 874 HG2 LYS 105 HG2 LYS 105 -7.803 34.755 19.663 875 HG3 LYS 105 HG3 LYS 105 -7.348 33.813 18.241 876 HD2 LYS 105 HD2 LYS 105 -8.626 35.644 16.891 877 HD3 LYS 105 HD3 LYS 105 -8.662 36.547 18.410 878 HE2 LYS 105 HE2 LYS 105 -6.097 36.251 18.485 879 HE3 LYS 105 HE3 LYS 105 -6.191 35.688 16.802 880 HZ1 LYS 105 HZ1 LYS 105 -7.067 38.360 17.797 881 HZ2 LYS 105 HZ2 LYS 105 -5.746 38.075 16.902 882 HZ3 LYS 105 HZ3 LYS 105 -7.226 37.865 16.251 883 H SER 106 H SER 106 -11.517 31.858 18.396 884 HA SER 106 HA SER 106 -13.808 33.194 19.370 885 HB2 SER 106 HB2 SER 106 -15.165 31.606 18.118 886 HB3 SER 106 HB3 SER 106 -13.781 32.174 17.173 887 HG SER 106 HG SER 106 -12.756 30.291 17.485 888 H SER 107 H SER 107 -12.245 30.508 20.922 889 HA SER 107 HA SER 107 -14.442 29.681 22.586 890 HB2 SER 107 HB2 SER 107 -11.439 29.573 23.059 891 HB3 SER 107 HB3 SER 107 -12.668 28.775 24.062 892 HG SER 107 HG SER 107 -11.954 28.316 21.365 893 H LYS 108 H LYS 108 -15.331 31.893 22.945 894 HA LYS 108 HA LYS 108 -14.128 33.901 24.543 895 HB2 LYS 108 HB2 LYS 108 -17.062 33.050 24.417 896 HB3 LYS 108 HB3 LYS 108 -16.486 34.566 25.104 897 HG2 LYS 108 HG2 LYS 108 -16.237 33.754 22.174 898 HG3 LYS 108 HG3 LYS 108 -17.429 34.852 22.865 899 HD2 LYS 108 HD2 LYS 108 -15.571 36.375 23.594 900 HD3 LYS 108 HD3 LYS 108 -14.411 35.313 22.757 901 HE2 LYS 108 HE2 LYS 108 -15.623 35.673 20.620 902 HE3 LYS 108 HE3 LYS 108 -16.793 36.705 21.452 903 HZ1 LYS 108 HZ1 LYS 108 -15.086 38.014 20.360 904 HZ2 LYS 108 HZ2 LYS 108 -14.973 38.237 21.965 905 HZ3 LYS 108 HZ3 LYS 108 -13.892 37.288 21.189 906 H SER 109 H SER 109 -15.299 30.817 25.617 907 HA SER 109 HA SER 109 -15.309 31.613 28.411 908 HB2 SER 109 HB2 SER 109 -15.962 28.901 27.213 909 HB3 SER 109 HB3 SER 109 -16.312 29.422 28.869 910 HG SER 109 HG SER 109 -17.783 30.894 28.082 911 H LEU 110 H LEU 110 -12.781 31.298 26.808 912 HA LEU 110 HA LEU 110 -11.223 29.315 28.199 913 HB2 LEU 110 HB2 LEU 110 -10.451 31.845 26.685 914 HB3 LEU 110 HB3 LEU 110 -9.265 30.968 27.632 915 HG LEU 110 HG LEU 110 -10.790 29.821 25.265 916 HD11 LEU 110 HD11 LEU 110 -8.978 31.428 24.741 917 HD12 LEU 110 HD12 LEU 110 -7.841 30.450 25.681 918 HD13 LEU 110 HD13 LEU 110 -8.592 29.787 24.210 919 HD21 LEU 110 HD21 LEU 110 -8.843 28.546 27.214 920 HD22 LEU 110 HD22 LEU 110 -10.445 27.961 26.713 921 HD23 LEU 110 HD23 LEU 110 -9.106 27.920 25.570 922 H ASP 111 H ASP 111 -9.932 29.442 29.901 923 HA ASP 111 HA ASP 111 -10.434 31.404 31.987 924 HB2 ASP 111 HB2 ASP 111 -8.327 29.221 31.785 925 HB3 ASP 111 HB3 ASP 111 -8.592 30.264 33.182 926 H LEU 112 H LEU 112 -9.121 33.058 32.568 927 HA LEU 112 HA LEU 112 -7.659 34.514 30.651 928 HB2 LEU 112 HB2 LEU 112 -7.444 34.473 33.692 929 HB3 LEU 112 HB3 LEU 112 -6.601 35.649 32.699 930 HG LEU 112 HG LEU 112 -9.622 35.319 32.557 931 HD11 LEU 112 HD11 LEU 112 -8.985 35.854 34.868 932 HD12 LEU 112 HD12 LEU 112 -8.007 37.228 34.292 933 HD13 LEU 112 HD13 LEU 112 -9.777 37.239 34.091 934 HD21 LEU 112 HD21 LEU 112 -7.754 37.604 31.793 935 HD22 LEU 112 HD22 LEU 112 -8.604 36.524 30.666 936 HD23 LEU 112 HD23 LEU 112 -9.529 37.635 31.687 937 H ASN 113 H ASN 113 -6.388 32.342 33.140 938 HA ASN 113 HA ASN 113 -3.696 32.876 32.753 939 HB2 ASN 113 HB2 ASN 113 -4.914 30.187 33.546 940 HB3 ASN 113 HB3 ASN 113 -3.324 30.788 34.022 941 HD21 ASN 113 HD21 ASN 113 -4.643 32.834 36.645 942 HD22 ASN 113 HD22 ASN 113 -3.224 32.498 35.661 943 H THR 114 H THR 114 -5.783 30.804 30.823 944 HA THR 114 HA THR 114 -3.622 29.458 29.356 945 HB THR 114 HB THR 114 -6.646 29.572 29.231 946 HG1 THR 114 HG1 THR 114 -6.123 27.254 29.316 947 HG21 THR 114 HG21 THR 114 -4.886 28.271 27.134 948 HG22 THR 114 HG22 THR 114 -6.644 27.992 27.357 949 HG23 THR 114 HG23 THR 114 -6.054 29.593 26.897 950 H ARG 115 H ARG 115 -6.040 31.990 28.596 951 HA ARG 115 HA ARG 115 -4.994 32.622 25.995 952 HB2 ARG 115 HB2 ARG 115 -7.262 33.088 26.597 953 HB3 ARG 115 HB3 ARG 115 -6.779 34.103 27.961 954 HG2 ARG 115 HG2 ARG 115 -6.058 35.889 26.605 955 HG3 ARG 115 HG3 ARG 115 -5.886 34.877 25.155 956 HD2 ARG 115 HD2 ARG 115 -8.544 35.202 26.532 957 HD3 ARG 115 HD3 ARG 115 -7.962 36.417 25.354 958 HE ARG 115 HE ARG 115 -7.642 34.030 23.989 959 HH11 ARG 115 HH11 ARG 115 -10.414 35.717 25.311 960 HH12 ARG 115 HH12 ARG 115 -11.518 34.859 24.268 961 HH21 ARG 115 HH21 ARG 115 -9.154 32.842 22.834 962 HH22 ARG 115 HH22 ARG 115 -10.789 33.435 22.799 963 H ILE 116 H ILE 116 -4.402 34.123 29.110 964 HA ILE 116 HA ILE 116 -2.890 36.334 28.522 965 HB ILE 116 HB ILE 116 -2.934 34.323 30.702 966 HG12 ILE 116 HG12 ILE 116 -3.117 37.390 30.565 967 HG13 ILE 116 HG13 ILE 116 -4.485 36.308 30.392 968 HG21 ILE 116 HG21 ILE 116 -0.583 34.531 30.642 969 HG22 ILE 116 HG22 ILE 116 -0.674 36.321 30.660 970 HG23 ILE 116 HG23 ILE 116 -1.198 35.358 32.063 971 HD11 ILE 116 HD11 ILE 116 -2.826 36.723 32.916 972 HD12 ILE 116 HD12 ILE 116 -4.512 37.165 32.636 973 HD13 ILE 116 HD13 ILE 116 -4.062 35.453 32.740 974 H SER 117 H SER 117 -1.768 33.049 28.305 975 HA SER 117 HA SER 117 1.044 33.627 28.030 976 HB2 SER 117 HB2 SER 117 0.117 31.373 28.576 977 HB3 SER 117 HB3 SER 117 -0.453 31.226 26.902 978 HG SER 117 HG SER 117 1.676 31.297 26.187 979 H VAL 118 H VAL 118 -1.615 33.387 25.729 980 HA VAL 118 HA VAL 118 0.186 33.639 23.411 981 HB VAL 118 HB VAL 118 -1.298 31.830 23.339 982 HG11 VAL 118 HG11 VAL 118 -3.748 32.009 23.224 983 HG12 VAL 118 HG12 VAL 118 -3.082 32.472 24.788 984 HG13 VAL 118 HG13 VAL 118 -3.651 33.724 23.641 985 HG21 VAL 118 HG21 VAL 118 -0.785 33.132 21.208 986 HG22 VAL 118 HG22 VAL 118 -2.264 32.171 21.133 987 HG23 VAL 118 HG23 VAL 118 -2.351 33.929 21.375 988 H ILE 119 H ILE 119 -2.441 35.485 25.014 989 HA ILE 119 HA ILE 119 -2.496 37.545 23.104 990 HB ILE 119 HB ILE 119 -4.021 36.842 25.149 991 HG12 ILE 119 HG12 ILE 119 -5.015 39.079 25.338 992 HG13 ILE 119 HG13 ILE 119 -3.651 39.762 24.435 993 HG21 ILE 119 HG21 ILE 119 -2.191 37.207 26.764 994 HG22 ILE 119 HG22 ILE 119 -2.459 38.958 26.620 995 HG23 ILE 119 HG23 ILE 119 -3.770 37.886 27.203 996 HD11 ILE 119 HD11 ILE 119 -5.761 39.207 23.072 997 HD12 ILE 119 HD12 ILE 119 -4.264 38.483 22.453 998 HD13 ILE 119 HD13 ILE 119 -5.400 37.490 23.387 999 H GLU 120 H GLU 120 -0.123 36.883 25.607 1000 HA GLU 120 HA GLU 120 1.327 39.361 25.017 1001 HB2 GLU 120 HB2 GLU 120 1.495 37.242 27.099 1002 HB3 GLU 120 HB3 GLU 120 3.046 37.877 26.541 1003 HG2 GLU 120 HG2 GLU 120 2.369 40.164 26.944 1004 HG3 GLU 120 HG3 GLU 120 0.735 39.654 27.406 1005 H THR 121 H THR 121 1.813 35.823 24.376 1006 HA THR 121 HA THR 121 4.377 35.963 23.362 1007 HB THR 121 HB THR 121 2.811 33.912 23.591 1008 HG1 THR 121 HG1 THR 121 4.683 34.231 21.498 1009 HG21 THR 121 HG21 THR 121 1.246 34.746 21.638 1010 HG22 THR 121 HG22 THR 121 2.526 34.173 20.574 1011 HG23 THR 121 HG23 THR 121 1.722 33.041 21.672 1012 H ILE 122 H ILE 122 1.427 36.691 21.650 1013 HA ILE 122 HA ILE 122 2.458 37.016 19.027 1014 HB ILE 122 HB ILE 122 0.172 36.385 19.645 1015 HG12 ILE 122 HG12 ILE 122 0.516 38.833 17.897 1016 HG13 ILE 122 HG13 ILE 122 0.465 37.119 17.456 1017 HG21 ILE 122 HG21 ILE 122 -1.410 37.841 20.620 1018 HG22 ILE 122 HG22 ILE 122 0.023 37.873 21.618 1019 HG23 ILE 122 HG23 ILE 122 -0.312 39.250 20.525 1020 HD11 ILE 122 HD11 ILE 122 -1.948 37.056 18.146 1021 HD12 ILE 122 HD12 ILE 122 -1.873 38.814 18.431 1022 HD13 ILE 122 HD13 ILE 122 -1.618 38.176 16.803 1023 H ARG 123 H ARG 123 2.028 39.269 21.739 1024 HA ARG 123 HA ARG 123 2.759 41.694 20.267 1025 HB2 ARG 123 HB2 ARG 123 2.646 41.006 23.251 1026 HB3 ARG 123 HB3 ARG 123 3.142 42.576 22.626 1027 HG2 ARG 123 HG2 ARG 123 1.003 42.950 21.580 1028 HG3 ARG 123 HG3 ARG 123 0.455 41.303 21.940 1029 HD2 ARG 123 HD2 ARG 123 0.341 41.732 24.299 1030 HD3 ARG 123 HD3 ARG 123 1.263 43.231 24.141 1031 HE ARG 123 HE ARG 123 -0.648 44.382 23.629 1032 HH11 ARG 123 HH11 ARG 123 -1.544 40.983 23.227 1033 HH12 ARG 123 HH12 ARG 123 -3.154 41.445 22.725 1034 HH21 ARG 123 HH21 ARG 123 -2.711 44.802 23.105 1035 HH22 ARG 123 HH22 ARG 123 -3.809 43.506 22.727 1036 H VAL 124 H VAL 124 4.600 39.633 22.603 1037 HA VAL 124 HA VAL 124 7.026 41.032 22.098 1038 HB VAL 124 HB VAL 124 6.626 39.793 24.137 1039 HG11 VAL 124 HG11 VAL 124 7.039 37.250 22.513 1040 HG12 VAL 124 HG12 VAL 124 6.940 37.370 24.284 1041 HG13 VAL 124 HG13 VAL 124 5.541 37.785 23.306 1042 HG21 VAL 124 HG21 VAL 124 8.941 40.356 23.464 1043 HG22 VAL 124 HG22 VAL 124 8.849 38.885 24.448 1044 HG23 VAL 124 HG23 VAL 124 9.093 38.756 22.693 1045 H VAL 125 H VAL 125 5.784 38.127 20.398 1046 HA VAL 125 HA VAL 125 8.235 37.898 18.877 1047 HB VAL 125 HB VAL 125 6.593 36.049 19.485 1048 HG11 VAL 125 HG11 VAL 125 4.843 35.486 17.945 1049 HG12 VAL 125 HG12 VAL 125 4.569 37.154 18.463 1050 HG13 VAL 125 HG13 VAL 125 5.262 36.846 16.865 1051 HG21 VAL 125 HG21 VAL 125 8.554 35.662 18.081 1052 HG22 VAL 125 HG22 VAL 125 7.184 34.688 17.530 1053 HG23 VAL 125 HG23 VAL 125 7.654 36.157 16.637 1054 H THR 126 H THR 126 5.162 39.629 18.187 1055 HA THR 126 HA THR 126 6.074 40.154 15.407 1056 HB THR 126 HB THR 126 3.991 41.271 15.015 1057 HG1 THR 126 HG1 THR 126 3.201 40.589 17.624 1058 HG21 THR 126 HG21 THR 126 2.382 39.442 15.340 1059 HG22 THR 126 HG22 THR 126 3.929 38.858 14.716 1060 HG23 THR 126 HG23 THR 126 3.506 38.611 16.424 1061 H GLU 127 H GLU 127 5.680 42.019 18.426 1062 HA GLU 127 HA GLU 127 6.619 44.508 17.129 1063 HB2 GLU 127 HB2 GLU 127 5.985 43.963 20.055 1064 HB3 GLU 127 HB3 GLU 127 6.249 45.528 19.319 1065 HG2 GLU 127 HG2 GLU 127 3.891 43.666 18.782 1066 HG3 GLU 127 HG3 GLU 127 3.881 45.122 19.763 1067 H ASN 128 H ASN 128 7.985 41.760 18.506 1068 HA ASN 128 HA ASN 128 10.011 41.119 19.151 1069 HB2 ASN 128 HB2 ASN 128 10.267 41.876 16.796 1070 HB3 ASN 128 HB3 ASN 128 10.992 43.378 17.391 1071 HD21 ASN 128 HD21 ASN 128 13.166 39.966 18.212 1072 HD22 ASN 128 HD22 ASN 128 11.440 39.951 18.526 1073 H LYS 129 H LYS 129 9.009 42.224 21.196 1074 HA LYS 129 HA LYS 129 10.767 44.331 22.342 1075 HB2 LYS 129 HB2 LYS 129 8.001 43.384 23.158 1076 HB3 LYS 129 HB3 LYS 129 8.921 44.609 24.033 1077 HG2 LYS 129 HG2 LYS 129 8.172 44.872 21.098 1078 HG3 LYS 129 HG3 LYS 129 7.199 45.503 22.423 1079 HD2 LYS 129 HD2 LYS 129 8.974 46.987 23.132 1080 HD3 LYS 129 HD3 LYS 129 10.101 46.352 21.931 1081 HE2 LYS 129 HE2 LYS 129 7.432 47.557 21.102 1082 HE3 LYS 129 HE3 LYS 129 8.821 48.580 21.461 1083 HZ1 LYS 129 HZ1 LYS 129 8.651 48.019 19.094 1084 HZ2 LYS 129 HZ2 LYS 129 10.074 47.552 19.721 1085 HZ3 LYS 129 HZ3 LYS 129 8.913 46.433 19.399 1086 H ILE 130 H ILE 130 11.643 41.628 22.110 1087 HA ILE 130 HA ILE 130 11.978 40.375 24.653 1088 HB ILE 130 HB ILE 130 13.941 39.290 23.584 1089 HG12 ILE 130 HG12 ILE 130 13.313 41.032 21.160 1090 HG13 ILE 130 HG13 ILE 130 14.740 41.137 22.187 1091 HG21 ILE 130 HG21 ILE 130 11.520 39.244 21.757 1092 HG22 ILE 130 HG22 ILE 130 12.714 37.960 22.052 1093 HG23 ILE 130 HG23 ILE 130 11.610 38.433 23.343 1094 HD11 ILE 130 HD11 ILE 130 15.349 38.790 21.510 1095 HD12 ILE 130 HD12 ILE 130 13.993 38.828 20.351 1096 HD13 ILE 130 HD13 ILE 130 15.335 39.962 20.175 1097 H PHE 131 H PHE 131 14.131 40.200 25.722 1098 HA PHE 131 HA PHE 131 15.045 42.682 26.765 1099 HB2 PHE 131 HB2 PHE 131 15.099 40.532 27.965 1100 HB3 PHE 131 HB3 PHE 131 16.309 39.911 26.851 1101 HD1 PHE 131 HD1 PHE 131 18.648 40.331 27.218 1102 HD2 PHE 131 HD2 PHE 131 15.681 42.514 29.469 1103 HE1 PHE 131 HE1 PHE 131 20.430 41.217 28.708 1104 HE2 PHE 131 HE2 PHE 131 17.468 43.396 30.955 1105 HZ PHE 131 HZ PHE 131 19.835 42.745 30.580 1106 H VAL 132 H VAL 132 16.311 40.752 24.106 1107 HA VAL 132 HA VAL 132 18.754 42.189 23.656 1108 HB VAL 132 HB VAL 132 17.134 40.442 21.775 1109 HG11 VAL 132 HG11 VAL 132 20.072 41.243 21.689 1110 HG12 VAL 132 HG12 VAL 132 19.353 39.960 20.699 1111 HG13 VAL 132 HG13 VAL 132 18.815 41.608 20.474 1112 HG21 VAL 132 HG21 VAL 132 18.672 38.593 22.435 1113 HG22 VAL 132 HG22 VAL 132 19.398 39.653 23.664 1114 HG23 VAL 132 HG23 VAL 132 17.700 39.141 23.794 1115 H GLU 133 H GLU 133 19.112 43.480 21.744 1116 HA GLU 133 HA GLU 133 16.831 44.885 20.604 1117 HB2 GLU 133 HB2 GLU 133 19.167 46.353 21.870 1118 HB3 GLU 133 HB3 GLU 133 17.906 47.098 20.868 1119 HG2 GLU 133 HG2 GLU 133 16.194 46.309 22.542 1120 HG3 GLU 133 HG3 GLU 133 17.509 45.728 23.572 1121 H VAL 134 H VAL 134 17.006 45.520 18.591 1122 HA VAL 134 HA VAL 134 19.501 46.219 17.369 1123 HB VAL 134 HB VAL 134 19.670 43.878 16.907 1124 HG11 VAL 134 HG11 VAL 134 17.054 43.997 15.364 1125 HG12 VAL 134 HG12 VAL 134 18.151 42.616 15.526 1126 HG13 VAL 134 HG13 VAL 134 17.273 43.222 16.943 1127 HG21 VAL 134 HG21 VAL 134 20.445 45.582 15.277 1128 HG22 VAL 134 HG22 VAL 134 20.049 44.020 14.530 1129 HG23 VAL 134 HG23 VAL 134 18.935 45.395 14.376 1130 H GLU 135 H GLU 135 18.190 48.061 17.872 1131 HA GLU 135 HA GLU 135 17.049 49.858 17.244 1132 HB2 GLU 135 HB2 GLU 135 17.332 48.897 14.397 1133 HB3 GLU 135 HB3 GLU 135 17.055 50.553 14.952 1134 HG2 GLU 135 HG2 GLU 135 19.255 50.399 16.213 1135 HG3 GLU 135 HG3 GLU 135 19.558 48.871 15.379 1136 H ARG 136 H ARG 136 15.419 47.720 18.052 1137 HA ARG 136 HA ARG 136 12.769 48.576 17.043 1138 HB2 ARG 136 HB2 ARG 136 13.658 45.662 17.213 1139 HB3 ARG 136 HB3 ARG 136 11.987 46.202 17.045 1140 HG2 ARG 136 HG2 ARG 136 12.620 47.358 14.898 1141 HG3 ARG 136 HG3 ARG 136 14.216 46.594 15.008 1142 HD2 ARG 136 HD2 ARG 136 11.550 45.123 14.904 1143 HD3 ARG 136 HD3 ARG 136 12.610 45.386 13.526 1144 HE ARG 136 HE ARG 136 13.186 43.634 15.893 1145 HH11 ARG 136 HH11 ARG 136 14.085 44.470 12.594 1146 HH12 ARG 136 HH12 ARG 136 15.097 43.058 12.460 1147 HH21 ARG 136 HH21 ARG 136 14.412 41.925 15.630 1148 HH22 ARG 136 HH22 ARG 136 15.270 41.648 14.124 Start of MODEL 19 1 H1 MET 1 H1 MET 1 2.525 12.430 -17.137 2 H2 MET 1 H2 MET 1 3.119 11.916 -18.571 3 H3 MET 1 H3 MET 1 3.394 11.037 -17.226 4 HA MET 1 HA MET 1 4.450 13.728 -17.775 5 HB2 MET 1 HB2 MET 1 5.013 11.895 -15.397 6 HB3 MET 1 HB3 MET 1 5.851 13.408 -15.753 7 HG2 MET 1 HG2 MET 1 3.630 14.597 -15.598 8 HG3 MET 1 HG3 MET 1 2.940 13.100 -14.957 9 HE1 MET 1 HE1 MET 1 5.280 11.954 -13.036 10 HE2 MET 1 HE2 MET 1 4.801 12.722 -11.511 11 HE3 MET 1 HE3 MET 1 3.557 12.054 -12.593 12 H SER 2 H SER 2 6.842 13.754 -17.992 13 HA SER 2 HA SER 2 7.904 11.724 -19.739 14 HB2 SER 2 HB2 SER 2 8.676 14.041 -19.800 15 HB3 SER 2 HB3 SER 2 9.271 13.922 -18.133 16 HG SER 2 HG SER 2 10.852 13.618 -19.865 17 H ARG 3 H ARG 3 9.628 10.278 -19.367 18 HA ARG 3 HA ARG 3 9.554 8.525 -17.149 19 HB2 ARG 3 HB2 ARG 3 10.548 8.105 -19.435 20 HB3 ARG 3 HB3 ARG 3 11.877 9.180 -19.015 21 HG2 ARG 3 HG2 ARG 3 12.292 7.507 -17.011 22 HG3 ARG 3 HG3 ARG 3 11.211 6.437 -17.899 23 HD2 ARG 3 HD2 ARG 3 13.473 5.893 -18.491 24 HD3 ARG 3 HD3 ARG 3 12.747 6.688 -19.900 25 HE ARG 3 HE ARG 3 14.040 8.685 -18.298 26 HH11 ARG 3 HH11 ARG 3 15.885 9.568 -18.764 27 HH12 ARG 3 HH12 ARG 3 17.062 8.762 -19.801 28 HH21 ARG 3 HH21 ARG 3 15.060 6.008 -20.341 29 HH22 ARG 3 HH22 ARG 3 16.587 6.790 -20.681 30 H ASP 4 H ASP 4 11.545 11.398 -17.647 31 HA ASP 4 HA ASP 4 13.203 10.906 -15.281 32 HB2 ASP 4 HB2 ASP 4 13.118 13.284 -17.164 33 HB3 ASP 4 HB3 ASP 4 14.347 12.986 -15.938 34 H ALA 5 H ALA 5 10.074 12.060 -15.379 35 HA ALA 5 HA ALA 5 10.261 14.321 -13.614 36 