NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18205 | 2dj4 | 10323 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -6.962 27.581 -11.897 2 HA2 GLY 1 1HA GLY 1 -4.874 28.499 -12.321 3 HA3 GLY 1 2HA GLY 1 -5.472 30.045 -11.736 4 H SER 2 H SER 2 -2.937 29.207 -11.103 5 HA SER 2 HA SER 2 -3.019 28.053 -8.433 6 HB2 SER 2 1HB SER 2 -1.256 27.449 -10.155 7 HB3 SER 2 2HB SER 2 -0.587 29.063 -9.916 8 HG SER 2 HG SER 2 0.488 28.023 -8.409 9 H SER 3 H SER 3 -3.399 29.315 -6.748 10 HA SER 3 HA SER 3 -2.029 31.882 -6.539 11 HB2 SER 3 1HB SER 3 -4.029 33.111 -5.960 12 HB3 SER 3 2HB SER 3 -4.286 32.337 -7.524 13 HG SER 3 HG SER 3 -6.025 32.149 -5.900 14 H GLY 4 H GLY 4 -1.372 32.341 -4.507 15 HA2 GLY 4 1HA GLY 4 -1.908 32.256 -2.094 16 HA3 GLY 4 2HA GLY 4 -2.373 30.581 -2.353 17 H SER 5 H SER 5 -0.372 31.753 -0.533 18 HA SER 5 HA SER 5 1.974 30.258 -1.504 19 HB2 SER 5 1HB SER 5 2.557 32.595 -1.557 20 HB3 SER 5 2HB SER 5 1.918 32.843 0.067 21 HG SER 5 HG SER 5 4.258 31.496 -0.733 22 H SER 6 H SER 6 1.617 28.378 -0.409 23 HA SER 6 HA SER 6 2.005 28.480 2.474 24 HB2 SER 6 1HB SER 6 -0.415 28.489 2.318 25 HB3 SER 6 2HB SER 6 -0.383 27.133 1.192 26 HG SER 6 HG SER 6 0.933 26.655 3.550 27 H GLY 7 H GLY 7 2.934 26.622 3.332 28 HA2 GLY 7 1HA GLY 7 3.564 24.481 1.403 29 HA3 GLY 7 2HA GLY 7 4.828 25.209 2.381 30 H VAL 8 H VAL 8 1.525 24.108 3.134 31 HA VAL 8 HA VAL 8 2.569 22.736 5.489 32 HB VAL 8 HB VAL 8 0.586 24.178 5.744 33 HG11 VAL 8 1HG1 VAL 8 -1.185 24.094 4.396 34 HG12 VAL 8 2HG1 VAL 8 -0.234 23.026 3.362 35 HG13 VAL 8 3HG1 VAL 8 -1.326 22.345 4.568 36 HG21 VAL 8 1HG2 VAL 8 1.057 21.878 6.977 37 HG22 VAL 8 2HG2 VAL 8 -0.391 22.831 7.303 38 HG23 VAL 8 3HG2 VAL 8 -0.475 21.446 6.216 39 H VAL 9 H VAL 9 1.984 20.548 5.978 40 HA VAL 9 HA VAL 9 1.839 18.886 3.571 41 HB VAL 9 HB VAL 9 2.686 18.262 6.396 42 HG11 VAL 9 1HG1 VAL 9 1.665 16.269 5.827 43 HG12 VAL 9 2HG1 VAL 9 2.054 16.438 4.113 44 HG13 VAL 9 3HG1 VAL 9 3.316 16.007 5.267 45 HG21 VAL 9 1HG2 VAL 9 4.098 19.355 4.329 46 HG22 VAL 9 2HG2 VAL 9 4.801 18.455 5.674 47 HG23 VAL 9 3HG2 VAL 9 4.455 17.637 4.151 48 H ASP 10 H ASP 10 0.050 17.823 3.049 49 HA ASP 10 HA ASP 10 -2.004 17.433 5.129 50 HB2 ASP 10 1HB ASP 10 -2.377 17.954 2.173 51 HB3 ASP 10 2HB ASP 10 -3.678 17.559 3.292 52 HA PRO 11 HA PRO 11 -0.836 13.192 3.964 53 HB2 PRO 11 1HB PRO 11 -1.680 12.101 6.303 54 HB3 PRO 11 2HB PRO 11 -0.100 12.872 6.117 55 HG2 PRO 11 1HG PRO 11 -2.624 13.981 7.284 56 HG3 PRO 11 2HG PRO 11 -0.959 14.125 7.877 57 HD2 PRO 11 1HD PRO 11 -2.194 16.106 6.506 58 HD3 PRO 11 2HD PRO 11 -0.446 15.817 6.398 59 H SER 12 H SER 12 -3.720 14.799 4.302 60 HA SER 12 HA SER 12 -5.376 12.398 4.031 61 HB2 SER 12 1HB SER 12 -6.153 15.299 4.417 62 HB3 SER 12 2HB SER 12 -7.290 13.957 4.301 63 HG SER 12 HG SER 12 -6.119 13.057 6.152 64 H LYS 13 H LYS 13 -3.634 14.279 2.052 65 HA LYS 13 HA LYS 13 -5.630 14.321 -0.104 66 HB2 LYS 13 1HB LYS 13 -2.919 15.655 -0.050 67 HB3 LYS 13 2HB LYS 13 -4.191 15.896 -1.241 68 HG2 LYS 13 1HG LYS 13 -4.389 16.624 1.675 69 HG3 LYS 13 2HG LYS 13 -4.027 17.747 0.362 70 HD2 LYS 13 1HD LYS 13 -6.582 16.299 0.961 71 HD3 LYS 13 2HD LYS 13 -6.315 18.024 0.697 72 HE2 LYS 13 1HE LYS 13 -5.626 17.336 -1.683 73 HE3 LYS 13 2HE LYS 13 -6.406 15.799 -1.315 74 HZ1 LYS 13 1HZ LYS 13 -7.783 17.613 -2.439 75 HZ2 LYS 13 2HZ LYS 13 -7.826 18.356 -0.920 76 HZ3 LYS 13 3HZ LYS 13 -8.473 16.806 -1.120 77 H VAL 14 H VAL 14 -3.157 12.446 1.077 78 HA VAL 14 HA VAL 14 -2.153 11.567 -1.509 79 HB VAL 14 HB VAL 14 -0.491 11.707 0.200 80 HG11 VAL 14 1HG1 VAL 14 -0.652 10.326 2.270 81 HG12 VAL 14 2HG1 VAL 14 -1.843 11.625 2.176 82 HG13 VAL 14 3HG1 VAL 14 -2.322 9.961 1.838 83 HG21 VAL 14 1HG2 VAL 14 0.296 9.349 0.324 84 HG22 VAL 14 2HG2 VAL 14 -1.255 8.840 -0.345 85 HG23 VAL 14 3HG2 VAL 14 -0.174 9.856 -1.298 86 H LYS 15 H LYS 15 -2.867 9.840 -2.583 87 HA LYS 15 HA LYS 15 -4.516 7.869 -1.152 88 HB2 LYS 15 1HB LYS 15 -5.154 9.414 -3.624 89 HB3 LYS 15 2HB LYS 15 -5.716 7.751 -3.513 90 HG2 LYS 15 1HG LYS 15 -6.250 9.656 -1.278 91 HG3 LYS 15 2HG LYS 15 -7.251 9.687 -2.732 92 HD2 LYS 15 1HD LYS 15 -6.737 7.064 -1.419 93 HD3 LYS 15 2HD LYS 15 -7.876 8.176 -0.656 94 HE2 LYS 15 1HE LYS 15 -8.041 7.383 -3.555 95 HE3 LYS 15 2HE LYS 15 -8.868 6.503 -2.270 96 HZ1 LYS 15 1HZ LYS 15 -10.328 8.194 -1.922 97 HZ2 LYS 15 2HZ LYS 15 -10.043 8.431 -3.571 98 HZ3 LYS 15 3HZ LYS 15 -9.257 9.401 -2.430 99 H ILE 16 H ILE 16 -4.902 5.910 -2.730 100 HA ILE 16 HA ILE 16 -2.543 5.345 -4.350 101 HB ILE 16 HB ILE 16 -2.055 3.249 -3.254 102 HG12 ILE 16 1HG1 ILE 16 -4.323 4.001 -1.401 103 HG13 ILE 16 2HG1 ILE 16 -4.247 2.608 -2.475 104 HG21 ILE 16 1HG2 ILE 16 -0.749 4.968 -2.375 105 HG22 ILE 16 2HG2 ILE 16 -2.108 5.689 -1.516 106 HG23 ILE 16 3HG2 ILE 16 -1.409 4.174 -0.946 107 HD11 ILE 16 1HD1 ILE 16 -2.851 3.080 0.115 108 HD12 ILE 16 2HD1 ILE 16 -3.779 1.680 -0.426 109 HD13 ILE 16 3HD1 ILE 16 -2.163 1.971 -1.071 110 H ALA 17 H ALA 17 -2.986 4.100 -6.079 111 HA ALA 17 HA ALA 17 -5.434 2.495 -6.103 112 HB1 ALA 17 1HB ALA 17 -6.241 3.415 -8.140 113 HB2 ALA 17 2HB ALA 17 -5.918 4.768 -7.054 114 HB3 ALA 17 3HB ALA 17 -4.785 4.388 -8.351 115 H GLY 18 H GLY 18 -4.945 0.514 -6.769 116 HA2 GLY 18 1HA GLY 18 -3.520 -0.053 -9.136 117 HA3 GLY 18 2HA GLY 18 -2.445 -0.252 -7.760 118 HA PRO 19 HA PRO 19 -5.117 -4.091 -8.563 119 HB2 PRO 19 1HB PRO 19 -3.155 -5.710 -9.513 120 HB3 PRO 19 2HB PRO 19 -4.151 -4.692 -10.560 121 HG2 PRO 19 1HG PRO 19 -1.387 -4.206 -9.519 122 HG3 PRO 19 2HG PRO 19 -2.035 -3.928 -11.146 123 HD2 PRO 19 1HD PRO 19 -1.722 -1.933 -9.343 124 HD3 PRO 19 2HD PRO 19 -3.025 -1.934 -10.548 125 H GLY 20 H GLY 20 -1.956 -3.467 -7.182 126 HA2 GLY 20 1HA GLY 20 -1.695 -5.838 -5.670 127 HA3 GLY 20 2HA GLY 20 -0.888 -4.313 -5.335 128 H LEU 21 H LEU 21 -3.559 -2.954 -5.156 129 HA LEU 21 HA LEU 21 -4.088 -3.706 -2.376 130 HB2 LEU 21 1HB LEU 21 -5.068 -1.264 -3.831 131 HB3 LEU 21 2HB LEU 21 -5.035 -1.541 -2.091 132 HG LEU 21 HG LEU 21 -2.457 -1.504 -3.588 133 HD11 LEU 21 1HD1 LEU 21 -2.978 0.515 -4.432 134 HD12 LEU 21 2HD1 LEU 21 -2.648 1.069 -2.791 135 HD13 LEU 21 3HD1 LEU 21 -4.308 0.764 -3.300 136 HD21 LEU 21 1HD2 LEU 21 -3.381 -0.759 -0.823 137 HD22 LEU 21 2HD2 LEU 21 -1.763 -0.404 -1.429 138 HD23 LEU 21 3HD2 LEU 21 -2.308 -2.077 -1.293 139 H GLY 22 H GLY 22 -5.362 -4.159 -5.442 140 HA2 GLY 22 1HA GLY 22 -8.145 -3.983 -4.909 141 HA3 GLY 22 2HA GLY 22 -7.401 -4.868 -6.233 142 H SER 23 H SER 23 -9.457 -6.140 -5.442 143 HA SER 23 HA SER 23 -8.841 -7.916 -3.217 144 HB2 SER 23 1HB SER 23 -11.288 -7.570 -4.953 145 HB3 SER 23 2HB SER 23 -11.141 -8.855 -3.754 146 HG SER 23 HG SER 23 -12.162 -7.103 -2.808 147 H GLY 24 H GLY 24 -8.213 -7.795 -6.479 148 HA2 GLY 24 1HA GLY 24 -8.422 -10.681 -6.906 149 HA3 GLY 24 2HA GLY 24 -8.024 -9.478 -8.124 150 H VAL 25 H VAL 25 -6.590 -10.153 -4.940 151 HA VAL 25 HA VAL 25 -3.959 -10.235 -6.225 152 HB VAL 25 HB VAL 25 -4.689 -10.043 -3.299 153 HG11 VAL 25 1HG1 VAL 25 -2.586 -10.564 -2.823 154 HG12 VAL 25 2HG1 VAL 25 -2.263 -10.839 -4.536 155 HG13 VAL 25 3HG1 VAL 25 -2.019 -9.239 -3.838 156 HG21 VAL 25 1HG2 VAL 25 -4.929 -8.085 -5.147 157 HG22 VAL 25 2HG2 VAL 25 -4.554 -7.797 -3.449 158 HG23 VAL 25 3HG2 VAL 25 -3.256 -7.851 -4.642 159 H ARG 26 H ARG 26 -2.622 -11.985 -6.146 160 HA ARG 26 HA ARG 26 -3.699 -14.422 -4.887 161 HB2 ARG 26 1HB ARG 26 -2.203 -14.160 -7.500 162 HB3 ARG 26 2HB ARG 26 -2.590 -15.691 -6.728 163 HG2 ARG 26 1HG ARG 26 -5.029 -14.891 -6.831 164 HG3 ARG 26 2HG ARG 26 -4.435 -13.706 -7.996 165 HD2 ARG 26 1HD ARG 26 -3.468 -15.592 -9.309 166 HD3 ARG 26 2HD ARG 26 -4.261 -16.708 -8.198 167 HE ARG 26 HE ARG 26 -5.477 -15.254 -10.339 168 HH11 ARG 26 1HH1 ARG 26 -6.040 -16.662 -7.205 169 HH12 ARG 26 2HH1 ARG 26 -7.739 -16.881 -7.463 170 HH21 ARG 26 1HH2 ARG 26 -7.714 -15.536 -10.690 171 HH22 ARG 26 2HH2 ARG 26 -8.690 -16.241 -9.447 172 H ALA 27 H ALA 27 -2.242 -15.818 -3.900 173 HA ALA 27 HA ALA 27 0.010 -14.643 -2.690 174 HB1 ALA 27 1HB ALA 27 -0.744 -17.554 -2.910 175 HB2 ALA 27 2HB ALA 27 0.476 -16.893 -1.820 176 HB3 ALA 27 3HB ALA 27 -1.218 -16.442 -1.625 177 H ARG 28 H ARG 28 2.236 -15.134 -2.913 178 HA ARG 28 HA ARG 28 4.155 -15.311 -4.125 179 HB2 ARG 28 1HB ARG 28 2.690 -17.650 -5.361 180 HB3 ARG 28 2HB ARG 28 4.425 -17.371 -5.433 181 HG2 ARG 28 1HG ARG 28 4.234 -17.370 -2.826 182 HG3 ARG 28 2HG ARG 28 2.739 -18.255 -3.144 183 HD2 ARG 28 1HD ARG 28 3.979 -19.913 -4.428 184 HD3 ARG 28 2HD ARG 28 5.473 -19.014 -4.168 185 HE ARG 28 HE ARG 28 4.293 -19.648 -1.686 186 HH11 ARG 28 1HH1 ARG 28 5.976 -21.128 -4.350 187 HH12 ARG 28 2HH1 ARG 28 6.651 -22.401 -3.387 188 HH21 ARG 28 1HH2 ARG 28 5.174 -21.319 -0.407 189 HH22 ARG 28 2HH2 ARG 28 6.193 -22.509 -1.145 190 H VAL 29 H VAL 29 2.219 -13.501 -5.144 191 HA VAL 29 HA VAL 29 2.885 -13.605 -8.012 192 HB VAL 29 HB VAL 29 0.316 -12.519 -6.853 193 HG11 VAL 29 1HG1 VAL 29 -0.338 -12.498 -9.297 194 HG12 VAL 29 2HG1 VAL 29 0.848 -11.288 -8.801 195 HG13 VAL 29 3HG1 VAL 29 1.371 -12.737 -9.662 196 HG21 VAL 29 1HG2 VAL 29 -0.376 -14.637 -6.837 197 HG22 VAL 29 2HG2 VAL 29 -0.283 -14.592 -8.597 198 HG23 VAL 29 3HG2 VAL 29 1.082 -15.194 -7.656 199 H LEU 30 H LEU 30 3.315 -11.624 -9.023 200 HA LEU 30 HA LEU 30 4.528 -9.662 -7.350 201 HB2 LEU 30 1HB LEU 30 5.358 -10.254 -9.595 202 HB3 LEU 30 2HB LEU 30 3.906 -9.543 -10.299 203 HG LEU 30 HG LEU 30 4.730 -7.387 -9.050 204 HD11 LEU 30 1HD1 LEU 30 6.562 -8.267 -7.836 205 HD12 LEU 30 2HD1 LEU 30 7.246 -7.305 -9.145 206 HD13 LEU 30 3HD1 LEU 30 7.218 -9.064 -9.266 207 HD21 LEU 30 1HD2 LEU 30 6.498 -7.600 -11.277 208 HD22 LEU 30 2HD2 LEU 30 4.964 -6.737 -11.157 209 HD23 LEU 30 3HD2 LEU 30 4.988 -8.427 -11.664 210 H GLN 31 H GLN 31 3.389 -8.255 -6.197 211 HA GLN 31 HA GLN 31 0.981 -7.068 -7.413 212 HB2 GLN 31 1HB GLN 31 1.590 -7.278 -4.463 213 HB3 GLN 31 2HB GLN 31 0.080 -6.765 -5.203 214 HG2 GLN 31 1HG GLN 31 1.258 -9.524 -5.427 215 HG3 GLN 31 2HG GLN 31 -0.012 -9.049 -4.300 216 HE21 GLN 31 1HE2 GLN 31 -0.712 -11.042 -5.785 217 HE22 GLN 31 2HE2 GLN 31 -1.749 -10.585 -7.088 218 H SER 32 H SER 32 1.002 -4.954 -7.804 219 HA SER 32 HA SER 32 2.727 -3.195 -6.238 220 HB2 SER 32 1HB SER 32 3.916 -4.030 -8.373 221 HB3 SER 32 2HB SER 32 2.781 -2.996 -9.243 222 HG SER 32 HG SER 32 4.289 -1.982 -7.091 223 H PHE 33 H PHE 33 2.185 -0.942 -6.445 224 HA PHE 33 HA PHE 33 -0.280 -0.286 -7.845 225 HB2 PHE 33 1HB PHE 33 -1.236 0.743 -5.751 226 HB3 PHE 33 2HB PHE 33 -1.194 -1.018 -5.761 227 HD1 PHE 33 1HD PHE 33 0.746 -2.160 -4.563 228 HD2 PHE 33 2HD PHE 33 -0.254 1.941 -4.019 229 HE1 PHE 33 1HE PHE 33 1.981 -2.144 -2.434 230 HE2 PHE 33 2HE PHE 33 0.979 1.964 -1.891 231 HZ PHE 33 HZ PHE 33 2.100 -0.081 -1.096 232 H THR 34 H THR 34 -0.828 2.158 -7.110 233 HA THR 34 HA THR 34 1.711 3.647 -7.294 234 HB THR 34 HB THR 34 -0.920 4.358 -8.607 235 HG1 THR 34 1HG THR 34 1.476 3.841 -9.993 236 HG21 THR 34 1HG2 THR 34 0.235 6.224 -9.590 237 HG22 THR 34 2HG2 THR 34 1.761 5.721 -8.862 238 HG23 THR 34 3HG2 THR 34 0.446 6.302 -7.842 239 H VAL 35 H VAL 35 2.039 5.188 -5.818 240 HA VAL 35 HA VAL 35 -0.208 5.910 -4.059 241 HB VAL 35 HB VAL 35 2.752 6.121 -3.485 242 HG11 VAL 35 1HG1 VAL 35 2.232 7.246 -1.637 243 HG12 VAL 35 2HG1 VAL 35 0.603 7.426 -2.293 244 HG13 VAL 35 3HG1 VAL 35 0.975 6.087 -1.207 245 HG21 VAL 35 1HG2 VAL 35 1.679 4.280 -1.743 246 HG22 VAL 35 2HG2 VAL 35 0.875 3.903 -3.267 247 HG23 VAL 35 3HG2 VAL 35 2.636 3.909 -3.177 248 H ASP 36 H ASP 36 -1.090 7.757 -4.753 249 HA ASP 36 HA ASP 36 0.569 9.857 -5.890 250 HB2 ASP 36 1HB ASP 36 -1.654 9.216 -6.877 251 HB3 ASP 36 2HB ASP 36 -2.419 9.875 -5.433 252 H SER 37 H SER 37 1.573 11.194 -4.546 253 HA SER 37 HA SER 37 0.089 12.202 -2.211 254 HB2 SER 37 1HB SER 37 1.913 11.957 -0.790 255 HB3 SER 37 2HB SER 37 2.046 10.511 -1.791 256 HG SER 37 HG SER 37 4.024 11.780 -1.495 257 H SER 38 H SER 38 0.580 13.237 -4.976 258 HA SER 38 HA SER 38 2.437 15.375 -4.829 259 HB2 SER 38 1HB SER 38 1.246 14.234 -6.896 260 HB3 SER 38 2HB SER 38 0.060 15.515 -6.641 261 HG SER 38 HG SER 38 2.633 15.656 -7.607 262 H LYS 39 H LYS 39 -0.971 15.062 -4.064 263 HA LYS 39 HA LYS 39 -1.278 17.906 -3.588 264 HB2 LYS 39 1HB LYS 39 -3.163 15.575 -3.205 265 HB3 LYS 39 2HB LYS 39 -3.590 17.250 -2.877 266 HG2 LYS 39 1HG LYS 39 -2.804 17.604 -5.355 267 HG3 LYS 39 2HG LYS 39 -3.148 15.876 -5.478 268 HD2 LYS 39 1HD LYS 39 -5.187 17.618 -4.193 269 HD3 LYS 39 2HD LYS 39 -5.003 17.711 -5.946 270 HE2 LYS 39 1HE LYS 39 -6.678 16.086 -5.512 271 HE3 LYS 39 2HE LYS 39 -5.228 15.209 -5.998 272 HZ1 LYS 39 1HZ LYS 39 -5.059 15.440 -3.265 273 HZ2 LYS 39 2HZ LYS 39 -5.457 14.048 -4.139 274 HZ3 LYS 39 3HZ LYS 39 -6.682 15.061 -3.560 275 H ALA 40 H ALA 40 -0.056 15.312 -1.887 276 HA ALA 40 HA ALA 40 -0.987 16.098 0.734 277 HB1 ALA 40 1HB ALA 40 0.703 14.360 1.484 278 HB2 ALA 40 2HB ALA 40 -0.630 13.783 0.483 279 HB3 ALA 40 3HB ALA 40 0.966 14.025 -0.227 280 H GLY 41 H GLY 41 1.898 16.499 -1.240 281 HA2 GLY 41 1HA GLY 41 2.991 18.728 -0.720 282 HA3 GLY 41 2HA GLY 41 3.094 18.112 0.923 283 H LEU 42 H LEU 42 5.300 18.101 1.098 284 HA LEU 42 HA LEU 42 6.768 16.400 -0.804 285 HB2 LEU 42 1HB LEU 42 8.745 17.643 0.478 286 HB3 LEU 42 2HB LEU 42 7.956 18.311 -0.949 287 HG LEU 42 HG LEU 42 8.355 19.951 0.889 288 HD11 LEU 42 1HD1 LEU 42 6.615 21.116 0.128 289 HD12 LEU 42 2HD1 LEU 42 5.450 19.959 0.768 290 HD13 LEU 42 3HD1 LEU 42 6.202 19.677 -0.803 291 HD21 LEU 42 1HD2 LEU 42 6.078 19.216 2.477 292 HD22 LEU 42 2HD2 LEU 42 7.737 19.539 2.982 293 HD23 LEU 42 3HD2 LEU 42 7.268 17.915 2.477 294 H ALA 43 H ALA 43 5.203 15.779 1.765 295 HA ALA 43 HA ALA 43 7.173 14.836 3.621 296 HB1 ALA 43 1HB ALA 43 4.953 13.511 4.361 297 HB2 ALA 43 2HB ALA 43 5.284 15.186 4.803 298 HB3 ALA 43 3HB ALA 43 4.231 14.827 3.435 299 HA PRO 44 HA PRO 44 8.118 10.923 1.853 300 HB2 PRO 44 1HB PRO 44 8.717 9.522 4.100 301 HB3 PRO 44 2HB PRO 44 9.779 10.767 3.433 302 HG2 PRO 44 1HG PRO 44 7.827 10.957 5.695 303 HG3 PRO 44 2HG PRO 44 9.474 11.604 5.581 304 HD2 PRO 44 1HD PRO 44 7.277 13.139 5.198 305 HD3 PRO 44 2HD PRO 44 8.806 13.430 4.345 306 H LEU 45 H LEU 45 7.519 8.607 1.944 307 HA LEU 45 HA LEU 45 4.824 8.199 3.061 308 HB2 LEU 45 1HB LEU 45 4.510 8.473 0.734 309 HB3 LEU 45 2HB LEU 45 5.901 7.460 0.354 310 HG LEU 45 HG LEU 45 4.448 5.602 1.532 311 HD11 LEU 45 1HD1 LEU 45 2.565 7.822 1.063 312 HD12 LEU 45 2HD1 LEU 45 2.503 6.503 2.232 313 HD13 LEU 45 3HD1 LEU 45 2.023 6.222 0.558 314 HD21 LEU 45 1HD2 LEU 45 3.246 5.478 -0.867 315 HD22 LEU 45 2HD2 LEU 45 4.933 5.035 -0.601 316 HD23 LEU 45 3HD2 LEU 45 4.530 6.632 -1.234 317 H GLU 46 H GLU 46 4.621 6.476 4.332 318 HA GLU 46 HA GLU 46 6.760 4.452 4.270 319 HB2 GLU 46 1HB GLU 46 6.430 5.856 6.369 320 HB3 GLU 46 2HB GLU 46 4.910 5.001 6.585 321 HG2 GLU 46 1HG GLU 46 6.357 3.802 7.917 322 HG3 GLU 46 2HG GLU 46 6.349 2.867 6.423 323 H VAL 47 H VAL 47 6.226 2.259 4.424 324 HA VAL 47 HA VAL 47 3.391 1.552 4.197 325 HB VAL 47 HB VAL 47 5.486 0.483 2.303 326 HG11 VAL 47 1HG1 VAL 47 3.952 -1.196 2.334 327 HG12 VAL 47 2HG1 VAL 47 2.633 -0.134 2.830 328 HG13 VAL 47 3HG1 VAL 47 3.175 -0.146 1.151 329 HG21 VAL 47 1HG2 VAL 47 3.337 2.551 1.870 330 HG22 VAL 47 2HG2 VAL 47 5.080 2.780 1.738 331 HG23 VAL 47 3HG2 VAL 47 4.235 1.764 0.571 332 H ARG 48 H ARG 48 2.919 -0.651 4.697 333 HA ARG 48 HA ARG 48 5.017 -2.381 5.655 334 HB2 ARG 48 1HB ARG 48 3.279 -0.835 7.512 335 HB3 ARG 48 2HB ARG 48 3.608 -2.513 7.919 336 HG2 ARG 48 1HG ARG 48 6.065 -1.947 7.631 337 HG3 ARG 48 2HG ARG 48 5.559 -0.255 7.615 338 HD2 ARG 48 1HD ARG 48 6.022 -0.557 9.846 339 HD3 ARG 48 2HD ARG 48 4.298 -0.921 9.806 340 HE ARG 48 HE ARG 48 4.774 -3.112 10.311 341 HH11 ARG 48 1HH1 ARG 48 7.705 -1.449 9.437 342 HH12 ARG 48 2HH1 ARG 48 8.743 -2.743 9.936 343 HH21 ARG 48 1HH2 ARG 48 6.130 -4.823 10.973 344 HH22 ARG 48 2HH2 ARG 48 7.846 -4.662 10.808 345 H VAL 49 H VAL 49 4.419 -4.491 5.615 346 HA VAL 49 HA VAL 49 1.586 -5.058 5.022 347 HB VAL 49 HB VAL 49 4.057 -6.443 3.975 348 HG11 VAL 49 1HG1 VAL 49 1.196 -7.275 4.029 349 HG12 VAL 49 2HG1 VAL 49 2.180 -7.682 2.622 350 HG13 VAL 49 3HG1 VAL 49 2.655 -8.244 4.225 351 HG21 VAL 49 1HG2 VAL 49 3.475 -4.350 2.845 352 HG22 VAL 49 2HG2 VAL 49 3.230 -5.742 1.790 353 HG23 VAL 49 3HG2 VAL 49 1.845 -4.960 2.553 354 H LEU 50 H LEU 50 0.616 -6.108 6.617 355 HA LEU 50 HA LEU 50 2.216 -7.911 8.306 356 HB2 LEU 50 1HB LEU 50 -0.052 -6.080 8.856 357 HB3 LEU 50 2HB LEU 50 0.026 -7.580 9.778 358 HG LEU 50 HG LEU 50 1.017 -5.679 10.979 359 HD11 LEU 50 1HD1 LEU 50 3.318 -7.436 10.288 360 HD12 LEU 50 2HD1 LEU 50 1.877 -8.160 11.000 361 HD13 LEU 50 3HD1 LEU 50 2.744 -6.891 11.865 362 HD21 LEU 50 1HD2 LEU 50 2.534 -5.438 8.454 363 HD22 LEU 50 2HD2 LEU 50 3.430 -5.154 9.947 364 HD23 LEU 50 3HD2 LEU 50 1.995 -4.193 9.580 365 H GLY 51 H GLY 51 1.842 -10.017 8.124 366 HA2 GLY 51 1HA GLY 51 -0.027 -11.121 6.358 367 HA3 GLY 51 2HA GLY 51 0.828 -12.010 7.611 368 HA PRO 52 HA PRO 52 -3.787 -11.804 8.513 369 HB2 PRO 52 1HB PRO 52 -4.235 -14.479 8.421 370 HB3 PRO 52 2HB PRO 52 -4.357 -13.436 7.000 371 HG2 PRO 52 1HG PRO 52 -2.101 -15.206 7.860 372 HG3 PRO 52 2HG PRO 52 -2.784 -14.971 6.241 373 HD2 PRO 52 1HD PRO 52 -0.499 -13.764 7.048 374 HD3 PRO 52 2HD PRO 52 -1.623 -13.010 5.899 375 H ARG 53 H ARG 53 -1.312 -14.126 9.560 376 HA ARG 53 HA ARG 53 -2.550 -14.397 12.170 377 HB2 ARG 53 1HB ARG 53 0.155 -15.506 11.638 378 HB3 ARG 53 2HB ARG 53 -1.208 -16.223 12.486 379 HG2 ARG 53 1HG ARG 53 -1.287 -17.527 10.655 380 HG3 ARG 53 2HG ARG 53 -2.209 -16.172 10.000 381 HD2 ARG 53 1HD ARG 53 -0.662 -16.498 8.333 382 HD3 ARG 53 2HD ARG 53 0.154 -15.284 9.318 383 HE ARG 53 HE ARG 53 0.783 -18.028 9.976 384 HH11 ARG 53 1HH1 ARG 53 1.636 -15.211 8.118 385 HH12 ARG 53 2HH1 ARG 53 3.285 -15.695 7.898 386 HH21 ARG 53 1HH2 ARG 53 2.951 -18.676 9.693 387 HH22 ARG 53 2HH2 ARG 53 4.031 -17.666 8.794 388 H GLY 54 H GLY 54 0.084 -12.684 10.667 389 HA2 GLY 54 1HA GLY 54 0.528 -10.580 12.075 390 HA3 GLY 54 2HA GLY 54 0.999 -11.745 13.304 391 H LEU 55 H LEU 55 1.642 -12.088 9.864 392 HA LEU 55 HA LEU 55 4.464 -12.379 10.417 393 HB2 LEU 55 1HB LEU 55 3.605 -13.919 8.863 394 HB3 LEU 55 2HB LEU 55 2.768 -12.661 7.956 395 HG LEU 55 HG LEU 55 5.076 -11.796 7.325 396 HD11 LEU 55 1HD1 LEU 55 6.255 -13.086 9.106 397 HD12 LEU 55 2HD1 LEU 55 6.933 -13.284 7.491 398 HD13 LEU 55 3HD1 LEU 55 5.925 -14.554 8.184 399 HD21 LEU 55 1HD2 LEU 55 5.338 -14.005 5.802 400 HD22 LEU 55 2HD2 LEU 55 4.151 -12.738 5.499 401 HD23 LEU 55 3HD2 LEU 55 3.678 -14.202 6.361 402 H VAL 56 H VAL 56 6.119 -11.199 9.272 403 HA VAL 56 HA VAL 56 5.287 -8.459 8.566 404 HB VAL 56 HB VAL 56 6.527 -8.529 10.693 405 HG11 VAL 56 1HG1 VAL 56 8.711 -9.335 10.906 406 HG12 VAL 56 2HG1 VAL 56 7.888 -10.569 9.949 407 HG13 VAL 56 3HG1 VAL 56 8.953 -9.404 9.161 408 HG21 VAL 56 1HG2 VAL 56 8.619 -7.190 9.384 409 HG22 VAL 56 2HG2 VAL 56 7.190 -6.981 8.370 410 HG23 VAL 56 3HG2 VAL 56 7.150 -6.490 10.063 411 H GLU 57 H GLU 57 5.468 -8.187 6.442 412 HA GLU 57 HA GLU 57 7.752 -9.429 5.056 413 HB2 GLU 57 1HB GLU 57 5.112 -8.550 3.874 414 HB3 GLU 57 2HB GLU 57 6.414 -9.362 3.018 415 HG2 GLU 57 1HG GLU 57 5.008 -10.592 5.367 416 HG3 GLU 57 2HG GLU 57 4.448 -10.785 3.708 417 HA PRO 58 HA PRO 58 9.343 -5.413 4.215 418 HB2 PRO 58 1HB PRO 58 10.839 -5.993 2.026 419 HB3 PRO 58 2HB PRO 58 11.305 -6.471 3.663 420 HG2 PRO 58 1HG PRO 58 9.982 -8.090 1.520 421 HG3 PRO 58 2HG PRO 58 11.294 -8.550 2.620 422 HD2 PRO 58 1HD PRO 58 8.722 -9.288 3.033 423 HD3 PRO 58 2HD PRO 58 9.851 -8.975 4.367 424 H VAL 59 H VAL 59 9.518 -3.808 2.423 425 HA VAL 59 HA VAL 59 7.602 -4.203 0.248 426 HB VAL 59 HB VAL 59 6.621 -1.938 0.681 427 HG11 VAL 59 1HG1 VAL 59 5.263 -3.780 1.226 428 HG12 VAL 59 2HG1 VAL 59 6.228 -4.175 2.650 429 HG13 VAL 59 3HG1 VAL 59 5.213 -2.732 2.644 430 HG21 VAL 59 1HG2 VAL 59 8.669 -1.654 2.465 431 HG22 VAL 59 2HG2 VAL 59 7.223 -0.645 2.413 432 HG23 VAL 59 3HG2 VAL 59 7.306 -2.011 3.526 433 H ASN 60 H ASN 60 7.803 -2.626 -1.464 434 HA ASN 60 HA ASN 60 10.500 -1.454 -1.565 435 HB2 ASN 60 1HB ASN 60 9.979 -3.256 -3.222 436 HB3 ASN 60 2HB ASN 60 8.728 -2.214 -3.895 437 HD21 ASN 60 1HD2 ASN 60 9.289 -0.957 -5.517 438 HD22 ASN 60 2HD2 ASN 60 10.903 -0.502 -5.937 439 H VAL 61 H VAL 61 10.793 0.646 -2.251 440 HA VAL 61 HA VAL 61 8.378 2.235 -2.784 441 HB VAL 61 HB VAL 61 8.793 2.731 -0.512 442 HG11 VAL 61 1HG1 VAL 61 11.665 3.409 -1.014 443 HG12 VAL 61 2HG1 VAL 61 10.859 3.006 0.504 444 HG13 VAL 61 3HG1 VAL 61 11.181 1.745 -0.686 445 HG21 VAL 61 1HG2 VAL 61 9.021 4.669 -2.484 446 HG22 VAL 61 2HG2 VAL 61 8.657 4.940 -0.780 447 HG23 VAL 61 3HG2 VAL 61 10.322 5.043 -1.352 448 H VAL 62 H VAL 62 8.566 3.283 -4.641 449 HA VAL 62 HA VAL 62 11.192 4.330 -5.435 450 HB VAL 62 HB VAL 62 9.323 2.822 -7.268 451 HG11 VAL 62 1HG1 VAL 62 10.562 3.472 -9.064 452 HG12 VAL 62 2HG1 VAL 62 10.767 4.907 -8.056 453 HG13 VAL 62 3HG1 VAL 62 12.033 3.680 -8.116 454 HG21 VAL 62 1HG2 VAL 62 10.635 1.007 -7.059 455 HG22 VAL 62 2HG2 VAL 62 12.116 1.961 -6.969 456 HG23 VAL 62 3HG2 VAL 62 11.116 1.750 -5.533 457 H ASP 63 H ASP 63 11.138 6.363 -6.178 458 HA ASP 63 HA ASP 63 8.572 7.714 -6.300 459 HB2 ASP 63 1HB ASP 63 10.525 8.704 -5.097 460 HB3 ASP 63 2HB ASP 63 11.344 8.871 -6.647 461 H ASN 64 H ASN 64 7.533 8.263 -8.106 462 HA ASN 64 HA ASN 64 8.478 7.381 -10.643 463 HB2 ASN 64 1HB ASN 64 6.081 9.004 -9.791 464 HB3 ASN 64 2HB ASN 64 6.403 8.611 -11.478 465 HD21 ASN 64 1HD2 ASN 64 6.105 7.082 -8.297 466 HD22 ASN 64 2HD2 ASN 64 5.331 5.647 -8.869 467 H GLY 65 H GLY 65 8.130 10.553 -9.106 468 HA2 GLY 65 1HA GLY 65 9.827 12.232 -9.561 469 HA3 GLY 65 2HA GLY 65 9.880 11.648 -11.217 470 H ASP 66 H ASP 66 6.833 11.460 -11.073 471 HA ASP 66 HA ASP 66 6.378 14.215 -11.920 472 HB2 ASP 66 1HB ASP 66 5.671 12.004 -13.175 473 HB3 ASP 66 2HB ASP 66 4.279 12.093 -12.099 474 H GLY 67 H GLY 67 5.088 11.833 -9.635 475 HA2 GLY 67 1HA GLY 67 4.566 13.459 -7.531 476 HA3 GLY 67 2HA GLY 67 3.161 13.695 -8.560 477 H THR 68 H THR 68 4.948 10.683 -8.187 478 HA THR 68 HA THR 68 2.938 9.566 -6.423 479 HB THR 68 HB THR 68 2.340 7.715 -7.902 480 HG1 THR 68 1HG THR 68 3.519 9.061 -10.083 481 HG21 THR 68 1HG2 THR 68 1.861 10.248 -9.450 482 HG22 THR 68 2HG2 THR 68 1.084 9.947 -7.894 483 HG23 THR 68 3HG2 THR 68 0.793 8.859 -9.251 484 H HIS 69 H HIS 69 3.426 7.079 -6.201 485 HA HIS 69 HA HIS 69 6.285 6.524 -6.421 486 HB2 HIS 69 1HB HIS 69 4.803 6.270 -3.797 487 HB3 HIS 69 2HB HIS 69 6.503 5.907 -4.085 488 HD1 HIS 69 1HD HIS 69 8.101 7.757 -3.644 489 HD2 HIS 69 2HD HIS 69 4.214 9.137 -4.138 490 HE1 HIS 69 1HE HIS 69 8.190 10.217 -3.131 491 HE2 HIS 69 2HE HIS 69 5.812 11.013 -3.353 492 H THR 70 H THR 70 6.710 4.441 -6.871 493 HA THR 70 HA THR 70 4.430 2.616 -7.046 494 HB THR 70 HB THR 70 7.196 2.501 -8.256 495 HG1 THR 70 1HG THR 70 4.625 3.164 -9.141 496 HG21 THR 70 1HG2 THR 70 6.479 0.451 -9.384 497 HG22 THR 70 2HG2 THR 70 4.960 0.482 -8.489 498 HG23 THR 70 3HG2 THR 70 6.483 0.240 -7.634 499 H VAL 71 H VAL 71 4.216 0.840 -5.819 500 HA VAL 71 HA VAL 71 6.483 0.054 -4.107 501 HB VAL 71 HB VAL 71 3.574 0.083 -3.293 502 HG11 VAL 71 1HG1 VAL 71 4.185 -1.428 -1.780 503 HG12 VAL 71 2HG1 VAL 71 5.882 -1.299 -2.253 504 HG13 VAL 71 3HG1 VAL 71 5.212 -0.192 -1.054 505 HG21 VAL 71 1HG2 VAL 71 3.982 1.973 -2.012 506 HG22 VAL 71 2HG2 VAL 71 5.729 1.740 -2.041 507 HG23 VAL 71 3HG2 VAL 71 4.891 2.305 -3.485 508 H THR 72 H THR 72 7.149 -1.844 -4.882 509 HA THR 72 HA THR 72 5.180 -3.777 -5.862 510 HB THR 72 HB THR 72 7.156 -5.031 -6.714 511 HG1 THR 72 1HG THR 72 8.597 -2.728 -5.844 512 HG21 THR 72 1HG2 THR 72 7.633 -3.543 -8.550 513 HG22 THR 72 2HG2 THR 72 7.124 -2.145 -7.602 514 HG23 THR 72 3HG2 THR 72 5.940 -3.355 -8.096 515 H TYR 73 H TYR 73 4.932 -5.806 -4.999 516 HA TYR 73 HA TYR 73 6.649 -6.787 -2.912 517 HB2 TYR 73 1HB TYR 73 5.221 -6.644 -1.077 518 HB3 TYR 73 2HB TYR 73 4.990 -5.085 -1.860 519 HD1 TYR 73 2HD TYR 73 3.469 -8.340 -1.132 520 HD2 TYR 73 1HD TYR 73 2.898 -4.535 -2.947 521 HE1 TYR 73 2HE TYR 73 1.050 -8.766 -1.250 522 HE2 TYR 73 1HE TYR 73 0.476 -4.949 -3.068 523 HH TYR 73 HH TYR 73 -1.205 -6.281 -2.288 524 H THR 74 H THR 74 5.736 -8.880 -1.990 525 HA THR 74 HA THR 74 3.904 -10.249 -3.804 526 HB THR 74 HB THR 74 6.670 -11.320 -3.211 527 HG1 THR 74 1HG THR 74 5.511 -10.359 -5.635 528 HG21 THR 74 1HG2 THR 74 4.930 -12.542 -5.268 529 HG22 THR 74 2HG2 THR 74 4.468 -12.817 -3.589 530 HG23 THR 74 3HG2 THR 74 6.069 -13.296 -4.152 531 HA PRO 75 HA PRO 75 2.705 -11.605 0.295 532 HB2 PRO 75 1HB PRO 75 0.427 -12.841 -0.514 533 HB3 PRO 75 2HB PRO 75 0.550 -11.088 -0.315 534 HG2 PRO 75 1HG PRO 75 0.727 -12.728 -2.813 535 HG3 PRO 75 2HG PRO 75 -0.126 -11.197 -2.537 536 HD2 PRO 75 1HD PRO 75 2.282 -11.322 -3.771 537 HD3 PRO 75 2HD PRO 75 1.794 -9.942 -2.766 538 H SER 76 H SER 76 4.308 -13.137 0.693 539 HA SER 76 HA SER 76 5.031 -15.403 -0.514 540 HB2 SER 76 1HB SER 76 5.406 -16.429 1.733 541 HB3 SER 76 2HB SER 76 5.998 -14.772 1.614 542 HG SER 76 HG SER 76 3.828 -14.225 2.524 543 H GLN 77 H GLN 77 2.159 -15.151 1.564 544 HA GLN 77 HA GLN 77 1.064 -17.505 0.187 545 HB2 GLN 77 1HB GLN 77 0.023 -18.183 2.365 546 HB3 GLN 77 2HB GLN 77 1.774 -18.336 2.313 547 HG2 GLN 77 1HG GLN 77 1.707 -15.939 3.362 548 HG3 GLN 77 2HG GLN 77 0.081 -16.424 3.838 549 HE21 GLN 77 1HE2 GLN 77 0.916 -16.191 6.013 550 HE22 GLN 77 2HE2 GLN 77 1.784 -17.499 6.731 551 H GLU 78 H GLU 78 -1.402 -17.672 1.135 552 HA GLU 78 HA GLU 78 -2.582 -15.092 0.390 553 HB2 GLU 78 1HB GLU 78 -4.565 -16.312 -0.218 554 HB3 GLU 78 2HB GLU 78 -3.176 -17.103 -0.951 555 HG2 GLU 78 1HG GLU 78 -4.421 -18.875 -0.158 556 HG3 GLU 78 2HG GLU 78 -3.231 -18.632 1.120 557 H GLY 79 H GLY 79 -4.798 -14.689 1.430 558 HA2 GLY 79 1HA GLY 79 -6.068 -15.331 3.532 559 HA3 GLY 79 2HA GLY 79 -4.513 -15.150 4.332 560 HA PRO 80 HA PRO 80 -6.942 -11.112 4.338 561 HB2 PRO 80 1HB PRO 80 -7.228 -10.920 7.031 562 HB3 PRO 80 2HB PRO 80 -8.402 -11.743 5.997 563 HG2 PRO 80 1HG PRO 80 -6.206 -12.905 7.667 564 HG3 PRO 80 2HG PRO 80 -7.874 -13.467 7.465 565 HD2 PRO 80 1HD PRO 80 -5.789 -14.598 6.159 566 HD3 PRO 80 2HD PRO 80 -7.417 -14.502 5.457 567 H TYR 81 H TYR 81 -4.881 -10.294 3.632 568 HA TYR 81 HA TYR 81 -2.831 -9.805 5.619 569 HB2 TYR 81 1HB TYR 81 -3.073 -9.489 2.672 570 HB3 TYR 81 2HB TYR 81 -1.935 -8.434 3.503 571 HD1 TYR 81 1HD TYR 81 -2.880 -12.051 3.728 572 HD2 TYR 81 2HD TYR 81 0.238 -9.175 3.395 573 HE1 TYR 81 1HE TYR 81 -1.217 -13.862 3.735 574 HE2 TYR 81 2HE TYR 81 1.910 -10.979 3.401 575 HH TYR 81 HH TYR 81 1.702 -13.683 2.680 576 H MET 82 H MET 82 -1.842 -7.494 5.538 577 HA MET 82 HA MET 82 -3.867 -5.409 5.355 578 HB2 MET 82 1HB MET 82 -4.015 -6.311 7.669 579 HB3 MET 82 2HB MET 82 -2.323 -5.896 7.908 580 HG2 MET 82 1HG MET 82 -2.745 -3.624 7.926 581 HG3 MET 82 2HG MET 82 -4.275 -3.800 7.072 582 HE1 MET 82 1HE MET 82 -2.395 -4.771 10.344 583 HE2 MET 82 2HE MET 82 -2.722 -3.041 10.432 584 HE3 MET 82 3HE MET 82 -3.509 -4.146 11.560 585 H VAL 83 H VAL 83 -2.968 -3.826 4.228 586 HA VAL 83 HA VAL 83 -0.062 -3.411 4.435 587 HB VAL 83 HB VAL 83 -1.994 -2.698 2.228 588 HG11 VAL 83 1HG1 VAL 83 0.660 -1.625 2.881 589 HG12 VAL 83 2HG1 VAL 83 0.464 -2.163 1.211 590 HG13 VAL 83 3HG1 VAL 83 -0.626 -0.948 1.882 591 HG21 VAL 83 1HG2 VAL 83 -0.523 -5.016 2.754 592 HG22 VAL 83 2HG2 VAL 83 -1.353 -4.593 1.256 593 HG23 VAL 83 3HG2 VAL 83 0.350 -4.185 1.467 594 H SER 84 H SER 84 0.201 -1.965 6.059 595 HA SER 84 HA SER 84 -1.544 0.328 6.316 596 HB2 SER 84 1HB SER 84 -0.559 -0.940 8.279 597 HB3 SER 84 2HB SER 84 0.994 -0.217 7.862 598 HG SER 84 HG SER 84 -0.475 1.824 7.928 599 H VAL 85 H VAL 85 -0.917 2.493 6.107 600 HA VAL 85 HA VAL 85 1.680 3.044 4.880 601 HB VAL 85 HB VAL 85 -0.950 3.878 3.650 602 HG11 VAL 85 1HG1 VAL 85 0.282 5.109 2.037 603 HG12 VAL 85 2HG1 VAL 85 0.875 5.613 3.620 604 HG13 VAL 85 3HG1 VAL 85 1.818 4.491 2.640 605 HG21 VAL 85 1HG2 VAL 85 1.074 1.803 3.005 606 HG22 VAL 85 2HG2 VAL 85 -0.678 1.772 2.815 607 HG23 VAL 85 3HG2 VAL 85 0.317 2.661 1.663 608 H LYS 86 H LYS 86 2.518 5.006 5.396 609 HA LYS 86 HA LYS 86 0.800 6.856 6.913 610 HB2 LYS 86 1HB LYS 86 2.640 5.391 8.153 611 HB3 LYS 86 2HB LYS 86 3.702 6.666 7.570 612 HG2 LYS 86 1HG LYS 86 2.606 8.310 8.819 613 HG3 LYS 86 2HG LYS 86 1.193 7.287 9.090 614 HD2 LYS 86 1HD LYS 86 2.711 5.749 10.397 615 HD3 LYS 86 2HD LYS 86 3.939 7.013 10.300 616 HE2 LYS 86 1HE LYS 86 1.941 8.499 11.211 617 HE3 LYS 86 2HE LYS 86 1.391 6.941 11.829 618 HZ1 LYS 86 1HZ LYS 86 3.568 8.594 12.713 619 HZ2 LYS 86 2HZ LYS 86 4.011 6.977 12.501 620 HZ3 LYS 86 3HZ LYS 86 2.734 7.374 13.536 621 H TYR 87 H TYR 87 1.858 9.077 7.096 622 HA TYR 87 HA TYR 87 3.649 9.808 4.955 623 HB2 TYR 87 1HB TYR 87 1.215 9.675 4.038 624 HB3 TYR 87 2HB TYR 87 0.977 11.176 4.927 625 HD1 TYR 87 1HD TYR 87 3.020 9.595 2.265 626 HD2 TYR 87 2HD TYR 87 1.711 13.231 4.042 627 HE1 TYR 87 1HE TYR 87 3.980 10.853 0.382 628 HE2 TYR 87 2HE TYR 87 2.665 14.500 2.164 629 HH TYR 87 HH TYR 87 3.207 13.783 -0.454 630 H ALA 88 H ALA 88 5.030 10.914 6.202 631 HA ALA 88 HA ALA 88 5.885 12.612 7.459 632 HB1 ALA 88 1HB ALA 88 5.038 14.609 6.967 633 HB2 ALA 88 2HB ALA 88 3.760 13.760 6.095 634 HB3 ALA 88 3HB ALA 88 3.514 14.239 7.774 635 H ASP 89 H ASP 89 4.922 10.360 8.776 636 HA ASP 89 HA ASP 89 4.485 9.603 10.877 637 HB2 ASP 89 1HB ASP 89 5.203 12.454 11.340 638 HB3 ASP 89 2HB ASP 89 4.424 11.591 12.663 639 H GLU 90 H GLU 90 2.326 10.331 9.100 640 HA GLU 90 HA GLU 90 0.210 10.553 11.102 641 HB2 GLU 90 1HB GLU 90 0.360 12.265 8.616 642 HB3 GLU 90 2HB GLU 90 -1.051 12.135 9.657 643 HG2 GLU 90 1HG GLU 90 1.527 12.909 10.902 644 HG3 GLU 90 2HG GLU 90 0.697 14.097 9.898 645 H GLU 91 H GLU 91 -0.681 8.593 10.862 646 HA GLU 91 HA GLU 91 -0.726 7.023 8.578 647 HB2 GLU 91 1HB GLU 91 -2.230 7.073 11.128 648 HB3 GLU 91 2HB GLU 91 -2.965 6.167 9.814 649 HG2 GLU 91 1HG GLU 91 -1.197 4.660 9.699 650 HG3 GLU 91 2HG GLU 91 -0.104 5.731 10.573 651 H ILE 92 H ILE 92 -1.512 7.608 6.663 652 HA ILE 92 HA ILE 92 -3.319 9.573 6.062 653 HB ILE 92 HB ILE 92 -3.743 8.420 3.931 654 HG12 ILE 92 1HG1 ILE 92 -2.091 6.162 5.079 655 HG13 ILE 92 2HG1 ILE 92 -3.844 6.119 4.915 656 HG21 ILE 92 1HG2 ILE 92 -1.773 9.710 3.981 657 HG22 ILE 92 2HG2 ILE 92 -0.917 8.510 4.947 658 HG23 ILE 92 3HG2 ILE 92 -1.308 8.168 3.261 659 HD11 ILE 92 1HD1 ILE 92 -2.897 6.823 2.394 660 HD12 ILE 92 2HD1 ILE 92 -1.809 5.559 2.971 661 HD13 ILE 92 3HD1 ILE 92 -3.546 5.263 2.900 662 HA PRO 93 HA PRO 93 -7.329 8.247 7.264 663 HB2 PRO 93 1HB PRO 93 -8.849 9.410 5.338 664 HB3 PRO 93 2HB PRO 93 -8.069 10.328 6.631 665 HG2 PRO 93 1HG PRO 93 -7.189 9.924 3.799 666 HG3 PRO 93 2HG PRO 93 -7.177 11.405 4.773 667 HD2 PRO 93 1HD PRO 93 -4.956 9.910 4.366 668 HD3 PRO 93 2HD PRO 93 -5.233 10.819 5.865 669 H ARG 94 H ARG 94 -5.760 6.969 4.680 670 HA ARG 94 HA ARG 94 -8.054 5.298 3.889 671 HB2 ARG 94 1HB ARG 94 -5.543 6.020 2.371 672 HB3 ARG 94 2HB ARG 94 -6.684 4.791 1.839 673 HG2 ARG 94 1HG ARG 94 -7.685 7.533 2.431 674 HG3 ARG 94 2HG ARG 94 -6.818 7.234 0.924 675 HD2 ARG 94 1HD ARG 94 -8.410 5.657 0.200 676 HD3 ARG 94 2HD ARG 94 -9.121 5.521 1.807 677 HE ARG 94 HE ARG 94 -9.747 7.465 -0.194 678 HH11 ARG 94 1HH1 ARG 94 -9.621 6.883 3.236 679 HH12 ARG 94 2HH1 ARG 94 -10.828 8.066 3.614 680 HH21 ARG 94 1HH2 ARG 94 -11.338 9.027 0.291 681 HH22 ARG 94 2HH2 ARG 94 -11.804 9.285 1.938 682 H SER 95 H SER 95 -5.347 5.302 5.771 683 HA SER 95 HA SER 95 -4.877 2.420 5.387 684 HB2 SER 95 1HB SER 95 -2.753 3.227 5.151 685 HB3 SER 95 2HB SER 95 -3.090 4.685 6.085 686 HG SER 95 HG SER 95 -2.686 3.625 7.925 687 HA PRO 96 HA PRO 96 -3.443 1.021 6.681 688 HB2 PRO 96 1HB PRO 96 -4.362 -1.393 7.513 689 HB3 PRO 96 2HB PRO 96 -3.245 -0.410 8.466 690 HG2 PRO 96 1HG PRO 96 -6.212 -0.700 8.731 691 HG3 PRO 96 2HG PRO 96 -4.975 -0.661 10.000 692 HD2 PRO 96 1HD PRO 96 -6.492 1.494 9.378 693 HD3 PRO 96 2HD PRO 96 -4.818 1.639 9.951 694 H PHE 97 H PHE 97 -3.882 -1.040 5.284 695 HA PHE 97 HA PHE 97 -6.448 -0.668 3.883 696 HB2 PHE 97 1HB PHE 97 -3.700 -1.198 2.752 697 HB3 PHE 97 2HB PHE 97 -5.174 -1.406 1.814 698 HD1 PHE 97 1HD PHE 97 -6.485 0.505 1.115 699 HD2 PHE 97 2HD PHE 97 -2.905 0.996 3.363 700 HE1 PHE 97 1HE PHE 97 -6.450 2.895 0.531 701 HE2 PHE 97 2HE PHE 97 -2.865 3.386 2.783 702 HZ PHE 97 HZ PHE 97 -4.638 4.339 1.366 703 H LYS 98 H LYS 98 -7.716 -2.386 4.003 704 HA LYS 98 HA LYS 98 -6.672 -4.947 4.830 705 HB2 LYS 98 1HB LYS 98 -9.469 -4.015 4.169 706 HB3 LYS 98 2HB LYS 98 -9.083 -5.641 4.717 707 HG2 LYS 98 1HG LYS 98 -8.670 -4.974 6.856 708 HG3 LYS 98 2HG LYS 98 -8.159 -3.355 6.371 709 HD2 LYS 98 1HD LYS 98 -10.199 -2.910 7.346 710 HD3 LYS 98 2HD LYS 98 -10.663 -3.102 5.654 711 HE2 LYS 98 1HE LYS 98 -10.655 -5.511 7.399 712 HE3 LYS 98 2HE LYS 98 -11.955 -4.338 7.604 713 HZ1 LYS 98 1HZ LYS 98 -12.315 -4.535 5.147 714 HZ2 LYS 98 2HZ LYS 98 -12.699 -5.918 6.041 715 HZ3 LYS 98 3HZ LYS 98 -11.258 -5.855 5.156 716 H VAL 99 H VAL 99 -5.624 -6.081 3.310 717 HA VAL 99 HA VAL 99 -6.914 -6.378 0.676 718 HB VAL 99 HB VAL 99 -3.978 -6.604 1.352 719 HG11 VAL 99 1HG1 VAL 99 -4.319 -6.450 -1.412 720 HG12 VAL 99 2HG1 VAL 99 -3.820 -7.860 -0.477 721 HG13 VAL 99 3HG1 VAL 99 -5.524 -7.614 -0.863 722 HG21 VAL 99 1HG2 VAL 99 -3.650 -4.524 0.464 723 HG22 VAL 99 2HG2 VAL 99 -5.072 -4.620 -0.577 724 HG23 VAL 99 3HG2 VAL 99 -5.261 -4.302 1.148 725 H LYS 100 H LYS 100 -8.026 -8.236 0.757 726 HA LYS 100 HA LYS 100 -7.053 -10.524 2.228 727 HB2 LYS 100 1HB LYS 100 -9.457 -9.982 2.161 728 HB3 LYS 100 2HB LYS 100 -9.463 -10.243 0.421 729 HG2 LYS 100 1HG LYS 100 -8.625 -12.603 0.971 730 HG3 LYS 100 2HG LYS 100 -9.149 -12.251 2.619 731 HD2 LYS 100 1HD LYS 100 -11.404 -11.695 1.708 732 HD3 LYS 100 2HD LYS 100 -10.847 -12.244 0.126 733 HE2 LYS 100 1HE LYS 100 -10.770 -13.968 2.593 734 HE3 LYS 100 2HE LYS 100 -12.143 -13.929 1.488 735 HZ1 LYS 100 1HZ LYS 100 -10.147 -14.340 -0.218 736 HZ2 LYS 100 2HZ LYS 100 -11.018 -15.593 0.510 737 HZ3 LYS 100 3HZ LYS 100 -9.521 -15.125 1.143 738 H VAL 101 H VAL 101 -5.322 -11.488 1.324 739 HA VAL 101 HA VAL 101 -4.906 -11.712 -1.480 740 HB VAL 101 HB VAL 101 -3.601 -13.337 0.707 741 HG11 VAL 101 1HG1 VAL 101 -1.741 -13.495 -0.913 742 HG12 VAL 101 2HG1 VAL 101 -3.221 -14.264 -1.490 743 HG13 VAL 101 3HG1 VAL 101 -2.748 -12.683 -2.110 744 HG21 VAL 101 1HG2 VAL 101 -1.897 -11.280 -0.180 745 HG22 VAL 101 2HG2 VAL 101 -3.457 -10.530 0.159 746 HG23 VAL 101 3HG2 VAL 101 -2.638 -11.463 1.411 747 H LEU 102 H LEU 102 -4.954 -13.581 -2.786 748 HA LEU 102 HA LEU 102 -6.739 -15.705 -1.794 749 HB2 LEU 102 1HB LEU 102 -6.534 -14.451 -4.520 750 HB3 LEU 102 2HB LEU 102 -7.368 -15.977 -4.230 751 HG LEU 102 HG LEU 102 -8.134 -13.442 -2.806 752 HD11 LEU 102 1HD1 LEU 102 -9.868 -13.122 -4.481 753 HD12 LEU 102 2HD1 LEU 102 -9.242 -14.483 -5.409 754 HD13 LEU 102 3HD1 LEU 102 -8.266 -13.028 -5.212 755 HD21 LEU 102 1HD2 LEU 102 -9.756 -15.892 -3.463 756 HD22 LEU 102 2HD2 LEU 102 -10.179 -14.574 -2.369 757 HD23 LEU 102 3HD2 LEU 102 -8.873 -15.684 -1.950 758 HA PRO 103 HA PRO 103 -3.656 -18.681 -2.747 759 HB2 PRO 103 1HB PRO 103 -5.185 -20.804 -3.470 760 HB3 PRO 103 2HB PRO 103 -5.045 -20.246 -1.798 761 HG2 PRO 103 1HG PRO 103 -7.213 -19.722 -3.794 762 HG3 PRO 103 2HG PRO 103 -7.351 -20.126 -2.073 763 HD2 PRO 103 1HD PRO 103 -7.600 -17.595 -2.999 764 HD3 PRO 103 2HD PRO 103 -6.919 -17.965 -1.402 765 H THR 104 H THR 104 -2.366 -18.678 -4.468 766 HA THR 104 HA THR 104 -2.750 -17.841 -6.969 767 HB THR 104 HB THR 104 -1.121 -20.267 -6.196 768 HG1 THR 104 1HG THR 104 0.186 -18.788 -5.454 769 HG21 THR 104 1HG2 THR 104 -0.786 -18.589 -8.678 770 HG22 THR 104 2HG2 THR 104 -1.687 -20.106 -8.657 771 HG23 THR 104 3HG2 THR 104 0.032 -20.096 -8.266 772 H TYR 105 H TYR 105 -3.795 -20.963 -5.747 773 HA TYR 105 HA TYR 105 -4.840 -21.695 -8.380 774 HB2 TYR 105 1HB TYR 105 -4.456 -23.238 -5.819 775 HB3 TYR 105 2HB TYR 105 -5.389 -23.879 -7.167 776 HD1 TYR 105 1HD TYR 105 -2.021 -22.728 -6.149 777 HD2 TYR 105 2HD TYR 105 -4.317 -24.823 -9.055 778 HE1 TYR 105 1HE TYR 105 0.053 -23.552 -7.184 779 HE2 TYR 105 2HE TYR 105 -2.250 -25.654 -10.097 780 HH TYR 105 HH TYR 105 0.059 -26.023 -9.571 781 H ASP 106 H ASP 106 -6.867 -21.237 -8.878 782 HA ASP 106 HA ASP 106 -8.739 -20.429 -6.816 783 HB2 ASP 106 1HB ASP 106 -10.249 -20.052 -8.856 784 HB3 ASP 106 2HB ASP 106 -8.816 -19.037 -8.715 785 H ALA 107 H ALA 107 -10.080 -21.789 -5.853 786 HA ALA 107 HA ALA 107 -10.437 -24.472 -6.855 787 HB1 ALA 107 1HB ALA 107 -11.702 -23.178 -4.443 788 HB2 ALA 107 2HB ALA 107 -11.600 -24.905 -4.792 789 HB3 ALA 107 3HB ALA 107 -10.134 -23.986 -4.444 790 H SER 108 H SER 108 -11.533 -23.864 -8.846 791 HA SER 108 HA SER 108 -14.151 -22.679 -8.698 792 HB2 SER 108 1HB SER 108 -14.228 -23.261 -11.151 793 HB3 SER 108 2HB SER 108 -12.867 -22.242 -10.680 794 HG SER 108 HG SER 108 -12.878 -24.760 -11.726 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -6.673 37.072 -7.081 2 HA2 GLY 1 1HA GLY 1 -6.111 34.489 -7.268 3 HA3 GLY 1 2HA GLY 1 -4.963 35.582 -6.510 4 H SER 2 H SER 2 -6.178 32.681 -6.109 5 HA SER 2 HA SER 2 -6.173 32.891 -3.175 6 HB2 SER 2 1HB SER 2 -7.878 31.111 -3.071 7 HB3 SER 2 2HB SER 2 -8.483 32.535 -3.916 8 HG SER 2 HG SER 2 -8.824 31.295 -5.562 9 H SER 3 H SER 3 -5.741 30.730 -2.129 10 HA SER 3 HA SER 3 -4.012 29.253 -1.738 11 HB2 SER 3 1HB SER 3 -4.227 27.239 -3.159 12 HB3 SER 3 2HB SER 3 -5.798 27.844 -2.634 13 HG SER 3 HG SER 3 -4.805 28.795 -5.056 14 H GLY 4 H GLY 4 -2.965 31.512 -2.965 15 HA2 GLY 4 1HA GLY 4 -1.359 30.777 -5.234 16 HA3 GLY 4 2HA GLY 4 -1.253 32.275 -4.321 17 H SER 5 H SER 5 0.256 32.485 -2.723 18 HA SER 5 HA SER 5 2.393 30.544 -2.739 19 HB2 SER 5 1HB SER 5 2.662 33.099 -2.707 20 HB3 SER 5 2HB SER 5 2.260 32.999 -0.993 21 HG SER 5 HG SER 5 4.278 31.363 -2.073 22 H SER 6 H SER 6 2.201 28.777 -1.532 23 HA SER 6 HA SER 6 1.890 28.981 1.306 24 HB2 SER 6 1HB SER 6 -0.124 27.629 1.532 25 HB3 SER 6 2HB SER 6 -0.483 29.070 0.580 26 HG SER 6 HG SER 6 -1.300 27.010 -0.259 27 H GLY 7 H GLY 7 2.307 26.976 2.401 28 HA2 GLY 7 1HA GLY 7 3.081 24.685 0.781 29 HA3 GLY 7 2HA GLY 7 4.390 25.495 1.629 30 H VAL 8 H VAL 8 1.376 23.723 2.038 31 HA VAL 8 HA VAL 8 2.255 23.021 4.763 32 HB VAL 8 HB VAL 8 0.250 24.493 4.770 33 HG11 VAL 8 1HG1 VAL 8 -1.869 23.684 3.958 34 HG12 VAL 8 2HG1 VAL 8 -0.699 23.665 2.636 35 HG13 VAL 8 3HG1 VAL 8 -1.136 22.162 3.452 36 HG21 VAL 8 1HG2 VAL 8 0.105 21.687 5.812 37 HG22 VAL 8 2HG2 VAL 8 0.454 23.179 6.685 38 HG23 VAL 8 3HG2 VAL 8 -1.187 22.844 6.132 39 H VAL 9 H VAL 9 1.885 20.898 5.453 40 HA VAL 9 HA VAL 9 1.682 18.969 3.274 41 HB VAL 9 HB VAL 9 2.574 18.729 6.139 42 HG11 VAL 9 1HG1 VAL 9 1.471 16.698 5.877 43 HG12 VAL 9 2HG1 VAL 9 1.901 16.573 4.170 44 HG13 VAL 9 3HG1 VAL 9 3.129 16.319 5.411 45 HG21 VAL 9 1HG2 VAL 9 3.974 18.273 3.506 46 HG22 VAL 9 2HG2 VAL 9 4.197 19.654 4.580 47 HG23 VAL 9 3HG2 VAL 9 4.692 18.043 5.101 48 H ASP 10 H ASP 10 -0.024 17.692 2.937 49 HA ASP 10 HA ASP 10 -2.052 17.469 5.059 50 HB2 ASP 10 1HB ASP 10 -2.410 18.211 2.176 51 HB3 ASP 10 2HB ASP 10 -3.701 17.373 3.032 52 HA PRO 11 HA PRO 11 -0.914 13.209 3.950 53 HB2 PRO 11 1HB PRO 11 -1.685 12.165 6.335 54 HB3 PRO 11 2HB PRO 11 -0.115 12.938 6.087 55 HG2 PRO 11 1HG PRO 11 -2.608 14.063 7.303 56 HG3 PRO 11 2HG PRO 11 -0.927 14.227 7.844 57 HD2 PRO 11 1HD PRO 11 -2.211 16.173 6.466 58 HD3 PRO 11 2HD PRO 11 -0.465 15.888 6.315 59 H SER 12 H SER 12 -3.811 14.804 4.422 60 HA SER 12 HA SER 12 -5.444 12.383 4.182 61 HB2 SER 12 1HB SER 12 -7.313 13.700 4.812 62 HB3 SER 12 2HB SER 12 -5.993 14.250 5.844 63 HG SER 12 HG SER 12 -5.888 16.107 4.757 64 H LYS 13 H LYS 13 -3.757 14.074 2.111 65 HA LYS 13 HA LYS 13 -5.867 14.177 0.056 66 HB2 LYS 13 1HB LYS 13 -3.212 15.615 -0.007 67 HB3 LYS 13 2HB LYS 13 -4.564 15.832 -1.110 68 HG2 LYS 13 1HG LYS 13 -5.035 16.326 1.778 69 HG3 LYS 13 2HG LYS 13 -4.091 17.510 0.870 70 HD2 LYS 13 1HD LYS 13 -6.179 18.353 0.508 71 HD3 LYS 13 2HD LYS 13 -6.094 17.227 -0.847 72 HE2 LYS 13 1HE LYS 13 -7.124 15.529 0.809 73 HE3 LYS 13 2HE LYS 13 -7.560 16.955 1.751 74 HZ1 LYS 13 1HZ LYS 13 -8.253 16.748 -1.112 75 HZ2 LYS 13 2HZ LYS 13 -8.948 17.730 0.077 76 HZ3 LYS 13 3HZ LYS 13 -9.245 16.064 0.077 77 H VAL 14 H VAL 14 -3.248 12.420 1.124 78 HA VAL 14 HA VAL 14 -2.234 11.633 -1.468 79 HB VAL 14 HB VAL 14 -0.576 11.622 0.192 80 HG11 VAL 14 1HG1 VAL 14 -1.807 11.740 2.196 81 HG12 VAL 14 2HG1 VAL 14 -2.586 10.183 1.903 82 HG13 VAL 14 3HG1 VAL 14 -0.871 10.250 2.309 83 HG21 VAL 14 1HG2 VAL 14 -0.818 9.523 -1.286 84 HG22 VAL 14 2HG2 VAL 14 0.280 9.456 0.094 85 HG23 VAL 14 3HG2 VAL 14 -1.318 8.717 0.201 86 H LYS 15 H LYS 15 -3.028 10.058 -2.688 87 HA LYS 15 HA LYS 15 -4.752 8.030 -1.422 88 HB2 LYS 15 1HB LYS 15 -5.054 9.502 -4.024 89 HB3 LYS 15 2HB LYS 15 -5.804 7.928 -3.792 90 HG2 LYS 15 1HG LYS 15 -6.732 9.064 -1.608 91 HG3 LYS 15 2HG LYS 15 -6.440 10.541 -2.529 92 HD2 LYS 15 1HD LYS 15 -7.722 9.349 -4.423 93 HD3 LYS 15 2HD LYS 15 -8.284 8.258 -3.155 94 HE2 LYS 15 1HE LYS 15 -9.132 10.215 -1.903 95 HE3 LYS 15 2HE LYS 15 -8.641 11.253 -3.241 96 HZ1 LYS 15 1HZ LYS 15 -10.186 10.159 -4.676 97 HZ2 LYS 15 2HZ LYS 15 -11.016 10.634 -3.281 98 HZ3 LYS 15 3HZ LYS 15 -10.575 9.015 -3.492 99 H ILE 16 H ILE 16 -4.995 6.063 -2.972 100 HA ILE 16 HA ILE 16 -2.542 5.467 -4.428 101 HB ILE 16 HB ILE 16 -2.118 3.393 -3.252 102 HG12 ILE 16 1HG1 ILE 16 -4.330 4.219 -1.360 103 HG13 ILE 16 2HG1 ILE 16 -4.471 2.957 -2.577 104 HG21 ILE 16 1HG2 ILE 16 -0.897 5.251 -2.420 105 HG22 ILE 16 2HG2 ILE 16 -2.279 5.830 -1.493 106 HG23 ILE 16 3HG2 ILE 16 -1.458 4.343 -1.017 107 HD11 ILE 16 1HD1 ILE 16 -2.976 2.961 -0.011 108 HD12 ILE 16 2HD1 ILE 16 -4.010 1.719 -0.719 109 HD13 ILE 16 3HD1 ILE 16 -2.382 1.973 -1.346 110 H ALA 17 H ALA 17 -2.845 4.089 -6.103 111 HA ALA 17 HA ALA 17 -5.313 2.523 -6.234 112 HB1 ALA 17 1HB ALA 17 -4.455 4.360 -8.465 113 HB2 ALA 17 2HB ALA 17 -5.884 3.327 -8.430 114 HB3 ALA 17 3HB ALA 17 -5.761 4.699 -7.329 115 H GLY 18 H GLY 18 -5.105 0.603 -7.284 116 HA2 GLY 18 1HA GLY 18 -3.440 -0.129 -9.320 117 HA3 GLY 18 2HA GLY 18 -2.439 -0.286 -7.884 118 HA PRO 19 HA PRO 19 -5.131 -4.115 -8.664 119 HB2 PRO 19 1HB PRO 19 -3.149 -5.801 -9.440 120 HB3 PRO 19 2HB PRO 19 -4.073 -4.815 -10.579 121 HG2 PRO 19 1HG PRO 19 -1.358 -4.325 -9.417 122 HG3 PRO 19 2HG PRO 19 -1.916 -4.107 -11.085 123 HD2 PRO 19 1HD PRO 19 -1.663 -2.042 -9.353 124 HD3 PRO 19 2HD PRO 19 -2.902 -2.076 -10.625 125 H GLY 20 H GLY 20 -1.955 -3.591 -7.225 126 HA2 GLY 20 1HA GLY 20 -1.714 -5.831 -5.619 127 HA3 GLY 20 2HA GLY 20 -1.095 -4.241 -5.196 128 H LEU 21 H LEU 21 -3.403 -2.796 -4.859 129 HA LEU 21 HA LEU 21 -4.261 -3.740 -2.289 130 HB2 LEU 21 1HB LEU 21 -5.338 -1.405 -3.857 131 HB3 LEU 21 2HB LEU 21 -5.466 -1.676 -2.120 132 HG LEU 21 HG LEU 21 -2.759 -1.397 -3.345 133 HD11 LEU 21 1HD1 LEU 21 -4.609 0.895 -2.706 134 HD12 LEU 21 2HD1 LEU 21 -3.983 0.465 -4.296 135 HD13 LEU 21 3HD1 LEU 21 -2.884 1.038 -3.042 136 HD21 LEU 21 1HD2 LEU 21 -2.643 -1.920 -1.087 137 HD22 LEU 21 2HD2 LEU 21 -4.044 -0.931 -0.681 138 HD23 LEU 21 3HD2 LEU 21 -2.510 -0.162 -1.090 139 H GLY 22 H GLY 22 -5.545 -3.749 -5.526 140 HA2 GLY 22 1HA GLY 22 -8.248 -4.014 -5.166 141 HA3 GLY 22 2HA GLY 22 -7.348 -4.882 -6.400 142 H SER 23 H SER 23 -9.557 -6.062 -5.430 143 HA SER 23 HA SER 23 -8.843 -7.848 -3.259 144 HB2 SER 23 1HB SER 23 -11.344 -7.589 -4.941 145 HB3 SER 23 2HB SER 23 -11.146 -8.783 -3.656 146 HG SER 23 HG SER 23 -10.610 -6.116 -3.041 147 H GLY 24 H GLY 24 -8.342 -7.759 -6.551 148 HA2 GLY 24 1HA GLY 24 -8.539 -10.651 -6.934 149 HA3 GLY 24 2HA GLY 24 -8.192 -9.459 -8.179 150 H VAL 25 H VAL 25 -6.658 -10.158 -5.043 151 HA VAL 25 HA VAL 25 -4.069 -10.234 -6.421 152 HB VAL 25 HB VAL 25 -4.737 -9.902 -3.495 153 HG11 VAL 25 1HG1 VAL 25 -2.725 -11.043 -3.401 154 HG12 VAL 25 2HG1 VAL 25 -2.130 -10.326 -4.901 155 HG13 VAL 25 3HG1 VAL 25 -2.202 -9.359 -3.427 156 HG21 VAL 25 1HG2 VAL 25 -3.208 -7.904 -5.070 157 HG22 VAL 25 2HG2 VAL 25 -4.945 -8.017 -5.352 158 HG23 VAL 25 3HG2 VAL 25 -4.335 -7.670 -3.734 159 H ARG 26 H ARG 26 -2.687 -11.963 -6.273 160 HA ARG 26 HA ARG 26 -3.786 -14.395 -5.021 161 HB2 ARG 26 1HB ARG 26 -2.052 -14.198 -7.492 162 HB3 ARG 26 2HB ARG 26 -2.646 -15.687 -6.770 163 HG2 ARG 26 1HG ARG 26 -4.956 -14.943 -7.218 164 HG3 ARG 26 2HG ARG 26 -4.308 -13.514 -8.025 165 HD2 ARG 26 1HD ARG 26 -3.546 -14.707 -9.826 166 HD3 ARG 26 2HD ARG 26 -3.342 -16.190 -8.894 167 HE ARG 26 HE ARG 26 -6.050 -15.733 -8.962 168 HH11 ARG 26 1HH1 ARG 26 -3.519 -16.202 -11.307 169 HH12 ARG 26 2HH1 ARG 26 -4.564 -16.927 -12.483 170 HH21 ARG 26 1HH2 ARG 26 -7.436 -16.687 -10.503 171 HH22 ARG 26 2HH2 ARG 26 -6.793 -17.203 -12.025 172 H ALA 27 H ALA 27 -2.354 -15.797 -3.977 173 HA ALA 27 HA ALA 27 -0.180 -14.552 -2.650 174 HB1 ALA 27 1HB ALA 27 -1.379 -16.232 -1.481 175 HB2 ALA 27 2HB ALA 27 -1.103 -17.415 -2.760 176 HB3 ALA 27 3HB ALA 27 0.243 -16.867 -1.760 177 H ARG 28 H ARG 28 2.043 -15.010 -2.762 178 HA ARG 28 HA ARG 28 4.024 -15.289 -3.847 179 HB2 ARG 28 1HB ARG 28 2.612 -17.661 -5.082 180 HB3 ARG 28 2HB ARG 28 4.352 -17.406 -5.027 181 HG2 ARG 28 1HG ARG 28 4.163 -17.417 -2.518 182 HG3 ARG 28 2HG ARG 28 2.497 -17.958 -2.730 183 HD2 ARG 28 1HD ARG 28 3.132 -20.005 -3.593 184 HD3 ARG 28 2HD ARG 28 4.709 -19.411 -4.111 185 HE ARG 28 HE ARG 28 4.764 -19.249 -1.382 186 HH11 ARG 28 1HH1 ARG 28 4.188 -21.779 -3.703 187 HH12 ARG 28 2HH1 ARG 28 4.813 -23.033 -2.684 188 HH21 ARG 28 1HH2 ARG 28 5.589 -20.892 -0.031 189 HH22 ARG 28 2HH2 ARG 28 5.608 -22.529 -0.596 190 H VAL 29 H VAL 29 2.283 -13.449 -5.023 191 HA VAL 29 HA VAL 29 3.094 -13.677 -7.840 192 HB VAL 29 HB VAL 29 0.385 -12.820 -6.825 193 HG11 VAL 29 1HG1 VAL 29 1.716 -12.351 -9.470 194 HG12 VAL 29 2HG1 VAL 29 -0.039 -12.469 -9.338 195 HG13 VAL 29 3HG1 VAL 29 0.830 -11.214 -8.456 196 HG21 VAL 29 1HG2 VAL 29 1.468 -15.206 -8.114 197 HG22 VAL 29 2HG2 VAL 29 -0.025 -14.990 -7.201 198 HG23 VAL 29 3HG2 VAL 29 0.033 -14.561 -8.910 199 H LEU 30 H LEU 30 3.587 -11.732 -8.878 200 HA LEU 30 HA LEU 30 4.653 -9.698 -7.216 201 HB2 LEU 30 1HB LEU 30 5.519 -10.361 -9.463 202 HB3 LEU 30 2HB LEU 30 4.120 -9.562 -10.178 203 HG LEU 30 HG LEU 30 4.952 -7.444 -9.019 204 HD11 LEU 30 1HD1 LEU 30 7.507 -9.037 -8.896 205 HD12 LEU 30 2HD1 LEU 30 6.517 -8.611 -7.500 206 HD13 LEU 30 3HD1 LEU 30 7.288 -7.344 -8.453 207 HD21 LEU 30 1HD2 LEU 30 7.059 -7.921 -10.906 208 HD22 LEU 30 2HD2 LEU 30 5.622 -6.912 -11.067 209 HD23 LEU 30 3HD2 LEU 30 5.551 -8.623 -11.493 210 H GLN 31 H GLN 31 3.509 -8.217 -6.176 211 HA GLN 31 HA GLN 31 1.131 -7.092 -7.505 212 HB2 GLN 31 1HB GLN 31 1.546 -7.362 -4.525 213 HB3 GLN 31 2HB GLN 31 0.092 -6.805 -5.343 214 HG2 GLN 31 1HG GLN 31 1.246 -9.579 -5.547 215 HG3 GLN 31 2HG GLN 31 -0.104 -9.105 -4.517 216 HE21 GLN 31 1HE2 GLN 31 -0.567 -11.091 -6.205 217 HE22 GLN 31 2HE2 GLN 31 -1.543 -10.582 -7.536 218 H SER 32 H SER 32 1.141 -4.967 -7.848 219 HA SER 32 HA SER 32 2.754 -3.221 -6.155 220 HB2 SER 32 1HB SER 32 4.245 -3.844 -8.015 221 HB3 SER 32 2HB SER 32 3.035 -3.287 -9.170 222 HG SER 32 HG SER 32 4.541 -1.658 -8.834 223 H PHE 33 H PHE 33 2.125 -1.030 -6.210 224 HA PHE 33 HA PHE 33 -0.272 -0.384 -7.764 225 HB2 PHE 33 1HB PHE 33 -1.225 0.708 -5.672 226 HB3 PHE 33 2HB PHE 33 -1.250 -1.052 -5.709 227 HD1 PHE 33 1HD PHE 33 0.895 -2.185 -4.650 228 HD2 PHE 33 2HD PHE 33 -0.489 1.742 -3.765 229 HE1 PHE 33 1HE PHE 33 2.103 -2.247 -2.507 230 HE2 PHE 33 2HE PHE 33 0.717 1.686 -1.620 231 HZ PHE 33 HZ PHE 33 2.015 -0.309 -0.990 232 H THR 34 H THR 34 -0.852 2.069 -7.085 233 HA THR 34 HA THR 34 1.676 3.578 -7.266 234 HB THR 34 HB THR 34 -0.945 4.230 -8.629 235 HG1 THR 34 1HG THR 34 1.525 3.172 -9.543 236 HG21 THR 34 1HG2 THR 34 0.650 5.920 -9.798 237 HG22 THR 34 2HG2 THR 34 1.646 5.709 -8.358 238 HG23 THR 34 3HG2 THR 34 -0.004 6.311 -8.208 239 H VAL 35 H VAL 35 1.946 5.252 -5.905 240 HA VAL 35 HA VAL 35 -0.341 5.995 -4.198 241 HB VAL 35 HB VAL 35 2.590 6.124 -3.478 242 HG11 VAL 35 1HG1 VAL 35 1.762 7.647 -2.034 243 HG12 VAL 35 2HG1 VAL 35 0.108 7.052 -2.189 244 HG13 VAL 35 3HG1 VAL 35 1.254 6.214 -1.141 245 HG21 VAL 35 1HG2 VAL 35 1.052 3.856 -3.664 246 HG22 VAL 35 2HG2 VAL 35 2.495 4.042 -2.667 247 HG23 VAL 35 3HG2 VAL 35 0.899 4.297 -1.964 248 H ASP 36 H ASP 36 -1.124 7.873 -4.917 249 HA ASP 36 HA ASP 36 0.671 9.901 -5.993 250 HB2 ASP 36 1HB ASP 36 -1.496 9.315 -7.123 251 HB3 ASP 36 2HB ASP 36 -2.339 10.007 -5.740 252 H SER 37 H SER 37 1.678 11.090 -4.501 253 HA SER 37 HA SER 37 0.081 12.127 -2.250 254 HB2 SER 37 1HB SER 37 2.107 12.203 -0.922 255 HB3 SER 37 2HB SER 37 1.929 10.580 -1.591 256 HG SER 37 HG SER 37 3.798 10.852 -2.483 257 H SER 38 H SER 38 0.644 13.165 -5.049 258 HA SER 38 HA SER 38 2.351 15.395 -4.890 259 HB2 SER 38 1HB SER 38 1.084 16.213 -6.892 260 HB3 SER 38 2HB SER 38 1.664 14.554 -7.046 261 HG SER 38 HG SER 38 -0.614 14.159 -6.070 262 H LYS 39 H LYS 39 -1.119 15.040 -4.305 263 HA LYS 39 HA LYS 39 -1.507 17.828 -3.740 264 HB2 LYS 39 1HB LYS 39 -3.284 15.441 -3.204 265 HB3 LYS 39 2HB LYS 39 -3.769 17.121 -3.024 266 HG2 LYS 39 1HG LYS 39 -3.026 17.294 -5.525 267 HG3 LYS 39 2HG LYS 39 -3.271 15.545 -5.501 268 HD2 LYS 39 1HD LYS 39 -5.396 17.298 -4.368 269 HD3 LYS 39 2HD LYS 39 -5.231 17.199 -6.123 270 HE2 LYS 39 1HE LYS 39 -6.847 15.569 -5.293 271 HE3 LYS 39 2HE LYS 39 -5.448 14.770 -6.012 272 HZ1 LYS 39 1HZ LYS 39 -6.428 14.073 -3.671 273 HZ2 LYS 39 2HZ LYS 39 -5.359 15.272 -3.139 274 HZ3 LYS 39 3HZ LYS 39 -4.778 13.953 -4.027 275 H ALA 40 H ALA 40 -0.303 15.184 -1.996 276 HA ALA 40 HA ALA 40 -1.138 16.046 0.617 277 HB1 ALA 40 1HB ALA 40 1.066 14.110 -0.068 278 HB2 ALA 40 2HB ALA 40 0.199 14.256 1.462 279 HB3 ALA 40 3HB ALA 40 -0.641 13.672 0.025 280 H GLY 41 H GLY 41 1.650 16.514 -1.455 281 HA2 GLY 41 1HA GLY 41 2.745 18.737 -0.972 282 HA3 GLY 41 2HA GLY 41 2.899 18.139 0.673 283 H LEU 42 H LEU 42 5.079 18.051 0.868 284 HA LEU 42 HA LEU 42 6.514 16.336 -1.052 285 HB2 LEU 42 1HB LEU 42 8.554 17.597 -0.376 286 HB3 LEU 42 2HB LEU 42 7.354 18.548 -1.249 287 HG LEU 42 HG LEU 42 8.574 19.580 0.792 288 HD11 LEU 42 1HD1 LEU 42 6.922 20.872 -0.190 289 HD12 LEU 42 2HD1 LEU 42 6.340 20.686 1.464 290 HD13 LEU 42 3HD1 LEU 42 5.650 19.704 0.170 291 HD21 LEU 42 1HD2 LEU 42 8.167 17.711 2.318 292 HD22 LEU 42 2HD2 LEU 42 6.428 17.971 2.175 293 HD23 LEU 42 3HD2 LEU 42 7.447 19.204 2.921 294 H ALA 43 H ALA 43 5.063 15.720 1.517 295 HA ALA 43 HA ALA 43 7.122 14.991 3.392 296 HB1 ALA 43 1HB ALA 43 5.270 15.299 4.630 297 HB2 ALA 43 2HB ALA 43 4.185 14.900 3.298 298 HB3 ALA 43 3HB ALA 43 4.950 13.611 4.228 299 HA PRO 44 HA PRO 44 8.167 11.010 1.857 300 HB2 PRO 44 1HB PRO 44 8.746 9.717 4.174 301 HB3 PRO 44 2HB PRO 44 9.796 10.956 3.477 302 HG2 PRO 44 1HG PRO 44 7.791 11.196 5.686 303 HG3 PRO 44 2HG PRO 44 9.426 11.875 5.580 304 HD2 PRO 44 1HD PRO 44 7.205 13.343 5.086 305 HD3 PRO 44 2HD PRO 44 8.747 13.634 4.255 306 H LEU 45 H LEU 45 7.607 8.694 2.014 307 HA LEU 45 HA LEU 45 4.908 8.263 3.110 308 HB2 LEU 45 1HB LEU 45 4.715 8.506 0.727 309 HB3 LEU 45 2HB LEU 45 6.021 7.351 0.464 310 HG LEU 45 HG LEU 45 4.333 5.752 1.766 311 HD11 LEU 45 1HD1 LEU 45 2.691 7.608 2.046 312 HD12 LEU 45 2HD1 LEU 45 2.049 6.187 1.222 313 HD13 LEU 45 3HD1 LEU 45 2.486 7.622 0.294 314 HD21 LEU 45 1HD2 LEU 45 4.851 4.841 -0.216 315 HD22 LEU 45 2HD2 LEU 45 4.824 6.393 -1.053 316 HD23 LEU 45 3HD2 LEU 45 3.317 5.527 -0.749 317 H GLU 46 H GLU 46 4.538 6.356 4.141 318 HA GLU 46 HA GLU 46 6.790 4.459 4.269 319 HB2 GLU 46 1HB GLU 46 5.069 5.600 6.433 320 HB3 GLU 46 2HB GLU 46 5.718 3.977 6.622 321 HG2 GLU 46 1HG GLU 46 7.933 4.741 6.604 322 HG3 GLU 46 2HG GLU 46 7.472 6.317 5.964 323 H VAL 47 H VAL 47 6.318 2.271 4.314 324 HA VAL 47 HA VAL 47 3.497 1.506 4.001 325 HB VAL 47 HB VAL 47 5.713 0.399 2.276 326 HG11 VAL 47 1HG1 VAL 47 3.039 0.077 1.276 327 HG12 VAL 47 2HG1 VAL 47 4.254 -1.150 1.637 328 HG13 VAL 47 3HG1 VAL 47 3.167 -0.582 2.906 329 HG21 VAL 47 1HG2 VAL 47 3.554 2.051 1.104 330 HG22 VAL 47 2HG2 VAL 47 4.819 2.899 1.995 331 HG23 VAL 47 3HG2 VAL 47 5.242 1.880 0.620 332 H ARG 48 H ARG 48 2.929 -0.443 4.877 333 HA ARG 48 HA ARG 48 5.005 -2.227 5.876 334 HB2 ARG 48 1HB ARG 48 3.043 -0.753 7.616 335 HB3 ARG 48 2HB ARG 48 3.729 -2.293 8.115 336 HG2 ARG 48 1HG ARG 48 5.993 -1.299 7.853 337 HG3 ARG 48 2HG ARG 48 5.219 0.255 7.534 338 HD2 ARG 48 1HD ARG 48 4.846 -1.383 10.038 339 HD3 ARG 48 2HD ARG 48 5.945 -0.013 9.886 340 HE ARG 48 HE ARG 48 3.220 0.596 9.196 341 HH11 ARG 48 1HH1 ARG 48 5.545 0.371 11.777 342 HH12 ARG 48 2HH1 ARG 48 4.703 1.481 12.807 343 HH21 ARG 48 1HH2 ARG 48 2.102 2.058 10.543 344 HH22 ARG 48 2HH2 ARG 48 2.744 2.439 12.105 345 H VAL 49 H VAL 49 4.434 -4.303 5.673 346 HA VAL 49 HA VAL 49 1.593 -4.902 5.159 347 HB VAL 49 HB VAL 49 4.021 -6.339 4.077 348 HG11 VAL 49 1HG1 VAL 49 1.630 -7.478 4.595 349 HG12 VAL 49 2HG1 VAL 49 1.349 -6.871 2.962 350 HG13 VAL 49 3HG1 VAL 49 2.692 -7.972 3.275 351 HG21 VAL 49 1HG2 VAL 49 2.348 -4.150 3.062 352 HG22 VAL 49 2HG2 VAL 49 3.990 -4.621 2.624 353 HG23 VAL 49 3HG2 VAL 49 2.612 -5.471 1.923 354 H LEU 50 H LEU 50 0.622 -6.205 6.561 355 HA LEU 50 HA LEU 50 2.303 -7.888 8.302 356 HB2 LEU 50 1HB LEU 50 -0.113 -6.240 8.818 357 HB3 LEU 50 2HB LEU 50 0.060 -7.746 9.718 358 HG LEU 50 HG LEU 50 0.890 -5.952 11.065 359 HD11 LEU 50 1HD1 LEU 50 3.435 -7.122 10.059 360 HD12 LEU 50 2HD1 LEU 50 2.206 -8.200 10.722 361 HD13 LEU 50 3HD1 LEU 50 2.867 -6.901 11.715 362 HD21 LEU 50 1HD2 LEU 50 2.639 -5.261 8.707 363 HD22 LEU 50 2HD2 LEU 50 2.774 -4.543 10.312 364 HD23 LEU 50 3HD2 LEU 50 1.311 -4.299 9.357 365 H GLY 51 H GLY 51 1.701 -10.006 8.685 366 HA2 GLY 51 1HA GLY 51 -0.004 -11.177 6.647 367 HA3 GLY 51 2HA GLY 51 1.003 -12.048 7.795 368 HA PRO 52 HA PRO 52 -3.582 -12.093 9.001 369 HB2 PRO 52 1HB PRO 52 -4.064 -14.714 8.481 370 HB3 PRO 52 2HB PRO 52 -4.302 -13.437 7.282 371 HG2 PRO 52 1HG PRO 52 -1.997 -15.319 7.613 372 HG3 PRO 52 2HG PRO 52 -2.819 -14.806 6.127 373 HD2 PRO 52 1HD PRO 52 -0.458 -13.747 6.927 374 HD3 PRO 52 2HD PRO 52 -1.671 -12.809 6.034 375 H ARG 53 H ARG 53 -0.907 -14.342 9.466 376 HA ARG 53 HA ARG 53 -1.954 -15.134 12.077 377 HB2 ARG 53 1HB ARG 53 0.627 -16.108 10.887 378 HB3 ARG 53 2HB ARG 53 -0.426 -16.912 12.043 379 HG2 ARG 53 1HG ARG 53 -1.093 -18.096 10.268 380 HG3 ARG 53 2HG ARG 53 -2.082 -16.678 9.910 381 HD2 ARG 53 1HD ARG 53 -0.275 -15.801 8.492 382 HD3 ARG 53 2HD ARG 53 0.676 -17.247 8.829 383 HE ARG 53 HE ARG 53 -1.433 -16.995 6.936 384 HH11 ARG 53 1HH1 ARG 53 0.078 -19.223 9.143 385 HH12 ARG 53 2HH1 ARG 53 -0.400 -20.631 8.255 386 HH21 ARG 53 1HH2 ARG 53 -2.068 -18.841 5.757 387 HH22 ARG 53 2HH2 ARG 53 -1.620 -20.413 6.328 388 H GLY 54 H GLY 54 0.514 -13.165 10.623 389 HA2 GLY 54 1HA GLY 54 1.150 -11.328 12.281 390 HA3 GLY 54 2HA GLY 54 1.695 -12.669 13.280 391 H LEU 55 H LEU 55 2.063 -12.737 9.817 392 HA LEU 55 HA LEU 55 4.942 -12.885 10.136 393 HB2 LEU 55 1HB LEU 55 3.987 -14.506 8.691 394 HB3 LEU 55 2HB LEU 55 3.096 -13.277 7.796 395 HG LEU 55 HG LEU 55 5.471 -12.407 7.163 396 HD11 LEU 55 1HD1 LEU 55 6.921 -14.567 6.877 397 HD12 LEU 55 2HD1 LEU 55 6.000 -15.121 8.276 398 HD13 LEU 55 3HD1 LEU 55 6.966 -13.649 8.382 399 HD21 LEU 55 1HD2 LEU 55 4.948 -14.954 5.781 400 HD22 LEU 55 2HD2 LEU 55 5.105 -13.319 5.135 401 HD23 LEU 55 3HD2 LEU 55 3.586 -13.837 5.870 402 H VAL 56 H VAL 56 6.434 -11.535 9.097 403 HA VAL 56 HA VAL 56 5.359 -8.894 8.358 404 HB VAL 56 HB VAL 56 8.086 -9.592 9.455 405 HG11 VAL 56 1HG1 VAL 56 8.490 -7.195 9.518 406 HG12 VAL 56 2HG1 VAL 56 8.156 -7.721 7.867 407 HG13 VAL 56 3HG1 VAL 56 6.908 -6.894 8.799 408 HG21 VAL 56 1HG2 VAL 56 5.570 -8.583 10.672 409 HG22 VAL 56 2HG2 VAL 56 6.787 -9.676 11.332 410 HG23 VAL 56 3HG2 VAL 56 7.099 -7.942 11.274 411 H GLU 57 H GLU 57 5.514 -8.341 6.294 412 HA GLU 57 HA GLU 57 7.558 -9.661 4.635 413 HB2 GLU 57 1HB GLU 57 4.939 -8.448 3.737 414 HB3 GLU 57 2HB GLU 57 6.085 -9.320 2.728 415 HG2 GLU 57 1HG GLU 57 4.474 -10.909 3.143 416 HG3 GLU 57 2HG GLU 57 5.688 -11.273 4.367 417 HA PRO 58 HA PRO 58 9.457 -5.744 3.979 418 HB2 PRO 58 1HB PRO 58 10.742 -6.279 1.648 419 HB3 PRO 58 2HB PRO 58 11.270 -6.924 3.207 420 HG2 PRO 58 1HG PRO 58 9.661 -8.247 1.058 421 HG3 PRO 58 2HG PRO 58 10.996 -8.906 2.021 422 HD2 PRO 58 1HD PRO 58 8.400 -9.445 2.571 423 HD3 PRO 58 2HD PRO 58 9.641 -9.338 3.835 424 H VAL 59 H VAL 59 9.634 -4.009 2.332 425 HA VAL 59 HA VAL 59 7.560 -4.068 0.268 426 HB VAL 59 HB VAL 59 6.887 -1.718 0.966 427 HG11 VAL 59 1HG1 VAL 59 5.294 -2.533 2.656 428 HG12 VAL 59 2HG1 VAL 59 5.419 -3.624 1.274 429 HG13 VAL 59 3HG1 VAL 59 6.223 -4.026 2.792 430 HG21 VAL 59 1HG2 VAL 59 7.900 -2.492 3.680 431 HG22 VAL 59 2HG2 VAL 59 8.910 -1.582 2.555 432 HG23 VAL 59 3HG2 VAL 59 7.372 -0.912 3.100 433 H ASN 60 H ASN 60 7.781 -2.363 -1.320 434 HA ASN 60 HA ASN 60 10.540 -1.342 -1.481 435 HB2 ASN 60 1HB ASN 60 10.021 -3.053 -3.182 436 HB3 ASN 60 2HB ASN 60 8.680 -2.067 -3.755 437 HD21 ASN 60 1HD2 ASN 60 9.080 -0.775 -5.395 438 HD22 ASN 60 2HD2 ASN 60 10.637 -0.219 -5.895 439 H VAL 61 H VAL 61 10.882 0.775 -2.021 440 HA VAL 61 HA VAL 61 8.515 2.448 -2.520 441 HB VAL 61 HB VAL 61 10.742 3.091 -0.583 442 HG11 VAL 61 1HG1 VAL 61 9.429 4.896 -2.119 443 HG12 VAL 61 2HG1 VAL 61 8.370 4.821 -0.710 444 HG13 VAL 61 3HG1 VAL 61 10.073 5.238 -0.514 445 HG21 VAL 61 1HG2 VAL 61 9.085 1.485 0.269 446 HG22 VAL 61 2HG2 VAL 61 9.020 3.025 1.124 447 HG23 VAL 61 3HG2 VAL 61 7.801 2.639 -0.090 448 H VAL 62 H VAL 62 8.829 3.143 -4.541 449 HA VAL 62 HA VAL 62 11.401 4.430 -5.164 450 HB VAL 62 HB VAL 62 9.818 2.670 -7.041 451 HG11 VAL 62 1HG1 VAL 62 12.483 3.564 -7.851 452 HG12 VAL 62 2HG1 VAL 62 10.984 3.476 -8.777 453 HG13 VAL 62 3HG1 VAL 62 11.295 4.861 -7.730 454 HG21 VAL 62 1HG2 VAL 62 11.658 1.152 -6.957 455 HG22 VAL 62 2HG2 VAL 62 12.617 2.276 -5.994 456 HG23 VAL 62 3HG2 VAL 62 11.190 1.509 -5.294 457 H ASP 63 H ASP 63 11.096 6.501 -5.603 458 HA ASP 63 HA ASP 63 8.491 7.562 -6.157 459 HB2 ASP 63 1HB ASP 63 10.399 8.679 -4.835 460 HB3 ASP 63 2HB ASP 63 11.070 9.094 -6.411 461 H ASN 64 H ASN 64 7.616 8.140 -8.059 462 HA ASN 64 HA ASN 64 8.820 7.228 -10.478 463 HB2 ASN 64 1HB ASN 64 6.299 8.767 -9.873 464 HB3 ASN 64 2HB ASN 64 6.793 8.396 -11.522 465 HD21 ASN 64 1HD2 ASN 64 6.134 6.895 -8.393 466 HD22 ASN 64 2HD2 ASN 64 5.520 5.413 -9.036 467 H GLY 65 H GLY 65 8.196 10.423 -9.075 468 HA2 GLY 65 1HA GLY 65 9.950 12.111 -9.419 469 HA3 GLY 65 2HA GLY 65 10.056 11.544 -11.079 470 H ASP 66 H ASP 66 7.054 11.312 -11.146 471 HA ASP 66 HA ASP 66 6.576 14.053 -11.972 472 HB2 ASP 66 1HB ASP 66 5.252 11.424 -12.428 473 HB3 ASP 66 2HB ASP 66 4.256 12.871 -12.551 474 H GLY 67 H GLY 67 5.370 11.749 -9.584 475 HA2 GLY 67 1HA GLY 67 4.799 13.390 -7.537 476 HA3 GLY 67 2HA GLY 67 3.407 13.636 -8.581 477 H THR 68 H THR 68 5.118 10.589 -8.216 478 HA THR 68 HA THR 68 3.069 9.528 -6.450 479 HB THR 68 HB THR 68 2.481 7.665 -7.912 480 HG1 THR 68 1HG THR 68 4.529 7.815 -9.140 481 HG21 THR 68 1HG2 THR 68 1.208 9.844 -7.986 482 HG22 THR 68 2HG2 THR 68 1.045 8.824 -9.415 483 HG23 THR 68 3HG2 THR 68 2.109 10.230 -9.452 484 H HIS 69 H HIS 69 3.526 7.033 -6.189 485 HA HIS 69 HA HIS 69 6.375 6.433 -6.340 486 HB2 HIS 69 1HB HIS 69 4.873 6.272 -3.720 487 HB3 HIS 69 2HB HIS 69 6.575 5.904 -3.988 488 HD1 HIS 69 1HD HIS 69 8.090 7.722 -3.306 489 HD2 HIS 69 2HD HIS 69 4.363 9.170 -4.434 490 HE1 HIS 69 1HE HIS 69 8.194 10.208 -2.935 491 HE2 HIS 69 2HE HIS 69 5.900 11.051 -3.544 492 H THR 70 H THR 70 6.735 4.352 -6.806 493 HA THR 70 HA THR 70 4.438 2.564 -6.947 494 HB THR 70 HB THR 70 7.240 2.359 -8.050 495 HG1 THR 70 1HG THR 70 4.664 2.842 -9.107 496 HG21 THR 70 1HG2 THR 70 6.588 0.254 -9.080 497 HG22 THR 70 2HG2 THR 70 5.009 0.339 -8.301 498 HG23 THR 70 3HG2 THR 70 6.462 0.134 -7.325 499 H VAL 71 H VAL 71 4.220 0.686 -5.817 500 HA VAL 71 HA VAL 71 6.348 0.000 -3.901 501 HB VAL 71 HB VAL 71 3.382 0.028 -3.319 502 HG11 VAL 71 1HG1 VAL 71 4.248 -1.803 -2.137 503 HG12 VAL 71 2HG1 VAL 71 5.744 -0.954 -1.746 504 HG13 VAL 71 3HG1 VAL 71 4.234 -0.483 -0.967 505 HG21 VAL 71 1HG2 VAL 71 4.466 1.613 -1.449 506 HG22 VAL 71 2HG2 VAL 71 5.595 1.912 -2.770 507 HG23 VAL 71 3HG2 VAL 71 3.873 2.217 -2.995 508 H THR 72 H THR 72 7.110 -1.835 -4.794 509 HA THR 72 HA THR 72 5.255 -3.837 -5.823 510 HB THR 72 HB THR 72 7.319 -5.054 -6.517 511 HG1 THR 72 1HG THR 72 8.669 -2.698 -5.651 512 HG21 THR 72 1HG2 THR 72 8.039 -3.343 -8.220 513 HG22 THR 72 2HG2 THR 72 6.982 -2.191 -7.402 514 HG23 THR 72 3HG2 THR 72 6.301 -3.638 -8.145 515 H TYR 73 H TYR 73 4.898 -5.807 -4.917 516 HA TYR 73 HA TYR 73 6.516 -6.871 -2.814 517 HB2 TYR 73 1HB TYR 73 5.194 -6.533 -0.953 518 HB3 TYR 73 2HB TYR 73 4.947 -5.012 -1.805 519 HD1 TYR 73 2HD TYR 73 3.425 -8.239 -0.912 520 HD2 TYR 73 1HD TYR 73 2.810 -4.453 -2.756 521 HE1 TYR 73 2HE TYR 73 0.996 -8.632 -0.901 522 HE2 TYR 73 1HE TYR 73 0.381 -4.837 -2.749 523 HH TYR 73 HH TYR 73 -1.275 -6.133 -1.796 524 H THR 74 H THR 74 5.687 -8.946 -2.016 525 HA THR 74 HA THR 74 3.628 -10.157 -3.719 526 HB THR 74 HB THR 74 6.383 -11.319 -3.266 527 HG1 THR 74 1HG THR 74 6.711 -10.860 -5.356 528 HG21 THR 74 1HG2 THR 74 4.444 -12.960 -3.171 529 HG22 THR 74 2HG2 THR 74 5.679 -13.281 -4.389 530 HG23 THR 74 3HG2 THR 74 4.144 -12.551 -4.860 531 HA PRO 75 HA PRO 75 2.435 -11.501 0.373 532 HB2 PRO 75 1HB PRO 75 0.138 -12.715 -0.415 533 HB3 PRO 75 2HB PRO 75 0.286 -10.963 -0.237 534 HG2 PRO 75 1HG PRO 75 0.432 -12.633 -2.716 535 HG3 PRO 75 2HG PRO 75 -0.397 -11.088 -2.456 536 HD2 PRO 75 1HD PRO 75 2.003 -11.262 -3.696 537 HD3 PRO 75 2HD PRO 75 1.539 -9.862 -2.707 538 H SER 76 H SER 76 4.154 -13.022 0.599 539 HA SER 76 HA SER 76 4.704 -15.348 -0.582 540 HB2 SER 76 1HB SER 76 5.323 -16.289 1.640 541 HB3 SER 76 2HB SER 76 5.897 -14.638 1.410 542 HG SER 76 HG SER 76 4.971 -14.741 3.421 543 H GLN 77 H GLN 77 2.178 -15.065 1.917 544 HA GLN 77 HA GLN 77 0.915 -17.465 0.767 545 HB2 GLN 77 1HB GLN 77 0.079 -17.996 3.024 546 HB3 GLN 77 2HB GLN 77 1.835 -17.991 2.953 547 HG2 GLN 77 1HG GLN 77 1.593 -15.535 3.769 548 HG3 GLN 77 2HG GLN 77 -0.010 -16.063 4.279 549 HE21 GLN 77 1HE2 GLN 77 1.077 -15.380 6.364 550 HE22 GLN 77 2HE2 GLN 77 1.893 -16.620 7.248 551 H GLU 78 H GLU 78 -1.424 -17.576 0.998 552 HA GLU 78 HA GLU 78 -2.637 -15.028 0.427 553 HB2 GLU 78 1HB GLU 78 -4.620 -16.285 -0.110 554 HB3 GLU 78 2HB GLU 78 -3.230 -17.114 -0.796 555 HG2 GLU 78 1HG GLU 78 -4.478 -18.837 0.097 556 HG3 GLU 78 2HG GLU 78 -3.279 -18.526 1.352 557 H GLY 79 H GLY 79 -4.942 -14.705 1.430 558 HA2 GLY 79 1HA GLY 79 -6.191 -15.162 3.553 559 HA3 GLY 79 2HA GLY 79 -4.640 -14.975 4.358 560 HA PRO 80 HA PRO 80 -6.996 -10.898 4.182 561 HB2 PRO 80 1HB PRO 80 -7.282 -10.587 6.865 562 HB3 PRO 80 2HB PRO 80 -8.468 -11.434 5.864 563 HG2 PRO 80 1HG PRO 80 -6.295 -12.561 7.587 564 HG3 PRO 80 2HG PRO 80 -7.973 -13.103 7.405 565 HD2 PRO 80 1HD PRO 80 -5.904 -14.322 6.153 566 HD3 PRO 80 2HD PRO 80 -7.529 -14.229 5.444 567 H TYR 81 H TYR 81 -4.889 -10.191 3.444 568 HA TYR 81 HA TYR 81 -2.805 -9.686 5.363 569 HB2 TYR 81 1HB TYR 81 -3.167 -9.304 2.436 570 HB3 TYR 81 2HB TYR 81 -1.987 -8.275 3.242 571 HD1 TYR 81 1HD TYR 81 -2.926 -11.878 3.616 572 HD2 TYR 81 2HD TYR 81 0.149 -9.040 2.840 573 HE1 TYR 81 1HE TYR 81 -1.277 -13.701 3.516 574 HE2 TYR 81 2HE TYR 81 1.805 -10.856 2.736 575 HH TYR 81 HH TYR 81 2.057 -13.112 2.568 576 H MET 82 H MET 82 -1.820 -7.421 5.422 577 HA MET 82 HA MET 82 -3.806 -5.289 5.294 578 HB2 MET 82 1HB MET 82 -3.909 -6.324 7.587 579 HB3 MET 82 2HB MET 82 -2.243 -5.817 7.824 580 HG2 MET 82 1HG MET 82 -2.795 -3.579 7.910 581 HG3 MET 82 2HG MET 82 -4.310 -3.815 7.042 582 HE1 MET 82 1HE MET 82 -2.344 -3.681 10.046 583 HE2 MET 82 2HE MET 82 -3.493 -3.611 11.381 584 HE3 MET 82 3HE MET 82 -2.872 -5.169 10.833 585 H VAL 83 H VAL 83 -2.892 -3.650 4.265 586 HA VAL 83 HA VAL 83 0.023 -3.287 4.492 587 HB VAL 83 HB VAL 83 -1.835 -2.429 2.270 588 HG11 VAL 83 1HG1 VAL 83 -0.207 -1.166 1.384 589 HG12 VAL 83 2HG1 VAL 83 0.463 -1.163 3.016 590 HG13 VAL 83 3HG1 VAL 83 1.055 -2.317 1.821 591 HG21 VAL 83 1HG2 VAL 83 -0.531 -4.887 2.780 592 HG22 VAL 83 2HG2 VAL 83 -1.443 -4.411 1.348 593 HG23 VAL 83 3HG2 VAL 83 0.294 -4.120 1.423 594 H SER 84 H SER 84 0.190 -1.904 6.203 595 HA SER 84 HA SER 84 -1.521 0.406 6.441 596 HB2 SER 84 1HB SER 84 0.991 -0.099 8.030 597 HB3 SER 84 2HB SER 84 -0.437 0.820 8.504 598 HG SER 84 HG SER 84 -1.173 -0.962 9.308 599 H VAL 85 H VAL 85 -0.980 2.534 6.106 600 HA VAL 85 HA VAL 85 1.670 3.105 4.976 601 HB VAL 85 HB VAL 85 -0.961 3.959 3.762 602 HG11 VAL 85 1HG1 VAL 85 0.289 5.831 3.369 603 HG12 VAL 85 2HG1 VAL 85 1.819 4.954 3.410 604 HG13 VAL 85 3HG1 VAL 85 0.780 4.850 1.989 605 HG21 VAL 85 1HG2 VAL 85 1.192 2.046 2.936 606 HG22 VAL 85 2HG2 VAL 85 -0.553 1.796 3.001 607 HG23 VAL 85 3HG2 VAL 85 0.147 2.809 1.737 608 H LYS 86 H LYS 86 2.458 5.163 5.355 609 HA LYS 86 HA LYS 86 0.779 6.955 6.973 610 HB2 LYS 86 1HB LYS 86 2.627 5.473 8.182 611 HB3 LYS 86 2HB LYS 86 3.684 6.757 7.609 612 HG2 LYS 86 1HG LYS 86 2.495 8.402 8.838 613 HG3 LYS 86 2HG LYS 86 1.197 7.269 9.219 614 HD2 LYS 86 1HD LYS 86 2.875 5.898 10.471 615 HD3 LYS 86 2HD LYS 86 4.041 7.198 10.218 616 HE2 LYS 86 1HE LYS 86 2.077 8.654 11.239 617 HE3 LYS 86 2HE LYS 86 1.631 7.107 11.957 618 HZ1 LYS 86 1HZ LYS 86 3.864 8.841 12.553 619 HZ2 LYS 86 2HZ LYS 86 4.266 7.202 12.446 620 HZ3 LYS 86 3HZ LYS 86 3.077 7.710 13.536 621 H TYR 87 H TYR 87 1.817 9.174 7.161 622 HA TYR 87 HA TYR 87 3.589 9.920 5.000 623 HB2 TYR 87 1HB TYR 87 1.099 9.838 4.180 624 HB3 TYR 87 2HB TYR 87 0.961 11.357 5.056 625 HD1 TYR 87 1HD TYR 87 3.128 9.696 2.507 626 HD2 TYR 87 2HD TYR 87 1.443 13.329 3.944 627 HE1 TYR 87 1HE TYR 87 4.063 10.889 0.571 628 HE2 TYR 87 2HE TYR 87 2.373 14.532 2.010 629 HH TYR 87 HH TYR 87 4.071 14.332 0.362 630 H ALA 88 H ALA 88 5.016 11.004 6.208 631 HA ALA 88 HA ALA 88 5.927 12.633 7.512 632 HB1 ALA 88 1HB ALA 88 5.056 14.735 7.350 633 HB2 ALA 88 2HB ALA 88 4.175 13.952 6.037 634 HB3 ALA 88 3HB ALA 88 3.398 14.189 7.603 635 H ASP 89 H ASP 89 4.953 10.432 8.842 636 HA ASP 89 HA ASP 89 4.479 9.686 10.939 637 HB2 ASP 89 1HB ASP 89 5.136 12.563 11.440 638 HB3 ASP 89 2HB ASP 89 4.475 11.592 12.754 639 H GLU 90 H GLU 90 2.341 10.421 9.146 640 HA GLU 90 HA GLU 90 0.215 10.700 11.133 641 HB2 GLU 90 1HB GLU 90 0.401 12.359 8.612 642 HB3 GLU 90 2HB GLU 90 -1.021 12.263 9.643 643 HG2 GLU 90 1HG GLU 90 1.555 13.038 10.895 644 HG3 GLU 90 2HG GLU 90 0.743 14.213 9.861 645 H GLU 91 H GLU 91 -0.697 8.746 10.930 646 HA GLU 91 HA GLU 91 -0.753 7.144 8.658 647 HB2 GLU 91 1HB GLU 91 -2.226 7.215 11.229 648 HB3 GLU 91 2HB GLU 91 -2.965 6.286 9.931 649 HG2 GLU 91 1HG GLU 91 -1.234 4.763 9.854 650 HG3 GLU 91 2HG GLU 91 -0.087 5.872 10.603 651 H ILE 92 H ILE 92 -1.600 7.649 6.753 652 HA ILE 92 HA ILE 92 -3.408 9.626 6.157 653 HB ILE 92 HB ILE 92 -3.870 8.445 4.050 654 HG12 ILE 92 1HG1 ILE 92 -2.207 6.201 5.211 655 HG13 ILE 92 2HG1 ILE 92 -3.960 6.157 5.055 656 HG21 ILE 92 1HG2 ILE 92 -1.859 9.755 4.191 657 HG22 ILE 92 2HG2 ILE 92 -0.993 8.416 4.943 658 HG23 ILE 92 3HG2 ILE 92 -1.522 8.292 3.266 659 HD11 ILE 92 1HD1 ILE 92 -1.920 5.601 3.099 660 HD12 ILE 92 2HD1 ILE 92 -3.649 5.252 3.060 661 HD13 ILE 92 3HD1 ILE 92 -3.054 6.822 2.521 662 HA PRO 93 HA PRO 93 -7.397 8.316 7.445 663 HB2 PRO 93 1HB PRO 93 -8.951 9.437 5.522 664 HB3 PRO 93 2HB PRO 93 -8.152 10.382 6.783 665 HG2 PRO 93 1HG PRO 93 -7.319 9.925 3.945 666 HG3 PRO 93 2HG PRO 93 -7.293 11.425 4.890 667 HD2 PRO 93 1HD PRO 93 -5.076 9.927 4.476 668 HD3 PRO 93 2HD PRO 93 -5.330 10.864 5.961 669 H ARG 94 H ARG 94 -5.863 6.981 4.874 670 HA ARG 94 HA ARG 94 -8.161 5.269 4.181 671 HB2 ARG 94 1HB ARG 94 -5.775 6.114 2.542 672 HB3 ARG 94 2HB ARG 94 -6.797 4.756 2.089 673 HG2 ARG 94 1HG ARG 94 -8.549 6.087 1.502 674 HG3 ARG 94 2HG ARG 94 -8.113 7.354 2.651 675 HD2 ARG 94 1HD ARG 94 -6.261 6.810 0.391 676 HD3 ARG 94 2HD ARG 94 -7.772 7.648 0.039 677 HE ARG 94 HE ARG 94 -5.512 8.673 1.522 678 HH11 ARG 94 1HH1 ARG 94 -8.892 9.017 0.762 679 HH12 ARG 94 2HH1 ARG 94 -8.951 10.694 1.190 680 HH21 ARG 94 1HH2 ARG 94 -5.577 10.881 2.089 681 HH22 ARG 94 2HH2 ARG 94 -7.065 11.754 1.944 682 H SER 95 H SER 95 -5.473 5.335 6.023 683 HA SER 95 HA SER 95 -4.904 2.473 5.610 684 HB2 SER 95 1HB SER 95 -2.816 3.355 5.288 685 HB3 SER 95 2HB SER 95 -3.156 4.788 6.260 686 HG SER 95 HG SER 95 -2.592 3.738 8.043 687 HA PRO 96 HA PRO 96 -3.414 1.105 6.853 688 HB2 PRO 96 1HB PRO 96 -4.265 -1.321 7.724 689 HB3 PRO 96 2HB PRO 96 -3.131 -0.318 8.635 690 HG2 PRO 96 1HG PRO 96 -6.083 -0.653 9.004 691 HG3 PRO 96 2HG PRO 96 -4.802 -0.590 10.229 692 HD2 PRO 96 1HD PRO 96 -6.374 1.538 9.655 693 HD3 PRO 96 2HD PRO 96 -4.683 1.710 10.169 694 H PHE 97 H PHE 97 -3.765 -0.734 5.305 695 HA PHE 97 HA PHE 97 -6.403 -0.455 4.029 696 HB2 PHE 97 1HB PHE 97 -3.681 -1.042 2.863 697 HB3 PHE 97 2HB PHE 97 -5.174 -1.233 1.950 698 HD1 PHE 97 1HD PHE 97 -6.509 0.714 1.330 699 HD2 PHE 97 2HD PHE 97 -2.793 1.122 3.364 700 HE1 PHE 97 1HE PHE 97 -6.443 3.097 0.722 701 HE2 PHE 97 2HE PHE 97 -2.721 3.507 2.760 702 HZ PHE 97 HZ PHE 97 -4.548 4.497 1.438 703 H LYS 98 H LYS 98 -7.564 -2.241 3.444 704 HA LYS 98 HA LYS 98 -6.631 -4.788 4.561 705 HB2 LYS 98 1HB LYS 98 -8.985 -5.480 4.464 706 HB3 LYS 98 2HB LYS 98 -8.787 -3.992 5.383 707 HG2 LYS 98 1HG LYS 98 -9.310 -2.906 3.024 708 HG3 LYS 98 2HG LYS 98 -10.119 -4.455 2.775 709 HD2 LYS 98 1HD LYS 98 -10.595 -2.810 5.243 710 HD3 LYS 98 2HD LYS 98 -11.496 -2.521 3.752 711 HE2 LYS 98 1HE LYS 98 -11.323 -5.302 4.805 712 HE3 LYS 98 2HE LYS 98 -12.399 -4.161 5.610 713 HZ1 LYS 98 1HZ LYS 98 -13.846 -4.251 3.936 714 HZ2 LYS 98 2HZ LYS 98 -13.019 -5.634 3.422 715 HZ3 LYS 98 3HZ LYS 98 -12.646 -4.127 2.750 716 H VAL 99 H VAL 99 -5.619 -6.042 3.136 717 HA VAL 99 HA VAL 99 -6.732 -6.237 0.413 718 HB VAL 99 HB VAL 99 -3.852 -6.586 1.258 719 HG11 VAL 99 1HG1 VAL 99 -4.973 -7.949 -0.731 720 HG12 VAL 99 2HG1 VAL 99 -4.657 -6.442 -1.592 721 HG13 VAL 99 3HG1 VAL 99 -3.329 -7.320 -0.830 722 HG21 VAL 99 1HG2 VAL 99 -4.032 -4.315 1.194 723 HG22 VAL 99 2HG2 VAL 99 -3.745 -4.618 -0.519 724 HG23 VAL 99 3HG2 VAL 99 -5.386 -4.342 0.065 725 H LYS 100 H LYS 100 -7.963 -8.033 0.508 726 HA LYS 100 HA LYS 100 -7.125 -10.376 1.967 727 HB2 LYS 100 1HB LYS 100 -9.516 -9.647 1.755 728 HB3 LYS 100 2HB LYS 100 -9.445 -10.085 0.052 729 HG2 LYS 100 1HG LYS 100 -8.689 -12.402 0.950 730 HG3 LYS 100 2HG LYS 100 -9.412 -11.845 2.461 731 HD2 LYS 100 1HD LYS 100 -11.518 -11.399 1.246 732 HD3 LYS 100 2HD LYS 100 -10.784 -12.054 -0.220 733 HE2 LYS 100 1HE LYS 100 -10.937 -13.640 2.325 734 HE3 LYS 100 2HE LYS 100 -12.268 -13.609 1.170 735 HZ1 LYS 100 1HZ LYS 100 -11.170 -15.342 0.292 736 HZ2 LYS 100 2HZ LYS 100 -9.686 -14.912 0.983 737 HZ3 LYS 100 3HZ LYS 100 -10.210 -14.152 -0.435 738 H VAL 101 H VAL 101 -5.394 -11.383 1.100 739 HA VAL 101 HA VAL 101 -4.969 -11.638 -1.713 740 HB VAL 101 HB VAL 101 -3.645 -13.152 0.541 741 HG11 VAL 101 1HG1 VAL 101 -2.858 -12.744 -2.340 742 HG12 VAL 101 2HG1 VAL 101 -1.808 -13.438 -1.104 743 HG13 VAL 101 3HG1 VAL 101 -3.299 -14.264 -1.563 744 HG21 VAL 101 1HG2 VAL 101 -3.580 -10.488 0.283 745 HG22 VAL 101 2HG2 VAL 101 -2.207 -11.430 0.862 746 HG23 VAL 101 3HG2 VAL 101 -2.275 -10.915 -0.823 747 H LEU 102 H LEU 102 -5.099 -13.484 -3.002 748 HA LEU 102 HA LEU 102 -6.849 -15.604 -1.941 749 HB2 LEU 102 1HB LEU 102 -6.656 -14.370 -4.670 750 HB3 LEU 102 2HB LEU 102 -7.418 -15.937 -4.411 751 HG LEU 102 HG LEU 102 -8.315 -13.404 -3.047 752 HD11 LEU 102 1HD1 LEU 102 -10.038 -13.203 -4.681 753 HD12 LEU 102 2HD1 LEU 102 -9.550 -14.703 -5.468 754 HD13 LEU 102 3HD1 LEU 102 -8.498 -13.288 -5.537 755 HD21 LEU 102 1HD2 LEU 102 -9.606 -16.107 -3.404 756 HD22 LEU 102 2HD2 LEU 102 -10.360 -14.703 -2.648 757 HD23 LEU 102 3HD2 LEU 102 -8.946 -15.453 -1.906 758 HA PRO 103 HA PRO 103 -3.784 -18.622 -2.814 759 HB2 PRO 103 1HB PRO 103 -5.316 -20.746 -3.528 760 HB3 PRO 103 2HB PRO 103 -5.197 -20.163 -1.864 761 HG2 PRO 103 1HG PRO 103 -7.332 -19.656 -3.900 762 HG3 PRO 103 2HG PRO 103 -7.498 -20.033 -2.176 763 HD2 PRO 103 1HD PRO 103 -7.716 -17.514 -3.143 764 HD3 PRO 103 2HD PRO 103 -7.061 -17.864 -1.530 765 H THR 104 H THR 104 -2.466 -18.707 -4.512 766 HA THR 104 HA THR 104 -2.810 -17.890 -7.034 767 HB THR 104 HB THR 104 -1.199 -20.299 -6.180 768 HG1 THR 104 1HG THR 104 -0.741 -18.079 -5.358 769 HG21 THR 104 1HG2 THR 104 -0.001 -20.159 -8.244 770 HG22 THR 104 2HG2 THR 104 -0.880 -18.707 -8.722 771 HG23 THR 104 3HG2 THR 104 -1.716 -20.257 -8.638 772 H TYR 105 H TYR 105 -4.001 -20.901 -5.734 773 HA TYR 105 HA TYR 105 -4.975 -21.705 -8.382 774 HB2 TYR 105 1HB TYR 105 -4.770 -23.241 -5.785 775 HB3 TYR 105 2HB TYR 105 -5.485 -23.884 -7.260 776 HD1 TYR 105 1HD TYR 105 -2.326 -22.598 -5.804 777 HD2 TYR 105 2HD TYR 105 -4.135 -24.817 -8.951 778 HE1 TYR 105 1HE TYR 105 -0.104 -23.341 -6.550 779 HE2 TYR 105 2HE TYR 105 -1.918 -25.568 -9.705 780 HH TYR 105 HH TYR 105 0.982 -24.879 -7.857 781 H ASP 106 H ASP 106 -7.136 -22.034 -8.801 782 HA ASP 106 HA ASP 106 -8.988 -20.916 -6.805 783 HB2 ASP 106 1HB ASP 106 -10.450 -20.331 -8.664 784 HB3 ASP 106 2HB ASP 106 -8.841 -19.666 -8.933 785 H ALA 107 H ALA 107 -10.332 -22.279 -5.847 786 HA ALA 107 HA ALA 107 -10.909 -24.847 -7.169 787 HB1 ALA 107 1HB ALA 107 -10.333 -24.118 -4.370 788 HB2 ALA 107 2HB ALA 107 -11.598 -25.323 -4.614 789 HB3 ALA 107 3HB ALA 107 -9.980 -25.603 -5.256 790 H SER 108 H SER 108 -12.630 -23.759 -8.354 791 HA SER 108 HA SER 108 -14.740 -22.859 -8.622 792 HB2 SER 108 1HB SER 108 -14.844 -25.454 -8.191 793 HB3 SER 108 2HB SER 108 -15.663 -24.969 -6.706 794 HG SER 108 HG SER 108 -16.518 -23.789 -9.080 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -1.074 35.493 9.035 2 HA2 GLY 1 1HA GLY 1 0.421 33.083 8.516 3 HA3 GLY 1 2HA GLY 1 -0.867 33.368 7.355 4 H SER 2 H SER 2 0.878 33.473 5.784 5 HA SER 2 HA SER 2 1.676 36.196 5.317 6 HB2 SER 2 1HB SER 2 4.085 35.778 5.208 7 HB3 SER 2 2HB SER 2 3.478 35.428 6.827 8 HG SER 2 HG SER 2 3.265 33.168 5.743 9 H SER 3 H SER 3 1.527 36.559 3.208 10 HA SER 3 HA SER 3 0.878 34.552 1.360 11 HB2 SER 3 1HB SER 3 1.722 37.426 1.067 12 HB3 SER 3 2HB SER 3 1.433 36.415 -0.349 13 HG SER 3 HG SER 3 -0.527 37.205 0.013 14 H GLY 4 H GLY 4 2.035 33.650 -0.368 15 HA2 GLY 4 1HA GLY 4 4.497 34.051 -1.339 16 HA3 GLY 4 2HA GLY 4 4.862 33.283 0.199 17 H SER 5 H SER 5 5.448 31.255 -0.191 18 HA SER 5 HA SER 5 4.143 29.756 -2.331 19 HB2 SER 5 1HB SER 5 6.570 29.672 -2.303 20 HB3 SER 5 2HB SER 5 6.564 29.117 -0.630 21 HG SER 5 HG SER 5 5.444 27.234 -1.380 22 H SER 6 H SER 6 2.892 27.980 -2.018 23 HA SER 6 HA SER 6 1.621 27.664 0.503 24 HB2 SER 6 1HB SER 6 0.512 27.250 -1.698 25 HB3 SER 6 2HB SER 6 1.502 25.803 -1.882 26 HG SER 6 HG SER 6 0.516 25.385 0.380 27 H GLY 7 H GLY 7 3.179 27.103 2.027 28 HA2 GLY 7 1HA GLY 7 4.549 24.527 1.624 29 HA3 GLY 7 2HA GLY 7 5.026 25.764 2.778 30 H VAL 8 H VAL 8 2.298 23.599 2.040 31 HA VAL 8 HA VAL 8 2.077 23.057 4.924 32 HB VAL 8 HB VAL 8 0.278 24.609 4.320 33 HG11 VAL 8 1HG1 VAL 8 -1.493 23.894 2.765 34 HG12 VAL 8 2HG1 VAL 8 0.066 24.094 1.962 35 HG13 VAL 8 3HG1 VAL 8 -0.530 22.478 2.344 36 HG21 VAL 8 1HG2 VAL 8 -0.355 23.218 6.068 37 HG22 VAL 8 2HG2 VAL 8 -1.670 23.011 4.912 38 HG23 VAL 8 3HG2 VAL 8 -0.409 21.785 5.042 39 H VAL 9 H VAL 9 1.541 20.971 5.487 40 HA VAL 9 HA VAL 9 1.568 19.026 3.278 41 HB VAL 9 HB VAL 9 2.424 18.735 6.157 42 HG11 VAL 9 1HG1 VAL 9 1.907 16.679 4.047 43 HG12 VAL 9 2HG1 VAL 9 3.154 16.410 5.267 44 HG13 VAL 9 3HG1 VAL 9 1.477 16.660 5.757 45 HG21 VAL 9 1HG2 VAL 9 3.942 19.852 4.455 46 HG22 VAL 9 2HG2 VAL 9 4.614 18.472 5.324 47 HG23 VAL 9 3HG2 VAL 9 4.045 18.278 3.666 48 H ASP 10 H ASP 10 -0.077 17.632 3.013 49 HA ASP 10 HA ASP 10 -2.097 17.425 5.139 50 HB2 ASP 10 1HB ASP 10 -2.628 18.991 3.079 51 HB3 ASP 10 2HB ASP 10 -2.988 17.459 2.287 52 HA PRO 11 HA PRO 11 -0.919 13.181 4.010 53 HB2 PRO 11 1HB PRO 11 -1.652 12.124 6.401 54 HB3 PRO 11 2HB PRO 11 -0.094 12.918 6.138 55 HG2 PRO 11 1HG PRO 11 -2.589 14.009 7.382 56 HG3 PRO 11 2HG PRO 11 -0.905 14.193 7.906 57 HD2 PRO 11 1HD PRO 11 -2.228 16.125 6.545 58 HD3 PRO 11 2HD PRO 11 -0.480 15.863 6.375 59 H SER 12 H SER 12 -3.819 14.746 4.449 60 HA SER 12 HA SER 12 -5.432 12.306 4.259 61 HB2 SER 12 1HB SER 12 -7.328 13.645 4.829 62 HB3 SER 12 2HB SER 12 -6.024 14.139 5.909 63 HG SER 12 HG SER 12 -6.506 16.059 5.190 64 H LYS 13 H LYS 13 -3.778 14.042 2.172 65 HA LYS 13 HA LYS 13 -5.889 14.077 0.117 66 HB2 LYS 13 1HB LYS 13 -3.251 15.551 0.058 67 HB3 LYS 13 2HB LYS 13 -4.584 15.724 -1.078 68 HG2 LYS 13 1HG LYS 13 -4.940 16.326 1.835 69 HG3 LYS 13 2HG LYS 13 -4.273 17.521 0.720 70 HD2 LYS 13 1HD LYS 13 -6.486 18.062 0.569 71 HD3 LYS 13 2HD LYS 13 -6.402 16.839 -0.703 72 HE2 LYS 13 1HE LYS 13 -7.499 15.259 0.560 73 HE3 LYS 13 2HE LYS 13 -7.009 15.986 2.089 74 HZ1 LYS 13 1HZ LYS 13 -9.280 16.441 1.876 75 HZ2 LYS 13 2HZ LYS 13 -9.146 16.875 0.246 76 HZ3 LYS 13 3HZ LYS 13 -8.520 17.891 1.446 77 H VAL 14 H VAL 14 -3.198 12.403 1.188 78 HA VAL 14 HA VAL 14 -2.236 11.570 -1.414 79 HB VAL 14 HB VAL 14 -0.510 11.643 0.154 80 HG11 VAL 14 1HG1 VAL 14 -2.423 10.301 2.045 81 HG12 VAL 14 2HG1 VAL 14 -0.693 10.424 2.371 82 HG13 VAL 14 3HG1 VAL 14 -1.664 11.886 2.196 83 HG21 VAL 14 1HG2 VAL 14 0.301 9.403 0.330 84 HG22 VAL 14 2HG2 VAL 14 -1.334 8.744 0.234 85 HG23 VAL 14 3HG2 VAL 14 -0.613 9.524 -1.174 86 H LYS 15 H LYS 15 -3.108 9.995 -2.571 87 HA LYS 15 HA LYS 15 -4.686 7.930 -1.180 88 HB2 LYS 15 1HB LYS 15 -5.091 9.012 -3.975 89 HB3 LYS 15 2HB LYS 15 -6.047 7.745 -3.218 90 HG2 LYS 15 1HG LYS 15 -7.153 9.204 -1.844 91 HG3 LYS 15 2HG LYS 15 -5.844 10.388 -1.866 92 HD2 LYS 15 1HD LYS 15 -7.358 11.456 -3.208 93 HD3 LYS 15 2HD LYS 15 -6.484 10.523 -4.427 94 HE2 LYS 15 1HE LYS 15 -8.841 9.277 -3.103 95 HE3 LYS 15 2HE LYS 15 -9.124 10.529 -4.312 96 HZ1 LYS 15 1HZ LYS 15 -8.606 9.135 -5.946 97 HZ2 LYS 15 2HZ LYS 15 -8.691 7.885 -4.811 98 HZ3 LYS 15 3HZ LYS 15 -7.200 8.597 -5.174 99 H ILE 16 H ILE 16 -4.932 5.917 -2.670 100 HA ILE 16 HA ILE 16 -2.521 5.356 -4.207 101 HB ILE 16 HB ILE 16 -1.964 3.346 -2.999 102 HG12 ILE 16 1HG1 ILE 16 -4.249 4.072 -1.153 103 HG13 ILE 16 2HG1 ILE 16 -4.215 2.713 -2.271 104 HG21 ILE 16 1HG2 ILE 16 -2.253 5.716 -1.159 105 HG22 ILE 16 2HG2 ILE 16 -1.221 4.319 -0.856 106 HG23 ILE 16 3HG2 ILE 16 -0.896 5.372 -2.232 107 HD11 ILE 16 1HD1 ILE 16 -2.705 3.093 0.278 108 HD12 ILE 16 2HD1 ILE 16 -3.729 1.748 -0.228 109 HD13 ILE 16 3HD1 ILE 16 -2.136 1.967 -0.954 110 H ALA 17 H ALA 17 -2.869 3.976 -5.861 111 HA ALA 17 HA ALA 17 -5.272 2.304 -5.849 112 HB1 ALA 17 1HB ALA 17 -5.854 3.044 -8.136 113 HB2 ALA 17 2HB ALA 17 -6.004 4.327 -6.935 114 HB3 ALA 17 3HB ALA 17 -4.613 4.292 -8.018 115 H GLY 18 H GLY 18 -5.240 0.609 -7.458 116 HA2 GLY 18 1HA GLY 18 -3.643 -0.158 -9.377 117 HA3 GLY 18 2HA GLY 18 -2.489 -0.224 -8.053 118 HA PRO 19 HA PRO 19 -4.833 -4.287 -8.505 119 HB2 PRO 19 1HB PRO 19 -2.682 -5.822 -9.127 120 HB3 PRO 19 2HB PRO 19 -3.663 -5.002 -10.349 121 HG2 PRO 19 1HG PRO 19 -1.039 -4.183 -9.163 122 HG3 PRO 19 2HG PRO 19 -1.570 -4.126 -10.854 123 HD2 PRO 19 1HD PRO 19 -1.558 -1.940 -9.257 124 HD3 PRO 19 2HD PRO 19 -2.754 -2.173 -10.548 125 H GLY 20 H GLY 20 -1.707 -3.444 -7.081 126 HA2 GLY 20 1HA GLY 20 -1.382 -5.540 -5.298 127 HA3 GLY 20 2HA GLY 20 -0.822 -3.898 -5.012 128 H LEU 21 H LEU 21 -3.696 -2.969 -5.208 129 HA LEU 21 HA LEU 21 -4.451 -3.727 -2.467 130 HB2 LEU 21 1HB LEU 21 -5.313 -1.260 -3.957 131 HB3 LEU 21 2HB LEU 21 -5.491 -1.597 -2.237 132 HG LEU 21 HG LEU 21 -2.764 -1.386 -3.453 133 HD11 LEU 21 1HD1 LEU 21 -2.932 1.057 -2.606 134 HD12 LEU 21 2HD1 LEU 21 -4.666 0.838 -2.843 135 HD13 LEU 21 3HD1 LEU 21 -3.559 0.649 -4.203 136 HD21 LEU 21 1HD2 LEU 21 -3.193 -2.221 -1.110 137 HD22 LEU 21 2HD2 LEU 21 -3.765 -0.597 -0.725 138 HD23 LEU 21 3HD2 LEU 21 -2.098 -0.846 -1.246 139 H GLY 22 H GLY 22 -5.424 -3.777 -5.754 140 HA2 GLY 22 1HA GLY 22 -8.215 -3.810 -5.520 141 HA3 GLY 22 2HA GLY 22 -7.297 -4.589 -6.800 142 H SER 23 H SER 23 -9.617 -5.728 -5.936 143 HA SER 23 HA SER 23 -9.052 -7.739 -3.941 144 HB2 SER 23 1HB SER 23 -11.431 -6.994 -5.602 145 HB3 SER 23 2HB SER 23 -11.375 -8.587 -4.846 146 HG SER 23 HG SER 23 -11.940 -7.640 -3.072 147 H GLY 24 H GLY 24 -7.806 -7.473 -6.817 148 HA2 GLY 24 1HA GLY 24 -8.256 -10.282 -7.605 149 HA3 GLY 24 2HA GLY 24 -7.747 -9.007 -8.704 150 H VAL 25 H VAL 25 -6.518 -9.822 -5.477 151 HA VAL 25 HA VAL 25 -3.838 -10.055 -6.651 152 HB VAL 25 HB VAL 25 -4.726 -9.563 -3.809 153 HG11 VAL 25 1HG1 VAL 25 -1.969 -10.061 -4.915 154 HG12 VAL 25 2HG1 VAL 25 -2.272 -9.319 -3.343 155 HG13 VAL 25 3HG1 VAL 25 -2.810 -10.970 -3.659 156 HG21 VAL 25 1HG2 VAL 25 -3.111 -7.854 -5.699 157 HG22 VAL 25 2HG2 VAL 25 -4.831 -7.647 -5.372 158 HG23 VAL 25 3HG2 VAL 25 -3.655 -7.414 -4.080 159 H ARG 26 H ARG 26 -2.543 -11.834 -6.308 160 HA ARG 26 HA ARG 26 -3.821 -14.151 -5.013 161 HB2 ARG 26 1HB ARG 26 -2.182 -14.100 -7.551 162 HB3 ARG 26 2HB ARG 26 -2.656 -15.571 -6.712 163 HG2 ARG 26 1HG ARG 26 -5.040 -14.862 -7.011 164 HG3 ARG 26 2HG ARG 26 -4.449 -13.565 -8.052 165 HD2 ARG 26 1HD ARG 26 -3.687 -15.050 -9.676 166 HD3 ARG 26 2HD ARG 26 -3.666 -16.411 -8.555 167 HE ARG 26 HE ARG 26 -6.289 -15.741 -8.687 168 HH11 ARG 26 1HH1 ARG 26 -3.864 -16.471 -11.077 169 HH12 ARG 26 2HH1 ARG 26 -4.994 -17.135 -12.211 170 HH21 ARG 26 1HH2 ARG 26 -7.787 -16.614 -10.171 171 HH22 ARG 26 2HH2 ARG 26 -7.225 -17.214 -11.694 172 H ALA 27 H ALA 27 -2.372 -15.725 -4.108 173 HA ALA 27 HA ALA 27 -0.163 -14.527 -2.753 174 HB1 ALA 27 1HB ALA 27 -1.657 -16.285 -1.788 175 HB2 ALA 27 2HB ALA 27 -0.868 -17.454 -2.846 176 HB3 ALA 27 3HB ALA 27 0.068 -16.609 -1.613 177 H ARG 28 H ARG 28 2.038 -15.096 -2.872 178 HA ARG 28 HA ARG 28 3.998 -15.486 -3.959 179 HB2 ARG 28 1HB ARG 28 2.412 -17.758 -5.168 180 HB3 ARG 28 2HB ARG 28 4.161 -17.593 -5.242 181 HG2 ARG 28 1HG ARG 28 3.900 -17.468 -2.615 182 HG3 ARG 28 2HG ARG 28 2.417 -18.357 -2.969 183 HD2 ARG 28 1HD ARG 28 5.032 -19.212 -4.151 184 HD3 ARG 28 2HD ARG 28 4.599 -19.671 -2.505 185 HE ARG 28 HE ARG 28 3.423 -20.655 -4.958 186 HH11 ARG 28 1HH1 ARG 28 3.132 -20.341 -1.503 187 HH12 ARG 28 2HH1 ARG 28 2.029 -21.668 -1.345 188 HH21 ARG 28 1HH2 ARG 28 1.972 -22.405 -4.762 189 HH22 ARG 28 2HH2 ARG 28 1.371 -22.842 -3.199 190 H VAL 29 H VAL 29 2.271 -13.564 -5.113 191 HA VAL 29 HA VAL 29 3.128 -13.751 -7.919 192 HB VAL 29 HB VAL 29 0.408 -12.965 -6.903 193 HG11 VAL 29 1HG1 VAL 29 1.191 -11.182 -8.384 194 HG12 VAL 29 2HG1 VAL 29 1.556 -12.378 -9.631 195 HG13 VAL 29 3HG1 VAL 29 -0.113 -12.109 -9.126 196 HG21 VAL 29 1HG2 VAL 29 1.045 -15.347 -7.605 197 HG22 VAL 29 2HG2 VAL 29 -0.412 -14.645 -8.310 198 HG23 VAL 29 3HG2 VAL 29 1.079 -14.711 -9.249 199 H LEU 30 H LEU 30 3.686 -11.800 -8.908 200 HA LEU 30 HA LEU 30 4.742 -9.812 -7.180 201 HB2 LEU 30 1HB LEU 30 5.747 -10.400 -9.339 202 HB3 LEU 30 2HB LEU 30 4.336 -9.746 -10.167 203 HG LEU 30 HG LEU 30 4.988 -7.532 -8.954 204 HD11 LEU 30 1HD1 LEU 30 6.707 -8.022 -7.530 205 HD12 LEU 30 2HD1 LEU 30 7.618 -7.541 -8.962 206 HD13 LEU 30 3HD1 LEU 30 7.390 -9.252 -8.595 207 HD21 LEU 30 1HD2 LEU 30 7.002 -7.926 -10.994 208 HD22 LEU 30 2HD2 LEU 30 5.569 -6.898 -11.006 209 HD23 LEU 30 3HD2 LEU 30 5.442 -8.594 -11.477 210 H GLN 31 H GLN 31 3.560 -8.356 -6.141 211 HA GLN 31 HA GLN 31 1.246 -7.176 -7.534 212 HB2 GLN 31 1HB GLN 31 1.609 -7.446 -4.547 213 HB3 GLN 31 2HB GLN 31 0.180 -6.860 -5.386 214 HG2 GLN 31 1HG GLN 31 1.275 -9.652 -5.627 215 HG3 GLN 31 2HG GLN 31 -0.031 -9.174 -4.544 216 HE21 GLN 31 1HE2 GLN 31 -0.500 -11.130 -6.326 217 HE22 GLN 31 2HE2 GLN 31 -1.544 -10.573 -7.585 218 H SER 32 H SER 32 1.230 -5.036 -7.823 219 HA SER 32 HA SER 32 2.898 -3.324 -6.146 220 HB2 SER 32 1HB SER 32 4.335 -3.937 -8.053 221 HB3 SER 32 2HB SER 32 3.103 -3.347 -9.169 222 HG SER 32 HG SER 32 3.556 -1.314 -8.627 223 H PHE 33 H PHE 33 2.289 -1.125 -6.163 224 HA PHE 33 HA PHE 33 -0.121 -0.422 -7.664 225 HB2 PHE 33 1HB PHE 33 -1.116 0.564 -5.575 226 HB3 PHE 33 2HB PHE 33 -1.045 -1.196 -5.593 227 HD1 PHE 33 1HD PHE 33 0.976 -2.284 -4.420 228 HD2 PHE 33 2HD PHE 33 -0.251 1.742 -3.784 229 HE1 PHE 33 1HE PHE 33 2.184 -2.258 -2.276 230 HE2 PHE 33 2HE PHE 33 0.956 1.775 -1.641 231 HZ PHE 33 HZ PHE 33 2.177 -0.226 -0.884 232 H THR 34 H THR 34 -0.682 1.996 -7.065 233 HA THR 34 HA THR 34 1.852 3.504 -7.089 234 HB THR 34 HB THR 34 -0.699 4.212 -8.552 235 HG1 THR 34 1HG THR 34 0.958 3.877 -10.364 236 HG21 THR 34 1HG2 THR 34 0.520 6.195 -7.870 237 HG22 THR 34 2HG2 THR 34 0.704 5.956 -9.607 238 HG23 THR 34 3HG2 THR 34 2.019 5.528 -8.513 239 H VAL 35 H VAL 35 2.044 5.218 -5.750 240 HA VAL 35 HA VAL 35 -0.294 5.879 -4.081 241 HB VAL 35 HB VAL 35 2.624 6.176 -3.357 242 HG11 VAL 35 1HG1 VAL 35 1.946 7.409 -1.641 243 HG12 VAL 35 2HG1 VAL 35 0.301 7.361 -2.279 244 HG13 VAL 35 3HG1 VAL 35 0.839 