HB1 ALA 5 HB1 ALA 5 7.966 12.388 -14.114 37 HB2 ALA 5 HB2 ALA 5 7.852 13.957 -13.293 38 HB3 ALA 5 HB3 ALA 5 8.297 13.892 -15.010 39 HA PRO 6 HA PRO 6 11.415 11.764 -10.122 40 HB2 PRO 6 HB2 PRO 6 11.888 13.644 -8.221 41 HB3 PRO 6 HB3 PRO 6 12.904 13.501 -9.692 42 HG2 PRO 6 HG2 PRO 6 10.602 15.425 -9.207 43 HG3 PRO 6 HG3 PRO 6 12.233 15.784 -9.856 44 HD2 PRO 6 HD2 PRO 6 10.012 15.342 -11.433 45 HD3 PRO 6 HD3 PRO 6 11.679 14.935 -11.960 46 H ILE 7 H ILE 7 10.454 10.758 -8.373 47 HA ILE 7 HA ILE 7 7.751 11.488 -7.596 48 HB ILE 7 HB ILE 7 9.517 9.222 -6.559 49 HG12 ILE 7 HG12 ILE 7 7.509 8.070 -8.115 50 HG13 ILE 7 HG13 ILE 7 7.912 9.503 -9.055 51 HG21 ILE 7 HG21 ILE 7 7.689 9.800 -5.004 52 HG22 ILE 7 HG22 ILE 7 6.514 9.694 -6.332 53 HG23 ILE 7 HG23 ILE 7 7.383 8.247 -5.781 54 HD11 ILE 7 HD11 ILE 7 9.243 7.557 -9.758 55 HD12 ILE 7 HD12 ILE 7 10.313 8.787 -9.062 56 HD13 ILE 7 HD13 ILE 7 9.864 7.354 -8.105 57 H LYS 8 H LYS 8 7.729 13.313 -6.372 58 HA LYS 8 HA LYS 8 9.967 13.975 -4.673 59 HB2 LYS 8 HB2 LYS 8 7.502 15.410 -5.601 60 HB3 LYS 8 HB3 LYS 8 8.423 16.104 -4.283 61 HG2 LYS 8 HG2 LYS 8 9.768 15.297 -6.901 62 HG3 LYS 8 HG3 LYS 8 8.979 16.852 -6.662 63 HD2 LYS 8 HD2 LYS 8 11.104 17.456 -6.142 64 HD3 LYS 8 HD3 LYS 8 10.517 17.069 -4.527 65 HE2 LYS 8 HE2 LYS 8 11.668 14.896 -4.593 66 HE3 LYS 8 HE3 LYS 8 12.130 15.160 -6.284 67 HZ1 LYS 8 HZ1 LYS 8 13.027 16.817 -3.988 68 HZ2 LYS 8 HZ2 LYS 8 13.931 15.703 -4.759 69 HZ3 LYS 8 HZ3 LYS 8 13.464 17.050 -5.542 70 H ALA 9 H ALA 9 7.495 12.021 -3.706 71 HA ALA 9 HA ALA 9 7.538 12.966 -0.907 72 HB1 ALA 9 HB1 ALA 9 5.593 11.700 -1.573 73 HB2 ALA 9 HB2 ALA 9 6.621 10.310 -2.041 74 HB3 ALA 9 HB3 ALA 9 6.551 10.838 -0.338 75 H ASP 10 H ASP 10 9.746 13.284 -0.846 76 HA ASP 10 HA ASP 10 11.779 11.399 -1.344 77 HB2 ASP 10 HB2 ASP 10 11.884 13.929 -1.110 78 HB3 ASP 10 HB3 ASP 10 11.816 13.708 0.639 79 H LYS 11 H LYS 11 9.775 11.797 1.444 80 HA LYS 11 HA LYS 11 9.639 10.811 3.531 81 HB2 LYS 11 HB2 LYS 11 9.742 8.705 1.387 82 HB3 LYS 11 HB3 LYS 11 9.575 8.177 3.056 83 HG2 LYS 11 HG2 LYS 11 7.619 9.662 3.379 84 HG3 LYS 11 HG3 LYS 11 7.756 10.196 1.700 85 HD2 LYS 11 HD2 LYS 11 7.341 7.911 0.896 86 HD3 LYS 11 HD3 LYS 11 7.350 7.279 2.552 87 HE2 LYS 11 HE2 LYS 11 5.281 8.487 3.100 88 HE3 LYS 11 HE3 LYS 11 5.313 9.315 1.533 89 HZ1 LYS 11 HZ1 LYS 11 5.038 7.142 0.455 90 HZ2 LYS 11 HZ2 LYS 11 4.984 6.380 1.889 91 HZ3 LYS 11 HZ3 LYS 11 3.807 7.423 1.472 92 H ASP 12 H ASP 12 12.430 11.544 3.147 93 HA ASP 12 HA ASP 12 13.913 9.622 4.844 94 HB2 ASP 12 HB2 ASP 12 14.443 12.509 4.039 95 HB3 ASP 12 HB3 ASP 12 15.451 11.643 5.193 96 H TYR 13 H TYR 13 11.896 12.412 5.333 97 HA TYR 13 HA TYR 13 11.475 11.753 8.198 98 HB2 TYR 13 HB2 TYR 13 11.731 14.593 7.128 99 HB3 TYR 13 HB3 TYR 13 11.445 14.113 8.792 100 HD1 TYR 13 HD1 TYR 13 13.955 14.817 6.264 101 HD2 TYR 13 HD2 TYR 13 13.287 12.933 10.093 102 HE1 TYR 13 HE1 TYR 13 16.406 14.862 6.718 103 HE2 TYR 13 HE2 TYR 13 15.737 12.985 10.543 104 HH TYR 13 HH TYR 13 17.783 13.570 9.760 105 H SER 14 H SER 14 9.403 13.057 8.846 106 HA SER 14 HA SER 14 7.183 13.015 8.776 107 HB2 SER 14 HB2 SER 14 5.943 13.935 7.030 108 HB3 SER 14 HB3 SER 14 7.498 14.785 7.026 109 HG SER 14 HG SER 14 8.126 13.208 5.375 110 H GLN 15 H GLN 15 8.797 10.679 6.777 111 HA GLN 15 HA GLN 15 6.672 9.104 5.882 112 HB2 GLN 15 HB2 GLN 15 8.135 7.306 5.672 113 HB3 GLN 15 HB3 GLN 15 8.996 8.766 5.237 114 HG2 GLN 15 HG2 GLN 15 10.481 8.589 7.049 115 HG3 GLN 15 HG3 GLN 15 9.344 7.701 8.060 116 HE21 GLN 15 HE21 GLN 15 11.274 5.473 5.188 117 HE22 GLN 15 HE22 GLN 15 10.936 7.186 4.877 118 H ILE 16 H ILE 16 7.917 9.377 9.097 119 HA ILE 16 HA ILE 16 6.720 7.196 10.444 120 HB ILE 16 HB ILE 16 7.191 10.094 11.340 121 HG12 ILE 16 HG12 ILE 16 9.086 7.827 11.894 122 HG13 ILE 16 HG13 ILE 16 9.192 8.819 10.430 123 HG21 ILE 16 HG21 ILE 16 5.687 9.028 12.915 124 HG22 ILE 16 HG22 ILE 16 6.570 7.504 12.834 125 HG23 ILE 16 HG23 ILE 16 7.299 8.905 13.653 126 HD11 ILE 16 HD11 ILE 16 9.318 10.006 13.208 127 HD12 ILE 16 HD12 ILE 16 10.693 9.701 12.119 128 HD13 ILE 16 HD13 ILE 16 9.449 10.862 11.648 129 H LEU 17 H LEU 17 5.557 10.472 9.779 130 HA LEU 17 HA LEU 17 2.985 10.154 11.076 131 HB2 LEU 17 HB2 LEU 17 3.779 12.095 8.923 132 HB3 LEU 17 HB3 LEU 17 2.574 12.302 10.237 133 HG LEU 17 HG LEU 17 5.608 12.412 10.435 134 HD11 LEU 17 HD11 LEU 17 3.431 14.543 10.543 135 HD12 LEU 17 HD12 LEU 17 5.141 14.803 10.917 136 HD13 LEU 17 HD13 LEU 17 4.659 14.310 9.287 137 HD21 LEU 17 HD21 LEU 17 5.161 13.329 12.762 138 HD22 LEU 17 HD22 LEU 17 3.508 12.696 12.627 139 HD23 LEU 17 HD23 LEU 17 4.921 11.610 12.540 140 H LYS 18 H LYS 18 4.310 9.681 7.813 141 HA LYS 18 HA LYS 18 1.845 9.306 6.394 142 HB2 LYS 18 HB2 LYS 18 4.614 8.331 5.748 143 HB3 LYS 18 HB3 LYS 18 3.248 8.292 4.655 144 HG2 LYS 18 HG2 LYS 18 4.298 10.881 5.867 145 HG3 LYS 18 HG3 LYS 18 4.858 10.241 4.328 146 HD2 LYS 18 HD2 LYS 18 2.526 10.401 3.444 147 HD3 LYS 18 HD3 LYS 18 1.988 11.048 5.010 148 HE2 LYS 18 HE2 LYS 18 3.564 12.956 4.768 149 HE3 LYS 18 HE3 LYS 18 4.092 12.325 3.202 150 HZ1 LYS 18 HZ1 LYS 18 2.399 14.032 2.934 151 HZ2 LYS 18 HZ2 LYS 18 1.806 12.619 2.397 152 HZ3 LYS 18 HZ3 LYS 18 1.328 13.212 3.841 153 H GLU 19 H GLU 19 3.883 7.120 8.305 154 HA GLU 19 HA GLU 19 2.302 4.814 7.409 155 HB2 GLU 19 HB2 GLU 19 4.060 3.492 7.905 156 HB3 GLU 19 HB3 GLU 19 4.884 5.002 7.490 157 HG2 GLU 19 HG2 GLU 19 5.013 5.516 9.957 158 HG3 GLU 19 HG3 GLU 19 4.318 3.927 10.290 159 H GLU 20 H GLU 20 2.949 6.575 10.463 160 HA GLU 20 HA GLU 20 1.307 4.738 12.029 161 HB2 GLU 20 HB2 GLU 20 2.525 7.455 12.653 162 HB3 GLU 20 HB3 GLU 20 1.654 6.478 13.821 163 HG2 GLU 20 HG2 GLU 20 4.179 5.602 12.366 164 HG3 GLU 20 HG3 GLU 20 4.113 6.247 14.005 165 H PHE 21 H PHE 21 0.579 7.688 10.159 166 HA PHE 21 HA PHE 21 -1.633 8.537 11.710 167 HB2 PHE 21 HB2 PHE 21 -0.904 10.018 10.061 168 HB3 PHE 21 HB3 PHE 21 -1.064 8.841 8.764 169 HD1 PHE 21 HD1 PHE 21 -3.025 8.834 7.425 170 HD2 PHE 21 HD2 PHE 21 -3.113 10.686 11.318 171 HE1 PHE 21 HE1 PHE 21 -5.335 9.634 6.994 172 HE2 PHE 21 HE2 PHE 21 -5.422 11.499 10.882 173 HZ PHE 21 HZ PHE 21 -6.539 10.963 8.716 174 HA PRO 22 HA PRO 22 -4.532 5.423 9.537 175 HB2 PRO 22 HB2 PRO 22 -2.625 3.262 8.751 176 HB3 PRO 22 HB3 PRO 22 -4.131 3.803 7.950 177 HG2 PRO 22 HG2 PRO 22 -1.677 4.489 6.941 178 HG3 PRO 22 HG3 PRO 22 -3.012 5.689 6.977 179 HD2 PRO 22 HD2 PRO 22 -0.725 5.359 8.926 180 HD3 PRO 22 HD3 PRO 22 -1.340 6.837 8.144 181 H LYS 23 H LYS 23 -1.552 4.244 11.216 182 HA LYS 23 HA LYS 23 -2.793 2.039 12.549 183 HB2 LYS 23 HB2 LYS 23 -0.364 3.698 13.354 184 HB3 LYS 23 HB3 LYS 23 -0.807 2.160 14.072 185 HG2 LYS 23 HG2 LYS 23 -0.203 2.487 11.108 186 HG3 LYS 23 HG3 LYS 23 1.019 2.086 12.318 187 HD2 LYS 23 HD2 LYS 23 -0.258 0.035 12.915 188 HD3 LYS 23 HD3 LYS 23 -1.452 0.423 11.655 189 HE2 LYS 23 HE2 LYS 23 0.332 0.347 9.934 190 HE3 LYS 23 HE3 LYS 23 1.527 -0.033 11.179 191 HZ1 LYS 23 HZ1 LYS 23 0.312 -2.089 11.624 192 HZ2 LYS 23 HZ2 LYS 23 -0.794 -1.746 10.473 193 HZ3 LYS 23 HZ3 LYS 23 0.755 -2.031 10.059 194 H ILE 24 H ILE 24 -2.491 5.447 13.399 195 HA ILE 24 HA ILE 24 -4.203 4.971 15.774 196 HB ILE 24 HB ILE 24 -2.495 5.935 16.656 197 HG12 ILE 24 HG12 ILE 24 -4.494 7.370 17.137 198 HG13 ILE 24 HG13 ILE 24 -2.938 7.983 17.482 199 HG21 ILE 24 HG21 ILE 24 -1.970 7.557 14.174 200 HG22 ILE 24 HG22 ILE 24 -1.146 7.872 15.726 201 HG23 ILE 24 HG23 ILE 24 -0.971 6.304 14.944 202 HD11 ILE 24 HD11 ILE 24 -3.670 9.863 16.569 203 HD12 ILE 24 HD12 ILE 24 -3.314 9.134 14.998 204 HD13 ILE 24 HD13 ILE 24 -4.960 9.060 15.641 205 H ASP 25 H ASP 25 -4.689 6.175 12.533 206 HA ASP 25 HA ASP 25 -7.018 7.722 13.154 207 HB2 ASP 25 HB2 ASP 25 -6.026 7.625 10.921 208 HB3 ASP 25 HB3 ASP 25 -6.388 5.896 10.806 209 H SER 26 H SER 26 -6.411 4.279 12.830 210 HA SER 26 HA SER 26 -8.927 3.098 13.332 211 HB2 SER 26 HB2 SER 26 -6.190 2.219 14.328 212 HB3 SER 26 HB3 SER 26 -7.617 1.188 14.115 213 HG SER 26 HG SER 26 -6.012 2.446 12.116 214 H LEU 27 H LEU 27 -6.764 4.765 15.602 215 HA LEU 27 HA LEU 27 -8.331 3.975 17.950 216 HB2 LEU 27 HB2 LEU 27 -6.053 4.019 18.444 217 HB3 LEU 27 HB3 LEU 27 -5.754 5.457 17.487 218 HG LEU 27 HG LEU 27 -6.976 6.852 19.114 219 HD11 LEU 27 HD11 LEU 27 -7.495 5.907 21.348 220 HD12 LEU 27 HD12 LEU 27 -8.415 5.036 20.130 221 HD13 LEU 27 HD13 LEU 27 -6.963 4.297 20.819 222 HD21 LEU 27 HD21 LEU 27 -5.211 6.755 20.861 223 HD22 LEU 27 HD22 LEU 27 -4.706 5.160 20.286 224 HD23 LEU 27 HD23 LEU 27 -4.504 6.592 19.257 225 H ALA 28 H ALA 28 -7.542 7.002 16.173 226 HA ALA 28 HA ALA 28 -9.139 8.758 17.597 227 HB1 ALA 28 HB1 ALA 28 -8.916 10.232 15.640 228 HB2 ALA 28 HB2 ALA 28 -7.398 9.354 15.902 229 HB3 ALA 28 HB3 ALA 28 -8.503 8.837 14.618 230 H GLN 29 H GLN 29 -10.246 6.549 15.071 231 HA GLN 29 HA GLN 29 -12.909 7.668 14.914 232 HB2 GLN 29 HB2 GLN 29 -11.954 4.864 14.239 233 HB3 GLN 29 HB3 GLN 29 -13.547 5.509 13.860 234 HG2 GLN 29 HG2 GLN 29 -10.905 6.360 12.666 235 HG3 GLN 29 HG3 GLN 29 -12.253 5.609 11.860 236 HE21 GLN 29 HE21 GLN 29 -12.020 9.453 11.417 237 HE22 GLN 29 HE22 GLN 29 -10.698 8.278 11.539 238 H ASN 30 H ASN 30 -11.486 6.138 17.518 239 HA ASN 30 HA ASN 30 -14.051 5.248 18.692 240 HB2 ASN 30 HB2 ASN 30 -11.296 3.951 18.799 241 HB3 ASN 30 HB3 ASN 30 -12.651 3.469 19.818 242 HD21 ASN 30 HD21 ASN 30 -12.468 1.948 16.120 243 HD22 ASN 30 HD22 ASN 30 -11.130 2.871 16.779 244 H ASP 31 H ASP 31 -10.777 6.473 19.480 245 HA ASP 31 HA ASP 31 -11.887 8.168 21.602 246 HB2 ASP 31 HB2 ASP 31 -11.413 6.067 22.801 247 HB3 ASP 31 HB3 ASP 31 -9.745 6.097 22.222 248 H CYS 32 H CYS 32 -11.257 9.686 19.846 249 HA CYS 32 HA CYS 32 -8.555 10.071 19.095 250 HB2 CYS 32 HB2 CYS 32 -10.595 10.953 17.922 251 HB3 CYS 32 HB3 CYS 32 -10.813 12.117 19.236 252 HG CYS 32 HG CYS 32 -8.324 11.768 17.066 253 H ASN 33 H ASN 33 -10.095 10.921 22.098 254 HA ASN 33 HA ASN 33 -8.346 12.938 23.053 255 HB2 ASN 33 HB2 ASN 33 -9.549 10.734 24.754 256 HB3 ASN 33 HB3 ASN 33 -9.146 12.371 25.237 257 HD21 ASN 33 HD21 ASN 33 -12.801 11.580 23.747 258 HD22 ASN 33 HD22 ASN 33 -11.595 10.312 24.018 259 H SER 34 H SER 34 -7.829 9.440 22.708 260 HA SER 34 HA SER 34 -5.152 9.594 23.997 261 HB2 SER 34 HB2 SER 34 -6.607 7.289 22.675 262 HB3 SER 34 HB3 SER 34 -5.016 7.204 23.450 263 HG SER 34 HG SER 34 -7.583 7.476 24.572 264 H ALA 35 H ALA 35 -6.624 9.503 20.761 265 HA ALA 35 HA ALA 35 -4.301 8.886 19.229 266 HB1 ALA 35 HB1 ALA 35 -6.700 10.664 18.619 267 HB2 ALA 35 HB2 ALA 35 -5.605 10.146 17.424 268 HB3 ALA 35 HB3 ALA 35 -6.571 8.908 18.238 269 H LEU 36 H LEU 36 -5.352 12.022 20.587 270 HA LEU 36 HA LEU 36 -3.322 13.531 19.315 271 HB2 LEU 36 HB2 LEU 36 -4.029 15.330 20.670 272 HB3 LEU 36 HB3 LEU 36 -5.436 14.321 20.504 273 HG LEU 36 HG LEU 36 -4.555 13.304 22.843 274 HD11 LEU 36 HD11 LEU 36 -3.526 16.184 22.886 275 HD12 LEU 36 HD12 LEU 36 -3.603 15.072 24.268 276 HD13 LEU 36 HD13 LEU 36 -2.490 14.745 22.945 277 HD21 LEU 36 HD21 LEU 36 -6.718 14.435 22.440 278 HD22 LEU 36 HD22 LEU 36 -6.013 14.877 24.001 279 HD23 LEU 36 HD23 LEU 36 -5.913 16.016 22.640 280 H ASP 37 H ASP 37 -3.176 11.545 22.174 281 HA ASP 37 HA ASP 37 -0.449 12.282 22.922 282 HB2 ASP 37 HB2 ASP 37 -2.228 9.988 23.809 283 HB3 ASP 37 HB3 ASP 37 -0.632 10.323 24.459 284 H GLN 38 H GLN 38 -1.475 10.835 20.212 285 HA GLN 38 HA GLN 38 1.036 9.302 19.961 286 HB2 GLN 38 HB2 GLN 38 -1.504 9.049 18.426 287 HB3 GLN 38 HB3 GLN 38 -0.045 8.117 18.082 288 HG2 GLN 38 HG2 GLN 38 -1.565 8.022 20.732 289 HG3 GLN 38 HG3 GLN 38 -1.849 6.912 19.405 290 HE21 GLN 38 HE21 GLN 38 1.556 6.448 21.657 291 HE22 GLN 38 HE22 GLN 38 0.687 7.984 21.741 292 H LEU 39 H LEU 39 -1.159 11.196 17.694 293 HA LEU 39 HA LEU 39 1.078 11.692 15.969 294 HB2 LEU 39 HB2 LEU 39 -1.441 13.400 16.196 295 HB3 LEU 39 HB3 LEU 39 -0.317 13.351 14.837 296 HG LEU 39 HG LEU 39 -2.226 11.205 15.757 297 HD11 LEU 39 HD11 LEU 39 -3.162 13.083 14.421 298 HD12 LEU 39 HD12 LEU 39 -2.032 12.690 13.109 299 HD13 LEU 39 HD13 LEU 39 -3.283 11.526 13.597 300 HD21 LEU 39 HD21 LEU 39 -0.194 10.049 14.959 301 HD22 LEU 39 HD22 LEU 39 -1.447 9.917 13.720 302 HD23 LEU 39 HD23 LEU 39 -0.138 11.092 13.521 303 H LEU 40 H LEU 40 -0.156 13.781 18.681 304 HA LEU 40 HA LEU 40 1.777 15.865 17.841 305 HB2 LEU 40 HB2 LEU 40 0.068 15.895 20.321 306 HB3 LEU 40 HB3 LEU 40 0.997 17.199 19.637 307 HG LEU 40 HG LEU 40 -0.888 17.959 18.685 308 HD11 LEU 40 HD11 LEU 40 -1.682 17.176 16.622 309 HD12 LEU 40 HD12 LEU 40 0.058 16.822 16.623 310 HD13 LEU 40 HD13 LEU 40 -1.118 15.536 16.899 311 HD21 LEU 40 HD21 LEU 40 -2.092 16.451 20.275 312 HD22 LEU 40 HD22 LEU 40 -2.956 16.954 18.826 313 HD23 LEU 40 HD23 LEU 40 -2.259 15.316 18.921 314 H VAL 41 H VAL 41 1.927 13.009 19.673 315 HA VAL 41 HA VAL 41 4.292 13.771 21.202 316 HB VAL 41 HB VAL 41 2.984 11.098 20.699 317 HG11 VAL 41 HG11 VAL 41 5.347 10.629 21.021 318 HG12 VAL 41 HG12 VAL 41 5.413 11.710 22.433 319 HG13 VAL 41 HG13 VAL 41 4.469 10.203 22.487 320 HG21 VAL 41 HG21 VAL 41 1.751 12.620 22.215 321 HG22 VAL 41 HG22 VAL 41 2.482 11.312 23.163 322 HG23 VAL 41 HG23 VAL 41 3.221 12.920 23.155 323 H LEU 42 H LEU 42 3.564 12.148 18.075 324 HA LEU 42 HA LEU 42 6.259 11.647 17.310 325 HB2 LEU 42 HB2 LEU 42 3.864 12.588 15.711 326 HB3 LEU 42 HB3 LEU 42 5.371 12.091 14.982 327 HG LEU 42 HG LEU 42 3.616 10.267 16.688 328 HD11 LEU 42 HD11 LEU 42 3.964 10.141 13.672 329 HD12 LEU 42 HD12 LEU 42 2.875 9.202 14.692 330 HD13 LEU 42 HD13 LEU 42 2.601 10.940 14.453 331 HD21 LEU 42 HD21 LEU 42 5.818 9.482 16.861 332 HD22 LEU 42 HD22 LEU 42 5.204 8.560 15.477 333 HD23 LEU 42 HD23 LEU 42 6.248 10.002 15.227 334 H GLU 43 H GLU 43 4.238 14.582 16.839 335 HA GLU 43 HA GLU 43 6.220 16.272 15.799 336 HB2 GLU 43 HB2 GLU 43 3.760 16.761 16.202 337 HB3 GLU 43 HB3 GLU 43 4.169 17.169 17.849 338 HG2 GLU 43 HG2 GLU 43 5.232 18.490 15.316 339 HG3 GLU 43 HG3 GLU 43 4.014 19.163 16.385 340 H LYS 44 H LYS 44 5.485 15.614 19.238 341 HA LYS 44 HA LYS 44 7.461 17.305 20.374 342 HB2 LYS 44 HB2 LYS 44 5.512 16.243 21.552 343 HB3 LYS 44 HB3 LYS 44 6.364 14.698 21.511 344 HG2 LYS 44 HG2 LYS 44 8.200 15.646 22.888 345 HG3 LYS 44 HG3 LYS 44 7.454 17.240 22.819 346 HD2 LYS 44 HD2 LYS 44 6.992 16.331 24.964 347 HD3 LYS 44 HD3 LYS 44 5.471 16.338 24.064 348 HE2 LYS 44 HE2 LYS 44 5.742 13.910 23.589 349 HE3 LYS 44 HE3 LYS 44 7.311 13.917 24.410 350 HZ1 LYS 44 HZ1 LYS 44 5.559 13.126 25.889 351 HZ2 LYS 44 HZ2 LYS 44 6.157 14.520 26.468 352 HZ3 LYS 44 HZ3 LYS 44 4.709 14.504 25.726 353 H LYS 45 H LYS 45 7.741 13.896 19.443 354 HA LYS 45 HA LYS 45 10.522 13.643 20.226 355 HB2 LYS 45 HB2 LYS 45 8.801 11.793 19.798 356 HB3 LYS 45 HB3 LYS 45 9.006 12.085 18.070 357 HG2 LYS 45 HG2 LYS 45 11.441 11.528 18.273 358 HG3 LYS 45 HG3 LYS 45 11.255 11.385 20.023 359 HD2 LYS 45 HD2 LYS 45 11.280 9.155 19.245 360 HD3 LYS 45 HD3 LYS 45 9.608 9.514 19.648 361 HE2 LYS 45 HE2 LYS 45 9.462 8.345 17.627 362 HE3 LYS 45 HE3 LYS 45 9.248 10.026 17.138 363 HZ1 LYS 45 HZ1 LYS 45 10.815 8.824 15.706 364 HZ2 LYS 45 HZ2 LYS 45 11.628 10.015 16.469 365 HZ3 LYS 45 HZ3 LYS 45 11.779 8.466 16.962 366 H THR 46 H THR 46 8.968 14.502 17.102 367 HA THR 46 HA THR 46 11.400 14.766 15.634 368 HB THR 46 HB THR 46 10.173 15.936 13.978 369 HG1 THR 46 HG1 THR 46 8.319 16.240 15.992 370 HG21 THR 46 HG21 THR 46 9.085 13.363 15.089 371 HG22 THR 46 HG22 THR 46 8.160 14.224 13.857 372 HG23 THR 46 HG23 THR 46 9.855 13.757 13.540 373 H ARG 47 H ARG 47 9.665 17.333 17.497 374 HA ARG 47 HA ARG 47 11.534 19.392 16.738 375 HB2 ARG 47 HB2 ARG 47 10.432 20.818 18.195 376 HB3 ARG 47 HB3 ARG 47 9.183 19.615 17.931 377 HG2 ARG 47 HG2 ARG 47 9.830 18.528 20.091 378 HG3 ARG 47 HG3 ARG 47 11.057 19.782 20.319 379 HD2 ARG 47 HD2 ARG 47 9.357 20.510 21.651 380 HD3 ARG 47 HD3 ARG 47 9.129 21.469 20.191 381 HE ARG 47 HE ARG 47 7.341 19.694 19.562 382 HH11 ARG 47 HH11 ARG 47 5.482 19.088 20.163 383 HH12 ARG 47 HH12 ARG 47 4.927 19.169 21.846 384 HH21 ARG 47 HH21 ARG 47 7.894 20.478 22.981 385 HH22 ARG 47 HH22 ARG 47 6.289 19.932 23.377 386 H GLN 48 H GLN 48 11.641 17.002 19.344 387 HA GLN 48 HA GLN 48 13.975 18.189 20.570 388 HB2 GLN 48 HB2 GLN 48 12.433 15.627 21.110 389 HB3 GLN 48 HB3 GLN 48 13.842 16.139 22.052 390 HG2 GLN 48 HG2 GLN 48 11.266 17.715 21.736 391 HG3 GLN 48 HG3 GLN 48 11.725 16.790 23.155 392 HE21 GLN 48 HE21 GLN 48 12.497 20.492 23.617 393 HE22 GLN 48 HE22 GLN 48 11.038 19.624 23.182 394 H ALA 49 H ALA 49 13.431 15.352 18.479 395 HA ALA 49 HA ALA 49 16.145 14.404 18.630 396 HB1 ALA 49 HB1 ALA 49 13.801 13.671 16.817 397 HB2 ALA 49 HB2 ALA 49 15.274 12.707 17.064 398 HB3 ALA 49 HB3 ALA 49 14.142 12.959 18.407 399 H SER 50 H SER 50 14.951 17.033 16.973 400 HA SER 50 HA SER 50 15.381 18.194 15.124 401 HB2 SER 50 HB2 SER 50 18.070 16.800 15.016 402 HB3 SER 50 HB3 SER 50 17.605 18.277 14.146 403 HG SER 50 HG SER 50 18.723 18.682 16.123 404 H ASP 51 H ASP 51 13.978 15.749 14.888 405 HA ASP 51 HA ASP 51 14.291 15.015 12.006 406 HB2 ASP 51 HB2 ASP 51 12.541 13.832 14.182 407 HB3 ASP 51 HB3 ASP 51 12.536 13.312 12.498 408 H LEU 52 H LEU 52 13.454 17.620 13.148 409 HA LEU 52 HA LEU 52 10.756 18.068 13.241 410 HB2 LEU 52 HB2 LEU 52 11.234 20.331 13.316 411 HB3 LEU 52 HB3 LEU 52 12.519 19.467 14.176 412 HG LEU 52 HG LEU 52 12.766 20.596 11.347 413 HD11 LEU 52 HD11 LEU 52 14.063 22.408 12.431 414 HD12 LEU 52 HD12 LEU 52 12.373 22.376 12.958 415 HD13 LEU 52 HD13 LEU 52 13.644 21.733 14.025 416 HD21 LEU 52 HD21 LEU 52 14.812 19.526 13.322 417 HD22 LEU 52 HD22 LEU 52 14.380 18.837 11.738 418 HD23 LEU 52 HD23 LEU 52 15.217 20.390 11.820 419 H ALA 53 H ALA 53 12.604 17.839 10.409 420 HA ALA 53 HA ALA 53 10.924 19.089 8.460 421 HB1 ALA 53 HB1 ALA 53 11.790 17.273 6.942 422 HB2 ALA 53 HB2 ALA 53 13.064 18.096 7.869 423 HB3 ALA 53 HB3 ALA 53 12.502 16.492 8.379 424 H SER 54 H SER 54 10.379 16.270 10.447 425 HA SER 54 HA SER 54 7.790 15.501 9.268 426 HB2 SER 54 HB2 SER 54 8.766 14.862 12.012 427 HB3 SER 54 HB3 SER 54 7.665 13.897 11.029 428 HG SER 54 HG SER 54 10.458 14.148 11.030 429 H SER 55 H SER 55 8.793 17.010 12.455 430 HA SER 55 HA SER 55 6.462 17.846 13.555 431 HB2 SER 55 HB2 SER 55 8.509 18.579 14.606 432 HB3 SER 55 HB3 SER 55 9.006 19.455 13.168 433 HG SER 55 HG SER 55 7.290 20.172 15.189 434 H LYS 56 H LYS 56 8.038 19.516 10.904 435 HA LYS 56 HA LYS 56 6.248 21.691 10.519 436 HB2 LYS 56 HB2 LYS 56 8.098 20.229 8.596 437 HB3 LYS 56 HB3 LYS 56 7.187 21.674 8.132 438 HG2 LYS 56 HG2 LYS 56 8.246 22.991 9.907 439 HG3 LYS 56 HG3 LYS 56 9.140 21.576 10.475 440 HD2 LYS 56 HD2 LYS 56 10.290 21.425 8.267 441 HD3 LYS 56 HD3 LYS 56 9.399 22.859 7.717 442 HE2 LYS 56 HE2 LYS 56 10.409 24.177 9.578 443 HE3 LYS 56 HE3 LYS 56 11.314 22.753 10.104 444 HZ1 LYS 56 HZ1 LYS 56 12.673 24.197 8.697 445 HZ2 LYS 56 HZ2 LYS 56 12.452 22.780 7.932 446 HZ3 LYS 56 HZ3 LYS 56 11.616 24.098 7.471 447 H GLU 57 H GLU 57 5.658 18.392 9.660 448 HA GLU 57 HA GLU 57 3.309 19.077 7.978 449 HB2 GLU 57 HB2 GLU 57 4.699 16.468 8.594 450 HB3 GLU 57 HB3 GLU 57 3.216 16.576 7.660 451 HG2 GLU 57 HG2 GLU 57 5.859 17.904 6.945 452 HG3 GLU 57 HG3 GLU 57 5.267 16.391 6.260 453 H VAL 58 H VAL 58 4.178 17.678 11.180 454 HA VAL 58 HA VAL 58 1.448 16.941 11.834 455 HB VAL 58 HB VAL 58 3.233 17.805 14.063 456 HG11 VAL 58 HG11 VAL 58 2.081 15.941 15.169 457 HG12 VAL 58 HG12 VAL 58 0.879 16.932 14.360 458 HG13 VAL 58 HG13 VAL 58 1.393 15.395 13.643 459 HG21 VAL 58 HG21 VAL 58 4.798 16.459 12.691 460 HG22 VAL 58 HG22 VAL 58 4.356 15.653 14.200 461 HG23 VAL 58 HG23 VAL 58 3.595 15.142 12.696 462 H LEU 59 H LEU 59 3.371 19.841 12.292 463 HA LEU 59 HA LEU 59 1.739 21.339 13.984 464 HB2 LEU 59 HB2 LEU 59 3.602 22.088 11.752 465 HB3 LEU 59 HB3 LEU 59 2.769 23.331 12.679 466 HG LEU 59 HG LEU 59 4.433 21.172 14.044 467 HD11 LEU 59 HD11 LEU 59 6.211 22.796 14.265 468 HD12 LEU 59 HD12 LEU 59 5.865 22.539 12.561 469 HD13 LEU 59 HD13 LEU 59 5.278 24.015 13.371 470 HD21 LEU 59 HD21 LEU 59 2.951 22.119 15.616 471 HD22 LEU 59 HD22 LEU 59 4.472 22.968 15.844 472 HD23 LEU 59 HD23 LEU 59 3.167 23.772 14.968 473 H ALA 60 H ALA 60 1.139 20.801 10.573 474 HA ALA 60 HA ALA 60 -0.990 22.743 10.473 475 HB1 ALA 60 HB1 ALA 60 -0.084 20.539 8.553 476 HB2 ALA 60 HB2 ALA 60 -1.223 21.841 8.125 477 HB3 ALA 60 HB3 ALA 60 0.465 22.228 8.521 478 H LYS 61 H LYS 61 -1.004 19.716 11.826 479 HA LYS 61 HA LYS 61 -3.913 19.884 11.957 480 HB2 LYS 61 HB2 LYS 61 -4.430 17.948 11.223 481 HB3 LYS 61 HB3 LYS 61 -2.863 17.987 10.444 482 HG2 LYS 61 HG2 LYS 61 -3.469 16.561 13.069 483 HG3 LYS 61 HG3 LYS 61 -3.550 15.809 11.500 484 HD2 LYS 61 HD2 LYS 61 -1.061 16.978 12.761 485 HD3 LYS 61 HD3 LYS 61 -1.461 15.275 12.694 486 HE2 LYS 61 HE2 LYS 61 -0.927 17.087 10.285 487 HE3 LYS 61 HE3 LYS 61 0.186 15.883 10.932 488 HZ1 LYS 61 HZ1 LYS 61 -0.975 15.030 9.004 489 HZ2 LYS 61 HZ2 LYS 61 -1.394 14.142 10.292 490 HZ3 LYS 61 HZ3 LYS 61 -2.434 15.247 9.680 491 H ILE 62 H ILE 62 -1.244 20.222 13.577 492 HA ILE 62 HA ILE 62 -1.722 19.317 16.170 493 HB ILE 62 HB ILE 62 -0.048 21.072 14.845 494 HG12 ILE 62 HG12 ILE 62 1.101 21.299 17.126 495 HG13 ILE 62 HG13 ILE 62 -0.181 20.214 17.706 496 HG21 ILE 62 HG21 ILE 62 -1.375 22.810 16.915 497 HG22 ILE 62 HG22 ILE 62 0.112 23.157 15.999 498 HG23 ILE 62 HG23 ILE 62 -1.405 22.997 15.133 499 HD11 ILE 62 HD11 ILE 62 1.945 19.769 15.579 500 HD12 ILE 62 HD12 ILE 62 1.610 18.785 17.020 501 HD13 ILE 62 HD13 ILE 62 0.492 18.769 15.618 502 H VAL 63 H VAL 63 -3.414 21.926 14.405 503 HA VAL 63 HA VAL 63 -4.986 22.649 16.784 504 HB VAL 63 HB VAL 63 -4.574 24.218 14.967 505 HG11 VAL 63 HG11 VAL 63 -4.954 22.686 13.011 506 HG12 VAL 63 HG12 VAL 63 -6.696 22.760 13.378 507 HG13 VAL 63 HG13 VAL 63 -5.827 24.235 12.936 508 HG21 VAL 63 HG21 VAL 63 -7.432 23.602 15.742 509 HG22 VAL 63 HG22 VAL 63 -6.265 24.661 16.576 510 HG23 VAL 63 HG23 VAL 63 -6.923 25.113 14.985 511 H ASP 64 H ASP 64 -5.432 20.520 14.079 512 HA ASP 64 HA ASP 64 -8.120 19.897 14.537 513 HB2 ASP 64 HB2 ASP 64 -6.046 18.230 13.033 514 HB3 ASP 64 HB3 ASP 64 -7.773 17.959 12.954 515 H LEU 65 H LEU 65 -5.344 18.597 16.111 516 HA LEU 65 HA LEU 65 -7.121 16.640 17.528 517 HB2 LEU 65 HB2 LEU 65 -4.168 16.441 16.969 518 HB3 LEU 65 HB3 LEU 65 -4.941 15.637 18.337 519 HG LEU 65 HG LEU 65 -6.585 14.600 16.604 520 HD11 LEU 65 HD11 LEU 65 -5.897 15.952 14.665 521 HD12 LEU 65 HD12 LEU 65 -4.235 15.343 14.817 522 HD13 LEU 65 HD13 LEU 65 -5.565 14.239 14.380 523 HD21 LEU 65 HD21 LEU 65 -3.681 13.785 16.846 524 HD22 LEU 65 HD22 LEU 65 -5.064 13.279 17.849 525 HD23 LEU 65 HD23 LEU 65 -4.975 12.763 16.169 526 H LEU 66 H LEU 66 -4.360 18.960 18.172 527 HA LEU 66 HA LEU 66 -4.672 18.695 20.980 528 HB2 LEU 66 HB2 LEU 66 -2.703 19.570 19.399 529 HB3 LEU 66 HB3 LEU 66 -3.435 21.134 19.720 530 HG LEU 66 HG LEU 66 -3.058 20.756 22.157 531 HD11 LEU 66 HD11 LEU 66 -2.881 18.243 22.128 532 HD12 LEU 66 HD12 LEU 66 -1.348 18.410 21.237 533 HD13 LEU 66 HD13 LEU 66 -1.503 19.037 22.888 534 HD21 LEU 66 HD21 LEU 66 -0.743 20.659 20.192 535 HD22 LEU 66 HD22 LEU 66 -1.507 22.093 20.934 536 HD23 LEU 66 HD23 LEU 66 -0.527 20.985 21.910 537 H ALA 67 H ALA 67 -5.434 21.739 19.106 538 HA ALA 67 HA ALA 67 -7.140 22.866 21.074 539 HB1 ALA 67 HB1 ALA 67 -7.090 23.051 18.036 540 HB2 ALA 67 HB2 ALA 67 -8.053 24.127 19.076 541 HB3 ALA 67 HB3 ALA 67 -6.286 24.120 19.191 542 H SER 68 H SER 68 -7.899 20.544 18.572 543 HA SER 68 HA SER 68 -10.722 20.651 18.675 544 HB2 SER 68 HB2 SER 68 -9.347 19.713 16.859 545 HB3 SER 68 HB3 SER 68 -8.893 18.356 17.913 546 HG SER 68 HG SER 68 -10.571 17.827 16.503 547 H ARG 69 H ARG 69 -8.488 18.781 20.691 548 HA ARG 69 HA ARG 69 -10.765 17.436 22.107 549 HB2 ARG 69 HB2 ARG 69 -7.917 16.462 21.773 550 HB3 ARG 69 HB3 ARG 69 -9.221 15.601 22.596 551 HG2 ARG 69 HG2 ARG 69 -9.015 16.207 19.620 552 HG3 ARG 69 HG3 ARG 69 -8.819 14.640 20.403 553 HD2 ARG 69 HD2 ARG 69 -11.188 14.641 21.075 554 HD3 ARG 69 HD3 ARG 69 -11.400 16.267 20.396 555 HE ARG 69 HE ARG 69 -10.376 14.434 18.410 556 HH11 ARG 69 HH11 ARG 69 -13.410 15.359 19.931 557 HH12 ARG 69 HH12 ARG 69 -14.338 14.818 18.555 558 HH21 ARG 69 HH21 ARG 69 -11.628 13.798 16.727 559 HH22 ARG 69 HH22 ARG 69 -13.363 13.960 16.815 560 H ASN 70 H ASN 70 -10.051 19.993 22.649 561 HA ASN 70 HA ASN 70 -9.769 21.414 24.247 562 HB2 ASN 70 HB2 ASN 70 -10.409 19.075 26.061 563 HB3 ASN 70 HB3 ASN 70 -10.425 20.755 26.584 564 HD21 ASN 70 HD21 ASN 70 -13.796 19.462 25.110 565 HD22 ASN 70 HD22 ASN 70 -12.572 18.476 25.897 566 H LYS 71 H LYS 71 -7.246 20.209 23.391 567 HA LYS 71 HA LYS 71 -5.601 21.256 25.607 568 HB2 LYS 71 HB2 LYS 71 -4.703 19.541 23.272 569 HB3 LYS 71 HB3 LYS 71 -3.661 20.149 24.559 570 HG2 LYS 71 HG2 LYS 71 -5.928 18.137 24.861 571 HG3 LYS 71 HG3 LYS 71 -4.200 17.790 24.834 572 HD2 LYS 71 HD2 LYS 71 -3.871 19.102 26.912 573 HD3 LYS 71 HD3 LYS 71 -5.620 19.433 26.974 574 HE2 LYS 71 HE2 LYS 71 -6.099 17.011 27.081 575 HE3 LYS 71 HE3 LYS 71 -4.366 16.652 27.006 576 HZ1 LYS 71 HZ1 LYS 71 -5.700 18.155 29.190 577 HZ2 LYS 71 HZ2 LYS 71 -5.171 16.619 29.283 578 HZ3 LYS 71 HZ3 LYS 71 -4.102 17.834 29.118 579 H TRP 72 H TRP 72 -7.232 22.750 23.728 580 HA TRP 72 HA TRP 72 -5.761 24.384 21.983 581 HB2 TRP 72 HB2 TRP 72 -7.415 26.206 23.054 582 HB3 TRP 72 HB3 TRP 72 -7.926 24.976 21.922 583 HD1 TRP 72 HD1 TRP 72 -9.975 23.726 22.511 584 HE1 TRP 72 HE1 TRP 72 -11.405 23.298 24.579 585 HE3 TRP 72 HE3 TRP 72 -7.069 26.092 26.027 586 HZ2 TRP 72 HZ2 TRP 72 -11.237 23.756 27.425 587 HZ3 TRP 72 HZ3 TRP 72 -7.716 26.031 28.418 588 HH2 TRP 72 HH2 TRP 72 -9.794 24.869 29.132 589 H ASP 73 H ASP 73 -5.548 24.357 25.498 590 HA ASP 73 HA ASP 73 -4.204 26.795 25.947 591 HB2 ASP 73 HB2 ASP 73 -5.145 25.123 27.599 592 HB3 ASP 73 HB3 ASP 73 -3.761 24.083 27.276 593 H ASP 74 H ASP 74 -2.995 23.772 24.525 594 HA ASP 74 HA ASP 74 -0.213 24.630 24.667 595 HB2 ASP 74 HB2 ASP 74 -1.520 22.112 23.643 596 HB3 ASP 74 HB3 ASP 74 0.221 22.405 23.646 597 H LEU 75 H LEU 75 -2.743 25.041 22.262 598 HA LEU 75 HA LEU 75 -1.173 25.128 19.878 599 HB2 LEU 75 HB2 LEU 75 -3.762 26.152 20.765 600 HB3 LEU 75 HB3 LEU 75 -2.931 27.128 19.547 601 HG LEU 75 HG LEU 75 -4.626 25.427 18.804 602 HD11 LEU 75 HD11 LEU 75 -3.317 24.749 16.772 603 HD12 LEU 75 HD12 LEU 75 -3.387 26.461 17.187 604 HD13 LEU 75 HD13 LEU 75 -1.904 25.525 17.526 605 HD21 LEU 75 HD21 LEU 75 -4.006 23.127 18.512 606 HD22 LEU 75 HD22 LEU 75 -2.385 23.410 19.152 607 HD23 LEU 75 HD23 LEU 75 -3.800 23.534 20.224 608 H ASN 76 H ASN 76 -1.468 27.557 22.457 609 HA ASN 76 HA ASN 76 0.153 29.591 21.321 610 HB2 ASN 76 HB2 ASN 76 -1.048 29.981 23.374 611 HB3 ASN 76 HB3 ASN 76 -0.216 28.650 24.191 612 HD21 ASN 76 HD21 ASN 76 2.256 31.864 23.596 613 HD22 ASN 76 HD22 ASN 76 1.586 31.053 22.194 614 H GLU 77 H GLU 77 1.138 26.650 23.100 615 HA GLU 77 HA GLU 77 3.947 27.167 22.886 616 HB2 GLU 77 HB2 GLU 77 2.855 25.586 24.558 617 HB3 GLU 77 HB3 GLU 77 2.676 24.455 23.229 618 HG2 GLU 77 HG2 GLU 77 4.636 23.786 24.336 619 HG3 GLU 77 HG3 GLU 77 5.199 24.566 22.872 620 H GLN 78 H GLN 78 1.557 25.500 20.775 621 HA GLN 78 HA GLN 78 3.532 24.351 19.065 622 HB2 GLN 78 HB2 GLN 78 0.729 25.058 18.192 623 HB3 GLN 78 HB3 GLN 78 1.819 23.872 17.484 624 HG2 GLN 78 HG2 GLN 78 0.249 23.684 20.047 625 HG3 GLN 78 HG3 GLN 78 0.215 22.617 18.701 626 HE21 GLN 78 HE21 GLN 78 2.705 21.894 21.797 627 HE22 GLN 78 HE22 GLN 78 1.586 23.268 21.789 628 H LEU 79 H LEU 79 2.307 27.584 19.161 629 HA LEU 79 HA LEU 79 3.639 28.380 16.688 630 HB2 LEU 79 HB2 LEU 79 1.948 29.613 18.842 631 HB3 LEU 79 HB3 LEU 79 3.023 30.698 17.993 632 HG LEU 79 HG LEU 79 0.795 30.679 16.990 633 HD11 LEU 79 HD11 LEU 79 2.836 31.188 15.670 634 HD12 LEU 79 HD12 LEU 79 2.882 29.501 15.106 635 HD13 LEU 79 HD13 LEU 79 1.525 30.529 14.695 636 HD21 LEU 79 HD21 LEU 79 0.216 28.267 17.381 637 HD22 LEU 79 HD22 LEU 79 -0.127 28.809 15.721 638 HD23 LEU 79 HD23 LEU 79 1.315 27.823 16.067 639 H THR 80 H THR 80 4.426 28.198 20.052 640 HA THR 80 HA THR 80 6.893 29.765 19.941 641 HB THR 80 HB THR 80 5.526 27.912 21.859 642 HG1 THR 80 HG1 THR 80 4.675 29.856 21.848 643 HG21 THR 80 HG21 THR 80 7.228 28.551 23.557 644 HG22 THR 80 HG22 THR 80 7.773 27.417 22.307 645 HG23 THR 80 HG23 THR 80 8.255 29.136 22.213 646 H LEU 81 H LEU 81 6.030 26.361 19.559 647 HA LEU 81 HA LEU 81 8.128 24.787 19.991 648 HB2 LEU 81 HB2 LEU 81 5.833 24.842 18.234 649 HB3 LEU 81 HB3 LEU 81 7.147 24.037 17.404 650 HG LEU 81 HG LEU 81 7.403 22.444 19.199 651 HD11 LEU 81 HD11 LEU 81 5.874 22.251 21.059 652 HD12 LEU 81 HD12 LEU 81 6.588 23.868 21.145 653 HD13 LEU 81 HD13 LEU 81 4.946 23.631 20.523 654 HD21 LEU 81 HD21 LEU 81 5.891 22.014 17.371 655 HD22 LEU 81 HD22 LEU 81 5.140 21.376 18.858 656 HD23 LEU 81 HD23 LEU 81 4.574 22.876 18.143 657 H LEU 82 H LEU 82 7.948 25.871 16.605 658 HA LEU 82 HA LEU 82 10.853 25.431 16.438 659 HB2 LEU 82 HB2 LEU 82 9.085 26.542 14.232 660 HB3 LEU 82 HB3 LEU 82 10.683 25.843 14.077 661 HG LEU 82 HG LEU 82 8.148 24.351 14.875 662 HD11 LEU 82 HD11 LEU 82 8.445 23.212 12.720 663 HD12 LEU 82 HD12 LEU 82 8.272 24.964 12.491 664 HD13 LEU 82 HD13 LEU 82 9.880 24.205 12.377 665 HD21 LEU 82 HD21 LEU 82 9.569 22.300 14.627 666 HD22 LEU 82 HD22 LEU 82 11.003 23.346 14.524 667 HD23 LEU 82 HD23 LEU 82 10.028 23.296 16.010 668 H SER 83 H SER 83 8.969 28.081 17.304 669 HA SER 83 HA SER 83 10.838 30.203 16.567 670 HB2 SER 83 HB2 SER 83 8.411 30.606 16.855 671 HB3 SER 83 HB3 SER 83 8.549 30.207 18.569 672 HG SER 83 HG SER 83 10.087 31.940 18.735 673 H LYS 84 H LYS 84 10.817 27.805 19.084 674 HA LYS 84 HA LYS 84 12.245 29.053 21.163 675 HB2 LYS 84 HB2 LYS 84 12.513 26.231 20.030 676 HB3 LYS 84 HB3 LYS 84 13.263 26.762 21.533 677 HG2 LYS 84 HG2 LYS 84 11.059 27.221 22.531 678 HG3 LYS 84 HG3 LYS 84 10.258 26.756 21.025 679 HD2 LYS 84 HD2 LYS 84 11.299 24.480 21.205 680 HD3 LYS 84 HD3 LYS 84 11.955 24.923 22.778 681 HE2 LYS 84 HE2 LYS 84 8.982 24.863 22.044 682 HE3 LYS 84 HE3 LYS 84 9.858 23.546 22.847 683 HZ1 LYS 84 HZ1 LYS 84 8.606 25.100 24.379 684 HZ2 LYS 84 HZ2 LYS 84 10.185 24.896 24.761 685 HZ3 LYS 84 HZ3 LYS 84 9.682 26.267 24.037 686 H LYS 85 H LYS 85 13.484 28.051 18.028 687 HA LYS 85 HA LYS 85 16.306 28.608 18.653 688 HB2 LYS 85 HB2 LYS 85 14.914 27.962 16.019 689 HB3 LYS 85 HB3 LYS 85 16.662 28.102 16.259 690 HG2 LYS 85 HG2 LYS 85 16.578 26.222 17.909 691 HG3 LYS 85 HG3 LYS 85 14.846 26.056 17.607 692 HD2 LYS 85 HD2 LYS 85 15.984 24.371 16.350 693 HD3 LYS 85 HD3 LYS 85 15.312 25.550 15.214 694 HE2 LYS 85 HE2 LYS 85 17.552 26.613 14.995 695 HE3 LYS 85 HE3 LYS 85 18.214 25.486 