6.135 -1.129 245 HG21 VAL 35 1HG2 VAL 35 1.835 4.338 -1.652 246 HG22 VAL 35 2HG2 VAL 35 0.651 3.988 -2.911 247 HG23 VAL 35 3HG2 VAL 35 2.375 3.897 -3.273 248 H ASP 36 H ASP 36 -1.177 7.685 -4.880 249 HA ASP 36 HA ASP 36 0.463 9.776 -6.033 250 HB2 ASP 36 1HB ASP 36 -1.765 9.098 -6.980 251 HB3 ASP 36 2HB ASP 36 -2.521 9.796 -5.550 252 H SER 37 H SER 37 1.579 10.931 -4.571 253 HA SER 37 HA SER 37 0.091 12.034 -2.277 254 HB2 SER 37 1HB SER 37 2.252 12.173 -1.095 255 HB3 SER 37 2HB SER 37 1.877 10.515 -1.563 256 HG SER 37 HG SER 37 3.857 12.232 -2.501 257 H SER 38 H SER 38 0.391 13.075 -5.048 258 HA SER 38 HA SER 38 2.172 15.306 -4.939 259 HB2 SER 38 1HB SER 38 1.312 15.904 -7.072 260 HB3 SER 38 2HB SER 38 1.315 14.140 -7.042 261 HG SER 38 HG SER 38 -0.987 14.612 -6.160 262 H LYS 39 H LYS 39 -1.158 14.748 -4.084 263 HA LYS 39 HA LYS 39 -1.691 17.588 -3.733 264 HB2 LYS 39 1HB LYS 39 -3.426 15.160 -3.250 265 HB3 LYS 39 2HB LYS 39 -3.957 16.825 -3.062 266 HG2 LYS 39 1HG LYS 39 -2.788 16.006 -5.668 267 HG3 LYS 39 2HG LYS 39 -4.422 15.469 -5.266 268 HD2 LYS 39 1HD LYS 39 -4.941 17.892 -4.738 269 HD3 LYS 39 2HD LYS 39 -3.394 18.290 -5.490 270 HE2 LYS 39 1HE LYS 39 -5.523 16.686 -6.886 271 HE3 LYS 39 2HE LYS 39 -5.445 18.445 -6.971 272 HZ1 LYS 39 1HZ LYS 39 -3.179 16.690 -7.726 273 HZ2 LYS 39 2HZ LYS 39 -3.352 18.344 -8.032 274 HZ3 LYS 39 3HZ LYS 39 -4.338 17.228 -8.835 275 H ALA 40 H ALA 40 -0.232 15.191 -1.976 276 HA ALA 40 HA ALA 40 -1.237 16.017 0.625 277 HB1 ALA 40 1HB ALA 40 -0.634 13.978 1.251 278 HB2 ALA 40 2HB ALA 40 -0.078 13.665 -0.395 279 HB3 ALA 40 3HB ALA 40 1.044 14.301 0.809 280 H GLY 41 H GLY 41 1.630 16.374 -1.378 281 HA2 GLY 41 1HA GLY 41 2.684 18.649 -0.909 282 HA3 GLY 41 2HA GLY 41 2.853 18.038 0.730 283 H LEU 42 H LEU 42 5.034 17.955 0.908 284 HA LEU 42 HA LEU 42 6.458 16.253 -1.030 285 HB2 LEU 42 1HB LEU 42 8.498 17.525 -0.380 286 HB3 LEU 42 2HB LEU 42 7.284 18.469 -1.239 287 HG LEU 42 HG LEU 42 8.523 19.509 0.786 288 HD11 LEU 42 1HD1 LEU 42 5.586 19.616 0.216 289 HD12 LEU 42 2HD1 LEU 42 6.844 20.783 -0.190 290 HD13 LEU 42 3HD1 LEU 42 6.303 20.615 1.480 291 HD21 LEU 42 1HD2 LEU 42 8.141 17.636 2.315 292 HD22 LEU 42 2HD2 LEU 42 6.400 17.897 2.199 293 HD23 LEU 42 3HD2 LEU 42 7.431 19.129 2.929 294 H ALA 43 H ALA 43 5.043 15.683 1.594 295 HA ALA 43 HA ALA 43 7.145 14.934 3.413 296 HB1 ALA 43 1HB ALA 43 4.864 13.583 4.207 297 HB2 ALA 43 2HB ALA 43 5.404 15.159 4.784 298 HB3 ALA 43 3HB ALA 43 4.248 15.055 3.456 299 HA PRO 44 HA PRO 44 8.064 10.918 1.887 300 HB2 PRO 44 1HB PRO 44 8.699 9.642 4.198 301 HB3 PRO 44 2HB PRO 44 9.747 10.853 3.450 302 HG2 PRO 44 1HG PRO 44 7.824 11.156 5.725 303 HG3 PRO 44 2HG PRO 44 9.468 11.802 5.555 304 HD2 PRO 44 1HD PRO 44 7.258 13.305 5.120 305 HD3 PRO 44 2HD PRO 44 8.775 13.558 4.233 306 H LEU 45 H LEU 45 7.493 8.595 2.149 307 HA LEU 45 HA LEU 45 4.854 8.202 3.384 308 HB2 LEU 45 1HB LEU 45 4.451 8.544 1.043 309 HB3 LEU 45 2HB LEU 45 5.709 7.388 0.612 310 HG LEU 45 HG LEU 45 4.123 5.750 1.988 311 HD11 LEU 45 1HD1 LEU 45 1.751 6.345 1.271 312 HD12 LEU 45 2HD1 LEU 45 2.351 7.988 1.058 313 HD13 LEU 45 3HD1 LEU 45 2.424 7.223 2.645 314 HD21 LEU 45 1HD2 LEU 45 4.244 6.565 -0.853 315 HD22 LEU 45 2HD2 LEU 45 2.888 5.544 -0.375 316 HD23 LEU 45 3HD2 LEU 45 4.542 4.995 -0.106 317 H GLU 46 H GLU 46 4.597 6.324 4.460 318 HA GLU 46 HA GLU 46 6.831 4.408 4.353 319 HB2 GLU 46 1HB GLU 46 6.253 5.732 6.521 320 HB3 GLU 46 2HB GLU 46 4.917 4.597 6.657 321 HG2 GLU 46 1HG GLU 46 6.426 2.739 6.753 322 HG3 GLU 46 2HG GLU 46 7.804 3.786 6.421 323 H VAL 47 H VAL 47 6.355 2.163 4.526 324 HA VAL 47 HA VAL 47 3.566 1.393 4.047 325 HB VAL 47 HB VAL 47 5.839 0.326 2.371 326 HG11 VAL 47 1HG1 VAL 47 3.474 -0.853 2.914 327 HG12 VAL 47 2HG1 VAL 47 3.035 0.103 1.497 328 HG13 VAL 47 3HG1 VAL 47 4.353 -1.066 1.401 329 HG21 VAL 47 1HG2 VAL 47 4.387 2.791 2.126 330 HG22 VAL 47 2HG2 VAL 47 5.704 2.167 1.133 331 HG23 VAL 47 3HG2 VAL 47 4.035 1.740 0.755 332 H ARG 48 H ARG 48 2.971 -0.409 5.098 333 HA ARG 48 HA ARG 48 5.033 -2.263 6.043 334 HB2 ARG 48 1HB ARG 48 3.067 -0.757 7.739 335 HB3 ARG 48 2HB ARG 48 3.655 -2.336 8.246 336 HG2 ARG 48 1HG ARG 48 5.990 -1.405 7.986 337 HG3 ARG 48 2HG ARG 48 5.236 0.181 7.823 338 HD2 ARG 48 1HD ARG 48 4.561 -1.584 10.143 339 HD3 ARG 48 2HD ARG 48 6.041 -0.625 10.157 340 HE ARG 48 HE ARG 48 4.116 1.175 9.510 341 HH11 ARG 48 1HH1 ARG 48 4.505 -1.122 12.097 342 HH12 ARG 48 2HH1 ARG 48 3.622 -0.174 13.247 343 HH21 ARG 48 1HH2 ARG 48 2.951 2.432 11.015 344 HH22 ARG 48 2HH2 ARG 48 2.737 1.848 12.630 345 H VAL 49 H VAL 49 4.461 -4.348 5.872 346 HA VAL 49 HA VAL 49 1.637 -4.942 5.262 347 HB VAL 49 HB VAL 49 4.095 -6.388 4.261 348 HG11 VAL 49 1HG1 VAL 49 1.646 -7.487 4.699 349 HG12 VAL 49 2HG1 VAL 49 1.493 -6.938 3.028 350 HG13 VAL 49 3HG1 VAL 49 2.793 -8.041 3.480 351 HG21 VAL 49 1HG2 VAL 49 4.111 -4.678 2.802 352 HG22 VAL 49 2HG2 VAL 49 2.756 -5.530 2.060 353 HG23 VAL 49 3HG2 VAL 49 2.456 -4.203 3.183 354 H LEU 50 H LEU 50 0.636 -6.138 6.730 355 HA LEU 50 HA LEU 50 2.250 -7.923 8.431 356 HB2 LEU 50 1HB LEU 50 -0.199 -6.298 9.050 357 HB3 LEU 50 2HB LEU 50 0.317 -7.641 10.067 358 HG LEU 50 HG LEU 50 2.271 -5.470 9.480 359 HD11 LEU 50 1HD1 LEU 50 -0.251 -5.148 10.970 360 HD12 LEU 50 2HD1 LEU 50 0.770 -3.944 10.186 361 HD13 LEU 50 3HD1 LEU 50 1.207 -4.567 11.776 362 HD21 LEU 50 1HD2 LEU 50 3.318 -6.990 10.790 363 HD22 LEU 50 2HD2 LEU 50 1.816 -7.580 11.501 364 HD23 LEU 50 3HD2 LEU 50 2.530 -6.072 12.073 365 H GLY 51 H GLY 51 1.776 -10.030 8.400 366 HA2 GLY 51 1HA GLY 51 -0.179 -11.038 6.584 367 HA3 GLY 51 2HA GLY 51 0.806 -11.992 7.685 368 HA PRO 52 HA PRO 52 -3.716 -11.867 9.035 369 HB2 PRO 52 1HB PRO 52 -4.235 -14.507 8.675 370 HB3 PRO 52 2HB PRO 52 -4.479 -13.299 7.408 371 HG2 PRO 52 1HG PRO 52 -2.191 -15.185 7.811 372 HG3 PRO 52 2HG PRO 52 -3.031 -14.749 6.311 373 HD2 PRO 52 1HD PRO 52 -0.646 -13.676 7.011 374 HD3 PRO 52 2HD PRO 52 -1.863 -12.776 6.083 375 H ARG 53 H ARG 53 -1.074 -14.142 9.580 376 HA ARG 53 HA ARG 53 -2.084 -14.781 12.242 377 HB2 ARG 53 1HB ARG 53 0.521 -15.809 11.195 378 HB3 ARG 53 2HB ARG 53 -0.644 -16.593 12.252 379 HG2 ARG 53 1HG ARG 53 -1.164 -17.772 10.424 380 HG3 ARG 53 2HG ARG 53 -2.099 -16.342 9.981 381 HD2 ARG 53 1HD ARG 53 -0.381 -15.540 8.569 382 HD3 ARG 53 2HD ARG 53 0.788 -16.689 9.219 383 HE ARG 53 HE ARG 53 -1.049 -17.146 7.098 384 HH11 ARG 53 1HH1 ARG 53 0.539 -18.696 9.782 385 HH12 ARG 53 2HH1 ARG 53 0.468 -20.278 9.079 386 HH21 ARG 53 1HH2 ARG 53 -1.147 -19.224 6.162 387 HH22 ARG 53 2HH2 ARG 53 -0.490 -20.577 7.020 388 H GLY 54 H GLY 54 0.322 -12.838 10.678 389 HA2 GLY 54 1HA GLY 54 0.978 -10.928 12.220 390 HA3 GLY 54 2HA GLY 54 1.519 -12.204 13.300 391 H LEU 55 H LEU 55 1.924 -12.638 9.896 392 HA LEU 55 HA LEU 55 4.760 -12.853 10.184 393 HB2 LEU 55 1HB LEU 55 3.769 -14.317 8.636 394 HB3 LEU 55 2HB LEU 55 2.876 -13.014 7.854 395 HG LEU 55 HG LEU 55 5.150 -12.139 7.092 396 HD11 LEU 55 1HD1 LEU 55 6.567 -13.398 8.579 397 HD12 LEU 55 2HD1 LEU 55 6.905 -13.869 6.914 398 HD13 LEU 55 3HD1 LEU 55 5.938 -14.920 7.949 399 HD21 LEU 55 1HD2 LEU 55 4.396 -12.972 5.182 400 HD22 LEU 55 2HD2 LEU 55 3.428 -14.161 6.053 401 HD23 LEU 55 3HD2 LEU 55 5.092 -14.537 5.602 402 H VAL 56 H VAL 56 6.368 -11.579 9.219 403 HA VAL 56 HA VAL 56 5.513 -8.829 8.586 404 HB VAL 56 HB VAL 56 8.145 -9.748 9.751 405 HG11 VAL 56 1HG1 VAL 56 7.283 -6.897 9.612 406 HG12 VAL 56 2HG1 VAL 56 8.909 -7.582 9.675 407 HG13 VAL 56 3HG1 VAL 56 7.976 -7.657 8.180 408 HG21 VAL 56 1HG2 VAL 56 7.449 -8.807 11.810 409 HG22 VAL 56 2HG2 VAL 56 6.026 -8.069 11.076 410 HG23 VAL 56 3HG2 VAL 56 6.116 -9.821 11.257 411 H GLU 57 H GLU 57 5.621 -8.433 6.479 412 HA GLU 57 HA GLU 57 7.814 -9.645 4.930 413 HB2 GLU 57 1HB GLU 57 5.106 -8.703 3.969 414 HB3 GLU 57 2HB GLU 57 6.368 -9.379 2.950 415 HG2 GLU 57 1HG GLU 57 5.131 -10.875 5.241 416 HG3 GLU 57 2HG GLU 57 4.518 -10.948 3.590 417 HA PRO 58 HA PRO 58 9.435 -5.606 4.256 418 HB2 PRO 58 1HB PRO 58 10.893 -6.113 2.022 419 HB3 PRO 58 2HB PRO 58 11.379 -6.660 3.631 420 HG2 PRO 58 1HG PRO 58 10.007 -8.180 1.447 421 HG3 PRO 58 2HG PRO 58 11.332 -8.695 2.508 422 HD2 PRO 58 1HD PRO 58 8.759 -9.426 2.931 423 HD3 PRO 58 2HD PRO 58 9.912 -9.177 4.258 424 H VAL 59 H VAL 59 9.710 -4.007 2.392 425 HA VAL 59 HA VAL 59 7.669 -4.273 0.320 426 HB VAL 59 HB VAL 59 6.888 -1.917 0.812 427 HG11 VAL 59 1HG1 VAL 59 5.222 -2.630 2.352 428 HG12 VAL 59 2HG1 VAL 59 5.634 -4.025 1.352 429 HG13 VAL 59 3HG1 VAL 59 6.268 -3.897 2.993 430 HG21 VAL 59 1HG2 VAL 59 7.129 -1.251 3.234 431 HG22 VAL 59 2HG2 VAL 59 8.401 -2.468 3.356 432 HG23 VAL 59 3HG2 VAL 59 8.587 -1.105 2.252 433 H ASN 60 H ASN 60 7.822 -2.531 -1.314 434 HA ASN 60 HA ASN 60 10.577 -1.505 -1.522 435 HB2 ASN 60 1HB ASN 60 10.022 -3.360 -3.119 436 HB3 ASN 60 2HB ASN 60 8.794 -2.314 -3.826 437 HD21 ASN 60 1HD2 ASN 60 9.375 -0.863 -5.317 438 HD22 ASN 60 2HD2 ASN 60 11.001 -0.551 -5.810 439 H VAL 61 H VAL 61 10.882 0.562 -2.326 440 HA VAL 61 HA VAL 61 8.463 2.154 -2.844 441 HB VAL 61 HB VAL 61 9.116 2.613 -0.548 442 HG11 VAL 61 1HG1 VAL 61 11.235 2.636 0.117 443 HG12 VAL 61 2HG1 VAL 61 11.732 2.322 -1.547 444 HG13 VAL 61 3HG1 VAL 61 11.594 3.982 -0.964 445 HG21 VAL 61 1HG2 VAL 61 8.215 4.540 -1.379 446 HG22 VAL 61 2HG2 VAL 61 9.829 5.127 -0.973 447 HG23 VAL 61 3HG2 VAL 61 9.438 4.700 -2.640 448 H VAL 62 H VAL 62 8.590 3.108 -4.756 449 HA VAL 62 HA VAL 62 11.206 4.054 -5.708 450 HB VAL 62 HB VAL 62 9.175 2.628 -7.430 451 HG11 VAL 62 1HG1 VAL 62 10.522 4.487 -8.482 452 HG12 VAL 62 2HG1 VAL 62 11.954 3.500 -8.183 453 HG13 VAL 62 3HG1 VAL 62 10.675 2.902 -9.239 454 HG21 VAL 62 1HG2 VAL 62 10.949 1.469 -5.698 455 HG22 VAL 62 2HG2 VAL 62 10.287 0.704 -7.142 456 HG23 VAL 62 3HG2 VAL 62 11.860 1.498 -7.208 457 H ASP 63 H ASP 63 11.148 6.141 -6.184 458 HA ASP 63 HA ASP 63 8.623 7.531 -6.369 459 HB2 ASP 63 1HB ASP 63 10.333 8.636 -5.120 460 HB3 ASP 63 2HB ASP 63 11.495 8.459 -6.433 461 H ASN 64 H ASN 64 7.595 8.084 -8.176 462 HA ASN 64 HA ASN 64 8.576 7.262 -10.722 463 HB2 ASN 64 1HB ASN 64 6.153 8.848 -9.871 464 HB3 ASN 64 2HB ASN 64 6.494 8.467 -11.557 465 HD21 ASN 64 1HD2 ASN 64 5.961 7.026 -8.386 466 HD22 ASN 64 2HD2 ASN 64 5.291 5.545 -8.973 467 H GLY 65 H GLY 65 8.008 10.440 -9.226 468 HA2 GLY 65 1HA GLY 65 9.696 12.170 -9.576 469 HA3 GLY 65 2HA GLY 65 9.863 11.579 -11.222 470 H ASP 66 H ASP 66 6.767 11.302 -11.091 471 HA ASP 66 HA ASP 66 6.282 14.012 -12.074 472 HB2 ASP 66 1HB ASP 66 4.946 11.361 -12.464 473 HB3 ASP 66 2HB ASP 66 4.023 12.836 -12.736 474 H GLY 67 H GLY 67 5.117 11.718 -9.660 475 HA2 GLY 67 1HA GLY 67 4.468 13.379 -7.654 476 HA3 GLY 67 2HA GLY 67 3.080 13.559 -8.717 477 H THR 68 H THR 68 4.883 10.576 -8.280 478 HA THR 68 HA THR 68 2.890 9.480 -6.482 479 HB THR 68 HB THR 68 2.304 7.594 -7.928 480 HG1 THR 68 1HG THR 68 4.378 8.130 -9.267 481 HG21 THR 68 1HG2 THR 68 1.768 10.069 -9.538 482 HG22 THR 68 2HG2 THR 68 1.051 9.850 -7.941 483 HG23 THR 68 3HG2 THR 68 0.707 8.695 -9.229 484 H HIS 69 H HIS 69 3.395 7.002 -6.212 485 HA HIS 69 HA HIS 69 6.242 6.433 -6.466 486 HB2 HIS 69 1HB HIS 69 4.874 6.219 -3.782 487 HB3 HIS 69 2HB HIS 69 6.584 5.990 -4.138 488 HD1 HIS 69 1HD HIS 69 7.996 7.934 -3.582 489 HD2 HIS 69 2HD HIS 69 4.080 9.059 -4.396 490 HE1 HIS 69 1HE HIS 69 7.914 10.417 -3.190 491 HE2 HIS 69 2HE HIS 69 5.515 11.060 -3.607 492 H THR 70 H THR 70 6.601 4.354 -6.933 493 HA THR 70 HA THR 70 4.321 2.534 -6.930 494 HB THR 70 HB THR 70 7.069 2.253 -8.163 495 HG1 THR 70 1HG THR 70 4.493 2.815 -9.245 496 HG21 THR 70 1HG2 THR 70 4.670 0.470 -8.569 497 HG22 THR 70 2HG2 THR 70 5.997 0.087 -7.472 498 HG23 THR 70 3HG2 THR 70 6.299 0.243 -9.202 499 H VAL 71 H VAL 71 4.215 0.653 -5.786 500 HA VAL 71 HA VAL 71 6.482 -0.007 -4.030 501 HB VAL 71 HB VAL 71 3.590 -0.082 -3.166 502 HG11 VAL 71 1HG1 VAL 71 4.294 -1.329 -1.471 503 HG12 VAL 71 2HG1 VAL 71 5.921 -1.339 -2.157 504 HG13 VAL 71 3HG1 VAL 71 5.450 -0.078 -1.016 505 HG21 VAL 71 1HG2 VAL 71 4.605 2.224 -3.517 506 HG22 VAL 71 2HG2 VAL 71 3.940 1.884 -1.918 507 HG23 VAL 71 3HG2 VAL 71 5.684 1.834 -2.177 508 H THR 72 H THR 72 7.175 -1.917 -4.746 509 HA THR 72 HA THR 72 5.272 -3.881 -5.762 510 HB THR 72 HB THR 72 7.328 -5.185 -6.367 511 HG1 THR 72 1HG THR 72 9.251 -4.455 -5.805 512 HG21 THR 72 1HG2 THR 72 7.843 -2.578 -7.616 513 HG22 THR 72 2HG2 THR 72 6.157 -3.092 -7.663 514 HG23 THR 72 3HG2 THR 72 7.412 -4.122 -8.351 515 H TYR 73 H TYR 73 5.039 -5.952 -4.922 516 HA TYR 73 HA TYR 73 6.523 -6.851 -2.646 517 HB2 TYR 73 1HB TYR 73 4.926 -6.678 -0.952 518 HB3 TYR 73 2HB TYR 73 4.791 -5.130 -1.777 519 HD1 TYR 73 1HD TYR 73 2.837 -4.611 -3.143 520 HD2 TYR 73 2HD TYR 73 3.147 -8.315 -1.072 521 HE1 TYR 73 1HE TYR 73 0.432 -4.998 -3.488 522 HE2 TYR 73 2HE TYR 73 0.743 -8.714 -1.412 523 HH TYR 73 HH TYR 73 -1.302 -6.317 -3.050 524 H THR 74 H THR 74 5.608 -8.940 -1.791 525 HA THR 74 HA THR 74 3.901 -10.353 -3.694 526 HB THR 74 HB THR 74 6.622 -11.408 -2.897 527 HG1 THR 74 1HG THR 74 5.640 -10.254 -5.302 528 HG21 THR 74 1HG2 THR 74 5.267 -12.687 -5.125 529 HG22 THR 74 2HG2 THR 74 4.340 -12.803 -3.628 530 HG23 THR 74 3HG2 THR 74 5.996 -13.404 -3.689 531 HA PRO 75 HA PRO 75 2.486 -11.625 0.376 532 HB2 PRO 75 1HB PRO 75 0.203 -12.785 -0.526 533 HB3 PRO 75 2HB PRO 75 0.376 -11.038 -0.317 534 HG2 PRO 75 1HG PRO 75 0.595 -12.679 -2.811 535 HG3 PRO 75 2HG PRO 75 -0.216 -11.121 -2.564 536 HD2 PRO 75 1HD PRO 75 2.232 -11.324 -3.703 537 HD3 PRO 75 2HD PRO 75 1.750 -9.930 -2.715 538 H SER 76 H SER 76 4.137 -13.187 0.691 539 HA SER 76 HA SER 76 4.736 -15.496 -0.490 540 HB2 SER 76 1HB SER 76 5.678 -14.731 1.687 541 HB3 SER 76 2HB SER 76 4.223 -15.324 2.490 542 HG SER 76 HG SER 76 5.833 -16.894 2.586 543 H GLN 77 H GLN 77 1.971 -15.161 1.726 544 HA GLN 77 HA GLN 77 0.747 -17.484 0.400 545 HB2 GLN 77 1HB GLN 77 -0.224 -18.135 2.594 546 HB3 GLN 77 2HB GLN 77 1.529 -18.261 2.542 547 HG2 GLN 77 1HG GLN 77 1.488 -15.890 3.572 548 HG3 GLN 77 2HG GLN 77 -0.180 -16.284 3.987 549 HE21 GLN 77 1HE2 GLN 77 1.084 -15.827 6.116 550 HE22 GLN 77 2HE2 GLN 77 1.658 -17.238 6.931 551 H GLU 78 H GLU 78 -1.682 -17.594 1.047 552 HA GLU 78 HA GLU 78 -2.807 -14.997 0.384 553 HB2 GLU 78 1HB GLU 78 -4.828 -16.170 -0.135 554 HB3 GLU 78 2HB GLU 78 -3.490 -17.086 -0.813 555 HG2 GLU 78 1HG GLU 78 -4.611 -17.760 1.877 556 HG3 GLU 78 2HG GLU 78 -5.368 -18.349 0.398 557 H GLY 79 H GLY 79 -4.976 -14.466 1.462 558 HA2 GLY 79 1HA GLY 79 -6.209 -14.943 3.625 559 HA3 GLY 79 2HA GLY 79 -4.627 -14.794 4.375 560 HA PRO 80 HA PRO 80 -6.899 -10.651 4.167 561 HB2 PRO 80 1HB PRO 80 -7.296 -10.346 6.835 562 HB3 PRO 80 2HB PRO 80 -8.464 -11.145 5.775 563 HG2 PRO 80 1HG PRO 80 -6.411 -12.356 7.586 564 HG3 PRO 80 2HG PRO 80 -8.097 -12.839 7.325 565 HD2 PRO 80 1HD PRO 80 -6.018 -14.122 6.159 566 HD3 PRO 80 2HD PRO 80 -7.604 -13.968 5.377 567 H TYR 81 H TYR 81 -4.818 -9.886 3.539 568 HA TYR 81 HA TYR 81 -2.794 -9.487 5.570 569 HB2 TYR 81 1HB TYR 81 -2.964 -9.145 2.621 570 HB3 TYR 81 2HB TYR 81 -1.801 -8.142 3.482 571 HD1 TYR 81 1HD TYR 81 -2.872 -11.696 3.921 572 HD2 TYR 81 2HD TYR 81 0.320 -8.991 3.155 573 HE1 TYR 81 1HE TYR 81 -1.283 -13.573 3.950 574 HE2 TYR 81 2HE TYR 81 1.918 -10.859 3.181 575 HH TYR 81 HH TYR 81 1.037 -14.036 2.939 576 H MET 82 H MET 82 -1.823 -7.337 5.910 577 HA MET 82 HA MET 82 -3.761 -5.145 5.625 578 HB2 MET 82 1HB MET 82 -3.792 -6.132 7.936 579 HB3 MET 82 2HB MET 82 -2.113 -5.637 8.108 580 HG2 MET 82 1HG MET 82 -2.648 -3.380 8.126 581 HG3 MET 82 2HG MET 82 -4.226 -3.649 7.390 582 HE1 MET 82 1HE MET 82 -2.218 -4.674 10.796 583 HE2 MET 82 2HE MET 82 -2.256 -2.963 10.372 584 HE3 MET 82 3HE MET 82 -3.156 -3.545 11.773 585 H VAL 83 H VAL 83 -2.841 -3.668 4.370 586 HA VAL 83 HA VAL 83 0.066 -3.270 4.523 587 HB VAL 83 HB VAL 83 -1.898 -2.416 2.392 588 HG11 VAL 83 1HG1 VAL 83 0.476 -1.187 3.016 589 HG12 VAL 83 2HG1 VAL 83 0.945 -2.326 1.751 590 HG13 VAL 83 3HG1 VAL 83 -0.325 -1.140 1.445 591 HG21 VAL 83 1HG2 VAL 83 0.342 -4.290 1.872 592 HG22 VAL 83 2HG2 VAL 83 -1.050 -4.908 2.761 593 HG23 VAL 83 3HG2 VAL 83 -1.266 -4.219 1.152 594 H SER 84 H SER 84 0.308 -1.886 6.234 595 HA SER 84 HA SER 84 -1.350 0.446 6.543 596 HB2 SER 84 1HB SER 84 -0.573 -0.478 8.577 597 HB3 SER 84 2HB SER 84 1.086 -0.589 7.987 598 HG SER 84 HG SER 84 -0.364 1.738 8.695 599 H VAL 85 H VAL 85 -0.769 2.589 6.243 600 HA VAL 85 HA VAL 85 1.806 3.165 4.983 601 HB VAL 85 HB VAL 85 -0.841 3.916 3.735 602 HG11 VAL 85 1HG1 VAL 85 1.620 5.273 3.654 603 HG12 VAL 85 2HG1 VAL 85 1.445 4.460 2.098 604 HG13 VAL 85 3HG1 VAL 85 0.191 5.564 2.664 605 HG21 VAL 85 1HG2 VAL 85 0.464 2.649 1.789 606 HG22 VAL 85 2HG2 VAL 85 1.186 1.826 3.172 607 HG23 VAL 85 3HG2 VAL 85 -0.563 1.801 2.945 608 H LYS 86 H LYS 86 2.657 5.014 5.701 609 HA LYS 86 HA LYS 86 0.876 6.913 7.083 610 HB2 LYS 86 1HB LYS 86 2.738 5.501 8.349 611 HB3 LYS 86 2HB LYS 86 3.780 6.784 7.747 612 HG2 LYS 86 1HG LYS 86 2.623 8.436 8.951 613 HG3 LYS 86 2HG LYS 86 1.263 7.360 9.276 614 HD2 LYS 86 1HD LYS 86 2.987 5.913 10.530 615 HD3 LYS 86 2HD LYS 86 4.007 7.353 10.491 616 HE2 LYS 86 1HE LYS 86 2.510 8.587 11.798 617 HE3 LYS 86 2HE LYS 86 1.182 7.468 11.494 618 HZ1 LYS 86 1HZ LYS 86 1.722 6.677 13.500 619 HZ2 LYS 86 2HZ LYS 86 3.274 7.350 13.482 620 HZ3 LYS 86 3HZ LYS 86 2.980 5.880 12.695 621 H TYR 87 H TYR 87 1.905 9.154 7.244 622 HA TYR 87 HA TYR 87 3.682 9.889 5.093 623 HB2 TYR 87 1HB TYR 87 1.206 9.707 4.222 624 HB3 TYR 87 2HB TYR 87 1.022 11.262 5.027 625 HD1 TYR 87 1HD TYR 87 3.019 9.480 2.450 626 HD2 TYR 87 2HD TYR 87 1.750 13.239 3.989 627 HE1 TYR 87 1HE TYR 87 3.977 10.603 0.482 628 HE2 TYR 87 2HE TYR 87 2.704 14.372 2.026 629 HH TYR 87 HH TYR 87 4.383 12.542 -0.515 630 H ALA 88 H ALA 88 5.041 11.060 6.298 631 HA ALA 88 HA ALA 88 5.861 12.788 7.534 632 HB1 ALA 88 1HB ALA 88 3.228 14.174 7.611 633 HB2 ALA 88 2HB ALA 88 4.847 14.833 7.372 634 HB3 ALA 88 3HB ALA 88 4.039 13.982 6.056 635 H ASP 89 H ASP 89 4.925 10.521 8.874 636 HA ASP 89 HA ASP 89 4.510 9.776 10.983 637 HB2 ASP 89 1HB ASP 89 5.224 12.632 11.418 638 HB3 ASP 89 2HB ASP 89 4.459 11.778 12.755 639 H GLU 90 H GLU 90 2.327 10.431 9.239 640 HA GLU 90 HA GLU 90 0.231 10.660 11.252 641 HB2 GLU 90 1HB GLU 90 0.403 12.423 8.806 642 HB3 GLU 90 2HB GLU 90 -1.051 12.232 9.775 643 HG2 GLU 90 1HG GLU 90 0.465 12.955 11.744 644 HG3 GLU 90 2HG GLU 90 1.522 13.572 10.475 645 H GLU 91 H GLU 91 -0.653 8.699 11.000 646 HA GLU 91 HA GLU 91 -0.711 7.147 8.707 647 HB2 GLU 91 1HB GLU 91 -2.210 7.180 11.263 648 HB3 GLU 91 2HB GLU 91 -2.941 6.275 9.945 649 HG2 GLU 91 1HG GLU 91 -1.239 4.735 9.871 650 HG3 GLU 91 2HG GLU 91 -0.070 5.831 10.605 651 H ILE 92 H ILE 92 -1.585 7.587 6.803 652 HA ILE 92 HA ILE 92 -3.371 9.607 6.212 653 HB ILE 92 HB ILE 92 -3.804 8.458 4.084 654 HG12 ILE 92 1HG1 ILE 92 -2.172 6.186 5.237 655 HG13 ILE 92 2HG1 ILE 92 -3.923 6.158 5.054 656 HG21 ILE 92 1HG2 ILE 92 -1.812 9.743 4.179 657 HG22 ILE 92 2HG2 ILE 92 -0.959 8.478 5.062 658 HG23 ILE 92 3HG2 ILE 92 -1.400 8.229 3.373 659 HD11 ILE 92 1HD1 ILE 92 -2.890 6.864 2.548 660 HD12 ILE 92 2HD1 ILE 92 -1.892 5.537 3.145 661 HD13 ILE 92 3HD1 ILE 92 -3.640 5.341 3.023 662 HA PRO 93 HA PRO 93 -7.367 8.268 7.450 663 HB2 PRO 93 1HB PRO 93 -8.908 9.424 5.537 664 HB3 PRO 93 2HB PRO 93 -8.120 10.347 6.823 665 HG2 PRO 93 1HG PRO 93 -7.264 9.942 3.983 666 HG3 PRO 93 2HG PRO 93 -7.246 11.424 4.956 667 HD2 PRO 93 1HD PRO 93 -5.025 9.937 4.530 668 HD3 PRO 93 2HD PRO 93 -5.291 10.847 6.031 669 H ARG 94 H ARG 94 -5.814 6.987 4.863 670 HA ARG 94 HA ARG 94 -8.103 5.283 4.125 671 HB2 ARG 94 1HB ARG 94 -5.664 6.029 2.502 672 HB3 ARG 94 2HB ARG 94 -6.864 4.843 2.005 673 HG2 ARG 94 1HG ARG 94 -7.547 7.705 2.615 674 HG3 ARG 94 2HG ARG 94 -7.100 7.137 1.005 675 HD2 ARG 94 1HD ARG 94 -9.007 5.821 0.806 676 HD3 ARG 94 2HD ARG 94 -9.287 5.794 2.547 677 HE ARG 94 HE ARG 94 -9.520 8.434 1.712 678 HH11 ARG 94 1HH1 ARG 94 -11.131 5.391 1.201 679 HH12 ARG 94 2HH1 ARG 94 -12.681 6.111 0.915 680 HH21 ARG 94 1HH2 ARG 94 -11.554 9.394 1.337 681 HH22 ARG 94 2HH2 ARG 94 -12.920 8.389 0.991 682 H SER 95 H SER 95 -5.461 5.308 6.010 683 HA SER 95 HA SER 95 -4.855 2.466 5.524 684 HB2 SER 95 1HB SER 95 -2.765 3.361 5.285 685 HB3 SER 95 2HB SER 95 -3.144 4.776 6.267 686 HG SER 95 HG SER 95 -2.684 3.674 8.070 687 HA PRO 96 HA PRO 96 -3.367 1.084 6.768 688 HB2 PRO 96 1HB PRO 96 -4.201 -1.378 7.549 689 HB3 PRO 96 2HB PRO 96 -3.105 -0.384 8.516 690 HG2 PRO 96 1HG PRO 96 -6.059 -0.774 8.803 691 HG3 PRO 96 2HG PRO 96 -4.810 -0.727 10.060 692 HD2 PRO 96 1HD PRO 96 -6.401 1.393 9.506 693 HD3 PRO 96 2HD PRO 96 -4.726 1.577 10.066 694 H PHE 97 H PHE 97 -3.765 -0.972 5.338 695 HA PHE 97 HA PHE 97 -6.341 -0.620 3.950 696 HB2 PHE 97 1HB PHE 97 -3.589 -1.114 2.816 697 HB3 PHE 97 2HB PHE 97 -5.060 -1.335 1.877 698 HD1 PHE 97 2HD PHE 97 -2.875 1.105 3.515 699 HD2 PHE 97 1HD PHE 97 -6.343 0.544 1.112 700 HE1 PHE 97 2HE PHE 97 -2.866 3.500 2.948 701 HE2 PHE 97 1HE PHE 97 -6.340 2.937 0.540 702 HZ PHE 97 HZ PHE 97 -4.600 4.419 1.459 703 H LYS 98 H LYS 98 -7.589 -2.361 3.900 704 HA LYS 98 HA LYS 98 -6.557 -4.912 4.791 705 HB2 LYS 98 1HB LYS 98 -8.901 -5.644 4.697 706 HB3 LYS 98 2HB LYS 98 -8.724 -4.151 5.612 707 HG2 LYS 98 1HG LYS 98 -9.274 -3.068 3.267 708 HG3 LYS 98 2HG LYS 98 -10.039 -4.635 2.996 709 HD2 LYS 98 1HD LYS 98 -11.097 -4.193 5.347 710 HD3 LYS 98 2HD LYS 98 -10.712 -2.508 4.984 711 HE2 LYS 98 1HE LYS 98 -12.966 -2.963 4.281 712 HE3 LYS 98 2HE LYS 98 -11.958 -2.735 2.853 713 HZ1 LYS 98 1HZ LYS 98 -11.952 -5.456 3.537 714 HZ2 LYS 98 2HZ LYS 98 -12.565 -4.725 2.140 715 HZ3 LYS 98 3HZ LYS 98 -13.559 -4.928 3.493 716 H VAL 99 H VAL 99 -5.287 -5.788 3.211 717 HA VAL 99 HA VAL 99 -6.435 -6.088 0.525 718 HB VAL 99 HB VAL 99 -3.602 -6.532 1.479 719 HG11 VAL 99 1HG1 VAL 99 -3.048 -7.366 -0.536 720 HG12 VAL 99 2HG1 VAL 99 -4.761 -7.778 -0.629 721 HG13 VAL 99 3HG1 VAL 99 -4.163 -6.306 -1.398 722 HG21 VAL 99 1HG2 VAL 99 -5.019 -4.177 0.693 723 HG22 VAL 99 2HG2 VAL 99 -3.340 -4.343 1.205 724 HG23 VAL 99 3HG2 VAL 99 -3.765 -4.528 -0.496 725 H LYS 100 H LYS 100 -7.691 -7.859 0.469 726 HA LYS 100 HA LYS 100 -6.961 -10.263 1.910 727 HB2 LYS 100 1HB LYS 100 -9.310 -9.579 1.813 728 HB3 LYS 100 2HB LYS 100 -9.281 -9.688 0.057 729 HG2 LYS 100 1HG LYS 100 -8.614 -12.150 0.450 730 HG3 LYS 100 2HG LYS 100 -9.223 -11.883 2.085 731 HD2 LYS 100 1HD LYS 100 -11.108 -12.668 1.010 732 HD3 LYS 100 2HD LYS 100 -11.310 -10.922 0.844 733 HE2 LYS 100 1HE LYS 100 -10.616 -10.952 -1.405 734 HE3 LYS 100 2HE LYS 100 -9.947 -12.576 -1.261 735 HZ1 LYS 100 1HZ LYS 100 -11.877 -13.377 -1.945 736 HZ2 LYS 100 2HZ LYS 100 -12.533 -11.821 -2.039 737 HZ3 LYS 100 3HZ LYS 100 -12.656 -12.706 -0.601 738 H VAL 101 H VAL 101 -5.275 -11.320 1.025 739 HA VAL 101 HA VAL 101 -4.856 -11.499 -1.802 740 HB VAL 101 HB VAL 101 -3.543 -13.071 0.420 741 HG11 VAL 101 1HG1 VAL 101 -3.123 -14.234 -1.574 742 HG12 VAL 101 2HG1 VAL 101 -2.923 -12.747 -2.502 743 HG13 VAL 101 3HG1 VAL 101 -1.694 -13.230 -1.332 744 HG21 VAL 101 1HG2 VAL 101 -3.359 -10.535 0.495 745 HG22 VAL 101 2HG2 VAL 101 -1.845 -11.439 0.481 746 HG23 VAL 101 3HG2 VAL 101 -2.422 -10.666 -0.994 747 H LEU 102 H LEU 102 -5.149 -13.239 -3.159 748 HA LEU 102 HA LEU 102 -6.929 -15.345 -2.136 749 HB2 LEU 102 1HB LEU 102 -6.558 -14.217 -4.902 750 HB3 LEU 102 2HB LEU 102 -7.511 -15.660 -4.562 751 HG LEU 102 HG LEU 102 -8.139 -13.036 -3.249 752 HD11 LEU 102 1HD1 LEU 102 -8.385 -12.277 -5.382 753 HD12 LEU 102 2HD1 LEU 102 -9.953 -13.055 -5.171 754 HD13 LEU 102 3HD1 LEU 102 -8.667 -13.889 -6.043 755 HD21 LEU 102 1HD2 LEU 102 -10.086 -15.155 -4.037 756 HD22 LEU 102 2HD2 LEU 102 -10.162 -13.994 -2.712 757 HD23 LEU 102 3HD2 LEU 102 -9.082 -15.385 -2.607 758 HA PRO 103 HA PRO 103 -3.951 -18.479 -2.896 759 HB2 PRO 103 1HB PRO 103 -5.540 -20.546 -3.652 760 HB3 PRO 103 2HB PRO 103 -5.452 -19.961 -1.986 761 HG2 PRO 103 1HG PRO 103 -7.499 -19.382 -4.092 762 HG3 PRO 103 2HG PRO 103 -7.735 -19.744 -2.372 763 HD2 PRO 103 1HD PRO 103 -7.825 -17.224 -3.355 764 HD3 PRO 103 2HD PRO 103 -7.238 -17.591 -1.721 765 H THR 104 H THR 104 -2.584 -18.563 -4.554 766 HA THR 104 HA THR 104 -2.802 -17.761 -7.081 767 HB THR 104 HB THR 104 -1.368 -20.298 -6.269 768 HG1 THR 104 1HG THR 104 0.419 -18.585 -6.400 769 HG21 THR 104 1HG2 THR 104 -0.459 -18.565 -8.513 770 HG22 THR 104 2HG2 THR 104 -1.807 -19.665 -8.804 771 HG23 THR 104 3HG2 THR 104 -0.251 -20.299 -8.269 772 H TYR 105 H TYR 105 -4.030 -20.831 -5.881 773 HA TYR 105 HA TYR 105 -4.783 -21.812 -8.466 774 HB2 TYR 105 1HB TYR 105 -5.303 -22.697 -5.643 775 HB3 TYR 105 2HB TYR 105 -6.160 -23.445 -6.987 776 HD1 TYR 105 1HD TYR 105 -2.615 -22.378 -6.436 777 HD2 TYR 105 2HD TYR 105 -5.289 -25.516 -7.486 778 HE1 TYR 105 1HE TYR 105 -0.700 -23.874 -6.817 779 HE2 TYR 105 2HE TYR 105 -3.381 -27.021 -7.869 780 HH TYR 105 HH TYR 105 -1.144 -27.290 -7.495 781 H ASP 106 H ASP 106 -6.739 -21.746 -9.467 782 HA ASP 106 HA ASP 106 -9.085 -20.738 -8.120 783 HB2 ASP 106 1HB ASP 106 -7.625 -18.745 -8.972 784 HB3 ASP 106 2HB ASP 106 -8.246 -19.202 -10.556 785 H ALA 107 H ALA 107 -10.643 -22.048 -8.778 786 HA ALA 107 HA ALA 107 -10.492 -23.215 -11.466 787 HB1 ALA 107 1HB ALA 107 -10.643 -24.738 -9.504 788 HB2 ALA 107 2HB ALA 107 -12.244 -24.075 -9.170 789 HB3 ALA 107 3HB ALA 107 -11.945 -24.948 -10.674 790 H SER 108 H SER 108 -11.262 -21.248 -12.466 791 HA SER 108 HA SER 108 -13.750 -20.073 -11.854 792 HB2 SER 108 1HB SER 108 -11.822 -19.137 -13.291 793 HB3 SER 108 2HB SER 108 -12.539 -20.060 -14.612 794 HG SER 108 HG SER 108 -13.356 -17.947 -14.576 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -8.739 37.324 5.530 2 HA2 GLY 1 1HA GLY 1 -8.455 34.707 5.348 3 HA3 GLY 1 2HA GLY 1 -9.097 35.035 3.745 4 H SER 2 H SER 2 -7.452 34.795 2.375 5 HA SER 2 HA SER 2 -5.320 34.853 1.523 6 HB2 SER 2 1HB SER 2 -4.513 37.108 1.152 7 HB3 SER 2 2HB SER 2 -6.271 37.106 1.011 8 HG SER 2 HG SER 2 -5.899 38.781 2.322 9 H SER 3 H SER 3 -5.280 33.804 4.092 10 HA SER 3 HA SER 3 -3.255 35.111 5.663 11 HB2 SER 3 1HB SER 3 -4.682 32.465 5.889 12 HB3 SER 3 2HB SER 3 -3.367 32.908 6.975 13 HG SER 3 HG SER 3 -5.545 34.647 6.574 14 H GLY 4 H GLY 4 -1.413 35.257 4.400 15 HA2 GLY 4 1HA GLY 4 -0.262 33.407 2.746 16 HA3 GLY 4 2HA GLY 4 0.667 34.533 3.724 17 H SER 5 H SER 5 0.970 31.606 2.906 18 HA SER 5 HA SER 5 2.163 30.740 5.351 19 HB2 SER 5 1HB SER 5 0.817 28.760 5.751 20 HB3 SER 5 2HB SER 5 -0.227 30.181 5.785 21 HG SER 5 HG SER 5 -0.660 28.091 4.392 22 H SER 6 H SER 6 3.790 29.351 4.947 23 HA SER 6 HA SER 6 3.870 28.071 2.293 24 HB2 SER 6 1HB SER 6 6.277 28.488 2.202 25 HB3 SER 6 2HB SER 6 5.406 30.009 2.397 26 HG SER 6 HG SER 6 6.539 28.547 4.547 27 H GLY 7 H GLY 7 4.884 26.048 2.158 28 HA2 GLY 7 1HA GLY 7 5.584 23.985 2.895 29 HA3 GLY 7 2HA GLY 7 6.147 24.777 4.360 30 H VAL 8 H VAL 8 3.490 23.118 2.824 31 HA VAL 8 HA VAL 8 2.347 22.613 5.480 32 HB VAL 8 HB VAL 8 0.963 24.363 4.514 33 HG11 VAL 8 1HG1 VAL 8 0.985 24.431 2.266 34 HG12 VAL 8 2HG1 VAL 8 1.198 22.686 2.111 35 HG13 VAL 8 3HG1 VAL 8 -0.406 23.357 2.404 36 HG21 VAL 8 1HG2 VAL 8 -1.109 22.567 4.091 37 HG22 VAL 8 2HG2 VAL 8 0.007 21.702 5.148 38 HG23 VAL 8 3HG2 VAL 8 -0.628 23.274 5.634 39 H VAL 9 H VAL 9 1.578 20.574 5.791 40 HA VAL 9 HA VAL 9 1.712 18.738 3.487 41 HB VAL 9 HB VAL 9 2.522 18.238 6.350 42 HG11 VAL 9 1HG1 VAL 9 3.133 15.927 5.271 43 HG12 VAL 9 2HG1 VAL 9 1.508 16.230 5.887 44 HG13 VAL 9 3HG1 VAL 9 1.831 16.342 4.156 45 HG21 VAL 9 1HG2 VAL 9 4.693 17.750 5.421 46 HG22 VAL 9 2HG2 VAL 9 4.078 17.956 3.781 47 HG23 VAL 9 3HG2 VAL 9 4.173 19.342 4.868 48 H ASP 10 H ASP 10 0.004 17.439 3.134 49 HA ASP 10 HA ASP 10 -2.062 17.248 5.218 50 HB2 ASP 10 1HB ASP 10 -2.472 18.911 3.206 51 HB3 ASP 10 2HB ASP 10 -2.889 17.429 2.351 52 HA PRO 11 HA PRO 11 -1.085 12.991 3.974 53 HB2 PRO 11 1HB PRO 11 -1.959 11.894 6.299 54 HB3 PRO 11 2HB PRO 11 -0.352 12.611 6.118 55 HG2 PRO 11 1HG PRO 11 -2.830 13.791 7.314 56 HG3 PRO 11 2HG PRO 11 -1.158 13.867 7.902 57 HD2 PRO 11 1HD PRO 11 -2.327 15.912 6.566 58 HD3 PRO 11 2HD PRO 11 -0.591 15.562 6.447 59 H SER 12 H SER 12 -3.910 14.694 4.359 60 HA SER 12 HA SER 12 -5.649 12.357 4.044 61 HB2 SER 12 1HB SER 12 -6.458 15.253 4.375 62 HB3 SER 12 2HB SER 12 -7.498 13.836 4.513 63 HG SER 12 HG SER 12 -5.276 14.366 6.196 64 H LYS 13 H LYS 13 -3.820 14.060 2.067 65 HA LYS 13 HA LYS 13 -5.839 14.224 -0.072 66 HB2 LYS 13 1HB LYS 13 -3.156 15.611 0.002 67 HB3 LYS 13 2HB LYS 13 -4.450 15.865 -1.162 68 HG2 LYS 13 1HG LYS 13 -4.944 16.364 1.739 69 HG3 LYS 13 2HG LYS 13 -4.088 17.562 0.765 70 HD2 LYS 13 1HD LYS 13 -6.215 18.301 0.434 71 HD3 LYS 13 2HD LYS 13 -6.142 17.113 -0.870 72 HE2 LYS 13 1HE LYS 13 -7.277 15.483 0.473 73 HE3 LYS 13 2HE LYS 13 -7.189 16.523 1.894 74 HZ1 LYS 13 1HZ LYS 13 -9.099 16.515 -0.232 75 HZ2 LYS 13 2HZ LYS 13 -8.445 18.054 0.018 76 HZ3 LYS 13 3HZ LYS 13 -9.193 17.235 1.296 77 H VAL 14 H VAL 14 -3.315 12.389 1.076 78 HA VAL 14 HA VAL 14 -2.239 11.608 -1.502 79 HB VAL 14 HB VAL 14 -0.610 11.608 0.194 80 HG11 VAL 14 1HG1 VAL 14 -2.617 10.105 1.858 81 HG12 VAL 14 2HG1 VAL 14 -0.916 10.254 2.302 82 HG13 VAL 14 3HG1 VAL 14 -1.922 11.696 2.166 83 HG21 VAL 14 1HG2 VAL 14 -0.738 9.557 -1.307 84 HG22 VAL 14 2HG2 VAL 14 0.233 9.411 0.158 85 HG23 VAL 14 3HG2 VAL 14 -1.381 8.705 0.096 86 H LYS 15 H LYS 15 -2.970 9.990 -2.712 87 HA LYS 15 HA LYS 15 -4.696 7.959 -1.455 88 HB2 LYS 15 1HB LYS 15 -5.037 9.212 -4.187 89 HB3 LYS 15 2HB LYS 15 -6.004 7.887 -3.552 90 HG2 LYS 15 1HG LYS 15 -6.704 9.410 -1.691 91 HG3 LYS 15 2HG LYS 15 -5.900 10.722 -2.554 92 HD2 LYS 15 1HD LYS 15 -7.933 9.014 -3.939 93 HD3 LYS 15 2HD LYS 15 -8.444 10.346 -2.897 94 HE2 LYS 15 1HE LYS 15 -6.356 10.873 -4.951 95 HE3 LYS 15 2HE LYS 15 -8.025 10.685 -5.487 96 HZ1 LYS 15 1HZ LYS 15 -8.664 12.593 -4.473 97 HZ2 LYS 15 2HZ LYS 15 -7.048 13.006 -4.753 98 HZ3 LYS 15 3HZ LYS 15 -7.530 12.466 -3.224 99 H ILE 16 H ILE 16 -4.921 5.985 -2.936 100 HA ILE 16 HA ILE 16 -2.528 5.455 -4.518 101 HB ILE 16 HB ILE 16 -2.038 3.365 -3.365 102 HG12 ILE 16 1HG1 ILE 16 -4.134 4.227 -1.360 103 HG13 ILE 16 2HG1 ILE 16 -4.334 2.932 -2.535 104 HG21 ILE 16 1HG2 ILE 16 -1.374 4.419 -1.096 105 HG22 ILE 16 2HG2 ILE 16 -0.682 5.073 -2.580 106 HG23 ILE 16 3HG2 ILE 16 -2.018 5.907 -1.788 107 HD11 ILE 16 1HD1 ILE 16 -2.053 2.161 -1.303 108 HD12 ILE 16 2HD1 ILE 16 -2.907 2.959 0.018 109 HD13 ILE 16 3HD1 ILE 16 -3.671 1.627 -0.848 110 H ALA 17 H ALA 17 -2.877 4.089 -6.190 111 HA ALA 17 HA ALA 17 -5.311 2.463 -6.219 112 HB1 ALA 17 1HB ALA 17 -4.601 4.247 -8.536 113 HB2 ALA 17 2HB ALA 17 -6.060 3.280 -8.320 114 HB3 ALA 17 3HB ALA 17 -5.774 4.687 -7.295 115 H GLY 18 H GLY 18 -5.173 0.600 -7.435 116 HA2 GLY 18 1HA GLY 18 -3.537 -0.086 -9.487 117 HA3 GLY 18 2HA GLY 18 -2.498 -0.267 -8.080 118 HA PRO 19 HA PRO 19 -5.158 -4.109 -8.880 119 HB2 PRO 19 1HB PRO 19 -3.163 -5.760 -9.697 120 HB3 PRO 19 2HB PRO 19 -4.107 -4.766 -10.815 121 HG2 PRO 19 1HG PRO 19 -1.389 -4.264 -9.664 122 HG3 PRO 19 2HG PRO 19 -1.962 -4.027 -11.325 123 HD2 PRO 19 1HD PRO 19 -1.720 -1.985 -9.563 124 HD3 PRO 19 2HD PRO 19 -2.968 -2.014 -10.826 125 H GLY 20 H GLY 20 -1.999 -3.539 -7.434 126 HA2 GLY 20 1HA GLY 20 -1.807 -5.834 -5.843 127 HA3 GLY 20 2HA GLY 20 -1.056 -4.288 -5.482 128 H LEU 21 H LEU 21 -3.254 -2.676 -5.094 129 HA LEU 21 HA LEU 21 -4.030 -3.450 -2.455 130 HB2 LEU 21 1HB LEU 21 -5.078 -1.171 -4.124 131 HB3 LEU 21 2HB LEU 21 -5.202 -1.343 -2.374 132 HG LEU 21 HG LEU 21 -2.523 -1.169 -3.709 133 HD11 LEU 21 1HD1 LEU 21 -4.462 1.039 -3.163 134 HD12 LEU 21 2HD1 LEU 21 -3.412 0.788 -4.557 135 HD13 LEU 21 3HD1 LEU 21 -2.727 1.321 -3.022 136 HD21 LEU 21 1HD2 LEU 21 -3.618 -0.651 -0.958 137 HD22 LEU 21 2HD2 LEU 21 -2.030 -0.078 -1.468 138 HD23 LEU 21 3HD2 LEU 21 -2.380 -1.807 -1.448 139 H GLY 22 H GLY 22 -5.460 -3.665 -5.611 140 HA2 GLY 22 1HA GLY 22 -8.160 -3.811 -5.070 141 HA3 GLY 22 2HA GLY 22 -7.359 -4.741 -6.328 142 H SER 23 H SER 23 -9.528 -5.830 -5.161 143 HA SER 23 HA SER 23 -8.722 -7.548 -2.973 144 HB2 SER 23 1HB SER 23 -11.045 -8.460 -3.198 145 HB3 SER 23 2HB SER 23 -10.991 -6.717 -2.936 146 HG SER 23 HG SER 23 -11.513 -6.375 -5.035 147 H GLY 24 H GLY 24 -8.367 -7.598 -6.285 148 HA2 GLY 24 1HA GLY 24 -8.639 -10.492 -6.564 149 HA3 GLY 24 2HA GLY 24 -8.273 -9.351 -7.851 150 H VAL 25 H VAL 25 -6.673 -9.851 -4.721 151 HA VAL 25 HA VAL 25 -4.115 -10.034 -6.109 152 HB VAL 25 HB VAL 25 -4.722 -9.879 -3.153 153 HG11 VAL 25 1HG1 VAL 25 -2.635 -10.620 -2.895 154 HG12 VAL 25 2HG1 VAL 25 -2.289 -10.479 -4.620 155 HG13 VAL 25 3HG1 VAL 25 -2.111 -9.075 -3.565 156 HG21 VAL 25 1HG2 VAL 25 -3.316 -7.664 -4.451 157 HG22 VAL 25 2HG2 VAL 25 -4.974 -7.890 -5.011 158 HG23 VAL 25 3HG2 VAL 25 -4.648 -7.641 -3.295 159 H ARG 26 H ARG 26 -2.744 -11.781 -6.012 160 HA ARG 26 HA ARG 26 -3.884 -14.250 -4.875 161 HB2 ARG 26 1HB ARG 26 -2.090 -14.009 -7.297 162 HB3 ARG 26 2HB ARG 26 -2.797 -15.491 -6.666 163 HG2 ARG 26 1HG ARG 26 -4.994 -14.786 -7.266 164 HG3 ARG 26 2HG ARG 26 -4.418 -13.170 -7.681 165 HD2 ARG 26 1HD ARG 26 -3.227 -15.516 -9.075 166 HD3 ARG 26 2HD ARG 26 -4.848 -14.995 -9.534 167 HE ARG 26 HE ARG 26 -2.975 -12.834 -9.460 168 HH11 ARG 26 1HH1 ARG 26 -4.166 -15.476 -11.388 169 HH12 ARG 26 2HH1 ARG 26 -3.714 -14.750 -12.896 170 HH21 ARG 26 1HH2 ARG 26 -2.377 -11.868 -11.437 171 HH22 ARG 26 2HH2 ARG 26 -2.696 -12.698 -12.922 172 H ALA 27 H ALA 27 -2.359 -15.833 -4.103 173 HA ALA 27 HA ALA 27 -0.238 -14.651 -2.597 174 HB1 ALA 27 1HB ALA 27 -0.877 -17.575 -2.968 175 HB2 ALA 27 2HB ALA 27 0.120 -16.864 -1.698 176 HB3 ALA 27 3HB ALA 27 -1.610 -16.523 -1.756 177 H ARG 28 H ARG 28 1.981 -14.997 -2.767 178 HA ARG 28 HA ARG 28 3.963 -15.138 -3.877 179 HB2 ARG 28 1HB ARG 28 2.640 -17.538 -5.155 180 HB3 ARG 28 2HB ARG 28 4.366 -17.202 -5.143 181 HG2 ARG 28 1HG ARG 28 4.076 -17.193 -2.560 182 HG3 ARG 28 2HG ARG 28 2.594 -18.085 -2.912 183 HD2 ARG 28 1HD ARG 28 5.310 -18.873 -3.948 184 HD3 ARG 28 2HD ARG 28 4.612 -19.505 -2.458 185 HE ARG 28 HE ARG 28 3.866 -20.191 -5.161 186 HH11 ARG 28 1HH1 ARG 28 2.936 -20.193 -1.806 187 HH12 ARG 28 2HH1 ARG 28 1.795 -21.484 -1.989 188 HH21 ARG 28 1HH2 ARG 28 2.366 -21.892 -5.414 189 HH22 ARG 28 2HH2 ARG 28 1.473 -22.450 -4.041 190 H VAL 29 H VAL 29 1.983 -13.427 -5.017 191 HA VAL 29 HA VAL 29 2.735 -13.578 -7.864 192 HB VAL 29 HB VAL 29 0.141 -12.711 -6.615 193 HG11 VAL 29 1HG1 VAL 29 -0.506 -11.932 -8.908 194 HG12 VAL 29 2HG1 VAL 29 0.677 -10.912 -8.087 195 HG13 VAL 29 3HG1 VAL 29 1.199 -12.026 -9.350 196 HG21 VAL 29 1HG2 VAL 29 -0.470 -14.157 -8.812 197 HG22 VAL 29 2HG2 VAL 29 1.072 -14.887 -8.366 198 HG23 VAL 29 3HG2 VAL 29 -0.255 -14.851 -7.206 199 H LEU 30 H LEU 30 3.142 -11.598 -8.938 200 HA LEU 30 HA LEU 30 4.424 -9.641 -7.286 201 HB2 LEU 30 1HB LEU 30 5.311 -10.302 -9.474 202 HB3 LEU 30 2HB LEU 30 3.879 -9.631 -10.252 203 HG LEU 30 HG LEU 30 4.686 -7.423 -9.047 204 HD11 LEU 30 1HD1 LEU 30 6.544 -8.052 -7.844 205 HD12 LEU 30 2HD1 LEU 30 7.274 -7.470 -9.340 206 HD13 LEU 30 3HD1 LEU 30 7.082 -9.202 -9.069 207 HD21 LEU 30 1HD2 LEU 30 4.779 -8.446 -11.621 208 HD22 LEU 30 2HD2 LEU 30 6.415 -7.854 -11.331 209 HD23 LEU 30 3HD2 LEU 30 5.037 -6.767 -11.145 210 H GLN 31 H GLN 31 3.254 -8.217 -6.175 211 HA GLN 31 HA GLN 31 0.921 -6.990 -7.490 212 HB2 GLN 31 1HB GLN 31 1.450 -7.080 -4.521 213 HB3 GLN 31 2HB GLN 31 -0.043 -6.627 -5.333 214 HG2 GLN 31 1HG GLN 31 1.176 -9.379 -5.373 215 HG3 GLN 31 2HG GLN 31 -0.135 -8.862 -4.314 216 HE21 GLN 31 1HE2 GLN 31 -0.584 -10.986 -5.862 217 HE22 GLN 31 2HE2 GLN 31 -1.652 -10.598 -7.162 218 H SER 32 H SER 32 0.999 -4.889 -7.945 219 HA SER 32 HA SER 32 2.747 -3.129 -6.401 220 HB2 SER 32 1HB SER 32 4.064 -3.936 -8.364 221 HB3 SER 32 2HB SER 32 2.844 -3.231 -9.425 222 HG SER 32 HG SER 32 4.223 -1.727 -7.463 223 H PHE 33 H PHE 33 2.169 -0.934 -6.482 224 HA PHE 33 HA PHE 33 -0.196 -0.193 -8.018 225 HB2 PHE 33 1HB PHE 33 -1.252 0.786 -5.950 226 HB3 PHE 33 2HB PHE 33 -1.225 -0.974 -6.004 227 HD1 PHE 33 1HD PHE 33 0.677 -2.153 -4.754 228 HD2 PHE 33 2HD PHE 33 -0.393 1.917 -4.119 229 HE1 PHE 33 1HE PHE 33 1.797 -2.205 -2.564 230 HE2 PHE 33 2HE PHE 33 0.726 1.872 -1.928 231 HZ PHE 33 HZ PHE 33 1.824 -0.190 -1.148 232 H THR 34 H THR 34 -0.716 2.203 -7.602 233 HA THR 34 HA THR 34 1.836 3.671 -7.492 234 HB THR 34 HB THR 34 -0.718 4.438 -8.919 235 HG1 THR 34 1HG THR 34 0.148 3.035 -10.286 236 HG21 THR 34 1HG2 THR 34 0.104 6.500 -9.094 237 HG22 THR 34 2HG2 THR 34 1.601 5.871 -9.783 238 HG23 THR 34 3HG2 THR 34 1.436 6.040 -8.036 239 H VAL 35 H VAL 35 2.113 5.210 -5.999 240 HA VAL 35 HA VAL 35 -0.201 5.930 -4.328 241 HB VAL 35 HB VAL 35 2.741 6.033 -3.650 242 HG11 VAL 35 1HG1 VAL 35 0.875 6.216 -1.441 243 HG12 VAL 35 2HG1 VAL 35 2.256 7.240 -1.841 244 HG13 VAL 35 3HG1 VAL 35 0.685 7.549 -2.580 245 HG21 VAL 35 1HG2 VAL 35 1.429 4.343 -1.883 246 HG22 VAL 35 2HG2 VAL 35 0.744 3.944 -3.458 247 HG23 VAL 35 3HG2 VAL 35 2.488 3.862 -3.209 248 H ASP 36 H ASP 36 -1.037 7.799 -5.016 249 HA ASP 36 HA ASP 36 0.695 9.896 -6.055 250 HB2 ASP 36 1HB ASP 36 -1.460 9.288 -7.184 251 HB3 ASP 36 2HB ASP 36 -2.315 9.909 -5.775 252 H SER 37 H SER 37 1.687 11.076 -4.545 253 HA SER 37 HA SER 37 0.060 12.095 -2.307 254 HB2 SER 37 1HB SER 37 2.027 12.061 -0.893 255 HB3 SER 37 2HB SER 37 1.809 10.458 -1.595 256 HG SER 37 HG SER 37 3.311 11.587 -3.305 257 H SER 38 H SER 38 0.615 13.211 -5.005 258 HA SER 38 HA SER 38 2.457 15.365 -4.719 259 HB2 SER 38 1HB SER 38 1.449 16.205 -6.820 260 HB3 SER 38 2HB SER 38 1.876 14.497 -6.928 261 HG SER 38 HG SER 38 -0.720 15.351 -6.206 262 H LYS 39 H LYS 39 -1.000 14.991 -4.217 263 HA LYS 39 HA LYS 39 -1.444 17.802 -3.767 264 HB2 LYS 39 1HB LYS 39 -3.193 15.378 -3.319 265 HB3 LYS 39 2HB LYS 39 -3.721 17.034 -3.044 266 HG2 LYS 39 1HG LYS 39 -2.603 16.288 -5.703 267 HG3 LYS 39 2HG LYS 39 -4.255 15.821 -5.291 268 HD2 LYS 39 1HD LYS 39 -4.758 18.183 -4.772 269 HD3 LYS 39 2HD LYS 39 -3.122 18.620 -5.272 270 HE2 LYS 39 1HE LYS 39 -4.478 19.064 -7.141 271 HE3 LYS 39 2HE LYS 39 -3.680 17.534 -7.501 272 HZ1 LYS 39 1HZ LYS 39 -6.362 18.008 -7.598 273 HZ2 LYS 39 2HZ LYS 39 -6.170 17.170 -6.142 274 HZ3 LYS 39 3HZ LYS 39 -5.624 16.487 -7.591 275 H ALA 40 H ALA 40 -0.272 15.211 -1.926 276 HA ALA 40 HA ALA 40 -1.208 16.114 0.639 277 HB1 ALA 40 1HB ALA 40 -0.809 13.851 0.670 278 HB2 ALA 40 2HB ALA 40 0.653 13.984 -0.308 279 HB3 ALA 40 3HB ALA 40 0.679 14.469 1.388 280 H GLY 41 H GLY 41 1.751 16.434 -1.262 281 HA2 GLY 41 1HA GLY 41 2.730 18.768 -0.768 282 HA3 GLY 41 2HA GLY 41 2.901 18.122 0.857 283 H LEU 42 H LEU 42 5.068 18.015 1.076 284 HA LEU 42 HA LEU 42 6.535 16.412 -0.914 285 HB2 LEU 42 1HB LEU 42 8.551 17.678 -0.224 286 HB3 LEU 42 2HB LEU 42 7.320 18.663 -1.010 287 HG LEU 42 HG LEU 42 8.594 19.553 1.088 288 HD11 LEU 42 1HD1 LEU 42 6.632 20.884 1.691 289 HD12 LEU 42 2HD1 LEU 42 5.602 19.770 0.793 290 HD13 LEU 42 3HD1 LEU 42 6.806 20.736 -0.058 291 HD21 LEU 42 1HD2 LEU 42 8.129 17.608 2.499 292 HD22 LEU 42 2HD2 LEU 42 6.399 17.922 2.361 293 HD23 LEU 42 3HD2 LEU 42 7.444 19.082 3.183 294 H ALA 43 H ALA 43 5.105 15.814 1.738 295 HA ALA 43 HA ALA 43 7.185 14.993 3.530 296 HB1 ALA 43 1HB ALA 43 4.277 15.044 3.521 297 HB2 ALA 43 2HB ALA 43 4.933 13.587 4.269 298 HB3 ALA 43 3HB ALA 43 5.410 15.176 4.868 299 HA PRO 44 HA PRO 44 8.182 11.042 1.887 300 HB2 PRO 44 1HB PRO 44 8.792 9.694 4.163 301 HB3 PRO 44 2HB PRO 44 9.838 10.943 3.477 302 HG2 PRO 44 1HG PRO 44 7.871 11.144 5.725 303 HG3 PRO 44 2HG PRO 44 9.508 11.815 5.608 304 HD2 PRO 44 1HD PRO 44 7.287 13.306 5.185 305 HD3 PRO 44 2HD PRO 44 8.817 13.607 4.334 306 H LEU 45 H LEU 45 7.610 8.729 1.995 307 HA LEU 45 HA LEU 45 4.906 8.308 3.087 308 HB2 LEU 45 1HB LEU 45 4.677 8.494 0.733 309 HB3 LEU 45 2HB LEU 45 6.067 7.450 0.449 310 HG LEU 45 HG LEU 45 4.507 5.701 1.720 311 HD11 LEU 45 1HD1 LEU 45 2.790 7.869 1.463 312 HD12 LEU 45 2HD1 LEU 45 2.349 6.208 1.854 313 HD13 LEU 45 3HD1 LEU 45 2.306 6.761 0.179 314 HD21 LEU 45 1HD2 LEU 45 5.443 5.270 -0.429 315 HD22 LEU 45 2HD2 LEU 45 4.406 6.480 -1.189 316 HD23 LEU 45 3HD2 LEU 45 3.704 4.995 -0.545 317 H GLU 46 H GLU 46 4.548 6.463 4.204 318 HA GLU 46 HA GLU 46 6.773 4.536 4.359 319 HB2 GLU 46 1HB GLU 46 6.163 6.064 6.404 320 HB3 GLU 46 2HB GLU 46 4.847 4.920 6.618 321 HG2 GLU 46 1HG GLU 46 6.605 3.101 6.586 322 HG3 GLU 46 2HG GLU 46 7.798 4.391 6.726 323 H VAL 47 H VAL 47 6.310 2.387 4.243 324 HA VAL 47 HA VAL 47 3.478 1.614 4.025 325 HB VAL 47 HB VAL 47 5.688 0.607 2.227 326 HG11 VAL 47 1HG1 VAL 47 2.723 0.053 2.219 327 HG12 VAL 47 2HG1 VAL 47 3.884 -0.525 1.023 328 HG13 VAL 47 3HG1 VAL 47 3.989 -1.077 2.695 329 HG21 VAL 47 1HG2 VAL 47 5.277 2.723 1.395 330 HG22 VAL 47 2HG2 VAL 47 4.127 1.746 0.482 331 HG23 VAL 47 3HG2 VAL 47 3.577 2.692 1.865 332 H ARG 48 H ARG 48 2.942 -0.410 4.798 333 HA ARG 48 HA ARG 48 5.044 -2.163 5.788 334 HB2 ARG 48 1HB ARG 48 4.756 -0.795 7.715 335 HB3 ARG 48 2HB ARG 48 3.004 -0.828 7.561 336 HG2 ARG 48 1HG ARG 48 2.819 -2.894 8.500 337 HG3 ARG 48 2HG ARG 48 4.412 -3.411 7.944 338 HD2 ARG 48 1HD ARG 48 3.884 -1.428 10.155 339 HD3 ARG 48 2HD ARG 48 4.325 -3.119 10.384 340 HE ARG 48 HE ARG 48 6.332 -2.153 8.844 341 HH11 ARG 48 1HH1 ARG 48 4.902 -1.129 11.848 342 HH12 ARG 48 2HH1 ARG 48 6.366 -0.431 12.457 343 HH21 ARG 48 1HH2 ARG 48 8.265 -1.236 9.634 344 HH22 ARG 48 2HH2 ARG 48 8.277 -0.491 11.197 345 H VAL 49 H VAL 49 4.443 -4.292 5.904 346 HA VAL 49 HA VAL 49 1.653 -4.910 5.175 347 HB VAL 49 HB VAL 49 4.158 -6.321 4.244 348 HG11 VAL 49 1HG1 VAL 49 2.094 -7.366 2.796 349 HG12 VAL 49 2HG1 VAL 49 2.839 -8.134 4.201 350 HG13 VAL 49 3HG1 VAL 49 1.365 -7.184 4.391 351 HG21 VAL 49 1HG2 VAL 49 2.773 -5.654 2.016 352 HG22 VAL 49 2HG2 VAL 49 2.375 -4.297 3.069 353 HG23 VAL 49 3HG2 VAL 49 4.061 -4.671 2.712 354 H LEU 50 H LEU 50 0.625 -6.086 6.641 355 HA LEU 50 HA LEU 50 2.213 -7.670 8.544 356 HB2 LEU 50 1HB LEU 50 -0.305 -6.119 8.756 357 HB3 LEU 50 2HB LEU 50 -0.176 -7.587 9.724 358 HG LEU 50 HG LEU 50 1.990 -6.610 10.634 359 HD11 LEU 50 1HD1 LEU 50 2.329 -4.912 8.922 360 HD12 LEU 50 2HD1 LEU 50 2.204 -4.181 10.520 361 HD13 LEU 50 3HD1 LEU 50 0.836 -4.109 9.410 362 HD21 LEU 50 1HD2 LEU 50 -0.269 -4.835 11.390 363 HD22 LEU 50 2HD2 LEU 50 0.857 -5.732 12.409 364 HD23 LEU 50 3HD2 LEU 50 -0.469 -6.575 11.606 365 H GLY 51 H GLY 51 1.503 -9.765 9.137 366 HA2 GLY 51 1HA GLY 51 0.158 -11.151 6.951 367 HA3 GLY 51 2HA GLY 51 1.038 -11.899 