16.185 696 HZ1 LYS 85 HZ1 LYS 85 17.109 24.713 13.538 697 HZ2 LYS 85 HZ2 LYS 85 18.686 24.757 13.936 698 HZ3 LYS 85 HZ3 LYS 85 17.698 23.672 14.644 699 H HIS 86 H HIS 86 15.060 30.800 19.407 700 HA HIS 86 HA HIS 86 14.770 33.044 19.203 701 HB2 HIS 86 HB2 HIS 86 17.220 32.786 19.212 702 HB3 HIS 86 HB3 HIS 86 17.239 32.828 17.452 703 HD2 HIS 86 HD2 HIS 86 14.875 35.405 19.002 704 HE1 HIS 86 HE1 HIS 86 18.472 37.507 18.106 705 HE2 HIS 86 HE2 HIS 86 16.020 37.763 18.739 706 H GLY 87 H GLY 87 12.868 31.995 17.777 707 HA2 GLY 87 HA2 GLY 87 12.671 32.929 15.027 708 HA3 GLY 87 HA3 GLY 87 11.386 32.228 15.998 709 H GLN 88 H GLN 88 13.374 35.186 16.381 710 HA GLN 88 HA GLN 88 11.258 36.800 17.414 711 HB2 GLN 88 HB2 GLN 88 13.627 37.211 17.789 712 HB3 GLN 88 HB3 GLN 88 13.874 37.617 16.082 713 HG2 GLN 88 HG2 GLN 88 12.509 39.606 16.289 714 HG3 GLN 88 HG3 GLN 88 11.951 39.135 17.897 715 HE21 GLN 88 HE21 GLN 88 14.566 41.705 18.449 716 HE22 GLN 88 HE22 GLN 88 12.966 41.661 17.715 717 H LEU 89 H LEU 89 12.474 36.451 14.087 718 HA LEU 89 HA LEU 89 10.267 38.025 12.968 719 HB2 LEU 89 HB2 LEU 89 12.543 37.974 11.955 720 HB3 LEU 89 HB3 LEU 89 12.327 36.255 11.571 721 HG LEU 89 HG LEU 89 10.685 38.582 10.504 722 HD11 LEU 89 HD11 LEU 89 12.804 36.885 9.137 723 HD12 LEU 89 HD12 LEU 89 11.876 38.212 8.399 724 HD13 LEU 89 HD13 LEU 89 13.020 38.557 9.702 725 HD21 LEU 89 HD21 LEU 89 9.227 36.672 10.295 726 HD22 LEU 89 HD22 LEU 89 9.959 36.939 8.718 727 HD23 LEU 89 HD23 LEU 89 10.572 35.633 9.743 728 H LYS 90 H LYS 90 8.569 37.061 13.937 729 HA LYS 90 HA LYS 90 7.967 34.297 13.948 730 HB2 LYS 90 HB2 LYS 90 6.990 36.225 15.370 731 HB3 LYS 90 HB3 LYS 90 5.965 36.608 13.995 732 HG2 LYS 90 HG2 LYS 90 4.666 35.349 15.520 733 HG3 LYS 90 HG3 LYS 90 4.956 34.328 14.139 734 HD2 LYS 90 HD2 LYS 90 5.124 32.940 15.996 735 HD3 LYS 90 HD3 LYS 90 6.787 33.148 15.463 736 HE2 LYS 90 HE2 LYS 90 5.734 34.979 17.617 737 HE3 LYS 90 HE3 LYS 90 6.012 33.294 18.040 738 HZ1 LYS 90 HZ1 LYS 90 8.199 34.921 16.804 739 HZ2 LYS 90 HZ2 LYS 90 7.943 34.860 18.412 740 HZ3 LYS 90 HZ3 LYS 90 8.324 33.500 17.584 741 H LEU 91 H LEU 91 7.527 36.488 11.253 742 HA LEU 91 HA LEU 91 5.420 35.415 9.972 743 HB2 LEU 91 HB2 LEU 91 6.609 37.486 9.363 744 HB3 LEU 91 HB3 LEU 91 7.830 36.486 8.568 745 HG LEU 91 HG LEU 91 6.228 35.652 6.961 746 HD11 LEU 91 HD11 LEU 91 4.247 37.525 8.332 747 HD12 LEU 91 HD12 LEU 91 4.002 36.767 6.743 748 HD13 LEU 91 HD13 LEU 91 4.113 35.757 8.180 749 HD21 LEU 91 HD21 LEU 91 7.522 37.694 6.494 750 HD22 LEU 91 HD22 LEU 91 5.928 37.764 5.726 751 HD23 LEU 91 HD23 LEU 91 6.238 38.686 7.214 752 H SER 92 H SER 92 8.550 33.916 10.161 753 HA SER 92 HA SER 92 8.202 31.945 8.079 754 HB2 SER 92 HB2 SER 92 10.389 32.630 9.053 755 HB3 SER 92 HB3 SER 92 9.899 31.955 10.608 756 HG SER 92 HG SER 92 10.389 30.576 8.171 757 H ILE 93 H ILE 93 7.293 31.929 11.545 758 HA ILE 93 HA ILE 93 6.025 29.261 11.168 759 HB ILE 93 HB ILE 93 7.693 29.877 13.086 760 HG12 ILE 93 HG12 ILE 93 5.158 28.217 13.368 761 HG13 ILE 93 HG13 ILE 93 6.702 27.716 12.667 762 HG21 ILE 93 HG21 ILE 93 6.231 31.799 13.846 763 HG22 ILE 93 HG22 ILE 93 5.064 30.594 14.437 764 HG23 ILE 93 HG23 ILE 93 6.705 30.640 15.114 765 HD11 ILE 93 HD11 ILE 93 6.063 28.297 15.551 766 HD12 ILE 93 HD12 ILE 93 6.664 26.797 14.819 767 HD13 ILE 93 HD13 ILE 93 7.733 28.228 14.944 768 H GLN 94 H GLN 94 5.128 32.553 11.007 769 HA GLN 94 HA GLN 94 2.486 32.411 11.994 770 HB2 GLN 94 HB2 GLN 94 3.793 33.994 9.790 771 HB3 GLN 94 HB3 GLN 94 2.041 34.044 9.993 772 HG2 GLN 94 HG2 GLN 94 2.458 34.602 12.475 773 HG3 GLN 94 HG3 GLN 94 4.121 34.935 12.018 774 HE21 GLN 94 HE21 GLN 94 2.462 38.203 11.891 775 HE22 GLN 94 HE22 GLN 94 3.111 37.092 13.083 776 H TYR 95 H TYR 95 3.851 31.001 9.093 777 HA TYR 95 HA TYR 95 1.565 30.099 7.726 778 HB2 TYR 95 HB2 TYR 95 3.909 29.721 7.040 779 HB3 TYR 95 HB3 TYR 95 4.144 28.606 8.372 780 HD1 TYR 95 HD1 TYR 95 2.322 29.133 5.152 781 HD2 TYR 95 HD2 TYR 95 3.464 26.298 8.200 782 HE1 TYR 95 HE1 TYR 95 1.555 27.250 3.701 783 HE2 TYR 95 HE2 TYR 95 2.705 24.427 6.747 784 HH TYR 95 HH TYR 95 1.806 23.839 4.747 785 H MET 96 H MET 96 2.849 28.869 10.831 786 HA MET 96 HA MET 96 0.766 26.823 11.171 787 HB2 MET 96 HB2 MET 96 2.847 27.962 13.085 788 HB3 MET 96 HB3 MET 96 1.759 26.637 13.447 789 HG2 MET 96 HG2 MET 96 3.800 25.627 12.875 790 HG3 MET 96 HG3 MET 96 2.689 25.327 11.543 791 HE1 MET 96 HE1 MET 96 6.055 25.318 9.615 792 HE2 MET 96 HE2 MET 96 5.831 24.700 11.261 793 HE3 MET 96 HE3 MET 96 4.571 24.433 10.033 794 H ILE 97 H ILE 97 1.246 30.228 12.125 795 HA ILE 97 HA ILE 97 -0.845 30.199 14.061 796 HB ILE 97 HB ILE 97 0.835 32.216 13.337 797 HG12 ILE 97 HG12 ILE 97 -1.791 32.674 14.800 798 HG13 ILE 97 HG13 ILE 97 -0.498 31.708 15.486 799 HG21 ILE 97 HG21 ILE 97 -0.657 32.864 11.365 800 HG22 ILE 97 HG22 ILE 97 -1.953 33.176 12.536 801 HG23 ILE 97 HG23 ILE 97 -0.462 34.145 12.555 802 HD11 ILE 97 HD11 ILE 97 -0.298 34.657 14.793 803 HD12 ILE 97 HD12 ILE 97 -0.400 33.920 16.401 804 HD13 ILE 97 HD13 ILE 97 1.040 33.646 15.394 805 H GLN 98 H GLN 98 -1.101 30.178 10.583 806 HA GLN 98 HA GLN 98 -3.825 30.811 10.313 807 HB2 GLN 98 HB2 GLN 98 -2.182 30.303 8.481 808 HB3 GLN 98 HB3 GLN 98 -2.273 28.601 8.911 809 HG2 GLN 98 HG2 GLN 98 -3.657 29.056 6.966 810 HG3 GLN 98 HG3 GLN 98 -4.666 28.526 8.303 811 HE21 GLN 98 HE21 GLN 98 -4.936 32.574 7.487 812 HE22 GLN 98 HE22 GLN 98 -3.337 31.862 7.614 813 H LYS 99 H LYS 99 -2.376 27.945 11.789 814 HA LYS 99 HA LYS 99 -4.903 26.467 12.040 815 HB2 LYS 99 HB2 LYS 99 -2.173 25.961 13.341 816 HB3 LYS 99 HB3 LYS 99 -3.489 24.836 13.253 817 HG2 LYS 99 HG2 LYS 99 -1.924 25.902 10.853 818 HG3 LYS 99 HG3 LYS 99 -1.789 24.311 11.581 819 HD2 LYS 99 HD2 LYS 99 -4.027 23.698 10.894 820 HD3 LYS 99 HD3 LYS 99 -4.398 25.336 10.343 821 HE2 LYS 99 HE2 LYS 99 -2.935 25.228 8.493 822 HE3 LYS 99 HE3 LYS 99 -2.115 23.790 9.094 823 HZ1 LYS 99 HZ1 LYS 99 -4.126 22.510 8.708 824 HZ2 LYS 99 HZ2 LYS 99 -4.955 23.835 8.217 825 HZ3 LYS 99 HZ3 LYS 99 -3.720 23.275 7.323 826 H VAL 100 H VAL 100 -2.813 28.413 14.270 827 HA VAL 100 HA VAL 100 -4.663 28.294 16.437 828 HB VAL 100 HB VAL 100 -2.464 30.052 15.476 829 HG11 VAL 100 HG11 VAL 100 -2.810 31.941 16.976 830 HG12 VAL 100 HG12 VAL 100 -4.002 31.889 15.679 831 HG13 VAL 100 HG13 VAL 100 -4.454 31.380 17.328 832 HG21 VAL 100 HG21 VAL 100 -3.287 29.173 18.258 833 HG22 VAL 100 HG22 VAL 100 -2.202 28.295 17.167 834 HG23 VAL 100 HG23 VAL 100 -1.727 29.878 17.784 835 H MET 101 H MET 101 -4.621 30.492 13.641 836 HA MET 101 HA MET 101 -6.971 31.856 14.336 837 HB2 MET 101 HB2 MET 101 -5.353 31.525 11.824 838 HB3 MET 101 HB3 MET 101 -6.828 32.521 11.841 839 HG2 MET 101 HG2 MET 101 -5.847 33.865 13.686 840 HG3 MET 101 HG3 MET 101 -4.392 32.875 13.616 841 HE1 MET 101 HE1 MET 101 -6.591 34.456 10.606 842 HE2 MET 101 HE2 MET 101 -6.530 35.677 11.904 843 HE3 MET 101 HE3 MET 101 -5.667 35.953 10.377 844 H GLU 102 H GLU 102 -6.815 28.640 13.385 845 HA GLU 102 HA GLU 102 -9.458 28.602 12.118 846 HB2 GLU 102 HB2 GLU 102 -7.451 26.433 12.666 847 HB3 GLU 102 HB3 GLU 102 -9.110 26.031 12.268 848 HG2 GLU 102 HG2 GLU 102 -7.556 27.915 10.479 849 HG3 GLU 102 HG3 GLU 102 -7.319 26.167 10.391 850 H TYR 103 H TYR 103 -8.564 26.351 14.724 851 HA TYR 103 HA TYR 103 -11.374 26.637 15.607 852 HB2 TYR 103 HB2 TYR 103 -9.357 24.536 16.413 853 HB3 TYR 103 HB3 TYR 103 -11.070 24.525 16.769 854 HD1 TYR 103 HD1 TYR 103 -9.482 22.288 15.499 855 HD2 TYR 103 HD2 TYR 103 -11.866 25.468 13.788 856 HE1 TYR 103 HE1 TYR 103 -9.977 20.873 13.511 857 HE2 TYR 103 HE2 TYR 103 -12.337 24.055 11.818 858 HH TYR 103 HH TYR 103 -12.028 22.039 10.826 859 H LEU 104 H LEU 104 -8.149 26.994 16.805 860 HA LEU 104 HA LEU 104 -8.694 27.429 19.579 861 HB2 LEU 104 HB2 LEU 104 -6.623 26.610 18.654 862 HB3 LEU 104 HB3 LEU 104 -6.442 27.989 17.625 863 HG LEU 104 HG LEU 104 -4.855 27.906 19.404 864 HD11 LEU 104 HD11 LEU 104 -5.940 30.181 18.523 865 HD12 LEU 104 HD12 LEU 104 -6.505 30.308 20.204 866 HD13 LEU 104 HD13 LEU 104 -4.776 30.181 19.868 867 HD21 LEU 104 HD21 LEU 104 -6.315 26.805 21.068 868 HD22 LEU 104 HD22 LEU 104 -5.456 28.183 21.747 869 HD23 LEU 104 HD23 LEU 104 -7.184 28.338 21.337 870 H LYS 105 H LYS 105 -8.768 29.509 16.731 871 HA LYS 105 HA LYS 105 -9.103 31.996 18.080 872 HB2 LYS 105 HB2 LYS 105 -8.595 31.280 15.532 873 HB3 LYS 105 HB3 LYS 105 -10.309 31.616 15.362 874 HG2 LYS 105 HG2 LYS 105 -9.842 33.843 16.576 875 HG3 LYS 105 HG3 LYS 105 -8.114 33.448 16.422 876 HD2 LYS 105 HD2 LYS 105 -8.344 33.366 13.970 877 HD3 LYS 105 HD3 LYS 105 -10.066 33.727 14.088 878 HE2 LYS 105 HE2 LYS 105 -7.851 35.545 15.167 879 HE3 LYS 105 HE3 LYS 105 -8.498 35.680 13.526 880 HZ1 LYS 105 HZ1 LYS 105 -9.603 37.219 15.004 881 HZ2 LYS 105 HZ2 LYS 105 -10.684 36.136 14.473 882 HZ3 LYS 105 HZ3 LYS 105 -10.109 36.033 15.995 883 H SER 106 H SER 106 -11.481 29.795 16.656 884 HA SER 106 HA SER 106 -13.523 30.592 18.565 885 HB2 SER 106 HB2 SER 106 -13.776 32.342 16.842 886 HB3 SER 106 HB3 SER 106 -13.950 31.089 15.598 887 HG SER 106 HG SER 106 -15.967 31.888 16.367 888 H SER 107 H SER 107 -14.731 28.888 19.076 889 HA SER 107 HA SER 107 -15.596 26.834 17.263 890 HB2 SER 107 HB2 SER 107 -13.343 25.982 17.594 891 HB3 SER 107 HB3 SER 107 -13.450 26.231 19.347 892 HG SER 107 HG SER 107 -13.865 24.023 18.323 893 H LYS 108 H LYS 108 -17.126 25.402 18.310 894 HA LYS 108 HA LYS 108 -18.601 26.428 20.582 895 HB2 LYS 108 HB2 LYS 108 -19.868 24.384 20.477 896 HB3 LYS 108 HB3 LYS 108 -19.643 25.042 18.856 897 HG2 LYS 108 HG2 LYS 108 -17.790 23.392 18.464 898 HG3 LYS 108 HG3 LYS 108 -18.098 22.690 20.057 899 HD2 LYS 108 HD2 LYS 108 -20.127 22.849 17.792 900 HD3 LYS 108 HD3 LYS 108 -19.130 21.434 18.162 901 HE2 LYS 108 HE2 LYS 108 -20.150 21.319 20.438 902 HE3 LYS 108 HE3 LYS 108 -21.182 22.702 20.038 903 HZ1 LYS 108 HZ1 LYS 108 -22.341 20.613 19.694 904 HZ2 LYS 108 HZ2 LYS 108 -22.159 21.354 18.257 905 HZ3 LYS 108 HZ3 LYS 108 -21.216 20.083 18.648 906 H SER 109 H SER 109 -15.725 24.532 20.387 907 HA SER 109 HA SER 109 -15.844 23.796 23.214 908 HB2 SER 109 HB2 SER 109 -13.785 23.024 21.119 909 HB3 SER 109 HB3 SER 109 -13.909 22.367 22.762 910 HG SER 109 HG SER 109 -14.901 21.005 21.232 911 H LEU 110 H LEU 110 -15.410 26.576 22.284 912 HA LEU 110 HA LEU 110 -13.235 27.116 24.154 913 HB2 LEU 110 HB2 LEU 110 -13.001 27.867 21.368 914 HB3 LEU 110 HB3 LEU 110 -13.302 29.337 22.275 915 HG LEU 110 HG LEU 110 -11.461 28.308 23.931 916 HD11 LEU 110 HD11 LEU 110 -11.114 26.257 22.550 917 HD12 LEU 110 HD12 LEU 110 -10.649 27.281 21.171 918 HD13 LEU 110 HD13 LEU 110 -9.650 27.259 22.641 919 HD21 LEU 110 HD21 LEU 110 -11.362 30.471 23.000 920 HD22 LEU 110 HD22 LEU 110 -9.796 29.680 22.726 921 HD23 LEU 110 HD23 LEU 110 -10.951 29.830 21.385 922 H ASP 111 H ASP 111 -13.295 29.329 24.995 923 HA ASP 111 HA ASP 111 -15.832 30.735 25.120 924 HB2 ASP 111 HB2 ASP 111 -14.466 29.581 27.597 925 HB3 ASP 111 HB3 ASP 111 -15.750 30.783 27.623 926 H LEU 112 H LEU 112 -15.505 32.890 26.099 927 HA LEU 112 HA LEU 112 -13.207 34.240 25.219 928 HB2 LEU 112 HB2 LEU 112 -15.117 34.893 27.500 929 HB3 LEU 112 HB3 LEU 112 -13.909 36.023 26.914 930 HG LEU 112 HG LEU 112 -15.990 34.825 25.038 931 HD11 LEU 112 HD11 LEU 112 -16.176 37.388 26.670 932 HD12 LEU 112 HD12 LEU 112 -17.316 36.872 25.402 933 HD13 LEU 112 HD13 LEU 112 -17.161 35.926 26.894 934 HD21 LEU 112 HD21 LEU 112 -14.047 35.901 23.968 935 HD22 LEU 112 HD22 LEU 112 -15.515 36.857 23.720 936 HD23 LEU 112 HD23 LEU 112 -14.316 37.370 24.931 937 H ASN 113 H ASN 113 -13.830 33.007 28.490 938 HA ASN 113 HA ASN 113 -11.458 34.112 29.573 939 HB2 ASN 113 HB2 ASN 113 -13.014 31.644 30.489 940 HB3 ASN 113 HB3 ASN 113 -11.789 32.466 31.454 941 HD21 ASN 113 HD21 ASN 113 -15.396 33.713 32.086 942 HD22 ASN 113 HD22 ASN 113 -14.866 32.081 31.709 943 H THR 114 H THR 114 -11.945 31.022 27.858 944 HA THR 114 HA THR 114 -9.253 30.009 28.282 945 HB THR 114 HB THR 114 -11.522 29.382 26.357 946 HG1 THR 114 HG1 THR 114 -10.300 27.696 28.238 947 HG21 THR 114 HG21 THR 114 -9.564 28.950 25.116 948 HG22 THR 114 HG22 THR 114 -8.748 28.195 26.498 949 HG23 THR 114 HG23 THR 114 -10.149 27.389 25.727 950 H ARG 115 H ARG 115 -10.954 31.571 25.526 951 HA ARG 115 HA ARG 115 -8.921 32.003 23.701 952 HB2 ARG 115 HB2 ARG 115 -11.439 32.801 23.675 953 HB3 ARG 115 HB3 ARG 115 -10.876 34.220 24.520 954 HG2 ARG 115 HG2 ARG 115 -10.811 34.916 22.319 955 HG3 ARG 115 HG3 ARG 115 -9.114 34.501 22.605 956 HD2 ARG 115 HD2 ARG 115 -10.741 32.183 21.776 957 HD3 ARG 115 HD3 ARG 115 -10.872 33.495 20.620 958 HE ARG 115 HE ARG 115 -8.658 31.728 20.917 959 HH11 ARG 115 HH11 ARG 115 -9.424 35.042 20.037 960 HH12 ARG 115 HH12 ARG 115 -7.961 35.239 19.117 961 HH21 ARG 115 HH21 ARG 115 -6.719 32.140 19.841 962 HH22 ARG 115 HH22 ARG 115 -6.512 33.640 18.982 963 H ILE 116 H ILE 116 -9.755 34.178 26.268 964 HA ILE 116 HA ILE 116 -7.702 36.066 26.015 965 HB ILE 116 HB ILE 116 -9.530 35.172 28.215 966 HG12 ILE 116 HG12 ILE 116 -9.071 37.890 26.884 967 HG13 ILE 116 HG13 ILE 116 -10.125 36.662 26.212 968 HG21 ILE 116 HG21 ILE 116 -7.627 35.607 29.536 969 HG22 ILE 116 HG22 ILE 116 -7.335 37.183 28.735 970 HG23 ILE 116 HG23 ILE 116 -8.766 36.927 29.766 971 HD11 ILE 116 HD11 ILE 116 -11.503 38.232 27.412 972 HD12 ILE 116 HD12 ILE 116 -11.510 36.699 28.304 973 HD13 ILE 116 HD13 ILE 116 -10.532 38.071 28.884 974 H SER 117 H SER 117 -7.642 33.057 27.814 975 HA SER 117 HA SER 117 -5.099 33.440 29.122 976 HB2 SER 117 HB2 SER 117 -6.656 30.872 28.633 977 HB3 SER 117 HB3 SER 117 -5.305 31.087 29.748 978 HG SER 117 HG SER 117 -7.913 32.213 29.882 979 H VAL 118 H VAL 118 -5.732 33.144 25.963 980 HA VAL 118 HA VAL 118 -3.226 31.701 25.188 981 HB VAL 118 HB VAL 118 -5.965 31.786 23.856 982 HG11 VAL 118 HG11 VAL 118 -3.468 30.406 22.883 983 HG12 VAL 118 HG12 VAL 118 -5.115 30.313 22.196 984 HG13 VAL 118 HG13 VAL 118 -4.254 31.846 22.165 985 HG21 VAL 118 HG21 VAL 118 -6.092 29.405 24.261 986 HG22 VAL 118 HG22 VAL 118 -4.520 29.436 25.103 987 HG23 VAL 118 HG23 VAL 118 -5.927 30.288 25.783 988 H ILE 119 H ILE 119 -5.641 34.054 23.870 989 HA ILE 119 HA ILE 119 -4.061 35.132 22.008 990 HB ILE 119 HB ILE 119 -6.566 35.300 22.576 991 HG12 ILE 119 HG12 ILE 119 -6.949 37.287 21.353 992 HG13 ILE 119 HG13 ILE 119 -5.323 37.914 21.700 993 HG21 ILE 119 HG21 ILE 119 -7.518 36.844 23.882 994 HG22 ILE 119 HG22 ILE 119 -6.080 36.421 24.842 995 HG23 ILE 119 HG23 ILE 119 -6.080 37.921 23.922 996 HD11 ILE 119 HD11 ILE 119 -5.708 35.315 20.217 997 HD12 ILE 119 HD12 ILE 119 -5.755 36.884 19.355 998 HD13 ILE 119 HD13 ILE 119 -4.293 36.376 20.219 999 H GLU 120 H GLU 120 -3.974 36.169 25.443 1000 HA GLU 120 HA GLU 120 -2.185 38.360 24.788 1001 HB2 GLU 120 HB2 GLU 120 -3.051 37.162 27.421 1002 HB3 GLU 120 HB3 GLU 120 -1.834 38.453 27.283 1003 HG2 GLU 120 HG2 GLU 120 -3.448 39.803 25.932 1004 HG3 GLU 120 HG3 GLU 120 -4.693 38.583 26.225 1005 H THR 121 H THR 121 -1.659 35.080 26.107 1006 HA THR 121 HA THR 121 1.231 35.392 26.290 1007 HB THR 121 HB THR 121 0.067 33.848 27.706 1008 HG1 THR 121 HG1 THR 121 1.346 32.004 26.128 1009 HG21 THR 121 HG21 THR 121 -1.779 33.076 26.414 1010 HG22 THR 121 HG22 THR 121 -0.719 32.327 25.204 1011 HG23 THR 121 HG23 THR 121 -0.812 31.669 26.853 1012 H ILE 122 H ILE 122 -0.923 34.546 23.637 1013 HA ILE 122 HA ILE 122 1.403 34.020 21.922 1014 HB ILE 122 HB ILE 122 -1.224 33.274 21.714 1015 HG12 ILE 122 HG12 ILE 122 0.790 33.331 19.430 1016 HG13 ILE 122 HG13 ILE 122 0.900 32.250 20.815 1017 HG21 ILE 122 HG21 ILE 122 -1.888 35.522 20.814 1018 HG22 ILE 122 HG22 ILE 122 -0.801 35.248 19.434 1019 HG23 ILE 122 HG23 ILE 122 -2.201 34.188 19.709 1020 HD11 ILE 122 HD11 ILE 122 -1.394 31.359 20.272 1021 HD12 ILE 122 HD12 ILE 122 -1.302 32.273 18.745 1022 HD13 ILE 122 HD13 ILE 122 -0.121 31.001 19.094 1023 H ARG 123 H ARG 123 -0.675 36.898 22.548 1024 HA ARG 123 HA ARG 123 0.521 38.559 20.548 1025 HB2 ARG 123 HB2 ARG 123 -0.926 39.109 23.154 1026 HB3 ARG 123 HB3 ARG 123 -0.129 40.424 22.302 1027 HG2 ARG 123 HG2 ARG 123 -1.423 40.132 20.323 1028 HG3 ARG 123 HG3 ARG 123 -2.062 38.576 20.855 1029 HD2 ARG 123 HD2 ARG 123 -3.282 39.658 22.691 1030 HD3 ARG 123 HD3 ARG 123 -2.609 41.237 22.229 1031 HE ARG 123 HE ARG 123 -3.880 40.210 19.938 1032 HH11 ARG 123 HH11 ARG 123 -4.925 41.296 23.115 1033 HH12 ARG 123 HH12 ARG 123 -6.507 41.729 22.518 1034 HH21 ARG 123 HH21 ARG 123 -5.903 40.809 19.282 1035 HH22 ARG 123 HH22 ARG 123 -7.030 41.468 20.438 1036 H VAL 124 H VAL 124 1.568 38.140 23.977 1037 HA VAL 124 HA VAL 124 3.771 39.872 23.899 1038 HB VAL 124 HB VAL 124 4.628 38.490 25.786 1039 HG11 VAL 124 HG11 VAL 124 3.001 40.247 26.198 1040 HG12 VAL 124 HG12 VAL 124 1.675 39.097 25.961 1041 HG13 VAL 124 HG13 VAL 124 2.796 38.891 27.317 1042 HG21 VAL 124 HG21 VAL 124 4.170 36.270 25.144 1043 HG22 VAL 124 HG22 VAL 124 3.303 36.620 26.648 1044 HG23 VAL 124 HG23 VAL 124 2.436 36.608 25.098 1045 H VAL 125 H VAL 125 3.583 36.699 22.391 1046 HA VAL 125 HA VAL 125 6.478 36.783 21.846 1047 HB VAL 125 HB VAL 125 5.478 34.812 23.021 1048 HG11 VAL 125 HG11 VAL 125 4.555 34.035 20.221 1049 HG12 VAL 125 HG12 VAL 125 4.487 33.046 21.695 1050 HG13 VAL 125 HG13 VAL 125 3.497 34.503 21.571 1051 HG21 VAL 125 HG21 VAL 125 6.943 33.226 21.938 1052 HG22 VAL 125 HG22 VAL 125 7.039 34.225 20.477 1053 HG23 VAL 125 HG23 VAL 125 7.725 34.810 22.011 1054 H THR 126 H THR 126 3.478 37.294 20.191 1055 HA THR 126 HA THR 126 4.833 37.004 17.520 1056 HB THR 126 HB THR 126 2.577 36.799 16.558 1057 HG1 THR 126 HG1 THR 126 1.579 36.804 19.182 1058 HG21 THR 126 HG21 THR 126 2.863 34.881 18.908 1059 HG22 THR 126 HG22 THR 126 1.678 34.736 17.608 1060 HG23 THR 126 HG23 THR 126 3.403 34.621 17.244 1061 H GLU 127 H GLU 127 3.461 39.481 19.538 1062 HA GLU 127 HA GLU 127 3.002 41.363 17.343 1063 HB2 GLU 127 HB2 GLU 127 3.359 41.732 20.343 1064 HB3 GLU 127 HB3 GLU 127 3.008 43.056 19.246 1065 HG2 GLU 127 HG2 GLU 127 1.212 40.612 19.600 1066 HG3 GLU 127 HG3 GLU 127 0.997 42.146 20.432 1067 H ASN 128 H ASN 128 5.798 40.017 18.451 1068 HA ASN 128 HA ASN 128 7.531 42.219 18.724 1069 HB2 ASN 128 HB2 ASN 128 8.015 39.261 18.273 1070 HB3 ASN 128 HB3 ASN 128 9.309 40.404 18.669 1071 HD21 ASN 128 HD21 ASN 128 7.298 38.872 21.700 1072 HD22 ASN 128 HD22 ASN 128 7.570 38.104 20.132 1073 H LYS 129 H LYS 129 6.448 40.796 15.771 1074 HA LYS 129 HA LYS 129 8.188 42.539 14.168 1075 HB2 LYS 129 HB2 LYS 129 9.456 40.328 14.719 1076 HB3 LYS 129 HB3 LYS 129 8.319 39.547 13.642 1077 HG2 LYS 129 HG2 LYS 129 10.168 39.996 12.283 1078 HG3 LYS 129 HG3 LYS 129 9.080 41.312 11.856 1079 HD2 LYS 129 HD2 LYS 129 10.360 42.886 13.165 1080 HD3 LYS 129 HD3 LYS 129 11.245 41.588 13.995 1081 HE2 LYS 129 HE2 LYS 129 12.296 40.888 11.866 1082 HE3 LYS 129 HE3 LYS 129 11.419 42.164 11.000 1083 HZ1 LYS 129 HZ1 LYS 129 13.427 42.649 13.134 1084 HZ2 LYS 129 HZ2 LYS 129 13.667 42.864 11.540 1085 HZ3 LYS 129 HZ3 LYS 129 12.608 43.811 12.331 1086 H ILE 130 H ILE 130 5.659 43.037 14.273 1087 HA ILE 130 HA ILE 130 3.851 41.544 12.715 1088 HB ILE 130 HB ILE 130 2.504 43.614 12.553 1089 HG12 ILE 130 HG12 ILE 130 4.782 44.929 14.109 1090 HG13 ILE 130 HG13 ILE 130 4.295 45.308 12.460 1091 HG21 ILE 130 HG21 ILE 130 3.482 43.056 15.374 1092 HG22 ILE 130 HG22 ILE 130 1.875 43.618 14.853 1093 HG23 ILE 130 HG23 ILE 130 2.398 41.986 14.445 1094 HD11 ILE 130 HD11 ILE 130 2.030 46.005 13.360 1095 HD12 ILE 130 HD12 ILE 130 2.697 45.805 14.998 1096 HD13 ILE 130 HD13 ILE 130 3.399 46.999 13.900 1097 H PHE 131 H PHE 131 3.150 41.537 10.726 1098 HA PHE 131 HA PHE 131 4.832 42.513 8.561 1099 HB2 PHE 131 HB2 PHE 131 3.905 40.258 8.505 1100 HB3 PHE 131 HB3 PHE 131 2.264 40.887 8.615 1101 HD1 PHE 131 HD1 PHE 131 5.310 40.806 6.433 1102 HD2 PHE 131 HD2 PHE 131 1.054 41.493 6.637 1103 HE1 PHE 131 HE1 PHE 131 5.197 40.866 3.951 1104 HE2 PHE 131 HE2 PHE 131 0.948 41.547 4.158 1105 HZ PHE 131 HZ PHE 131 3.019 41.234 2.810 1106 H VAL 132 H VAL 132 1.618 43.270 9.841 1107 HA VAL 132 HA VAL 132 0.974 45.241 7.829 1108 HB VAL 132 HB VAL 132 -0.366 44.850 10.510 1109 HG11 VAL 132 HG11 VAL 132 -1.124 46.884 9.412 1110 HG12 VAL 132 HG12 VAL 132 -1.398 45.998 7.885 1111 HG13 VAL 132 HG13 VAL 132 -2.396 45.677 9.313 1112 HG21 VAL 132 HG21 VAL 132 -0.411 42.654 9.370 1113 HG22 VAL 132 HG22 VAL 132 -2.011 43.380 9.324 1114 HG23 VAL 132 HG23 VAL 132 -0.983 43.429 7.875 1115 H GLU 133 H GLU 133 0.795 47.430 8.206 1116 HA GLU 133 HA GLU 133 2.033 48.722 10.484 1117 HB2 GLU 133 HB2 GLU 133 3.037 49.135 7.634 1118 HB3 GLU 133 HB3 GLU 133 3.490 50.138 9.021 1119 HG2 GLU 133 HG2 GLU 133 4.411 48.076 10.142 1120 HG3 GLU 133 HG3 GLU 133 4.103 47.182 8.645 1121 H VAL 134 H VAL 134 1.616 51.068 10.582 1122 HA VAL 134 HA VAL 134 -0.720 52.001 9.044 1123 HB VAL 134 HB VAL 134 -1.242 53.392 10.961 1124 HG11 VAL 134 HG11 VAL 134 -2.353 51.227 10.599 1125 HG12 VAL 134 HG12 VAL 134 -1.153 50.434 11.643 1126 HG13 VAL 134 HG13 VAL 134 -2.249 51.669 12.307 1127 HG21 VAL 134 HG21 VAL 134 0.795 51.750 12.530 1128 HG22 VAL 134 HG22 VAL 134 0.995 53.465 12.120 1129 HG23 VAL 134 HG23 VAL 134 -0.330 52.959 13.170 1130 H GLU 135 H GLU 135 0.181 54.398 10.511 1131 HA GLU 135 HA GLU 135 0.977 55.885 8.216 1132 HB2 GLU 135 HB2 GLU 135 0.869 56.891 11.082 1133 HB3 GLU 135 HB3 GLU 135 0.746 57.853 9.597 1134 HG2 GLU 135 HG2 GLU 135 -1.351 56.515 9.032 1135 HG3 GLU 135 HG3 GLU 135 -1.279 55.846 10.672 1136 H ARG 136 H ARG 136 3.077 54.085 8.795 1137 HA ARG 136 HA ARG 136 5.423 55.547 9.854 1138 HB2 ARG 136 HB2 ARG 136 5.073 52.799 8.571 1139 HB3 ARG 136 HB3 ARG 136 6.631 53.463 9.080 1140 HG2 ARG 136 HG2 ARG 136 5.824 53.666 11.408 1141 HG3 ARG 136 HG3 ARG 136 4.250 52.992 10.934 1142 HD2 ARG 136 HD2 ARG 136 5.323 50.897 10.251 1143 HD3 ARG 136 HD3 ARG 136 6.926 51.565 10.625 1144 HE ARG 136 HE ARG 136 5.323 51.758 12.958 1145 HH11 ARG 136 HH11 ARG 136 6.763 49.144 11.064 1146 HH12 ARG 136 HH12 ARG 136 7.056 48.202 12.512 1147 HH21 ARG 136 HH21 ARG 136 5.670 50.449 14.683 1148 HH22 ARG 136 HH22 ARG 136 6.432 48.894 14.461 Start of MODEL 20 1 H1 MET 1 H1 MET 1 9.239 27.098 -21.812 2 H2 MET 1 H2 MET 1 9.053 27.648 -20.279 3 H3 MET 1 H3 MET 1 10.031 26.365 -20.583 4 HA MET 1 HA MET 1 8.040 25.542 -19.629 5 HB2 MET 1 HB2 MET 1 6.671 27.067 -21.894 6 HB3 MET 1 HB3 MET 1 5.886 25.827 -20.915 7 HG2 MET 1 HG2 MET 1 5.252 27.911 -20.012 8 HG3 MET 1 HG3 MET 1 6.343 27.154 -18.860 9 HE1 MET 1 HE1 MET 1 6.487 29.474 -17.560 10 HE2 MET 1 HE2 MET 1 6.911 31.017 -18.339 11 HE3 MET 1 HE3 MET 1 5.389 30.201 -18.752 12 H SER 2 H SER 2 7.026 23.538 -20.342 13 HA SER 2 HA SER 2 7.558 22.517 -23.029 14 HB2 SER 2 HB2 SER 2 9.742 22.131 -21.999 15 HB3 SER 2 HB3 SER 2 8.982 21.343 -20.609 16 HG SER 2 HG SER 2 9.853 19.979 -22.382 17 H ARG 3 H ARG 3 6.482 20.536 -23.441 18 HA ARG 3 HA ARG 3 4.082 19.949 -21.886 19 HB2 ARG 3 HB2 ARG 3 3.657 18.231 -23.533 20 HB3 ARG 3 HB3 ARG 3 4.138 19.720 -24.339 21 HG2 ARG 3 HG2 ARG 3 6.436 18.794 -24.663 22 HG3 ARG 3 HG3 ARG 3 5.936 17.289 -23.870 23 HD2 ARG 3 HD2 ARG 3 4.212 16.940 -25.608 24 HD3 ARG 3 HD3 ARG 3 4.702 18.448 -26.403 25 HE ARG 3 HE ARG 3 7.005 16.779 -26.135 26 HH11 ARG 3 HH11 ARG 3 4.037 16.825 -28.023 27 HH12 ARG 3 HH12 ARG 3 4.777 15.932 -29.329 28 HH21 ARG 3 HH21 ARG 3 7.848 15.645 -27.833 29 HH22 ARG 3 HH22 ARG 3 6.849 15.280 -29.216 30 H ASP 4 H ASP 4 7.323 18.887 -21.588 31 HA ASP 4 HA ASP 4 6.770 16.355 -20.236 32 HB2 ASP 4 HB2 ASP 4 8.812 16.822 -21.586 33 HB3 ASP 4 HB3 ASP 4 9.321 18.007 -20.383 34 H ALA 5 H ALA 5 5.090 17.692 -18.919 35 HA ALA 5 HA ALA 5 5.955 19.039 -16.526 36 HB1 ALA 5 HB1 ALA 5 3.393 17.529 -17.164 37 HB2 ALA 5 HB2 ALA 5 3.654 18.598 -15.769 38 HB3 ALA 5 HB3 ALA 5 3.695 19.264 -17.413 39 HA PRO 6 HA PRO 6 7.584 15.176 -14.843 40 HB2 PRO 6 HB2 PRO 6 8.130 16.743 -12.342 41 HB3 PRO 6 HB3 PRO 6 9.264 15.787 -13.346 42 HG2 PRO 6 HG2 PRO 6 9.288 18.509 -13.406 43 HG3 PRO 6 HG3 PRO 6 9.479 17.563 -14.925 44 HD2 PRO 6 HD2 PRO 6 6.935 18.779 -13.787 45 HD3 PRO 6 HD3 PRO 6 7.644 18.963 -15.429 46 H ILE 7 H ILE 7 7.347 13.813 -12.768 47 HA ILE 7 HA ILE 7 4.600 13.796 -11.823 48 HB ILE 7 HB ILE 7 7.010 12.090 -11.111 49 HG12 ILE 7 HG12 ILE 7 4.666 10.830 -12.469 50 HG13 ILE 7 HG13 ILE 7 5.474 12.028 -13.460 51 HG21 ILE 7 HG21 ILE 7 5.358 10.527 -10.061 52 HG22 ILE 7 HG22 ILE 7 5.491 12.055 -9.191 53 HG23 ILE 7 HG23 ILE 7 4.094 11.758 -10.258 54 HD11 ILE 7 HD11 ILE 7 7.646 10.923 -13.134 55 HD12 ILE 7 HD12 ILE 7 6.874 9.690 -12.110 56 HD13 ILE 7 HD13 ILE 7 6.446 9.808 -13.829 57 H LYS 8 H LYS 8 4.033 15.330 -10.454 58 HA LYS 8 HA LYS 8 5.967 16.722 -8.791 59 HB2 LYS 8 HB2 LYS 8 3.026 17.121 -9.412 60 HB3 LYS 8 HB3 LYS 8 3.870 18.166 -8.281 61 HG2 LYS 8 HG2 LYS 8 5.181 17.791 -10.965 62 HG3 LYS 8 HG3 LYS 8 3.673 18.696 -10.917 63 HD2 LYS 8 HD2 LYS 8 5.514 20.236 -10.762 64 HD3 LYS 8 HD3 LYS 8 4.605 20.256 -9.246 65 HE2 LYS 8 HE2 LYS 8 6.316 18.880 -8.151 66 HE3 LYS 8 HE3 LYS 8 7.201 18.717 -9.682 67 HZ1 LYS 8 HZ1 LYS 8 7.564 21.126 -9.639 68 HZ2 LYS 8 HZ2 LYS 8 6.753 21.276 -8.234 69 HZ3 LYS 8 HZ3 LYS 8 8.155 20.455 -8.282 70 H ALA 9 H ALA 9 6.164 14.388 -7.694 71 HA ALA 9 HA ALA 9 4.588 14.292 -5.199 72 HB1 ALA 9 HB1 ALA 9 7.081 12.775 -6.015 73 HB2 ALA 9 HB2 ALA 9 6.143 12.583 -4.507 74 HB3 ALA 9 HB3 ALA 9 5.393 12.193 -6.080 75 H ASP 10 H ASP 10 4.901 16.467 -4.744 76 HA ASP 10 HA ASP 10 7.370 17.779 -4.232 77 HB2 ASP 10 HB2 ASP 10 5.100 18.765 -4.727 78 HB3 ASP 10 HB3 ASP 10 4.608 18.286 -3.087 79 H LYS 11 H LYS 11 5.558 15.588 -2.254 80 HA LYS 11 HA LYS 11 6.321 16.568 0.317 81 HB2 LYS 11 HB2 LYS 11 5.236 14.702 1.262 82 HB3 LYS 11 HB3 LYS 11 4.318 15.221 -0.134 83 HG2 LYS 11 HG2 LYS 11 5.860 13.193 -1.238 84 HG3 LYS 11 HG3 LYS 11 5.694 12.654 0.448 85 HD2 LYS 11 HD2 LYS 11 3.129 13.212 0.067 86 HD3 LYS 11 HD3 LYS 11 3.531 13.116 -1.636 87 HE2 LYS 11 HE2 LYS 11 3.993 10.883 0.425 88 HE3 LYS 11 HE3 LYS 11 2.595 11.004 -0.634 89 HZ1 LYS 11 HZ1 LYS 11 4.072 10.802 -2.557 90 HZ2 LYS 11 HZ2 LYS 11 5.391 10.670 -1.601 91 HZ3 LYS 11 HZ3 LYS 11 4.242 9.522 -1.577 92 H ASP 12 H ASP 12 7.886 16.089 1.753 93 HA ASP 12 HA ASP 12 10.257 14.586 0.727 94 HB2 ASP 12 HB2 ASP 12 10.343 17.036 0.226 95 HB3 ASP 12 HB3 ASP 12 10.377 17.352 1.958 96 H TYR 13 H TYR 13 10.826 16.348 3.703 97 HA TYR 13 HA TYR 13 11.027 13.986 5.304 98 HB2 TYR 13 HB2 TYR 13 10.392 16.800 6.257 99 HB3 TYR 13 HB3 TYR 13 11.119 15.505 7.198 100 HD1 TYR 13 HD1 TYR 13 11.925 18.536 6.043 101 HD2 TYR 13 HD2 TYR 13 13.308 14.466 5.588 102 HE1 TYR 13 HE1 TYR 13 14.187 19.366 5.418 103 HE2 TYR 13 HE2 TYR 13 15.560 15.302 4.970 104 HH TYR 13 HH TYR 13 16.860 17.131 4.619 105 H SER 14 H SER 14 8.281 16.082 4.610 106 HA SER 14 HA SER 14 6.332 15.035 6.343 107 HB2 SER 14 HB2 SER 14 4.735 15.816 4.578 108 HB3 SER 14 HB3 SER 14 5.906 17.029 5.122 109 HG SER 14 HG SER 14 5.737 17.045 2.890 110 H GLN 15 H GLN 15 7.945 13.223 3.848 111 HA GLN 15 HA GLN 15 5.699 11.720 2.904 112 HB2 GLN 15 HB2 GLN 15 7.176 10.323 1.795 113 HB3 GLN 15 HB3 GLN 15 7.954 11.900 1.797 114 HG2 GLN 15 HG2 GLN 15 9.286 11.036 3.865 115 HG3 GLN 15 HG3 GLN 15 8.628 9.436 3.489 116 HE21 GLN 15 HE21 GLN 15 11.328 11.152 0.860 117 HE22 GLN 15 HE22 GLN 15 10.292 12.166 1.888 118 H ILE 16 H ILE 16 7.616 11.504 5.782 119 HA ILE 16 HA ILE 16 7.088 8.874 6.707 120 HB ILE 16 HB ILE 16 7.264 11.484 8.301 121 HG12 ILE 16 HG12 ILE 16 9.533 9.561 7.726 122 HG13 ILE 16 HG13 ILE 16 9.187 10.986 6.735 123 HG21 ILE 16 HG21 ILE 16 7.390 8.555 9.070 124 HG22 ILE 16 HG22 ILE 16 8.067 9.820 10.109 125 HG23 ILE 16 HG23 ILE 16 6.335 9.821 9.729 126 HD11 ILE 16 HD11 ILE 16 10.912 11.571 8.269 127 HD12 ILE 16 HD12 ILE 16 9.440 12.473 8.649 128 HD13 ILE 16 HD13 ILE 16 9.919 11.096 9.668 129 H LEU 17 H LEU 17 5.319 11.905 7.045 130 HA LEU 17 HA LEU 17 3.223 10.963 8.755 131 HB2 LEU 17 HB2 LEU 17 3.105 13.170 6.717 132 HB3 LEU 17 HB3 LEU 17 2.268 13.074 8.285 133 HG LEU 17 HG LEU 17 5.197 13.688 7.737 134 HD11 LEU 17 HD11 LEU 17 2.855 15.366 8.714 135 HD12 LEU 17 HD12 LEU 17 4.545 15.879 8.612 136 HD13 LEU 17 HD13 LEU 17 3.683 15.437 7.136 137 HD21 LEU 17 HD21 LEU 17 5.228 14.334 10.209 138 HD22 LEU 17 HD22 LEU 17 3.807 13.284 10.392 139 HD23 LEU 17 HD23 LEU 17 5.367 12.643 9.780 140 H LYS 18 H LYS 18 3.777 10.858 5.298 141 HA LYS 18 HA LYS 18 1.062 10.323 4.468 142 HB2 LYS 18 HB2 LYS 18 3.603 10.064 2.886 143 HB3 LYS 18 HB3 LYS 18 1.967 10.114 2.246 144 HG2 LYS 18 HG2 LYS 18 3.215 12.362 3.853 145 HG3 LYS 18 HG3 LYS 18 3.295 12.294 2.117 146 HD2 LYS 18 HD2 LYS 18 0.854 12.577 1.975 147 HD3 LYS 18 HD3 LYS 18 0.703 12.426 3.740 148 HE2 LYS 18 HE2 LYS 18 2.165 14.429 4.031 149 HE3 LYS 18 HE3 LYS 18 2.256 14.619 2.279 150 HZ1 LYS 18 HZ1 LYS 18 -0.123 15.036 2.241 151 HZ2 LYS 18 HZ2 LYS 18 -0.261 14.767 3.846 152 HZ3 LYS 18 HZ3 LYS 18 0.574 16.062 3.309 153 H GLU 19 H GLU 19 3.926 8.388 5.228 154 HA GLU 19 HA GLU 19 2.567 5.927 4.367 155 HB2 GLU 19 HB2 GLU 19 4.598 4.937 4.171 156 HB3 GLU 19 HB3 GLU 19 4.990 6.612 3.778 157 HG2 GLU 19 HG2 GLU 19 5.726 6.900 6.191 158 HG3 GLU 19 HG3 GLU 19 5.487 5.165 6.423 159 H GLU 20 H GLU 20 3.786 7.362 7.402 160 HA GLU 20 HA GLU 20 3.179 4.941 8.934 161 HB2 GLU 20 HB2 GLU 20 4.133 7.690 9.869 162 HB3 GLU 20 HB3 GLU 20 3.911 6.249 10.867 163 HG2 GLU 20 HG2 GLU 20 5.506 5.042 9.239 164 HG3 GLU 20 HG3 GLU 20 5.931 6.638 8.630 165 H PHE 21 H PHE 21 1.366 7.902 8.207 166 HA PHE 21 HA PHE 21 -0.332 7.861 10.467 167 HB2 PHE 21 HB2 PHE 21 -0.514 9.742 9.102 168 HB3 PHE 21 HB3 PHE 21 -0.732 8.807 7.640 169 HD1 PHE 21 HD1 PHE 21 -2.525 8.841 10.977 170 HD2 PHE 21 HD2 PHE 21 -2.825 9.189 6.688 171 HE1 PHE 21 HE1 PHE 21 -4.984 9.079 11.171 172 HE2 PHE 21 HE2 PHE 21 -5.286 9.432 6.887 173 HZ PHE 21 HZ PHE 21 -6.373 9.382 9.128 174 HA PRO 22 HA PRO 22 -3.111 4.532 8.317 175 HB2 PRO 22 HB2 PRO 22 -0.912 3.154 6.802 176 HB3 PRO 22 HB3 PRO 22 -2.679 3.181 6.474 177 HG2 PRO 22 HG2 PRO 22 -0.988 4.802 5.064 178 HG3 PRO 22 HG3 PRO 22 -2.548 5.446 5.673 179 HD2 PRO 22 HD2 PRO 22 0.215 5.772 6.838 180 HD3 PRO 22 HD3 PRO 22 -1.092 6.971 6.642 181 H LYS 23 H LYS 23 0.330 3.931 9.294 182 HA LYS 23 HA LYS 23 -0.185 1.417 10.596 183 HB2 LYS 23 HB2 LYS 23 1.942 3.463 11.316 184 HB3 LYS 23 HB3 LYS 23 1.895 1.782 11.810 185 HG2 LYS 23 HG2 LYS 23 2.075 2.684 8.908 186 HG3 LYS 23 HG3 LYS 23 3.464 2.278 9.922 187 HD2 LYS 23 HD2 LYS 23 2.555 -0.030 10.218 188 HD3 LYS 23 HD3 LYS 23 1.214 0.377 9.125 189 HE2 LYS 23 HE2 LYS 23 2.836 0.893 