8.275 368 HA PRO 52 HA PRO 52 -3.670 -12.001 8.901 369 HB2 PRO 52 1HB PRO 52 -4.055 -14.646 8.426 370 HB3 PRO 52 2HB PRO 52 -4.165 -13.417 7.161 371 HG2 PRO 52 1HG PRO 52 -1.892 -15.247 7.832 372 HG3 PRO 52 2HG PRO 52 -2.539 -14.801 6.241 373 HD2 PRO 52 1HD PRO 52 -0.303 -13.675 7.273 374 HD3 PRO 52 2HD PRO 52 -1.413 -12.790 6.208 375 H ARG 53 H ARG 53 -1.011 -14.127 9.785 376 HA ARG 53 HA ARG 53 -2.275 -14.528 12.417 377 HB2 ARG 53 1HB ARG 53 -0.473 -16.518 12.361 378 HB3 ARG 53 2HB ARG 53 -2.123 -16.702 11.781 379 HG2 ARG 53 1HG ARG 53 -0.645 -17.655 10.171 380 HG3 ARG 53 2HG ARG 53 -1.316 -16.171 9.493 381 HD2 ARG 53 1HD ARG 53 1.076 -16.351 9.038 382 HD3 ARG 53 2HD ARG 53 0.724 -14.970 10.076 383 HE ARG 53 HE ARG 53 1.333 -16.813 11.889 384 HH11 ARG 53 1HH1 ARG 53 2.909 -15.991 8.895 385 HH12 ARG 53 2HH1 ARG 53 4.486 -16.442 9.451 386 HH21 ARG 53 1HH2 ARG 53 3.405 -17.411 12.632 387 HH22 ARG 53 2HH2 ARG 53 4.767 -17.251 11.576 388 H GLY 54 H GLY 54 -0.034 -12.726 10.951 389 HA2 GLY 54 1HA GLY 54 1.321 -11.280 12.362 390 HA3 GLY 54 2HA GLY 54 1.685 -12.688 13.350 391 H LEU 55 H LEU 55 1.953 -11.697 9.932 392 HA LEU 55 HA LEU 55 4.671 -12.837 9.938 393 HB2 LEU 55 1HB LEU 55 3.075 -14.126 8.570 394 HB3 LEU 55 2HB LEU 55 2.748 -12.679 7.621 395 HG LEU 55 HG LEU 55 5.334 -12.769 7.173 396 HD11 LEU 55 1HD1 LEU 55 5.321 -14.846 8.812 397 HD12 LEU 55 2HD1 LEU 55 6.408 -14.759 7.426 398 HD13 LEU 55 3HD1 LEU 55 4.922 -15.703 7.323 399 HD21 LEU 55 1HD2 LEU 55 3.014 -13.683 5.829 400 HD22 LEU 55 2HD2 LEU 55 4.305 -14.848 5.530 401 HD23 LEU 55 3HD2 LEU 55 4.545 -13.145 5.136 402 H VAL 56 H VAL 56 6.303 -11.572 9.246 403 HA VAL 56 HA VAL 56 5.617 -8.834 8.433 404 HB VAL 56 HB VAL 56 8.232 -9.914 9.492 405 HG11 VAL 56 1HG1 VAL 56 8.812 -8.079 8.177 406 HG12 VAL 56 2HG1 VAL 56 7.355 -7.186 8.614 407 HG13 VAL 56 3HG1 VAL 56 8.649 -7.395 9.794 408 HG21 VAL 56 1HG2 VAL 56 5.818 -8.997 10.803 409 HG22 VAL 56 2HG2 VAL 56 7.240 -9.784 11.486 410 HG23 VAL 56 3HG2 VAL 56 7.221 -8.035 11.264 411 H GLU 57 H GLU 57 6.071 -8.105 6.453 412 HA GLU 57 HA GLU 57 8.015 -9.573 4.812 413 HB2 GLU 57 1HB GLU 57 5.240 -8.734 3.958 414 HB3 GLU 57 2HB GLU 57 6.486 -9.301 2.854 415 HG2 GLU 57 1HG GLU 57 5.411 -10.914 5.154 416 HG3 GLU 57 2HG GLU 57 4.812 -11.020 3.500 417 HA PRO 58 HA PRO 58 9.584 -5.546 3.958 418 HB2 PRO 58 1HB PRO 58 10.992 -6.120 1.709 419 HB3 PRO 58 2HB PRO 58 11.522 -6.605 3.324 420 HG2 PRO 58 1HG PRO 58 10.111 -8.213 1.229 421 HG3 PRO 58 2HG PRO 58 11.466 -8.680 2.274 422 HD2 PRO 58 1HD PRO 58 8.911 -9.415 2.787 423 HD3 PRO 58 2HD PRO 58 10.093 -9.110 4.075 424 H VAL 59 H VAL 59 9.671 -3.922 2.190 425 HA VAL 59 HA VAL 59 7.689 -4.309 0.075 426 HB VAL 59 HB VAL 59 7.611 -1.918 1.919 427 HG11 VAL 59 1HG1 VAL 59 5.260 -1.928 0.594 428 HG12 VAL 59 2HG1 VAL 59 6.683 -1.026 0.067 429 HG13 VAL 59 3HG1 VAL 59 6.324 -2.603 -0.640 430 HG21 VAL 59 1HG2 VAL 59 5.440 -2.842 2.671 431 HG22 VAL 59 2HG2 VAL 59 5.781 -4.311 1.757 432 HG23 VAL 59 3HG2 VAL 59 6.814 -3.857 3.112 433 H ASN 60 H ASN 60 7.901 -2.867 -1.688 434 HA ASN 60 HA ASN 60 10.570 -1.668 -1.870 435 HB2 ASN 60 1HB ASN 60 10.117 -3.294 -3.595 436 HB3 ASN 60 2HB ASN 60 8.599 -2.503 -4.005 437 HD21 ASN 60 1HD2 ASN 60 8.609 -0.694 -5.275 438 HD22 ASN 60 2HD2 ASN 60 10.021 -0.116 -6.084 439 H VAL 61 H VAL 61 10.889 0.460 -2.317 440 HA VAL 61 HA VAL 61 8.522 2.143 -2.779 441 HB VAL 61 HB VAL 61 9.000 2.351 -0.421 442 HG11 VAL 61 1HG1 VAL 61 11.666 1.995 -1.211 443 HG12 VAL 61 2HG1 VAL 61 11.579 3.609 -0.504 444 HG13 VAL 61 3HG1 VAL 61 11.048 2.208 0.427 445 HG21 VAL 61 1HG2 VAL 61 9.395 4.754 -0.276 446 HG22 VAL 61 2HG2 VAL 61 10.018 4.762 -1.926 447 HG23 VAL 61 3HG2 VAL 61 8.324 4.373 -1.625 448 H VAL 62 H VAL 62 8.818 3.070 -4.691 449 HA VAL 62 HA VAL 62 11.435 4.276 -5.273 450 HB VAL 62 HB VAL 62 9.758 2.740 -7.263 451 HG11 VAL 62 1HG1 VAL 62 11.163 4.865 -7.930 452 HG12 VAL 62 2HG1 VAL 62 12.507 3.724 -7.843 453 HG13 VAL 62 3HG1 VAL 62 11.159 3.420 -8.941 454 HG21 VAL 62 1HG2 VAL 62 12.560 2.039 -6.501 455 HG22 VAL 62 2HG2 VAL 62 11.221 1.520 -5.477 456 HG23 VAL 62 3HG2 VAL 62 11.288 1.014 -7.166 457 H ASP 63 H ASP 63 11.306 6.347 -5.838 458 HA ASP 63 HA ASP 63 8.703 7.565 -6.181 459 HB2 ASP 63 1HB ASP 63 10.164 8.813 -4.806 460 HB3 ASP 63 2HB ASP 63 11.502 8.651 -5.939 461 H ASN 64 H ASN 64 7.807 8.199 -8.044 462 HA ASN 64 HA ASN 64 8.983 7.419 -10.522 463 HB2 ASN 64 1HB ASN 64 6.493 9.006 -9.875 464 HB3 ASN 64 2HB ASN 64 6.955 8.544 -11.511 465 HD21 ASN 64 1HD2 ASN 64 6.235 7.237 -8.314 466 HD22 ASN 64 2HD2 ASN 64 5.588 5.737 -8.878 467 H GLY 65 H GLY 65 8.302 10.557 -8.999 468 HA2 GLY 65 1HA GLY 65 10.051 12.273 -9.238 469 HA3 GLY 65 2HA GLY 65 10.199 11.768 -10.915 470 H ASP 66 H ASP 66 7.170 11.505 -10.977 471 HA ASP 66 HA ASP 66 6.687 14.264 -11.752 472 HB2 ASP 66 1HB ASP 66 5.250 11.666 -12.204 473 HB3 ASP 66 2HB ASP 66 4.432 13.199 -12.497 474 H GLY 67 H GLY 67 5.433 11.872 -9.470 475 HA2 GLY 67 1HA GLY 67 4.844 13.455 -7.373 476 HA3 GLY 67 2HA GLY 67 3.461 13.722 -8.425 477 H THR 68 H THR 68 5.190 10.677 -8.133 478 HA THR 68 HA THR 68 3.129 9.550 -6.418 479 HB THR 68 HB THR 68 2.576 7.724 -7.945 480 HG1 THR 68 1HG THR 68 4.722 8.274 -9.175 481 HG21 THR 68 1HG2 THR 68 2.166 10.284 -9.468 482 HG22 THR 68 2HG2 THR 68 1.329 9.958 -7.951 483 HG23 THR 68 3HG2 THR 68 1.087 8.897 -9.337 484 H HIS 69 H HIS 69 3.600 7.072 -6.186 485 HA HIS 69 HA HIS 69 6.440 6.455 -6.373 486 HB2 HIS 69 1HB HIS 69 5.004 6.270 -3.721 487 HB3 HIS 69 2HB HIS 69 6.710 5.963 -4.036 488 HD1 HIS 69 1HD HIS 69 8.114 7.805 -3.209 489 HD2 HIS 69 2HD HIS 69 4.439 9.179 -4.574 490 HE1 HIS 69 1HE HIS 69 8.159 10.296 -2.868 491 HE2 HIS 69 2HE HIS 69 5.892 11.095 -3.622 492 H THR 70 H THR 70 6.688 4.426 -7.022 493 HA THR 70 HA THR 70 4.403 2.643 -7.057 494 HB THR 70 HB THR 70 7.189 2.371 -8.191 495 HG1 THR 70 1HG THR 70 5.820 2.394 -10.172 496 HG21 THR 70 1HG2 THR 70 6.325 0.167 -7.528 497 HG22 THR 70 2HG2 THR 70 6.414 0.331 -9.282 498 HG23 THR 70 3HG2 THR 70 4.859 0.468 -8.460 499 H VAL 71 H VAL 71 4.208 0.726 -5.970 500 HA VAL 71 HA VAL 71 6.352 0.015 -4.084 501 HB VAL 71 HB VAL 71 3.400 0.019 -3.436 502 HG11 VAL 71 1HG1 VAL 71 5.270 -1.654 -2.418 503 HG12 VAL 71 2HG1 VAL 71 5.393 -0.294 -1.298 504 HG13 VAL 71 3HG1 VAL 71 3.844 -1.104 -1.538 505 HG21 VAL 71 1HG2 VAL 71 5.601 1.771 -2.349 506 HG22 VAL 71 2HG2 VAL 71 4.394 2.277 -3.532 507 HG23 VAL 71 3HG2 VAL 71 3.896 1.824 -1.902 508 H THR 72 H THR 72 7.081 -1.844 -4.931 509 HA THR 72 HA THR 72 5.172 -3.820 -5.938 510 HB THR 72 HB THR 72 7.220 -5.037 -6.721 511 HG1 THR 72 1HG THR 72 9.161 -4.252 -6.287 512 HG21 THR 72 1HG2 THR 72 5.878 -3.183 -7.993 513 HG22 THR 72 2HG2 THR 72 7.397 -3.785 -8.654 514 HG23 THR 72 3HG2 THR 72 7.360 -2.250 -7.789 515 H TYR 73 H TYR 73 4.776 -5.727 -4.959 516 HA TYR 73 HA TYR 73 6.530 -6.763 -2.910 517 HB2 TYR 73 1HB TYR 73 5.145 -6.548 -1.062 518 HB3 TYR 73 2HB TYR 73 4.881 -5.013 -1.883 519 HD1 TYR 73 2HD TYR 73 3.416 -8.285 -1.081 520 HD2 TYR 73 1HD TYR 73 2.756 -4.494 -2.896 521 HE1 TYR 73 2HE TYR 73 0.999 -8.739 -1.138 522 HE2 TYR 73 1HE TYR 73 0.338 -4.936 -2.956 523 HH TYR 73 HH TYR 73 -1.306 -6.288 -2.186 524 H THR 74 H THR 74 5.404 -8.782 -1.880 525 HA THR 74 HA THR 74 3.577 -10.134 -3.686 526 HB THR 74 HB THR 74 6.339 -11.255 -3.166 527 HG1 THR 74 1HG THR 74 5.116 -10.023 -5.395 528 HG21 THR 74 1HG2 THR 74 5.683 -13.234 -4.086 529 HG22 THR 74 2HG2 THR 74 4.465 -12.478 -5.114 530 HG23 THR 74 3HG2 THR 74 4.133 -12.743 -3.403 531 HA PRO 75 HA PRO 75 2.409 -11.483 0.413 532 HB2 PRO 75 1HB PRO 75 0.164 -12.790 -0.379 533 HB3 PRO 75 2HB PRO 75 0.245 -11.032 -0.216 534 HG2 PRO 75 1HG PRO 75 0.470 -12.719 -2.678 535 HG3 PRO 75 2HG PRO 75 -0.419 -11.204 -2.438 536 HD2 PRO 75 1HD PRO 75 1.994 -11.298 -3.661 537 HD3 PRO 75 2HD PRO 75 1.471 -9.909 -2.688 538 H SER 76 H SER 76 4.024 -12.974 0.876 539 HA SER 76 HA SER 76 4.839 -15.236 -0.269 540 HB2 SER 76 1HB SER 76 5.307 -14.264 2.132 541 HB3 SER 76 2HB SER 76 4.127 -15.476 2.630 542 HG SER 76 HG SER 76 5.563 -16.972 2.311 543 H GLN 77 H GLN 77 2.080 -15.277 1.996 544 HA GLN 77 HA GLN 77 0.962 -17.510 0.439 545 HB2 GLN 77 1HB GLN 77 0.217 -18.584 2.467 546 HB3 GLN 77 2HB GLN 77 1.948 -18.296 2.580 547 HG2 GLN 77 1HG GLN 77 1.139 -16.084 3.774 548 HG3 GLN 77 2HG GLN 77 -0.287 -17.070 4.094 549 HE21 GLN 77 1HE2 GLN 77 0.316 -16.826 6.333 550 HE22 GLN 77 2HE2 GLN 77 1.512 -17.872 7.013 551 H GLU 78 H GLU 78 -1.404 -17.804 0.801 552 HA GLU 78 HA GLU 78 -2.741 -15.310 0.430 553 HB2 GLU 78 1HB GLU 78 -4.739 -16.626 0.104 554 HB3 GLU 78 2HB GLU 78 -3.400 -17.402 -0.729 555 HG2 GLU 78 1HG GLU 78 -3.352 -19.183 0.702 556 HG3 GLU 78 2HG GLU 78 -4.041 -18.266 2.041 557 H GLY 79 H GLY 79 -4.807 -14.814 1.646 558 HA2 GLY 79 1HA GLY 79 -5.891 -15.363 3.887 559 HA3 GLY 79 2HA GLY 79 -4.275 -15.119 4.531 560 HA PRO 80 HA PRO 80 -6.790 -11.108 4.406 561 HB2 PRO 80 1HB PRO 80 -7.095 -10.803 7.087 562 HB3 PRO 80 2HB PRO 80 -8.261 -11.671 6.080 563 HG2 PRO 80 1HG PRO 80 -6.076 -12.757 7.814 564 HG3 PRO 80 2HG PRO 80 -7.742 -13.331 7.623 565 HD2 PRO 80 1HD PRO 80 -5.645 -14.511 6.382 566 HD3 PRO 80 2HD PRO 80 -7.268 -14.448 5.664 567 H TYR 81 H TYR 81 -4.819 -10.187 3.699 568 HA TYR 81 HA TYR 81 -2.734 -9.672 5.653 569 HB2 TYR 81 1HB TYR 81 -3.009 -9.407 2.704 570 HB3 TYR 81 2HB TYR 81 -1.882 -8.319 3.504 571 HD1 TYR 81 1HD TYR 81 -2.760 -11.946 3.814 572 HD2 TYR 81 2HD TYR 81 0.302 -9.024 3.375 573 HE1 TYR 81 1HE TYR 81 -1.066 -13.728 3.835 574 HE2 TYR 81 2HE TYR 81 2.005 -10.799 3.395 575 HH TYR 81 HH TYR 81 1.160 -14.160 3.229 576 H MET 82 H MET 82 -1.778 -7.345 5.518 577 HA MET 82 HA MET 82 -3.819 -5.285 5.306 578 HB2 MET 82 1HB MET 82 -4.007 -6.148 7.623 579 HB3 MET 82 2HB MET 82 -2.315 -5.750 7.887 580 HG2 MET 82 1HG MET 82 -2.712 -3.470 7.864 581 HG3 MET 82 2HG MET 82 -4.242 -3.646 7.009 582 HE1 MET 82 1HE MET 82 -2.332 -3.223 9.941 583 HE2 MET 82 2HE MET 82 -3.493 -3.025 11.253 584 HE3 MET 82 3HE MET 82 -2.799 -4.613 10.921 585 H VAL 83 H VAL 83 -2.912 -3.714 4.167 586 HA VAL 83 HA VAL 83 -0.011 -3.295 4.377 587 HB VAL 83 HB VAL 83 -1.929 -2.406 2.218 588 HG11 VAL 83 1HG1 VAL 83 -0.373 -0.928 1.643 589 HG12 VAL 83 2HG1 VAL 83 0.713 -1.510 2.906 590 HG13 VAL 83 3HG1 VAL 83 0.720 -2.272 1.316 591 HG21 VAL 83 1HG2 VAL 83 -1.017 -4.918 2.610 592 HG22 VAL 83 2HG2 VAL 83 -1.389 -4.240 1.024 593 HG23 VAL 83 3HG2 VAL 83 0.276 -4.258 1.607 594 H SER 84 H SER 84 0.194 -1.928 6.102 595 HA SER 84 HA SER 84 -1.510 0.368 6.429 596 HB2 SER 84 1HB SER 84 -0.732 -0.557 8.458 597 HB3 SER 84 2HB SER 84 0.930 -0.651 7.875 598 HG SER 84 HG SER 84 -0.294 1.360 9.166 599 H VAL 85 H VAL 85 -0.985 2.519 6.136 600 HA VAL 85 HA VAL 85 1.580 3.145 4.864 601 HB VAL 85 HB VAL 85 -1.082 4.027 3.739 602 HG11 VAL 85 1HG1 VAL 85 0.842 5.643 3.576 603 HG12 VAL 85 2HG1 VAL 85 1.665 4.442 2.578 604 HG13 VAL 85 3HG1 VAL 85 0.139 5.144 2.038 605 HG21 VAL 85 1HG2 VAL 85 -1.036 1.961 2.842 606 HG22 VAL 85 2HG2 VAL 85 0.138 2.680 1.738 607 HG23 VAL 85 3HG2 VAL 85 0.692 1.757 3.135 608 H LYS 86 H LYS 86 2.423 5.068 5.456 609 HA LYS 86 HA LYS 86 0.703 6.908 6.982 610 HB2 LYS 86 1HB LYS 86 2.520 5.418 8.220 611 HB3 LYS 86 2HB LYS 86 3.600 6.687 7.658 612 HG2 LYS 86 1HG LYS 86 2.398 8.352 8.858 613 HG3 LYS 86 2HG LYS 86 1.101 7.219 9.244 614 HD2 LYS 86 1HD LYS 86 2.843 5.852 10.472 615 HD3 LYS 86 2HD LYS 86 3.928 7.231 10.281 616 HE2 LYS 86 1HE LYS 86 1.849 8.527 11.294 617 HE3 LYS 86 2HE LYS 86 1.495 6.935 11.964 618 HZ1 LYS 86 1HZ LYS 86 3.087 7.181 13.467 619 HZ2 LYS 86 2HZ LYS 86 3.238 8.794 12.983 620 HZ3 LYS 86 3HZ LYS 86 4.236 7.610 12.301 621 H TYR 87 H TYR 87 1.782 9.119 7.206 622 HA TYR 87 HA TYR 87 3.581 9.862 5.071 623 HB2 TYR 87 1HB TYR 87 1.092 9.791 4.219 624 HB3 TYR 87 2HB TYR 87 0.970 11.326 5.073 625 HD1 TYR 87 1HD TYR 87 3.010 9.570 2.496 626 HD2 TYR 87 2HD TYR 87 1.630 13.295 4.019 627 HE1 TYR 87 1HE TYR 87 3.991 10.720 0.555 628 HE2 TYR 87 2HE TYR 87 2.606 14.455 2.083 629 HH TYR 87 HH TYR 87 3.224 13.811 -0.330 630 H ALA 88 H ALA 88 4.950 11.220 5.993 631 HA ALA 88 HA ALA 88 5.845 12.824 7.340 632 HB1 ALA 88 1HB ALA 88 3.227 14.213 7.589 633 HB2 ALA 88 2HB ALA 88 4.833 14.870 7.267 634 HB3 ALA 88 3HB ALA 88 3.942 14.051 5.984 635 H ASP 89 H ASP 89 4.653 10.474 8.579 636 HA ASP 89 HA ASP 89 4.452 9.689 10.715 637 HB2 ASP 89 1HB ASP 89 5.925 11.823 11.170 638 HB3 ASP 89 2HB ASP 89 4.433 12.452 11.864 639 H GLU 90 H GLU 90 2.220 10.460 9.025 640 HA GLU 90 HA GLU 90 0.175 10.596 11.112 641 HB2 GLU 90 1HB GLU 90 0.221 12.362 8.659 642 HB3 GLU 90 2HB GLU 90 -1.160 12.184 9.732 643 HG2 GLU 90 1HG GLU 90 0.641 12.869 11.548 644 HG3 GLU 90 2HG GLU 90 1.396 13.621 10.145 645 H GLU 91 H GLU 91 -0.749 8.658 10.874 646 HA GLU 91 HA GLU 91 -0.832 7.089 8.594 647 HB2 GLU 91 1HB GLU 91 -2.320 7.160 11.153 648 HB3 GLU 91 2HB GLU 91 -3.074 6.259 9.845 649 HG2 GLU 91 1HG GLU 91 -1.364 4.710 9.747 650 HG3 GLU 91 2HG GLU 91 -0.208 5.784 10.535 651 H ILE 92 H ILE 92 -1.709 7.512 6.688 652 HA ILE 92 HA ILE 92 -3.486 9.549 6.093 653 HB ILE 92 HB ILE 92 -3.891 8.431 3.957 654 HG12 ILE 92 1HG1 ILE 92 -2.277 6.112 5.023 655 HG13 ILE 92 2HG1 ILE 92 -4.037 6.121 4.994 656 HG21 ILE 92 1HG2 ILE 92 -1.784 9.662 4.358 657 HG22 ILE 92 2HG2 ILE 92 -1.014 8.142 4.811 658 HG23 ILE 92 3HG2 ILE 92 -1.611 8.373 3.167 659 HD11 ILE 92 1HD1 ILE 92 -2.152 5.576 2.876 660 HD12 ILE 92 2HD1 ILE 92 -3.881 5.238 2.968 661 HD13 ILE 92 3HD1 ILE 92 -3.319 6.815 2.416 662 HA PRO 93 HA PRO 93 -7.484 8.201 7.312 663 HB2 PRO 93 1HB PRO 93 -9.019 9.364 5.397 664 HB3 PRO 93 2HB PRO 93 -8.236 10.281 6.690 665 HG2 PRO 93 1HG PRO 93 -7.368 9.891 3.852 666 HG3 PRO 93 2HG PRO 93 -7.357 11.369 4.832 667 HD2 PRO 93 1HD PRO 93 -5.132 9.885 4.408 668 HD3 PRO 93 2HD PRO 93 -5.405 10.787 5.912 669 H ARG 94 H ARG 94 -5.919 6.930 4.728 670 HA ARG 94 HA ARG 94 -8.205 5.236 3.962 671 HB2 ARG 94 1HB ARG 94 -5.767 6.057 2.383 672 HB3 ARG 94 2HB ARG 94 -6.853 4.772 1.875 673 HG2 ARG 94 1HG ARG 94 -8.034 7.420 2.508 674 HG3 ARG 94 2HG ARG 94 -7.120 7.247 1.008 675 HD2 ARG 94 1HD ARG 94 -8.551 5.203 0.545 676 HD3 ARG 94 2HD ARG 94 -9.571 5.740 1.879 677 HE ARG 94 HE ARG 94 -9.358 7.924 0.251 678 HH11 ARG 94 1HH1 ARG 94 -10.397 4.627 -0.162 679 HH12 ARG 94 2HH1 ARG 94 -11.536 5.005 -1.412 680 HH21 ARG 94 1HH2 ARG 94 -10.853 8.435 -1.393 681 HH22 ARG 94 2HH2 ARG 94 -11.794 7.170 -2.112 682 H SER 95 H SER 95 -5.573 5.248 5.870 683 HA SER 95 HA SER 95 -4.982 2.400 5.391 684 HB2 SER 95 1HB SER 95 -2.888 3.298 5.173 685 HB3 SER 95 2HB SER 95 -3.267 4.700 6.173 686 HG SER 95 HG SER 95 -2.722 3.620 7.929 687 HA PRO 96 HA PRO 96 -3.527 1.001 6.644 688 HB2 PRO 96 1HB PRO 96 -4.395 -1.455 7.410 689 HB3 PRO 96 2HB PRO 96 -3.299 -0.474 8.391 690 HG2 PRO 96 1HG PRO 96 -6.260 -0.836 8.644 691 HG3 PRO 96 2HG PRO 96 -5.024 -0.805 9.915 692 HD2 PRO 96 1HD PRO 96 -6.586 1.333 9.351 693 HD3 PRO 96 2HD PRO 96 -4.916 1.498 9.930 694 H PHE 97 H PHE 97 -3.904 -0.994 5.164 695 HA PHE 97 HA PHE 97 -6.468 -0.623 3.761 696 HB2 PHE 97 1HB PHE 97 -3.706 -1.154 2.666 697 HB3 PHE 97 2HB PHE 97 -5.166 -1.351 1.703 698 HD1 PHE 97 2HD PHE 97 -3.021 1.068 3.443 699 HD2 PHE 97 1HD PHE 97 -6.362 0.531 0.863 700 HE1 PHE 97 2HE PHE 97 -2.968 3.464 2.883 701 HE2 PHE 97 1HE PHE 97 -6.315 2.925 0.298 702 HZ PHE 97 HZ PHE 97 -4.617 4.396 1.309 703 H LYS 98 H LYS 98 -7.750 -2.329 3.884 704 HA LYS 98 HA LYS 98 -6.764 -4.900 4.716 705 HB2 LYS 98 1HB LYS 98 -9.520 -3.977 3.883 706 HB3 LYS 98 2HB LYS 98 -9.158 -5.586 4.495 707 HG2 LYS 98 1HG LYS 98 -8.684 -4.796 6.638 708 HG3 LYS 98 2HG LYS 98 -8.488 -3.133 6.079 709 HD2 LYS 98 1HD LYS 98 -10.882 -3.019 5.580 710 HD3 LYS 98 2HD LYS 98 -11.077 -4.684 6.133 711 HE2 LYS 98 1HE LYS 98 -11.731 -3.402 7.970 712 HE3 LYS 98 2HE LYS 98 -10.070 -3.859 8.342 713 HZ1 LYS 98 1HZ LYS 98 -11.179 -1.272 8.046 714 HZ2 LYS 98 2HZ LYS 98 -9.920 -1.485 6.937 715 HZ3 LYS 98 3HZ LYS 98 -9.638 -1.714 8.589 716 H VAL 99 H VAL 99 -5.808 -6.243 3.345 717 HA VAL 99 HA VAL 99 -6.945 -6.535 0.644 718 HB VAL 99 HB VAL 99 -4.008 -6.555 1.357 719 HG11 VAL 99 1HG1 VAL 99 -5.507 -7.474 -1.029 720 HG12 VAL 99 2HG1 VAL 99 -3.999 -6.601 -1.305 721 HG13 VAL 99 3HG1 VAL 99 -4.001 -8.075 -0.334 722 HG21 VAL 99 1HG2 VAL 99 -5.130 -4.730 -0.685 723 HG22 VAL 99 2HG2 VAL 99 -5.499 -4.365 1.000 724 HG23 VAL 99 3HG2 VAL 99 -3.820 -4.475 0.468 725 H LYS 100 H LYS 100 -7.990 -8.435 0.858 726 HA LYS 100 HA LYS 100 -6.813 -10.643 2.313 727 HB2 LYS 100 1HB LYS 100 -9.284 -10.100 2.296 728 HB3 LYS 100 2HB LYS 100 -9.321 -10.669 0.632 729 HG2 LYS 100 1HG LYS 100 -8.394 -12.856 1.493 730 HG3 LYS 100 2HG LYS 100 -8.729 -12.249 3.116 731 HD2 LYS 100 1HD LYS 100 -11.037 -12.223 2.759 732 HD3 LYS 100 2HD LYS 100 -10.858 -12.273 1.004 733 HE2 LYS 100 1HE LYS 100 -10.128 -14.519 2.879 734 HE3 LYS 100 2HE LYS 100 -11.638 -14.414 1.976 735 HZ1 LYS 100 1HZ LYS 100 -10.387 -15.698 0.586 736 HZ2 LYS 100 2HZ LYS 100 -8.925 -14.958 1.004 737 HZ3 LYS 100 3HZ LYS 100 -10.007 -14.170 -0.031 738 H VAL 101 H VAL 101 -5.109 -11.546 1.302 739 HA VAL 101 HA VAL 101 -4.839 -11.784 -1.506 740 HB VAL 101 HB VAL 101 -3.419 -13.423 0.595 741 HG11 VAL 101 1HG1 VAL 101 -2.753 -12.721 -2.260 742 HG12 VAL 101 2HG1 VAL 101 -1.613 -13.455 -1.130 743 HG13 VAL 101 3HG1 VAL 101 -3.076 -14.322 -1.595 744 HG21 VAL 101 1HG2 VAL 101 -1.800 -11.729 0.794 745 HG22 VAL 101 2HG2 VAL 101 -2.427 -10.848 -0.600 746 HG23 VAL 101 3HG2 VAL 101 -3.351 -10.896 0.902 747 H LEU 102 H LEU 102 -5.074 -13.552 -2.862 748 HA LEU 102 HA LEU 102 -6.739 -15.734 -1.790 749 HB2 LEU 102 1HB LEU 102 -6.711 -14.373 -4.464 750 HB3 LEU 102 2HB LEU 102 -7.428 -15.968 -4.249 751 HG LEU 102 HG LEU 102 -8.302 -13.559 -2.670 752 HD11 LEU 102 1HD1 LEU 102 -10.165 -13.358 -4.232 753 HD12 LEU 102 2HD1 LEU 102 -9.467 -14.629 -5.237 754 HD13 LEU 102 3HD1 LEU 102 -8.620 -13.094 -5.043 755 HD21 LEU 102 1HD2 LEU 102 -10.149 -14.851 -2.045 756 HD22 LEU 102 2HD2 LEU 102 -8.779 -15.953 -1.913 757 HD23 LEU 102 3HD2 LEU 102 -9.855 -16.047 -3.308 758 HA PRO 103 HA PRO 103 -3.730 -18.704 -2.970 759 HB2 PRO 103 1HB PRO 103 -5.293 -20.786 -3.741 760 HB3 PRO 103 2HB PRO 103 -5.107 -20.298 -2.052 761 HG2 PRO 103 1HG PRO 103 -7.320 -19.678 -3.969 762 HG3 PRO 103 2HG PRO 103 -7.418 -20.153 -2.263 763 HD2 PRO 103 1HD PRO 103 -7.670 -17.582 -3.077 764 HD3 PRO 103 2HD PRO 103 -6.953 -18.023 -1.514 765 H THR 104 H THR 104 -2.489 -18.592 -4.723 766 HA THR 104 HA THR 104 -2.960 -17.672 -7.182 767 HB THR 104 HB THR 104 -1.252 -20.080 -6.538 768 HG1 THR 104 1HG THR 104 0.406 -18.423 -6.644 769 HG21 THR 104 1HG2 THR 104 -1.853 -19.906 -8.964 770 HG22 THR 104 2HG2 THR 104 -0.129 -19.750 -8.630 771 HG23 THR 104 3HG2 THR 104 -1.093 -18.315 -8.980 772 H TYR 105 H TYR 105 -3.975 -20.806 -6.013 773 HA TYR 105 HA TYR 105 -5.209 -21.357 -8.630 774 HB2 TYR 105 1HB TYR 105 -4.736 -23.408 -6.475 775 HB3 TYR 105 2HB TYR 105 -5.062 -23.677 -8.184 776 HD1 TYR 105 1HD TYR 105 -2.510 -22.522 -5.769 777 HD2 TYR 105 2HD TYR 105 -3.300 -23.716 -9.777 778 HE1 TYR 105 1HE TYR 105 -0.093 -22.645 -6.203 779 HE2 TYR 105 2HE TYR 105 -0.884 -23.843 -10.221 780 HH TYR 105 HH TYR 105 1.208 -22.874 -9.312 781 H ASP 106 H ASP 106 -7.264 -22.671 -8.459 782 HA ASP 106 HA ASP 106 -8.876 -21.769 -6.163 783 HB2 ASP 106 1HB ASP 106 -9.343 -20.495 -8.276 784 HB3 ASP 106 2HB ASP 106 -9.868 -22.008 -9.009 785 H ALA 107 H ALA 107 -11.031 -23.044 -6.111 786 HA ALA 107 HA ALA 107 -10.417 -25.890 -6.579 787 HB1 ALA 107 1HB ALA 107 -11.606 -26.457 -4.590 788 HB2 ALA 107 2HB ALA 107 -10.458 -25.181 -4.184 789 HB3 ALA 107 3HB ALA 107 -12.167 -24.797 -4.386 790 H SER 108 H SER 108 -11.628 -24.361 -8.568 791 HA SER 108 HA SER 108 -14.376 -25.427 -8.537 792 HB2 SER 108 1HB SER 108 -13.361 -22.828 -9.698 793 HB3 SER 108 2HB SER 108 -14.939 -23.509 -10.089 794 HG SER 108 HG SER 108 -15.264 -23.518 -7.721 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.565 40.365 -5.823 2 HA2 GLY 1 1HA GLY 1 5.606 39.906 -2.922 3 HA3 GLY 1 2HA GLY 1 4.466 40.928 -3.785 4 H SER 2 H SER 2 5.199 37.727 -2.705 5 HA SER 2 HA SER 2 2.599 36.803 -3.740 6 HB2 SER 2 1HB SER 2 3.570 34.490 -3.570 7 HB3 SER 2 2HB SER 2 4.355 35.517 -4.768 8 HG SER 2 HG SER 2 5.969 34.564 -3.604 9 H SER 3 H SER 3 1.611 35.043 -2.376 10 HA SER 3 HA SER 3 1.302 35.997 0.284 11 HB2 SER 3 1HB SER 3 0.295 33.491 -1.078 12 HB3 SER 3 2HB SER 3 -0.165 33.973 0.555 13 HG SER 3 HG SER 3 -0.446 35.870 -1.465 14 H GLY 4 H GLY 4 2.850 35.746 1.763 15 HA2 GLY 4 1HA GLY 4 4.825 33.729 1.710 16 HA3 GLY 4 2HA GLY 4 4.466 34.776 3.075 17 H SER 5 H SER 5 5.144 32.571 4.043 18 HA SER 5 HA SER 5 4.606 30.569 5.030 19 HB2 SER 5 1HB SER 5 3.499 32.380 6.422 20 HB3 SER 5 2HB SER 5 1.991 31.968 5.606 21 HG SER 5 HG SER 5 1.912 30.649 7.289 22 H SER 6 H SER 6 4.131 30.431 2.296 23 HA SER 6 HA SER 6 1.569 29.012 2.070 24 HB2 SER 6 1HB SER 6 3.360 30.362 0.077 25 HB3 SER 6 2HB SER 6 2.240 29.109 -0.457 26 HG SER 6 HG SER 6 1.649 31.577 0.792 27 H GLY 7 H GLY 7 1.598 26.872 2.172 28 HA2 GLY 7 1HA GLY 7 2.581 24.901 0.901 29 HA3 GLY 7 2HA GLY 7 4.118 25.478 1.527 30 H VAL 8 H VAL 8 1.195 23.769 2.229 31 HA VAL 8 HA VAL 8 2.285 23.067 4.878 32 HB VAL 8 HB VAL 8 0.220 24.449 5.034 33 HG11 VAL 8 1HG1 VAL 8 -0.986 23.834 3.092 34 HG12 VAL 8 2HG1 VAL 8 -0.963 22.125 3.532 35 HG13 VAL 8 3HG1 VAL 8 -1.935 23.264 4.465 36 HG21 VAL 8 1HG2 VAL 8 -0.599 21.771 6.006 37 HG22 VAL 8 2HG2 VAL 8 0.953 22.395 6.562 38 HG23 VAL 8 3HG2 VAL 8 -0.524 23.312 6.859 39 H VAL 9 H VAL 9 1.727 20.920 5.649 40 HA VAL 9 HA VAL 9 1.653 18.999 3.440 41 HB VAL 9 HB VAL 9 2.458 18.698 6.333 42 HG11 VAL 9 1HG1 VAL 9 1.508 16.625 5.909 43 HG12 VAL 9 2HG1 VAL 9 1.989 16.639 4.212 44 HG13 VAL 9 3HG1 VAL 9 3.197 16.373 5.469 45 HG21 VAL 9 1HG2 VAL 9 3.977 19.802 4.574 46 HG22 VAL 9 2HG2 VAL 9 4.654 18.512 5.569 47 HG23 VAL 9 3HG2 VAL 9 4.150 18.176 3.913 48 H ASP 10 H ASP 10 0.008 17.627 3.114 49 HA ASP 10 HA ASP 10 -2.033 17.342 5.209 50 HB2 ASP 10 1HB ASP 10 -2.535 18.997 3.195 51 HB3 ASP 10 2HB ASP 10 -2.928 17.493 2.366 52 HA PRO 11 HA PRO 11 -0.861 13.153 3.892 53 HB2 PRO 11 1HB PRO 11 -1.616 11.988 6.225 54 HB3 PRO 11 2HB PRO 11 -0.054 12.788 6.013 55 HG2 PRO 11 1HG PRO 11 -2.557 13.827 7.285 56 HG3 PRO 11 2HG PRO 11 -0.877 13.982 7.830 57 HD2 PRO 11 1HD PRO 11 -2.182 15.979 6.550 58 HD3 PRO 11 2HD PRO 11 -0.433 15.720 6.382 59 H SER 12 H SER 12 -3.743 14.713 4.302 60 HA SER 12 HA SER 12 -5.385 12.299 4.061 61 HB2 SER 12 1HB SER 12 -6.110 15.193 4.555 62 HB3 SER 12 2HB SER 12 -7.304 13.920 4.303 63 HG SER 12 HG SER 12 -6.427 12.855 6.135 64 H LYS 13 H LYS 13 -3.787 14.425 2.100 65 HA LYS 13 HA LYS 13 -5.799 14.382 -0.028 66 HB2 LYS 13 1HB LYS 13 -3.101 15.743 -0.035 67 HB3 LYS 13 2HB LYS 13 -4.420 15.998 -1.170 68 HG2 LYS 13 1HG LYS 13 -4.805 16.539 1.744 69 HG3 LYS 13 2HG LYS 13 -4.016 17.724 0.701 70 HD2 LYS 13 1HD LYS 13 -6.188 18.418 0.513 71 HD3 LYS 13 2HD LYS 13 -6.121 17.267 -0.825 72 HE2 LYS 13 1HE LYS 13 -7.380 15.699 0.283 73 HE3 LYS 13 2HE LYS 13 -6.899 16.281 1.876 74 HZ1 LYS 13 1HZ LYS 13 -8.305 18.325 0.587 75 HZ2 LYS 13 2HZ LYS 13 -8.755 17.454 1.965 76 HZ3 LYS 13 3HZ LYS 13 -9.213 16.906 0.432 77 H VAL 14 H VAL 14 -3.251 12.539 1.063 78 HA VAL 14 HA VAL 14 -2.265 11.721 -1.540 79 HB VAL 14 HB VAL 14 -0.647 11.802 0.239 80 HG11 VAL 14 1HG1 VAL 14 -1.106 11.241 2.340 81 HG12 VAL 14 2HG1 VAL 14 -2.746 10.838 1.828 82 HG13 VAL 14 3HG1 VAL 14 -1.500 9.590 1.861 83 HG21 VAL 14 1HG2 VAL 14 -0.976 9.693 -1.452 84 HG22 VAL 14 2HG2 VAL 14 0.437 9.951 -0.429 85 HG23 VAL 14 3HG2 VAL 14 -0.858 8.881 0.109 86 H LYS 15 H LYS 15 -2.930 10.005 -2.673 87 HA LYS 15 HA LYS 15 -4.679 8.044 -1.347 88 HB2 LYS 15 1HB LYS 15 -5.059 9.130 -4.144 89 HB3 LYS 15 2HB LYS 15 -6.077 7.942 -3.341 90 HG2 LYS 15 1HG LYS 15 -7.332 9.798 -2.990 91 HG3 LYS 15 2HG LYS 15 -6.307 9.879 -1.555 92 HD2 LYS 15 1HD LYS 15 -6.263 12.050 -2.443 93 HD3 LYS 15 2HD LYS 15 -4.742 11.323 -2.969 94 HE2 LYS 15 1HE LYS 15 -5.625 10.917 -5.159 95 HE3 LYS 15 2HE LYS 15 -7.241 11.408 -4.653 96 HZ1 LYS 15 1HZ LYS 15 -6.608 13.629 -4.530 97 HZ2 LYS 15 2HZ LYS 15 -5.840 13.083 -5.934 98 HZ3 LYS 15 3HZ LYS 15 -4.955 13.273 -4.505 99 H ILE 16 H ILE 16 -4.960 6.053 -2.839 100 HA ILE 16 HA ILE 16 -2.537 5.464 -4.363 101 HB ILE 16 HB ILE 16 -2.152 3.355 -3.220 102 HG12 ILE 16 1HG1 ILE 16 -4.391 4.234 -1.382 103 HG13 ILE 16 2HG1 ILE 16 -4.438 2.877 -2.503 104 HG21 ILE 16 1HG2 ILE 16 -1.291 4.220 -1.102 105 HG22 ILE 16 2HG2 ILE 16 -0.966 5.334 -2.429 106 HG23 ILE 16 3HG2 ILE 16 -2.271 5.672 -1.293 107 HD11 ILE 16 1HD1 ILE 16 -2.862 3.152 0.030 108 HD12 ILE 16 2HD1 ILE 16 -4.062 1.932 -0.400 109 HD13 ILE 16 3HD1 ILE 16 -2.484 1.931 -1.186 110 H ALA 17 H ALA 17 -2.896 4.191 -6.093 111 HA ALA 17 HA ALA 17 -5.357 2.610 -6.224 112 HB1 ALA 17 1HB ALA 17 -6.027 4.656 -7.252 113 HB2 ALA 17 2HB ALA 17 -4.561 4.710 -8.231 114 HB3 ALA 17 3HB ALA 17 -5.778 3.471 -8.534 115 H GLY 18 H GLY 18 -5.002 0.646 -7.043 116 HA2 GLY 18 1HA GLY 18 -3.417 0.015 -9.244 117 HA3 GLY 18 2HA GLY 18 -2.407 -0.179 -7.819 118 HA PRO 19 HA PRO 19 -5.185 -3.953 -8.686 119 HB2 PRO 19 1HB PRO 19 -3.304 -5.602 -9.741 120 HB3 PRO 19 2HB PRO 19 -4.310 -4.535 -10.729 121 HG2 PRO 19 1HG PRO 19 -1.496 -4.145 -9.783 122 HG3 PRO 19 2HG PRO 19 -2.197 -3.814 -11.378 123 HD2 PRO 19 1HD PRO 19 -1.763 -1.868 -9.546 124 HD3 PRO 19 2HD PRO 19 -3.109 -1.809 -10.702 125 H GLY 20 H GLY 20 -1.986 -3.408 -7.380 126 HA2 GLY 20 1HA GLY 20 -1.674 -5.819 -5.957 127 HA3 GLY 20 2HA GLY 20 -0.889 -4.295 -5.570 128 H LEU 21 H LEU 21 -3.267 -2.790 -5.097 129 HA LEU 21 HA LEU 21 -3.816 -3.698 -2.406 130 HB2 LEU 21 1HB LEU 21 -4.844 -1.268 -3.862 131 HB3 LEU 21 2HB LEU 21 -4.955 -1.573 -2.130 132 HG LEU 21 HG LEU 21 -2.257 -1.460 -3.391 133 HD11 LEU 21 1HD1 LEU 21 -3.262 0.492 -4.331 134 HD12 LEU 21 2HD1 LEU 21 -2.241 0.999 -2.987 135 HD13 LEU 21 3HD1 LEU 21 -3.990 0.928 -2.785 136 HD21 LEU 21 1HD2 LEU 21 -3.480 -0.932 -0.711 137 HD22 LEU 21 2HD2 LEU 21 -1.906 -0.254 -1.129 138 HD23 LEU 21 3HD2 LEU 21 -2.145 -2.003 -1.140 139 H GLY 22 H GLY 22 -5.278 -3.946 -5.475 140 HA2 GLY 22 1HA GLY 22 -8.001 -3.942 -4.874 141 HA3 GLY 22 2HA GLY 22 -7.260 -4.869 -6.169 142 H SER 23 H SER 23 -9.349 -6.054 -5.167 143 HA SER 23 HA SER 23 -8.585 -7.785 -2.953 144 HB2 SER 23 1HB SER 23 -10.897 -6.751 -3.179 145 HB3 SER 23 2HB SER 23 -11.167 -7.863 -4.520 146 HG SER 23 HG SER 23 -10.362 -9.456 -2.758 147 H GLY 24 H GLY 24 -8.432 -7.776 -6.327 148 HA2 GLY 24 1HA GLY 24 -8.637 -10.669 -6.610 149 HA3 GLY 24 2HA GLY 24 -8.363 -9.511 -7.904 150 H VAL 25 H VAL 25 -6.623 -10.186 -4.871 151 HA VAL 25 HA VAL 25 -4.132 -10.287 -6.412 152 HB VAL 25 HB VAL 25 -4.625 -9.983 -3.450 153 HG11 VAL 25 1HG1 VAL 25 -2.608 -11.348 -3.940 154 HG12 VAL 25 2HG1 VAL 25 -1.971 -9.997 -4.881 155 HG13 VAL 25 3HG1 VAL 25 -2.246 -9.815 -3.148 156 HG21 VAL 25 1HG2 VAL 25 -3.050 -7.907 -4.535 157 HG22 VAL 25 2HG2 VAL 25 -4.426 -8.132 -5.614 158 HG23 VAL 25 3HG2 VAL 25 -4.694 -7.810 -3.901 159 H ARG 26 H ARG 26 -2.678 -11.998 -6.242 160 HA ARG 26 HA ARG 26 -3.765 -14.459 -5.040 161 HB2 ARG 26 1HB ARG 26 -2.172 -14.157 -7.591 162 HB3 ARG 26 2HB ARG 26 -2.590 -15.697 -6.852 163 HG2 ARG 26 1HG ARG 26 -5.011 -14.982 -7.064 164 HG3 ARG 26 2HG ARG 26 -4.426 -13.677 -8.097 165 HD2 ARG 26 1HD ARG 26 -3.442 -15.289 -9.620 166 HD3 ARG 26 2HD ARG 26 -3.931 -16.615 -8.565 167 HE ARG 26 HE ARG 26 -6.270 -15.377 -9.121 168 HH11 ARG 26 1HH1 ARG 26 -3.677 -16.593 -11.101 169 HH12 ARG 26 2HH1 ARG 26 -4.705 -16.970 -12.444 170 HH21 ARG 26 1HH2 ARG 26 -7.633 -15.869 -10.882 171 HH22 ARG 26 2HH2 ARG 26 -6.954 -16.557 -12.318 172 H ALA 27 H ALA 27 -2.344 -15.825 -3.982 173 HA ALA 27 HA ALA 27 -0.127 -14.632 -2.718 174 HB1 ALA 27 1HB ALA 27 -1.486 -16.469 -1.756 175 HB2 ALA 27 2HB ALA 27 -0.745 -17.577 -2.911 176 HB3 ALA 27 3HB ALA 27 0.250 -16.777 -1.695 177 H ARG 28 H ARG 28 2.099 -15.094 -2.884 178 HA ARG 28 HA ARG 28 4.053 -15.306 -4.032 179 HB2 ARG 28 1HB ARG 28 2.654 -17.669 -5.294 180 HB3 ARG 28 2HB ARG 28 4.390 -17.397 -5.237 181 HG2 ARG 28 1HG ARG 28 4.156 -17.431 -2.707 182 HG3 ARG 28 2HG ARG 28 2.536 -18.077 -2.981 183 HD2 ARG 28 1HD ARG 28 5.148 -19.286 -3.878 184 HD3 ARG 28 2HD ARG 28 4.078 -19.896 -2.616 185 HE ARG 28 HE ARG 28 2.786 -19.678 -5.163 186 HH11 ARG 28 1HH1 ARG 28 4.838 -21.680 -3.186 187 HH12 ARG 28 2HH1 ARG 28 4.395 -23.151 -3.987 188 HH21 ARG 28 1HH2 ARG 28 2.196 -21.609 -6.225 189 HH22 ARG 28 2HH2 ARG 28 2.893 -23.109 -5.716 190 H VAL 29 H VAL 29 2.333 -13.437 -5.121 191 HA VAL 29 HA VAL 29 3.040 -13.621 -7.966 192 HB VAL 29 HB VAL 29 0.367 -12.750 -6.868 193 HG11 VAL 29 1HG1 VAL 29 0.653 -11.185 -8.524 194 HG12 VAL 29 2HG1 VAL 29 1.682 -12.238 -9.495 195 HG13 VAL 29 3HG1 VAL 29 -0.060 -12.509 -9.444 196 HG21 VAL 29 1HG2 VAL 29 0.050 -14.536 -8.985 197 HG22 VAL 29 2HG2 VAL 29 1.375 -15.195 -8.027 198 HG23 VAL 29 3HG2 VAL 29 -0.185 -14.871 -7.269 199 H LEU 30 H LEU 30 3.519 -11.663 -8.977 200 HA LEU 30 HA LEU 30 4.598 -9.648 -7.289 201 HB2 LEU 30 1HB LEU 30 5.539 -10.253 -9.485 202 HB3 LEU 30 2HB LEU 30 4.106 -9.584 -10.263 203 HG LEU 30 HG LEU 30 4.792 -7.378 -9.095 204 HD11 LEU 30 1HD1 LEU 30 7.529 -7.673 -9.237 205 HD12 LEU 30 2HD1 LEU 30 6.998 -9.135 -8.407 206 HD13 LEU 30 3HD1 LEU 30 6.567 -7.550 -7.763 207 HD21 LEU 30 1HD2 LEU 30 5.430 -6.758 -11.137 208 HD22 LEU 30 2HD2 LEU 30 5.237 -8.449 -11.601 209 HD23 LEU 30 3HD2 LEU 30 6.821 -7.841 -11.118 210 H GLN 31 H GLN 31 3.434 -8.184 -6.242 211 HA GLN 31 HA GLN 31 1.077 -7.042 -7.593 212 HB2 GLN 31 1HB GLN 31 1.451 -7.334 -4.610 213 HB3 GLN 31 2HB GLN 31 0.006 -6.780 -5.446 214 HG2 GLN 31 1HG GLN 31 1.174 -9.545 -5.676 215 HG3 GLN 31 2HG GLN 31 -0.169 -9.093 -4.627 216 HE21 GLN 31 1HE2 GLN 31 -0.677 -11.050 -6.308 217 HE22 GLN 31 2HE2 GLN 31 -1.653 -10.528 -7.634 218 H SER 32 H SER 32 1.077 -4.908 -7.897 219 HA SER 32 HA SER 32 2.689 -3.188 -6.176 220 HB2 SER 32 1HB SER 32 4.124 -3.851 -8.120 221 HB3 SER 32 2HB SER 32 2.945 -3.093 -9.190 222 HG SER 32 HG SER 32 3.393 -1.119 -8.247 223 H PHE 33 H PHE 33 2.166 -0.915 -6.401 224 HA PHE 33 HA PHE 33 -0.254 -0.268 -7.885 225 HB2 PHE 33 1HB PHE 33 -1.218 0.804 -5.778 226 HB3 PHE 33 2HB PHE 33 -1.282 -0.954 -5.868 227 HD1 PHE 33 1HD PHE 33 0.812 -2.170 -4.809 228 HD2 PHE 33 2HD PHE 33 -0.477 1.766 -3.834 229 HE1 PHE 33 1HE PHE 33 1.984 -2.325 -2.652 230 HE2 PHE 33 2HE PHE 33 0.693 1.619 -1.675 231 HZ PHE 33 HZ PHE 33 1.927 -0.428 -1.082 232 H THR 34 H THR 34 -0.832 2.171 -7.236 233 HA THR 34 HA THR 34 1.705 3.672 -7.320 234 HB THR 34 HB THR 34 -0.873 4.394 -8.726 235 HG1 THR 34 1HG THR 34 0.688 2.592 -9.499 236 HG21 THR 34 1HG2 THR 34 1.085 5.888 -9.870 237 HG22 THR 34 2HG2 THR 34 1.636 5.837 -8.195 238 HG23 THR 34 3HG2 THR 34 0.029 6.456 -8.577 239 H VAL 35 H VAL 35 1.963 5.255 -5.869 240 HA VAL 35 HA VAL 35 -0.364 5.995 -4.220 241 HB VAL 35 HB VAL 35 2.565 6.130 -3.488 242 HG11 VAL 35 1HG1 VAL 35 0.478 7.599 -2.457 243 HG12 VAL 35 2HG1 VAL 35 0.604 6.238 -1.341 244 HG13 VAL 35 3HG1 VAL 35 2.007 7.263 -1.647 245 HG21 VAL 35 1HG2 VAL 35 0.752 4.347 -2.010 246 HG22 VAL 35 2HG2 VAL 35 1.089 3.866 -3.673 247 HG23 VAL 35 3HG2 VAL 35 2.417 4.094 -2.535 248 H ASP 36 H ASP 36 -1.174 7.879 -4.878 249 HA ASP 36 HA ASP 36 0.566 9.930 -5.989 250 HB2 ASP 36 1HB ASP 36 -1.613 9.383 -7.064 251 HB3 ASP 36 2HB ASP 36 -2.436 9.965 -5.620 252 H SER 37 H SER 37 1.593 11.201 -4.595 253 HA SER 37 HA SER 37 0.077 12.252 -2.297 254 HB2 SER 37 1HB SER 37 1.956 12.071 -0.879 255 HB3 SER 37 2HB SER 37 1.923 10.544 -1.759 256 HG SER 37 HG SER 37 3.371 11.942 -3.274 257 H SER 38 H SER 38 0.614 13.291 -5.048 258 HA SER 38 HA SER 38 2.497 15.409 -4.856 259 HB2 SER 38 1HB SER 38 1.543 16.199 -6.954 260 HB3 SER 38 2HB SER 38 1.732 14.447 -7.013 261 HG SER 38 HG SER 38 -0.296 14.862 -7.754 262 H LYS 39 H LYS 39 -0.922 15.113 -4.159 263 HA LYS 39 HA LYS 39 -1.236 17.960 -3.715 264 HB2 LYS 39 1HB LYS 39 -3.136 15.643 -3.316 265 HB3 LYS 39 2HB LYS 39 -3.560 17.331 -3.060 266 HG2 LYS 39 1HG LYS 39 -2.473 16.428 -5.694 267 HG3 LYS 39 2HG LYS 39 -4.177 16.198 -5.293 268 HD2 LYS 39 1HD LYS 39 -2.861 18.874 -4.978 269 HD3 LYS 39 2HD LYS 39 -3.482 18.345 -6.542 270 HE2 LYS 39 1HE LYS 39 -5.681 17.911 -5.396 271 HE3 LYS 39 2HE LYS 39 -5.016 18.719 -3.977 272 HZ1 LYS 39 1HZ LYS 39 -5.070 20.025 -6.629 273 HZ2 LYS 39 2HZ LYS 39 -4.882 20.742 -5.110 274 HZ3 LYS 39 3HZ LYS 39 -6.385 20.114 -5.568 275 H ALA 40 H ALA 40 -0.171 15.293 -1.950 276 HA ALA 40 HA ALA 40 -1.106 16.132 0.636 277 HB1 ALA 40 1HB ALA 40 -0.358 14.148 1.358 278 HB2 ALA 40 2HB ALA 40 -0.179 13.770 -0.356 279 HB3 ALA 40 3HB ALA 40 1.208 14.342 0.569 280 H GLY 41 H GLY 41 1.824 16.516 -1.273 281 HA2 GLY 41 1HA GLY 41 2.870 18.779 -0.676 282 HA3 GLY 41 2HA GLY 41 3.021 18.072 0.925 283 H LEU 42 H LEU 42 5.190 17.930 1.138 284 HA LEU 42 HA LEU 42 6.617 16.323 -0.879 285 HB2 LEU 42 1HB LEU 42 8.661 17.568 -0.203 286 HB3 LEU 42 2HB LEU 42 7.441 18.550 -1.010 287 HG LEU 42 HG LEU 42 8.709 19.492 1.051 288 HD11 LEU 42 1HD1 LEU 42 5.733 19.649 0.646 289 HD12 LEU 42 2HD1 LEU 42 6.973 20.736 0.022 290 HD13 LEU 42 3HD1 LEU 42 6.620 20.701 1.749 291 HD21 LEU 42 1HD2 LEU 42 7.617 19.040 3.178 292 HD22 LEU 42 2HD2 LEU 42 8.305 17.564 2.504 293 HD23 LEU 42 3HD2 LEU 42 6.568 17.853 2.403 294 H ALA 43 H ALA 43 5.210 15.713 1.761 295 HA ALA 43 HA ALA 43 7.309 14.884 3.538 296 HB1 ALA 43 1HB ALA 43 4.607 13.715 3.814 297 HB2 ALA 43 2HB ALA 43 5.670 14.424 5.031 298 HB3 ALA 43 3HB ALA 43 4.737 15.468 3.960 299 HA PRO 44 HA PRO 44 8.211 10.911 1.896 300 HB2 PRO 44 1HB PRO 44 8.829 9.559 4.167 301 HB3 PRO 44 2HB PRO 44 9.887 10.787 3.462 302 HG2 PRO 44 1HG PRO 44 7.957 11.029 5.737 303 HG3 PRO 44 2HG PRO 44 9.604 11.670 5.594 304 HD2 PRO 44 1HD PRO 44 7.405 13.200 5.198 305 HD3 PRO 44 2HD PRO 44 8.927 13.471 4.325 306 H LEU 45 H LEU 45 7.600 8.606 2.024 307 HA LEU 45 HA LEU 45 4.922 8.221 3.187 308 HB2 LEU 45 1HB LEU 45 4.546 8.444 0.876 309 HB3 LEU 45 2HB LEU 45 5.959 7.471 0.472 310 HG LEU 45 HG LEU 45 4.586 5.575 1.681 311 HD11 LEU 45 1HD1 LEU 45 2.126 6.207 0.691 312 HD12 LEU 45 2HD1 LEU 45 2.659 7.750 1.357 313 HD13 LEU 45 3HD1 LEU 45 2.599 6.320 2.386 314 HD21 LEU 45 1HD2 LEU 45 4.619 4.772 -0.387 315 HD22 LEU 45 2HD2 LEU 45 5.011 6.385 -0.983 316 HD23 LEU 45 3HD2 LEU 45 3.327 5.873 -0.868 317 H GLU 46 H GLU 46 4.577 6.363 4.281 318 HA GLU 46 HA GLU 46 6.750 4.370 4.271 319 HB2 GLU 46 1HB GLU 46 6.351 5.882 6.373 320 HB3 GLU 46 2HB GLU 46 4.999 4.796 6.664 321 HG2 GLU 46 1HG GLU 46 6.909 4.053 7.912 322 HG3 GLU 46 2HG GLU 46 6.554 2.890 6.635 323 H VAL 47 H VAL 47 6.171 2.187 4.501 324 HA VAL 47 HA VAL 47 3.320 1.534 4.373 325 HB VAL 47 HB VAL 47 5.344 0.509 2.378 326 HG11 VAL 47 1HG1 VAL 47 2.511 -0.231 2.985 327 HG12 VAL 47 2HG1 VAL 47 3.142 -0.400 1.347 328 HG13 VAL 47 3HG1 VAL 47 3.898 -1.274 2.679 329 HG21 VAL 47 1HG2 VAL 47 4.864 2.479 1.392 330 HG22 VAL 47 2HG2 VAL 47 3.386 1.648 0.907 331 HG23 VAL 47 3HG2 VAL 47 3.381 2.704 2.319 332 H ARG 48 H ARG 48 2.803 -0.586 5.016 333 HA ARG 48 HA ARG 48 4.949 -2.323 5.932 334 HB2 ARG 48 1HB ARG 48 3.056 -0.882 7.738 335 HB3 ARG 48 2HB ARG 48 3.538 -2.520 8.157 336 HG2 ARG 48 1HG ARG 48 5.677 -0.588 7.459 337 HG3 ARG 48 2HG ARG 48 4.862 -0.401 9.013 338 HD2 ARG 48 1HD ARG 48 6.179 -2.926 8.020 339 HD3 ARG 48 2HD ARG 48 6.883 -1.795 9.175 340 HE ARG 48 HE ARG 48 4.314 -2.788 9.979 341 HH11 ARG 48 1HH1 ARG 48 7.737 -3.425 9.957 342 HH12 ARG 48 2HH1 ARG 48 7.685 -4.462 11.344 343 HH21 ARG 48 1HH2 ARG 48 4.233 -4.152 11.806 344 HH22 ARG 48 2HH2 ARG 48 5.691 -4.875 12.394 345 H VAL 49 H VAL 49 4.429 -4.441 5.808 346 HA VAL 49 HA VAL 49 1.631 -5.095 5.146 347 HB VAL 49 HB VAL 49 4.159 -6.442 4.188 348 HG11 VAL 49 1HG1 VAL 49 2.108 -7.471 2.704 349 HG12 VAL 49 2HG1 VAL 49 2.871 -8.272 4.079 350 HG13 VAL 49 3HG1 VAL 49 1.383 -7.352 4.307 351 HG21 VAL 49 1HG2 VAL 49 2.382 -5.575 2.119 352 HG22 VAL 49 2HG2 VAL 49 2.737 -4.222 3.195 353 HG23 VAL 49 3HG2 VAL 49 4.054 -5.101 2.419 354 H LEU 50 H LEU 50 0.611 -6.398 6.513 355 HA LEU 50 HA LEU 50 2.217 -8.159 8.245 356 HB2 LEU 50 1HB LEU 50 -0.069 -6.353 8.897 357 HB3 LEU 50 2HB LEU 50 0.168 -7.827 9.833 358 HG LEU 50 HG LEU 50 2.553 -6.947 10.230 359 HD11 LEU 50 1HD1 LEU 50 3.122 -5.017 9.306 360 HD12 LEU 50 2HD1 LEU 50 1.828 -4.211 10.191 361 HD13 LEU 50 3HD1 LEU 50 1.519 -4.870 8.585 362 HD21 LEU 50 1HD2 LEU 50 0.450 -6.968 11.779 363 HD22 LEU 50 2HD2 LEU 50 0.488 -5.222 11.526 364 HD23 LEU 50 3HD2 LEU 50 1.880 -6.043 12.237 365 H GLY 51 H GLY 51 1.619 -10.249 8.342 366 HA2 GLY 51 1HA GLY 51 -0.393 -11.183 6.514 367 HA3 GLY 51 2HA GLY 51 0.620 -12.179 7.549 368 HA PRO 52 HA PRO 52 -3.813 -12.098 9.106 369 HB2 PRO 52 1HB PRO 52 -4.249 -14.769 8.895 370 HB3 PRO 52 2HB PRO 52 -4.575 -13.636 7.579 371 HG2 PRO 52 1HG PRO 52 -2.209 -15.421 7.999 372 HG3 PRO 52 2HG PRO 52 -3.109 -15.090 6.508 373 HD2 PRO 52 1HD PRO 52 -0.744 -13.901 7.075 374 HD3 PRO 52 2HD PRO 52 -2.020 -13.091 6.144 375 H ARG 53 H ARG 53 -1.328 -14.602 9.623 376 HA ARG 53 HA ARG 53 -2.160 -15.098 12.321 377 HB2 ARG 53 1HB ARG 53 0.491 -15.884 11.127 378 HB3 ARG 53 2HB ARG 53 -0.399 -16.678 12.417 379 HG2 ARG 53 1HG ARG 53 -1.002 -18.101 10.797 380 HG3 ARG 53 2HG ARG 53 -2.185 -16.854 10.396 381 HD2 ARG 53 1HD ARG 53 -1.247 -17.127 8.341 382 HD3 ARG 53 2HD ARG 53 -0.148 -15.909 8.986 383 HE ARG 53 HE ARG 53 1.527 -17.487 9.053 384 HH11 ARG 53 1HH1 ARG 53 -1.530 -19.033 8.433 385 HH12 ARG 53 2HH1 ARG 53 -0.823 -20.565 8.040 386 HH21 ARG 53 1HH2 ARG 53 2.469 -19.499 8.539 387 HH22 ARG 53 2HH2 ARG 53 1.452 -20.830 8.103 388 H GLY 54 H GLY 54 0.320 -13.163 10.752 389 HA2 GLY 54 1HA GLY 54 0.728 -11.097 12.235 390 HA3 GLY 54 2HA GLY 54 1.295 -12.294 13.391 391 H LEU 55 H LEU 55 1.821 -12.555 9.938 392 HA LEU 55 HA LEU 55 4.681 -12.637 10.388 393 HB2 LEU 55 1HB LEU 55 3.920 -14.295 8.922 394 HB3 LEU 55 2HB LEU 55 2.904 -13.163 8.031 395 HG LEU 55 HG LEU 55 5.136 -12.085 7.303 396 HD11 LEU 55 1HD1 LEU 55 6.595 -13.242 8.840 397 HD12 LEU 55 2HD1 LEU 55 7.000 -13.691 7.183 398 HD13 LEU 55 3HD1 LEU 55 6.083 -14.804 8.199 399 HD21 LEU 55 1HD2 LEU 55 4.383 -12.983 5.417 400 HD22 LEU 55 2HD2 LEU 55 3.593 -14.292 6.294 401 HD23 LEU 55 3HD2 LEU 55 5.283 -14.447 5.813 402 H VAL 56 H VAL 56 6.203 -11.324 9.285 403 HA VAL 56 HA VAL 56 5.122 -8.725 8.404 404 HB VAL 56 HB VAL 56 7.727 -9.246 9.845 405 HG11 VAL 56 1HG1 VAL 56 6.740 -6.495 9.529 406 HG12 VAL 56 2HG1 VAL 56 8.380 -7.136 9.418 407 HG13 VAL 56 3HG1 VAL 56 7.283 -7.274 8.043 408 HG21 VAL 56 1HG2 VAL 56 5.049 -8.276 10.719 409 HG22 VAL 56 2HG2 VAL 56 6.183 -9.347 11.541 410 HG23 VAL 56 3HG2 VAL 56 6.489 -7.611 11.490 411 H GLU 57 H GLU 57 5.528 -8.233 6.359 412 HA GLU 57 HA GLU 57 7.873 -9.457 5.057 413 HB2 GLU 57 1HB GLU 57 5.208 -8.775 3.801 414 HB3 GLU 57 2HB GLU 57 6.598 -9.439 2.953 415 HG2 GLU 57 1HG GLU 57 5.394 -10.883 5.277 416 HG3 GLU 57 2HG GLU 57 4.690 -11.013 3.667 417 HA PRO 58 HA PRO 58 9.266 -5.364 4.225 418 HB2 PRO 58 1HB PRO 58 10.907 -5.893 2.128 419 HB3 PRO 58 2HB PRO 58 11.314 -6.313 3.796 420 HG2 PRO 58 1HG PRO 58 10.202 -8.047 1.624 421 HG3 PRO 58 2HG PRO 58 11.480 -8.407 2.800 422 HD2 PRO 58 1HD PRO 58 8.938 -9.291 3.096 423 HD3 PRO 58 2HD PRO 58 9.976 -8.886 4.480 424 H VAL 59 H VAL 59 9.429 -3.779 2.419 425 HA VAL 59 HA VAL 59 7.599 -4.329 0.193 426 HB VAL 59 HB VAL 59 6.554 -2.093 0.483 427 HG11 VAL 59 1HG1 VAL 59 5.719 -4.363 1.470 428 HG12 VAL 59 2HG1 VAL 59 6.075 -3.595 3.018 429 HG13 VAL 59 3HG1 VAL 59 4.917 -2.856 1.910 430 HG21 VAL 59 1HG2 VAL 59 7.062 -0.658 2.152 431 HG22 VAL 59 2HG2 VAL 59 7.375 -1.947 3.313 432 HG23 VAL 59 3HG2 VAL 59 8.604 -1.513 2.125 433 H ASN 60 H ASN 60 7.681 -2.526 -1.456 434 HA ASN 60 HA ASN 60 10.444 -1.523 -1.664 435 HB2 ASN 60 1HB ASN 60 10.024 -3.180 -3.366 436 HB3 ASN 60 2HB ASN 60 8.522 -2.387 -3.833 437 HD21 ASN 60 1HD2 ASN 60 8.582 -0.583 -5.118 438 HD22 ASN 60 2HD2 ASN 60 10.018 -0.039 -5.910 439 H VAL 61 H VAL 61 10.798 0.586 -2.220 440 HA VAL 61 HA VAL 61 8.447 2.280 -2.716 441 HB VAL 61 HB VAL 61 10.665 2.898 -0.761 442 HG11 VAL 61 1HG1 VAL 61 10.237 5.040 -1.179 443 HG12 VAL 61 2HG1 VAL 61 8.893 4.624 -2.245 444 HG13 VAL 61 3HG1 VAL 61 8.626 4.781 -0.508 445 HG21 VAL 61 1HG2 VAL 61 9.163 2.571 0.957 446 HG22 VAL 61 2HG2 VAL 61 7.758 2.806 -0.082 447 HG23 VAL 61 3HG2 VAL 61 8.681 1.306 -0.174 448 H VAL 62 H VAL 62 8.722 3.214 -4.626 449 HA VAL 62 HA VAL 62 11.316 4.416 -5.260 450 HB VAL 62 HB VAL 62 9.782 2.644 -7.168 451 HG11 VAL 62 1HG1 VAL 62 11.105 3.342 -8.879 452 HG12 VAL 62 2HG1 VAL 62 11.111 4.827 -7.925 453 HG13 VAL 62 3HG1 VAL 62 12.470 3.706 -7.824 454 HG21 VAL 62 1HG2 VAL 62 12.554 2.277 -6.043 455 HG22 VAL 62 2HG2 VAL 62 11.116 1.471 -5.415 456 HG23 VAL 62 3HG2 VAL 62 11.656 1.153 -7.064 457 H ASP 63 H ASP 63 10.969 6.490 -5.652 458 HA ASP 63 HA ASP 63 8.372 7.524 -6.247 459 HB2 ASP 63 1HB ASP 63 9.838 8.864 -4.898 460 HB3 ASP 63 2HB ASP 63 11.096 8.822 -6.130 461 H ASN 64 H ASN 64 7.552 8.292 -8.142 462 HA ASN 64 HA ASN 64 8.751 7.319 -10.566 463 HB2 ASN 64 1HB ASN 64 6.246 8.939 -10.067 464 HB3 ASN 64 2HB ASN 64 6.732 8.333 -11.647 465 HD21 ASN 64 1HD2 ASN 64 6.029 7.280 -8.348 466 HD22 ASN 64 2HD2 ASN 64 5.359 5.751 -8.792 467 H GLY 65 H GLY 65 8.032 10.515 -9.190 468 HA2 GLY 65 1HA GLY 65 9.776 12.229 -9.491 469 HA3 GLY 65 2HA GLY 65 9.933 11.656 -11.146 470 H ASP 66 H ASP 66 6.885 11.378 -11.154 471 HA ASP 66 HA ASP 66 6.397 14.099 -12.065 472 HB2 ASP 66 1HB ASP 66 4.956 11.482 -12.395 473 HB3 ASP 66 2HB ASP 66 4.153 13.003 -12.774 474 H GLY 67 H GLY 67 5.201 11.816 -9.653 475 HA2 GLY 67 1HA GLY 67 4.590 13.491 -7.642 476 HA3 GLY 67 2HA GLY 67 3.197 13.681 -8.697 477 H THR 68 H THR 68 4.989 10.691 -8.232 478 HA THR 68 HA THR 68 2.986 9.617 -6.434 479 HB THR 68 HB THR 68 2.368 7.737 -7.858 480 HG1 THR 68 1HG THR 68 4.338 8.826 -9.478 481 HG21 THR 68 1HG2 THR 68 1.927 10.244 -9.465 482 HG22 THR 68 2HG2 THR 68 1.115 9.955 -7.927 483 HG23 THR 68 3HG2 THR 68 0.854 8.857 -9.282 484 H HIS 69 H HIS 69 3.476 7.120 -6.183 485 HA HIS 69 HA HIS 69 6.333 6.567 -6.392 486 HB2 HIS 69 1HB HIS 69 4.876 6.337 -3.753 487 HB3 HIS 69 2HB HIS 69 6.584 6.031 -4.052 488 HD1 HIS 69 1HD HIS 69 8.105 7.928 -3.580 489 HD2 HIS 69 2HD HIS 69 4.198 9.190 -4.208 