7.316 190 HE3 LYS 23 HE3 LYS 23 4.177 0.500 8.405 191 HZ1 LYS 23 HZ1 LYS 23 3.321 -1.773 8.522 192 HZ2 LYS 23 HZ2 LYS 23 2.083 -1.412 7.523 193 HZ3 LYS 23 HZ3 LYS 23 3.615 -1.369 6.974 194 H ILE 24 H ILE 24 -0.437 4.781 11.671 195 HA ILE 24 HA ILE 24 -1.249 4.034 14.387 196 HB ILE 24 HB ILE 24 -1.027 6.111 15.032 197 HG12 ILE 24 HG12 ILE 24 -1.148 8.035 12.942 198 HG13 ILE 24 HG13 ILE 24 -2.536 7.047 12.661 199 HG21 ILE 24 HG21 ILE 24 1.072 5.486 13.774 200 HG22 ILE 24 HG22 ILE 24 0.422 6.433 12.408 201 HG23 ILE 24 HG23 ILE 24 0.836 7.248 13.930 202 HD11 ILE 24 HD11 ILE 24 -3.323 7.439 14.928 203 HD12 ILE 24 HD12 ILE 24 -1.818 8.350 15.324 204 HD13 ILE 24 HD13 ILE 24 -2.992 8.971 14.138 205 H ASP 25 H ASP 25 -2.872 4.788 11.391 206 HA ASP 25 HA ASP 25 -5.340 5.631 12.463 207 HB2 ASP 25 HB2 ASP 25 -4.438 5.876 10.173 208 HB3 ASP 25 HB3 ASP 25 -4.722 4.158 9.881 209 H SER 26 H SER 26 -4.100 2.378 11.886 210 HA SER 26 HA SER 26 -6.431 0.853 12.641 211 HB2 SER 26 HB2 SER 26 -4.466 -0.082 11.477 212 HB3 SER 26 HB3 SER 26 -3.461 0.218 12.909 213 HG SER 26 HG SER 26 -4.263 -1.941 12.754 214 H LEU 27 H LEU 27 -3.891 2.498 14.576 215 HA LEU 27 HA LEU 27 -4.792 1.362 17.091 216 HB2 LEU 27 HB2 LEU 27 -2.500 1.866 17.021 217 HB3 LEU 27 HB3 LEU 27 -2.754 3.418 16.247 218 HG LEU 27 HG LEU 27 -3.802 4.302 18.313 219 HD11 LEU 27 HD11 LEU 27 -4.497 2.140 19.370 220 HD12 LEU 27 HD12 LEU 27 -2.791 1.680 19.540 221 HD13 LEU 27 HD13 LEU 27 -3.446 3.063 20.439 222 HD21 LEU 27 HD21 LEU 27 -1.670 4.546 19.530 223 HD22 LEU 27 HD22 LEU 27 -0.990 3.152 18.667 224 HD23 LEU 27 HD23 LEU 27 -1.390 4.637 17.780 225 H ALA 28 H ALA 28 -5.035 4.638 15.614 226 HA ALA 28 HA ALA 28 -6.566 5.852 17.584 227 HB1 ALA 28 HB1 ALA 28 -6.636 6.350 14.578 228 HB2 ALA 28 HB2 ALA 28 -7.140 7.504 15.830 229 HB3 ALA 28 HB3 ALA 28 -5.444 7.023 15.712 230 H GLN 29 H GLN 29 -7.744 3.671 15.105 231 HA GLN 29 HA GLN 29 -10.559 4.098 15.574 232 HB2 GLN 29 HB2 GLN 29 -8.943 1.880 14.306 233 HB3 GLN 29 HB3 GLN 29 -10.689 1.732 14.508 234 HG2 GLN 29 HG2 GLN 29 -11.128 3.702 13.180 235 HG3 GLN 29 HG3 GLN 29 -9.410 4.097 13.083 236 HE21 GLN 29 HE21 GLN 29 -8.684 1.655 10.558 237 HE22 GLN 29 HE22 GLN 29 -7.993 2.641 11.863 238 H ASN 30 H ASN 30 -8.285 2.771 17.685 239 HA ASN 30 HA ASN 30 -10.301 1.242 19.215 240 HB2 ASN 30 HB2 ASN 30 -7.428 0.517 18.508 241 HB3 ASN 30 HB3 ASN 30 -8.375 -0.325 19.732 242 HD21 ASN 30 HD21 ASN 30 -8.946 -1.329 15.881 243 HD22 ASN 30 HD22 ASN 30 -7.717 -0.146 16.309 244 H ASP 31 H ASP 31 -7.203 3.027 19.428 245 HA ASP 31 HA ASP 31 -8.016 4.193 21.993 246 HB2 ASP 31 HB2 ASP 31 -6.842 2.075 22.608 247 HB3 ASP 31 HB3 ASP 31 -5.403 2.642 21.759 248 H CYS 32 H CYS 32 -8.173 5.950 20.333 249 HA CYS 32 HA CYS 32 -5.912 7.166 19.132 250 HB2 CYS 32 HB2 CYS 32 -7.405 9.198 19.101 251 HB3 CYS 32 HB3 CYS 32 -8.172 7.730 18.472 252 HG CYS 32 HG CYS 32 -9.993 8.974 19.803 253 H ASN 33 H ASN 33 -6.879 7.146 22.445 254 HA ASN 33 HA ASN 33 -5.455 9.366 23.497 255 HB2 ASN 33 HB2 ASN 33 -5.818 6.701 24.883 256 HB3 ASN 33 HB3 ASN 33 -5.761 8.297 25.618 257 HD21 ASN 33 HD21 ASN 33 -9.311 6.760 24.571 258 HD22 ASN 33 HD22 ASN 33 -7.808 5.826 24.562 259 H SER 34 H SER 34 -4.252 6.303 22.303 260 HA SER 34 HA SER 34 -1.470 6.951 23.212 261 HB2 SER 34 HB2 SER 34 -2.581 4.532 21.757 262 HB3 SER 34 HB3 SER 34 -0.886 4.777 22.198 263 HG SER 34 HG SER 34 -3.133 4.223 23.815 264 H ALA 35 H ALA 35 -3.537 6.849 20.337 265 HA ALA 35 HA ALA 35 -1.483 6.813 18.380 266 HB1 ALA 35 HB1 ALA 35 -4.127 6.398 18.366 267 HB2 ALA 35 HB2 ALA 35 -4.148 8.085 17.816 268 HB3 ALA 35 HB3 ALA 35 -3.241 6.821 16.925 269 H LEU 36 H LEU 36 -2.931 9.623 20.035 270 HA LEU 36 HA LEU 36 -1.711 11.579 18.382 271 HB2 LEU 36 HB2 LEU 36 -2.345 13.133 19.956 272 HB3 LEU 36 HB3 LEU 36 -3.517 11.861 20.198 273 HG LEU 36 HG LEU 36 -1.041 12.339 21.937 274 HD11 LEU 36 HD11 LEU 36 -2.615 14.220 22.059 275 HD12 LEU 36 HD12 LEU 36 -3.950 13.094 22.367 276 HD13 LEU 36 HD13 LEU 36 -2.643 13.272 23.558 277 HD21 LEU 36 HD21 LEU 36 -2.265 10.915 23.560 278 HD22 LEU 36 HD22 LEU 36 -3.530 10.622 22.348 279 HD23 LEU 36 HD23 LEU 36 -1.881 10.012 22.100 280 H ASP 37 H ASP 37 -0.328 9.596 20.877 281 HA ASP 37 HA ASP 37 2.269 10.945 20.873 282 HB2 ASP 37 HB2 ASP 37 1.457 8.288 22.051 283 HB3 ASP 37 HB3 ASP 37 2.985 9.110 22.325 284 H GLN 38 H GLN 38 0.890 9.395 18.442 285 HA GLN 38 HA GLN 38 3.495 8.368 17.501 286 HB2 GLN 38 HB2 GLN 38 0.699 7.558 16.601 287 HB3 GLN 38 HB3 GLN 38 2.203 6.984 15.873 288 HG2 GLN 38 HG2 GLN 38 1.502 6.584 18.804 289 HG3 GLN 38 HG3 GLN 38 1.078 5.434 17.543 290 HE21 GLN 38 HE21 GLN 38 4.985 5.613 18.779 291 HE22 GLN 38 HE22 GLN 38 3.895 6.925 19.228 292 H LEU 39 H LEU 39 0.548 10.077 16.127 293 HA LEU 39 HA LEU 39 2.202 11.169 14.024 294 HB2 LEU 39 HB2 LEU 39 -0.435 12.219 15.145 295 HB3 LEU 39 HB3 LEU 39 0.335 12.790 13.664 296 HG LEU 39 HG LEU 39 -0.845 10.078 14.231 297 HD11 LEU 39 HD11 LEU 39 -2.385 11.976 13.623 298 HD12 LEU 39 HD12 LEU 39 -1.523 12.132 12.082 299 HD13 LEU 39 HD13 LEU 39 -2.417 10.646 12.463 300 HD21 LEU 39 HD21 LEU 39 -0.297 9.690 11.706 301 HD22 LEU 39 HD22 LEU 39 0.787 11.076 11.826 302 HD23 LEU 39 HD23 LEU 39 1.088 9.619 12.800 303 H LEU 40 H LEU 40 1.337 12.644 17.251 304 HA LEU 40 HA LEU 40 2.544 15.159 16.295 305 HB2 LEU 40 HB2 LEU 40 1.497 14.575 19.058 306 HB3 LEU 40 HB3 LEU 40 1.963 16.122 18.404 307 HG LEU 40 HG LEU 40 -0.210 16.496 17.965 308 HD11 LEU 40 HD11 LEU 40 0.459 15.929 15.622 309 HD12 LEU 40 HD12 LEU 40 -0.245 14.326 15.874 310 HD13 LEU 40 HD13 LEU 40 -1.264 15.747 15.997 311 HD21 LEU 40 HD21 LEU 40 -0.673 14.583 19.488 312 HD22 LEU 40 HD22 LEU 40 -1.924 15.089 18.360 313 HD23 LEU 40 HD23 LEU 40 -0.961 13.628 18.005 314 H VAL 41 H VAL 41 3.735 12.337 17.686 315 HA VAL 41 HA VAL 41 6.189 13.355 18.841 316 HB VAL 41 HB VAL 41 5.343 10.658 17.732 317 HG11 VAL 41 HG11 VAL 41 8.050 11.338 18.971 318 HG12 VAL 41 HG12 VAL 41 7.415 9.696 18.729 319 HG13 VAL 41 HG13 VAL 41 7.754 10.712 17.332 320 HG21 VAL 41 HG21 VAL 41 6.054 11.726 20.533 321 HG22 VAL 41 HG22 VAL 41 4.420 11.365 19.940 322 HG23 VAL 41 HG23 VAL 41 5.591 10.058 20.174 323 H LEU 42 H LEU 42 5.105 12.575 15.545 324 HA LEU 42 HA LEU 42 7.636 12.897 14.266 325 HB2 LEU 42 HB2 LEU 42 4.839 13.472 13.246 326 HB3 LEU 42 HB3 LEU 42 6.267 13.445 12.249 327 HG LEU 42 HG LEU 42 5.519 11.016 13.933 328 HD11 LEU 42 HD11 LEU 42 3.620 11.647 12.279 329 HD12 LEU 42 HD12 LEU 42 4.741 11.078 11.023 330 HD13 LEU 42 HD13 LEU 42 4.252 9.991 12.306 331 HD21 LEU 42 HD21 LEU 42 6.873 9.910 12.118 332 HD22 LEU 42 HD22 LEU 42 7.174 11.529 11.408 333 HD23 LEU 42 HD23 LEU 42 7.801 11.119 13.009 334 H GLU 43 H GLU 43 4.937 15.238 14.538 335 HA GLU 43 HA GLU 43 6.129 17.614 13.752 336 HB2 GLU 43 HB2 GLU 43 3.911 17.718 14.379 337 HB3 GLU 43 HB3 GLU 43 4.129 16.953 15.919 338 HG2 GLU 43 HG2 GLU 43 5.315 19.705 15.366 339 HG3 GLU 43 HG3 GLU 43 3.614 19.567 15.667 340 H LYS 44 H LYS 44 6.489 16.199 16.998 341 HA LYS 44 HA LYS 44 8.211 18.209 18.073 342 HB2 LYS 44 HB2 LYS 44 6.992 16.431 19.357 343 HB3 LYS 44 HB3 LYS 44 8.115 15.229 18.726 344 HG2 LYS 44 HG2 LYS 44 10.016 16.424 19.824 345 HG3 LYS 44 HG3 LYS 44 8.906 17.676 20.379 346 HD2 LYS 44 HD2 LYS 44 9.359 16.240 22.230 347 HD3 LYS 44 HD3 LYS 44 7.687 15.953 21.738 348 HE2 LYS 44 HE2 LYS 44 8.393 13.892 20.531 349 HE3 LYS 44 HE3 LYS 44 10.085 14.216 20.953 350 HZ1 LYS 44 HZ1 LYS 44 9.097 12.625 22.485 351 HZ2 LYS 44 HZ2 LYS 44 9.484 13.980 23.293 352 HZ3 LYS 44 HZ3 LYS 44 7.929 13.673 22.921 353 H LYS 45 H LYS 45 9.052 15.111 16.516 354 HA LYS 45 HA LYS 45 11.910 15.469 16.639 355 HB2 LYS 45 HB2 LYS 45 10.684 13.284 16.404 356 HB3 LYS 45 HB3 LYS 45 10.180 13.746 14.779 357 HG2 LYS 45 HG2 LYS 45 12.552 13.844 14.046 358 HG3 LYS 45 HG3 LYS 45 13.078 13.444 15.695 359 HD2 LYS 45 HD2 LYS 45 11.892 11.268 15.541 360 HD3 LYS 45 HD3 LYS 45 11.351 11.671 13.901 361 HE2 LYS 45 HE2 LYS 45 13.729 11.836 13.167 362 HE3 LYS 45 HE3 LYS 45 14.260 11.435 14.804 363 HZ1 LYS 45 HZ1 LYS 45 14.261 9.480 13.391 364 HZ2 LYS 45 HZ2 LYS 45 13.152 9.280 14.561 365 HZ3 LYS 45 HZ3 LYS 45 12.680 9.645 13.038 366 H THR 46 H THR 46 9.601 16.116 13.949 367 HA THR 46 HA THR 46 11.650 17.018 12.165 368 HB THR 46 HB THR 46 10.232 16.581 10.726 369 HG1 THR 46 HG1 THR 46 10.092 18.571 10.173 370 HG21 THR 46 HG21 THR 46 8.064 17.074 12.724 371 HG22 THR 46 HG22 THR 46 7.740 16.568 11.064 372 HG23 THR 46 HG23 THR 46 8.702 15.509 12.084 373 H ARG 47 H ARG 47 9.526 18.975 14.345 374 HA ARG 47 HA ARG 47 10.748 21.480 13.631 375 HB2 ARG 47 HB2 ARG 47 8.681 21.526 14.923 376 HB3 ARG 47 HB3 ARG 47 9.403 20.554 16.202 377 HG2 ARG 47 HG2 ARG 47 9.179 22.782 16.948 378 HG3 ARG 47 HG3 ARG 47 10.893 22.458 16.810 379 HD2 ARG 47 HD2 ARG 47 9.290 23.900 14.640 380 HD3 ARG 47 HD3 ARG 47 9.989 24.724 16.044 381 HE ARG 47 HE ARG 47 12.075 23.248 14.813 382 HH11 ARG 47 HH11 ARG 47 13.561 24.138 13.491 383 HH12 ARG 47 HH12 ARG 47 13.236 25.650 12.694 384 HH21 ARG 47 HH21 ARG 47 10.290 26.223 14.320 385 HH22 ARG 47 HH22 ARG 47 11.423 26.773 13.102 386 H GLN 48 H GLN 48 11.627 19.183 16.278 387 HA GLN 48 HA GLN 48 13.792 20.813 17.167 388 HB2 GLN 48 HB2 GLN 48 13.128 17.888 17.639 389 HB3 GLN 48 HB3 GLN 48 14.465 18.718 18.438 390 HG2 GLN 48 HG2 GLN 48 11.546 19.587 18.615 391 HG3 GLN 48 HG3 GLN 48 12.402 18.668 19.846 392 HE21 GLN 48 HE21 GLN 48 12.371 22.414 20.602 393 HE22 GLN 48 HE22 GLN 48 11.086 21.322 20.112 394 H ALA 49 H ALA 49 13.775 18.161 14.781 395 HA ALA 49 HA ALA 49 16.618 18.120 14.381 396 HB1 ALA 49 HB1 ALA 49 15.977 16.721 12.442 397 HB2 ALA 49 HB2 ALA 49 15.108 16.226 13.904 398 HB3 ALA 49 HB3 ALA 49 14.274 17.189 12.664 399 H SER 50 H SER 50 14.379 20.531 13.571 400 HA SER 50 HA SER 50 14.151 22.145 12.061 401 HB2 SER 50 HB2 SER 50 17.129 21.920 11.538 402 HB3 SER 50 HB3 SER 50 16.062 23.251 11.051 403 HG SER 50 HG SER 50 16.639 22.393 13.692 404 H ASP 51 H ASP 51 13.677 19.483 11.305 405 HA ASP 51 HA ASP 51 13.728 19.538 8.317 406 HB2 ASP 51 HB2 ASP 51 12.959 17.364 10.305 407 HB3 ASP 51 HB3 ASP 51 12.831 17.213 8.559 408 H LEU 52 H LEU 52 12.271 21.401 10.063 409 HA LEU 52 HA LEU 52 9.765 20.743 10.905 410 HB2 LEU 52 HB2 LEU 52 9.357 23.021 11.053 411 HB3 LEU 52 HB3 LEU 52 10.960 22.591 11.619 412 HG LEU 52 HG LEU 52 10.972 24.740 10.673 413 HD11 LEU 52 HD11 LEU 52 12.754 24.685 9.092 414 HD12 LEU 52 HD12 LEU 52 13.001 23.417 10.299 415 HD13 LEU 52 HD13 LEU 52 12.414 23.005 8.662 416 HD21 LEU 52 HD21 LEU 52 10.347 25.416 8.514 417 HD22 LEU 52 HD22 LEU 52 10.246 23.764 7.909 418 HD23 LEU 52 HD23 LEU 52 9.026 24.360 9.047 419 H ALA 53 H ALA 53 10.527 21.295 7.663 420 HA ALA 53 HA ALA 53 8.034 21.935 6.473 421 HB1 ALA 53 HB1 ALA 53 8.960 20.810 4.484 422 HB2 ALA 53 HB2 ALA 53 10.209 21.791 5.282 423 HB3 ALA 53 HB3 ALA 53 10.190 20.022 5.498 424 H SER 54 H SER 54 9.036 18.940 8.015 425 HA SER 54 HA SER 54 6.605 17.481 7.092 426 HB2 SER 54 HB2 SER 54 8.624 16.186 7.498 427 HB3 SER 54 HB3 SER 54 8.663 16.655 9.180 428 HG SER 54 HG SER 54 7.669 14.599 8.598 429 H SER 55 H SER 55 7.760 18.839 10.251 430 HA SER 55 HA SER 55 5.425 18.502 11.697 431 HB2 SER 55 HB2 SER 55 6.194 20.118 13.215 432 HB3 SER 55 HB3 SER 55 7.644 19.377 12.535 433 HG SER 55 HG SER 55 7.551 21.275 11.010 434 H LYS 56 H LYS 56 6.041 21.015 9.309 435 HA LYS 56 HA LYS 56 3.774 22.698 9.664 436 HB2 LYS 56 HB2 LYS 56 5.779 23.062 8.191 437 HB3 LYS 56 HB3 LYS 56 5.113 21.861 7.069 438 HG2 LYS 56 HG2 LYS 56 3.147 23.287 6.662 439 HG3 LYS 56 HG3 LYS 56 3.746 24.478 7.837 440 HD2 LYS 56 HD2 LYS 56 5.738 24.896 6.425 441 HD3 LYS 56 HD3 LYS 56 5.253 23.597 5.335 442 HE2 LYS 56 HE2 LYS 56 4.656 25.620 4.252 443 HE3 LYS 56 HE3 LYS 56 3.158 24.854 4.777 444 HZ1 LYS 56 HZ1 LYS 56 3.185 27.232 5.241 445 HZ2 LYS 56 HZ2 LYS 56 3.095 26.422 6.641 446 HZ3 LYS 56 HZ3 LYS 56 4.512 27.101 6.171 447 H GLU 57 H GLU 57 3.941 19.535 8.105 448 HA GLU 57 HA GLU 57 1.173 19.682 7.056 449 HB2 GLU 57 HB2 GLU 57 3.395 17.627 7.021 450 HB3 GLU 57 HB3 GLU 57 1.782 17.240 6.447 451 HG2 GLU 57 HG2 GLU 57 3.368 19.602 5.349 452 HG3 GLU 57 HG3 GLU 57 3.624 17.968 4.770 453 H VAL 58 H VAL 58 2.951 18.286 9.803 454 HA VAL 58 HA VAL 58 0.700 16.743 10.811 455 HB VAL 58 HB VAL 58 2.760 17.885 12.632 456 HG11 VAL 58 HG11 VAL 58 0.790 16.397 13.398 457 HG12 VAL 58 HG12 VAL 58 1.564 15.073 12.529 458 HG13 VAL 58 HG13 VAL 58 2.400 15.846 13.887 459 HG21 VAL 58 HG21 VAL 58 4.119 16.967 10.777 460 HG22 VAL 58 HG22 VAL 58 4.293 16.007 12.243 461 HG23 VAL 58 HG23 VAL 58 3.246 15.436 10.934 462 H LEU 59 H LEU 59 1.955 19.967 11.433 463 HA LEU 59 HA LEU 59 0.420 20.798 13.565 464 HB2 LEU 59 HB2 LEU 59 1.719 22.128 11.240 465 HB3 LEU 59 HB3 LEU 59 0.713 23.099 12.311 466 HG LEU 59 HG LEU 59 2.988 21.409 13.400 467 HD11 LEU 59 HD11 LEU 59 3.914 22.993 11.820 468 HD12 LEU 59 HD12 LEU 59 2.919 24.320 12.485 469 HD13 LEU 59 HD13 LEU 59 4.224 23.594 13.445 470 HD21 LEU 59 HD21 LEU 59 1.263 23.656 14.483 471 HD22 LEU 59 HD22 LEU 59 1.388 21.965 15.052 472 HD23 LEU 59 HD23 LEU 59 2.739 23.068 15.264 473 H ALA 60 H ALA 60 -0.682 20.632 10.232 474 HA ALA 60 HA ALA 60 -3.120 22.032 10.769 475 HB1 ALA 60 HB1 ALA 60 -2.192 20.303 8.421 476 HB2 ALA 60 HB2 ALA 60 -3.591 21.397 8.377 477 HB3 ALA 60 HB3 ALA 60 -1.950 22.056 8.580 478 H LYS 61 H LYS 61 -2.295 18.924 11.613 479 HA LYS 61 HA LYS 61 -5.108 18.418 12.251 480 HB2 LYS 61 HB2 LYS 61 -5.361 16.550 11.237 481 HB3 LYS 61 HB3 LYS 61 -3.951 17.015 10.290 482 HG2 LYS 61 HG2 LYS 61 -3.883 15.162 12.705 483 HG3 LYS 61 HG3 LYS 61 -4.045 14.626 11.052 484 HD2 LYS 61 HD2 LYS 61 -1.664 16.126 12.174 485 HD3 LYS 61 HD3 LYS 61 -1.735 14.408 11.875 486 HE2 LYS 61 HE2 LYS 61 -1.935 16.602 9.755 487 HE3 LYS 61 HE3 LYS 61 -0.534 15.576 10.044 488 HZ1 LYS 61 HZ1 LYS 61 -3.164 14.585 9.063 489 HZ2 LYS 61 HZ2 LYS 61 -1.831 14.785 8.161 490 HZ3 LYS 61 HZ3 LYS 61 -1.850 13.650 9.324 491 H ILE 62 H ILE 62 -2.238 19.073 13.436 492 HA ILE 62 HA ILE 62 -2.024 17.745 15.867 493 HB ILE 62 HB ILE 62 -1.011 19.970 14.610 494 HG12 ILE 62 HG12 ILE 62 0.423 20.129 16.826 495 HG13 ILE 62 HG13 ILE 62 -0.394 18.592 17.144 496 HG21 ILE 62 HG21 ILE 62 -1.018 21.881 15.994 497 HG22 ILE 62 HG22 ILE 62 -2.636 21.500 15.446 498 HG23 ILE 62 HG23 ILE 62 -2.162 21.120 17.129 499 HD11 ILE 62 HD11 ILE 62 0.324 18.067 14.678 500 HD12 ILE 62 HD12 ILE 62 1.471 19.411 14.903 501 HD13 ILE 62 HD13 ILE 62 1.567 18.001 15.968 502 H VAL 63 H VAL 63 -4.470 20.146 14.885 503 HA VAL 63 HA VAL 63 -5.596 20.359 17.573 504 HB VAL 63 HB VAL 63 -5.852 22.084 15.847 505 HG11 VAL 63 HG11 VAL 63 -7.998 20.330 14.615 506 HG12 VAL 63 HG12 VAL 63 -7.589 22.000 14.183 507 HG13 VAL 63 HG13 VAL 63 -6.423 20.707 13.863 508 HG21 VAL 63 HG21 VAL 63 -8.325 20.938 17.144 509 HG22 VAL 63 HG22 VAL 63 -7.166 22.081 17.854 510 HG23 VAL 63 HG23 VAL 63 -8.206 22.583 16.503 511 H ASP 64 H ASP 64 -6.132 18.245 14.906 512 HA ASP 64 HA ASP 64 -8.515 17.044 15.903 513 HB2 ASP 64 HB2 ASP 64 -6.666 16.119 13.669 514 HB3 ASP 64 HB3 ASP 64 -8.230 15.414 14.025 515 H LEU 65 H LEU 65 -5.228 16.484 16.684 516 HA LEU 65 HA LEU 65 -6.022 13.964 18.094 517 HB2 LEU 65 HB2 LEU 65 -3.409 14.568 16.752 518 HB3 LEU 65 HB3 LEU 65 -3.577 13.418 18.075 519 HG LEU 65 HG LEU 65 -5.448 12.288 16.608 520 HD11 LEU 65 HD11 LEU 65 -3.785 13.768 14.530 521 HD12 LEU 65 HD12 LEU 65 -4.965 12.471 14.193 522 HD13 LEU 65 HD13 LEU 65 -5.511 14.015 14.855 523 HD21 LEU 65 HD21 LEU 65 -3.499 11.142 17.238 524 HD22 LEU 65 HD22 LEU 65 -3.695 10.927 15.505 525 HD23 LEU 65 HD23 LEU 65 -2.483 12.083 16.119 526 H LEU 66 H LEU 66 -3.837 16.920 18.529 527 HA LEU 66 HA LEU 66 -3.632 16.390 21.361 528 HB2 LEU 66 HB2 LEU 66 -3.322 19.004 19.871 529 HB3 LEU 66 HB3 LEU 66 -2.901 18.770 21.555 530 HG LEU 66 HG LEU 66 -1.625 17.296 19.259 531 HD11 LEU 66 HD11 LEU 66 0.256 18.907 19.600 532 HD12 LEU 66 HD12 LEU 66 -1.240 19.659 19.020 533 HD13 LEU 66 HD13 LEU 66 -0.779 19.827 20.716 534 HD21 LEU 66 HD21 LEU 66 -1.345 16.149 21.437 535 HD22 LEU 66 HD22 LEU 66 0.189 16.855 20.910 536 HD23 LEU 66 HD23 LEU 66 -0.771 17.663 22.167 537 H ALA 67 H ALA 67 -5.293 19.269 19.954 538 HA ALA 67 HA ALA 67 -6.739 19.922 22.260 539 HB1 ALA 67 HB1 ALA 67 -7.362 20.299 19.300 540 HB2 ALA 67 HB2 ALA 67 -8.235 21.145 20.611 541 HB3 ALA 67 HB3 ALA 67 -6.499 21.401 20.373 542 H SER 68 H SER 68 -7.719 17.757 19.742 543 HA SER 68 HA SER 68 -10.402 17.259 20.618 544 HB2 SER 68 HB2 SER 68 -8.630 15.627 18.780 545 HB3 SER 68 HB3 SER 68 -10.384 15.437 18.962 546 HG SER 68 HG SER 68 -8.960 17.708 17.977 547 H ARG 69 H ARG 69 -7.409 15.921 21.786 548 HA ARG 69 HA ARG 69 -8.932 13.928 23.427 549 HB2 ARG 69 HB2 ARG 69 -6.004 13.815 22.658 550 HB3 ARG 69 HB3 ARG 69 -6.850 12.660 23.674 551 HG2 ARG 69 HG2 ARG 69 -7.150 13.056 20.691 552 HG3 ARG 69 HG3 ARG 69 -6.586 11.634 21.562 553 HD2 ARG 69 HD2 ARG 69 -9.411 12.703 21.303 554 HD3 ARG 69 HD3 ARG 69 -8.770 11.189 20.708 555 HE ARG 69 HE ARG 69 -8.557 10.434 23.098 556 HH11 ARG 69 HH11 ARG 69 -10.943 12.984 22.461 557 HH12 ARG 69 HH12 ARG 69 -11.912 12.445 23.808 558 HH21 ARG 69 HH21 ARG 69 -9.789 9.951 24.782 559 HH22 ARG 69 HH22 ARG 69 -11.288 10.817 25.087 560 H ASN 70 H ASN 70 -8.765 16.718 23.932 561 HA ASN 70 HA ASN 70 -8.456 18.184 25.552 562 HB2 ASN 70 HB2 ASN 70 -8.226 15.757 27.350 563 HB3 ASN 70 HB3 ASN 70 -8.489 17.404 27.905 564 HD21 ASN 70 HD21 ASN 70 -11.737 15.397 27.198 565 HD22 ASN 70 HD22 ASN 70 -10.192 14.735 27.705 566 H LYS 71 H LYS 71 -5.912 17.176 24.172 567 HA LYS 71 HA LYS 71 -4.007 18.438 26.035 568 HB2 LYS 71 HB2 LYS 71 -3.421 17.038 23.415 569 HB3 LYS 71 HB3 LYS 71 -2.223 17.732 24.499 570 HG2 LYS 71 HG2 LYS 71 -4.052 15.367 25.100 571 HG3 LYS 71 HG3 LYS 71 -2.323 15.313 24.728 572 HD2 LYS 71 HD2 LYS 71 -1.809 16.575 26.792 573 HD3 LYS 71 HD3 LYS 71 -3.537 16.626 27.201 574 HE2 LYS 71 HE2 LYS 71 -3.630 14.161 27.242 575 HE3 LYS 71 HE3 LYS 71 -1.919 14.070 26.802 576 HZ1 LYS 71 HZ1 LYS 71 -1.393 15.189 28.899 577 HZ2 LYS 71 HZ2 LYS 71 -2.974 15.276 29.303 578 HZ3 LYS 71 HZ3 LYS 71 -2.239 13.835 29.194 579 H TRP 72 H TRP 72 -6.190 19.834 24.805 580 HA TRP 72 HA TRP 72 -5.409 21.757 22.938 581 HB2 TRP 72 HB2 TRP 72 -6.935 23.226 24.635 582 HB3 TRP 72 HB3 TRP 72 -7.535 22.085 23.446 583 HD1 TRP 72 HD1 TRP 72 -9.479 20.924 24.215 584 HE1 TRP 72 HE1 TRP 72 -10.426 20.021 26.391 585 HE3 TRP 72 HE3 TRP 72 -5.615 22.072 27.441 586 HZ2 TRP 72 HZ2 TRP 72 -9.650 19.710 29.117 587 HZ3 TRP 72 HZ3 TRP 72 -5.735 21.362 29.802 588 HH2 TRP 72 HH2 TRP 72 -7.751 20.210 30.667 589 H ASP 73 H ASP 73 -4.135 21.437 26.157 590 HA ASP 73 HA ASP 73 -3.097 24.066 26.560 591 HB2 ASP 73 HB2 ASP 73 -3.337 22.183 28.223 592 HB3 ASP 73 HB3 ASP 73 -2.026 21.334 27.415 593 H ASP 74 H ASP 74 -1.991 21.356 24.551 594 HA ASP 74 HA ASP 74 0.614 22.509 24.046 595 HB2 ASP 74 HB2 ASP 74 -0.837 20.117 22.899 596 HB3 ASP 74 HB3 ASP 74 0.803 20.585 22.449 597 H LEU 75 H LEU 75 -2.542 22.757 22.373 598 HA LEU 75 HA LEU 75 -1.751 23.462 19.745 599 HB2 LEU 75 HB2 LEU 75 -4.104 23.832 21.453 600 HB3 LEU 75 HB3 LEU 75 -3.872 25.027 20.168 601 HG LEU 75 HG LEU 75 -5.315 23.043 19.657 602 HD11 LEU 75 HD11 LEU 75 -4.375 22.722 17.344 603 HD12 LEU 75 HD12 LEU 75 -4.697 24.376 17.883 604 HD13 LEU 75 HD13 LEU 75 -3.022 23.754 17.833 605 HD21 LEU 75 HD21 LEU 75 -3.903 21.307 20.711 606 HD22 LEU 75 HD22 LEU 75 -4.315 20.935 19.030 607 HD23 LEU 75 HD23 LEU 75 -2.701 21.520 19.424 608 H ASN 76 H ASN 76 -1.865 25.430 22.609 609 HA ASN 76 HA ASN 76 -1.098 27.944 21.718 610 HB2 ASN 76 HB2 ASN 76 -1.301 28.105 23.945 611 HB3 ASN 76 HB3 ASN 76 -1.180 26.379 24.134 612 HD21 ASN 76 HD21 ASN 76 1.900 26.460 25.706 613 HD22 ASN 76 HD22 ASN 76 0.404 25.590 25.342 614 H GLU 77 H GLU 77 1.149 25.317 22.550 615 HA GLU 77 HA GLU 77 3.511 26.685 21.631 616 HB2 GLU 77 HB2 GLU 77 3.391 24.772 23.331 617 HB3 GLU 77 HB3 GLU 77 3.131 23.699 21.962 618 HG2 GLU 77 HG2 GLU 77 5.441 23.570 22.473 619 HG3 GLU 77 HG3 GLU 77 5.331 24.493 20.978 620 H GLN 78 H GLN 78 1.218 24.473 20.096 621 HA GLN 78 HA GLN 78 2.688 23.827 17.754 622 HB2 GLN 78 HB2 GLN 78 -0.320 24.120 17.926 623 HB3 GLN 78 HB3 GLN 78 0.619 23.211 16.766 624 HG2 GLN 78 HG2 GLN 78 0.045 22.563 19.617 625 HG3 GLN 78 HG3 GLN 78 -0.176 21.583 18.248 626 HE21 GLN 78 HE21 GLN 78 3.139 21.196 20.460 627 HE22 GLN 78 HE22 GLN 78 1.739 22.161 20.952 628 H LEU 79 H LEU 79 0.662 26.591 18.502 629 HA LEU 79 HA LEU 79 0.934 27.951 15.994 630 HB2 LEU 79 HB2 LEU 79 -0.266 28.271 18.686 631 HB3 LEU 79 HB3 LEU 79 0.300 29.783 18.061 632 HG LEU 79 HG LEU 79 -2.066 29.390 17.483 633 HD11 LEU 79 HD11 LEU 79 -1.860 29.957 15.084 634 HD12 LEU 79 HD12 LEU 79 -0.673 30.829 16.068 635 HD13 LEU 79 HD13 LEU 79 -0.188 29.450 15.065 636 HD21 LEU 79 HD21 LEU 79 -1.137 27.140 15.644 637 HD22 LEU 79 HD22 LEU 79 -1.898 26.884 17.224 638 HD23 LEU 79 HD23 LEU 79 -2.800 27.685 15.922 639 H THR 80 H THR 80 3.097 27.616 18.487 640 HA THR 80 HA THR 80 4.722 30.021 17.726 641 HB THR 80 HB THR 80 4.645 28.090 20.008 642 HG1 THR 80 HG1 THR 80 3.557 29.941 20.390 643 HG21 THR 80 HG21 THR 80 6.708 29.173 20.884 644 HG22 THR 80 HG22 THR 80 6.981 28.112 19.480 645 HG23 THR 80 HG23 THR 80 6.967 29.891 19.269 646 H LEU 81 H LEU 81 4.980 26.446 17.639 647 HA LEU 81 HA LEU 81 7.507 25.748 17.285 648 HB2 LEU 81 HB2 LEU 81 5.508 24.974 15.190 649 HB3 LEU 81 HB3 LEU 81 7.033 24.162 15.566 650 HG LEU 81 HG LEU 81 4.519 24.299 17.176 651 HD11 LEU 81 HD11 LEU 81 4.477 21.921 16.813 652 HD12 LEU 81 HD12 LEU 81 4.906 22.620 15.260 653 HD13 LEU 81 HD13 LEU 81 6.165 21.907 16.257 654 HD21 LEU 81 HD21 LEU 81 7.184 23.157 18.099 655 HD22 LEU 81 HD22 LEU 81 6.305 24.528 18.826 656 HD23 LEU 81 HD23 LEU 81 5.616 22.905 18.894 657 H LEU 82 H LEU 82 5.951 26.819 14.270 658 HA LEU 82 HA LEU 82 8.536 26.792 12.979 659 HB2 LEU 82 HB2 LEU 82 6.006 28.000 11.783 660 HB3 LEU 82 HB3 LEU 82 7.389 27.351 10.932 661 HG LEU 82 HG LEU 82 5.349 25.736 12.519 662 HD11 LEU 82 HD11 LEU 82 5.914 25.904 9.531 663 HD12 LEU 82 HD12 LEU 82 4.708 24.865 10.316 664 HD13 LEU 82 HD13 LEU 82 4.522 26.628 10.369 665 HD21 LEU 82 HD21 LEU 82 6.479 23.757 11.511 666 HD22 LEU 82 HD22 LEU 82 7.762 24.825 10.906 667 HD23 LEU 82 HD23 LEU 82 7.522 24.606 12.652 668 H SER 83 H SER 83 7.035 29.206 14.786 669 HA SER 83 HA SER 83 8.144 31.544 13.371 670 HB2 SER 83 HB2 SER 83 5.903 31.501 14.496 671 HB3 SER 83 HB3 SER 83 6.724 31.347 16.055 672 HG SER 83 HG SER 83 7.828 33.335 15.515 673 H LYS 84 H LYS 84 9.168 29.337 15.840 674 HA LYS 84 HA LYS 84 10.457 30.817 17.751 675 HB2 LYS 84 HB2 LYS 84 11.300 28.156 16.537 676 HB3 LYS 84 HB3 LYS 84 12.015 28.827 18.006 677 HG2 LYS 84 HG2 LYS 84 9.878 28.765 19.171 678 HG3 LYS 84 HG3 LYS 84 9.051 28.201 17.706 679 HD2 LYS 84 HD2 LYS 84 10.456 26.173 17.659 680 HD3 LYS 84 HD3 LYS 84 11.324 26.691 19.100 681 HE2 LYS 84 HE2 LYS 84 8.303 26.238 19.020 682 HE3 LYS 84 HE3 LYS 84 9.452 24.949 19.396 683 HZ1 LYS 84 HZ1 LYS 84 8.587 26.070 21.424 684 HZ2 LYS 84 HZ2 LYS 84 10.208 26.159 21.320 685 HZ3 LYS 84 HZ3 LYS 84 9.300 27.469 20.986 686 H LYS 85 H LYS 85 12.203 29.656 14.844 687 HA LYS 85 HA LYS 85 14.598 31.210 15.587 688 HB2 LYS 85 HB2 LYS 85 13.991 29.438 13.182 689 HB3 LYS 85 HB3 LYS 85 15.530 30.257 13.466 690 HG2 LYS 85 HG2 LYS 85 15.758 29.071 15.652 691 HG3 LYS 85 HG3 LYS 85 14.280 28.161 15.295 692 HD2 LYS 85 HD2 LYS 85 15.334 27.254 13.240 693 HD3 LYS 85 HD3 LYS 85 16.822 28.137 13.590 694 HE2 LYS 85 HE2 LYS 85 15.579 26.039 15.439 695 HE3 LYS 85 HE3 LYS 85 16.821 25.683 14.236 696 HZ1 LYS 85 HZ1 LYS 85 17.179 27.538 16.523 697 HZ2 LYS 85 HZ2 LYS 85 17.805 26.041 16.398 698 HZ3 LYS 85 HZ3 LYS 85 18.309 27.211 15.392 699 H HIS 86 H HIS 86 11.853 31.814 13.529 700 HA HIS 86 HA HIS 86 13.204 33.834 11.901 701 HB2 HIS 86 HB2 HIS 86 11.322 32.446 11.068 702 HB3 HIS 86 HB3 HIS 86 10.241 33.210 12.227 703 HD2 HIS 86 HD2 HIS 86 12.585 35.718 10.553 704 HE1 HIS 86 HE1 HIS 86 8.965 35.847 8.309 705 HE2 HIS 86 HE2 HIS 86 11.182 37.022 8.759 706 H GLY 87 H GLY 87 10.815 33.949 14.542 707 HA2 GLY 87 HA2 GLY 87 10.353 35.485 16.169 708 HA3 GLY 87 HA3 GLY 87 11.938 36.178 15.861 709 H GLN 88 H GLN 88 11.065 36.925 13.047 710 HA GLN 88 HA GLN 88 10.501 39.602 13.534 711 HB2 GLN 88 HB2 GLN 88 11.639 38.596 11.554 712 HB3 GLN 88 HB3 GLN 88 10.074 37.993 10.995 713 HG2 GLN 88 HG2 GLN 88 9.271 40.341 10.735 714 HG3 GLN 88 HG3 GLN 88 10.838 40.923 11.309 715 HE21 GLN 88 HE21 GLN 88 11.244 41.187 7.712 716 HE22 GLN 88 HE22 GLN 88 10.610 42.072 9.094 717 H LEU 89 H LEU 89 8.178 37.085 12.586 718 HA LEU 89 HA LEU 89 5.913 38.705 13.423 719 HB2 LEU 89 HB2 LEU 89 4.782 38.792 11.234 720 HB3 LEU 89 HB3 LEU 89 6.293 39.662 11.239 721 HG LEU 89 HG LEU 89 7.278 37.423 10.160 722 HD11 LEU 89 HD11 LEU 89 5.185 36.062 10.274 723 HD12 LEU 89 HD12 LEU 89 4.346 37.279 9.295 724 HD13 LEU 89 HD13 LEU 89 5.689 36.353 8.616 725 HD21 LEU 89 HD21 LEU 89 6.795 38.358 7.935 726 HD22 LEU 89 HD22 LEU 89 5.519 39.383 8.632 727 HD23 LEU 89 HD23 LEU 89 7.221 39.636 9.079 728 H LYS 90 H LYS 90 4.001 37.584 13.663 729 HA LYS 90 HA LYS 90 4.043 34.611 13.695 730 HB2 LYS 90 HB2 LYS 90 2.978 36.073 15.494 731 HB3 LYS 90 HB3 LYS 90 1.824 36.636 14.283 732 HG2 LYS 90 HG2 LYS 90 0.655 35.061 15.565 733 HG3 LYS 90 HG3 LYS 90 0.995 34.268 14.049 734 HD2 LYS 90 HD2 LYS 90 1.478 32.594 15.529 735 HD3 LYS 90 HD3 LYS 90 3.103 33.290 15.331 736 HE2 LYS 90 HE2 LYS 90 2.707 34.626 17.427 737 HE3 LYS 90 HE3 LYS 90 1.125 33.873 17.578 738 HZ1 LYS 90 HZ1 LYS 90 2.350 31.671 17.662 739 HZ2 LYS 90 HZ2 LYS 90 3.742 32.499 17.829 740 HZ3 LYS 90 HZ3 LYS 90 2.580 32.664 18.975 741 H LEU 91 H LEU 91 2.987 37.069 11.447 742 HA LEU 91 HA LEU 91 0.741 35.896 10.415 743 HB2 LEU 91 HB2 LEU 91 2.302 38.180 9.836 744 HB3 LEU 91 HB3 LEU 91 2.015 37.382 8.297 745 HG LEU 91 HG LEU 91 -0.156 38.130 10.314 746 HD11 LEU 91 HD11 LEU 91 -0.711 39.950 8.762 747 HD12 LEU 91 HD12 LEU 91 0.940 40.124 9.375 748 HD13 LEU 91 HD13 LEU 91 0.670 39.507 7.724 749 HD21 LEU 91 HD21 LEU 91 -0.368 37.226 7.409 750 HD22 LEU 91 HD22 LEU 91 -0.870 36.283 8.823 751 HD23 LEU 91 HD23 LEU 91 -1.717 37.780 8.432 752 H SER 92 H SER 92 3.612 34.430 10.074 753 HA SER 92 HA SER 92 3.062 32.983 7.526 754 HB2 SER 92 HB2 SER 92 5.380 33.703 8.066 755 HB3 SER 92 HB3 SER 92 5.292 32.827 9.600 756 HG SER 92 HG SER 92 5.340 31.777 6.959 757 H ILE 93 H ILE 93 3.254 32.386 11.057 758 HA ILE 93 HA ILE 93 2.186 29.634 10.697 759 HB ILE 93 HB ILE 93 4.167 30.307 12.204 760 HG12 ILE 93 HG12 ILE 93 1.921 28.500 13.256 761 HG13 ILE 93 HG13 ILE 93 3.085 28.056 11.996 762 HG21 ILE 93 HG21 ILE 93 1.930 30.844 14.160 763 HG22 ILE 93 HG22 ILE 93 3.671 30.880 14.469 764 HG23 ILE 93 HG23 ILE 93 2.954 32.101 13.402 765 HD11 ILE 93 HD11 ILE 93 3.948 27.132 13.984 766 HD12 ILE 93 HD12 ILE 93 4.914 28.613 13.692 767 HD13 ILE 93 HD13 ILE 93 3.650 28.608 14.912 768 H GLN 94 H GLN 94 1.069 32.797 11.296 769 HA GLN 94 HA GLN 94 -1.289 32.469 12.747 770 HB2 GLN 94 HB2 GLN 94 -0.243 34.587 12.048 771 HB3 GLN 94 HB3 GLN 94 -0.634 34.218 10.365 772 HG2 GLN 94 HG2 GLN 94 -2.100 35.882 11.116 773 HG3 GLN 94 HG3 GLN 94 -3.050 34.415 10.904 774 HE21 GLN 94 HE21 GLN 94 -4.263 35.827 14.073 775 HE22 GLN 94 HE22 GLN 94 -4.458 36.056 12.342 776 H TYR 95 H TYR 95 -0.688 31.600 9.355 777 HA TYR 95 HA TYR 95 -3.372 30.903 8.636 778 HB2 TYR 95 HB2 TYR 95 -0.605 30.031 7.700 779 HB3 TYR 95 HB3 TYR 95 -2.084 29.403 6.975 780 HD1 TYR 95 HD1 TYR 95 0.214 32.234 7.122 781 HD2 TYR 95 HD2 TYR 95 -3.712 30.968 5.853 782 HE1 TYR 95 HE1 TYR 95 0.061 34.219 5.639 783 HE2 TYR 95 HE2 TYR 95 -3.860 32.964 4.357 784 HH TYR 95 HH TYR 95 -1.204 35.350 4.135 785 H MET 96 H MET 96 -1.110 29.284 10.764 786 HA MET 96 HA MET 96 -2.640 26.780 10.826 787 HB2 MET 96 HB2 MET 96 -0.042 27.228 11.321 788 HB3 MET 96 HB3 MET 96 -0.669 27.672 12.917 789 HG2 MET 96 HG2 MET 96 0.026 25.294 12.811 790 HG3 MET 96 HG3 MET 96 -1.692 25.454 13.155 791 HE1 MET 96 HE1 MET 96 0.083 25.759 9.512 792 HE2 MET 96 HE2 MET 96 1.028 24.575 10.450 793 HE3 MET 96 HE3 MET 96 0.045 24.045 9.065 794 H ILE 97 H ILE 97 -2.633 29.858 12.504 795 HA ILE 97 HA ILE 97 -4.110 29.050 14.781 796 HB ILE 97 HB ILE 97 -3.183 31.491 14.016 797 HG12 ILE 97 HG12 ILE 97 -5.387 31.155 16.093 798 HG13 ILE 97 HG13 ILE 97 -3.795 30.456 16.320 799 HG21 ILE 97 HG21 ILE 97 -4.990 33.087 13.807 800 HG22 ILE 97 HG22 ILE 97 -5.244 31.873 12.549 801 HG23 ILE 97 HG23 ILE 97 -6.212 31.822 14.023 802 HD11 ILE 97 HD11 ILE 97 -3.890 32.534 17.494 803 HD12 ILE 97 HD12 ILE 97 -2.745 32.689 16.139 804 HD13 ILE 97 HD13 ILE 97 -4.369 33.417 16.033 805 H GLN 98 H GLN 98 -5.177 29.167 11.523 806 HA GLN 98 HA GLN 98 -7.969 29.135 11.871 807 HB2 GLN 98 HB2 GLN 98 -6.597 29.237 9.756 808 HB3 GLN 98 HB3 GLN 98 -6.305 27.511 9.885 809 HG2 GLN 98 HG2 GLN 98 -9.138 28.631 9.906 810 HG3 GLN 98 HG3 GLN 98 -8.257 28.480 8.392 811 HE21 GLN 98 HE21 GLN 98 -10.357 25.408 8.889 812 HE22 GLN 98 HE22 GLN 98 -10.727 27.123 8.934 813 H LYS 99 H LYS 99 -5.612 26.624 12.665 814 HA LYS 99 HA LYS 99 -7.565 24.522 13.283 815 HB2 LYS 99 HB2 LYS 99 -4.617 24.736 14.097 816 HB3 LYS 99 HB3 LYS 99 -5.597 23.298 14.054 817 HG2 LYS 99 HG2 LYS 99 -4.550 24.869 11.681 818 HG3 LYS 99 HG3 LYS 99 -4.139 23.231 12.167 819 HD2 LYS 99 HD2 LYS 99 -6.364 22.422 11.522 820 HD3 LYS 99 HD3 LYS 99 -6.923 24.076 11.221 821 HE2 LYS 99 HE2 LYS 99 -5.043 24.273 9.490 822 HE3 LYS 99 HE3 LYS 99 -4.870 22.519 9.631 823 HZ1 LYS 99 HZ1 LYS 99 -6.381 23.129 7.827 824 HZ2 LYS 99 HZ2 LYS 99 -7.238 22.340 8.972 825 HZ3 LYS 99 HZ3 LYS 99 -7.333 23.974 8.841 826 H VAL 100 H VAL 100 -5.621 26.887 15.175 827 HA VAL 100 HA VAL 100 -6.773 26.138 17.671 828 HB VAL 100 HB VAL 100 -5.256 28.448 16.547 829 HG11 VAL 100 HG11 VAL 100 -6.762 28.962 19.127 830 HG12 VAL 100 HG12 VAL 100 -5.417 29.924 18.474 831 HG13 VAL 100 HG13 VAL 100 -6.935 29.846 17.596 832 HG21 VAL 100 HG21 VAL 100 -4.215 26.537 17.699 833 HG22 VAL 100 HG22 VAL 100 -3.855 28.064 18.528 834 HG23 VAL 100 HG23 VAL 100 -5.070 26.960 19.191 835 H MET 101 H MET 101 -7.847 28.633 15.381 836 HA MET 101 HA MET 101 -10.273 29.327 16.642 837 HB2 MET 101 HB2 MET 101 -9.417 29.354 13.726 838 HB3 MET 101 HB3 MET 101 -10.912 30.081 14.320 839 HG2 MET 101 HG2 MET 101 -9.657 31.610 15.760 840 HG3 MET 101 HG3 MET 101 -8.137 30.879 15.255 841 HE1 MET 101 HE1 MET 101 -10.819 33.566 12.573 842 HE2 MET 101 HE2 MET 101 -11.338 31.924 12.993 843 HE3 MET 101 HE3 MET 101 -11.160 33.155 