490 HE1 HIS 69 1HE HIS 69 8.116 10.401 -3.124 491 HE2 HIS 69 2HE HIS 69 5.723 11.127 -3.427 492 H THR 70 H THR 70 6.717 4.503 -6.900 493 HA THR 70 HA THR 70 4.460 2.680 -7.068 494 HB THR 70 HB THR 70 7.310 2.396 -8.036 495 HG1 THR 70 1HG THR 70 6.358 2.759 -10.064 496 HG21 THR 70 1HG2 THR 70 4.995 0.624 -8.779 497 HG22 THR 70 2HG2 THR 70 6.066 0.244 -7.431 498 HG23 THR 70 3HG2 THR 70 6.715 0.365 -9.066 499 H VAL 71 H VAL 71 4.253 0.770 -5.976 500 HA VAL 71 HA VAL 71 6.333 0.087 -4.014 501 HB VAL 71 HB VAL 71 3.370 0.092 -3.426 502 HG11 VAL 71 1HG1 VAL 71 5.308 -1.487 -2.315 503 HG12 VAL 71 2HG1 VAL 71 5.266 -0.111 -1.211 504 HG13 VAL 71 3HG1 VAL 71 3.795 -1.028 -1.535 505 HG21 VAL 71 1HG2 VAL 71 5.567 1.956 -2.538 506 HG22 VAL 71 2HG2 VAL 71 4.146 2.360 -3.502 507 HG23 VAL 71 3HG2 VAL 71 3.962 1.897 -1.811 508 H THR 72 H THR 72 7.070 -1.767 -4.889 509 HA THR 72 HA THR 72 5.170 -3.750 -5.887 510 HB THR 72 HB THR 72 7.205 -4.980 -6.644 511 HG1 THR 72 1HG THR 72 9.107 -3.339 -6.624 512 HG21 THR 72 1HG2 THR 72 7.541 -2.232 -7.720 513 HG22 THR 72 2HG2 THR 72 5.948 -2.973 -7.867 514 HG23 THR 72 3HG2 THR 72 7.357 -3.765 -8.571 515 H TYR 73 H TYR 73 4.960 -5.804 -5.047 516 HA TYR 73 HA TYR 73 6.602 -6.764 -2.908 517 HB2 TYR 73 1HB TYR 73 5.176 -6.571 -1.087 518 HB3 TYR 73 2HB TYR 73 4.919 -5.035 -1.906 519 HD1 TYR 73 2HD TYR 73 3.455 -8.300 -1.107 520 HD2 TYR 73 1HD TYR 73 2.818 -4.546 -3.006 521 HE1 TYR 73 2HE TYR 73 1.043 -8.771 -1.217 522 HE2 TYR 73 1HE TYR 73 0.405 -5.007 -3.119 523 HH TYR 73 HH TYR 73 -1.258 -6.349 -2.234 524 H THR 74 H THR 74 5.467 -8.792 -1.898 525 HA THR 74 HA THR 74 3.698 -10.163 -3.746 526 HB THR 74 HB THR 74 6.454 -11.261 -3.160 527 HG1 THR 74 1HG THR 74 5.280 -10.033 -5.417 528 HG21 THR 74 1HG2 THR 74 4.771 -13.022 -3.248 529 HG22 THR 74 2HG2 THR 74 5.798 -13.082 -4.680 530 HG23 THR 74 3HG2 THR 74 4.177 -12.398 -4.785 531 HA PRO 75 HA PRO 75 2.449 -11.519 0.327 532 HB2 PRO 75 1HB PRO 75 0.230 -12.837 -0.512 533 HB3 PRO 75 2HB PRO 75 0.297 -11.078 -0.346 534 HG2 PRO 75 1HG PRO 75 0.583 -12.761 -2.805 535 HG3 PRO 75 2HG PRO 75 -0.320 -11.251 -2.581 536 HD2 PRO 75 1HD PRO 75 2.121 -11.331 -3.754 537 HD3 PRO 75 2HD PRO 75 1.568 -9.945 -2.791 538 H SER 76 H SER 76 4.175 -12.975 0.683 539 HA SER 76 HA SER 76 4.917 -15.265 -0.456 540 HB2 SER 76 1HB SER 76 5.917 -14.518 1.627 541 HB3 SER 76 2HB SER 76 4.439 -14.894 2.510 542 HG SER 76 HG SER 76 5.784 -16.886 1.041 543 H GLN 77 H GLN 77 2.213 -15.136 1.865 544 HA GLN 77 HA GLN 77 1.102 -17.524 0.549 545 HB2 GLN 77 1HB GLN 77 0.234 -18.250 2.738 546 HB3 GLN 77 2HB GLN 77 1.990 -18.172 2.715 547 HG2 GLN 77 1HG GLN 77 1.529 -15.747 3.662 548 HG3 GLN 77 2HG GLN 77 0.032 -16.511 4.194 549 HE21 GLN 77 1HE2 GLN 77 0.238 -16.916 6.278 550 HE22 GLN 77 2HE2 GLN 77 1.590 -17.683 7.033 551 H GLU 78 H GLU 78 -1.300 -17.786 1.163 552 HA GLU 78 HA GLU 78 -2.609 -15.299 0.468 553 HB2 GLU 78 1HB GLU 78 -4.635 -16.695 0.255 554 HB3 GLU 78 2HB GLU 78 -3.291 -17.314 -0.693 555 HG2 GLU 78 1HG GLU 78 -3.030 -19.166 0.620 556 HG3 GLU 78 2HG GLU 78 -3.698 -18.381 2.050 557 H GLY 79 H GLY 79 -4.827 -14.926 1.580 558 HA2 GLY 79 1HA GLY 79 -5.969 -15.322 3.781 559 HA3 GLY 79 2HA GLY 79 -4.381 -15.086 4.497 560 HA PRO 80 HA PRO 80 -6.831 -11.043 4.139 561 HB2 PRO 80 1HB PRO 80 -7.309 -10.680 6.787 562 HB3 PRO 80 2HB PRO 80 -8.420 -11.550 5.721 563 HG2 PRO 80 1HG PRO 80 -6.373 -12.636 7.617 564 HG3 PRO 80 2HG PRO 80 -8.034 -13.187 7.326 565 HD2 PRO 80 1HD PRO 80 -5.878 -14.424 6.251 566 HD3 PRO 80 2HD PRO 80 -7.448 -14.350 5.425 567 H TYR 81 H TYR 81 -4.729 -10.269 3.542 568 HA TYR 81 HA TYR 81 -2.784 -9.729 5.609 569 HB2 TYR 81 1HB TYR 81 -2.895 -9.467 2.650 570 HB3 TYR 81 2HB TYR 81 -1.794 -8.397 3.508 571 HD1 TYR 81 1HD TYR 81 -2.749 -11.997 3.876 572 HD2 TYR 81 2HD TYR 81 0.377 -9.152 3.399 573 HE1 TYR 81 1HE TYR 81 -1.090 -13.809 3.992 574 HE2 TYR 81 2HE TYR 81 2.045 -10.956 3.514 575 HH TYR 81 HH TYR 81 1.395 -13.990 4.645 576 H MET 82 H MET 82 -1.820 -7.472 5.702 577 HA MET 82 HA MET 82 -3.835 -5.372 5.369 578 HB2 MET 82 1HB MET 82 -4.009 -6.232 7.691 579 HB3 MET 82 2HB MET 82 -2.316 -5.828 7.943 580 HG2 MET 82 1HG MET 82 -2.716 -3.583 8.031 581 HG3 MET 82 2HG MET 82 -4.153 -3.688 7.015 582 HE1 MET 82 1HE MET 82 -2.586 -4.332 10.464 583 HE2 MET 82 2HE MET 82 -3.160 -2.665 10.431 584 HE3 MET 82 3HE MET 82 -3.893 -3.830 11.535 585 H VAL 83 H VAL 83 -2.937 -3.789 4.241 586 HA VAL 83 HA VAL 83 -0.033 -3.366 4.452 587 HB VAL 83 HB VAL 83 -1.926 -2.531 2.249 588 HG11 VAL 83 1HG1 VAL 83 -0.295 -1.308 1.326 589 HG12 VAL 83 2HG1 VAL 83 0.427 -1.319 2.935 590 HG13 VAL 83 3HG1 VAL 83 0.949 -2.491 1.726 591 HG21 VAL 83 1HG2 VAL 83 0.078 -4.252 1.295 592 HG22 VAL 83 2HG2 VAL 83 -0.543 -4.991 2.771 593 HG23 VAL 83 3HG2 VAL 83 -1.646 -4.589 1.455 594 H SER 84 H SER 84 0.164 -1.947 6.126 595 HA SER 84 HA SER 84 -1.565 0.351 6.362 596 HB2 SER 84 1HB SER 84 0.988 -0.048 7.906 597 HB3 SER 84 2HB SER 84 -0.484 0.786 8.405 598 HG SER 84 HG SER 84 -1.357 -1.544 8.010 599 H VAL 85 H VAL 85 -0.971 2.513 6.120 600 HA VAL 85 HA VAL 85 1.623 3.079 4.884 601 HB VAL 85 HB VAL 85 -1.009 3.964 3.692 602 HG11 VAL 85 1HG1 VAL 85 1.366 4.381 2.089 603 HG12 VAL 85 2HG1 VAL 85 0.088 5.516 2.531 604 HG13 VAL 85 3HG1 VAL 85 1.447 5.250 3.622 605 HG21 VAL 85 1HG2 VAL 85 0.444 2.626 1.762 606 HG22 VAL 85 2HG2 VAL 85 0.696 1.660 3.216 607 HG23 VAL 85 3HG2 VAL 85 -0.941 1.991 2.650 608 H LYS 86 H LYS 86 2.469 5.030 5.416 609 HA LYS 86 HA LYS 86 0.763 6.869 6.962 610 HB2 LYS 86 1HB LYS 86 2.628 5.414 8.165 611 HB3 LYS 86 2HB LYS 86 3.681 6.684 7.556 612 HG2 LYS 86 1HG LYS 86 2.627 8.332 8.830 613 HG3 LYS 86 2HG LYS 86 1.206 7.325 9.121 614 HD2 LYS 86 1HD LYS 86 2.762 5.760 10.384 615 HD3 LYS 86 2HD LYS 86 3.959 7.056 10.309 616 HE2 LYS 86 1HE LYS 86 2.223 8.554 11.362 617 HE3 LYS 86 2HE LYS 86 1.259 7.104 11.640 618 HZ1 LYS 86 1HZ LYS 86 3.973 7.648 12.712 619 HZ2 LYS 86 2HZ LYS 86 3.135 6.193 12.914 620 HZ3 LYS 86 3HZ LYS 86 2.530 7.618 13.594 621 H TYR 87 H TYR 87 1.955 9.075 7.195 622 HA TYR 87 HA TYR 87 3.642 9.830 4.996 623 HB2 TYR 87 1HB TYR 87 1.164 9.719 4.162 624 HB3 TYR 87 2HB TYR 87 0.993 11.234 5.040 625 HD1 TYR 87 1HD TYR 87 3.043 9.587 2.404 626 HD2 TYR 87 2HD TYR 87 1.609 13.247 4.033 627 HE1 TYR 87 1HE TYR 87 3.970 10.802 0.476 628 HE2 TYR 87 2HE TYR 87 2.530 14.471 2.109 629 HH TYR 87 HH TYR 87 3.640 14.331 0.198 630 H ALA 88 H ALA 88 5.050 11.043 6.073 631 HA ALA 88 HA ALA 88 5.944 12.679 7.379 632 HB1 ALA 88 1HB ALA 88 3.451 14.223 7.625 633 HB2 ALA 88 2HB ALA 88 5.056 14.729 7.098 634 HB3 ALA 88 3HB ALA 88 3.984 13.890 5.977 635 H ASP 89 H ASP 89 4.870 10.411 8.682 636 HA ASP 89 HA ASP 89 4.512 9.668 10.805 637 HB2 ASP 89 1HB ASP 89 4.709 12.563 11.653 638 HB3 ASP 89 2HB ASP 89 4.909 11.144 12.677 639 H GLU 90 H GLU 90 2.332 10.368 9.067 640 HA GLU 90 HA GLU 90 0.244 10.614 11.093 641 HB2 GLU 90 1HB GLU 90 0.453 12.365 8.644 642 HB3 GLU 90 2HB GLU 90 -1.032 12.169 9.564 643 HG2 GLU 90 1HG GLU 90 0.444 12.887 11.581 644 HG3 GLU 90 2HG GLU 90 1.504 13.535 10.332 645 H GLU 91 H GLU 91 -0.657 8.658 10.868 646 HA GLU 91 HA GLU 91 -0.738 7.083 8.588 647 HB2 GLU 91 1HB GLU 91 -2.213 7.148 11.155 648 HB3 GLU 91 2HB GLU 91 -2.968 6.241 9.851 649 HG2 GLU 91 1HG GLU 91 -1.175 4.746 9.700 650 HG3 GLU 91 2HG GLU 91 -0.107 5.800 10.625 651 H ILE 92 H ILE 92 -1.524 7.705 6.681 652 HA ILE 92 HA ILE 92 -3.337 9.665 6.103 653 HB ILE 92 HB ILE 92 -3.769 8.537 3.967 654 HG12 ILE 92 1HG1 ILE 92 -2.132 6.243 5.060 655 HG13 ILE 92 2HG1 ILE 92 -3.890 6.227 4.968 656 HG21 ILE 92 1HG2 ILE 92 -1.301 8.193 3.337 657 HG22 ILE 92 2HG2 ILE 92 -1.796 9.772 3.942 658 HG23 ILE 92 3HG2 ILE 92 -0.961 8.641 5.007 659 HD11 ILE 92 1HD1 ILE 92 -3.324 5.117 3.052 660 HD12 ILE 92 2HD1 ILE 92 -3.467 6.769 2.452 661 HD13 ILE 92 3HD1 ILE 92 -1.876 6.088 2.786 662 HA PRO 93 HA PRO 93 -7.341 8.337 7.327 663 HB2 PRO 93 1HB PRO 93 -8.873 9.505 5.415 664 HB3 PRO 93 2HB PRO 93 -8.084 10.420 6.704 665 HG2 PRO 93 1HG PRO 93 -7.224 10.023 3.865 666 HG3 PRO 93 2HG PRO 93 -7.204 11.502 4.843 667 HD2 PRO 93 1HD PRO 93 -4.987 10.007 4.416 668 HD3 PRO 93 2HD PRO 93 -5.253 10.913 5.919 669 H ARG 94 H ARG 94 -5.785 7.051 4.747 670 HA ARG 94 HA ARG 94 -8.086 5.384 3.967 671 HB2 ARG 94 1HB ARG 94 -5.582 6.059 2.413 672 HB3 ARG 94 2HB ARG 94 -6.800 4.906 1.885 673 HG2 ARG 94 1HG ARG 94 -7.467 7.768 2.492 674 HG3 ARG 94 2HG ARG 94 -6.910 7.240 0.903 675 HD2 ARG 94 1HD ARG 94 -8.780 5.670 0.770 676 HD3 ARG 94 2HD ARG 94 -9.331 6.187 2.363 677 HE ARG 94 HE ARG 94 -9.700 7.565 -0.133 678 HH11 ARG 94 1HH1 ARG 94 -9.529 7.900 3.328 679 HH12 ARG 94 2HH1 ARG 94 -10.468 9.356 3.364 680 HH21 ARG 94 1HH2 ARG 94 -10.938 9.481 -0.098 681 HH22 ARG 94 2HH2 ARG 94 -11.270 10.253 1.415 682 H SER 95 H SER 95 -5.366 5.390 5.823 683 HA SER 95 HA SER 95 -4.884 2.513 5.420 684 HB2 SER 95 1HB SER 95 -2.765 3.321 5.167 685 HB3 SER 95 2HB SER 95 -3.098 4.782 6.095 686 HG SER 95 HG SER 95 -2.717 3.710 7.951 687 HA PRO 96 HA PRO 96 -3.415 1.125 6.698 688 HB2 PRO 96 1HB PRO 96 -4.302 -1.301 7.538 689 HB3 PRO 96 2HB PRO 96 -3.184 -0.307 8.481 690 HG2 PRO 96 1HG PRO 96 -6.146 -0.627 8.777 691 HG3 PRO 96 2HG PRO 96 -4.895 -0.577 10.033 692 HD2 PRO 96 1HD PRO 96 -6.440 1.564 9.429 693 HD3 PRO 96 2HD PRO 96 -4.762 1.724 9.984 694 H PHE 97 H PHE 97 -3.871 -0.975 5.333 695 HA PHE 97 HA PHE 97 -6.444 -0.606 3.944 696 HB2 PHE 97 1HB PHE 97 -3.706 -1.153 2.793 697 HB3 PHE 97 2HB PHE 97 -5.192 -1.352 1.870 698 HD1 PHE 97 1HD PHE 97 -6.679 0.659 1.535 699 HD2 PHE 97 2HD PHE 97 -2.705 0.945 3.033 700 HE1 PHE 97 1HE PHE 97 -6.632 3.046 0.943 701 HE2 PHE 97 2HE PHE 97 -2.652 3.333 2.445 702 HZ PHE 97 HZ PHE 97 -4.617 4.387 1.400 703 H LYS 98 H LYS 98 -7.655 -2.373 3.611 704 HA LYS 98 HA LYS 98 -6.654 -4.914 4.638 705 HB2 LYS 98 1HB LYS 98 -9.004 -5.635 4.548 706 HB3 LYS 98 2HB LYS 98 -8.816 -4.144 5.463 707 HG2 LYS 98 1HG LYS 98 -9.368 -3.047 3.131 708 HG3 LYS 98 2HG LYS 98 -10.129 -4.612 2.841 709 HD2 LYS 98 1HD LYS 98 -10.687 -3.149 5.386 710 HD3 LYS 98 2HD LYS 98 -11.502 -2.655 3.900 711 HE2 LYS 98 1HE LYS 98 -12.631 -4.668 3.700 712 HE3 LYS 98 2HE LYS 98 -11.469 -5.536 4.703 713 HZ1 LYS 98 1HZ LYS 98 -12.416 -4.767 6.628 714 HZ2 LYS 98 2HZ LYS 98 -13.786 -4.911 5.648 715 HZ3 LYS 98 3HZ LYS 98 -13.084 -3.393 5.901 716 H VAL 99 H VAL 99 -5.592 -6.116 3.197 717 HA VAL 99 HA VAL 99 -6.737 -6.377 0.492 718 HB VAL 99 HB VAL 99 -3.840 -6.597 1.323 719 HG11 VAL 99 1HG1 VAL 99 -3.345 -7.582 -0.621 720 HG12 VAL 99 2HG1 VAL 99 -5.063 -7.979 -0.709 721 HG13 VAL 99 3HG1 VAL 99 -4.444 -6.545 -1.529 722 HG21 VAL 99 1HG2 VAL 99 -3.520 -4.502 0.573 723 HG22 VAL 99 2HG2 VAL 99 -4.653 -4.697 -0.765 724 HG23 VAL 99 3HG2 VAL 99 -5.252 -4.327 0.852 725 H LYS 100 H LYS 100 -7.888 -8.217 0.561 726 HA LYS 100 HA LYS 100 -6.991 -10.518 2.056 727 HB2 LYS 100 1HB LYS 100 -9.350 -10.123 2.013 728 HB3 LYS 100 2HB LYS 100 -9.363 -10.030 0.256 729 HG2 LYS 100 1HG LYS 100 -8.432 -12.499 0.491 730 HG3 LYS 100 2HG LYS 100 -9.282 -12.398 2.035 731 HD2 LYS 100 1HD LYS 100 -10.705 -11.476 -0.408 732 HD3 LYS 100 2HD LYS 100 -10.491 -13.213 -0.181 733 HE2 LYS 100 1HE LYS 100 -12.475 -12.925 0.910 734 HE3 LYS 100 2HE LYS 100 -11.359 -12.645 2.247 735 HZ1 LYS 100 1HZ LYS 100 -12.169 -10.347 0.624 736 HZ2 LYS 100 2HZ LYS 100 -11.798 -10.426 2.272 737 HZ3 LYS 100 3HZ LYS 100 -13.297 -10.981 1.716 738 H VAL 101 H VAL 101 -5.319 -11.627 1.254 739 HA VAL 101 HA VAL 101 -4.803 -11.835 -1.561 740 HB VAL 101 HB VAL 101 -3.515 -13.374 0.696 741 HG11 VAL 101 1HG1 VAL 101 -2.700 -12.867 -2.160 742 HG12 VAL 101 2HG1 VAL 101 -1.614 -13.513 -0.927 743 HG13 VAL 101 3HG1 VAL 101 -3.053 -14.418 -1.399 744 HG21 VAL 101 1HG2 VAL 101 -2.550 -11.479 1.332 745 HG22 VAL 101 2HG2 VAL 101 -1.826 -11.328 -0.270 746 HG23 VAL 101 3HG2 VAL 101 -3.394 -10.593 0.061 747 H LEU 102 H LEU 102 -5.175 -13.515 -2.920 748 HA LEU 102 HA LEU 102 -6.797 -15.728 -1.855 749 HB2 LEU 102 1HB LEU 102 -6.693 -14.410 -4.549 750 HB3 LEU 102 2HB LEU 102 -7.430 -15.994 -4.320 751 HG LEU 102 HG LEU 102 -8.316 -13.504 -2.867 752 HD11 LEU 102 1HD1 LEU 102 -9.167 -12.854 -4.823 753 HD12 LEU 102 2HD1 LEU 102 -10.308 -14.186 -4.630 754 HD13 LEU 102 3HD1 LEU 102 -8.842 -14.412 -5.584 755 HD21 LEU 102 1HD2 LEU 102 -8.767 -16.102 -2.224 756 HD22 LEU 102 2HD2 LEU 102 -10.138 -15.770 -3.285 757 HD23 LEU 102 3HD2 LEU 102 -9.868 -14.774 -1.854 758 HA PRO 103 HA PRO 103 -3.740 -18.697 -2.910 759 HB2 PRO 103 1HB PRO 103 -5.277 -20.805 -3.660 760 HB3 PRO 103 2HB PRO 103 -5.121 -20.279 -1.979 761 HG2 PRO 103 1HG PRO 103 -7.307 -19.716 -3.946 762 HG3 PRO 103 2HG PRO 103 -7.430 -20.154 -2.233 763 HD2 PRO 103 1HD PRO 103 -7.685 -17.604 -3.106 764 HD3 PRO 103 2HD PRO 103 -6.991 -18.006 -1.522 765 H THR 104 H THR 104 -2.466 -18.653 -4.642 766 HA THR 104 HA THR 104 -2.876 -17.771 -7.123 767 HB THR 104 HB THR 104 -1.245 -20.228 -6.456 768 HG1 THR 104 1HG THR 104 0.406 -18.370 -6.724 769 HG21 THR 104 1HG2 THR 104 -1.852 -19.754 -8.932 770 HG22 THR 104 2HG2 THR 104 -0.164 -20.047 -8.512 771 HG23 THR 104 3HG2 THR 104 -0.734 -18.399 -8.776 772 H TYR 105 H TYR 105 -3.875 -20.933 -5.959 773 HA TYR 105 HA TYR 105 -4.906 -21.656 -8.591 774 HB2 TYR 105 1HB TYR 105 -4.394 -23.126 -6.045 775 HB3 TYR 105 2HB TYR 105 -5.616 -23.759 -7.142 776 HD1 TYR 105 1HD TYR 105 -2.140 -22.387 -7.380 777 HD2 TYR 105 2HD TYR 105 -4.899 -25.389 -8.597 778 HE1 TYR 105 1HE TYR 105 -0.375 -23.460 -8.716 779 HE2 TYR 105 2HE TYR 105 -3.141 -26.471 -9.935 780 HH TYR 105 HH TYR 105 -0.320 -26.390 -9.677 781 H ASP 106 H ASP 106 -7.078 -22.085 -9.004 782 HA ASP 106 HA ASP 106 -8.945 -20.858 -7.087 783 HB2 ASP 106 1HB ASP 106 -8.852 -20.941 -10.074 784 HB3 ASP 106 2HB ASP 106 -10.420 -20.834 -9.279 785 H ALA 107 H ALA 107 -8.113 -23.537 -6.763 786 HA ALA 107 HA ALA 107 -10.004 -25.348 -7.889 787 HB1 ALA 107 1HB ALA 107 -8.333 -26.673 -7.238 788 HB2 ALA 107 2HB ALA 107 -7.734 -25.489 -6.076 789 HB3 ALA 107 3HB ALA 107 -9.041 -26.584 -5.625 790 H SER 108 H SER 108 -12.080 -24.642 -7.471 791 HA SER 108 HA SER 108 -13.014 -23.791 -4.947 792 HB2 SER 108 1HB SER 108 -14.158 -23.304 -7.104 793 HB3 SER 108 2HB SER 108 -14.626 -25.000 -7.207 794 HG SER 108 HG SER 108 -15.932 -23.093 -6.007 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.785 29.151 -15.546 2 HA2 GLY 1 1HA GLY 1 -5.301 30.382 -14.302 3 HA3 GLY 1 2HA GLY 1 -6.385 30.117 -12.944 4 H SER 2 H SER 2 -3.934 30.259 -12.157 5 HA SER 2 HA SER 2 -2.538 27.737 -12.303 6 HB2 SER 2 1HB SER 2 -1.953 30.133 -10.548 7 HB3 SER 2 2HB SER 2 -0.857 28.799 -10.906 8 HG SER 2 HG SER 2 -0.909 29.458 -13.100 9 H SER 3 H SER 3 -1.820 26.639 -10.278 10 HA SER 3 HA SER 3 -4.113 25.973 -8.699 11 HB2 SER 3 1HB SER 3 -2.507 24.430 -7.529 12 HB3 SER 3 2HB SER 3 -2.586 24.205 -9.276 13 HG SER 3 HG SER 3 -0.661 25.344 -9.476 14 H GLY 4 H GLY 4 -0.920 27.362 -7.922 15 HA2 GLY 4 1HA GLY 4 -1.396 29.438 -6.394 16 HA3 GLY 4 2HA GLY 4 -1.950 28.178 -5.302 17 H SER 5 H SER 5 -0.454 28.212 -3.724 18 HA SER 5 HA SER 5 2.361 27.878 -4.532 19 HB2 SER 5 1HB SER 5 1.240 29.222 -2.062 20 HB3 SER 5 2HB SER 5 2.954 28.922 -2.346 21 HG SER 5 HG SER 5 2.762 30.880 -3.174 22 H SER 6 H SER 6 3.688 26.776 -2.777 23 HA SER 6 HA SER 6 2.122 24.588 -1.572 24 HB2 SER 6 1HB SER 6 3.602 24.047 -3.634 25 HB3 SER 6 2HB SER 6 4.955 24.220 -2.515 26 HG SER 6 HG SER 6 4.317 22.077 -2.547 27 H GLY 7 H GLY 7 3.491 23.405 0.149 28 HA2 GLY 7 1HA GLY 7 5.589 24.222 1.564 29 HA3 GLY 7 2HA GLY 7 4.415 25.453 2.007 30 H VAL 8 H VAL 8 2.209 24.460 2.673 31 HA VAL 8 HA VAL 8 2.632 22.953 5.010 32 HB VAL 8 HB VAL 8 0.191 22.811 5.178 33 HG11 VAL 8 1HG1 VAL 8 0.580 25.567 4.170 34 HG12 VAL 8 2HG1 VAL 8 -0.072 25.002 5.709 35 HG13 VAL 8 3HG1 VAL 8 1.672 25.013 5.439 36 HG21 VAL 8 1HG2 VAL 8 -0.988 22.616 3.299 37 HG22 VAL 8 2HG2 VAL 8 -0.744 24.345 3.054 38 HG23 VAL 8 3HG2 VAL 8 0.362 23.186 2.316 39 H VAL 9 H VAL 9 1.568 20.870 5.527 40 HA VAL 9 HA VAL 9 1.675 19.017 3.234 41 HB VAL 9 HB VAL 9 2.583 18.548 6.075 42 HG11 VAL 9 1HG1 VAL 9 1.810 16.461 5.698 43 HG12 VAL 9 2HG1 VAL 9 1.789 16.667 3.946 44 HG13 VAL 9 3HG1 VAL 9 3.304 16.304 4.775 45 HG21 VAL 9 1HG2 VAL 9 4.033 19.736 4.259 46 HG22 VAL 9 2HG2 VAL 9 4.745 18.479 5.270 47 HG23 VAL 9 3HG2 VAL 9 4.233 18.104 3.625 48 H ASP 10 H ASP 10 0.019 17.622 2.973 49 HA ASP 10 HA ASP 10 -1.965 17.389 5.128 50 HB2 ASP 10 1HB ASP 10 -2.513 19.025 3.128 51 HB3 ASP 10 2HB ASP 10 -2.907 17.524 2.295 52 HA PRO 11 HA PRO 11 -0.878 13.163 3.855 53 HB2 PRO 11 1HB PRO 11 -1.590 12.047 6.226 54 HB3 PRO 11 2HB PRO 11 -0.025 12.823 5.961 55 HG2 PRO 11 1HG PRO 11 -2.482 13.916 7.275 56 HG3 PRO 11 2HG PRO 11 -0.787 14.059 7.777 57 HD2 PRO 11 1HD PRO 11 -2.099 16.050 6.496 58 HD3 PRO 11 2HD PRO 11 -0.359 15.766 6.290 59 H SER 12 H SER 12 -3.750 14.755 4.417 60 HA SER 12 HA SER 12 -5.410 12.354 4.189 61 HB2 SER 12 1HB SER 12 -7.266 13.712 4.815 62 HB3 SER 12 2HB SER 12 -5.934 14.194 5.865 63 HG SER 12 HG SER 12 -6.155 16.124 5.098 64 H LYS 13 H LYS 13 -3.758 14.142 2.115 65 HA LYS 13 HA LYS 13 -5.889 14.224 0.083 66 HB2 LYS 13 1HB LYS 13 -3.228 15.656 0.025 67 HB3 LYS 13 2HB LYS 13 -4.560 15.860 -1.106 68 HG2 LYS 13 1HG LYS 13 -4.960 16.413 1.803 69 HG3 LYS 13 2HG LYS 13 -4.188 17.610 0.760 70 HD2 LYS 13 1HD LYS 13 -6.349 18.274 0.502 71 HD3 LYS 13 2HD LYS 13 -6.296 17.048 -0.768 72 HE2 LYS 13 1HE LYS 13 -7.024 15.445 1.168 73 HE3 LYS 13 2HE LYS 13 -7.566 16.938 1.932 74 HZ1 LYS 13 1HZ LYS 13 -8.940 17.395 0.008 75 HZ2 LYS 13 2HZ LYS 13 -9.332 15.883 0.655 76 HZ3 LYS 13 3HZ LYS 13 -8.400 15.984 -0.754 77 H VAL 14 H VAL 14 -3.265 12.445 1.102 78 HA VAL 14 HA VAL 14 -2.335 11.648 -1.527 79 HB VAL 14 HB VAL 14 -0.605 11.697 0.063 80 HG11 VAL 14 1HG1 VAL 14 -1.765 11.797 2.117 81 HG12 VAL 14 2HG1 VAL 14 -2.497 10.210 1.869 82 HG13 VAL 14 3HG1 VAL 14 -0.769 10.345 2.200 83 HG21 VAL 14 1HG2 VAL 14 -1.336 8.783 0.052 84 HG22 VAL 14 2HG2 VAL 14 -0.788 9.622 -1.399 85 HG23 VAL 14 3HG2 VAL 14 0.269 9.512 0.009 86 H LYS 15 H LYS 15 -2.995 9.919 -2.643 87 HA LYS 15 HA LYS 15 -4.674 7.927 -1.271 88 HB2 LYS 15 1HB LYS 15 -5.111 9.105 -4.022 89 HB3 LYS 15 2HB LYS 15 -6.018 7.754 -3.355 90 HG2 LYS 15 1HG LYS 15 -7.180 9.077 -1.887 91 HG3 LYS 15 2HG LYS 15 -5.923 10.316 -1.840 92 HD2 LYS 15 1HD LYS 15 -6.662 11.331 -3.752 93 HD3 LYS 15 2HD LYS 15 -7.313 9.835 -4.423 94 HE2 LYS 15 1HE LYS 15 -9.232 9.942 -3.039 95 HE3 LYS 15 2HE LYS 15 -8.528 11.215 -2.042 96 HZ1 LYS 15 1HZ LYS 15 -9.417 12.719 -3.376 97 HZ2 LYS 15 2HZ LYS 15 -10.129 11.499 -4.306 98 HZ3 LYS 15 3HZ LYS 15 -8.594 12.084 -4.710 99 H ILE 16 H ILE 16 -4.949 5.929 -2.777 100 HA ILE 16 HA ILE 16 -2.565 5.369 -4.353 101 HB ILE 16 HB ILE 16 -2.012 3.333 -3.165 102 HG12 ILE 16 1HG1 ILE 16 -4.184 4.126 -1.212 103 HG13 ILE 16 2HG1 ILE 16 -4.279 2.793 -2.357 104 HG21 ILE 16 1HG2 ILE 16 -1.324 4.366 -0.943 105 HG22 ILE 16 2HG2 ILE 16 -0.771 5.178 -2.407 106 HG23 ILE 16 3HG2 ILE 16 -2.136 5.829 -1.499 107 HD11 ILE 16 1HD1 ILE 16 -2.115 1.987 -1.147 108 HD12 ILE 16 2HD1 ILE 16 -2.699 3.030 0.151 109 HD13 ILE 16 3HD1 ILE 16 -3.702 1.702 -0.433 110 H ALA 17 H ALA 17 -2.945 3.998 -6.006 111 HA ALA 17 HA ALA 17 -5.361 2.343 -5.962 112 HB1 ALA 17 1HB ALA 17 -6.039 3.088 -8.174 113 HB2 ALA 17 2HB ALA 17 -5.992 4.447 -7.051 114 HB3 ALA 17 3HB ALA 17 -4.692 4.225 -8.221 115 H GLY 18 H GLY 18 -5.336 0.588 -7.456 116 HA2 GLY 18 1HA GLY 18 -3.740 -0.175 -9.419 117 HA3 GLY 18 2HA GLY 18 -2.617 -0.287 -8.072 118 HA PRO 19 HA PRO 19 -5.116 -4.257 -8.613 119 HB2 PRO 19 1HB PRO 19 -3.038 -5.861 -9.306 120 HB3 PRO 19 2HB PRO 19 -4.005 -4.975 -10.491 121 HG2 PRO 19 1HG PRO 19 -1.332 -4.286 -9.334 122 HG3 PRO 19 2HG PRO 19 -1.887 -4.170 -11.014 123 HD2 PRO 19 1HD PRO 19 -1.764 -2.023 -9.369 124 HD3 PRO 19 2HD PRO 19 -2.989 -2.179 -10.645 125 H GLY 20 H GLY 20 -1.900 -3.628 -7.261 126 HA2 GLY 20 1HA GLY 20 -1.641 -5.754 -5.521 127 HA3 GLY 20 2HA GLY 20 -1.011 -4.144 -5.204 128 H LEU 21 H LEU 21 -3.649 -2.897 -5.176 129 HA LEU 21 HA LEU 21 -4.390 -3.670 -2.459 130 HB2 LEU 21 1HB LEU 21 -5.339 -1.304 -4.063 131 HB3 LEU 21 2HB LEU 21 -5.524 -1.558 -2.329 132 HG LEU 21 HG LEU 21 -2.810 -1.316 -3.587 133 HD11 LEU 21 1HD1 LEU 21 -3.013 1.114 -2.733 134 HD12 LEU 21 2HD1 LEU 21 -4.750 0.852 -2.893 135 HD13 LEU 21 3HD1 LEU 21 -3.701 0.697 -4.302 136 HD21 LEU 21 1HD2 LEU 21 -3.736 -0.547 -0.832 137 HD22 LEU 21 2HD2 LEU 21 -2.087 -0.803 -1.403 138 HD23 LEU 21 3HD2 LEU 21 -3.184 -2.173 -1.228 139 H GLY 22 H GLY 22 -5.535 -3.885 -5.694 140 HA2 GLY 22 1HA GLY 22 -8.295 -3.966 -5.365 141 HA3 GLY 22 2HA GLY 22 -7.408 -4.864 -6.589 142 H SER 23 H SER 23 -9.681 -5.944 -5.585 143 HA SER 23 HA SER 23 -8.999 -7.772 -3.435 144 HB2 SER 23 1HB SER 23 -11.315 -6.614 -3.930 145 HB3 SER 23 2HB SER 23 -11.536 -7.989 -5.012 146 HG SER 23 HG SER 23 -11.038 -9.330 -3.158 147 H GLY 24 H GLY 24 -7.932 -7.769 -6.366 148 HA2 GLY 24 1HA GLY 24 -8.471 -10.630 -6.878 149 HA3 GLY 24 2HA GLY 24 -8.121 -9.459 -8.142 150 H VAL 25 H VAL 25 -6.519 -10.003 -5.019 151 HA VAL 25 HA VAL 25 -3.967 -10.197 -6.440 152 HB VAL 25 HB VAL 25 -4.605 -9.767 -3.521 153 HG11 VAL 25 1HG1 VAL 25 -2.111 -9.410 -3.318 154 HG12 VAL 25 2HG1 VAL 25 -2.637 -11.081 -3.526 155 HG13 VAL 25 3HG1 VAL 25 -1.960 -10.192 -4.891 156 HG21 VAL 25 1HG2 VAL 25 -2.955 -7.747 -4.537 157 HG22 VAL 25 2HG2 VAL 25 -4.184 -8.023 -5.771 158 HG23 VAL 25 3HG2 VAL 25 -4.665 -7.626 -4.121 159 H ARG 26 H ARG 26 -2.545 -11.910 -6.174 160 HA ARG 26 HA ARG 26 -3.682 -14.317 -4.907 161 HB2 ARG 26 1HB ARG 26 -1.969 -14.157 -7.394 162 HB3 ARG 26 2HB ARG 26 -2.510 -15.644 -6.629 163 HG2 ARG 26 1HG ARG 26 -4.877 -14.773 -6.997 164 HG3 ARG 26 2HG ARG 26 -4.140 -13.589 -8.078 165 HD2 ARG 26 1HD ARG 26 -3.449 -15.209 -9.587 166 HD3 ARG 26 2HD ARG 26 -3.525 -16.499 -8.389 167 HE ARG 26 HE ARG 26 -5.757 -16.772 -8.859 168 HH11 ARG 26 1HH1 ARG 26 -4.611 -13.815 -10.295 169 HH12 ARG 26 2HH1 ARG 26 -6.053 -13.552 -11.220 170 HH21 ARG 26 1HH2 ARG 26 -7.660 -16.437 -10.070 171 HH22 ARG 26 2HH2 ARG 26 -7.787 -15.045 -11.090 172 H ALA 27 H ALA 27 -2.210 -15.773 -3.929 173 HA ALA 27 HA ALA 27 -0.061 -14.509 -2.566 174 HB1 ALA 27 1HB ALA 27 -1.497 -16.383 -1.683 175 HB2 ALA 27 2HB ALA 27 -0.563 -17.473 -2.709 176 HB3 ALA 27 3HB ALA 27 0.238 -16.565 -1.427 177 H ARG 28 H ARG 28 2.170 -14.978 -2.661 178 HA ARG 28 HA ARG 28 4.155 -15.216 -3.749 179 HB2 ARG 28 1HB ARG 28 2.767 -17.588 -5.011 180 HB3 ARG 28 2HB ARG 28 4.504 -17.320 -4.947 181 HG2 ARG 28 1HG ARG 28 4.021 -17.213 -2.347 182 HG3 ARG 28 2HG ARG 28 2.636 -18.199 -2.821 183 HD2 ARG 28 1HD ARG 28 4.518 -19.609 -2.214 184 HD3 ARG 28 2HD ARG 28 4.146 -19.777 -3.930 185 HE ARG 28 HE ARG 28 6.066 -17.887 -3.923 186 HH11 ARG 28 1HH1 ARG 28 5.844 -21.034 -2.451 187 HH12 ARG 28 2HH1 ARG 28 7.550 -21.333 -2.524 188 HH21 ARG 28 1HH2 ARG 28 8.312 -18.268 -4.026 189 HH22 ARG 28 2HH2 ARG 28 8.953 -19.758 -3.420 190 H VAL 29 H VAL 29 2.427 -13.369 -4.910 191 HA VAL 29 HA VAL 29 3.235 -13.573 -7.729 192 HB VAL 29 HB VAL 29 0.526 -12.716 -6.712 193 HG11 VAL 29 1HG1 VAL 29 0.203 -12.475 -9.321 194 HG12 VAL 29 2HG1 VAL 29 0.805 -11.136 -8.341 195 HG13 VAL 29 3HG1 VAL 29 1.931 -12.129 -9.266 196 HG21 VAL 29 1HG2 VAL 29 0.450 -15.017 -6.976 197 HG22 VAL 29 2HG2 VAL 29 -0.116 -14.438 -8.542 198 HG23 VAL 29 3HG2 VAL 29 1.546 -14.998 -8.357 199 H LEU 30 H LEU 30 3.844 -11.661 -8.705 200 HA LEU 30 HA LEU 30 4.811 -9.612 -7.001 201 HB2 LEU 30 1HB LEU 30 5.912 -10.219 -9.093 202 HB3 LEU 30 2HB LEU 30 4.509 -9.661 -10.001 203 HG LEU 30 HG LEU 30 4.988 -7.363 -8.981 204 HD11 LEU 30 1HD1 LEU 30 7.795 -7.749 -8.776 205 HD12 LEU 30 2HD1 LEU 30 6.996 -8.876 -7.679 206 HD13 LEU 30 3HD1 LEU 30 6.670 -7.147 -7.558 207 HD21 LEU 30 1HD2 LEU 30 5.730 -8.536 -11.321 208 HD22 LEU 30 2HD2 LEU 30 7.284 -7.984 -10.695 209 HD23 LEU 30 3HD2 LEU 30 5.967 -6.833 -10.928 210 H GLN 31 H GLN 31 3.574 -8.149 -6.037 211 HA GLN 31 HA GLN 31 1.290 -7.041 -7.531 212 HB2 GLN 31 1HB GLN 31 1.572 -7.229 -4.529 213 HB3 GLN 31 2HB GLN 31 0.162 -6.672 -5.420 214 HG2 GLN 31 1HG GLN 31 1.279 -9.460 -5.587 215 HG3 GLN 31 2HG GLN 31 -0.038 -8.974 -4.521 216 HE21 GLN 31 1HE2 GLN 31 -0.438 -10.965 -6.313 217 HE22 GLN 31 2HE2 GLN 31 -1.494 -10.434 -7.573 218 H SER 32 H SER 32 1.257 -4.910 -7.887 219 HA SER 32 HA SER 32 2.844 -3.125 -6.211 220 HB2 SER 32 1HB SER 32 4.272 -3.878 -8.157 221 HB3 SER 32 2HB SER 32 3.121 -3.070 -9.220 222 HG SER 32 HG SER 32 3.746 -1.143 -8.467 223 H PHE 33 H PHE 33 2.176 -0.960 -6.266 224 HA PHE 33 HA PHE 33 -0.177 -0.327 -7.890 225 HB2 PHE 33 1HB PHE 33 -1.226 0.724 -5.835 226 HB3 PHE 33 2HB PHE 33 -1.201 -1.036 -5.863 227 HD1 PHE 33 1HD PHE 33 0.844 -2.147 -4.677 228 HD2 PHE 33 2HD PHE 33 -0.490 1.831 -3.957 229 HE1 PHE 33 1HE PHE 33 1.977 -2.166 -2.493 230 HE2 PHE 33 2HE PHE 33 0.643 1.818 -1.772 231 HZ PHE 33 HZ PHE 33 1.879 -0.180 -1.038 232 H THR 34 H THR 34 -0.803 2.107 -7.277 233 HA THR 34 HA THR 34 1.712 3.643 -7.360 234 HB THR 34 HB THR 34 -0.897 4.304 -8.740 235 HG1 THR 34 1HG THR 34 0.421 3.924 -10.639 236 HG21 THR 34 1HG2 THR 34 0.135 6.358 -8.184 237 HG22 THR 34 2HG2 THR 34 0.580 6.046 -9.862 238 HG23 THR 34 3HG2 THR 34 1.742 5.744 -8.570 239 H VAL 35 H VAL 35 1.969 5.242 -5.923 240 HA VAL 35 HA VAL 35 -0.333 5.928 -4.218 241 HB VAL 35 HB VAL 35 2.616 6.090 -3.582 242 HG11 VAL 35 1HG1 VAL 35 0.743 7.721 -2.557 243 HG12 VAL 35 2HG1 VAL 35 0.588 6.353 -1.455 244 HG13 VAL 35 3HG1 VAL 35 2.145 7.159 -1.648 245 HG21 VAL 35 1HG2 VAL 35 0.650 3.982 -3.319 246 HG22 VAL 35 2HG2 VAL 35 2.398 3.927 -3.088 247 HG23 VAL 35 3HG2 VAL 35 1.348 4.422 -1.760 248 H ASP 36 H ASP 36 -1.214 7.752 -4.984 249 HA ASP 36 HA ASP 36 0.471 9.871 -6.052 250 HB2 ASP 36 1HB ASP 36 -1.695 9.166 -7.140 251 HB3 ASP 36 2HB ASP 36 -2.536 9.865 -5.759 252 H SER 37 H SER 37 1.486 10.965 -4.465 253 HA SER 37 HA SER 37 -0.180 12.041 -2.282 254 HB2 SER 37 1HB SER 37 1.763 12.034 -0.852 255 HB3 SER 37 2HB SER 37 1.609 10.431 -1.570 256 HG SER 37 HG SER 37 3.092 11.676 -3.247 257 H SER 38 H SER 38 0.306 13.155 -4.969 258 HA SER 38 HA SER 38 2.148 15.310 -4.764 259 HB2 SER 38 1HB SER 38 1.394 14.389 -6.932 260 HB3 SER 38 2HB SER 38 -0.227 15.007 -6.618 261 HG SER 38 HG SER 38 0.803 16.519 -7.857 262 H LYS 39 H LYS 39 -1.306 14.970 -4.165 263 HA LYS 39 HA LYS 39 -1.734 17.766 -3.691 264 HB2 LYS 39 1HB LYS 39 -3.424 15.337 -3.074 265 HB3 LYS 39 2HB LYS 39 -3.951 16.994 -2.813 266 HG2 LYS 39 1HG LYS 39 -3.333 17.262 -5.346 267 HG3 LYS 39 2HG LYS 39 -3.546 15.509 -5.360 268 HD2 LYS 39 1HD LYS 39 -5.790 15.877 -4.288 269 HD3 LYS 39 2HD LYS 39 -5.565 17.605 -4.573 270 HE2 LYS 39 1HE LYS 39 -6.847 16.814 -6.388 271 HE3 LYS 39 2HE LYS 39 -5.211 17.017 -7.010 272 HZ1 LYS 39 1HZ LYS 39 -5.943 14.953 -7.802 273 HZ2 LYS 39 2HZ LYS 39 -6.595 14.497 -6.309 274 HZ3 LYS 39 3HZ LYS 39 -4.917 14.573 -6.510 275 H ALA 40 H ALA 40 -0.415 15.226 -1.878 276 HA ALA 40 HA ALA 40 -1.179 16.221 0.719 277 HB1 ALA 40 1HB ALA 40 0.116 13.866 -0.335 278 HB2 ALA 40 2HB ALA 40 0.980 14.504 1.064 279 HB3 ALA 40 3HB ALA 40 -0.730 14.097 1.195 280 H GLY 41 H GLY 41 1.662 16.357 -1.375 281 HA2 GLY 41 1HA GLY 41 2.760 18.664 -1.037 282 HA3 GLY 41 2HA GLY 41 3.002 18.078 0.603 283 H LEU 42 H LEU 42 5.166 17.870 0.717 284 HA LEU 42 HA LEU 42 6.453 16.138 -1.290 285 HB2 LEU 42 1HB LEU 42 8.556 17.345 -0.754 286 HB3 LEU 42 2HB LEU 42 7.327 18.339 -1.532 287 HG LEU 42 HG LEU 42 8.727 19.293 0.444 288 HD11 LEU 42 1HD1 LEU 42 6.729 20.616 1.175 289 HD12 LEU 42 2HD1 LEU 42 5.742 19.558 0.168 290 HD13 LEU 42 3HD1 LEU 42 6.990 20.562 -0.569 291 HD21 LEU 42 1HD2 LEU 42 7.700 18.952 2.626 292 HD22 LEU 42 2HD2 LEU 42 8.308 17.430 1.974 293 HD23 LEU 42 3HD2 LEU 42 6.580 17.781 1.928 294 H ALA 43 H ALA 43 5.143 15.644 1.415 295 HA ALA 43 HA ALA 43 7.285 14.835 3.147 296 HB1 ALA 43 1HB ALA 43 5.110 13.537 4.120 297 HB2 ALA 43 2HB ALA 43 5.537 15.204 4.506 298 HB3 ALA 43 3HB ALA 43 4.353 14.867 3.244 299 HA PRO 44 HA PRO 44 8.092 10.804 1.596 300 HB2 PRO 44 1HB PRO 44 8.769 9.514 3.886 301 HB3 PRO 44 2HB PRO 44 9.816 10.709 3.110 302 HG2 PRO 44 1HG PRO 44 7.965 11.040 5.439 303 HG3 PRO 44 2HG PRO 44 9.613 11.659 5.223 304 HD2 PRO 44 1HD PRO 44 7.418 13.201 4.853 305 HD3 PRO 44 2HD PRO 44 8.913 13.429 3.923 306 H LEU 45 H LEU 45 7.460 8.514 1.811 307 HA LEU 45 HA LEU 45 4.857 8.159 3.136 308 HB2 LEU 45 1HB LEU 45 4.347 8.485 0.838 309 HB3 LEU 45 2HB LEU 45 5.641 7.399 0.333 310 HG LEU 45 HG LEU 45 4.171 5.654 1.709 311 HD11 LEU 45 1HD1 LEU 45 1.746 6.279 0.895 312 HD12 LEU 45 2HD1 LEU 45 2.356 7.923 1.076 313 HD13 LEU 45 3HD1 LEU 45 2.358 6.825 2.456 314 HD21 LEU 45 1HD2 LEU 45 4.566 4.979 -0.418 315 HD22 LEU 45 2HD2 LEU 45 4.165 6.551 -1.111 316 HD23 LEU 45 3HD2 LEU 45 2.877 5.450 -0.619 317 H GLU 46 H GLU 46 4.709 6.388 4.358 318 HA GLU 46 HA GLU 46 6.846 4.377 4.124 319 HB2 GLU 46 1HB GLU 46 6.501 5.740 6.288 320 HB3 GLU 46 2HB GLU 46 5.077 4.735 6.530 321 HG2 GLU 46 1HG GLU 46 6.352 2.783 6.744 322 HG3 GLU 46 2HG GLU 46 7.788 3.545 6.063 323 H VAL 47 H VAL 47 6.323 2.158 4.332 324 HA VAL 47 HA VAL 47 3.489 1.450 4.093 325 HB VAL 47 HB VAL 47 5.600 0.403 2.203 326 HG11 VAL 47 1HG1 VAL 47 2.942 -0.485 2.917 327 HG12 VAL 47 2HG1 VAL 47 3.063 -0.116 1.196 328 HG13 VAL 47 3HG1 VAL 47 4.168 -1.280 1.929 329 HG21 VAL 47 1HG2 VAL 47 3.386 2.400 1.751 330 HG22 VAL 47 2HG2 VAL 47 5.121 2.700 1.654 331 HG23 VAL 47 3HG2 VAL 47 4.340 1.653 0.469 332 H ARG 48 H ARG 48 2.955 -0.575 4.866 333 HA ARG 48 HA ARG 48 5.059 -2.383 5.733 334 HB2 ARG 48 1HB ARG 48 3.341 -0.799 7.587 335 HB3 ARG 48 2HB ARG 48 3.723 -2.460 8.022 336 HG2 ARG 48 1HG ARG 48 5.937 -0.646 7.212 337 HG3 ARG 48 2HG ARG 48 5.229 -0.473 8.818 338 HD2 ARG 48 1HD ARG 48 5.589 -2.979 9.072 339 HD3 ARG 48 2HD ARG 48 6.594 -2.873 7.626 340 HE ARG 48 HE ARG 48 7.328 -0.998 9.673 341 HH11 ARG 48 1HH1 ARG 48 7.720 -4.254 8.507 342 HH12 ARG 48 2HH1 ARG 48 9.257 -4.482 9.273 343 HH21 ARG 48 1HH2 ARG 48 9.351 -1.286 10.688 344 HH22 ARG 48 2HH2 ARG 48 10.183 -2.794 10.514 345 H VAL 49 H VAL 49 4.440 -4.471 5.642 346 HA VAL 49 HA VAL 49 1.581 -5.011 5.166 347 HB VAL 49 HB VAL 49 3.946 -6.553 4.089 348 HG11 VAL 49 1HG1 VAL 49 1.198 -6.909 3.038 349 HG12 VAL 49 2HG1 VAL 49 2.513 -8.076 3.200 350 HG13 VAL 49 3HG1 VAL 49 1.561 -7.616 4.612 351 HG21 VAL 49 1HG2 VAL 49 4.024 -4.899 2.583 352 HG22 VAL 49 2HG2 VAL 49 2.534 -5.592 1.943 353 HG23 VAL 49 3HG2 VAL 49 2.463 -4.248 3.082 354 H LEU 50 H LEU 50 0.589 -6.358 6.524 355 HA LEU 50 HA LEU 50 2.245 -8.116 8.211 356 HB2 LEU 50 1HB LEU 50 -0.109 -6.408 8.967 357 HB3 LEU 50 2HB LEU 50 0.414 -7.774 9.950 358 HG LEU 50 HG LEU 50 2.355 -5.607 9.257 359 HD11 LEU 50 1HD1 LEU 50 0.291 -4.530 10.137 360 HD12 LEU 50 2HD1 LEU 50 1.705 -4.324 11.170 361 HD13 LEU 50 3HD1 LEU 50 0.463 -5.501 11.599 362 HD21 LEU 50 1HD2 LEU 50 3.088 -6.276 11.629 363 HD22 LEU 50 2HD2 LEU 50 3.401 -7.402 10.308 364 HD23 LEU 50 3HD2 LEU 50 2.043 -7.679 11.401 365 H GLY 51 H GLY 51 1.790 -10.193 7.932 366 HA2 GLY 51 1HA GLY 51 -0.307 -11.126 6.307 367 HA3 GLY 51 2HA GLY 51 0.680 -12.121 7.368 368 HA PRO 52 HA PRO 52 -3.786 -11.830 8.878 369 HB2 PRO 52 1HB PRO 52 -4.428 -14.442 8.507 370 HB3 PRO 52 2HB PRO 52 -4.666 -13.208 7.264 371 HG2 PRO 52 1HG PRO 52 -2.446 -15.193 7.561 372 HG3 PRO 52 2HG PRO 52 -3.320 -14.703 6.098 373 HD2 PRO 52 1HD PRO 52 -0.869 -13.738 6.721 374 HD3 PRO 52 2HD PRO 52 -2.080 -12.777 5.850 375 H ARG 53 H ARG 53 -1.465 -14.510 9.232 376 HA ARG 53 HA ARG 53 -2.338 -15.102 11.907 377 HB2 ARG 53 1HB ARG 53 0.185 -16.050 10.548 378 HB3 ARG 53 2HB ARG 53 -0.642 -16.797 11.908 379 HG2 ARG 53 1HG ARG 53 -1.482 -18.151 10.333 380 HG3 ARG 53 2HG ARG 53 -2.611 -16.822 10.060 381 HD2 ARG 53 1HD ARG 53 -1.896 -17.092 7.924 382 HD3 ARG 53 2HD ARG 53 -0.630 -15.999 8.482 383 HE ARG 53 HE ARG 53 0.871 -17.684 8.173 384 HH11 ARG 53 1HH1 ARG 53 -2.303 -19.078 8.497 385 HH12 ARG 53 2HH1 ARG 53 -1.770 -20.692 8.167 386 HH21 ARG 53 1HH2 ARG 53 1.585 -19.806 7.736 387 HH22 ARG 53 2HH2 ARG 53 0.441 -21.106 7.734 388 H GLY 54 H GLY 54 0.216 -13.234 10.412 389 HA2 GLY 54 1HA GLY 54 0.833 -11.329 12.015 390 HA3 GLY 54 2HA GLY 54 1.330 -12.639 13.075 391 H LEU 55 H LEU 55 1.759 -12.676 9.594 392 HA LEU 55 HA LEU 55 4.612 -13.022 9.961 393 HB2 LEU 55 1HB LEU 55 3.726 -14.501 8.394 394 HB3 LEU 55 2HB LEU 55 2.734 -13.253 7.641 395 HG LEU 55 HG LEU 55 5.000 -12.236 6.905 396 HD11 LEU 55 1HD1 LEU 55 6.728 -13.981 6.529 397 HD12 LEU 55 2HD1 LEU 55 5.796 -15.067 7.561 398 HD13 LEU 55 3HD1 LEU 55 6.476 -13.583 8.229 399 HD21 LEU 55 1HD2 LEU 55 5.055 -14.031 5.006 400 HD22 LEU 55 2HD2 LEU 55 3.662 -12.963 5.180 401 HD23 LEU 55 3HD2 LEU 55 3.587 -14.617 5.790 402 H VAL 56 H VAL 56 6.216 -11.732 8.994 403 HA VAL 56 HA VAL 56 5.332 -8.993 8.355 404 HB VAL 56 HB VAL 56 7.956 -9.878 9.563 405 HG11 VAL 56 1HG1 VAL 56 7.846 -7.198 9.917 406 HG12 VAL 56 2HG1 VAL 56 8.682 -7.988 8.578 407 HG13 VAL 56 3HG1 VAL 56 7.050 -7.356 8.352 408 HG21 VAL 56 1HG2 VAL 56 6.210 -10.043 11.195 409 HG22 VAL 56 2HG2 VAL 56 7.144 -8.587 11.539 410 HG23 VAL 56 3HG2 VAL 56 5.573 -8.461 10.748 411 H GLU 57 H GLU 57 5.507 -8.534 6.269 412 HA GLU 57 HA GLU 57 7.703 -9.761 4.736 413 HB2 GLU 57 1HB GLU 57 4.953 -8.880 3.860 414 HB3 GLU 57 2HB GLU 57 6.236 -9.293 2.730 415 HG2 GLU 57 1HG GLU 57 5.275 -11.189 4.848 416 HG3 GLU 57 2HG GLU 57 4.549 -11.099 3.244 417 HA PRO 58 HA PRO 58 9.387 -5.741 4.113 418 HB2 PRO 58 1HB PRO 58 10.826 -6.227 1.863 419 HB3 PRO 58 2HB PRO 58 11.310 -6.815 3.458 420 HG2 PRO 58 1HG PRO 58 9.902 -8.267 1.251 421 HG3 PRO 58 2HG PRO 58 11.223 -8.826 2.294 422 HD2 PRO 58 1HD PRO 58 8.640 -9.520 2.715 423 HD3 PRO 58 2HD PRO 58 9.803 -9.318 4.041 424 H VAL 59 H VAL 59 9.573 -4.037 2.414 425 HA VAL 59 HA VAL 59 7.554 -4.248 0.299 426 HB VAL 59 HB VAL 59 6.697 -1.990 0.836 427 HG11 VAL 59 1HG1 VAL 59 5.347 -2.655 2.781 428 HG12 VAL 59 2HG1 VAL 59 5.469 -3.947 1.585 429 HG13 VAL 59 3HG1 VAL 59 6.436 -4.014 3.059 430 HG21 VAL 59 1HG2 VAL 59 7.359 -1.706 3.535 431 HG22 VAL 59 2HG2 VAL 59 8.881 -2.054 2.716 432 HG23 VAL 59 3HG2 VAL 59 7.891 -0.691 2.193 433 H ASN 60 H ASN 60 7.674 -2.314 -1.197 434 HA ASN 60 HA ASN 60 10.460 -1.388 -1.444 435 HB2 ASN 60 1HB ASN 60 10.136 -3.028 -3.155 436 HB3 ASN 60 2HB ASN 60 8.576 -2.344 -3.601 437 HD21 ASN 60 1HD2 ASN 60 8.495 -0.493 -4.848 438 HD22 ASN 60 2HD2 ASN 60 9.875 0.119 -5.689 439 H VAL 61 H VAL 61 10.794 0.723 -2.002 440 HA VAL 61 HA VAL 61 8.427 2.385 -2.532 441 HB VAL 61 HB VAL 61 10.622 3.049 -0.565 442 HG11 VAL 61 1HG1 VAL 61 8.240 4.672 -1.455 443 HG12 VAL 61 2HG1 VAL 61 9.334 5.099 -0.138 444 HG13 VAL 61 3HG1 VAL 61 9.934 5.025 -1.795 445 HG21 VAL 61 1HG2 VAL 61 7.793 3.048 0.255 446 HG22 VAL 61 2HG2 VAL 61 8.484 1.466 -0.105 447 HG23 VAL 61 3HG2 VAL 61 9.227 2.494 1.120 448 H VAL 62 H VAL 62 8.715 3.280 -4.460 449 HA VAL 62 HA VAL 62 11.308 4.505 -5.075 450 HB VAL 62 HB VAL 62 9.773 2.731 -6.979 451 HG11 VAL 62 1HG1 VAL 62 10.965 3.537 -8.702 452 HG12 VAL 62 2HG1 VAL 62 11.194 4.946 -7.666 453 HG13 VAL 62 3HG1 VAL 62 12.436 3.695 -7.741 454 HG21 VAL 62 1HG2 VAL 62 11.120 1.558 -5.250 455 HG22 VAL 62 2HG2 VAL 62 11.676 1.265 -6.898 456 HG23 VAL 62 3HG2 VAL 62 12.551 2.389 -5.857 457 H ASP 63 H ASP 63 10.999 6.573 -5.533 458 HA ASP 63 HA ASP 63 8.396 7.626 -6.092 459 HB2 ASP 63 1HB ASP 63 9.958 8.923 -4.759 460 HB3 ASP 63 2HB ASP 63 11.121 8.940 -6.082 461 H ASN 64 H ASN 64 7.533 8.287 -7.988 462 HA ASN 64 HA ASN 64 8.713 7.318 -10.412 463 HB2 ASN 64 1HB ASN 64 6.192 8.858 -9.806 464 HB3 ASN 64 2HB ASN 64 6.676 8.461 -11.452 465 HD21 ASN 64 1HD2 ASN 64 6.091 6.985 -8.292 466 HD22 ASN 64 2HD2 ASN 64 5.455 5.502 -8.909 467 H GLY 65 H GLY 65 8.080 10.520 -9.025 468 HA2 GLY 65 1HA GLY 65 9.828 12.211 -9.390 469 HA3 GLY 65 2HA GLY 65 9.922 11.637 -11.048 470 H ASP 66 H ASP 66 6.922 11.392 -11.096 471 HA ASP 66 HA ASP 66 6.426 14.123 -11.938 472 HB2 ASP 66 1HB ASP 66 5.742 12.054 -13.258 473 HB3 ASP 66 2HB ASP 66 4.486 11.815 -12.047 474 H GLY 67 H GLY 67 5.111 11.808 -9.593 475 HA2 GLY 67 1HA GLY 67 4.613 13.498 -7.528 476 HA3 GLY 67 2HA GLY 67 3.208 13.713 -8.561 477 H THR 68 H THR 68 4.942 10.684 -8.182 478 HA THR 68 HA THR 68 2.928 9.634 -6.366 479 HB THR 68 HB THR 68 2.315 7.759 -7.788 480 HG1 THR 68 1HG THR 68 4.054 7.476 -9.118 481 HG21 THR 68 1HG2 THR 68 1.139 10.045 -7.925 482 HG22 THR 68 2HG2 THR 68 0.818 8.871 -9.202 483 HG23 THR 68 3HG2 THR 68 1.936 10.204 -9.489 484 H HIS 69 H HIS 69 3.408 7.132 -6.109 485 HA HIS 69 HA HIS 69 6.268 6.576 -6.264 486 HB2 HIS 69 1HB HIS 69 4.771 6.335 -3.650 487 HB3 HIS 69 2HB HIS 69 6.488 6.055 -3.924 488 HD1 HIS 69 1HD HIS 69 7.938 7.950 -3.295 489 HD2 HIS 69 2HD HIS 69 4.091 9.202 -4.240 490 HE1 HIS 69 1HE HIS 69 7.914 10.428 -2.868 491 HE2 HIS 69 2HE HIS 69 5.551 11.149 -3.365 492 H THR 70 H THR 70 6.692 4.485 -6.670 493 HA THR 70 HA THR 70 4.420 2.666 -6.878 494 HB THR 70 HB THR 70 7.260 2.432 -7.888 495 HG1 THR 70 1HG THR 70 4.915 2.510 -9.461 496 HG21 THR 70 1HG2 THR 70 4.982 0.564 -8.514 497 HG22 THR 70 2HG2 THR 70 6.147 0.244 -7.230 498 HG23 THR 70 3HG2 THR 70 6.691 0.371 -8.902 499 H VAL 71 H VAL 71 4.242 0.745 -5.795 500 HA VAL 71 HA VAL 71 6.330 0.103 -3.823 501 HB VAL 71 HB VAL 71 3.355 0.059 -3.294 502 HG11 VAL 71 1HG1 VAL 71 5.678 -0.646 -1.504 503 HG12 VAL 71 2HG1 VAL 71 3.986 -0.562 -1.008 504 HG13 VAL 71 3HG1 VAL 71 4.503 -1.774 -2.180 505 HG21 VAL 71 1HG2 VAL 71 5.541 1.850 -2.243 506 HG22 VAL 71 2HG2 VAL 71 4.187 2.321 -3.271 507 HG23 VAL 71 3HG2 VAL 71 3.895 1.799 -1.612 508 H THR 72 H THR 72 7.141 -1.725 -4.678 509 HA THR 72 HA THR 72 5.329 -3.759 -5.735 510 HB THR 72 HB THR 72 7.429 -4.922 -6.439 511 HG1 THR 72 1HG THR 72 8.748 -2.512 -5.713 512 HG21 THR 72 1HG2 THR 72 7.433 -2.079 -7.423 513 HG22 THR 72 2HG2 THR 72 6.142 -3.209 -7.835 514 HG23 THR 72 3HG2 THR 72 7.804 -3.553 -8.317 515 H TYR 73 H TYR 73 4.984 -5.706 -4.799 516 HA TYR 73 HA TYR 73 6.660 -6.684 -2.667 517 HB2 TYR 73 1HB TYR 73 5.173 -6.531 -0.881 518 HB3 TYR 73 2HB TYR 73 4.960 -4.980 -1.684 519 HD1 TYR 73 1HD TYR 73 2.918 -4.495 -2.936 520 HD2 TYR 73 2HD TYR 73 3.415 -8.189 -0.885 521 HE1 TYR 73 1HE TYR 73 0.503 -4.922 -3.132 522 HE2 TYR 73 2HE TYR 73 1.002 -8.628 -1.077 523 HH TYR 73 HH TYR 73 -1.230 -6.244 -2.006 524 H THR 74 H THR 74 5.509 -8.719 -1.668 525 HA THR 74 HA THR 74 3.823 -10.120 -3.573 526 HB THR 74 HB THR 74 6.517 -11.265 -2.816 527 HG1 THR 74 1HG THR 74 5.721 -10.496 -5.424 528 HG21 THR 74 1HG2 THR 74 5.964 -13.153 -4.023 529 HG22 THR 74 2HG2 THR 74 4.750 -12.311 -4.986 530 HG23 THR 74 3HG2 THR 74 4.405 -12.739 -3.311 531 HA PRO 75 HA PRO 75 2.409 -11.413 0.473 532 HB2 PRO 75 1HB PRO 75 0.198 -12.698 -0.435 533 HB3 PRO 75 2HB PRO 75 0.288 -10.940 -0.275 534 HG2 PRO 75 1HG PRO 75 0.629 -12.639 -2.716 535 HG3 PRO 75 2HG PRO 75 -0.254 -11.113 -2.529 536 HD2 PRO 75 1HD PRO 75 2.221 -11.238 -3.618 537 HD3 PRO 75 2HD PRO 75 1.660 -9.839 -2.679 538 H SER 76 H SER 76 4.052 -12.904 0.949 539 HA SER 76 HA SER 76 4.777 -15.227 -0.196 540 HB2 SER 76 1HB SER 76 5.882 -14.596 1.808 541 HB3 SER 76 2HB SER 76 4.383 -14.627 2.736 542 HG SER 76 HG SER 76 6.123 -16.610 2.305 543 H GLN 77 H GLN 77 2.087 -14.988 2.133 544 HA GLN 77 HA GLN 77 0.952 -17.418 0.914 545 HB2 GLN 77 1HB GLN 77 0.144 -18.135 3.034 546 HB3 GLN 77 2HB GLN 77 1.837 -17.711 3.256 547 HG2 GLN 77 1HG GLN 77 0.791 -15.376 3.918 548 HG3 GLN 77 2HG GLN 77 -0.605 -16.387 4.291 549 HE21 GLN 77 1HE2 GLN 77 0.424 -15.088 6.337 550 HE22 GLN 77 2HE2 GLN 77 1.336 -16.129 7.370 551 H GLU 78 H GLU 78 -1.468 -17.597 1.390 552 HA GLU 78 HA GLU 78 -2.694 -15.108 0.541 553 HB2 GLU 78 1HB GLU 78 -4.687 -16.456 0.133 554 HB3 GLU 78 2HB GLU 78 -3.275 -17.201 -0.604 555 HG2 GLU 78 1HG GLU 78 -4.676 -18.872 0.438 556 HG3 GLU 78 2HG GLU 78 -3.122 -18.767 1.262 557 H GLY 79 H GLY 79 -4.997 -14.725 1.489 558 HA2 GLY 79 1HA GLY 79 -6.305 -15.037 3.588 559 HA3 GLY 79 2HA GLY 79 -4.772 -14.878 4.433 560 HA PRO 80 HA PRO 80 -6.975 -10.727 4.036 561 HB2 PRO 80 1HB PRO 80 -7.368 -10.322 6.691 562 HB3 PRO 80 2HB PRO 80 -8.540 -11.155 5.663 563 HG2 PRO 80 1HG PRO 80 -6.490 -12.305 7.517 564 HG3 PRO 80 2HG PRO 80 -8.178 -12.791 7.275 565 HD2 PRO 80 1HD PRO 80 -6.104 -14.125 6.157 566 HD3 PRO 80 2HD PRO 80 -7.690 -13.995 5.370 567 H TYR 81 H TYR 81 -4.860 -10.045 3.375 568 HA TYR 81 HA TYR 81 -2.800 -9.613 5.334 569 HB2 TYR 81 1HB TYR 81 -3.104 -9.195 2.409 570 HB3 TYR 81 2HB TYR 81 -1.927 -8.184 3.239 571 HD1 TYR 81 1HD TYR 81 -2.865 -11.748 3.817 572 HD2 TYR 81 2HD TYR 81 0.161 -9.002 2.627 573 HE1 TYR 81 1HE TYR 81 -1.235 -13.588 3.733 574 HE2 TYR 81 2HE TYR 81 1.799 -10.834 2.540 575 HH TYR 81 HH TYR 81 2.149 -13.006 2.812 576 H MET 82 H MET 82 -1.813 -7.444 5.641 577 HA MET 82 HA MET 82 -3.766 -5.258 5.504 578 HB2 MET 82 1HB MET 82 -3.768 -6.324 7.781 579 HB3 MET 82 2HB MET 82 -2.088 -5.833 7.949 580 HG2 MET 82 1HG MET 82 -2.631 -3.568 8.016 581 HG3 MET 82 2HG MET 82 -4.236 -3.841 7.342 582 HE1 MET 82 1HE MET 82 -2.343 -4.672 11.161 583 HE2 MET 82 2HE MET 82 -1.996 -3.395 9.995 584 HE3 MET 82 3HE MET 82 -3.056 -3.072 11.369 585 H VAL 83 H VAL 83 -2.858 -3.733 4.297 586 HA VAL 83 HA VAL 83 0.051 -3.337 4.451 587 HB VAL 83 HB VAL 83 -1.923 -2.522 2.316 588 HG11 VAL 83 1HG1 VAL 83 0.847 -1.660 2.866 589 HG12 VAL 83 2HG1 VAL 83 0.469 -2.065 1.190 590 HG13 VAL 83 3HG1 VAL 83 -0.459 -0.821 2.029 591 HG21 VAL 83 1HG2 VAL 83 0.444 -4.318 1.949 592 HG22 VAL 83 2HG2 VAL 83 -1.075 -4.957 2.577 593 HG23 VAL 83 3HG2 VAL 83 -1.029 -4.200 0.985 594 H SER 84 H SER 84 0.319 -1.951 6.143 595 HA SER 84 HA SER 84 -1.369 0.374 6.455 596 HB2 SER 84 1HB SER 84 -0.276 -1.022 8.340 597 HB3 SER 84 2HB SER 84 1.189 -0.114 7.966 598 HG SER 84 HG SER 84 -1.318 1.043 8.629 599 H VAL 85 H VAL 85 -0.780 2.506 6.160 600 HA VAL 85 HA VAL 85 1.841 3.058 4.972 601 HB VAL 85 HB VAL 85 -0.809 3.779 3.725 602 HG11 VAL 85 1HG1 VAL 85 0.873 4.864 2.004 603 HG12 VAL 85 2HG1 VAL 85 0.268 5.769 3.394 604 HG13 VAL 85 3HG1 VAL 85 1.872 5.037 3.447 605 HG21 VAL 85 1HG2 VAL 85 -0.369 1.877 2.628 606 HG22 VAL 85 2HG2 VAL 85 0.845 2.824 1.766 607 HG23 VAL 85 3HG2 VAL 85 1.312 1.849 3.160 608 H LYS 86 H LYS 86 2.649 5.079 5.393 609 HA LYS 86 HA LYS 86 0.952 6.894 6.970 610 HB2 LYS 86 1HB LYS 86 2.843 5.454 8.165 611 HB3 LYS 86 2HB LYS 86 3.869 6.749 7.561 612 HG2 LYS 86 1HG LYS 86 2.717 8.381 8.812 613 HG3 LYS 86 2HG LYS 86 1.393 7.273 9.177 614 HD2 LYS 86 1HD LYS 86 3.077 5.857 10.414 615 HD3 LYS 86 2HD LYS 86 4.215 7.194 10.228 616 HE2 LYS 86 1HE LYS 86 2.813 8.654 11.496 617 HE3 LYS 86 2HE LYS 86 1.500 7.478 11.502 618 HZ1 LYS 86 1HZ LYS 86 2.512 6.214 13.086 619 HZ2 LYS 86 2HZ LYS 86 3.085 7.736 13.546 620 HZ3 LYS 86 3HZ LYS 86 4.076 6.694 12.656 621 H TYR 87 H TYR 87 2.023 9.125 7.143 622 HA TYR 87 HA TYR 87 3.728 9.870 4.937 623 HB2 TYR 87 1HB TYR 87 1.186 9.756 4.202 624 HB3 TYR 87 2HB TYR 87 1.120 11.325 4.995 625 HD1 TYR 87 1HD TYR 87 2.869 9.424 2.329 626 HD2 TYR 87 2HD TYR 87 1.900 13.255 3.905 627 HE1 TYR 87 1HE TYR 87 3.771 10.480 0.299 628 HE2 TYR 87 2HE TYR 87 2.798 14.322 1.879 629 HH TYR 87 HH TYR 87 3.172 13.626 -0.557 630 H ALA 88 H ALA 88 5.151 11.067 6.017 631 HA ALA 88 HA ALA 88 6.057 12.724 7.286 632 HB1 ALA 88 1HB ALA 88 3.426 14.133 7.411 633 HB2 ALA 88 2HB ALA 88 5.050 14.800 7.251 634 HB3 ALA 88 3HB ALA 88 4.285 14.004 5.876 635 H ASP 89 H ASP 89 5.111 10.463 8.633 636 HA ASP 89 HA ASP 89 4.758 9.705 10.749 637 HB2 ASP 89 1HB ASP 89 5.546 12.540 11.186 638 HB3 ASP 89 2HB ASP 89 4.802 11.693 12.541 639 H GLU 90 H GLU 90 2.529 10.370 9.101 640 HA GLU 90 HA GLU 90 0.508 10.634 11.181 641 HB2 GLU 90 1HB GLU 90 0.644 12.425 8.754 642 HB3 GLU 90 2HB GLU 90 -0.798 12.234 9.741 643 HG2 GLU 90 1HG GLU 90 0.730 12.920 11.702 644 HG3 GLU 90 2HG GLU 90 1.808 13.518 10.441 645 H GLU 91 H GLU 91 -0.419 8.691 10.944 646 HA GLU 91 HA GLU 91 -0.573 7.142 8.662 647 HB2 GLU 91 1HB GLU 91 -2.039 7.234 11.236 648 HB3 GLU 91 2HB GLU 91 -2.811 6.343 9.933 649 HG2 GLU 91 1HG GLU 91 -1.145 4.759 9.842 650 HG3 GLU 91 2HG GLU 91 0.052 5.825 10.575 651 H ILE 92 H ILE 92 -1.504 7.525 6.774 652 HA ILE 92 HA ILE 92 -3.239 9.620 6.205 653 HB ILE 92 HB ILE 92 -3.702 8.496 4.074 654 HG12 ILE 92 1HG1 ILE 92 -2.088 6.182 5.160 655 HG13 ILE 92 2HG1 ILE 92 -3.846 6.190 5.071 656 HG21 ILE 92 1HG2 ILE 92 -1.740 9.654 3.877 657 HG22 ILE 92 2HG2 ILE 92 -0.934 8.720 5.136 658 HG23 ILE 92 3HG2 ILE 92 -1.165 8.022 3.533 659 HD11 ILE 92 1HD1 ILE 92 -3.621 5.301 3.056 660 HD12 ILE 92 2HD1 ILE 92 -3.038 6.878 2.518 661 HD13 ILE 92 3HD1 ILE 92 -1.890 5.638 3.022 662 HA PRO 93 HA PRO 93 -7.245 8.336 7.465 663 HB2 PRO 93 1HB PRO 93 -8.782 9.513 5.562 664 HB3 PRO 93 2HB PRO 93 -7.973 10.424 6.843 665 HG2 PRO 93 1HG PRO 93 -7.142 10.009 3.997 666 HG3 PRO 93 2HG PRO 93 -7.099 11.490 4.970 667 HD2 PRO 93 1HD PRO 93 -4.900 9.973 4.529 668 HD3 PRO 93 2HD PRO 93 -5.143 10.886 6.031 669 H ARG 94 H ARG 94 -5.723 7.022 4.882 670 HA ARG 94 HA ARG 94 -8.040 5.348 4.161 671 HB2 ARG 94 1HB ARG 94 -5.611 6.054 2.504 672 HB3 ARG 94 2HB ARG 94 -6.853 4.907 2.021 673 HG2 ARG 94 1HG ARG 94 -7.337 7.823 2.591 674 HG3 ARG 94 2HG ARG 94 -7.120 7.125 0.986 675 HD2 ARG 94 1HD ARG 94 -9.087 5.724 1.316 676 HD3 ARG 94 2HD ARG 94 -9.291 6.375 2.941 677 HE ARG 94 HE ARG 94 -10.228 8.263 2.037 678 HH11 ARG 94 1HH1 ARG 94 -8.660 6.433 -0.476 679 HH12 ARG 94 2HH1 ARG 94 -9.304 7.399 -1.761 680 HH21 ARG 94 1HH2 ARG 94 -11.083 9.542 0.353 681 HH22 ARG 94 2HH2 ARG 94 -10.681 9.168 -1.289 682 H SER 95 H SER 95 -5.417 5.335 6.044 683 HA SER 95 HA SER 95 -4.824 2.493 5.535 684 HB2 SER 95 1HB SER 95 -2.730 3.370 5.279 685 HB3 SER 95 2HB SER 95 -3.085 4.786 6.268 686 HG SER 95 HG SER 95 -2.549 3.707 8.041 687 HA PRO 96 HA PRO 96 -3.334 1.099 6.766 688 HB2 PRO 96 1HB PRO 96 -4.177 -1.359 7.552 689 HB3 PRO 96 2HB PRO 96 -3.067 -0.372 8.510 690 HG2 PRO 96 1HG PRO 96 -6.020 -0.744 8.821 691 HG3 PRO 96 2HG PRO 96 -4.760 -0.706 10.068 692 HD2 PRO 96 1HD PRO 96 -6.342 1.425 9.529 693 HD3 PRO 96 2HD PRO 96 -4.662 1.597 10.076 694 H PHE 97 H PHE 97 -3.749 -0.939 5.325 695 HA PHE 97 HA PHE 97 -6.326 -0.554 3.949 696 HB2 PHE 97 1HB PHE 97 -3.588 -1.140 2.822 697 HB3 PHE 97 2HB PHE 97 -5.066 -1.322 1.884 698 HD1 PHE 97 2HD PHE 97 -2.893 1.091 3.614 699 HD2 PHE 97 1HD PHE 97 -6.201 0.559 0.990 700 HE1 PHE 97 2HE PHE 97 -2.807 3.479 3.027 701 HE2 PHE 97 1HE PHE 97 -6.120 2.946 0.398 702 HZ PHE 97 HZ PHE 97 -4.422 4.410 1.417 703 H LYS 98 H LYS 98 -7.597 -2.279 3.727 704 HA LYS 98 HA LYS 98 -6.600 -4.863 4.650 705 HB2 LYS 98 1HB LYS 98 -9.384 -3.833 4.091 706 HB3 LYS 98 2HB LYS 98 -9.042 -5.500 4.538 707 HG2 LYS 98 1HG LYS 98 -8.448 -4.941 6.696 708 HG3 LYS 98 2HG LYS 98 -8.080 -3.268 6.271 709 HD2 LYS 98 1HD LYS 98 -10.389 -2.724 6.077 710 HD3 LYS 98 2HD LYS 98 -10.860 -4.423 6.177 711 HE2 LYS 98 1HE LYS 98 -9.406 -3.026 8.406 712 HE3 LYS 98 2HE LYS 98 -11.163 -3.000 8.271 713 HZ1 LYS 98 1HZ LYS 98 -10.374 -4.775 9.728 714 HZ2 LYS 98 2HZ LYS 98 -9.503 -5.455 8.449 715 HZ3 LYS 98 3HZ LYS 98 -11.192 -5.398 8.385 716 H VAL 99 H VAL 99 -5.645 -6.040 3.112 717 HA VAL 99 HA VAL 99 -6.993 -6.253 0.498 718 HB VAL 99 HB VAL 99 -4.040 -6.464 1.098 719 HG11 VAL 99 1HG1 VAL 99 -5.665 -7.279 -1.239 720 HG12 VAL 99 2HG1 VAL 99 -4.137 -6.461 -1.569 721 HG13 VAL 99 3HG1 VAL 99 -4.156 -7.946 -0.617 722 HG21 VAL 99 1HG2 VAL 99 -5.588 -4.464 -0.547 723 HG22 VAL 99 2HG2 VAL 99 -4.897 -4.169 1.048 724 HG23 VAL 99 3HG2 VAL 99 -3.838 -4.492 -0.325 725 H LYS 100 H LYS 100 -8.088 -8.114 0.523 726 HA LYS 100 HA LYS 100 -7.128 -10.423 1.967 727 HB2 LYS 100 1HB LYS 100 -9.567 -9.731 1.731 728 HB3 LYS 100 2HB LYS 100 -9.476 -10.318 0.076 729 HG2 LYS 100 1HG LYS 100 -8.626 -12.510 1.171 730 HG3 LYS 100 2HG LYS 100 -9.356 -11.850 2.636 731 HD2 LYS 100 1HD LYS 100 -11.140 -13.010 1.798 732 HD3 LYS 100 2HD LYS 100 -11.403 -11.451 1.013 733 HE2 LYS 100 1HE LYS 100 -10.331 -12.254 -1.005 734 HE3 LYS 100 2HE LYS 100 -9.947 -13.786 -0.222 735 HZ1 LYS 100 1HZ LYS 100 -12.150 -13.306 -1.707 736 HZ2 LYS 100 2HZ LYS 100 -12.743 -13.108 -0.136 737 HZ3 LYS 100 3HZ LYS 100 -11.995 -14.559 -0.581 738 H VAL 101 H VAL 101 -5.443 -11.464 1.094 739 HA VAL 101 HA VAL 101 -5.004 -11.638 -1.729 740 HB VAL 101 HB VAL 101 -3.662 -13.180 0.497 741 HG11 VAL 101 1HG1 VAL 101 -1.796 -13.077 -1.371 742 HG12 VAL 101 2HG1 VAL 101 -3.017 -14.351 -1.357 743 HG13 VAL 101 3HG1 VAL 101 -3.200 -12.964 -2.432 744 HG21 VAL 101 1HG2 VAL 101 -2.272 -11.440 0.869 745 HG22 VAL 101 2HG2 VAL 101 -2.281 -10.931 -0.820 746 HG23 VAL 101 3HG2 VAL 101 -3.622 -10.496 0.239 747 H LEU 102 H LEU 102 -4.979 -13.545 -3.005 748 HA LEU 102 HA LEU 102 -6.780 -15.657 -2.016 749 HB2 LEU 102 1HB LEU 102 -6.486 -14.463 -4.758 750 HB3 LEU 102 2HB LEU 102 -7.305 -15.998 -4.474 751 HG LEU 102 HG LEU 102 -8.157 -13.418 -3.176 752 HD11 LEU 102 1HD1 LEU 102 -9.341 -14.664 -5.648 753 HD12 LEU 102 2HD1 LEU 102 -8.232 -13.294 -5.671 754 HD13 LEU 102 3HD1 LEU 102 -9.800 -13.144 -4.879 755 HD21 LEU 102 1HD2 LEU 102 -9.667 -14.662 -2.128 756 HD22 LEU 102 2HD2 LEU 102 -8.854 -16.098 -2.751 757 HD23 LEU 102 3HD2 LEU 102 -10.197 -15.385 -3.647 758 HA PRO 103 HA PRO 103 -3.666 -18.654 -2.786 759 HB2 PRO 103 1HB PRO 103 -5.161 -20.788 -3.551 760 HB3 PRO 103 2HB PRO 103 -5.101 -20.206 -1.883 761 HG2 PRO 103 1HG PRO 103 -7.170 -19.712 -3.990 762 HG3 PRO 103 2HG PRO 103 -7.391 -20.090 -2.271 763 HD2 PRO 103 1HD PRO 103 -7.592 -17.572 -3.245 764 HD3 PRO 103 2HD PRO 103 -6.990 -17.919 -1.611 765 H THR 104 H THR 104 -2.296 -18.665 -4.444 766 HA THR 104 HA THR 104 -2.567 -17.871 -6.974 767 HB THR 104 HB THR 104 -0.962 -20.279 -6.099 768 HG1 THR 104 1HG THR 104 0.095 -17.733 -6.670 769 HG21 THR 104 1HG2 THR 104 0.414 -19.822 -8.113 770 HG22 THR 104 2HG2 THR 104 -0.795 -18.648 -8.635 771 HG23 THR 104 3HG2 THR 104 -1.222 -20.353 -8.501 772 H TYR 105 H TYR 105 -3.711 -20.935 -5.731 773 HA TYR 105 HA TYR 105 -4.477 -21.863 -8.380 774 HB2 TYR 105 1HB TYR 105 -4.524 -23.075 -5.632 775 HB3 TYR 105 2HB TYR 105 -5.446 -23.803 -6.943 776 HD1 TYR 105 1HD TYR 105 -2.023 -22.309 -6.705 777 HD2 TYR 105 2HD TYR 105 -4.392 -25.686 -7.745 778 HE1 TYR 105 1HE TYR 105 0.000 -23.485 -7.465 779 HE2 TYR 105 2HE TYR 105 -2.376 -26.873 -8.506 780 HH TYR 105 HH TYR 105 0.269 -26.621 -7.844 781 H ASP 106 H ASP 106 -5.727 -19.476 -7.556 782 HA ASP 106 HA ASP 106 -8.379 -20.108 -6.608 783 HB2 ASP 106 1HB ASP 106 -7.593 -17.997 -5.907 784 HB3 ASP 106 2HB ASP 106 -7.031 -17.576 -7.523 785 H ALA 107 H ALA 107 -10.025 -20.733 -7.830 786 HA ALA 107 HA ALA 107 -9.838 -20.342 -10.741 787 HB1 ALA 107 1HB ALA 107 -11.829 -22.190 -10.365 788 HB2 ALA 107 2HB ALA 107 -10.147 -22.554 -10.753 789 HB3 ALA 107 3HB ALA 107 -10.690 -22.578 -9.075 790 H SER 108 H SER 108 -10.669 -18.155 -10.450 791 HA SER 108 HA SER 108 -13.176 -17.583 -9.320 792 HB2 SER 108 1HB SER 108 -11.403 -15.900 -9.916 793 HB3 SER 108 2HB SER 108 -11.869 -16.094 -11.606 794 HG SER 108 HG SER 108 -13.038 -14.620 -9.677 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -7.789 28.701 -0.684 2 HA2 GLY 1 1HA GLY 1 -7.977 27.633 -2.871 3 HA3 GLY 1 2HA GLY 1 -8.207 29.234 -3.558 4 H SER 2 H SER 2 -6.503 30.035 -4.570 5 HA SER 2 HA SER 2 -3.967 28.774 -4.498 6 HB2 SER 2 1HB SER 2 -5.043 31.273 -5.761 7 HB3 SER 2 2HB SER 2 -3.306 30.972 -5.762 8 HG SER 2 HG SER 2 -4.453 28.729 -6.506 9 H SER 3 H SER 3 -4.964 32.029 -3.430 10 HA SER 3 HA SER 3 -2.493 32.495 -2.063 11 HB2 SER 3 1HB SER 3 -5.125 33.974 -2.114 12 HB3 SER 3 2HB SER 3 -3.748 34.513 -1.154 13 HG SER 3 HG SER 3 -4.053 35.342 -3.427 14 H GLY 4 H GLY 4 -2.315 30.730 -0.624 15 HA2 GLY 4 1HA GLY 4 -4.072 30.974 1.738 16 HA3 GLY 4 2HA GLY 4 -3.585 29.407 1.108 17 H SER 5 H SER 5 -2.093 28.488 2.330 18 HA SER 5 HA SER 5 -0.280 30.164 3.894 19 HB2 SER 5 1HB SER 5 -1.256 27.355 4.086 20 HB3 SER 5 2HB SER 5 0.345 27.710 4.738 21 HG SER 5 HG SER 5 -2.064 29.052 5.421 22 H SER 6 H SER 6 2.008 29.427 4.093 23 HA SER 6 HA SER 6 3.397 29.623 1.754 24 HB2 SER 6 1HB SER 6 4.424 29.813 3.993 25 HB3 SER 6 2HB SER 6 4.286 28.067 4.196 26 HG SER 6 HG SER 6 5.566 28.947 1.896 27 H GLY 7 H GLY 7 2.913 26.540 3.496 28 HA2 GLY 7 1HA GLY 7 2.097 25.030 1.309 29 HA3 GLY 7 2HA GLY 7 3.852 24.945 1.345 30 H VAL 8 H VAL 8 1.071 24.614 3.549 31 HA VAL 8 HA VAL 8 2.460 22.967 5.400 32 HB VAL 8 HB VAL 8 0.243 22.494 6.364 33 HG11 VAL 8 1HG1 VAL 8 0.487 25.411 5.653 34 HG12 VAL 8 2HG1 VAL 8 -0.233 24.710 7.104 35 HG13 VAL 8 3HG1 VAL 8 1.509 24.605 6.843 36 HG21 VAL 8 1HG2 VAL 8 -0.668 23.728 3.804 37 HG22 VAL 8 2HG2 VAL 8 -1.278 22.303 4.645 38 HG23 VAL 8 3HG2 VAL 8 -1.653 23.915 5.255 39 H VAL 9 H VAL 9 1.732 20.727 5.952 40 HA VAL 9 HA VAL 9 1.579 19.141 3.493 41 HB VAL 9 HB VAL 9 2.415 18.405 6.297 42 HG11 VAL 9 1HG1 VAL 9 1.449 16.423 5.653 43 HG12 VAL 9 2HG1 VAL 9 1.770 16.698 3.939 44 HG13 VAL 9 3HG1 VAL 9 3.081 16.218 5.017 45 HG21 VAL 9 1HG2 VAL 9 4.268 17.827 4.160 46 HG22 VAL 9 2HG2 VAL 9 3.822 19.532 4.174 47 HG23 VAL 9 3HG2 VAL 9 4.501 18.787 5.620 48 H ASP 10 H ASP 10 -0.102 17.846 3.025 49 HA ASP 10 HA ASP 10 -2.205 17.531 5.064 50 HB2 ASP 10 1HB ASP 10 -2.677 19.149 3.105 51 HB3 ASP 10 2HB ASP 10 -2.801 17.693 2.120 52 HA PRO 11 HA PRO 11 -0.977 13.291 3.967 53 HB2 PRO 11 1HB PRO 11 -1.835 12.219 6.310 54 HB3 PRO 11 2HB PRO 11 -0.262 13.006 6.133 55 HG2 PRO 11 1HG PRO 11 -2.813 14.100 7.256 56 HG3 PRO 11 2HG PRO 11 -1.156 14.272 7.866 57 HD2 PRO 11 1HD PRO 11 -2.399 16.221 6.455 58 HD3 PRO 11 2HD PRO 11 -0.646 15.952 6.372 59 H SER 12 H SER 12 -3.876 14.871 4.220 60 HA SER 12 HA SER 12 -5.499 12.442 3.958 61 HB2 SER 12 1HB SER 12 -6.524 15.277 4.127 62 HB3 SER 12 2HB SER 12 -7.407 13.782 4.437 63 HG SER 12 HG SER 12 -6.806 14.765 6.385 64 H LYS 13 H LYS 13 -3.747 14.287 1.984 65 HA LYS 13 HA LYS 13 -5.730 14.351 -0.183 66 HB2 LYS 13 1HB LYS 13 -2.999 15.642 -0.122 67 HB3 LYS 13 2HB LYS 13 -4.262 15.898 -1.319 68 HG2 LYS 13 1HG LYS 13 -4.442 16.650 1.592 69 HG3 LYS 13 2HG LYS 13 -4.087 17.757 0.263 70 HD2 LYS 13 1HD LYS 13 -6.644 16.325 0.898 71 HD3 LYS 13 2HD LYS 13 -6.373 18.049 0.625 72 HE2 LYS 13 1HE LYS 13 -5.699 17.335 -1.758 73 HE3 LYS 13 2HE LYS 13 -6.508 15.818 -1.374 74 HZ1 LYS 13 1HZ LYS 13 -7.871 18.408 -0.989 75 HZ2 LYS 13 2HZ LYS 13 -8.552 16.870 -1.169 76 HZ3 LYS 13 3HZ LYS 13 -7.858 17.649 -2.501 77 H VAL 14 H VAL 14 -3.143 12.553 1.001 78 HA VAL 14 HA VAL 14 -2.183 11.617 -1.565 79 HB VAL 14 HB VAL 14 -0.578 11.769 0.237 80 HG11 VAL 14 1HG1 VAL 14 -1.972 11.512 2.160 81 HG12 VAL 14 2HG1 VAL 14 -2.412 9.869 1.689 82 HG13 VAL 14 3HG1 VAL 14 -0.762 10.230 2.198 83 HG21 VAL 14 1HG2 VAL 14 0.274 10.108 -1.023 84 HG22 VAL 14 2HG2 VAL 14 -0.137 9.101 0.366 85 HG23 VAL 14 3HG2 VAL 14 -1.231 9.187 -1.015 86 H LYS 15 H LYS 15 -2.790 9.812 -2.608 87 HA LYS 15 HA LYS 15 -4.496 7.874 -1.212 88 HB2 LYS 15 1HB LYS 15 -5.076 9.053 -3.936 89 HB3 LYS 15 2HB LYS 15 -5.978 7.746 -3.180 90 HG2 LYS 15 1HG LYS 15 -6.590 9.284 -1.344 91 HG3 LYS 15 2HG LYS 15 -5.776 10.589 -2.211 92 HD2 LYS 15 1HD LYS 15 -7.990 8.950 -3.427 93 HD3 LYS 15 2HD LYS 15 -8.287 10.432 -2.516 94 HE2 LYS 15 1HE LYS 15 -7.352 11.770 -4.124 95 HE3 LYS 15 2HE LYS 15 -6.283 10.498 -4.714 96 HZ1 LYS 15 1HZ LYS 15 -9.216 10.401 -5.100 97 HZ2 LYS 15 2HZ LYS 15 -8.027 9.499 -5.896 98 HZ3 LYS 15 3HZ LYS 15 -8.186 11.155 -6.210 99 H ILE 16 H ILE 16 -4.806 5.862 -2.616 100 HA ILE 16 HA ILE 16 -2.516 5.333 -4.357 101 HB ILE 16 HB ILE 16 -1.893 3.307 -3.230 102 HG12 ILE 16 1HG1 ILE 16 -4.060 3.945 -1.216 103 HG13 ILE 16 2HG1 ILE 16 -4.150 2.679 -2.435 104 HG21 ILE 16 1HG2 ILE 16 -2.032 5.780 -1.558 105 HG22 ILE 16 2HG2 ILE 16 -1.324 4.305 -0.902 106 HG23 ILE 16 3HG2 ILE 16 -0.642 5.042 -2.352 107 HD11 ILE 16 1HD1 ILE 16 -1.914 1.899 -1.278 108 HD12 ILE 16 2HD1 ILE 16 -2.600 2.782 0.086 109 HD13 ILE 16 3HD1 ILE 16 -3.497 1.452 -0.644 110 H ALA 17 H ALA 17 -2.953 3.956 -6.000 111 HA ALA 17 HA ALA 17 -5.386 2.333 -5.897 112 HB1 ALA 17 1HB ALA 17 -4.820 4.107 -8.261 113 HB2 ALA 17 2HB ALA 17 -6.272 3.160 -7.930 114 HB3 ALA 17 3HB ALA 17 -5.896 4.572 -6.943 115 H GLY 18 H GLY 18 -5.322 0.482 -7.143 116 HA2 GLY 18 1HA GLY 18 -3.872 -0.241 -9.282 117 HA3 GLY 18 2HA GLY 18 -2.670 -0.326 -8.003 118 HA PRO 19 HA PRO 19 -5.073 -4.357 -8.358 119 HB2 PRO 19 1HB PRO 19 -2.949 -5.924 -8.994 120 HB3 PRO 19 2HB PRO 19 -3.936 -5.105 -10.210 121 HG2 PRO 19 1HG PRO 19 -1.287 -4.304 -9.069 122 HG3 PRO 19 2HG PRO 19 -1.840 -4.258 -10.753 123 HD2 PRO 19 1HD PRO 19 -1.782 -2.056 -9.178 124 HD3 PRO 19 2HD PRO 19 -2.998 -2.288 -10.451 125 H GLY 20 H GLY 20 -1.836 -3.673 -7.061 126 HA2 GLY 20 1HA GLY 20 -1.586 -5.719 -5.227 127 HA3 GLY 20 2HA GLY 20 -0.927 -4.106 -4.996 128 H LEU 21 H LEU 21 -3.718 -2.986 -5.106 129 HA LEU 21 HA LEU 21 -4.399 -3.598 -2.314 130 HB2 LEU 21 1HB LEU 21 -5.366 -1.239 -3.902 131 HB3 LEU 21 2HB LEU 21 -5.354 -1.446 -2.152 132 HG LEU 21 HG LEU 21 -2.752 -1.390 -3.608 133 HD11 LEU 21 1HD1 LEU 21 -2.919 1.178 -3.033 134 HD12 LEU 21 2HD1 LEU 21 -4.637 0.888 -3.303 135 HD13 LEU 21 3HD1 LEU 21 -3.473 0.542 -4.582 136 HD21 LEU 21 1HD2 LEU 21 -2.598 -1.855 -1.299 137 HD22 LEU 21 2HD2 LEU 21 -3.757 -0.590 -0.888 138 HD23 LEU 21 3HD2 LEU 21 -2.152 -0.157 -1.478 139 H GLY 22 H GLY 22 -5.551 -3.794 -5.553 140 HA2 GLY 22 1HA GLY 22 -8.319 -3.805 -5.176 141 HA3 GLY 22 2HA GLY 22 -7.473 -4.670 -6.450 142 H SER 23 H SER 23 -9.631 -5.901 -5.684 143 HA SER 23 HA SER 23 -9.046 -7.736 -3.498 144 HB2 SER 23 1HB SER 23 -11.489 -7.522 -5.274 145 HB3 SER 23 2HB SER 23 -11.339 -8.558 -3.856 146 HG SER 23 HG SER 23 -11.854 -5.875 -4.018 147 H GLY 24 H GLY 24 -7.862 -7.623 -6.402 148 HA2 GLY 24 1HA GLY 24 -8.301 -10.478 -7.014 149 HA3 GLY 24 2HA GLY 24 -7.870 -9.265 -8.210 150 H VAL 25 H VAL 25 -6.510 -9.969 -5.001 151 HA VAL 25 HA VAL 25 -3.853 -10.065 -6.232 152 HB VAL 25 HB VAL 25 -4.690 -9.796 -3.343 153 HG11 VAL 25 1HG1 VAL 25 -2.680 -10.539 -2.766 154 HG12 VAL 25 2HG1 VAL 25 -2.219 -10.727 -4.460 155 HG13 VAL 25 3HG1 VAL 25 -1.965 -9.185 -3.641 156 HG21 VAL 25 1HG2 VAL 25 -3.532 -7.887 -5.358 157 HG22 VAL 25 2HG2 VAL 25 -5.046 -7.745 -4.464 158 HG23 VAL 25 3HG2 VAL 25 -3.505 -7.575 -3.622 159 H ARG 26 H ARG 26 -2.557 -11.834 -6.168 160 HA ARG 26 HA ARG 26 -3.682 -14.264 -4.934 161 HB2 ARG 26 1HB ARG 26 -2.010 -14.044 -7.445 162 HB3 ARG 26 2HB ARG 26 -2.569 -15.547 -6.722 163 HG2 ARG 26 1HG ARG 26 -4.927 -14.561 -7.009 164 HG3 ARG 26 2HG ARG 26 -4.152 -13.432 -8.122 165 HD2 ARG 26 1HD ARG 26 -3.236 -15.389 -9.362 166 HD3 ARG 26 2HD ARG 26 -4.186 -16.440 -8.312 167 HE ARG 26 HE ARG 26 -6.053 -15.892 -9.517 168 HH11 ARG 26 1HH1 ARG 26 -3.527 -13.605 -10.226 169 HH12 ARG 26 2HH1 ARG 26 -4.402 -12.839 -11.511 170 HH21 ARG 26 1HH2 ARG 26 -7.215 -14.892 -11.206 171 HH22 ARG 26 2HH2 ARG 26 -6.500 -13.571 -12.067 172 H ALA 27 H ALA 27 -2.278 -15.674 -3.890 173 HA ALA 27 HA ALA 27 -0.045 -14.495 -2.613 174 HB1 ALA 27 1HB ALA 27 -0.786 -17.416 -2.736 175 HB2 ALA 27 2HB ALA 27 0.271 -16.643 -1.553 176 HB3 ALA 27 3HB ALA 27 -1.447 -16.249 -1.590 177 H ARG 28 H ARG 28 2.167 -15.062 -2.740 178 HA ARG 28 HA ARG 28 4.123 -15.396 -3.854 179 HB2 ARG 28 1HB ARG 28 2.532 -17.685 -5.022 180 HB3 ARG 28 2HB ARG 28 4.269 -17.484 -5.216 181 HG2 ARG 28 1HG ARG 28 4.229 -17.395 -2.592 182 HG3 ARG 28 2HG ARG 28 2.704 -18.256 -2.809 183 HD2 ARG 28 1HD ARG 28 3.957 -19.872 -4.280 184 HD3 ARG 28 2HD ARG 28 5.442 -19.085 -3.747 185 HE ARG 28 HE ARG 28 3.830 -19.921 -1.550 186 HH11 ARG 28 1HH1 ARG 28 6.098 -21.035 -3.944 187 HH12 ARG 28 2HH1 ARG 28 6.653 -22.368 -2.985 188 HH21 ARG 28 1HH2 ARG 28 4.553 -21.671 -0.278 189 HH22 ARG 28 2HH2 ARG 28 5.773 -22.728 -0.902 190 H VAL 29 H VAL 29 2.289 -13.519 -4.984 191 HA VAL 29 HA VAL 29 3.120 -13.668 -7.806 192 HB VAL 29 HB VAL 29 0.459 -12.711 -6.747 193 HG11 VAL 29 1HG1 VAL 29 -0.061 -12.229 -9.135 194 HG12 VAL 29 2HG1 VAL 29 1.162 -11.163 -8.440 195 HG13 VAL 29 3HG1 VAL 29 1.644 -12.480 -9.509 196 HG21 VAL 29 1HG2 VAL 29 0.061 -14.476 -8.838 197 HG22 VAL 29 2HG2 VAL 29 1.408 -15.180 -7.944 198 HG23 VAL 29 3HG2 VAL 29 -0.113 -14.835 -7.120 199 H LEU 30 H LEU 30 3.463 -11.634 -8.847 200 HA LEU 30 HA LEU 30 4.658 -9.690 -7.112 201 HB2 LEU 30 1HB LEU 30 5.590 -10.301 -9.316 202 HB3 LEU 30 2HB LEU 30 4.182 -9.573 -10.087 203 HG LEU 30 HG LEU 30 4.957 -7.421 -8.827 204 HD11 LEU 30 1HD1 LEU 30 7.010 -7.348 -7.942 205 HD12 LEU 30 2HD1 LEU 30 7.706 -8.340 -9.222 206 HD13 LEU 30 3HD1 LEU 30 6.874 -9.105 -7.869 207 HD21 LEU 30 1HD2 LEU 30 5.256 -6.867 -10.953 208 HD22 LEU 30 2HD2 LEU 30 5.506 -8.556 -11.397 209 HD23 LEU 30 3HD2 LEU 30 6.873 -7.567 -10.880 210 H GLN 31 H GLN 31 3.482 -8.253 -6.035 211 HA GLN 31 HA GLN 31 1.118 -7.097 -7.358 212 HB2 GLN 31 1HB GLN 31 1.660 -7.273 -4.391 213 HB3 GLN 31 2HB GLN 31 0.186 -6.696 -5.156 214 HG2 GLN 31 1HG GLN 31 1.234 -9.501 -5.433 215 HG3 GLN 31 2HG GLN 31 0.050 -9.001 -4.226 216 HE21 GLN 31 1HE2 GLN 31 -0.448 -10.977 -6.115 217 HE22 GLN 31 2HE2 GLN 31 -1.678 -10.420 -7.193 218 H SER 32 H SER 32 1.143 -4.994 -7.808 219 HA SER 32 HA SER 32 2.858 -3.199 -6.263 220 HB2 SER 32 1HB SER 32 4.129 -3.982 -8.291 221 HB3 SER 32 2HB SER 32 2.892 -3.217 -9.287 222 HG SER 32 HG SER 32 4.051 -1.664 -7.289 223 H PHE 33 H PHE 33 2.285 -0.970 -6.442 224 HA PHE 33 HA PHE 33 -0.153 -0.301 -7.874 225 HB2 PHE 33 1HB PHE 33 -1.160 0.676 -5.767 226 HB3 PHE 33 2HB PHE 33 -1.138 -1.083 -5.849 227 HD1 PHE 33 1HD PHE 33 0.874 -2.254 -4.710 228 HD2 PHE 33 2HD PHE 33 -0.333 1.746 -3.899 229 HE1 PHE 33 1HE PHE 33 2.050 -2.341 -2.550 230 HE2 PHE 33 2HE PHE 33 0.842 1.666 -1.738 231 HZ PHE 33 HZ PHE 33 2.036 -0.379 -1.061 232 H THR 34 H THR 34 -0.735 2.105 -7.281 233 HA THR 34 HA THR 34 1.794 3.620 -7.309 234 HB THR 34 HB THR 34 -0.828 4.308 -8.651 235 HG1 THR 34 1HG THR 34 0.421 2.697 -9.729 236 HG21 THR 34 1HG2 THR 34 1.475 5.863 -9.455 237 HG22 THR 34 2HG2 THR 34 1.151 6.045 -7.730 238 HG23 THR 34 3HG2 THR 34 -0.111 6.406 -8.909 239 H VAL 35 H VAL 35 2.033 5.341 -5.970 240 HA VAL 35 HA VAL 35 -0.222 5.953 -4.172 241 HB VAL 35 HB VAL 35 2.725 6.117 -3.524 242 HG11 VAL 35 1HG1 VAL 35 0.500 7.382 -2.347 243 HG12 VAL 35 2HG1 VAL 35 0.998 6.095 -1.247 244 HG13 VAL 35 3HG1 VAL 35 2.158 7.324 -1.750 245 HG21 VAL 35 1HG2 VAL 35 0.767 3.949 -3.311 246 HG22 VAL 35 2HG2 VAL 35 2.530 3.893 -3.292 247 HG23 VAL 35 3HG2 VAL 35 1.644 4.282 -1.818 248 H ASP 36 H ASP 36 -1.071 7.823 -4.842 249 HA ASP 36 HA ASP 36 0.599 9.910 -5.965 250 HB2 ASP 36 1HB ASP 36 -1.641 9.379 -6.914 251 HB3 ASP 36 2HB ASP 36 -2.375 9.931 -5.411 252 H SER 37 H SER 37 1.703 11.170 -4.623 253 HA SER 37 HA SER 37 0.337 12.168 -2.210 254 HB2 SER 37 1HB SER 37 2.409 12.091 -0.982 255 HB3 SER 37 2HB SER 37 2.148 10.502 -1.702 256 HG SER 37 HG SER 37 4.276 11.957 -1.939 257 H SER 38 H SER 38 0.638 13.274 -4.955 258 HA SER 38 HA SER 38 2.503 15.442 -4.783 259 HB2 SER 38 1HB SER 38 1.822 14.469 -6.949 260 HB3 SER 38 2HB SER 38 0.177 15.047 -6.683 261 HG SER 38 HG SER 38 2.293 16.878 -6.543 262 H LYS 39 H LYS 39 -0.931 15.016 -4.180 263 HA LYS 39 HA LYS 39 -1.398 17.831 -3.753 264 HB2 LYS 39 1HB LYS 39 -3.097 15.368 -3.382 265 HB3 LYS 39 2HB LYS 39 -3.653 16.972 -2.924 266 HG2 LYS 39 1HG LYS 39 -2.615 16.583 -5.679 267 HG3 LYS 39 2HG LYS 39 -4.207 15.934 -5.279 268 HD2 LYS 39 1HD LYS 39 -4.760 18.047 -6.001 269 HD3 LYS 39 2HD LYS 39 -4.590 18.319 -4.266 270 HE2 LYS 39 1HE LYS 39 -2.583 19.431 -4.503 271 HE3 LYS 39 2HE LYS 39 -2.216 18.656 -6.044 272 HZ1 LYS 39 1HZ LYS 39 -3.083 21.154 -5.835 273 HZ2 LYS 39 2HZ LYS 39 -4.567 20.362 -6.002 274 HZ3 LYS 39 3HZ LYS 39 -3.377 20.186 -7.192 275 H ALA 40 H ALA 40 -0.298 15.185 -1.895 276 HA ALA 40 HA ALA 40 -1.173 16.124 0.665 277 HB1 ALA 40 1HB ALA 40 0.820 14.047 -0.197 278 HB2 ALA 40 2HB ALA 40 0.542 14.447 1.498 279 HB3 ALA 40 3HB ALA 40 -0.776 13.810 0.515 280 H GLY 41 H GLY 41 1.805 16.374 -1.227 281 HA2 GLY 41 1HA GLY 41 2.807 18.708 -0.772 282 HA3 GLY 41 2HA GLY 41 2.955 18.093 0.867 283 H LEU 42 H LEU 42 5.138 18.031 1.066 284 HA LEU 42 HA LEU 42 6.597 16.353 -0.867 285 HB2 LEU 42 1HB LEU 42 8.583 17.699 0.311 286 HB3 LEU 42 2HB LEU 42 7.751 18.269 -1.135 287 HG LEU 42 HG LEU 42 8.159 19.998 0.640 288 HD11 LEU 42 1HD1 LEU 42 6.259 21.143 0.078 289 HD12 LEU 42 2HD1 LEU 42 5.218 19.734 0.268 290 HD13 LEU 42 3HD1 LEU 42 6.247 19.883 -1.156 291 HD21 LEU 42 1HD2 LEU 42 7.528 19.655 2.739 292 HD22 LEU 42 2HD2 LEU 42 7.016 18.028 2.290 293 HD23 LEU 42 3HD2 LEU 42 5.865 19.363 2.229 294 H ALA 43 H ALA 43 5.138 15.822 1.790 295 HA ALA 43 HA ALA 43 7.195 14.994 3.605 296 HB1 ALA 43 1HB ALA 43 5.358 15.342 4.859 297 HB2 ALA 43 2HB ALA 43 4.253 14.953 3.539 298 HB3 ALA 43 3HB ALA 43 5.012 13.658 4.466 299 HA PRO 44 HA PRO 44 8.141 11.006 2.024 300 HB2 PRO 44 1HB PRO 44 8.729 9.687 4.323 301 HB3 PRO 44 2HB PRO 44 9.792 10.910 3.619 302 HG2 PRO 44 1HG PRO 44 7.827 11.174 5.861 303 HG3 PRO 44 2HG PRO 44 9.472 11.821 5.733 304 HD2 PRO 44 1HD PRO 44 7.274 13.336 5.283 305 HD3 PRO 44 2HD PRO 44 8.808 13.602 4.431 306 H LEU 45 H LEU 45 7.542 8.697 2.185 307 HA LEU 45 HA LEU 45 4.867 8.297 3.346 308 HB2 LEU 45 1HB LEU 45 4.555 8.611 0.996 309 HB3 LEU 45 2HB LEU 45 5.857 7.483 0.621 310 HG LEU 45 HG LEU 45 4.314 5.757 1.840 311 HD11 LEU 45 1HD1 LEU 45 2.510 8.069 1.307 312 HD12 LEU 45 2HD1 LEU 45 2.548 6.961 2.678 313 HD13 LEU 45 3HD1 LEU 45 1.889 6.427 1.131 314 HD21 LEU 45 1HD2 LEU 45 4.455 6.732 -0.907 315 HD22 LEU 45 2HD2 LEU 45 2.963 5.865 -0.542 316 HD23 LEU 45 3HD2 LEU 45 4.524 5.085 -0.282 317 H GLU 46 H GLU 46 4.634 6.503 4.531 318 HA GLU 46 HA GLU 46 6.815 4.528 4.459 319 HB2 GLU 46 1HB GLU 46 6.301 5.940 6.586 320 HB3 GLU 46 2HB GLU 46 4.939 4.844 6.778 321 HG2 GLU 46 1HG GLU 46 6.294 3.010 7.155 322 HG3 GLU 46 2HG GLU 46 7.693 3.760 6.387 323 H VAL 47 H VAL 47 6.298 2.308 4.665 324 HA VAL 47 HA VAL 47 3.484 1.572 4.324 325 HB VAL 47 HB VAL 47 5.672 0.585 2.489 326 HG11 VAL 47 1HG1 VAL 47 2.710 0.011 2.529 327 HG12 VAL 47 2HG1 VAL 47 3.845 -0.536 1.294 328 HG13 VAL 47 3HG1 VAL 47 3.997 -1.117 2.952 329 HG21 VAL 47 1HG2 VAL 47 4.054 1.730 0.786 330 HG22 VAL 47 2HG2 VAL 47 3.565 2.679 2.190 331 HG23 VAL 47 3HG2 VAL 47 5.246 2.692 1.660 332 H ARG 48 H ARG 48 2.982 -0.562 4.926 333 HA ARG 48 HA ARG 48 5.083 -2.287 5.931 334 HB2 ARG 48 1HB ARG 48 4.847 -1.070 7.919 335 HB3 ARG 48 2HB ARG 48 3.109 -0.899 7.718 336 HG2 ARG 48 1HG ARG 48 2.673 -3.027 8.490 337 HG3 ARG 48 2HG ARG 48 4.296 -3.608 8.111 338 HD2 ARG 48 1HD ARG 48 4.488 -3.417 10.374 339 HD3 ARG 48 2HD ARG 48 4.972 -1.788 9.906 340 HE ARG 48 HE ARG 48 2.552 -2.561 11.280 341 HH11 ARG 48 1HH1 ARG 48 4.183 -0.107 9.428 342 HH12 ARG 48 2HH1 ARG 48 3.183 1.183 10.011 343 HH21 ARG 48 1HH2 ARG 48 1.227 -0.873 12.054 344 HH22 ARG 48 2HH2 ARG 48 1.502 0.745 11.505 345 H VAL 49 H VAL 49 4.479 -4.426 6.048 346 HA VAL 49 HA VAL 49 1.720 -5.032 5.201 347 HB VAL 49 HB VAL 49 4.223 -6.589 4.536 348 HG11 VAL 49 1HG1 VAL 49 2.295 -7.495 2.861 349 HG12 VAL 49 2HG1 VAL 49 2.739 -8.272 4.381 350 HG13 VAL 49 3HG1 VAL 49 1.353 -7.181 4.319 351 HG21 VAL 49 1HG2 VAL 49 2.819 -5.652 2.245 352 HG22 VAL 49 2HG2 VAL 49 3.111 -4.285 3.320 353 HG23 VAL 49 3HG2 VAL 49 4.461 -5.273 2.764 354 H LEU 50 H LEU 50 0.571 -6.139 6.630 355 HA LEU 50 HA LEU 50 1.995 -7.708 8.673 356 HB2 LEU 50 1HB LEU 50 -0.449 -6.033 8.722 357 HB3 LEU 50 2HB LEU 50 -0.442 -7.478 9.732 358 HG LEU 50 HG LEU 50 0.215 -5.381 10.910 359 HD11 LEU 50 1HD1 LEU 50 0.929 -7.197 12.090 360 HD12 LEU 50 2HD1 LEU 50 2.485 -6.456 11.720 361 HD13 LEU 50 3HD1 LEU 50 1.908 -7.819 10.761 362 HD21 LEU 50 1HD2 LEU 50 1.856 -5.051 8.648 363 HD22 LEU 50 2HD2 LEU 50 2.933 -5.304 10.022 364 HD23 LEU 50 3HD2 LEU 50 1.738 -4.008 10.065 365 H GLY 51 H GLY 51 1.706 -9.846 8.743 366 HA2 GLY 51 1HA GLY 51 0.184 -11.167 6.730 367 HA3 GLY 51 2HA GLY 51 1.026 -11.938 8.067 368 HA PRO 52 HA PRO 52 -3.705 -11.926 8.596 369 HB2 PRO 52 1HB PRO 52 -4.170 -14.535 8.007 370 HB3 PRO 52 2HB PRO 52 -4.222 -13.252 6.793 371 HG2 PRO 52 1HG PRO 52 -2.022 -15.183 7.414 372 HG3 PRO 52 2HG PRO 52 -2.631 -14.651 5.836 373 HD2 PRO 52 1HD PRO 52 -0.372 -13.646 6.941 374 HD3 PRO 52 2HD PRO 52 -1.439 -12.679 5.901 375 H ARG 53 H ARG 53 -1.081 -14.073 9.468 376 HA ARG 53 HA ARG 53 -2.398 -14.552 12.061 377 HB2 ARG 53 1HB ARG 53 -0.698 -16.632 11.935 378 HB3 ARG 53 2HB ARG 53 -2.359 -16.711 11.362 379 HG2 ARG 53 1HG ARG 53 -0.958 -17.687 9.706 380 HG3 ARG 53 2HG ARG 53 -1.528 -16.137 9.086 381 HD2 ARG 53 1HD ARG 53 0.841 -16.451 8.610 382 HD3 ARG 53 2HD ARG 53 0.590 -15.100 9.717 383 HE ARG 53 HE ARG 53 1.073 -17.087 11.426 384 HH11 ARG 53 1HH1 ARG 53 2.707 -16.154 8.496 385 HH12 ARG 53 2HH1 ARG 53 4.256 -16.721 9.025 386 HH21 ARG 53 1HH2 ARG 53 3.108 -17.837 12.132 387 HH22 ARG 53 2HH2 ARG 53 4.482 -17.680 11.093 388 H GLY 54 H GLY 54 -0.059 -12.832 10.648 389 HA2 GLY 54 1HA GLY 54 1.366 -11.504 12.112 390 HA3 GLY 54 2HA GLY 54 1.659 -12.963 13.046 391 H LEU 55 H LEU 55 2.006 -11.800 9.693 392 HA LEU 55 HA LEU 55 4.635 -13.129 9.627 393 HB2 LEU 55 1HB LEU 55 2.984 -14.219 8.172 394 HB3 LEU 55 2HB LEU 55 2.725 -12.689 7.336 395 HG LEU 55 HG LEU 55 5.072 -12.756 6.559 396 HD11 LEU 55 1HD1 LEU 55 5.995 -15.236 6.740 397 HD12 LEU 55 2HD1 LEU 55 5.083 -15.192 8.249 398 HD13 LEU 55 3HD1 LEU 55 6.356 -14.008 7.954 399 HD21 LEU 55 1HD2 LEU 55 3.272 -15.073 5.892 400 HD22 LEU 55 2HD2 LEU 55 4.751 -14.713 5.003 401 HD23 LEU 55 3HD2 LEU 55 3.434 -13.540 5.036 402 H VAL 56 H VAL 56 6.331 -12.059 8.585 403 HA VAL 56 HA VAL 56 5.880 -9.175 8.189 404 HB VAL 56 HB VAL 56 8.447 -10.595 8.914 405 HG11 VAL 56 1HG1 VAL 56 8.575 -8.465 7.515 406 HG12 VAL 56 2HG1 VAL 56 7.962 -7.632 8.945 407 HG13 VAL 56 3HG1 VAL 56 9.495 -8.500 9.018 408 HG21 VAL 56 1HG2 VAL 56 6.338 -9.241 10.514 409 HG22 VAL 56 2HG2 VAL 56 7.308 -10.663 10.897 410 HG23 VAL 56 3HG2 VAL 56 8.019 -9.053 11.015 411 H GLU 57 H GLU 57 5.932 -8.507 6.155 412 HA GLU 57 HA GLU 57 7.644 -9.955 4.242 413 HB2 GLU 57 1HB GLU 57 4.958 -8.655 3.771 414 HB3 GLU 57 2HB GLU 57 6.000 -9.258 2.490 415 HG2 GLU 57 1HG GLU 57 5.892 -11.482 3.859 416 HG3 GLU 57 2HG GLU 57 4.425 -10.760 4.520 417 HA PRO 58 HA PRO 58 9.720 -6.127 3.584 418 HB2 PRO 58 1HB PRO 58 10.802 -6.655 1.150 419 HB3 PRO 58 2HB PRO 58 11.403 -7.379 2.645 420 HG2 PRO 58 1HG PRO 58 9.570 -8.539 0.583 421 HG3 PRO 58 2HG PRO 58 10.931 -9.302 1.425 422 HD2 PRO 58 1HD PRO 58 8.354 -9.715 2.148 423 HD3 PRO 58 2HD PRO 58 9.688 -9.719 3.321 424 H VAL 59 H VAL 59 9.896 -4.364 1.951 425 HA VAL 59 HA VAL 59 7.694 -4.236 0.036 426 HB VAL 59 HB VAL 59 7.092 -1.939 0.850 427 HG11 VAL 59 1HG1 VAL 59 5.646 -2.730 2.639 428 HG12 VAL 59 2HG1 VAL 59 5.705 -3.905 1.325 429 HG13 VAL 59 3HG1 VAL 59 6.624 -4.187 2.804 430 HG21 VAL 59 1HG2 VAL 59 7.955 -1.013 2.728 431 HG22 VAL 59 2HG2 VAL 59 8.169 -2.569 3.530 432 HG23 VAL 59 3HG2 VAL 59 9.333 -2.035 2.317 433 H ASN 60 H ASN 60 7.859 -2.320 -1.390 434 HA ASN 60 HA ASN 60 10.640 -1.386 -1.652 435 HB2 ASN 60 1HB ASN 60 10.076 -3.114 -3.350 436 HB3 ASN 60 2HB ASN 60 8.773 -2.080 -3.930 437 HD21 ASN 60 1HD2 ASN 60 9.219 -0.631 -5.444 438 HD22 ASN 60 2HD2 ASN 60 10.803 -0.185 -5.969 439 H VAL 61 H VAL 61 10.949 0.737 -2.196 440 HA VAL 61 HA VAL 61 8.561 2.382 -2.680 441 HB VAL 61 HB VAL 61 9.018 2.687 -0.346 442 HG11 VAL 61 1HG1 VAL 61 11.116 3.154 0.592 443 HG12 VAL 61 2HG1 VAL 61 11.430 1.878 -0.587 444 HG13 VAL 61 3HG1 VAL 61 11.824 3.554 -0.973 445 HG21 VAL 61 1HG2 VAL 61 8.534 4.830 -0.665 446 HG22 VAL 61 2HG2 VAL 61 10.253 5.169 -0.853 447 HG23 VAL 61 3HG2 VAL 61 9.268 4.791 -2.267 448 H VAL 62 H VAL 62 8.846 3.219 -4.639 449 HA VAL 62 HA VAL 62 11.377 4.573 -5.228 450 HB VAL 62 HB VAL 62 10.007 2.682 -7.146 451 HG11 VAL 62 1HG1 VAL 62 11.419 4.947 -7.772 452 HG12 VAL 62 2HG1 VAL 62 12.657 3.690 -7.837 453 HG13 VAL 62 3HG1 VAL 62 11.203 3.549 -8.825 454 HG21 VAL 62 1HG2 VAL 62 11.999 1.322 -6.963 455 HG22 VAL 62 2HG2 VAL 62 12.722 2.478 -5.844 456 HG23 VAL 62 3HG2 VAL 62 11.295 1.559 -5.364 457 H ASP 63 H ASP 63 10.890 6.618 -5.630 458 HA ASP 63 HA ASP 63 8.280 7.518 -6.264 459 HB2 ASP 63 1HB ASP 63 9.792 8.962 -5.052 460 HB3 ASP 63 2HB ASP 63 10.952 8.928 -6.378 461 H ASN 64 H ASN 64 7.356 8.117 -8.166 462 HA ASN 64 HA ASN 64 8.425 7.000 -10.566 463 HB2 ASN 64 1HB ASN 64 5.998 8.705 -10.000 464 HB3 ASN 64 2HB ASN 64 6.405 8.134 -11.616 465 HD21 ASN 64 1HD2 ASN 64 5.831 7.000 -8.318 466 HD22 ASN 64 2HD2 ASN 64 5.108 5.498 -8.773 467 H GLY 65 H GLY 65 8.011 10.289 -9.319 468 HA2 GLY 65 1HA GLY 65 9.809 11.877 -9.845 469 HA3 GLY 65 2HA GLY 65 9.807 11.217 -11.474 470 H ASP 66 H ASP 66 6.770 11.126 -11.294 471 HA ASP 66 HA ASP 66 6.376 13.852 -12.246 472 HB2 ASP 66 1HB ASP 66 5.593 11.688 -13.447 473 HB3 ASP 66 2HB ASP 66 4.275 11.704 -12.278 474 H GLY 67 H GLY 67 5.057 11.623 -9.826 475 HA2 GLY 67 1HA GLY 67 4.629 13.394 -7.805 476 HA3 GLY 67 2HA GLY 67 3.196 13.568 -8.807 477 H THR 68 H THR 68 4.967 10.570 -8.320 478 HA THR 68 HA THR 68 3.016 9.585 -6.413 479 HB THR 68 HB THR 68 2.326 7.669 -7.738 480 HG1 THR 68 1HG THR 68 3.771 7.180 -9.236 481 HG21 THR 68 1HG2 THR 68 0.821 8.751 -9.210 482 HG22 THR 68 2HG2 THR 68 1.920 10.109 -9.456 483 HG23 THR 68 3HG2 THR 68 1.112 9.895 -7.902 484 H HIS 69 H HIS 69 3.497 7.088 -6.094 485 HA HIS 69 HA HIS 69 6.353 6.528 -6.340 486 HB2 HIS 69 1HB HIS 69 4.943 6.315 -3.675 487 HB3 HIS 69 2HB HIS 69 6.657 6.069 -4.002 488 HD1 HIS 69 1HD HIS 69 8.079 8.003 -3.437 489 HD2 HIS 69 2HD HIS 69 4.182 9.158 -4.298 490 HE1 HIS 69 1HE HIS 69 8.013 10.487 -3.049 491 HE2 HIS 69 2HE HIS 69 5.623 11.150 -3.494 492 H THR 70 H THR 70 6.651 4.502 -6.979 493 HA THR 70 HA THR 70 4.419 2.661 -7.012 494 HB THR 70 HB THR 70 7.232 2.447 -8.091 495 HG1 THR 70 1HG THR 70 5.434 2.201 -9.976 496 HG21 THR 70 1HG2 THR 70 4.975 0.471 -8.437 497 HG22 THR 70 2HG2 THR 70 6.360 0.234 -7.371 498 HG23 THR 70 3HG2 THR 70 6.600 0.355 -9.113 499 H VAL 71 H VAL 71 4.208 0.803 -5.854 500 HA VAL 71 HA VAL 71 6.352 0.120 -3.958 501 HB VAL 71 HB VAL 71 3.402 0.206 -3.307 502 HG11 VAL 71 1HG1 VAL 71 4.402 -0.209 -0.949 503 HG12 VAL 71 2HG1 VAL 71 4.197 -1.572 -2.053 504 HG13 VAL 71 3HG1 VAL 71 5.789 -0.841 -1.838 505 HG21 VAL 71 1HG2 VAL 71 4.472 2.423 -3.410 506 HG22 VAL 71 2HG2 VAL 71 3.970 1.996 -1.774 507 HG23 VAL 71 3HG2 VAL 71 5.669 1.883 -2.232 508 H THR 72 H THR 72 7.057 -1.786 -4.690 509 HA THR 72 HA THR 72 5.137 -3.755 -5.690 510 HB THR 72 HB THR 72 7.110 -5.014 -6.467 511 HG1 THR 72 1HG THR 72 8.871 -4.566 -5.364 512 HG21 THR 72 1HG2 THR 72 7.859 -3.411 -8.182 513 HG22 THR 72 2HG2 THR 72 7.109 -2.102 -7.269 514 HG23 THR 72 3HG2 THR 72 6.109 -3.377 -7.966 515 H TYR 73 H TYR 73 4.986 -5.846 -4.862 516 HA TYR 73 HA TYR 73 6.564 -6.750 -2.663 517 HB2 TYR 73 1HB TYR 73 5.096 -6.541 -0.872 518 HB3 TYR 73 2HB TYR 73 4.877 -5.007 -1.709 519 HD1 TYR 73 1HD TYR 73 2.825 -4.553 -2.960 520 HD2 TYR 73 2HD TYR 73 3.336 -8.193 -0.817 521 HE1 TYR 73 1HE TYR 73 0.409 -4.982 -3.125 522 HE2 TYR 73 2HE TYR 73 0.921 -8.633 -0.977 523 HH TYR 73 HH TYR 73 -1.310 -6.246 -2.099 524 H THR 74 H THR 74 5.750 -8.849 -1.804 525 HA THR 74 HA THR 74 3.902 -10.233 -3.605 526 HB THR 74 HB THR 74 6.678 -11.248 -2.961 527 HG1 THR 74 1HG THR 74 5.858 -9.658 -4.884 528 HG21 THR 74 1HG2 THR 74 6.021 -13.302 -3.543 529 HG22 THR 74 2HG2 THR 74 5.205 -12.699 -4.986 530 HG23 THR 74 3HG2 THR 74 4.360 -12.719 -3.438 531 HA PRO 75 HA PRO 75 2.636 -11.511 0.504 532 HB2 PRO 75 1HB PRO 75 0.343 -12.711 -0.316 533 HB3 PRO 75 2HB PRO 75 0.498 -10.961 -0.129 534 HG2 PRO 75 1HG PRO 75 0.665 -12.621 -2.614 535 HG3 PRO 75 2HG PRO 75 -0.160 -11.074 -2.357 536 HD2 PRO 75 1HD PRO 75 2.255 -11.253 -3.568 537 HD3 PRO 75 2HD PRO 75 1.785 -9.856 -2.579 538 H SER 76 H SER 76 4.127 -13.088 1.018 539 HA SER 76 HA SER 76 4.898 -15.356 -0.151 540 HB2 SER 76 1HB SER 76 5.623 -14.662 2.108 541 HB3 SER 76 2HB SER 76 4.081 -15.217 2.762 542 HG SER 76 HG SER 76 4.650 -17.279 2.400 543 H GLN 77 H GLN 77 2.014 -15.278 1.949 544 HA GLN 77 HA GLN 77 0.880 -17.444 0.314 545 HB2 GLN 77 1HB GLN 77 0.020 -18.546 2.269 546 HB3 GLN 77 2HB GLN 77 1.748 -18.306 2.487 547 HG2 GLN 77 1HG GLN 77 1.107 -16.195 3.775 548 HG3 GLN 77 2HG GLN 77 -0.522 -16.868 3.806 549 HE21 GLN 77 1HE2 GLN 77 -0.534 -17.118 6.022 550 HE22 GLN 77 2HE2 GLN 77 0.410 -18.316 6.831 551 H GLU 78 H GLU 78 -1.523 -17.657 0.648 552 HA GLU 78 HA GLU 78 -2.727 -15.081 0.284 553 HB2 GLU 78 1HB GLU 78 -4.794 -16.332 -0.113 554 HB3 GLU 78 2HB GLU 78 -3.457 -17.004 -1.036 555 HG2 GLU 78 1HG GLU 78 -4.102 -18.161 1.630 556 HG3 GLU 78 2HG GLU 78 -5.118 -18.559 0.245 557 H GLY 79 H GLY 79 -4.925 -14.683 1.408 558 HA2 GLY 79 1HA GLY 79 -6.094 -15.257 3.577 559 HA3 GLY 79 2HA GLY 79 -4.505 -15.076 4.304 560 HA PRO 80 HA PRO 80 -6.914 -11.012 4.289 561 HB2 PRO 80 1HB PRO 80 -7.212 -10.793 6.979 562 HB3 PRO 80 2HB PRO 80 -8.393 -11.607 5.944 563 HG2 PRO 80 1HG PRO 80 -6.225 -12.789 7.638 564 HG3 PRO 80 2HG PRO 80 -7.902 -13.327 7.430 565 HD2 PRO 80 1HD PRO 80 -5.825 -14.500 6.147 566 HD3 PRO 80 2HD PRO 80 -7.447 -14.386 5.433 567 H TYR 81 H TYR 81 -4.952 -10.069 3.620 568 HA TYR 81 HA TYR 81 -2.857 -9.654 5.596 569 HB2 TYR 81 1HB TYR 81 -3.103 -9.311 2.649 570 HB3 TYR 81 2HB TYR 81 -1.951 -8.280 3.491 571 HD1 TYR 81 1HD TYR 81 -2.944 -11.890 3.578 572 HD2 TYR 81 2HD TYR 81 0.216 -9.044 3.469 573 HE1 TYR 81 1HE TYR 81 -1.303 -13.722 3.562 574 HE2 TYR 81 2HE TYR 81 1.867 -10.867 3.452 575 HH TYR 81 HH TYR 81 0.911 -14.208 3.099 576 H MET 82 H MET 82 -1.860 -7.343 5.518 577 HA MET 82 HA MET 82 -3.872 -5.248 5.341 578 HB2 MET 82 1HB MET 82 -4.052 -6.161 7.645 579 HB3 MET 82 2HB MET 82 -2.359 -5.768 7.905 580 HG2 MET 82 1HG MET 82 -2.755 -3.490 7.931 581 HG3 MET 82 2HG MET 82 -4.283 -3.645 7.066 582 HE1 MET 82 1HE MET 82 -2.741 -3.000 10.524 583 HE2 MET 82 2HE MET 82 -3.532 -4.199 11.549 584 HE3 MET 82 3HE MET 82 -2.421 -4.718 10.280 585 H VAL 83 H VAL 83 -2.953 -3.656 4.242 586 HA VAL 83 HA VAL 83 -0.044 -3.278 4.454 587 HB VAL 83 HB VAL 83 -1.951 -2.379 2.290 588 HG11 VAL 83 1HG1 VAL 83 -0.413 -0.881 1.720 589 HG12 VAL 83 2HG1 VAL 83 0.660 -1.433 3.007 590 HG13 VAL 83 3HG1 VAL 83 0.713 -2.204 1.422 591 HG21 VAL 83 1HG2 VAL 83 -1.434 -4.231 1.139 592 HG22 VAL 83 2HG2 VAL 83 0.266 -4.159 1.602 593 HG23 VAL 83 3HG2 VAL 83 -0.916 -4.878 2.695 594 H SER 84 H SER 84 0.252 -1.883 6.116 595 HA SER 84 HA SER 84 -1.458 0.429 6.449 596 HB2 SER 84 1HB SER 84 -0.761 -0.547 8.492 597 HB3 SER 84 2HB SER 84 0.920 -0.643 7.965 598 HG SER 84 HG SER 84 -0.549 1.712 8.559 599 H VAL 85 H VAL 85 -0.886 2.560 6.149 600 HA VAL 85 HA VAL 85 1.750 3.145 5.018 601 HB VAL 85 HB VAL 85 -0.860 3.889 3.689 602 HG11 VAL 85 1HG1 VAL 85 1.190 4.655 2.015 603 HG12 VAL 85 2HG1 VAL 85 0.213 5.729 3.018 604 HG13 VAL 85 3HG1 VAL 85 1.767 5.138 3.610 605 HG21 VAL 85 1HG2 VAL 85 0.363 2.719 1.739 606 HG22 VAL 85 2HG2 VAL 85 1.373 2.011 3.001 607 HG23 VAL 85 3HG2 VAL 85 -0.367 1.722 2.999 608 H LYS 86 H LYS 86 2.565 5.061 5.651 609 HA LYS 86 HA LYS 86 0.758 6.915 7.062 610 HB2 LYS 86 1HB LYS 86 2.588 5.492 8.360 611 HB3 LYS 86 2HB LYS 86 3.647 6.778 7.794 612 HG2 LYS 86 1HG LYS 86 2.517 8.410 9.013 613 HG3 LYS 86 2HG LYS 86 1.091 7.393 9.229 614 HD2 LYS 86 1HD LYS 86 2.613 5.840 10.565 615 HD3 LYS 86 2HD LYS 86 3.769 7.173 10.577 616 HE2 LYS 86 1HE LYS 86 2.018 8.611 11.586 617 HE3 LYS 86 2HE LYS 86 0.957 7.206 11.668 618 HZ1 LYS 86 1HZ LYS 86 2.686 7.993 13.602 619 HZ2 LYS 86 2HZ LYS 86 3.537 6.745 12.839 620 HZ3 LYS 86 3HZ LYS 86 1.995 6.453 13.473 621 H TYR 87 H TYR 87 1.841 9.148 7.298 622 HA TYR 87 HA TYR 87 3.638 9.900 5.173 623 HB2 TYR 87 1HB TYR 87 1.233 9.757 4.209 624 HB3 TYR 87 2HB TYR 87 0.944 11.232 5.127 625 HD1 TYR 87 1HD TYR 87 3.304 9.795 2.618 626 HD2 TYR 87 2HD TYR 87 1.414 13.285 4.151 627 HE1 TYR 87 1HE TYR 87 4.269 11.118 0.782 628 HE2 TYR 87 2HE TYR 87 2.371 14.616 2.319 629 HH TYR 87 HH TYR 87 4.200 13.103 -0.291 630 H ALA 88 H ALA 88 4.988 11.185 6.229 631 HA ALA 88 HA ALA 88 5.820 12.844 7.548 632 HB1 ALA 88 1HB ALA 88 3.851 14.000 6.124 633 HB2 ALA 88 2HB ALA 88 3.267 14.301 7.761 634 HB3 ALA 88 3HB ALA 88 4.865 14.869 7.277 635 H ASP 89 H ASP 89 4.614 10.515 8.784 636 HA ASP 89 HA ASP 89 4.318 9.765 10.921 637 HB2 ASP 89 1HB ASP 89 4.319 12.610 11.909 638 HB3 ASP 89 2HB ASP 89 4.791 11.149 12.773 639 H GLU 90 H GLU 90 2.153 10.510 9.126 640 HA GLU 90 HA GLU 90 0.024 10.658 11.125 641 HB2 GLU 90 1HB GLU 90 0.179 12.412 8.668 642 HB3 GLU 90 2HB GLU 90 -1.257 12.226 9.662 643 HG2 GLU 90 1HG GLU 90 0.262 12.982 11.602 644 HG3 GLU 90 2HG GLU 90 1.332 13.561 10.326 645 H GLU 91 H GLU 91 -0.833 8.688 10.861 646 HA GLU 91 HA GLU 91 -0.838 7.126 8.578 647 HB2 GLU 91 1HB GLU 91 -2.393 7.166 11.098 648 HB3 GLU 91 2HB GLU 91 -3.096 6.256 9.769 649 HG2 GLU 91 1HG GLU 91 -1.299 4.770 9.679 650 HG3 GLU 91 2HG GLU 91 -0.252 5.842 10.608 651 H ILE 92 H ILE 92 -1.566 7.758 6.650 652 HA ILE 92 HA ILE 92 -3.378 9.693 6.015 653 HB ILE 92 HB ILE 92 -3.746 8.553 3.871 654 HG12 ILE 92 1HG1 ILE 92 -2.106 6.284 5.010 655 HG13 ILE 92 2HG1 ILE 92 -3.861 6.246 4.884 656 HG21 ILE 92 1HG2 ILE 92 -1.776 9.829 3.953 657 HG22 ILE 92 2HG2 ILE 92 -0.951 8.643 4.964 658 HG23 ILE 92 3HG2 ILE 92 -1.286 8.278 3.272 659 HD11 ILE 92 1HD1 ILE 92 -1.819 5.852 2.838 660 HD12 ILE 92 2HD1 ILE 92 -3.486 5.279 2.912 661 HD13 ILE 92 3HD1 ILE 92 -3.139 6.913 2.349 662 HA PRO 93 HA PRO 93 -7.407 8.346 7.127 663 HB2 PRO 93 1HB PRO 93 -8.891 9.502 5.170 664 HB3 PRO 93 2HB PRO 93 -8.144 10.423 6.480 665 HG2 PRO 93 1HG PRO 93 -7.201 10.027 3.667 666 HG3 PRO 93 2HG PRO 93 -7.216 11.507 4.643 667 HD2 PRO 93 1HD PRO 93 -4.981 10.024 4.282 668 HD3 PRO 93 2HD PRO 93 -5.294 10.931 5.775 669 H ARG 94 H ARG 94 -5.773 7.070 4.587 670 HA ARG 94 HA ARG 94 -8.041 5.393 3.738 671 HB2 ARG 94 1HB ARG 94 -5.466 5.997 2.271 672 HB3 ARG 94 2HB ARG 94 -6.737 4.928 1.693 673 HG2 ARG 94 1HG ARG 94 -7.366 7.769 2.363 674 HG3 ARG 94 2HG ARG 94 -6.610 7.361 0.822 675 HD2 ARG 94 1HD ARG 94 -9.091 5.974 1.789 676 HD3 ARG 94 2HD ARG 94 -9.165 7.493 0.898 677 HE ARG 94 HE ARG 94 -7.575 5.563 -0.459 678 HH11 ARG 94 1HH1 ARG 94 -10.864 6.492 0.204 679 HH12 ARG 94 2HH1 ARG 94 -11.495 5.778 -1.242 680 HH21 ARG 94 1HH2 ARG 94 -8.394 4.620 -2.367 681 HH22 ARG 94 2HH2 ARG 94 -10.089 4.712 -2.704 682 H SER 95 H SER 95 -5.370 5.409 5.677 683 HA SER 95 HA SER 95 -4.899 2.524 5.317 684 HB2 SER 95 1HB SER 95 -2.771 3.328 5.103 685 HB3 SER 95 2HB SER 95 -3.116 4.789 6.029 686 HG SER 95 HG SER 95 -2.676 3.760 7.858 687 HA PRO 96 HA PRO 96 -3.491 1.128 6.639 688 HB2 PRO 96 1HB PRO 96 -4.433 -1.277 7.475 689 HB3 PRO 96 2HB PRO 96 -3.324 -0.292 8.437 690 HG2 PRO 96 1HG PRO 96 -6.296 -0.567 8.663 691 HG3 PRO 96 2HG PRO 96 -5.076 -0.525 9.949 692 HD2 PRO 96 1HD PRO 96 -6.574 1.632 9.292 693 HD3 PRO 96 2HD PRO 96 -4.907 1.773 9.887 694 H PHE 97 H PHE 97 -3.909 -0.919 5.233 695 HA PHE 97 HA PHE 97 -6.461 -0.557 3.805 696 HB2 PHE 97 1HB PHE 97 -3.703 -1.103 2.703 697 HB3 PHE 97 2HB PHE 97 -5.172 -1.287 1.751 698 HD1 PHE 97 1HD PHE 97 -6.524 0.672 1.164 699 HD2 PHE 97 2HD PHE 97 -2.816 1.049 3.220 700 HE1 PHE 97 1HE PHE 97 -6.454 3.065 0.593 701 HE2 PHE 97 2HE PHE 97 -2.740 3.442 2.653 702 HZ PHE 97 HZ PHE 97 -4.562 4.453 1.339 703 H LYS 98 H LYS 98 -7.727 -2.264 4.057 704 HA LYS 98 HA LYS 98 -6.695 -4.822 4.859 705 HB2 LYS 98 1HB LYS 98 -9.066 -5.527 4.808 706 HB3 LYS 98 2HB LYS 98 -8.816 -4.066 5.755 707 HG2 LYS 98 1HG LYS 98 -9.417 -2.905 3.458 708 HG3 LYS 98 2HG LYS 98 -10.238 -4.443 3.180 709 HD2 LYS 98 1HD LYS 98 -10.632 -2.885 5.717 710 HD3 LYS 98 2HD LYS 98 -11.576 -2.540 4.265 711 HE2 LYS 98 1HE LYS 98 -12.879 -4.041 5.534 712 HE3 LYS 98 2HE LYS 98 -12.173 -5.001 4.236 713 HZ1 LYS 98 1HZ LYS 98 -10.423 -5.035 6.423 714 HZ2 LYS 98 2HZ LYS 98 -11.277 -6.326 5.743 715 HZ3 LYS 98 3HZ LYS 98 -11.970 -5.417 6.989 716 H VAL 99 H VAL 99 -5.640 -5.992 3.377 717 HA VAL 99 HA VAL 99 -6.890 -6.312 0.726 718 HB VAL 99 HB VAL 99 -3.965 -6.460 1.462 719 HG11 VAL 99 1HG1 VAL 99 -3.888 -6.595 -1.179 720 HG12 VAL 99 2HG1 VAL 99 -4.028 -8.043 -0.181 721 HG13 VAL 99 3HG1 VAL 99 -5.461 -7.355 -0.944 722 HG21 VAL 99 1HG2 VAL 99 -4.905 -4.663 -0.668 723 HG22 VAL 99 2HG2 VAL 99 -5.434 -4.241 0.961 724 HG23 VAL 99 3HG2 VAL 99 -3.713 -4.391 0.604 725 H LYS 100 H LYS 100 -7.975 -8.181 0.768 726 HA LYS 100 HA LYS 100 -6.987 -10.453 2.274 727 HB2 LYS 100 1HB LYS 100 -9.371 -10.001 2.323 728 HB3 LYS 100 2HB LYS 100 -9.455 -10.085 0.568 729 HG2 LYS 100 1HG LYS 100 -8.674 -12.481 0.776 730 HG3 LYS 100 2HG LYS 100 -8.971 -12.324 2.509 731 HD2 LYS 100 1HD LYS 100 -11.315 -11.500 1.793 732 HD3 LYS 100 2HD LYS 100 -10.927 -12.242 0.239 733 HE2 LYS 100 1HE LYS 100 -10.284 -14.297 1.730 734 HE3 LYS 100 