14.264 844 H GLU 102 H GLU 102 -9.495 26.302 15.418 845 HA GLU 102 HA GLU 102 -12.277 25.717 14.739 846 HB2 GLU 102 HB2 GLU 102 -10.584 24.951 13.093 847 HB3 GLU 102 HB3 GLU 102 -9.870 23.929 14.332 848 HG2 GLU 102 HG2 GLU 102 -11.140 22.508 12.991 849 HG3 GLU 102 HG3 GLU 102 -12.068 22.666 14.471 850 H TYR 103 H TYR 103 -10.262 23.245 16.378 851 HA TYR 103 HA TYR 103 -12.767 22.835 17.885 852 HB2 TYR 103 HB2 TYR 103 -11.730 20.911 16.748 853 HB3 TYR 103 HB3 TYR 103 -10.344 21.039 17.831 854 HD1 TYR 103 HD1 TYR 103 -13.966 20.244 17.638 855 HD2 TYR 103 HD2 TYR 103 -10.468 20.336 20.164 856 HE1 TYR 103 HE1 TYR 103 -15.179 18.940 19.387 857 HE2 TYR 103 HE2 TYR 103 -11.683 19.065 21.912 858 HH TYR 103 HH TYR 103 -13.642 18.073 22.497 859 H LEU 104 H LEU 104 -9.451 23.683 18.455 860 HA LEU 104 HA LEU 104 -9.330 23.618 21.286 861 HB2 LEU 104 HB2 LEU 104 -7.459 23.679 19.770 862 HB3 LEU 104 HB3 LEU 104 -7.969 25.186 19.082 863 HG LEU 104 HG LEU 104 -5.948 25.302 20.485 864 HD11 LEU 104 HD11 LEU 104 -7.646 27.264 20.169 865 HD12 LEU 104 HD12 LEU 104 -8.139 26.951 21.841 866 HD13 LEU 104 HD13 LEU 104 -6.460 27.374 21.486 867 HD21 LEU 104 HD21 LEU 104 -7.821 24.750 22.816 868 HD22 LEU 104 HD22 LEU 104 -6.518 23.703 22.169 869 HD23 LEU 104 HD23 LEU 104 -6.122 25.257 22.916 870 H LYS 105 H LYS 105 -10.338 26.342 19.094 871 HA LYS 105 HA LYS 105 -11.487 27.888 21.242 872 HB2 LYS 105 HB2 LYS 105 -11.702 27.989 18.215 873 HB3 LYS 105 HB3 LYS 105 -12.711 28.980 19.284 874 HG2 LYS 105 HG2 LYS 105 -10.406 29.599 20.471 875 HG3 LYS 105 HG3 LYS 105 -9.720 29.161 18.901 876 HD2 LYS 105 HD2 LYS 105 -11.287 30.748 17.805 877 HD3 LYS 105 HD3 LYS 105 -11.990 31.114 19.396 878 HE2 LYS 105 HE2 LYS 105 -9.732 31.904 20.179 879 HE3 LYS 105 HE3 LYS 105 -9.103 31.678 18.541 880 HZ1 LYS 105 HZ1 LYS 105 -9.772 33.975 18.930 881 HZ2 LYS 105 HZ2 LYS 105 -10.751 33.354 17.791 882 HZ3 LYS 105 HZ3 LYS 105 -11.289 33.539 19.316 883 H SER 106 H SER 106 -13.095 25.994 18.713 884 HA SER 106 HA SER 106 -15.719 26.363 19.629 885 HB2 SER 106 HB2 SER 106 -14.772 23.929 18.090 886 HB3 SER 106 HB3 SER 106 -16.430 24.536 18.213 887 HG SER 106 HG SER 106 -14.184 25.656 16.955 888 H SER 107 H SER 107 -13.440 24.421 21.249 889 HA SER 107 HA SER 107 -15.007 22.531 22.633 890 HB2 SER 107 HB2 SER 107 -12.741 24.340 23.589 891 HB3 SER 107 HB3 SER 107 -13.402 23.010 24.539 892 HG SER 107 HG SER 107 -12.268 22.762 21.918 893 H LYS 108 H LYS 108 -15.072 26.005 22.836 894 HA LYS 108 HA LYS 108 -16.262 27.570 23.847 895 HB2 LYS 108 HB2 LYS 108 -18.610 27.361 23.697 896 HB3 LYS 108 HB3 LYS 108 -17.856 26.546 22.333 897 HG2 LYS 108 HG2 LYS 108 -18.322 24.355 23.309 898 HG3 LYS 108 HG3 LYS 108 -18.920 25.104 24.805 899 HD2 LYS 108 HD2 LYS 108 -20.764 26.170 23.511 900 HD3 LYS 108 HD3 LYS 108 -20.143 25.414 22.026 901 HE2 LYS 108 HE2 LYS 108 -20.481 23.166 23.037 902 HE3 LYS 108 HE3 LYS 108 -21.084 23.919 24.520 903 HZ1 LYS 108 HZ1 LYS 108 -22.899 23.225 23.086 904 HZ2 LYS 108 HZ2 LYS 108 -22.920 24.846 23.225 905 HZ3 LYS 108 HZ3 LYS 108 -22.370 24.149 21.857 906 H SER 109 H SER 109 -15.895 24.930 25.917 907 HA SER 109 HA SER 109 -16.408 26.677 28.228 908 HB2 SER 109 HB2 SER 109 -17.069 23.718 28.060 909 HB3 SER 109 HB3 SER 109 -17.301 24.755 29.482 910 HG SER 109 HG SER 109 -18.820 25.947 28.325 911 H LEU 110 H LEU 110 -13.929 26.306 26.874 912 HA LEU 110 HA LEU 110 -12.089 24.664 28.217 913 HB2 LEU 110 HB2 LEU 110 -11.833 27.490 27.055 914 HB3 LEU 110 HB3 LEU 110 -10.486 26.670 27.802 915 HG LEU 110 HG LEU 110 -11.914 25.760 25.278 916 HD11 LEU 110 HD11 LEU 110 -10.375 27.635 24.982 917 HD12 LEU 110 HD12 LEU 110 -9.115 26.808 25.929 918 HD13 LEU 110 HD13 LEU 110 -9.608 26.170 24.351 919 HD21 LEU 110 HD21 LEU 110 -11.315 23.720 26.365 920 HD22 LEU 110 HD22 LEU 110 -9.979 24.048 25.265 921 HD23 LEU 110 HD23 LEU 110 -9.810 24.404 27.003 922 H ASP 111 H ASP 111 -10.727 24.905 29.851 923 HA ASP 111 HA ASP 111 -11.494 26.504 32.165 924 HB2 ASP 111 HB2 ASP 111 -9.032 24.791 31.651 925 HB3 ASP 111 HB3 ASP 111 -9.386 25.635 33.159 926 H LEU 112 H LEU 112 -10.451 28.308 32.887 927 HA LEU 112 HA LEU 112 -9.382 30.179 31.065 928 HB2 LEU 112 HB2 LEU 112 -9.222 29.936 34.094 929 HB3 LEU 112 HB3 LEU 112 -8.308 31.169 33.252 930 HG LEU 112 HG LEU 112 -10.377 32.103 32.266 931 HD11 LEU 112 HD11 LEU 112 -12.583 31.463 33.221 932 HD12 LEU 112 HD12 LEU 112 -11.874 30.168 32.256 933 HD13 LEU 112 HD13 LEU 112 -11.819 30.082 34.035 934 HD21 LEU 112 HD21 LEU 112 -11.223 33.111 34.340 935 HD22 LEU 112 HD22 LEU 112 -10.447 31.830 35.301 936 HD23 LEU 112 HD23 LEU 112 -9.460 32.986 34.378 937 H ASN 113 H ASN 113 -7.581 28.071 33.299 938 HA ASN 113 HA ASN 113 -5.065 29.098 32.708 939 HB2 ASN 113 HB2 ASN 113 -5.717 26.203 33.440 940 HB3 ASN 113 HB3 ASN 113 -4.209 27.047 33.783 941 HD21 ASN 113 HD21 ASN 113 -5.567 28.742 36.635 942 HD22 ASN 113 HD22 ASN 113 -4.245 28.729 35.472 943 H THR 114 H THR 114 -6.962 26.755 30.878 944 HA THR 114 HA THR 114 -4.825 25.922 29.067 945 HB THR 114 HB THR 114 -7.828 25.515 29.228 946 HG1 THR 114 HG1 THR 114 -6.913 23.321 29.284 947 HG21 THR 114 HG21 THR 114 -7.385 25.648 26.873 948 HG22 THR 114 HG22 THR 114 -5.975 24.572 27.017 949 HG23 THR 114 HG23 THR 114 -7.631 23.953 27.327 950 H ARG 115 H ARG 115 -7.790 27.967 28.708 951 HA ARG 115 HA ARG 115 -7.158 28.955 26.110 952 HB2 ARG 115 HB2 ARG 115 -9.357 29.172 27.011 953 HB3 ARG 115 HB3 ARG 115 -8.790 30.155 28.374 954 HG2 ARG 115 HG2 ARG 115 -8.316 32.052 26.994 955 HG3 ARG 115 HG3 ARG 115 -8.341 31.098 25.501 956 HD2 ARG 115 HD2 ARG 115 -10.778 31.171 27.255 957 HD3 ARG 115 HD3 ARG 115 -10.429 32.555 26.192 958 HE ARG 115 HE ARG 115 -10.216 30.500 24.415 959 HH11 ARG 115 HH11 ARG 115 -12.810 31.273 26.661 960 HH12 ARG 115 HH12 ARG 115 -14.017 30.547 25.631 961 HH21 ARG 115 HH21 ARG 115 -11.822 29.603 23.189 962 HH22 ARG 115 HH22 ARG 115 -13.472 29.644 23.743 963 H ILE 116 H ILE 116 -6.283 30.316 29.242 964 HA ILE 116 HA ILE 116 -4.998 32.655 28.514 965 HB ILE 116 HB ILE 116 -4.631 30.618 30.658 966 HG12 ILE 116 HG12 ILE 116 -5.067 33.657 30.645 967 HG13 ILE 116 HG13 ILE 116 -6.370 32.488 30.556 968 HG21 ILE 116 HG21 ILE 116 -2.602 32.831 30.329 969 HG22 ILE 116 HG22 ILE 116 -2.823 31.835 31.791 970 HG23 ILE 116 HG23 ILE 116 -2.330 31.061 30.286 971 HD11 ILE 116 HD11 ILE 116 -4.501 32.887 32.932 972 HD12 ILE 116 HD12 ILE 116 -6.232 33.252 32.826 973 HD13 ILE 116 HD13 ILE 116 -5.688 31.567 32.792 974 H SER 117 H SER 117 -3.742 29.411 28.142 975 HA SER 117 HA SER 117 -1.036 30.177 27.535 976 HB2 SER 117 HB2 SER 117 -0.640 27.947 26.869 977 HB3 SER 117 HB3 SER 117 -1.771 27.864 28.219 978 HG SER 117 HG SER 117 -3.451 27.490 26.760 979 H VAL 118 H VAL 118 -3.927 29.890 25.547 980 HA VAL 118 HA VAL 118 -2.409 30.269 23.040 981 HB VAL 118 HB VAL 118 -3.925 28.482 23.007 982 HG11 VAL 118 HG11 VAL 118 -6.171 30.377 23.796 983 HG12 VAL 118 HG12 VAL 118 -6.380 28.709 23.260 984 HG13 VAL 118 HG13 VAL 118 -5.477 29.028 24.744 985 HG21 VAL 118 HG21 VAL 118 -5.218 30.742 21.405 986 HG22 VAL 118 HG22 VAL 118 -3.655 30.034 20.982 987 HG23 VAL 118 HG23 VAL 118 -5.104 29.023 20.968 988 H ILE 119 H ILE 119 -4.868 32.053 25.020 989 HA ILE 119 HA ILE 119 -4.856 34.255 23.243 990 HB ILE 119 HB ILE 119 -6.400 33.481 25.253 991 HG12 ILE 119 HG12 ILE 119 -7.280 35.726 25.609 992 HG13 ILE 119 HG13 ILE 119 -5.855 36.441 24.827 993 HG21 ILE 119 HG21 ILE 119 -6.090 34.208 27.360 994 HG22 ILE 119 HG22 ILE 119 -4.478 33.686 26.840 995 HG23 ILE 119 HG23 ILE 119 -4.830 35.417 26.914 996 HD11 ILE 119 HD11 ILE 119 -6.461 35.527 22.697 997 HD12 ILE 119 HD12 ILE 119 -7.602 34.380 23.436 998 HD13 ILE 119 HD13 ILE 119 -7.981 36.128 23.381 999 H GLU 120 H GLU 120 -2.444 33.171 25.549 1000 HA GLU 120 HA GLU 120 -0.874 35.596 25.173 1001 HB2 GLU 120 HB2 GLU 120 -0.351 33.062 26.726 1002 HB3 GLU 120 HB3 GLU 120 0.879 34.316 26.441 1003 HG2 GLU 120 HG2 GLU 120 -0.521 36.034 27.430 1004 HG3 GLU 120 HG3 GLU 120 -1.813 34.872 27.738 1005 H THR 121 H THR 121 -0.500 32.158 23.949 1006 HA THR 121 HA THR 121 1.979 32.441 22.753 1007 HB THR 121 HB THR 121 0.504 30.375 22.745 1008 HG1 THR 121 HG1 THR 121 1.519 29.557 21.020 1009 HG21 THR 121 HG21 THR 121 -1.017 29.937 20.972 1010 HG22 THR 121 HG22 THR 121 -1.386 31.628 21.376 1011 HG23 THR 121 HG23 THR 121 -0.398 31.264 19.978 1012 H ILE 122 H ILE 122 -1.021 33.603 21.463 1013 HA ILE 122 HA ILE 122 -0.087 34.547 18.902 1014 HB ILE 122 HB ILE 122 -2.320 33.708 19.459 1015 HG12 ILE 122 HG12 ILE 122 -2.066 35.010 17.446 1016 HG13 ILE 122 HG13 ILE 122 -3.666 35.099 18.167 1017 HG21 ILE 122 HG21 ILE 122 -3.966 34.895 20.648 1018 HG22 ILE 122 HG22 ILE 122 -2.560 34.625 21.670 1019 HG23 ILE 122 HG23 ILE 122 -2.867 36.247 20.996 1020 HD11 ILE 122 HD11 ILE 122 -3.060 37.267 17.275 1021 HD12 ILE 122 HD12 ILE 122 -3.122 37.404 19.040 1022 HD13 ILE 122 HD13 ILE 122 -1.557 37.309 18.201 1023 H ARG 123 H ARG 123 -0.799 36.138 22.007 1024 HA ARG 123 HA ARG 123 -0.094 38.821 21.233 1025 HB2 ARG 123 HB2 ARG 123 -1.629 38.205 23.076 1026 HB3 ARG 123 HB3 ARG 123 -0.288 37.467 23.964 1027 HG2 ARG 123 HG2 ARG 123 0.847 39.678 24.057 1028 HG3 ARG 123 HG3 ARG 123 -0.520 40.406 23.185 1029 HD2 ARG 123 HD2 ARG 123 -2.020 39.747 25.046 1030 HD3 ARG 123 HD3 ARG 123 -0.642 39.015 25.896 1031 HE ARG 123 HE ARG 123 0.005 41.736 25.193 1032 HH11 ARG 123 HH11 ARG 123 -2.052 40.130 27.559 1033 HH12 ARG 123 HH12 ARG 123 -1.957 41.505 28.634 1034 HH21 ARG 123 HH21 ARG 123 0.057 43.344 26.534 1035 HH22 ARG 123 HH22 ARG 123 -0.796 43.300 28.066 1036 H VAL 124 H VAL 124 1.721 36.388 23.119 1037 HA VAL 124 HA VAL 124 3.842 38.031 23.866 1038 HB VAL 124 HB VAL 124 3.180 35.838 24.840 1039 HG11 VAL 124 HG11 VAL 124 3.997 33.752 23.991 1040 HG12 VAL 124 HG12 VAL 124 3.105 34.523 22.683 1041 HG13 VAL 124 HG13 VAL 124 4.880 34.537 22.665 1042 HG21 VAL 124 HG21 VAL 124 5.390 35.165 25.551 1043 HG22 VAL 124 HG22 VAL 124 6.145 36.045 24.199 1044 HG23 VAL 124 HG23 VAL 124 5.289 36.933 25.480 1045 H VAL 125 H VAL 125 3.519 36.244 20.841 1046 HA VAL 125 HA VAL 125 6.152 37.116 19.893 1047 HB VAL 125 HB VAL 125 3.888 35.765 18.424 1048 HG11 VAL 125 HG11 VAL 125 5.605 35.287 16.663 1049 HG12 VAL 125 HG12 VAL 125 5.280 37.016 16.827 1050 HG13 VAL 125 HG13 VAL 125 6.751 36.320 17.537 1051 HG21 VAL 125 HG21 VAL 125 4.866 34.268 20.107 1052 HG22 VAL 125 HG22 VAL 125 5.419 33.750 18.506 1053 HG23 VAL 125 HG23 VAL 125 6.502 34.676 19.560 1054 H THR 126 H THR 126 2.698 37.983 19.166 1055 HA THR 126 HA THR 126 3.486 39.860 17.116 1056 HB THR 126 HB THR 126 1.119 40.533 17.061 1057 HG1 THR 126 HG1 THR 126 0.622 38.527 18.965 1058 HG21 THR 126 HG21 THR 126 1.599 37.515 17.085 1059 HG22 THR 126 HG22 THR 126 0.165 38.326 16.421 1060 HG23 THR 126 HG23 THR 126 1.760 38.640 15.715 1061 H GLU 127 H GLU 127 3.392 40.313 20.524 1062 HA GLU 127 HA GLU 127 2.916 43.172 20.612 1063 HB2 GLU 127 HB2 GLU 127 4.390 41.219 22.411 1064 HB3 GLU 127 HB3 GLU 127 4.309 42.934 22.798 1065 HG2 GLU 127 HG2 GLU 127 1.745 41.397 22.279 1066 HG3 GLU 127 HG3 GLU 127 2.595 41.237 23.814 1067 H ASN 128 H ASN 128 5.647 41.306 19.554 1068 HA ASN 128 HA ASN 128 7.685 43.341 19.893 1069 HB2 ASN 128 HB2 ASN 128 7.525 40.782 18.255 1070 HB3 ASN 128 HB3 ASN 128 8.996 41.741 18.450 1071 HD21 ASN 128 HD21 ASN 128 7.899 39.185 21.374 1072 HD22 ASN 128 HD22 ASN 128 7.041 39.308 19.839 1073 H LYS 129 H LYS 129 5.102 43.309 17.704 1074 HA LYS 129 HA LYS 129 6.502 44.211 15.328 1075 HB2 LYS 129 HB2 LYS 129 3.560 44.196 16.066 1076 HB3 LYS 129 HB3 LYS 129 4.154 44.650 14.481 1077 HG2 LYS 129 HG2 LYS 129 4.614 41.939 15.782 1078 HG3 LYS 129 HG3 LYS 129 3.331 42.291 14.635 1079 HD2 LYS 129 HD2 LYS 129 6.325 42.255 14.118 1080 HD3 LYS 129 HD3 LYS 129 5.141 41.099 13.554 1081 HE2 LYS 129 HE2 LYS 129 5.444 43.994 12.644 1082 HE3 LYS 129 HE3 LYS 129 5.871 42.541 11.736 1083 HZ1 LYS 129 HZ1 LYS 129 3.104 43.328 12.483 1084 HZ2 LYS 129 HZ2 LYS 129 3.756 43.411 11.003 1085 HZ3 LYS 129 HZ3 LYS 129 3.495 41.960 11.676 1086 H ILE 130 H ILE 130 6.096 45.908 18.081 1087 HA ILE 130 HA ILE 130 5.308 48.492 17.199 1088 HB ILE 130 HB ILE 130 6.395 49.238 19.323 1089 HG12 ILE 130 HG12 ILE 130 7.040 46.278 19.730 1090 HG13 ILE 130 HG13 ILE 130 8.226 47.527 19.380 1091 HG21 ILE 130 HG21 ILE 130 4.712 48.239 20.748 1092 HG22 ILE 130 HG22 ILE 130 4.020 48.465 19.142 1093 HG23 ILE 130 HG23 ILE 130 4.540 46.845 19.666 1094 HD11 ILE 130 HD11 ILE 130 7.616 48.713 21.487 1095 HD12 ILE 130 HD12 ILE 130 6.507 47.378 21.886 1096 HD13 ILE 130 HD13 ILE 130 8.242 47.071 21.749 1097 H PHE 131 H PHE 131 6.477 50.300 16.775 1098 HA PHE 131 HA PHE 131 9.399 50.136 16.358 1099 HB2 PHE 131 HB2 PHE 131 7.417 51.336 14.393 1100 HB3 PHE 131 HB3 PHE 131 9.155 51.500 14.281 1101 HD1 PHE 131 HD1 PHE 131 6.344 49.461 13.355 1102 HD2 PHE 131 HD2 PHE 131 10.595 49.362 14.069 1103 HE1 PHE 131 HE1 PHE 131 6.526 47.404 11.987 1104 HE2 PHE 131 HE2 PHE 131 10.772 47.288 12.710 1105 HZ PHE 131 HZ PHE 131 8.735 46.305 11.660 1106 H VAL 132 H VAL 132 6.706 52.118 17.427 1107 HA VAL 132 HA VAL 132 8.101 54.622 17.436 1108 HB VAL 132 HB VAL 132 5.625 53.697 18.906 1109 HG11 VAL 132 HG11 VAL 132 5.146 56.119 19.274 1110 HG12 VAL 132 HG12 VAL 132 6.532 55.555 20.199 1111 HG13 VAL 132 HG13 VAL 132 6.794 56.505 18.715 1112 HG21 VAL 132 HG21 VAL 132 6.010 55.497 16.467 1113 HG22 VAL 132 HG22 VAL 132 5.399 53.827 16.441 1114 HG23 VAL 132 HG23 VAL 132 4.457 55.094 17.225 1115 H GLU 133 H GLU 133 7.203 52.604 20.215 1116 HA GLU 133 HA GLU 133 8.933 53.960 22.008 1117 HB2 GLU 133 HB2 GLU 133 6.944 51.793 22.129 1118 HB3 GLU 133 HB3 GLU 133 8.302 51.512 23.227 1119 HG2 GLU 133 HG2 GLU 133 8.069 53.740 24.191 1120 HG3 GLU 133 HG3 GLU 133 6.730 54.106 23.083 1121 H VAL 134 H VAL 134 10.543 53.115 23.295 1122 HA VAL 134 HA VAL 134 12.755 52.005 21.883 1123 HB VAL 134 HB VAL 134 13.984 52.401 24.027 1124 HG11 VAL 134 HG11 VAL 134 12.156 54.725 23.301 1125 HG12 VAL 134 HG12 VAL 134 13.727 54.808 24.110 1126 HG13 VAL 134 HG13 VAL 134 13.629 54.263 22.424 1127 HG21 VAL 134 HG21 VAL 134 12.835 53.351 25.960 1128 HG22 VAL 134 HG22 VAL 134 11.261 53.264 25.144 1129 HG23 VAL 134 HG23 VAL 134 12.119 51.775 25.593 1130 H GLU 135 H GLU 135 10.636 50.120 22.217 1131 HA GLU 135 HA GLU 135 10.053 48.025 22.886 1132 HB2 GLU 135 HB2 GLU 135 13.004 47.518 22.370 1133 HB3 GLU 135 HB3 GLU 135 11.713 46.315 22.334 1134 HG2 GLU 135 HG2 GLU 135 10.623 47.527 20.456 1135 HG3 GLU 135 HG3 GLU 135 11.938 48.715 20.463 1136 H ARG 136 H ARG 136 10.538 49.605 25.173 1137 HA ARG 136 HA ARG 136 10.810 47.476 27.226 1138 HB2 ARG 136 HB2 ARG 136 12.314 50.141 27.320 1139 HB3 ARG 136 HB3 ARG 136 12.127 49.039 28.682 1140 HG2 ARG 136 HG2 ARG 136 13.333 47.260 27.421 1141 HG3 ARG 136 HG3 ARG 136 13.597 48.404 26.092 1142 HD2 ARG 136 HD2 ARG 136 14.801 49.924 27.629 1143 HD3 ARG 136 HD3 ARG 136 14.553 48.777 28.960 1144 HE ARG 136 HE ARG 136 15.825 47.377 26.844 1145 HH11 ARG 136 HH11 ARG 136 16.680 49.929 29.096 1146 HH12 ARG 136 HH12 ARG 136 18.376 49.505 29.032 1147 HH21 ARG 136 HH21 ARG 136 17.974 46.924 26.831 1148 HH22 ARG 136 HH22 ARG 136 19.079 47.873 27.791
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