2HE LYS 100 -11.339 -13.516 2.907 735 HZ1 LYS 100 1HZ LYS 100 -12.775 -14.886 1.766 736 HZ2 LYS 100 2HZ LYS 100 -12.019 -14.642 0.273 737 HZ3 LYS 100 3HZ LYS 100 -12.983 -13.423 0.942 738 H VAL 101 H VAL 101 -5.189 -11.255 1.276 739 HA VAL 101 HA VAL 101 -4.851 -11.535 -1.506 740 HB VAL 101 HB VAL 101 -3.527 -13.151 0.676 741 HG11 VAL 101 1HG1 VAL 101 -1.710 -13.409 -0.969 742 HG12 VAL 101 2HG1 VAL 101 -3.221 -14.137 -1.517 743 HG13 VAL 101 3HG1 VAL 101 -2.703 -12.582 -2.169 744 HG21 VAL 101 1HG2 VAL 101 -3.439 -10.416 0.343 745 HG22 VAL 101 2HG2 VAL 101 -2.247 -11.396 1.197 746 HG23 VAL 101 3HG2 VAL 101 -1.993 -10.976 -0.497 747 H LEU 102 H LEU 102 -5.019 -13.327 -2.860 748 HA LEU 102 HA LEU 102 -6.800 -15.454 -1.868 749 HB2 LEU 102 1HB LEU 102 -6.531 -14.183 -4.578 750 HB3 LEU 102 2HB LEU 102 -7.355 -15.723 -4.339 751 HG LEU 102 HG LEU 102 -8.185 -13.224 -2.887 752 HD11 LEU 102 1HD1 LEU 102 -9.579 -12.573 -4.590 753 HD12 LEU 102 2HD1 LEU 102 -9.598 -14.171 -5.335 754 HD13 LEU 102 3HD1 LEU 102 -8.178 -13.138 -5.501 755 HD21 LEU 102 1HD2 LEU 102 -9.841 -15.610 -3.654 756 HD22 LEU 102 2HD2 LEU 102 -10.175 -14.381 -2.434 757 HD23 LEU 102 3HD2 LEU 102 -8.898 -15.566 -2.164 758 HA PRO 103 HA PRO 103 -3.764 -18.499 -2.753 759 HB2 PRO 103 1HB PRO 103 -5.323 -20.590 -3.506 760 HB3 PRO 103 2HB PRO 103 -5.206 -20.032 -1.833 761 HG2 PRO 103 1HG PRO 103 -7.320 -19.466 -3.876 762 HG3 PRO 103 2HG PRO 103 -7.502 -19.864 -2.157 763 HD2 PRO 103 1HD PRO 103 -7.676 -17.328 -3.092 764 HD3 PRO 103 2HD PRO 103 -7.039 -17.709 -1.480 765 H THR 104 H THR 104 -2.437 -18.577 -4.444 766 HA THR 104 HA THR 104 -2.739 -17.721 -6.954 767 HB THR 104 HB THR 104 -1.217 -20.218 -6.185 768 HG1 THR 104 1HG THR 104 0.544 -18.585 -6.281 769 HG21 THR 104 1HG2 THR 104 -0.855 -18.452 -8.608 770 HG22 THR 104 2HG2 THR 104 -1.618 -20.043 -8.626 771 HG23 THR 104 3HG2 THR 104 0.085 -19.885 -8.197 772 H TYR 105 H TYR 105 -3.973 -20.757 -5.729 773 HA TYR 105 HA TYR 105 -4.978 -21.464 -8.393 774 HB2 TYR 105 1HB TYR 105 -4.496 -23.016 -5.875 775 HB3 TYR 105 2HB TYR 105 -5.652 -23.617 -7.059 776 HD1 TYR 105 1HD TYR 105 -2.126 -22.427 -6.786 777 HD2 TYR 105 2HD TYR 105 -4.900 -24.932 -8.820 778 HE1 TYR 105 1HE TYR 105 -0.280 -23.416 -8.074 779 HE2 TYR 105 2HE TYR 105 -3.061 -25.928 -10.113 780 HH TYR 105 HH TYR 105 0.041 -24.589 -10.228 781 H ASP 106 H ASP 106 -7.187 -22.100 -8.662 782 HA ASP 106 HA ASP 106 -9.009 -20.969 -6.643 783 HB2 ASP 106 1HB ASP 106 -8.630 -19.727 -8.953 784 HB3 ASP 106 2HB ASP 106 -9.772 -20.939 -9.530 785 H ALA 107 H ALA 107 -8.188 -23.688 -6.828 786 HA ALA 107 HA ALA 107 -10.263 -25.181 -8.155 787 HB1 ALA 107 1HB ALA 107 -8.914 -26.937 -7.875 788 HB2 ALA 107 2HB ALA 107 -7.716 -25.771 -7.311 789 HB3 ALA 107 3HB ALA 107 -8.727 -26.630 -6.149 790 H SER 108 H SER 108 -11.422 -23.354 -6.435 791 HA SER 108 HA SER 108 -12.269 -24.923 -4.105 792 HB2 SER 108 1HB SER 108 -11.456 -22.504 -3.885 793 HB3 SER 108 2HB SER 108 -12.976 -22.041 -4.651 794 HG SER 108 HG SER 108 -13.938 -22.354 -2.819 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -9.330 29.700 -10.110 2 HA2 GLY 1 1HA GLY 1 -7.511 28.857 -11.872 3 HA3 GLY 1 2HA GLY 1 -7.913 30.431 -12.542 4 H SER 2 H SER 2 -6.482 28.744 -9.830 5 HA SER 2 HA SER 2 -4.956 31.161 -9.204 6 HB2 SER 2 1HB SER 2 -5.275 30.699 -6.748 7 HB3 SER 2 2HB SER 2 -6.729 31.248 -7.582 8 HG SER 2 HG SER 2 -6.407 28.523 -7.586 9 H SER 3 H SER 3 -3.176 30.603 -7.564 10 HA SER 3 HA SER 3 -1.926 28.111 -8.466 11 HB2 SER 3 1HB SER 3 -0.727 30.545 -7.122 12 HB3 SER 3 2HB SER 3 0.181 29.122 -7.629 13 HG SER 3 HG SER 3 0.327 30.633 -9.253 14 H GLY 4 H GLY 4 -1.096 26.592 -7.045 15 HA2 GLY 4 1HA GLY 4 -2.432 26.446 -4.496 16 HA3 GLY 4 2HA GLY 4 -1.356 25.238 -5.182 17 H SER 5 H SER 5 -1.296 25.927 -2.488 18 HA SER 5 HA SER 5 1.031 27.670 -2.173 19 HB2 SER 5 1HB SER 5 -0.848 26.432 -0.152 20 HB3 SER 5 2HB SER 5 0.556 27.406 0.281 21 HG SER 5 HG SER 5 -0.400 29.109 -0.980 22 H SER 6 H SER 6 2.940 26.996 -1.177 23 HA SER 6 HA SER 6 3.290 24.077 -0.972 24 HB2 SER 6 1HB SER 6 4.396 24.857 -2.992 25 HB3 SER 6 2HB SER 6 5.237 26.113 -2.084 26 HG SER 6 HG SER 6 5.845 23.470 -2.377 27 H GLY 7 H GLY 7 3.623 23.548 1.080 28 HA2 GLY 7 1HA GLY 7 5.749 24.146 2.639 29 HA3 GLY 7 2HA GLY 7 4.648 25.474 2.978 30 H VAL 8 H VAL 8 2.214 24.092 2.872 31 HA VAL 8 HA VAL 8 2.311 22.758 5.442 32 HB VAL 8 HB VAL 8 0.527 24.333 5.139 33 HG11 VAL 8 1HG1 VAL 8 -1.290 23.677 3.400 34 HG12 VAL 8 2HG1 VAL 8 0.153 24.540 2.866 35 HG13 VAL 8 3HG1 VAL 8 0.025 22.798 2.623 36 HG21 VAL 8 1HG2 VAL 8 -1.307 22.159 4.935 37 HG22 VAL 8 2HG2 VAL 8 0.120 21.619 5.820 38 HG23 VAL 8 3HG2 VAL 8 -0.781 23.031 6.375 39 H VAL 9 H VAL 9 1.926 20.635 5.839 40 HA VAL 9 HA VAL 9 1.781 18.873 3.492 41 HB VAL 9 HB VAL 9 2.766 18.382 6.298 42 HG11 VAL 9 1HG1 VAL 9 1.659 16.379 5.796 43 HG12 VAL 9 2HG1 VAL 9 2.151 16.429 4.102 44 HG13 VAL 9 3HG1 VAL 9 3.340 16.076 5.357 45 HG21 VAL 9 1HG2 VAL 9 4.523 19.332 5.160 46 HG22 VAL 9 2HG2 VAL 9 4.789 17.624 4.813 47 HG23 VAL 9 3HG2 VAL 9 4.024 18.659 3.607 48 H ASP 10 H ASP 10 0.058 17.622 3.137 49 HA ASP 10 HA ASP 10 -1.881 17.254 5.322 50 HB2 ASP 10 1HB ASP 10 -2.455 18.952 3.395 51 HB3 ASP 10 2HB ASP 10 -2.820 17.486 2.490 52 HA PRO 11 HA PRO 11 -0.798 13.069 3.931 53 HB2 PRO 11 1HB PRO 11 -1.529 11.884 6.263 54 HB3 PRO 11 2HB PRO 11 0.039 12.667 6.033 55 HG2 PRO 11 1HG PRO 11 -2.429 13.721 7.361 56 HG3 PRO 11 2HG PRO 11 -0.737 13.848 7.880 57 HD2 PRO 11 1HD PRO 11 -2.039 15.878 6.647 58 HD3 PRO 11 2HD PRO 11 -0.297 15.598 6.446 59 H SER 12 H SER 12 -3.666 14.652 4.476 60 HA SER 12 HA SER 12 -5.326 12.255 4.172 61 HB2 SER 12 1HB SER 12 -7.229 13.857 4.565 62 HB3 SER 12 2HB SER 12 -6.096 13.728 5.910 63 HG SER 12 HG SER 12 -5.605 15.692 3.993 64 H LYS 13 H LYS 13 -3.632 13.969 2.143 65 HA LYS 13 HA LYS 13 -5.757 14.174 0.110 66 HB2 LYS 13 1HB LYS 13 -3.092 15.600 0.110 67 HB3 LYS 13 2HB LYS 13 -4.419 15.842 -1.019 68 HG2 LYS 13 1HG LYS 13 -4.802 16.318 1.910 69 HG3 LYS 13 2HG LYS 13 -4.064 17.546 0.877 70 HD2 LYS 13 1HD LYS 13 -6.251 18.176 0.701 71 HD3 LYS 13 2HD LYS 13 -6.177 17.019 -0.631 72 HE2 LYS 13 1HE LYS 13 -7.294 15.373 0.578 73 HE3 LYS 13 2HE LYS 13 -6.931 16.130 2.128 74 HZ1 LYS 13 1HZ LYS 13 -9.240 16.395 0.636 75 HZ2 LYS 13 2HZ LYS 13 -8.448 17.884 0.504 76 HZ3 LYS 13 3HZ LYS 13 -8.820 17.256 2.031 77 H VAL 14 H VAL 14 -3.118 12.383 1.096 78 HA VAL 14 HA VAL 14 -2.155 11.661 -1.535 79 HB VAL 14 HB VAL 14 -0.443 11.590 0.042 80 HG11 VAL 14 1HG1 VAL 14 -1.389 11.761 2.127 81 HG12 VAL 14 2HG1 VAL 14 -2.514 10.430 1.846 82 HG13 VAL 14 3HG1 VAL 14 -0.812 10.095 2.165 83 HG21 VAL 14 1HG2 VAL 14 0.361 9.417 -0.068 84 HG22 VAL 14 2HG2 VAL 14 -1.235 8.705 0.164 85 HG23 VAL 14 3HG2 VAL 14 -0.820 9.455 -1.378 86 H LYS 15 H LYS 15 -3.024 10.153 -2.783 87 HA LYS 15 HA LYS 15 -4.732 8.103 -1.530 88 HB2 LYS 15 1HB LYS 15 -4.997 9.595 -4.122 89 HB3 LYS 15 2HB LYS 15 -5.749 8.018 -3.922 90 HG2 LYS 15 1HG LYS 15 -6.728 9.101 -1.748 91 HG3 LYS 15 2HG LYS 15 -6.391 10.607 -2.604 92 HD2 LYS 15 1HD LYS 15 -7.631 9.484 -4.580 93 HD3 LYS 15 2HD LYS 15 -8.259 8.385 -3.350 94 HE2 LYS 15 1HE LYS 15 -9.332 10.138 -2.192 95 HE3 LYS 15 2HE LYS 15 -8.439 11.373 -3.077 96 HZ1 LYS 15 1HZ LYS 15 -10.099 9.569 -4.651 97 HZ2 LYS 15 2HZ LYS 15 -9.807 11.222 -4.852 98 HZ3 LYS 15 3HZ LYS 15 -10.912 10.694 -3.684 99 H ILE 16 H ILE 16 -4.975 6.137 -3.076 100 HA ILE 16 HA ILE 16 -2.520 5.522 -4.519 101 HB ILE 16 HB ILE 16 -2.089 3.466 -3.334 102 HG12 ILE 16 1HG1 ILE 16 -4.359 4.243 -1.491 103 HG13 ILE 16 2HG1 ILE 16 -4.444 2.981 -2.715 104 HG21 ILE 16 1HG2 ILE 16 -1.289 4.349 -1.229 105 HG22 ILE 16 2HG2 ILE 16 -1.053 5.540 -2.506 106 HG23 ILE 16 3HG2 ILE 16 -2.381 5.726 -1.361 107 HD11 ILE 16 1HD1 ILE 16 -3.005 3.009 -0.115 108 HD12 ILE 16 2HD1 ILE 16 -4.010 1.754 -0.839 109 HD13 ILE 16 3HD1 ILE 16 -2.374 2.028 -1.436 110 H ALA 17 H ALA 17 -2.810 4.105 -6.173 111 HA ALA 17 HA ALA 17 -5.303 2.581 -6.318 112 HB1 ALA 17 1HB ALA 17 -4.412 4.231 -8.665 113 HB2 ALA 17 2HB ALA 17 -5.955 3.414 -8.416 114 HB3 ALA 17 3HB ALA 17 -5.549 4.841 -7.463 115 H GLY 18 H GLY 18 -5.110 0.641 -7.333 116 HA2 GLY 18 1HA GLY 18 -3.468 -0.168 -9.342 117 HA3 GLY 18 2HA GLY 18 -2.440 -0.270 -7.921 118 HA PRO 19 HA PRO 19 -5.156 -4.123 -8.509 119 HB2 PRO 19 1HB PRO 19 -3.208 -5.833 -9.314 120 HB3 PRO 19 2HB PRO 19 -4.173 -4.877 -10.444 121 HG2 PRO 19 1HG PRO 19 -1.415 -4.360 -9.400 122 HG3 PRO 19 2HG PRO 19 -2.037 -4.188 -11.051 123 HD2 PRO 19 1HD PRO 19 -1.716 -2.076 -9.388 124 HD3 PRO 19 2HD PRO 19 -3.002 -2.142 -10.609 125 H GLY 20 H GLY 20 -2.032 -3.416 -7.104 126 HA2 GLY 20 1HA GLY 20 -1.714 -5.667 -5.469 127 HA3 GLY 20 2HA GLY 20 -1.049 -4.074 -5.138 128 H LEU 21 H LEU 21 -3.769 -2.875 -5.109 129 HA LEU 21 HA LEU 21 -4.428 -3.639 -2.361 130 HB2 LEU 21 1HB LEU 21 -5.462 -1.267 -3.892 131 HB3 LEU 21 2HB LEU 21 -5.492 -1.525 -2.149 132 HG LEU 21 HG LEU 21 -2.874 -1.317 -3.581 133 HD11 LEU 21 1HD1 LEU 21 -4.081 0.617 -4.358 134 HD12 LEU 21 2HD1 LEU 21 -2.906 1.115 -3.141 135 HD13 LEU 21 3HD1 LEU 21 -4.613 0.989 -2.717 136 HD21 LEU 21 1HD2 LEU 21 -2.555 -1.924 -1.370 137 HD22 LEU 21 2HD2 LEU 21 -3.904 -0.942 -0.796 138 HD23 LEU 21 3HD2 LEU 21 -2.403 -0.168 -1.307 139 H GLY 22 H GLY 22 -5.611 -3.870 -5.569 140 HA2 GLY 22 1HA GLY 22 -8.373 -3.932 -5.191 141 HA3 GLY 22 2HA GLY 22 -7.511 -4.812 -6.445 142 H SER 23 H SER 23 -9.779 -5.879 -5.363 143 HA SER 23 HA SER 23 -9.081 -7.723 -3.249 144 HB2 SER 23 1HB SER 23 -11.371 -6.681 -3.525 145 HB3 SER 23 2HB SER 23 -11.594 -7.724 -4.930 146 HG SER 23 HG SER 23 -10.936 -9.444 -3.284 147 H GLY 24 H GLY 24 -8.103 -7.672 -6.268 148 HA2 GLY 24 1HA GLY 24 -8.536 -10.553 -6.746 149 HA3 GLY 24 2HA GLY 24 -8.190 -9.375 -8.004 150 H VAL 25 H VAL 25 -6.656 -10.112 -4.874 151 HA VAL 25 HA VAL 25 -4.067 -10.177 -6.257 152 HB VAL 25 HB VAL 25 -4.745 -9.827 -3.336 153 HG11 VAL 25 1HG1 VAL 25 -2.016 -9.920 -4.619 154 HG12 VAL 25 2HG1 VAL 25 -2.367 -9.608 -2.917 155 HG13 VAL 25 3HG1 VAL 25 -2.713 -11.190 -3.615 156 HG21 VAL 25 1HG2 VAL 25 -5.115 -7.829 -4.612 157 HG22 VAL 25 2HG2 VAL 25 -3.630 -7.627 -3.681 158 HG23 VAL 25 3HG2 VAL 25 -3.547 -7.989 -5.406 159 H ARG 26 H ARG 26 -2.703 -11.917 -6.136 160 HA ARG 26 HA ARG 26 -3.795 -14.343 -4.865 161 HB2 ARG 26 1HB ARG 26 -2.124 -14.152 -7.378 162 HB3 ARG 26 2HB ARG 26 -2.693 -15.642 -6.639 163 HG2 ARG 26 1HG ARG 26 -5.039 -14.750 -6.971 164 HG3 ARG 26 2HG ARG 26 -4.312 -13.504 -7.987 165 HD2 ARG 26 1HD ARG 26 -3.381 -15.206 -9.448 166 HD3 ARG 26 2HD ARG 26 -4.024 -16.476 -8.408 167 HE ARG 26 HE ARG 26 -6.118 -16.126 -9.307 168 HH11 ARG 26 1HH1 ARG 26 -3.940 -13.613 -10.335 169 HH12 ARG 26 2HH1 ARG 26 -5.024 -12.982 -11.531 170 HH21 ARG 26 1HH2 ARG 26 -7.554 -15.306 -10.878 171 HH22 ARG 26 2HH2 ARG 26 -7.080 -13.946 -11.838 172 H ALA 27 H ALA 27 -2.313 -15.803 -3.927 173 HA ALA 27 HA ALA 27 -0.127 -14.570 -2.602 174 HB1 ALA 27 1HB ALA 27 -0.902 -17.478 -2.791 175 HB2 ALA 27 2HB ALA 27 0.306 -16.818 -1.688 176 HB3 ALA 27 3HB ALA 27 -1.385 -16.339 -1.534 177 H ARG 28 H ARG 28 2.099 -15.020 -2.765 178 HA ARG 28 HA ARG 28 4.057 -15.233 -3.907 179 HB2 ARG 28 1HB ARG 28 2.638 -17.610 -5.125 180 HB3 ARG 28 2HB ARG 28 4.373 -17.325 -5.155 181 HG2 ARG 28 1HG ARG 28 4.296 -17.362 -2.632 182 HG3 ARG 28 2HG ARG 28 2.641 -17.956 -2.784 183 HD2 ARG 28 1HD ARG 28 3.819 -19.927 -2.624 184 HD3 ARG 28 2HD ARG 28 3.722 -19.719 -4.372 185 HE ARG 28 HE ARG 28 6.094 -19.455 -2.707 186 HH11 ARG 28 1HH1 ARG 28 4.616 -19.081 -5.837 187 HH12 ARG 28 2HH1 ARG 28 6.124 -19.034 -6.689 188 HH21 ARG 28 1HH2 ARG 28 8.087 -19.395 -3.817 189 HH22 ARG 28 2HH2 ARG 28 8.097 -19.214 -5.539 190 H VAL 29 H VAL 29 2.246 -13.409 -5.013 191 HA VAL 29 HA VAL 29 2.956 -13.607 -7.865 192 HB VAL 29 HB VAL 29 0.335 -12.653 -6.711 193 HG11 VAL 29 1HG1 VAL 29 1.011 -11.098 -8.430 194 HG12 VAL 29 2HG1 VAL 29 1.375 -12.426 -9.533 195 HG13 VAL 29 3HG1 VAL 29 -0.290 -12.118 -9.041 196 HG21 VAL 29 1HG2 VAL 29 -0.227 -14.782 -7.068 197 HG22 VAL 29 2HG2 VAL 29 -0.147 -14.405 -8.789 198 HG23 VAL 29 3HG2 VAL 29 1.252 -15.104 -7.974 199 H LEU 30 H LEU 30 3.376 -11.634 -8.928 200 HA LEU 30 HA LEU 30 4.579 -9.647 -7.263 201 HB2 LEU 30 1HB LEU 30 5.424 -10.354 -9.504 202 HB3 LEU 30 2HB LEU 30 4.048 -9.522 -10.226 203 HG LEU 30 HG LEU 30 4.985 -7.441 -8.981 204 HD11 LEU 30 1HD1 LEU 30 7.502 -9.075 -9.212 205 HD12 LEU 30 2HD1 LEU 30 6.651 -8.779 -7.698 206 HD13 LEU 30 3HD1 LEU 30 7.341 -7.430 -8.599 207 HD21 LEU 30 1HD2 LEU 30 5.716 -8.700 -11.531 208 HD22 LEU 30 2HD2 LEU 30 6.825 -7.446 -10.976 209 HD23 LEU 30 3HD2 LEU 30 5.114 -7.076 -11.194 210 H GLN 31 H GLN 31 3.391 -8.225 -6.174 211 HA GLN 31 HA GLN 31 1.061 -7.028 -7.522 212 HB2 GLN 31 1HB GLN 31 1.512 -7.212 -4.543 213 HB3 GLN 31 2HB GLN 31 0.047 -6.696 -5.367 214 HG2 GLN 31 1HG GLN 31 1.208 -9.465 -5.537 215 HG3 GLN 31 2HG GLN 31 -0.075 -8.981 -4.430 216 HE21 GLN 31 1HE2 GLN 31 -0.550 -11.012 -6.126 217 HE22 GLN 31 2HE2 GLN 31 -1.647 -10.526 -7.370 218 H SER 32 H SER 32 1.120 -4.915 -7.926 219 HA SER 32 HA SER 32 2.803 -3.168 -6.297 220 HB2 SER 32 1HB SER 32 4.167 -3.922 -8.260 221 HB3 SER 32 2HB SER 32 2.970 -3.178 -9.320 222 HG SER 32 HG SER 32 3.480 -1.259 -7.787 223 H PHE 33 H PHE 33 2.195 -0.982 -6.337 224 HA PHE 33 HA PHE 33 -0.194 -0.280 -7.869 225 HB2 PHE 33 1HB PHE 33 -1.132 0.791 -5.751 226 HB3 PHE 33 2HB PHE 33 -1.208 -0.965 -5.844 227 HD1 PHE 33 1HD PHE 33 0.942 -2.172 -4.835 228 HD2 PHE 33 2HD PHE 33 -0.421 1.720 -3.783 229 HE1 PHE 33 1HE PHE 33 2.133 -2.338 -2.688 230 HE2 PHE 33 2HE PHE 33 0.768 1.561 -1.636 231 HZ PHE 33 HZ PHE 33 2.048 -0.469 -1.086 232 H THR 34 H THR 34 -0.744 2.168 -7.148 233 HA THR 34 HA THR 34 1.805 3.647 -7.240 234 HB THR 34 HB THR 34 -0.747 4.330 -8.715 235 HG1 THR 34 1HG THR 34 0.753 4.004 -10.548 236 HG21 THR 34 1HG2 THR 34 1.384 5.854 -9.686 237 HG22 THR 34 2HG2 THR 34 1.519 5.937 -7.930 238 HG23 THR 34 3HG2 THR 34 0.021 6.424 -8.723 239 H VAL 35 H VAL 35 2.003 5.404 -5.945 240 HA VAL 35 HA VAL 35 -0.331 6.110 -4.287 241 HB VAL 35 HB VAL 35 2.578 6.264 -3.486 242 HG11 VAL 35 1HG1 VAL 35 1.891 7.582 -1.839 243 HG12 VAL 35 2HG1 VAL 35 0.231 7.489 -2.432 244 HG13 VAL 35 3HG1 VAL 35 0.822 6.300 -1.272 245 HG21 VAL 35 1HG2 VAL 35 1.915 4.421 -1.898 246 HG22 VAL 35 2HG2 VAL 35 0.439 4.243 -2.848 247 HG23 VAL 35 3HG2 VAL 35 2.010 3.963 -3.599 248 H ASP 36 H ASP 36 -1.110 7.974 -5.048 249 HA ASP 36 HA ASP 36 0.665 9.999 -6.134 250 HB2 ASP 36 1HB ASP 36 -1.499 9.462 -7.235 251 HB3 ASP 36 2HB ASP 36 -2.341 10.061 -5.808 252 H SER 37 H SER 37 1.801 10.854 -4.431 253 HA SER 37 HA SER 37 0.259 11.999 -2.209 254 HB2 SER 37 1HB SER 37 2.294 12.018 -0.939 255 HB3 SER 37 2HB SER 37 2.186 10.440 -1.719 256 HG SER 37 HG SER 37 3.690 12.651 -2.673 257 H SER 38 H SER 38 0.701 13.087 -5.015 258 HA SER 38 HA SER 38 2.373 15.367 -4.802 259 HB2 SER 38 1HB SER 38 1.522 14.237 -6.939 260 HB3 SER 38 2HB SER 38 0.021 15.124 -6.675 261 HG SER 38 HG SER 38 1.393 17.050 -6.611 262 H LYS 39 H LYS 39 -1.021 14.772 -4.141 263 HA LYS 39 HA LYS 39 -1.608 17.566 -3.689 264 HB2 LYS 39 1HB LYS 39 -3.245 15.076 -3.182 265 HB3 LYS 39 2HB LYS 39 -3.837 16.720 -2.985 266 HG2 LYS 39 1HG LYS 39 -2.710 15.805 -5.602 267 HG3 LYS 39 2HG LYS 39 -4.381 15.449 -5.155 268 HD2 LYS 39 1HD LYS 39 -4.907 17.769 -4.975 269 HD3 LYS 39 2HD LYS 39 -3.207 18.225 -5.118 270 HE2 LYS 39 1HE LYS 39 -4.315 18.637 -7.215 271 HE3 LYS 39 2HE LYS 39 -3.195 17.291 -7.410 272 HZ1 LYS 39 1HZ LYS 39 -5.069 16.502 -8.440 273 HZ2 LYS 39 2HZ LYS 39 -6.134 17.267 -7.370 274 HZ3 LYS 39 3HZ LYS 39 -5.291 15.885 -6.880 275 H ALA 40 H ALA 40 -0.208 15.073 -1.912 276 HA ALA 40 HA ALA 40 -1.154 15.926 0.684 277 HB1 ALA 40 1HB ALA 40 -0.732 13.676 0.744 278 HB2 ALA 40 2HB ALA 40 0.673 13.798 -0.315 279 HB3 ALA 40 3HB ALA 40 0.793 14.300 1.370 280 H GLY 41 H GLY 41 1.785 16.233 -1.260 281 HA2 GLY 41 1HA GLY 41 2.774 18.566 -0.839 282 HA3 GLY 41 2HA GLY 41 2.923 17.989 0.814 283 H LEU 42 H LEU 42 5.151 18.125 0.888 284 HA LEU 42 HA LEU 42 6.630 16.397 -0.978 285 HB2 LEU 42 1HB LEU 42 8.091 18.235 0.812 286 HB3 LEU 42 2HB LEU 42 8.401 17.805 -0.868 287 HG LEU 42 HG LEU 42 7.885 20.091 -0.899 288 HD11 LEU 42 1HD1 LEU 42 5.839 18.233 -1.868 289 HD12 LEU 42 2HD1 LEU 42 6.694 19.525 -2.710 290 HD13 LEU 42 3HD1 LEU 42 5.295 19.902 -1.705 291 HD21 LEU 42 1HD2 LEU 42 5.274 20.180 0.290 292 HD22 LEU 42 2HD2 LEU 42 6.720 21.104 0.696 293 HD23 LEU 42 3HD2 LEU 42 6.443 19.528 1.438 294 H ALA 43 H ALA 43 5.156 15.869 1.701 295 HA ALA 43 HA ALA 43 7.220 15.007 3.490 296 HB1 ALA 43 1HB ALA 43 5.456 15.257 4.832 297 HB2 ALA 43 2HB ALA 43 4.315 15.134 3.493 298 HB3 ALA 43 3HB ALA 43 4.938 13.672 4.259 299 HA PRO 44 HA PRO 44 8.104 11.014 1.884 300 HB2 PRO 44 1HB PRO 44 8.698 9.678 4.171 301 HB3 PRO 44 2HB PRO 44 9.770 10.891 3.460 302 HG2 PRO 44 1HG PRO 44 7.830 11.169 5.723 303 HG3 PRO 44 2HG PRO 44 9.482 11.797 5.583 304 HD2 PRO 44 1HD PRO 44 7.297 13.340 5.160 305 HD3 PRO 44 2HD PRO 44 8.825 13.591 4.294 306 H LEU 45 H LEU 45 7.503 8.689 2.099 307 HA LEU 45 HA LEU 45 4.786 8.364 3.188 308 HB2 LEU 45 1HB LEU 45 4.552 8.505 0.831 309 HB3 LEU 45 2HB LEU 45 5.914 7.417 0.566 310 HG LEU 45 HG LEU 45 4.366 5.703 1.830 311 HD11 LEU 45 1HD1 LEU 45 2.635 7.386 2.338 312 HD12 LEU 45 2HD1 LEU 45 2.018 6.035 1.385 313 HD13 LEU 45 3HD1 LEU 45 2.350 7.583 0.609 314 HD21 LEU 45 1HD2 LEU 45 4.623 4.818 -0.190 315 HD22 LEU 45 2HD2 LEU 45 4.812 6.411 -0.924 316 HD23 LEU 45 3HD2 LEU 45 3.202 5.722 -0.711 317 H GLU 46 H GLU 46 4.346 6.495 4.267 318 HA GLU 46 HA GLU 46 6.601 4.629 4.609 319 HB2 GLU 46 1HB GLU 46 5.628 6.074 6.579 320 HB3 GLU 46 2HB GLU 46 4.378 4.838 6.599 321 HG2 GLU 46 1HG GLU 46 5.947 3.132 7.083 322 HG3 GLU 46 2HG GLU 46 7.309 4.206 6.768 323 H VAL 47 H VAL 47 6.242 2.434 4.520 324 HA VAL 47 HA VAL 47 3.519 1.528 3.889 325 HB VAL 47 HB VAL 47 5.996 0.827 2.307 326 HG11 VAL 47 1HG1 VAL 47 4.482 -1.106 2.716 327 HG12 VAL 47 2HG1 VAL 47 3.191 -0.205 1.918 328 HG13 VAL 47 3HG1 VAL 47 4.635 -0.664 1.015 329 HG21 VAL 47 1HG2 VAL 47 5.327 2.289 0.754 330 HG22 VAL 47 2HG2 VAL 47 3.641 1.788 0.883 331 HG23 VAL 47 3HG2 VAL 47 4.298 2.970 2.014 332 H ARG 48 H ARG 48 2.945 -0.283 4.922 333 HA ARG 48 HA ARG 48 5.014 -2.104 5.904 334 HB2 ARG 48 1HB ARG 48 4.594 -0.599 7.768 335 HB3 ARG 48 2HB ARG 48 2.862 -0.873 7.632 336 HG2 ARG 48 1HG ARG 48 2.962 -2.914 8.629 337 HG3 ARG 48 2HG ARG 48 4.599 -3.237 8.055 338 HD2 ARG 48 1HD ARG 48 4.006 -1.135 10.119 339 HD3 ARG 48 2HD ARG 48 4.296 -2.820 10.552 340 HE ARG 48 HE ARG 48 6.249 -0.885 9.785 341 HH11 ARG 48 1HH1 ARG 48 5.479 -4.280 9.715 342 HH12 ARG 48 2HH1 ARG 48 7.133 -4.787 9.631 343 HH21 ARG 48 1HH2 ARG 48 8.431 -1.541 9.674 344 HH22 ARG 48 2HH2 ARG 48 8.811 -3.228 9.609 345 H VAL 49 H VAL 49 4.381 -4.231 6.058 346 HA VAL 49 HA VAL 49 1.610 -4.836 5.258 347 HB VAL 49 HB VAL 49 4.081 -6.344 4.394 348 HG11 VAL 49 1HG1 VAL 49 2.477 -7.979 4.406 349 HG12 VAL 49 2HG1 VAL 49 1.158 -6.843 4.117 350 HG13 VAL 49 3HG1 VAL 49 2.228 -7.310 2.794 351 HG21 VAL 49 1HG2 VAL 49 2.409 -4.254 3.075 352 HG22 VAL 49 2HG2 VAL 49 4.160 -4.469 3.061 353 HG23 VAL 49 3HG2 VAL 49 3.134 -5.528 2.093 354 H LEU 50 H LEU 50 0.555 -6.284 6.476 355 HA LEU 50 HA LEU 50 2.117 -7.823 8.445 356 HB2 LEU 50 1HB LEU 50 -0.429 -6.291 8.714 357 HB3 LEU 50 2HB LEU 50 -0.163 -7.709 9.727 358 HG LEU 50 HG LEU 50 2.080 -6.487 10.319 359 HD11 LEU 50 1HD1 LEU 50 1.974 -4.107 10.262 360 HD12 LEU 50 2HD1 LEU 50 0.331 -4.138 9.622 361 HD13 LEU 50 3HD1 LEU 50 1.675 -4.695 8.625 362 HD21 LEU 50 1HD2 LEU 50 1.122 -6.073 12.311 363 HD22 LEU 50 2HD2 LEU 50 -0.276 -6.872 11.592 364 HD23 LEU 50 3HD2 LEU 50 -0.177 -5.111 11.604 365 H GLY 51 H GLY 51 1.426 -9.926 8.928 366 HA2 GLY 51 1HA GLY 51 -0.065 -11.185 6.759 367 HA3 GLY 51 2HA GLY 51 0.885 -12.010 7.985 368 HA PRO 52 HA PRO 52 -3.752 -12.196 8.900 369 HB2 PRO 52 1HB PRO 52 -4.068 -14.864 8.513 370 HB3 PRO 52 2HB PRO 52 -4.276 -13.675 7.222 371 HG2 PRO 52 1HG PRO 52 -1.915 -15.410 7.836 372 HG3 PRO 52 2HG PRO 52 -2.646 -15.031 6.265 373 HD2 PRO 52 1HD PRO 52 -0.406 -13.805 7.164 374 HD3 PRO 52 2HD PRO 52 -1.593 -12.986 6.128 375 H ARG 53 H ARG 53 -1.001 -14.241 9.707 376 HA ARG 53 HA ARG 53 -2.153 -14.669 12.383 377 HB2 ARG 53 1HB ARG 53 -0.138 -16.462 12.297 378 HB3 ARG 53 2HB ARG 53 -1.785 -16.825 11.797 379 HG2 ARG 53 1HG ARG 53 -0.309 -17.652 10.125 380 HG3 ARG 53 2HG ARG 53 -1.132 -16.237 9.465 381 HD2 ARG 53 1HD ARG 53 1.272 -16.261 8.934 382 HD3 ARG 53 2HD ARG 53 0.809 -14.861 9.901 383 HE ARG 53 HE ARG 53 2.200 -15.604 11.549 384 HH11 ARG 53 1HH1 ARG 53 1.485 -18.256 9.410 385 HH12 ARG 53 2HH1 ARG 53 2.597 -19.343 10.176 386 HH21 ARG 53 1HH2 ARG 53 3.667 -17.025 12.565 387 HH22 ARG 53 2HH2 ARG 53 3.837 -18.643 11.970 388 H GLY 54 H GLY 54 -0.152 -12.643 10.892 389 HA2 GLY 54 1HA GLY 54 1.105 -11.057 12.199 390 HA3 GLY 54 2HA GLY 54 1.551 -12.369 13.281 391 H LEU 55 H LEU 55 1.866 -11.461 9.848 392 HA LEU 55 HA LEU 55 4.617 -12.512 9.940 393 HB2 LEU 55 1HB LEU 55 3.067 -13.796 8.492 394 HB3 LEU 55 2HB LEU 55 2.801 -12.337 7.540 395 HG LEU 55 HG LEU 55 5.281 -12.365 7.041 396 HD11 LEU 55 1HD1 LEU 55 5.757 -15.109 7.288 397 HD12 LEU 55 2HD1 LEU 55 5.131 -14.591 8.853 398 HD13 LEU 55 3HD1 LEU 55 6.548 -13.798 8.164 399 HD21 LEU 55 1HD2 LEU 55 3.264 -14.317 6.064 400 HD22 LEU 55 2HD2 LEU 55 4.930 -14.496 5.517 401 HD23 LEU 55 3HD2 LEU 55 4.060 -12.991 5.217 402 H VAL 56 H VAL 56 6.253 -11.242 9.204 403 HA VAL 56 HA VAL 56 5.524 -8.501 8.414 404 HB VAL 56 HB VAL 56 8.098 -9.485 9.653 405 HG11 VAL 56 1HG1 VAL 56 8.540 -7.603 8.237 406 HG12 VAL 56 2HG1 VAL 56 7.165 -6.719 8.902 407 HG13 VAL 56 3HG1 VAL 56 8.572 -7.055 9.913 408 HG21 VAL 56 1HG2 VAL 56 7.391 -8.583 11.693 409 HG22 VAL 56 2HG2 VAL 56 6.081 -7.673 10.943 410 HG23 VAL 56 3HG2 VAL 56 5.969 -9.428 11.082 411 H GLU 57 H GLU 57 5.616 -8.279 6.272 412 HA GLU 57 HA GLU 57 7.837 -9.559 4.823 413 HB2 GLU 57 1HB GLU 57 5.054 -8.799 3.968 414 HB3 GLU 57 2HB GLU 57 6.327 -9.095 2.792 415 HG2 GLU 57 1HG GLU 57 5.309 -11.052 4.839 416 HG3 GLU 57 2HG GLU 57 4.963 -11.071 3.111 417 HA PRO 58 HA PRO 58 9.534 -5.587 3.980 418 HB2 PRO 58 1HB PRO 58 10.967 -6.199 1.756 419 HB3 PRO 58 2HB PRO 58 11.451 -6.702 3.380 420 HG2 PRO 58 1HG PRO 58 10.035 -8.266 1.256 421 HG3 PRO 58 2HG PRO 58 11.355 -8.773 2.325 422 HD2 PRO 58 1HD PRO 58 8.770 -9.434 2.788 423 HD3 PRO 58 2HD PRO 58 9.936 -9.164 4.099 424 H VAL 59 H VAL 59 9.694 -3.958 2.226 425 HA VAL 59 HA VAL 59 7.739 -4.286 0.073 426 HB VAL 59 HB VAL 59 6.774 -2.047 0.539 427 HG11 VAL 59 1HG1 VAL 59 6.315 -3.614 3.022 428 HG12 VAL 59 2HG1 VAL 59 5.153 -2.877 1.917 429 HG13 VAL 59 3HG1 VAL 59 5.961 -4.382 1.475 430 HG21 VAL 59 1HG2 VAL 59 7.791 -0.689 1.971 431 HG22 VAL 59 2HG2 VAL 59 7.331 -1.772 3.285 432 HG23 VAL 59 3HG2 VAL 59 8.883 -1.980 2.474 433 H ASN 60 H ASN 60 7.872 -2.515 -1.537 434 HA ASN 60 HA ASN 60 10.620 -1.465 -1.701 435 HB2 ASN 60 1HB ASN 60 10.106 -3.199 -3.391 436 HB3 ASN 60 2HB ASN 60 8.775 -2.210 -3.981 437 HD21 ASN 60 1HD2 ASN 60 9.195 -0.941 -5.631 438 HD22 ASN 60 2HD2 ASN 60 10.759 -0.389 -6.119 439 H VAL 61 H VAL 61 10.939 0.650 -2.269 440 HA VAL 61 HA VAL 61 8.554 2.293 -2.782 441 HB VAL 61 HB VAL 61 10.761 2.972 -0.833 442 HG11 VAL 61 1HG1 VAL 61 9.424 4.750 -2.391 443 HG12 VAL 61 2HG1 VAL 61 8.380 4.682 -0.971 444 HG13 VAL 61 3HG1 VAL 61 10.082 5.113 -0.796 445 HG21 VAL 61 1HG2 VAL 61 9.168 2.754 0.890 446 HG22 VAL 61 2HG2 VAL 61 7.826 2.669 -0.251 447 HG23 VAL 61 3HG2 VAL 61 8.961 1.325 -0.122 448 H VAL 62 H VAL 62 8.802 3.266 -4.673 449 HA VAL 62 HA VAL 62 11.403 4.448 -5.336 450 HB VAL 62 HB VAL 62 9.769 2.781 -7.256 451 HG11 VAL 62 1HG1 VAL 62 10.879 3.710 -8.946 452 HG12 VAL 62 2HG1 VAL 62 11.428 4.941 -7.807 453 HG13 VAL 62 3HG1 VAL 62 12.426 3.521 -8.121 454 HG21 VAL 62 1HG2 VAL 62 11.583 1.218 -7.231 455 HG22 VAL 62 2HG2 VAL 62 12.546 2.273 -6.197 456 HG23 VAL 62 3HG2 VAL 62 11.090 1.508 -5.563 457 H ASP 63 H ASP 63 11.190 6.508 -5.893 458 HA ASP 63 HA ASP 63 8.573 7.642 -6.307 459 HB2 ASP 63 1HB ASP 63 10.113 8.920 -4.985 460 HB3 ASP 63 2HB ASP 63 11.340 8.852 -6.246 461 H ASN 64 H ASN 64 7.654 8.235 -8.179 462 HA ASN 64 HA ASN 64 8.795 7.342 -10.639 463 HB2 ASN 64 1HB ASN 64 6.293 8.889 -9.964 464 HB3 ASN 64 2HB ASN 64 6.744 8.507 -11.624 465 HD21 ASN 64 1HD2 ASN 64 6.071 7.064 -8.479 466 HD22 ASN 64 2HD2 ASN 64 5.466 5.568 -9.094 467 H GLY 65 H GLY 65 8.281 10.502 -9.136 468 HA2 GLY 65 1HA GLY 65 10.021 12.186 -9.529 469 HA3 GLY 65 2HA GLY 65 10.049 11.656 -11.204 470 H ASP 66 H ASP 66 7.075 11.454 -11.233 471 HA ASP 66 HA ASP 66 6.580 14.207 -11.964 472 HB2 ASP 66 1HB ASP 66 4.329 13.277 -12.670 473 HB3 ASP 66 2HB ASP 66 5.730 12.592 -13.489 474 H GLY 67 H GLY 67 5.217 11.852 -9.673 475 HA2 GLY 67 1HA GLY 67 4.854 13.512 -7.536 476 HA3 GLY 67 2HA GLY 67 3.422 13.776 -8.518 477 H THR 68 H THR 68 5.055 10.690 -8.354 478 HA THR 68 HA THR 68 3.067 9.645 -6.488 479 HB THR 68 HB THR 68 2.437 7.795 -7.933 480 HG1 THR 68 1HG THR 68 4.397 7.745 -9.181 481 HG21 THR 68 1HG2 THR 68 0.959 8.941 -9.349 482 HG22 THR 68 2HG2 THR 68 2.089 10.274 -9.597 483 HG23 THR 68 3HG2 THR 68 1.276 10.085 -8.044 484 H HIS 69 H HIS 69 3.526 7.135 -6.264 485 HA HIS 69 HA HIS 69 6.372 6.537 -6.445 486 HB2 HIS 69 1HB HIS 69 4.933 6.308 -3.799 487 HB3 HIS 69 2HB HIS 69 6.648 6.056 -4.115 488 HD1 HIS 69 1HD HIS 69 8.058 7.961 -3.440 489 HD2 HIS 69 2HD HIS 69 4.217 9.177 -4.455 490 HE1 HIS 69 1HE HIS 69 8.009 10.442 -3.032 491 HE2 HIS 69 2HE HIS 69 5.649 11.142 -3.572 492 H THR 70 H THR 70 6.735 4.449 -6.890 493 HA THR 70 HA THR 70 4.429 2.664 -7.001 494 HB THR 70 HB THR 70 7.204 2.460 -8.169 495 HG1 THR 70 1HG THR 70 6.090 2.701 -10.103 496 HG21 THR 70 1HG2 THR 70 4.955 0.447 -8.304 497 HG22 THR 70 2HG2 THR 70 6.501 0.229 -7.482 498 HG23 THR 70 3HG2 THR 70 6.448 0.376 -9.239 499 H VAL 71 H VAL 71 4.278 0.734 -5.922 500 HA VAL 71 HA VAL 71 6.447 0.049 -4.057 501 HB VAL 71 HB VAL 71 3.507 0.070 -3.355 502 HG11 VAL 71 1HG1 VAL 71 3.977 -1.223 -1.607 503 HG12 VAL 71 2HG1 VAL 71 5.562 -1.509 -2.327 504 HG13 VAL 71 3HG1 VAL 71 5.346 -0.211 -1.151 505 HG21 VAL 71 1HG2 VAL 71 4.186 2.309 -3.304 506 HG22 VAL 71 2HG2 VAL 71 4.350 1.769 -1.632 507 HG23 VAL 71 3HG2 VAL 71 5.777 1.907 -2.659 508 H THR 72 H THR 72 7.159 -1.816 -4.898 509 HA THR 72 HA THR 72 5.246 -3.788 -5.895 510 HB THR 72 HB THR 72 7.307 -5.037 -6.616 511 HG1 THR 72 1HG THR 72 9.210 -3.500 -6.668 512 HG21 THR 72 1HG2 THR 72 5.980 -3.153 -7.916 513 HG22 THR 72 2HG2 THR 72 7.453 -3.861 -8.580 514 HG23 THR 72 3HG2 THR 72 7.515 -2.298 -7.767 515 H TYR 73 H TYR 73 4.925 -5.774 -4.992 516 HA TYR 73 HA TYR 73 6.592 -6.768 -2.869 517 HB2 TYR 73 1HB TYR 73 5.135 -6.585 -1.061 518 HB3 TYR 73 2HB TYR 73 4.946 -5.029 -1.862 519 HD1 TYR 73 2HD TYR 73 3.359 -8.272 -1.184 520 HD2 TYR 73 1HD TYR 73 2.878 -4.427 -2.941 521 HE1 TYR 73 2HE TYR 73 0.935 -8.654 -1.341 522 HE2 TYR 73 1HE TYR 73 0.452 -4.798 -3.102 523 HH TYR 73 HH TYR 73 -1.264 -6.114 -2.341 524 H THR 74 H THR 74 5.558 -8.820 -1.912 525 HA THR 74 HA THR 74 3.758 -10.176 -3.760 526 HB THR 74 HB THR 74 6.456 -11.357 -3.076 527 HG1 THR 74 1HG THR 74 5.498 -10.289 -5.543 528 HG21 THR 74 1HG2 THR 74 4.947 -12.476 -5.306 529 HG22 THR 74 2HG2 THR 74 4.111 -12.633 -3.761 530 HG23 THR 74 3HG2 THR 74 5.737 -13.288 -3.955 531 HA PRO 75 HA PRO 75 2.435 -11.472 0.317 532 HB2 PRO 75 1HB PRO 75 0.177 -12.711 -0.539 533 HB3 PRO 75 2HB PRO 75 0.303 -10.958 -0.367 534 HG2 PRO 75 1HG PRO 75 0.545 -12.642 -2.830 535 HG3 PRO 75 2HG PRO 75 -0.307 -11.102 -2.606 536 HD2 PRO 75 1HD PRO 75 2.136 -11.260 -3.765 537 HD3 PRO 75 2HD PRO 75 1.625 -9.860 -2.800 538 H SER 76 H SER 76 4.142 -12.979 0.635 539 HA SER 76 HA SER 76 4.784 -15.296 -0.506 540 HB2 SER 76 1HB SER 76 5.653 -14.379 1.701 541 HB3 SER 76 2HB SER 76 4.301 -15.203 2.476 542 HG SER 76 HG SER 76 6.612 -16.241 1.357 543 H GLN 77 H GLN 77 2.210 -15.172 1.964 544 HA GLN 77 HA GLN 77 0.964 -17.484 0.630 545 HB2 GLN 77 1HB GLN 77 0.181 -18.257 2.799 546 HB3 GLN 77 2HB GLN 77 1.932 -18.095 2.811 547 HG2 GLN 77 1HG GLN 77 1.412 -15.731 3.789 548 HG3 GLN 77 2HG GLN 77 -0.132 -16.470 4.211 549 HE21 GLN 77 1HE2 GLN 77 -0.175 -17.173 6.209 550 HE22 GLN 77 2HE2 GLN 77 1.146 -17.865 7.082 551 H GLU 78 H GLU 78 -1.373 -17.633 0.847 552 HA GLU 78 HA GLU 78 -2.615 -15.079 0.428 553 HB2 GLU 78 1HB GLU 78 -4.627 -16.351 -0.064 554 HB3 GLU 78 2HB GLU 78 -3.246 -17.064 -0.887 555 HG2 GLU 78 1HG GLU 78 -4.141 -18.103 1.768 556 HG3 GLU 78 2HG GLU 78 -4.946 -18.603 0.282 557 H GLY 79 H GLY 79 -4.879 -14.767 1.486 558 HA2 GLY 79 1HA GLY 79 -6.086 -15.343 3.622 559 HA3 GLY 79 2HA GLY 79 -4.523 -15.136 4.396 560 HA PRO 80 HA PRO 80 -6.983 -11.118 4.374 561 HB2 PRO 80 1HB PRO 80 -7.225 -10.882 7.068 562 HB3 PRO 80 2HB PRO 80 -8.409 -11.732 6.067 563 HG2 PRO 80 1HG PRO 80 -6.176 -12.848 7.719 564 HG3 PRO 80 2HG PRO 80 -7.844 -13.429 7.555 565 HD2 PRO 80 1HD PRO 80 -5.771 -14.563 6.233 566 HD3 PRO 80 2HD PRO 80 -7.410 -14.492 5.557 567 H TYR 81 H TYR 81 -4.902 -10.349 3.615 568 HA TYR 81 HA TYR 81 -2.835 -9.798 5.557 569 HB2 TYR 81 1HB TYR 81 -3.138 -9.527 2.612 570 HB3 TYR 81 2HB TYR 81 -1.998 -8.442 3.402 571 HD1 TYR 81 1HD TYR 81 -2.865 -12.046 3.907 572 HD2 TYR 81 2HD TYR 81 0.160 -9.177 3.061 573 HE1 TYR 81 1HE TYR 81 -1.177 -13.835 3.912 574 HE2 TYR 81 2HE TYR 81 1.856 -10.958 3.062 575 HH TYR 81 HH TYR 81 1.920 -13.441 2.691 576 H MET 82 H MET 82 -1.862 -7.483 5.433 577 HA MET 82 HA MET 82 -3.877 -5.399 5.231 578 HB2 MET 82 1HB MET 82 -4.147 -6.213 7.525 579 HB3 MET 82 2HB MET 82 -2.430 -5.980 7.821 580 HG2 MET 82 1HG MET 82 -2.613 -3.667 7.828 581 HG3 MET 82 2HG MET 82 -4.153 -3.692 6.973 582 HE1 MET 82 1HE MET 82 -2.271 -4.666 10.135 583 HE2 MET 82 2HE MET 82 -2.678 -2.979 10.454 584 HE3 MET 82 3HE MET 82 -3.390 -4.260 11.437 585 H VAL 83 H VAL 83 -2.969 -3.751 4.207 586 HA VAL 83 HA VAL 83 -0.055 -3.386 4.426 587 HB VAL 83 HB VAL 83 -1.942 -2.546 2.222 588 HG11 VAL 83 1HG1 VAL 83 0.506 -2.151 1.188 589 HG12 VAL 83 2HG1 VAL 83 -0.429 -0.883 1.983 590 HG13 VAL 83 3HG1 VAL 83 0.824 -1.747 2.876 591 HG21 VAL 83 1HG2 VAL 83 -0.643 -4.979 2.709 592 HG22 VAL 83 2HG2 VAL 83 -1.451 -4.473 1.225 593 HG23 VAL 83 3HG2 VAL 83 0.278 -4.191 1.428 594 H SER 84 H SER 84 0.205 -1.975 6.081 595 HA SER 84 HA SER 84 -1.523 0.321 6.386 596 HB2 SER 84 1HB SER 84 -0.806 -0.616 8.438 597 HB3 SER 84 2HB SER 84 0.872 -0.707 7.903 598 HG SER 84 HG SER 84 -0.338 1.808 7.990 599 H VAL 85 H VAL 85 -0.956 2.470 6.117 600 HA VAL 85 HA VAL 85 1.648 3.060 4.911 601 HB VAL 85 HB VAL 85 -1.017 3.739 3.674 602 HG11 VAL 85 1HG1 VAL 85 0.341 5.744 3.661 603 HG12 VAL 85 2HG1 VAL 85 1.708 4.844 2.998 604 HG13 VAL 85 3HG1 VAL 85 0.248 5.071 2.034 605 HG21 VAL 85 1HG2 VAL 85 1.415 2.336 2.570 606 HG22 VAL 85 2HG2 VAL 85 -0.073 1.549 3.099 607 HG23 VAL 85 3HG2 VAL 85 -0.096 2.634 1.709 608 H LYS 86 H LYS 86 2.470 5.021 5.448 609 HA LYS 86 HA LYS 86 0.732 6.854 6.962 610 HB2 LYS 86 1HB LYS 86 2.563 5.394 8.214 611 HB3 LYS 86 2HB LYS 86 3.630 6.669 7.639 612 HG2 LYS 86 1HG LYS 86 2.484 8.322 8.860 613 HG3 LYS 86 2HG LYS 86 1.115 7.252 9.171 614 HD2 LYS 86 1HD LYS 86 2.722 5.784 10.460 615 HD3 LYS 86 2HD LYS 86 3.889 7.102 10.333 616 HE2 LYS 86 1HE LYS 86 1.891 8.524 11.282 617 HE3 LYS 86 2HE LYS 86 1.338 6.956 11.870 618 HZ1 LYS 86 1HZ LYS 86 4.059 7.194 12.459 619 HZ2 LYS 86 2HZ LYS 86 2.759 7.130 13.538 620 HZ3 LYS 86 3HZ LYS 86 3.306 8.623 12.961 621 H TYR 87 H TYR 87 1.892 9.063 7.215 622 HA TYR 87 HA TYR 87 3.658 9.816 5.078 623 HB2 TYR 87 1HB TYR 87 1.178 9.694 4.191 624 HB3 TYR 87 2HB TYR 87 1.034 11.247 5.005 625 HD1 TYR 87 1HD TYR 87 2.997 9.427 2.429 626 HD2 TYR 87 2HD TYR 87 1.823 13.209 3.985 627 HE1 TYR 87 1HE TYR 87 3.998 10.535 0.475 628 HE2 TYR 87 2HE TYR 87 2.820 14.327 2.035 629 HH TYR 87 HH TYR 87 4.710 13.731 0.339 630 H ALA 88 H ALA 88 5.022 11.015 6.229 631 HA ALA 88 HA ALA 88 5.858 12.682 7.533 632 HB1 ALA 88 1HB ALA 88 3.230 14.088 7.583 633 HB2 ALA 88 2HB ALA 88 4.858 14.747 7.423 634 HB3 ALA 88 3HB ALA 88 4.097 13.937 6.054 635 H ASP 89 H ASP 89 4.778 10.391 8.800 636 HA ASP 89 HA ASP 89 4.384 9.631 10.910 637 HB2 ASP 89 1HB ASP 89 4.523 12.518 11.798 638 HB3 ASP 89 2HB ASP 89 4.753 11.083 12.794 639 H GLU 90 H GLU 90 2.232 10.321 9.135 640 HA GLU 90 HA GLU 90 0.103 10.541 11.120 641 HB2 GLU 90 1HB GLU 90 0.326 12.296 8.673 642 HB3 GLU 90 2HB GLU 90 -1.156 12.099 9.599 643 HG2 GLU 90 1HG GLU 90 0.356 12.813 11.606 644 HG3 GLU 90 2HG GLU 90 1.368 13.494 10.334 645 H GLU 91 H GLU 91 -0.778 8.579 10.867 646 HA GLU 91 HA GLU 91 -0.801 7.017 8.578 647 HB2 GLU 91 1HB GLU 91 -2.323 7.052 11.118 648 HB3 GLU 91 2HB GLU 91 -3.043 6.145 9.796 649 HG2 GLU 91 1HG GLU 91 -1.278 4.641 9.696 650 HG3 GLU 91 2HG GLU 91 -0.185 5.719 10.561 651 H ILE 92 H ILE 92 -1.610 7.537 6.660 652 HA ILE 92 HA ILE 92 -3.410 9.519 6.049 653 HB ILE 92 HB ILE 92 -3.826 8.354 3.919 654 HG12 ILE 92 1HG1 ILE 92 -2.159 6.118 5.089 655 HG13 ILE 92 2HG1 ILE 92 -3.908 6.056 4.899 656 HG21 ILE 92 1HG2 ILE 92 -1.301 8.016 3.363 657 HG22 ILE 92 2HG2 ILE 92 -1.904 9.616 3.796 658 HG23 ILE 92 3HG2 ILE 92 -1.058 8.639 4.996 659 HD11 ILE 92 1HD1 ILE 92 -3.553 5.179 2.899 660 HD12 ILE 92 2HD1 ILE 92 -2.951 6.757 2.390 661 HD13 ILE 92 3HD1 ILE 92 -1.828 5.534 2.981 662 HA PRO 93 HA PRO 93 -7.420 8.180 7.235 663 HB2 PRO 93 1HB PRO 93 -8.937 9.328 5.297 664 HB3 PRO 93 2HB PRO 93 -8.167 10.255 6.590 665 HG2 PRO 93 1HG PRO 93 -7.272 9.844 3.763 666 HG3 PRO 93 2HG PRO 93 -7.271 11.329 4.733 667 HD2 PRO 93 1HD PRO 93 -5.042 9.842 4.341 668 HD3 PRO 93 2HD PRO 93 -5.330 10.756 5.835 669 H ARG 94 H ARG 94 -5.834 6.901 4.661 670 HA ARG 94 HA ARG 94 -8.116 5.208 3.877 671 HB2 ARG 94 1HB ARG 94 -5.619 5.940 2.341 672 HB3 ARG 94 2HB ARG 94 -6.773 4.722 1.814 673 HG2 ARG 94 1HG ARG 94 -7.692 7.500 2.412 674 HG3 ARG 94 2HG ARG 94 -6.927 7.122 0.867 675 HD2 ARG 94 1HD ARG 94 -9.228 5.516 1.936 676 HD3 ARG 94 2HD ARG 94 -9.479 6.988 1.000 677 HE ARG 94 HE ARG 94 -7.754 5.419 -0.477 678 HH11 ARG 94 1HH1 ARG 94 -10.994 5.170 0.771 679 HH12 ARG 94 2HH1 ARG 94 -11.548 4.143 -0.509 680 HH21 ARG 94 1HH2 ARG 94 -8.471 4.067 -2.168 681 HH22 ARG 94 2HH2 ARG 94 -10.112 3.515 -2.181 682 H SER 95 H SER 95 -5.453 5.234 5.788 683 HA SER 95 HA SER 95 -4.924 2.363 5.384 684 HB2 SER 95 1HB SER 95 -2.816 3.220 5.140 685 HB3 SER 95 2HB SER 95 -3.169 4.649 6.111 686 HG SER 95 HG SER 95 -2.501 3.637 7.834 687 HA PRO 96 HA PRO 96 -3.498 0.963 6.663 688 HB2 PRO 96 1HB PRO 96 -4.413 -1.458 7.482 689 HB3 PRO 96 2HB PRO 96 -3.296 -0.479 8.440 690 HG2 PRO 96 1HG PRO 96 -6.262 -0.774 8.708 691 HG3 PRO 96 2HG PRO 96 -5.023 -0.741 9.975 692 HD2 PRO 96 1HD PRO 96 -6.544 1.416 9.368 693 HD3 PRO 96 2HD PRO 96 -4.868 1.558 9.940 694 H PHE 97 H PHE 97 -3.880 -0.985 5.174 695 HA PHE 97 HA PHE 97 -6.465 -0.637 3.802 696 HB2 PHE 97 1HB PHE 97 -3.716 -1.180 2.676 697 HB3 PHE 97 2HB PHE 97 -5.191 -1.359 1.732 698 HD1 PHE 97 1HD PHE 97 -6.557 0.605 1.181 699 HD2 PHE 97 2HD PHE 97 -2.820 0.967 3.186 700 HE1 PHE 97 1HE PHE 97 -6.495 3.002 0.624 701 HE2 PHE 97 2HE PHE 97 -2.752 3.363 2.632 702 HZ PHE 97 HZ PHE 97 -4.591 4.383 1.351 703 H LYS 98 H LYS 98 -7.744 -2.346 3.930 704 HA LYS 98 HA LYS 98 -6.744 -4.910 4.767 705 HB2 LYS 98 1HB LYS 98 -9.483 -3.874 4.056 706 HB3 LYS 98 2HB LYS 98 -9.195 -5.570 4.422 707 HG2 LYS 98 1HG LYS 98 -8.690 -5.140 6.643 708 HG3 LYS 98 2HG LYS 98 -8.330 -3.439 6.333 709 HD2 LYS 98 1HD LYS 98 -10.745 -3.097 5.807 710 HD3 LYS 98 2HD LYS 98 -11.042 -4.762 6.315 711 HE2 LYS 98 1HE LYS 98 -9.731 -2.709 8.084 712 HE3 LYS 98 2HE LYS 98 -11.473 -2.975 8.050 713 HZ1 LYS 98 1HZ LYS 98 -11.177 -5.198 8.794 714 HZ2 LYS 98 2HZ LYS 98 -10.277 -4.205 9.826 715 HZ3 LYS 98 3HZ LYS 98 -9.496 -5.109 8.628 716 H VAL 99 H VAL 99 -5.667 -6.106 3.328 717 HA VAL 99 HA VAL 99 -6.831 -6.407 0.635 718 HB VAL 99 HB VAL 99 -3.920 -6.608 1.420 719 HG11 VAL 99 1HG1 VAL 99 -3.541 -7.687 -0.484 720 HG12 VAL 99 2HG1 VAL 99 -5.285 -7.817 -0.716 721 HG13 VAL 99 3HG1 VAL 99 -4.403 -6.453 -1.402 722 HG21 VAL 99 1HG2 VAL 99 -3.568 -4.534 0.505 723 HG22 VAL 99 2HG2 VAL 99 -4.987 -4.630 -0.538 724 HG23 VAL 99 3HG2 VAL 99 -5.179 -4.312 1.186 725 H LYS 100 H LYS 100 -7.961 -8.262 0.760 726 HA LYS 100 HA LYS 100 -6.962 -10.539 2.237 727 HB2 LYS 100 1HB LYS 100 -9.381 -9.955 2.175 728 HB3 LYS 100 2HB LYS 100 -9.396 -10.328 0.456 729 HG2 LYS 100 1HG LYS 100 -8.930 -12.629 0.876 730 HG3 LYS 100 2HG LYS 100 -8.642 -12.311 2.588 731 HD2 LYS 100 1HD LYS 100 -10.815 -13.223 2.464 732 HD3 LYS 100 2HD LYS 100 -11.040 -11.487 2.691 733 HE2 LYS 100 1HE LYS 100 -12.571 -12.243 1.005 734 HE3 LYS 100 2HE LYS 100 -11.326 -11.264 0.233 735 HZ1 LYS 100 1HZ LYS 100 -10.424 -13.888 0.203 736 HZ2 LYS 100 2HZ LYS 100 -10.932 -12.957 -1.114 737 HZ3 LYS 100 3HZ LYS 100 -12.040 -13.938 -0.295 738 H VAL 101 H VAL 101 -5.215 -11.445 1.282 739 HA VAL 101 HA VAL 101 -4.877 -11.706 -1.524 740 HB VAL 101 HB VAL 101 -3.498 -13.277 0.657 741 HG11 VAL 101 1HG1 VAL 101 -3.204 -14.250 -1.549 742 HG12 VAL 101 2HG1 VAL 101 -2.699 -12.687 -2.192 743 HG13 VAL 101 3HG1 VAL 101 -1.698 -13.515 -0.998 744 HG21 VAL 101 1HG2 VAL 101 -3.430 -10.710 0.776 745 HG22 VAL 101 2HG2 VAL 101 -1.901 -11.585 0.838 746 HG23 VAL 101 3HG2 VAL 101 -2.413 -10.811 -0.662 747 H LEU 102 H LEU 102 -5.098 -13.486 -2.861 748 HA LEU 102 HA LEU 102 -6.800 -15.642 -1.799 749 HB2 LEU 102 1HB LEU 102 -6.624 -14.386 -4.521 750 HB3 LEU 102 2HB LEU 102 -7.404 -15.944 -4.258 751 HG LEU 102 HG LEU 102 -8.251 -13.392 -2.895 752 HD11 LEU 102 1HD1 LEU 102 -8.717 -12.958 -5.134 753 HD12 LEU 102 2HD1 LEU 102 -10.220 -13.647 -4.524 754 HD13 LEU 102 3HD1 LEU 102 -9.120 -14.641 -5.477 755 HD21 LEU 102 1HD2 LEU 102 -9.812 -14.599 -1.837 756 HD22 LEU 102 2HD2 LEU 102 -8.778 -15.980 -2.208 757 HD23 LEU 102 3HD2 LEU 102 -10.144 -15.594 -3.256 758 HA PRO 103 HA PRO 103 -3.746 -18.652 -2.737 759 HB2 PRO 103 1HB PRO 103 -5.289 -20.766 -3.457 760 HB3 PRO 103 2HB PRO 103 -5.151 -20.202 -1.788 761 HG2 PRO 103 1HG PRO 103 -7.308 -19.670 -3.795 762 HG3 PRO 103 2HG PRO 103 -7.455 -20.066 -2.072 763 HD2 PRO 103 1HD PRO 103 -7.680 -17.535 -3.010 764 HD3 PRO 103 2HD PRO 103 -7.009 -17.904 -1.408 765 H THR 104 H THR 104 -2.449 -18.688 -4.452 766 HA THR 104 HA THR 104 -2.830 -17.855 -6.962 767 HB THR 104 HB THR 104 -1.187 -20.257 -6.148 768 HG1 THR 104 1HG THR 104 -0.740 -18.035 -5.319 769 HG21 THR 104 1HG2 THR 104 -0.972 -18.651 -8.695 770 HG22 THR 104 2HG2 THR 104 -1.706 -20.251 -8.583 771 HG23 THR 104 3HG2 THR 104 0.008 -20.040 -8.229 772 H TYR 105 H TYR 105 -3.967 -20.898 -5.681 773 HA TYR 105 HA TYR 105 -4.751 -21.920 -8.268 774 HB2 TYR 105 1HB TYR 105 -5.657 -23.029 -5.622 775 HB3 TYR 105 2HB TYR 105 -5.414 -23.878 -7.145 776 HD1 TYR 105 2HD TYR 105 -2.792 -23.332 -8.011 777 HD2 TYR 105 1HD TYR 105 -4.178 -23.734 -4.009 778 HE1 TYR 105 2HE TYR 105 -0.527 -23.972 -7.297 779 HE2 TYR 105 1HE TYR 105 -1.916 -24.374 -3.284 780 HH TYR 105 HH TYR 105 0.357 -24.199 -3.976 781 H ASP 106 H ASP 106 -6.779 -21.986 -9.122 782 HA ASP 106 HA ASP 106 -8.737 -20.188 -7.915 783 HB2 ASP 106 1HB ASP 106 -9.918 -20.630 -10.180 784 HB3 ASP 106 2HB ASP 106 -8.456 -19.647 -10.169 785 H ALA 107 H ALA 107 -9.741 -21.334 -6.315 786 HA ALA 107 HA ALA 107 -10.694 -24.021 -6.765 787 HB1 ALA 107 1HB ALA 107 -11.727 -23.663 -4.466 788 HB2 ALA 107 2HB ALA 107 -9.968 -23.621 -4.569 789 HB3 ALA 107 3HB ALA 107 -10.880 -22.117 -4.450 790 H SER 108 H SER 108 -11.779 -22.343 -8.664 791 HA SER 108 HA SER 108 -14.610 -22.257 -7.848 792 HB2 SER 108 1HB SER 108 -14.895 -20.344 -9.426 793 HB3 SER 108 2HB SER 108 -13.826 -19.973 -8.073 794 HG SER 108 HG SER 108 -13.299 -19.879 -10.692 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.555 36.383 -4.349 2 HA2 GLY 1 1HA GLY 1 -9.550 34.733 -2.282 3 HA3 GLY 1 2HA GLY 1 -9.322 34.476 -4.006 4 H SER 2 H SER 2 -7.186 33.746 -3.567 5 HA SER 2 HA SER 2 -5.256 35.887 -3.614 6 HB2 SER 2 1HB SER 2 -5.803 35.181 -1.125 7 HB3 SER 2 2HB SER 2 -4.726 33.837 -1.500 8 HG SER 2 HG SER 2 -3.745 35.817 -0.600 9 H SER 3 H SER 3 -3.055 35.087 -4.036 10 HA SER 3 HA SER 3 -2.964 33.265 -6.119 11 HB2 SER 3 1HB SER 3 -1.174 34.854 -5.796 12 HB3 SER 3 2HB SER 3 -0.760 34.140 -4.238 13 HG SER 3 HG SER 3 -0.751 32.457 -6.456 14 H GLY 4 H GLY 4 -3.443 31.173 -6.077 15 HA2 GLY 4 1HA GLY 4 -3.835 29.489 -4.012 16 HA3 GLY 4 2HA GLY 4 -3.181 28.933 -5.544 17 H SER 5 H SER 5 -2.651 29.098 -2.265 18 HA SER 5 HA SER 5 0.264 28.864 -2.559 19 HB2 SER 5 1HB SER 5 0.420 29.346 -0.184 20 HB3 SER 5 2HB SER 5 -0.583 30.574 -0.956 21 HG SER 5 HG SER 5 -2.394 29.122 -0.283 22 H SER 6 H SER 6 1.083 26.890 -2.575 23 HA SER 6 HA SER 6 -0.359 24.755 -1.142 24 HB2 SER 6 1HB SER 6 -0.473 24.386 -3.545 25 HB3 SER 6 2HB SER 6 1.276 24.560 -3.683 26 HG SER 6 HG SER 6 0.363 22.344 -3.565 27 H GLY 7 H GLY 7 0.705 24.398 0.702 28 HA2 GLY 7 1HA GLY 7 3.524 23.663 0.541 29 HA3 GLY 7 2HA GLY 7 3.129 25.020 1.586 30 H VAL 8 H VAL 8 1.288 24.534 3.174 31 HA VAL 8 HA VAL 8 1.978 22.854 5.118 32 HB VAL 8 HB VAL 8 -0.906 23.103 4.262 33 HG11 VAL 8 1HG1 VAL 8 -1.507 22.371 6.321 34 HG12 VAL 8 2HG1 VAL 8 0.048 21.544 6.215 35 HG13 VAL 8 3HG1 VAL 8 -0.086 23.062 7.103 36 HG21 VAL 8 1HG2 VAL 8 -0.853 25.053 5.915 37 HG22 VAL 8 2HG2 VAL 8 0.898 25.011 5.720 38 HG23 VAL 8 3HG2 VAL 8 -0.137 25.318 4.326 39 H VAL 9 H VAL 9 2.024 20.726 5.591 40 HA VAL 9 HA VAL 9 1.603 18.855 3.432 41 HB VAL 9 HB VAL 9 2.593 18.482 6.258 42 HG11 VAL 9 1HG1 VAL 9 1.572 16.428 5.757 43 HG12 VAL 9 2HG1 VAL 9 2.114 16.471 4.078 44 HG13 VAL 9 3HG1 VAL 9 3.277 16.191 5.374 45 HG21 VAL 9 1HG2 VAL 9 4.065 19.674 4.638 46 HG22 VAL 9 2HG2 VAL 9 4.747 18.169 5.254 47 HG23 VAL 9 3HG2 VAL 9 4.054 18.224 3.634 48 H ASP 10 H ASP 10 -0.168 17.690 3.095 49 HA ASP 10 HA ASP 10 -2.036 17.283 5.337 50 HB2 ASP 10 1HB ASP 10 -2.649 18.962 3.379 51 HB3 ASP 10 2HB ASP 10 -3.081 17.472 2.546 52 HA PRO 11 HA PRO 11 -0.983 13.095 3.963 53 HB2 PRO 11 1HB PRO 11 -1.757 11.916 6.283 54 HB3 PRO 11 2HB PRO 11 -0.183 12.695 6.081 55 HG2 PRO 11 1HG PRO 11 -2.672 13.757 7.362 56 HG3 PRO 11 2HG PRO 11 -0.989 13.880 7.910 57 HD2 PRO 11 1HD PRO 11 -2.264 15.911 6.652 58 HD3 PRO 11 2HD PRO 11 -0.519 15.627 6.482 59 H SER 12 H SER 12 -3.851 14.688 4.431 60 HA SER 12 HA SER 12 -5.521 12.300 4.136 61 HB2 SER 12 1HB SER 12 -7.388 13.669 4.706 62 HB3 SER 12 2HB SER 12 -6.091 14.129 5.808 63 HG SER 12 HG SER 12 -6.349 16.070 5.075 64 H LYS 13 H LYS 13 -3.765 13.981 2.112 65 HA LYS 13 HA LYS 13 -5.829 14.124 0.015 66 HB2 LYS 13 1HB LYS 13 -3.161 15.536 0.002 67 HB3 LYS 13 2HB LYS 13 -4.505 15.785 -1.103 68 HG2 LYS 13 1HG LYS 13 -4.881 16.269 1.817 69 HG3 LYS 13 2HG LYS 13 -4.068 17.476 0.817 70 HD2 LYS 13 1HD LYS 13 -6.202 18.214 0.561 71 HD3 LYS 13 2HD LYS 13 -6.188 17.017 -0.737 72 HE2 LYS 13 1HE LYS 13 -7.146 15.363 0.830 73 HE3 LYS 13 2HE LYS 13 -7.230 16.617 2.066 74 HZ1 LYS 13 1HZ LYS 13 -8.479 17.269 -0.470 75 HZ2 LYS 13 2HZ LYS 13 -9.012 17.562 1.108 76 HZ3 LYS 13 3HZ LYS 13 -9.232 16.037 0.411 77 H VAL 14 H VAL 14 -3.237 12.346 1.122 78 HA VAL 14 HA VAL 14 -2.194 11.562 -1.463 79 HB VAL 14 HB VAL 14 -0.558 11.571 0.229 80 HG11 VAL 14 1HG1 VAL 14 -1.012 9.921 2.255 81 HG12 VAL 14 2HG1 VAL 14 -1.542 11.605 2.285 82 HG13 VAL 14 3HG1 VAL 14 -2.686 10.325 1.879 83 HG21 VAL 14 1HG2 VAL 14 -0.705 9.517 -1.292 84 HG22 VAL 14 2HG2 VAL 14 0.322 9.403 0.136 85 HG23 VAL 14 3HG2 VAL 14 -1.276 8.658 0.139 86 H LYS 15 H LYS 15 -3.015 10.010 -2.691 87 HA LYS 15 HA LYS 15 -4.726 7.970 -1.427 88 HB2 LYS 15 1HB LYS 15 -4.988 9.254 -4.151 89 HB3 LYS 15 2HB LYS 15 -5.922 7.859 -3.628 90 HG2 LYS 15 1HG LYS 15 -7.095 9.102 -2.027 91 HG3 LYS 15 2HG LYS 15 -5.941 10.437 -2.095 92 HD2 LYS 15 1HD LYS 15 -7.638 11.313 -3.359 93 HD3 LYS 15 2HD LYS 15 -6.702 10.511 -4.622 94 HE2 LYS 15 1HE LYS 15 -8.953 9.913 -5.003 95 HE3 LYS 15 2HE LYS 15 -8.195 8.501 -4.268 96 HZ1 LYS 15 1HZ LYS 15 -10.223 10.299 -3.183 97 HZ2 LYS 15 2HZ LYS 15 -9.086 9.676 -2.096 98 HZ3 LYS 15 3HZ LYS 15 -10.053 8.625 -3.002 99 H ILE 16 H ILE 16 -4.900 5.944 -2.791 100 HA ILE 16 HA ILE 16 -2.495 5.368 -4.345 101 HB ILE 16 HB ILE 16 -1.968 3.357 -3.116 102 HG12 ILE 16 1HG1 ILE 16 -4.129 4.140 -1.151 103 HG13 ILE 16 2HG1 ILE 16 -4.329 2.904 -2.387 104 HG21 ILE 16 1HG2 ILE 16 -0.857 5.364 -2.380 105 HG22 ILE 16 2HG2 ILE 16 -2.213 5.771 -1.329 106 HG23 ILE 16 3HG2 ILE 16 -1.220 4.356 -0.978 107 HD11 ILE 16 1HD1 ILE 16 -2.784 2.839 0.133 108 HD12 ILE 16 2HD1 ILE 16 -3.747 1.583 -0.646 109 HD13 ILE 16 3HD1 ILE 16 -2.132 1.956 -1.248 110 H ALA 17 H ALA 17 -2.786 3.859 -5.924 111 HA ALA 17 HA ALA 17 -5.245 2.276 -5.941 112 HB1 ALA 17 1HB ALA 17 -5.238 4.620 -7.280 113 HB2 ALA 17 2HB ALA 17 -4.626 3.534 -8.528 114 HB3 ALA 17 3HB ALA 17 -6.181 3.211 -7.763 115 H GLY 18 H GLY 18 -5.236 0.666 -7.762 116 HA2 GLY 18 1HA GLY 18 -3.595 -0.268 -9.487 117 HA3 GLY 18 2HA GLY 18 -2.483 -0.326 -8.127 118 HA PRO 19 HA PRO 19 -4.948 -4.327 -8.533 119 HB2 PRO 19 1HB PRO 19 -2.839 -5.947 -9.079 120 HB3 PRO 19 2HB PRO 19 -3.771 -5.127 -10.337 121 HG2 PRO 19 1HG PRO 19 -1.141 -4.362 -9.128 122 HG3 PRO 19 2HG PRO 19 -1.643 -4.332 -10.828 123 HD2 PRO 19 1HD PRO 19 -1.586 -2.107 -9.287 124 HD3 PRO 19 2HD PRO 19 -2.767 -2.334 -10.592 125 H GLY 20 H GLY 20 -1.703 -3.760 -7.182 126 HA2 GLY 20 1HA GLY 20 -1.496 -5.739 -5.322 127 HA3 GLY 20 2HA GLY 20 -0.918 -4.104 -5.041 128 H LEU 21 H LEU 21 -3.522 -2.869 -5.097 129 HA LEU 21 HA LEU 21 -4.382 -3.629 -2.412 130 HB2 LEU 21 1HB LEU 21 -5.323 -1.270 -4.020 131 HB3 LEU 21 2HB LEU 21 -5.426 -1.505 -2.277 132 HG LEU 21 HG LEU 21 -2.766 -1.292 -3.641 133 HD11 LEU 21 1HD1 LEU 21 -3.851 0.677 -4.389 134 HD12 LEU 21 2HD1 LEU 21 -2.849 1.143 -3.015 135 HD13 LEU 21 3HD1 LEU 21 -4.590 0.951 -2.811 136 HD21 LEU 21 1HD2 LEU 21 -3.837 -1.084 -0.867 137 HD22 LEU 21 2HD2 LEU 21 -2.384 -0.183 -1.300 138 HD23 LEU 21 3HD2 LEU 21 -2.416 -1.939 -1.466 139 H GLY 22 H GLY 22 -5.464 -3.672 -5.709 140 HA2 GLY 22 1HA GLY 22 -8.209 -3.782 -5.476 141 HA3 GLY 22 2HA GLY 22 -7.291 -4.678 -6.675 142 H SER 23 H SER 23 -9.657 -5.665 -5.649 143 HA SER 23 HA SER 23 -9.022 -7.571 -3.558 144 HB2 SER 23 1HB SER 23 -11.553 -7.152 -5.167 145 HB3 SER 23 2HB SER 23 -11.390 -8.271 -3.815 146 HG SER 23 HG SER 23 -11.038 -6.534 -2.451 147 H GLY 24 H GLY 24 -7.751 -7.646 -6.289 148 HA2 GLY 24 1HA GLY 24 -8.494 -10.431 -6.942 149 HA3 GLY 24 2HA GLY 24 -8.063 -9.256 -8.176 150 H VAL 25 H VAL 25 -6.489 -9.704 -5.047 151 HA VAL 25 HA VAL 25 -3.944 -10.050 -6.412 152 HB VAL 25 HB VAL 25 -4.618 -9.716 -3.488 153 HG11 VAL 25 1HG1 VAL 25 -2.663 -10.773 -3.152 154 HG12 VAL 25 2HG1 VAL 25 -2.140 -10.557 -4.824 155 HG13 VAL 25 3HG1 VAL 25 -1.954 -9.241 -3.663 156 HG21 VAL 25 1HG2 VAL 25 -3.278 -7.871 -5.465 157 HG22 VAL 25 2HG2 VAL 25 -4.919 -7.706 -4.841 158 HG23 VAL 25 3HG2 VAL 25 -3.542 -7.534 -3.754 159 H ARG 26 H ARG 26 -2.614 -11.832 -6.225 160 HA ARG 26 HA ARG 26 -3.831 -14.225 -5.009 161 HB2 ARG 26 1HB ARG 26 -2.219 -14.011 -7.556 162 HB3 ARG 26 2HB ARG 26 -2.662 -15.533 -6.794 163 HG2 ARG 26 1HG ARG 26 -5.065 -14.815 -7.021 164 HG3 ARG 26 2HG ARG 26 -4.483 -13.489 -8.030 165 HD2 ARG 26 1HD ARG 26 -3.262 -15.399 -9.327 166 HD3 ARG 26 2HD ARG 26 -4.465 -16.430 -8.556 167 HE ARG 26 HE ARG 26 -5.625 -14.153 -9.841 168 HH11 ARG 26 1HH1 ARG 26 -4.402 -17.370 -10.356 169 HH12 ARG 26 2HH1 ARG 26 -5.358 -17.648 -11.773 170 HH21 ARG 26 1HH2 ARG 26 -6.890 -14.505 -11.706 171 HH22 ARG 26 2HH2 ARG 26 -6.773 -16.017 -12.541 172 H ALA 27 H ALA 27 -2.427 -15.735 -4.047 173 HA ALA 27 HA ALA 27 -0.193 -14.605 -2.717 174 HB1 ALA 27 1HB ALA 27 -1.052 -17.489 -2.917 175 HB2 ALA 27 2HB ALA 27 0.126 -16.842 -1.774 176 HB3 ALA 27 3HB ALA 27 -1.561 -16.333 -1.686 177 H ARG 28 H ARG 28 2.013 -15.154 -2.869 178 HA ARG 28 HA ARG 28 3.966 -15.458 -3.998 179 HB2 ARG 28 1HB ARG 28 2.394 -17.770 -5.147 180 HB3 ARG 28 2HB ARG 28 4.127 -17.551 -5.350 181 HG2 ARG 28 1HG ARG 28 4.043 -17.428 -2.704 182 HG3 ARG 28 2HG ARG 28 2.582 -18.383 -2.964 183 HD2 ARG 28 1HD ARG 28 3.802 -20.071 -4.123 184 HD3 ARG 28 2HD ARG 28 5.251 -19.069 -4.176 185 HE ARG 28 HE ARG 28 5.777 -19.833 -2.096 186 HH11 ARG 28 1HH1 ARG 28 2.361 -20.273 -2.604 187 HH12 ARG 28 2HH1 ARG 28 2.114 -21.110 -1.107 188 HH21 ARG 28 1HH2 ARG 28 5.465 -20.934 -0.123 189 HH22 ARG 28 2HH2 ARG 28 3.880 -21.485 0.304 190 H VAL 29 H VAL 29 2.082 -13.618 -5.132 191 HA VAL 29 HA VAL 29 2.898 -13.775 -7.959 192 HB VAL 29 HB VAL 29 0.253 -12.792 -6.881 193 HG11 VAL 29 1HG1 VAL 29 1.599 -12.401 -9.510 194 HG12 VAL 29 2HG1 VAL 29 -0.153 -12.609 -9.468 195 HG13 VAL 29 3HG1 VAL 29 0.601 -11.287 -8.577 196 HG21 VAL 29 1HG2 VAL 29 -0.399 -14.888 -7.236 197 HG22 VAL 29 2HG2 VAL 29 -0.113 -14.628 -8.957 198 HG23 VAL 29 3HG2 VAL 29 1.160 -15.311 -7.945 199 H LEU 30 H LEU 30 3.462 -11.840 -8.958 200 HA LEU 30 HA LEU 30 4.607 -9.866 -7.275 201 HB2 LEU 30 1HB LEU 30 5.437 -10.528 -9.537 202 HB3 LEU 30 2HB LEU 30 4.062 -9.672 -10.232 203 HG LEU 30 HG LEU 30 5.006 -7.618 -8.968 204 HD11 LEU 30 1HD1 LEU 30 6.637 -8.825 -7.624 205 HD12 LEU 30 2HD1 LEU 30 7.433 -7.660 -8.683 206 HD13 LEU 30 3HD1 LEU 30 7.453 -9.376 -9.088 207 HD21 LEU 30 1HD2 LEU 30 6.928 -7.804 -10.977 208 HD22 LEU 30 2HD2 LEU 30 5.316 -7.103 -11.108 209 HD23 LEU 30 3HD2 LEU 30 5.580 -8.793 -11.539 210 H GLN 31 H GLN 31 3.458 -8.432 -6.167 211 HA GLN 31 HA GLN 31 1.121 -7.201 -7.472 212 HB2 GLN 31 1HB GLN 31 1.595 -7.509 -4.504 213 HB3 GLN 31 2HB GLN 31 0.147 -6.878 -5.276 214 HG2 GLN 31 1HG GLN 31 1.157 -9.687 -5.640 215 HG3 GLN 31 2HG GLN 31 -0.048 -9.213 -4.443 216 HE21 GLN 31 1HE2 GLN 31 -0.594 -11.110 -6.353 217 HE22 GLN 31 2HE2 GLN 31 -1.761 -10.490 -7.464 218 H SER 32 H SER 32 1.218 -5.090 -7.853 219 HA SER 32 HA SER 32 2.880 -3.377 -6.170 220 HB2 SER 32 1HB SER 32 4.449 -3.872 -7.887 221 HB3 SER 32 2HB SER 32 3.228 -3.713 -9.150 222 HG SER 32 HG SER 32 3.167 -1.499 -8.758 223 H PHE 33 H PHE 33 2.277 -1.198 -6.176 224 HA PHE 33 HA PHE 33 -0.048 -0.448 -7.786 225 HB2 PHE 33 1HB PHE 33 -1.130 0.538 -5.749 226 HB3 PHE 33 2HB PHE 33 -1.062 -1.221 -5.749 227 HD1 PHE 33 1HD PHE 33 1.015 -2.256 -4.537 228 HD2 PHE 33 2HD PHE 33 -0.454 1.683 -3.873 229 HE1 PHE 33 1HE PHE 33 2.128 -2.214 -2.343 230 HE2 PHE 33 2HE PHE 33 0.658 1.733 -1.679 231 HZ PHE 33 HZ PHE 33 1.952 -0.218 -0.912 232 H THR 34 H THR 34 -0.598 1.980 -7.181 233 HA THR 34 HA THR 34 1.962 3.443 -7.126 234 HB THR 34 HB THR 34 -0.553 4.201 -8.627 235 HG1 THR 34 1HG THR 34 1.910 3.641 -9.861 236 HG21 THR 34 1HG2 THR 34 0.393 6.251 -8.217 237 HG22 THR 34 2HG2 THR 34 1.273 5.799 -9.677 238 HG23 THR 34 3HG2 THR 34 2.025 5.595 -8.095 239 H VAL 35 H VAL 35 2.119 5.266 -5.882 240 HA VAL 35 HA VAL 35 -0.216 5.899 -4.195 241 HB VAL 35 HB VAL 35 2.688 6.186 -3.417 242 HG11 VAL 35 1HG1 VAL 35 0.877 6.066 -1.220 243 HG12 VAL 35 2HG1 VAL 35 1.952 7.381 -1.698 244 HG13 VAL 35 3HG1 VAL 35 0.316 7.297 -2.352 245 HG21 VAL 35 1HG2 VAL 35 1.978 3.821 -3.695 246 HG22 VAL 35 2HG2 VAL 35 2.412 4.235 -2.038 247 HG23 VAL 35 3HG2 VAL 35 0.715 4.099 -2.496 248 H ASP 36 H ASP 36 -1.064 7.754 -4.881 249 HA ASP 36 HA ASP 36 0.655 9.838 -5.979 250 HB2 ASP 36 1HB ASP 36 -1.484 9.164 -7.112 251 HB3 ASP 36 2HB ASP 36 -2.357 9.832 -5.735 252 H SER 37 H SER 37 1.680 10.840 -4.315 253 HA SER 37 HA SER 37 -0.002 11.947 -2.166 254 HB2 SER 37 1HB SER 37 1.996 12.018 -0.778 255 HB3 SER 37 2HB SER 37 1.784 10.389 -1.420 256 HG SER 37 HG SER 37 3.321 12.110 -2.952 257 H SER 38 H SER 38 0.640 13.001 -4.929 258 HA SER 38 HA SER 38 2.362 15.231 -4.656 259 HB2 SER 38 1HB SER 38 1.663 15.856 -6.816 260 HB3 SER 38 2HB SER 38 1.511 14.099 -6.814 261 HG SER 38 HG SER 38 -0.673 14.286 -6.621 262 H LYS 39 H LYS 39 -1.077 14.760 -4.133 263 HA LYS 39 HA LYS 39 -1.621 17.560 -3.749 264 HB2 LYS 39 1HB LYS 39 -3.281 15.106 -3.148 265 HB3 LYS 39 2HB LYS 39 -3.858 16.761 -3.011 266 HG2 LYS 39 1HG LYS 39 -2.764 15.679 -5.585 267 HG3 LYS 39 2HG LYS 39 -4.455 15.473 -5.123 268 HD2 LYS 39 1HD LYS 39 -4.748 17.871 -4.993 269 HD3 LYS 39 2HD LYS 39 -3.034 18.127 -5.325 270 HE2 LYS 39 1HE LYS 39 -4.822 16.650 -7.233 271 HE3 LYS 39 2HE LYS 39 -4.677 18.407 -7.266 272 HZ1 LYS 39 1HZ LYS 39 -3.141 16.920 -8.732 273 HZ2 LYS 39 2HZ LYS 39 -2.232 16.786 -7.311 274 HZ3 LYS 39 3HZ LYS 39 -2.526 18.309 -7.987 275 H ALA 40 H ALA 40 -0.349 15.055 -1.843 276 HA ALA 40 HA ALA 40 -1.270 16.012 0.703 277 HB1 ALA 40 1HB ALA 40 0.856 14.026 -0.070 278 HB2 ALA 40 2HB ALA 40 0.443 14.416 1.600 279 HB3 ALA 40 3HB ALA 40 -0.766 13.693 0.539 280 H GLY 41 H GLY 41 1.657 16.359 -1.243 281 HA2 GLY 41 1HA GLY 41 2.575 18.732 -0.857 282 HA3 GLY 41 2HA GLY 41 2.762 18.170 0.798 283 H LEU 42 H LEU 42 4.932 18.145 1.019 284 HA LEU 42 HA LEU 42 6.460 16.535 -0.921 285 HB2 LEU 42 1HB LEU 42 8.391 17.923 0.297 286 HB3 LEU 42 2HB LEU 42 7.555 18.489 -1.147 287 HG LEU 42 HG LEU 42 7.898 20.197 0.670 288 HD11 LEU 42 1HD1 LEU 42 4.975 19.818 0.180 289 HD12 LEU 42 2HD1 LEU 42 6.065 20.130 -1.170 290 HD13 LEU 42 3HD1 LEU 42 5.938 21.296 0.147 291 HD21 LEU 42 1HD2 LEU 42 6.764 18.166 2.257 292 HD22 LEU 42 2HD2 LEU 42 5.591 19.482 2.201 293 HD23 LEU 42 3HD2 LEU 42 7.239 19.792 2.749 294 H ALA 43 H ALA 43 4.995 15.939 1.731 295 HA ALA 43 HA ALA 43 7.068 15.133 3.539 296 HB1 ALA 43 1HB ALA 43 5.219 15.436 4.790 297 HB2 ALA 43 2HB ALA 43 4.126 15.024 3.468 298 HB3 ALA 43 3HB ALA 43 4.917 13.745 4.388 299 HA PRO 44 HA PRO 44 8.096 11.181 1.920 300 HB2 PRO 44 1HB PRO 44 8.694 9.845 4.206 301 HB3 PRO 44 2HB PRO 44 9.739 11.096 3.524 302 HG2 PRO 44 1HG PRO 44 7.754 11.296 5.756 303 HG3 PRO 44 2HG PRO 44 9.389 11.975 5.648 304 HD2 PRO 44 1HD PRO 44 7.165 13.454 5.203 305 HD3 PRO 44 2HD PRO 44 8.699 13.759 4.362 306 H LEU 45 H LEU 45 7.563 8.838 2.106 307 HA LEU 45 HA LEU 45 4.860 8.402 3.187 308 HB2 LEU 45 1HB LEU 45 4.571 8.629 0.847 309 HB3 LEU 45 2HB LEU 45 5.971 7.615 0.508 310 HG LEU 45 HG LEU 45 4.471 5.810 1.769 311 HD11 LEU 45 1HD1 LEU 45 2.297 6.250 1.932 312 HD12 LEU 45 2HD1 LEU 45 2.229 6.909 0.298 313 HD13 LEU 45 3HD1 LEU 45 2.714 7.939 1.644 314 HD21 LEU 45 1HD2 LEU 45 4.006 6.567 -1.111 315 HD22 LEU 45 2HD2 LEU 45 3.839 4.969 -0.384 316 HD23 LEU 45 3HD2 LEU 45 5.434 5.712 -0.526 317 H GLU 46 H GLU 46 4.548 6.551 4.299 318 HA GLU 46 HA GLU 46 6.764 4.608 4.335 319 HB2 GLU 46 1HB GLU 46 5.176 5.817 6.559 320 HB3 GLU 46 2HB GLU 46 5.773 4.173 6.740 321 HG2 GLU 46 1HG GLU 46 8.057 4.986 6.307 322 HG3 GLU 46 2HG GLU 46 7.430 6.631 6.220 323 H VAL 47 H VAL 47 6.255 2.429 4.429 324 HA VAL 47 HA VAL 47 3.416 1.698 4.304 325 HB VAL 47 HB VAL 47 5.487 0.693 2.346 326 HG11 VAL 47 1HG1 VAL 47 2.516 0.217 2.318 327 HG12 VAL 47 2HG1 VAL 47 3.755 -0.567 1.335 328 HG13 VAL 47 3HG1 VAL 47 3.661 -0.897 3.067 329 HG21 VAL 47 1HG2 VAL 47 3.801 1.855 0.731 330 HG22 VAL 47 2HG2 VAL 47 3.378 2.801 2.158 331 HG23 VAL 47 3HG2 VAL 47 5.034 2.813 1.553 332 H ARG 48 H ARG 48 2.924 -0.359 5.051 333 HA ARG 48 HA ARG 48 5.094 -2.093 5.929 334 HB2 ARG 48 1HB ARG 48 3.189 -0.676 7.750 335 HB3 ARG 48 2HB ARG 48 3.745 -2.290 8.175 336 HG2 ARG 48 1HG ARG 48 5.669 -0.094 7.493 337 HG3 ARG 48 2HG ARG 48 5.024 -0.297 9.123 338 HD2 ARG 48 1HD ARG 48 5.850 -2.647 9.084 339 HD3 ARG 48 2HD ARG 48 6.614 -2.304 7.532 340 HE ARG 48 HE ARG 48 7.394 -0.451 9.561 341 HH11 ARG 48 1HH1 ARG 48 7.980 -3.634 8.277 342 HH12 ARG 48 2HH1 ARG 48 9.611 -3.709 8.857 343 HH21 ARG 48 1HH2 ARG 48 9.540 -0.539 10.329 344 HH22 ARG 48 2HH2 ARG 48 10.496 -1.949 10.025 345 H VAL 49 H VAL 49 4.573 -4.225 5.894 346 HA VAL 49 HA VAL 49 1.787 -4.892 5.197 347 HB VAL 49 HB VAL 49 4.321 -6.317 4.373 348 HG11 VAL 49 1HG1 VAL 49 1.444 -6.937 3.714 349 HG12 VAL 49 2HG1 VAL 49 2.854 -7.749 3.033 350 HG13 VAL 49 3HG1 VAL 49 2.500 -7.890 4.755 351 HG21 VAL 49 1HG2 VAL 49 2.538 -5.356 2.285 352 HG22 VAL 49 2HG2 VAL 49 3.186 -4.055 3.286 353 HG23 VAL 49 3HG2 VAL 49 4.282 -5.163 2.461 354 H LEU 50 H LEU 50 0.723 -6.248 6.492 355 HA LEU 50 HA LEU 50 2.274 -7.882 8.389 356 HB2 LEU 50 1HB LEU 50 -0.090 -6.118 8.857 357 HB3 LEU 50 2HB LEU 50 0.152 -7.541 9.866 358 HG LEU 50 HG LEU 50 0.991 -5.354 10.802 359 HD11 LEU 50 1HD1 LEU 50 2.780 -7.741 10.458 360 HD12 LEU 50 2HD1 LEU 50 1.760 -7.318 11.832 361 HD13 LEU 50 3HD1 LEU 50 3.213 -6.378 11.492 362 HD21 LEU 50 1HD2 LEU 50 2.734 -4.215 9.882 363 HD22 LEU 50 2HD2 LEU 50 2.007 -4.849 8.405 364 HD23 LEU 50 3HD2 LEU 50 3.413 -5.648 9.112 365 H GLY 51 H GLY 51 1.935 -9.977 8.089 366 HA2 GLY 51 1HA GLY 51 0.015 -11.034 6.337 367 HA3 GLY 51 2HA GLY 51 0.935 -11.960 7.513 368 HA PRO 52 HA PRO 52 -3.642 -11.850 8.615 369 HB2 PRO 52 1HB PRO 52 -4.077 -14.521 8.396 370 HB3 PRO 52 2HB PRO 52 -4.269 -13.403 7.041 371 HG2 PRO 52 1HG PRO 52 -1.966 -15.197 7.704 372 HG3 PRO 52 2HG PRO 52 -2.721 -14.880 6.131 373 HD2 PRO 52 1HD PRO 52 -0.410 -13.699 6.902 374 HD3 PRO 52 2HD PRO 52 -1.589 -12.894 5.846 375 H ARG 53 H ARG 53 -1.154 -14.263 9.411 376 HA ARG 53 HA ARG 53 -2.260 -14.685 12.050 377 HB2 ARG 53 1HB ARG 53 0.370 -15.695 10.966 378 HB3 ARG 53 2HB ARG 53 -0.535 -16.328 12.334 379 HG2 ARG 53 1HG ARG 53 -1.232 -17.848 10.842 380 HG3 ARG 53 2HG ARG 53 -2.374 -16.585 10.380 381 HD2 ARG 53 1HD ARG 53 -1.517 -17.042 8.325 382 HD3 ARG 53 2HD ARG 53 -0.333 -15.846 8.847 383 HE ARG 53 HE ARG 53 1.256 -17.500 8.956 384 HH11 ARG 53 1HH1 ARG 53 -1.902 -18.931 8.632 385 HH12 ARG 53 2HH1 ARG 53 -1.293 -20.529 8.355 386 HH21 ARG 53 1HH2 ARG 53 2.070 -19.599 8.590 387 HH22 ARG 53 2HH2 ARG 53 0.966 -20.909 8.332 388 H GLY 54 H GLY 54 0.401 -12.940 10.574 389 HA2 GLY 54 1HA GLY 54 0.822 -10.872 12.084 390 HA3 GLY 54 2HA GLY 54 1.347 -12.100 13.226 391 H LEU 55 H LEU 55 1.881 -12.274 9.761 392 HA LEU 55 HA LEU 55 4.734 -12.485 10.222 393 HB2 LEU 55 1HB LEU 55 3.944 -14.056 8.689 394 HB3 LEU 55 2HB LEU 55 2.941 -12.872 7.854 395 HG LEU 55 HG LEU 55 5.178 -11.806 7.137 396 HD11 LEU 55 1HD1 LEU 55 6.139 -14.586 7.798 397 HD12 LEU 55 2HD1 LEU 55 6.562 -13.130 8.696 398 HD13 LEU 55 3HD1 LEU 55 7.063 -13.304 7.014 399 HD21 LEU 55 1HD2 LEU 55 4.231 -12.633 5.286 400 HD22 LEU 55 2HD2 LEU 55 3.701 -14.104 6.100 401 HD23 LEU 55 3HD2 LEU 55 5.350 -13.981 5.487 402 H VAL 56 H VAL 56 6.302 -11.228 9.053 403 HA VAL 56 HA VAL 56 5.333 -8.527 8.367 404 HB VAL 56 HB VAL 56 7.973 -9.273 9.636 405 HG11 VAL 56 1HG1 VAL 56 8.164 -7.389 8.077 406 HG12 VAL 56 2HG1 VAL 56 6.866 -6.555 8.934 407 HG13 VAL 56 3HG1 VAL 56 8.397 -6.881 9.749 408 HG21 VAL 56 1HG2 VAL 56 6.074 -7.438 10.962 409 HG22 VAL 56 2HG2 VAL 56 5.619 -9.141 10.918 410 HG23 VAL 56 3HG2 VAL 56 7.146 -8.656 11.653 411 H GLU 57 H GLU 57 5.440 -8.269 6.234 412 HA GLU 57 HA GLU 57 7.679 -9.484 4.767 413 HB2 GLU 57 1HB GLU 57 5.045 -8.438 3.711 414 HB3 GLU 57 2HB GLU 57 6.296 -9.222 2.759 415 HG2 GLU 57 1HG GLU 57 4.918 -10.568 5.061 416 HG3 GLU 57 2HG GLU 57 4.324 -10.647 3.404 417 HA PRO 58 HA PRO 58 9.458 -5.520 4.066 418 HB2 PRO 58 1HB PRO 58 10.889 -6.083 1.829 419 HB3 PRO 58 2HB PRO 58 11.356 -6.651 3.436 420 HG2 PRO 58 1HG PRO 58 9.918 -8.113 1.254 421 HG3 PRO 58 2HG PRO 58 11.224 -8.683 2.311 422 HD2 PRO 58 1HD PRO 58 8.624 -9.307 2.740 423 HD3 PRO 58 2HD PRO 58 9.789 -9.106 4.065 424 H VAL 59 H VAL 59 9.718 -3.873 2.299 425 HA VAL 59 HA VAL 59 7.682 -4.070 0.203 426 HB VAL 59 HB VAL 59 7.037 -1.664 0.714 427 HG11 VAL 59 1HG1 VAL 59 6.242 -3.506 2.937 428 HG12 VAL 59 2HG1 VAL 59 5.261 -2.331 2.057 429 HG13 VAL 59 3HG1 VAL 59 5.756 -3.833 1.274 430 HG21 VAL 59 1HG2 VAL 59 8.316 -2.346 3.360 431 HG22 VAL 59 2HG2 VAL 59 8.893 -1.139 2.211 432 HG23 VAL 59 3HG2 VAL 59 7.344 -0.913 3.023 433 H ASN 60 H ASN 60 7.895 -2.333 -1.430 434 HA ASN 60 HA ASN 60 10.695 -1.442 -1.670 435 HB2 ASN 60 1HB ASN 60 10.086 -3.235 -3.277 436 HB3 ASN 60 2HB ASN 60 8.817 -2.197 -3.920 437 HD21 ASN 60 1HD2 ASN 60 9.337 -1.160 -5.691 438 HD22 ASN 60 2HD2 ASN 60 10.926 -0.671 -6.161 439 H VAL 61 H VAL 61 11.094 0.621 -2.411 440 HA VAL 61 HA VAL 61 8.748 2.341 -2.870 441 HB VAL 61 HB VAL 61 11.171 3.066 -1.215 442 HG11 VAL 61 1HG1 VAL 61 9.038 4.657 -2.464 443 HG12 VAL 61 2HG1 VAL 61 9.354 5.021 -0.767 444 HG13 VAL 61 3HG1 VAL 61 10.657 5.130 -1.951 445 HG21 VAL 61 1HG2 VAL 61 10.006 2.606 0.650 446 HG22 VAL 61 2HG2 VAL 61 8.492 3.209 -0.026 447 HG23 VAL 61 3HG2 VAL 61 9.042 1.578 -0.411 448 H VAL 62 H VAL 62 8.855 3.163 -4.844 449 HA VAL 62 HA VAL 62 11.451 4.099 -5.853 450 HB VAL 62 HB VAL 62 10.418 3.346 -8.177 451 HG11 VAL 62 1HG1 VAL 62 12.381 2.360 -6.408 452 HG12 VAL 62 2HG1 VAL 62 11.531 0.960 -7.069 453 HG13 VAL 62 3HG1 VAL 62 12.277 2.134 -8.154 454 HG21 VAL 62 1HG2 VAL 62 9.164 1.334 -8.094 455 HG22 VAL 62 2HG2 VAL 62 9.381 1.189 -6.350 456 HG23 VAL 62 3HG2 VAL 62 8.363 2.469 -7.008 457 H ASP 63 H ASP 63 11.224 6.229 -6.032 458 HA ASP 63 HA ASP 63 8.706 7.511 -6.416 459 HB2 ASP 63 1HB ASP 63 10.477 8.607 -5.150 460 HB3 ASP 63 2HB ASP 63 11.521 8.607 -6.569 461 H ASN 64 H ASN 64 7.702 8.067 -8.241 462 HA ASN 64 HA ASN 64 8.730 7.216 -10.763 463 HB2 ASN 64 1HB ASN 64 6.267 8.769 -9.967 464 HB3 ASN 64 2HB ASN 64 6.640 8.373 -11.642 465 HD21 ASN 64 1HD2 ASN 64 6.183 6.917 -8.458 466 HD22 ASN 64 2HD2 ASN 64 5.511 5.434 -9.038 467 H GLY 65 H GLY 65 8.171 10.382 -9.259 468 HA2 GLY 65 1HA GLY 65 9.901 12.085 -9.664 469 HA3 GLY 65 2HA GLY 65 9.917 11.550 -11.339 470 H ASP 66 H ASP 66 6.912 11.302 -11.229 471 HA ASP 66 HA ASP 66 6.376 14.044 -12.003 472 HB2 ASP 66 1HB ASP 66 4.125 13.079 -12.657 473 HB3 ASP 66 2HB ASP 66 5.518 12.407 -13.500 474 H GLY 67 H GLY 67 5.120 11.688 -9.656 475 HA2 GLY 67 1HA GLY 67 4.770 13.342 -7.523 476 HA3 GLY 67 2HA GLY 67 3.319 13.601 -8.477 477 H THR 68 H THR 68 4.969 10.522 -8.344 478 HA THR 68 HA THR 68 3.032 9.467 -6.432 479 HB THR 68 HB THR 68 2.350 7.628 -7.868 480 HG1 THR 68 1HG THR 68 4.044 8.893 -9.774 481 HG21 THR 68 1HG2 THR 68 0.859 8.796 -9.284 482 HG22 THR 68 2HG2 THR 68 1.966 10.158 -9.453 483 HG23 THR 68 3HG2 THR 68 1.150 9.870 -7.917 484 H HIS 69 H HIS 69 3.492 6.955 -6.238 485 HA HIS 69 HA HIS 69 6.321 6.337 -6.533 486 HB2 HIS 69 1HB HIS 69 4.976 6.229 -3.827 487 HB3 HIS 69 2HB HIS 69 6.647 5.804 -4.188 488 HD1 HIS 69 1HD HIS 69 8.243 7.578 -3.580 489 HD2 HIS 69 2HD HIS 69 4.525 9.139 -4.581 490 HE1 HIS 69 1HE HIS 69 8.448 10.063 -3.256 491 HE2 HIS 69 2HE HIS 69 6.162 10.978 -3.786 492 H THR 70 H THR 70 6.633 4.248 -7.000 493 HA THR 70 HA THR 70 4.311 2.476 -6.936 494 HB THR 70 HB THR 70 6.934 2.386 -8.403 495 HG1 THR 70 1HG THR 70 4.258 2.806 -8.991 496 HG21 THR 70 1HG2 THR 70 5.828 0.171 -9.332 497 HG22 THR 70 2HG2 THR 70 5.119 0.124 -7.718 498 HG23 THR 70 3HG2 THR 70 6.872 0.145 -7.911 499 H VAL 71 H VAL 71 4.192 0.636 -5.751 500 HA VAL 71 HA VAL 71 6.525 -0.072 -4.097 501 HB VAL 71 HB VAL 71 3.653 -0.184 -3.172 502 HG11 VAL 71 1HG1 VAL 71 4.489 -1.600 -1.668 503 HG12 VAL 71 2HG1 VAL 71 6.150 -1.254 -2.154 504 HG13 VAL 71 3HG1 VAL 71 5.339 -0.215 -0.981 505 HG21 VAL 71 1HG2 VAL 71 4.149 2.109 -3.290 506 HG22 VAL 71 2HG2 VAL 71 4.449 1.667 -1.609 507 HG23 VAL 71 3HG2 VAL 71 5.801 1.867 -2.722 508 H THR 72 H THR 72 7.213 -1.951 -4.907 509 HA THR 72 HA THR 72 5.297 -3.921 -5.881 510 HB THR 72 HB THR 72 7.354 -5.191 -6.574 511 HG1 THR 72 1HG THR 72 9.140 -3.287 -6.576 512 HG21 THR 72 1HG2 THR 72 6.421 -4.006 -8.330 513 HG22 THR 72 2HG2 THR 72 8.054 -3.341 -8.279 514 HG23 THR 72 3HG2 THR 72 6.711 -2.444 -7.566 515 H TYR 73 H TYR 73 4.979 -5.920 -4.988 516 HA TYR 73 HA TYR 73 6.608 -6.954 -2.878 517 HB2 TYR 73 1HB TYR 73 5.264 -6.641 -1.023 518 HB3 TYR 73 2HB TYR 73 5.034 -5.115 -1.868 519 HD1 TYR 73 2HD TYR 73 3.485 -8.330 -0.990 520 HD2 TYR 73 1HD TYR 73 2.909 -4.549 -2.855 521 HE1 TYR 73 2HE TYR 73 1.056 -8.713 -1.003 522 HE2 TYR 73 1HE TYR 73 0.478 -4.922 -2.873 523 HH TYR 73 HH TYR 73 -1.179 -6.294 -2.339 524 H THR 74 H THR 74 5.782 -9.030 -2.056 525 HA THR 74 HA THR 74 3.765 -10.278 -3.783 526 HB THR 74 HB THR 74 6.400 -11.617 -3.159 527 HG1 THR 74 1HG THR 74 5.697 -10.736 -5.739 528 HG21 THR 74 1HG2 THR 74 4.975 -12.587 -5.464 529 HG22 THR 74 2HG2 THR 74 3.930 -12.618 -4.044 530 HG23 THR 74 3HG2 THR 74 5.481 -13.458 -4.017 531 HA PRO 75 HA PRO 75 2.484 -11.567 0.301 532 HB2 PRO 75 1HB PRO 75 0.212 -12.804 -0.521 533 HB3 PRO 75 2HB PRO 75 0.347 -11.049 -0.366 534 HG2 PRO 75 1HG PRO 75 0.558 -12.755 -2.816 535 HG3 PRO 75 2HG PRO 75 -0.285 -11.210 -2.597 536 HD2 PRO 75 1HD PRO 75 2.145 -11.389 -3.780 537 HD3 PRO 75 2HD PRO 75 1.650 -9.979 -2.821 538 H SER 76 H SER 76 4.121 -13.091 0.704 539 HA SER 76 HA SER 76 4.783 -15.414 -0.438 540 HB2 SER 76 1HB SER 76 5.804 -14.675 1.648 541 HB3 SER 76 2HB SER 76 4.317 -15.026 2.529 542 HG SER 76 HG SER 76 5.439 -17.097 1.045 543 H GLN 77 H GLN 77 2.093 -15.166 1.890 544 HA GLN 77 HA GLN 77 0.892 -17.524 0.597 545 HB2 GLN 77 1HB GLN 77 -0.087 -18.051 2.867 546 HB3 GLN 77 2HB GLN 77 1.649 -18.288 2.715 547 HG2 GLN 77 1HG GLN 77 1.720 -15.821 3.634 548 HG3 GLN 77 2HG GLN 77 0.136 -16.264 4.271 549 HE21 GLN 77 1HE2 GLN 77 0.777 -16.230 6.397 550 HE22 GLN 77 2HE2 GLN 77 1.842 -17.409 7.077 551 H GLU 78 H GLU 78 -1.512 -17.683 1.108 552 HA GLU 78 HA GLU 78 -2.712 -15.131 0.446 553 HB2 GLU 78 1HB GLU 78 -4.727 -16.394 -0.002 554 HB3 GLU 78 2HB GLU 78 -3.356 -17.199 -0.753 555 HG2 GLU 78 1HG GLU 78 -4.594 -18.927 0.183 556 HG3 GLU 78 2HG GLU 78 -3.288 -18.659 1.336 557 H GLY 79 H GLY 79 -4.970 -14.744 1.494 558 HA2 GLY 79 1HA GLY 79 -6.188 -15.174 3.646 559 HA3 GLY 79 2HA GLY 79 -4.619 -14.996 4.418 560 HA PRO 80 HA PRO 80 -6.941 -10.894 4.208 561 HB2 PRO 80 1HB PRO 80 -7.252 -10.562 6.884 562 HB3 PRO 80 2HB PRO 80 -8.439 -11.397 5.877 563 HG2 PRO 80 1HG PRO 80 -6.300 -12.543 7.630 564 HG3 PRO 80 2HG PRO 80 -7.983 -13.063 7.434 565 HD2 PRO 80 1HD PRO 80 -5.920 -14.319 6.212 566 HD3 PRO 80 2HD PRO 80 -7.535 -14.209 5.485 567 H TYR 81 H TYR 81 -4.887 -10.117 3.496 568 HA TYR 81 HA TYR 81 -2.776 -9.678 5.411 569 HB2 TYR 81 1HB TYR 81 -3.154 -9.214 2.493 570 HB3 TYR 81 2HB TYR 81 -1.945 -8.242 3.324 571 HD1 TYR 81 1HD TYR 81 -2.946 -11.820 3.712 572 HD2 TYR 81 2HD TYR 81 0.144 -9.057 2.757 573 HE1 TYR 81 1HE TYR 81 -1.344 -13.679 3.542 574 HE2 TYR 81 2HE TYR 81 1.755 -10.907 2.583 575 HH TYR 81 HH TYR 81 0.724 -14.271 2.859 576 H MET 82 H MET 82 -1.782 -7.419 5.508 577 HA MET 82 HA MET 82 -3.758 -5.276 5.428 578 HB2 MET 82 1HB MET 82 -3.916 -6.299 7.690 579 HB3 MET 82 2HB MET 82 -2.214 -5.934 7.942 580 HG2 MET 82 1HG MET 82 -2.586 -3.657 8.079 581 HG3 MET 82 2HG MET 82 -4.127 -3.756 7.232 582 HE1 MET 82 1HE MET 82 -3.203 -2.935 11.117 583 HE2 MET 82 2HE MET 82 -2.965 -4.652 11.440 584 HE3 MET 82 3HE MET 82 -2.085 -3.872 10.126 585 H VAL 83 H VAL 83 -2.815 -3.693 4.335 586 HA VAL 83 HA VAL 83 0.093 -3.326 4.590 587 HB VAL 83 HB VAL 83 -1.770 -2.421 2.390 588 HG11 VAL 83 1HG1 VAL 83 0.532 -1.177 3.143 589 HG12 VAL 83 2HG1 VAL 83 1.122 -2.322 1.937 590 HG13 VAL 83 3HG1 VAL 83 -0.136 -1.162 1.511 591 HG21 VAL 83 1HG2 VAL 83 -1.354 -4.352 1.373 592 HG22 VAL 83 2HG2 VAL 83 0.385 -4.141 1.578 593 HG23 VAL 83 3HG2 VAL 83 -0.565 -4.908 2.849 594 H SER 84 H SER 84 0.278 -1.970 6.321 595 HA SER 84 HA SER 84 -1.418 0.337 6.625 596 HB2 SER 84 1HB SER 84 -0.726 -0.585 8.675 597 HB3 SER 84 2HB SER 84 0.945 -0.750 8.140 598 HG SER 84 HG SER 84 1.027 1.028 9.354 599 H VAL 85 H VAL 85 -0.892 2.472 6.312 600 HA VAL 85 HA VAL 85 1.728 3.087 5.146 601 HB VAL 85 HB VAL 85 -0.921 3.882 3.930 602 HG11 VAL 85 1HG1 VAL 85 1.870 4.670 3.098 603 HG12 VAL 85 2HG1 VAL 85 0.374 5.095 2.265 604 HG13 VAL 85 3HG1 VAL 85 0.695 5.728 3.880 605 HG21 VAL 85 1HG2 VAL 85 0.841 2.719 2.057 606 HG22 VAL 85 2HG2 VAL 85 0.837 1.677 3.479 607 HG23 VAL 85 3HG2 VAL 85 -0.680 2.069 2.669 608 H LYS 86 H LYS 86 2.510 5.108 5.601 609 HA LYS 86 HA LYS 86 0.781 6.902 7.165 610 HB2 LYS 86 1HB LYS 86 2.622 5.435 8.407 611 HB3 LYS 86 2HB LYS 86 3.676 6.730 7.853 612 HG2 LYS 86 1HG LYS 86 2.327 8.370 9.011 613 HG3 LYS 86 2HG LYS 86 1.185 7.118 9.501 614 HD2 LYS 86 1HD LYS 86 3.072 5.986 10.697 615 HD3 LYS 86 2HD LYS 86 4.069 7.399 10.339 616 HE2 LYS 86 1HE LYS 86 3.313 7.997 12.403 617 HE3 LYS 86 2HE LYS 86 2.010 8.664 11.423 618 HZ1 LYS 86 1HZ LYS 86 0.616 7.412 12.576 619 HZ2 LYS 86 2HZ LYS 86 1.883 6.662 13.410 620 HZ3 LYS 86 3HZ LYS 86 1.344 6.024 11.937 621 H TYR 87 H TYR 87 1.784 9.131 7.362 622 HA TYR 87 HA TYR 87 3.600 9.891 5.242 623 HB2 TYR 87 1HB TYR 87 1.128 9.769 4.363 624 HB3 TYR 87 2HB TYR 87 0.956 11.298 5.219 625 HD1 TYR 87 1HD TYR 87 3.124 9.613 2.694 626 HD2 TYR 87 2HD TYR 87 1.520 13.278 4.145 627 HE1 TYR 87 1HE TYR 87 4.095 10.794 0.768 628 HE2 TYR 87 2HE TYR 87 2.487 14.468 2.222 629 HH TYR 87 HH TYR 87 3.190 13.780 -0.206 630 H ALA 88 H ALA 88 4.951 11.235 6.215 631 HA ALA 88 HA ALA 88 5.801 12.882 7.536 632 HB1 ALA 88 1HB ALA 88 3.104 14.163 7.692 633 HB2 ALA 88 2HB ALA 88 4.694 14.912 7.559 634 HB3 ALA 88 3HB ALA 88 3.977 14.114 6.160 635 H ASP 89 H ASP 89 4.715 10.514 8.788 636 HA ASP 89 HA ASP 89 4.484 9.717 10.912 637 HB2 ASP 89 1HB ASP 89 4.605 12.570 11.893 638 HB3 ASP 89 2HB ASP 89 4.986 11.103 12.790 639 H GLU 90 H GLU 90 2.236 10.440 9.259 640 HA GLU 90 HA GLU 90 0.210 10.580 11.355 641 HB2 GLU 90 1HB GLU 90 0.276 12.407 8.950 642 HB3 GLU 90 2HB GLU 90 -1.135 12.183 9.974 643 HG2 GLU 90 1HG GLU 90 0.561 12.835 11.876 644 HG3 GLU 90 2HG GLU 90 1.413 13.598 10.535 645 H GLU 91 H GLU 91 -0.678 8.625 11.084 646 HA GLU 91 HA GLU 91 -0.787 7.080 8.813 647 HB2 GLU 91 1HB GLU 91 -2.336 7.187 11.336 648 HB3 GLU 91 2HB GLU 91 -3.069 6.292 10.012 649 HG2 GLU 91 1HG GLU 91 -1.367 4.723 9.957 650 HG3 GLU 91 2HG GLU 91 -0.232 5.779 10.794 651 H ILE 92 H ILE 92 -1.599 7.539 6.885 652 HA ILE 92 HA ILE 92 -3.350 9.599 6.271 653 HB ILE 92 HB ILE 92 -3.727 8.447 4.109 654 HG12 ILE 92 1HG1 ILE 92 -1.998 6.260 5.283 655 HG13 ILE 92 2HG1 ILE 92 -3.740 6.136 5.053 656 HG21 ILE 92 1HG2 ILE 92 -0.976 8.793 5.225 657 HG22 ILE 92 2HG2 ILE 92 -1.197 8.230 3.570 658 HG23 ILE 92 3HG2 ILE 92 -1.848 9.792 4.063 659 HD11 ILE 92 1HD1 ILE 92 -1.615 5.678 3.186 660 HD12 ILE 92 2HD1 ILE 92 -3.339 5.334 3.034 661 HD13 ILE 92 3HD1 ILE 92 -2.712 6.918 2.579 662 HA PRO 93 HA PRO 93 -7.389 8.230 7.312 663 HB2 PRO 93 1HB PRO 93 -8.854 9.399 5.348 664 HB3 PRO 93 2HB PRO 93 -8.125 10.311 6.675 665 HG2 PRO 93 1HG PRO 93 -7.148 9.943 3.871 666 HG3 PRO 93 2HG PRO 93 -7.180 11.414 4.860 667 HD2 PRO 93 1HD PRO 93 -4.935 9.940 4.512 668 HD3 PRO 93 2HD PRO 93 -5.269 10.833 6.010 669 H ARG 94 H ARG 94 -5.721 6.982 4.781 670 HA ARG 94 HA ARG 94 -7.972 5.294 3.905 671 HB2 ARG 94 1HB ARG 94 -5.458 6.127 2.459 672 HB3 ARG 94 2HB ARG 94 -6.495 4.823 1.895 673 HG2 ARG 94 1HG ARG 94 -8.379 6.447 1.806 674 HG3 ARG 94 2HG ARG 94 -7.227 7.726 2.196 675 HD2 ARG 94 1HD ARG 94 -7.344 7.814 -0.120 676 HD3 ARG 94 2HD ARG 94 -5.902 6.840 0.169 677 HE ARG 94 HE ARG 94 -6.948 5.075 -0.833 678 HH11 ARG 94 1HH1 ARG 94 -9.342 7.438 0.069 679 HH12 ARG 94 2HH1 ARG 94 -10.643 6.615 -0.728 680 HH21 ARG 94 1HH2 ARG 94 -8.653 3.983 -1.886 681 HH22 ARG 94 2HH2 ARG 94 -10.250 4.650 -1.838 682 H SER 95 H SER 95 -5.433 5.288 5.940 683 HA SER 95 HA SER 95 -4.858 2.430 5.498 684 HB2 SER 95 1HB SER 95 -2.744 3.292 5.344 685 HB3 SER 95 2HB SER 95 -3.136 4.711 6.315 686 HG SER 95 HG SER 95 -2.751 3.606 8.125 687 HA PRO 96 HA PRO 96 -3.471 1.020 6.811 688 HB2 PRO 96 1HB PRO 96 -4.404 -1.416 7.566 689 HB3 PRO 96 2HB PRO 96 -3.326 -0.445 8.576 690 HG2 PRO 96 1HG PRO 96 -6.299 -0.755 8.732 691 HG3 PRO 96 2HG PRO 96 -5.106 -0.734 10.043 692 HD2 PRO 96 1HD PRO 96 -6.613 1.424 9.410 693 HD3 PRO 96 2HD PRO 96 -4.962 1.566 10.043 694 H PHE 97 H PHE 97 -3.821 -0.967 5.324 695 HA PHE 97 HA PHE 97 -6.342 -0.587 3.846 696 HB2 PHE 97 1HB PHE 97 -3.553 -1.119 2.824 697 HB3 PHE 97 2HB PHE 97 -4.989 -1.305 1.822 698 HD1 PHE 97 1HD PHE 97 -6.283 0.628 1.126 699 HD2 PHE 97 2HD PHE 97 -2.752 1.056 3.465 700 HE1 PHE 97 1HE PHE 97 -6.212 3.026 0.577 701 HE2 PHE 97 2HE PHE 97 -2.677 3.453 2.919 702 HZ PHE 97 HZ PHE 97 -4.409 4.442 1.474 703 H LYS 98 H LYS 98 -7.628 -2.292 3.978 704 HA LYS 98 HA LYS 98 -6.613 -4.879 4.754 705 HB2 LYS 98 1HB LYS 98 -8.968 -5.563 4.751 706 HB3 LYS 98 2HB LYS 98 -8.735 -4.080 5.665 707 HG2 LYS 98 1HG LYS 98 -9.378 -2.924 3.420 708 HG3 LYS 98 2HG LYS 98 -10.090 -4.496 3.042 709 HD2 LYS 98 1HD LYS 98 -11.661 -4.334 4.723 710 HD3 LYS 98 2HD LYS 98 -10.687 -3.210 5.671 711 HE2 LYS 98 1HE LYS 98 -11.812 -2.434 3.001 712 HE3 LYS 98 2HE LYS 98 -12.779 -2.311 4.470 713 HZ1 LYS 98 1HZ LYS 98 -10.480 -1.110 5.190 714 HZ2 LYS 98 2HZ LYS 98 -11.856 -0.298 4.633 715 HZ3 LYS 98 3HZ LYS 98 -10.597 -0.660 3.562 716 H VAL 99 H VAL 99 -5.633 -6.087 3.264 717 HA VAL 99 HA VAL 99 -6.885 -6.294 0.601 718 HB VAL 99 HB VAL 99 -3.953 -6.569 1.279 719 HG11 VAL 99 1HG1 VAL 99 -4.959 -6.429 -1.513 720 HG12 VAL 99 2HG1 VAL 99 -3.529 -7.234 -0.863 721 HG13 VAL 99 3HG1 VAL 99 -5.126 -7.956 -0.647 722 HG21 VAL 99 1HG2 VAL 99 -4.010 -4.333 1.152 723 HG22 VAL 99 2HG2 VAL 99 -4.184 -4.582 -0.585 724 HG23 VAL 99 3HG2 VAL 99 -5.613 -4.322 0.416 725 H LYS 100 H LYS 100 -8.029 -8.137 0.685 726 HA LYS 100 HA LYS 100 -7.078 -10.455 2.117 727 HB2 LYS 100 1HB LYS 100 -9.472 -9.910 2.061 728 HB3 LYS 100 2HB LYS 100 -9.481 -10.104 0.313 729 HG2 LYS 100 1HG LYS 100 -9.239 -12.410 0.440 730 HG3 LYS 100 2HG LYS 100 -8.634 -12.351 2.098 731 HD2 LYS 100 1HD LYS 100 -10.841 -13.163 2.262 732 HD3 LYS 100 2HD LYS 100 -10.927 -11.466 2.744 733 HE2 LYS 100 1HE LYS 100 -11.394 -12.232 -0.107 734 HE3 LYS 100 2HE LYS 100 -12.680 -12.447 1.078 735 HZ1 LYS 100 1HZ LYS 100 -11.439 -9.960 0.120 736 HZ2 LYS 100 2HZ LYS 100 -12.123 -10.003 1.666 737 HZ3 LYS 100 3HZ LYS 100 -13.078 -10.335 0.309 738 H VAL 101 H VAL 101 -5.361 -11.440 1.214 739 HA VAL 101 HA VAL 101 -4.940 -11.634 -1.597 740 HB VAL 101 HB VAL 101 -3.638 -13.255 0.595 741 HG11 VAL 101 1HG1 VAL 101 -1.779 -13.422 -1.051 742 HG12 VAL 101 2HG1 VAL 101 -3.256 -14.244 -1.558 743 HG13 VAL 101 3HG1 VAL 101 -2.833 -12.678 -2.252 744 HG21 VAL 101 1HG2 VAL 101 -3.572 -10.539 0.383 745 HG22 VAL 101 2HG2 VAL 101 -2.303 -11.524 1.110 746 HG23 VAL 101 3HG2 VAL 101 -2.163 -11.007 -0.569 747 H LEU 102 H LEU 102 -5.165 -13.382 -2.967 748 HA LEU 102 HA LEU 102 -6.911 -15.537 -1.974 749 HB2 LEU 102 1HB LEU 102 -6.667 -14.266 -4.688 750 HB3 LEU 102 2HB LEU 102 -7.516 -15.787 -4.422 751 HG LEU 102 HG LEU 102 -8.260 -13.203 -3.059 752 HD11 LEU 102 1HD1 LEU 102 -10.222 -13.389 -4.738 753 HD12 LEU 102 2HD1 LEU 102 -9.094 -14.351 -5.691 754 HD13 LEU 102 3HD1 LEU 102 -8.694 -12.685 -5.271 755 HD21 LEU 102 1HD2 LEU 102 -9.660 -14.464 -1.891 756 HD22 LEU 102 2HD2 LEU 102 -9.024 -15.907 -2.680 757 HD23 LEU 102 3HD2 LEU 102 -10.396 -15.050 -3.383 758 HA PRO 103 HA PRO 103 -3.877 -18.562 -2.925 759 HB2 PRO 103 1HB PRO 103 -5.434 -20.647 -3.701 760 HB3 PRO 103 2HB PRO 103 -5.310 -20.114 -2.021 761 HG2 PRO 103 1HG PRO 103 -7.435 -19.522 -4.045 762 HG3 PRO 103 2HG PRO 103 -7.608 -19.946 -2.332 763 HD2 PRO 103 1HD PRO 103 -7.795 -17.398 -3.227 764 HD3 PRO 103 2HD PRO 103 -7.147 -17.802 -1.624 765 H THR 104 H THR 104 -2.558 -18.602 -4.622 766 HA THR 104 HA THR 104 -2.855 -17.709 -7.112 767 HB THR 104 HB THR 104 -1.378 -20.257 -6.423 768 HG1 THR 104 1HG THR 104 0.231 -18.952 -5.819 769 HG21 THR 104 1HG2 THR 104 -1.845 -19.803 -8.891 770 HG22 THR 104 2HG2 THR 104 -0.157 -20.021 -8.427 771 HG23 THR 104 3HG2 THR 104 -0.790 -18.401 -8.717 772 H TYR 105 H TYR 105 -4.101 -20.775 -5.958 773 HA TYR 105 HA TYR 105 -5.075 -21.466 -8.625 774 HB2 TYR 105 1HB TYR 105 -4.939 -22.964 -6.016 775 HB3 TYR 105 2HB TYR 105 -5.884 -23.561 -7.376 776 HD1 TYR 105 1HD TYR 105 -2.459 -22.671 -6.286 777 HD2 TYR 105 2HD TYR 105 -4.845 -24.664 -9.192 778 HE1 TYR 105 1HE TYR 105 -0.436 -23.708 -7.228 779 HE2 TYR 105 2HE TYR 105 -2.829 -25.706 -10.141 780 HH TYR 105 HH TYR 105 0.366 -25.184 -8.691 781 H ASP 106 H ASP 106 -7.090 -21.086 -9.260 782 HA ASP 106 HA ASP 106 -8.993 -20.000 -7.336 783 HB2 ASP 106 1HB ASP 106 -8.549 -18.860 -9.528 784 HB3 ASP 106 2HB ASP 106 -9.289 -20.241 -10.334 785 H ALA 107 H ALA 107 -10.507 -21.215 -6.434 786 HA ALA 107 HA ALA 107 -10.897 -23.937 -7.126 787 HB1 ALA 107 1HB ALA 107 -12.217 -24.077 -5.264 788 HB2 ALA 107 2HB ALA 107 -11.287 -22.630 -4.872 789 HB3 ALA 107 3HB ALA 107 -12.925 -22.481 -5.508 790 H SER 108 H SER 108 -11.433 -23.788 -9.383 791 HA SER 108 HA SER 108 -13.722 -22.427 -10.335 792 HB2 SER 108 1HB SER 108 -12.111 -24.723 -11.456 793 HB3 SER 108 2HB SER 108 -13.469 -24.000 -12.319 794 HG SER 108 HG SER 108 -11.463 -22.319 -11.326 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -3.542 32.110 -9.334 2 HA2 GLY 1 1HA GLY 1 -0.706 32.112 -9.140 3 HA3 GLY 1 2HA GLY 1 -1.285 33.682 -9.678 4 H SER 2 H SER 2 0.098 33.210 -7.253 5 HA SER 2 HA SER 2 -1.843 34.325 -5.407 6 HB2 SER 2 1HB SER 2 -0.385 31.737 -4.847 7 HB3 SER 2 2HB SER 2 -1.146 32.714 -3.591 8 HG SER 2 HG SER 2 -2.338 30.881 -4.834 9 H SER 3 H SER 3 -0.781 35.088 -3.381 10 HA SER 3 HA SER 3 1.858 36.168 -4.038 11 HB2 SER 3 1HB SER 3 -0.220 37.555 -3.237 12 HB3 SER 3 2HB SER 3 0.276 37.012 -1.635 13 HG SER 3 HG SER 3 2.425 37.852 -2.274 14 H GLY 4 H GLY 4 3.639 35.378 -3.140 15 HA2 GLY 4 1HA GLY 4 5.048 34.492 -1.532 16 HA3 GLY 4 2HA GLY 4 3.702 34.497 -0.403 17 H SER 5 H SER 5 5.649 32.422 -0.723 18 HA SER 5 HA SER 5 4.180 30.264 -2.040 19 HB2 SER 5 1HB SER 5 6.688 30.606 -2.343 20 HB3 SER 5 2HB SER 5 6.868 30.054 -0.678 21 HG SER 5 HG SER 5 5.386 28.248 -1.695 22 H SER 6 H SER 6 3.194 28.633 -0.982 23 HA SER 6 HA SER 6 2.962 28.887 1.918 24 HB2 SER 6 1HB SER 6 1.069 27.265 1.638 25 HB3 SER 6 2HB SER 6 0.861 28.768 0.737 26 HG SER 6 HG SER 6 1.561 27.665 -1.129 27 H GLY 7 H GLY 7 2.894 26.876 3.227 28 HA2 GLY 7 1HA GLY 7 4.410 24.629 2.147 29 HA3 GLY 7 2HA GLY 7 5.164 25.523 3.458 30 H VAL 8 H VAL 8 2.183 23.795 2.600 31 HA VAL 8 HA VAL 8 2.004 22.923 5.411 32 HB VAL 8 HB VAL 8 0.197 24.486 4.945 33 HG11 VAL 8 1HG1 VAL 8 -1.579 23.694 3.273 34 HG12 VAL 8 2HG1 VAL 8 -0.110 24.430 2.629 35 HG13 VAL 8 3HG1 VAL 8 -0.303 22.676 2.606 36 HG21 VAL 8 1HG2 VAL 8 -0.996 23.226 6.331 37 HG22 VAL 8 2HG2 VAL 8 -1.591 22.296 4.956 38 HG23 VAL 8 3HG2 VAL 8 -0.130 21.785 5.800 39 H VAL 9 H VAL 9 1.560 20.790 5.793 40 HA VAL 9 HA VAL 9 1.592 19.034 3.432 41 HB VAL 9 HB VAL 9 2.483 18.529 6.269 42 HG11 VAL 9 1HG1 VAL 9 2.014 16.629 4.000 43 HG12 VAL 9 2HG1 VAL 9 3.225 16.287 5.237 44 HG13 VAL 9 3HG1 VAL 9 1.531 16.485 5.691 45 HG21 VAL 9 1HG2 VAL 9 4.630 18.621 5.508 46 HG22 VAL 9 2HG2 VAL 9 4.198 18.083 3.885 47 HG23 VAL 9 3HG2 VAL 9 3.882 19.748 4.375 48 H ASP 10 H ASP 10 -0.030 17.638 3.063 49 HA ASP 10 HA ASP 10 -2.044 17.249 5.173 50 HB2 ASP 10 1HB ASP 10 -2.580 17.839 2.254 51 HB3 ASP 10 2HB ASP 10 -3.807 17.347 3.417 52 HA PRO 11 HA PRO 11 -0.763 13.096 3.852 53 HB2 PRO 11 1HB PRO 11 -1.515 11.904 6.173 54 HB3 PRO 11 2HB PRO 11 0.029 12.743 5.979 55 HG2 PRO 11 1HG PRO 11 -2.512 13.715 7.229 56 HG3 PRO 11 2HG PRO 11 -0.843 13.909 7.793 57 HD2 PRO 11 1HD PRO 11 -2.183 15.878 6.506 58 HD3 PRO 11 2HD PRO 11 -0.427 15.662 6.356 59 H SER 12 H SER 12 -3.697 14.578 4.278 60 HA SER 12 HA SER 12 -5.270 12.125 3.989 61 HB2 SER 12 1HB SER 12 -6.015 14.985 4.590 62 HB3 SER 12 2HB SER 12 -7.224 13.771 4.173 63 HG SER 12 HG SER 12 -6.666 14.135 6.500 64 H LYS 13 H LYS 13 -3.746 14.372 2.074 65 HA LYS 13 HA LYS 13 -5.734 14.309 -0.065 66 HB2 LYS 13 1HB LYS 13 -3.036 15.670 -0.022 67 HB3 LYS 13 2HB LYS 13 -4.318 15.915 -1.201 68 HG2 LYS 13 1HG LYS 13 -4.547 16.569 1.729 69 HG3 LYS 13 2HG LYS 13 -4.139 17.732 0.465 70 HD2 LYS 13 1HD LYS 13 -6.719 16.258 0.900 71 HD3 LYS 13 2HD LYS 13 -6.446 18.000 0.801 72 HE2 LYS 13 1HE LYS 13 -5.673 17.525 -1.607 73 HE3 LYS 13 2HE LYS 13 -6.468 15.964 -1.404 74 HZ1 LYS 13 1HZ LYS 13 -8.152 18.089 -0.556 75 HZ2 LYS 13 2HZ LYS 13 -8.438 16.898 -1.722 76 HZ3 LYS 13 3HZ LYS 13 -7.649 18.331 -2.153 77 H VAL 14 H VAL 14 -3.265 12.394 1.014 78 HA VAL 14 HA VAL 14 -2.281 11.606 -1.611 79 HB VAL 14 HB VAL 14 -0.611 11.687 0.104 80 HG11 VAL 14 1HG1 VAL 14 -1.249 9.613 1.880 81 HG12 VAL 14 2HG1 VAL 14 -1.183 11.343 2.223 82 HG13 VAL 14 3HG1 VAL 14 -2.706 10.597 1.738 83 HG21 VAL 14 1HG2 VAL 14 0.429 9.758 -0.450 84 HG22 VAL 14 2HG2 VAL 14 -0.942 8.754 0.023 85 HG23 VAL 14 3HG2 VAL 14 -0.951 9.580 -1.535 86 H LYS 15 H LYS 15 -2.842 9.790 -2.679 87 HA LYS 15 HA LYS 15 -4.585 7.852 -1.323 88 HB2 LYS 15 1HB LYS 15 -5.053 8.957 -4.099 89 HB3 LYS 15 2HB LYS 15 -6.018 7.720 -3.303 90 HG2 LYS 15 1HG LYS 15 -6.905 9.248 -1.760 91 HG3 LYS 15 2HG LYS 15 -5.686 10.467 -2.143 92 HD2 LYS 15 1HD LYS 15 -7.617 9.488 -4.220 93 HD3 LYS 15 2HD LYS 15 -8.059 10.772 -3.093 94 HE2 LYS 15 1HE LYS 15 -6.529 12.253 -3.972 95 HE3 LYS 15 2HE LYS 15 -5.491 10.971 -4.597 96 HZ1 LYS 15 1HZ LYS 15 -6.650 10.844 -6.502 97 HZ2 LYS 15 2HZ LYS 15 -7.125 12.421 -6.116 98 HZ3 LYS 15 3HZ LYS 15 -8.145 11.119 -5.760 99 H ILE 16 H ILE 16 -4.834 5.820 -2.691 100 HA ILE 16 HA ILE 16 -2.500 5.268 -4.361 101 HB ILE 16 HB ILE 16 -1.945 3.226 -3.176 102 HG12 ILE 16 1HG1 ILE 16 -3.978 4.048 -1.095 103 HG13 ILE 16 2HG1 ILE 16 -4.271 2.817 -2.319 104 HG21 ILE 16 1HG2 ILE 16 -0.757 5.208 -2.503 105 HG22 ILE 16 2HG2 ILE 16 -2.047 5.647 -1.384 106 HG23 ILE 16 3HG2 ILE 16 -1.066 4.213 -1.080 107 HD11 ILE 16 1HD1 ILE 16 -1.986 1.886 -1.265 108 HD12 ILE 16 2HD1 ILE 16 -2.670 2.699 0.143 109 HD13 ILE 16 3HD1 ILE 16 -3.590 1.441 -0.682 110 H ALA 17 H ALA 17 -2.861 3.797 -5.955 111 HA ALA 17 HA ALA 17 -5.309 2.198 -5.888 112 HB1 ALA 17 1HB ALA 17 -5.642 2.922 -8.355 113 HB2 ALA 17 2HB ALA 17 -6.203 3.981 -7.060 114 HB3 ALA 17 3HB ALA 17 -4.687 4.329 -7.890 115 H GLY 18 H GLY 18 -5.313 0.424 -7.368 116 HA2 GLY 18 1HA GLY 18 -3.726 -0.390 -9.316 117 HA3 GLY 18 2HA GLY 18 -2.605 -0.499 -7.967 118 HA PRO 19 HA PRO 19 -5.214 -4.419 -8.453 119 HB2 PRO 19 1HB PRO 19 -3.210 -6.071 -9.245 120 HB3 PRO 19 2HB PRO 19 -4.207 -5.157 -10.382 121 HG2 PRO 19 1HG PRO 19 -1.468 -4.540 -9.346 122 HG3 PRO 19 2HG PRO 19 -2.096 -4.402 -10.999 123 HD2 PRO 19 1HD PRO 19 -1.844 -2.266 -9.354 124 HD3 PRO 19 2HD PRO 19 -3.130 -2.386 -10.573 125 H GLY 20 H GLY 20 -2.033 -3.699 -7.132 126 HA2 GLY 20 1HA GLY 20 -1.736 -5.907 -5.434 127 HA3 GLY 20 2HA GLY 20 -1.014 -4.326 -5.174 128 H LEU 21 H LEU 21 -3.663 -3.015 -5.087 129 HA LEU 21 HA LEU 21 -4.275 -3.683 -2.306 130 HB2 LEU 21 1HB LEU 21 -5.285 -1.322 -3.867 131 HB3 LEU 21 2HB LEU 21 -5.243 -1.527 -2.118 132 HG LEU 21 HG LEU 21 -2.680 -1.467 -3.652 133 HD11 LEU 21 1HD1 LEU 21 -3.753 0.469 -4.515 134 HD12 LEU 21 2HD1 LEU 21 -2.643 1.008 -3.256 135 HD13 LEU 21 3HD1 LEU 21 -4.372 0.913 -2.924 136 HD21 LEU 21 1HD2 LEU 21 -2.006 -0.301 -1.497 137 HD22 LEU 21 2HD2 LEU 21 -2.420 -2.011 -1.378 138 HD23 LEU 21 3HD2 LEU 21 -3.580 -0.785 -0.867 139 H GLY 22 H GLY 22 -5.642 -3.752 -5.493 140 HA2 GLY 22 1HA GLY 22 -8.369 -3.809 -4.941 141 HA3 GLY 22 2HA GLY 22 -7.604 -4.636 -6.290 142 H SER 23 H SER 23 -9.804 -5.754 -5.180 143 HA SER 23 HA SER 23 -9.034 -7.696 -3.179 144 HB2 SER 23 1HB SER 23 -11.315 -8.355 -3.147 145 HB3 SER 23 2HB SER 23 -11.336 -6.605 -3.364 146 HG SER 23 HG SER 23 -11.412 -7.194 -5.718 147 H GLY 24 H GLY 24 -7.912 -7.591 -6.029 148 HA2 GLY 24 1HA GLY 24 -8.507 -10.402 -6.723 149 HA3 GLY 24 2HA GLY 24 -8.123 -9.171 -7.916 150 H VAL 25 H VAL 25 -6.540 -9.768 -4.808 151 HA VAL 25 HA VAL 25 -3.984 -9.962 -6.202 152 HB VAL 25 HB VAL 25 -4.660 -9.686 -3.274 153 HG11 VAL 25 1HG1 VAL 25 -2.105 -9.288 -3.140 154 HG12 VAL 25 2HG1 VAL 25 -2.713 -10.945 -3.183 155 HG13 VAL 25 3HG1 VAL 25 -2.050 -10.209 -4.643 156 HG21 VAL 25 1HG2 VAL 25 -3.758 -7.486 -3.459 157 HG22 VAL 25 2HG2 VAL 25 -3.187 -7.794 -5.100 158 HG23 VAL 25 3HG2 VAL 25 -4.917 -7.693 -4.772 159 H ARG 26 H ARG 26 -2.556 -11.690 -5.966 160 HA ARG 26 HA ARG 26 -3.728 -14.154 -4.855 161 HB2 ARG 26 1HB ARG 26 -1.936 -13.961 -7.281 162 HB3 ARG 26 2HB ARG 26 -2.673 -15.422 -6.637 163 HG2 ARG 26 1HG ARG 26 -4.862 -14.655 -7.232 164 HG3 ARG 26 2HG ARG 26 -4.227 -13.077 -7.705 165 HD2 ARG 26 1HD ARG 26 -3.107 -15.497 -9.019 166 HD3 ARG 26 2HD ARG 26 -4.726 -14.975 -9.481 167 HE ARG 26 HE ARG 26 -2.949 -12.782 -9.530 168 HH11 ARG 26 1HH1 ARG 26 -3.746 -15.684 -11.278 169 HH12 ARG 26 2HH1 ARG 26 -3.199 -15.072 -12.804 170 HH21 ARG 26 1HH2 ARG 26 -2.225 -11.965 -11.534 171 HH22 ARG 26 2HH2 ARG 26 -2.333 -12.956 -12.948 172 H ALA 27 H ALA 27 -2.188 -15.748 -4.104 173 HA ALA 27 HA ALA 27 -0.052 -14.546 -2.622 174 HB1 ALA 27 1HB ALA 27 0.363 -16.892 -1.852 175 HB2 ALA 27 2HB ALA 27 -1.274 -16.298 -1.569 176 HB3 ALA 27 3HB ALA 27 -0.956 -17.403 -2.905 177 H ARG 28 H ARG 28 2.169 -14.995 -2.772 178 HA ARG 28 HA ARG 28 4.141 -15.179 -3.897 179 HB2 ARG 28 1HB ARG 28 2.759 -17.542 -5.179 180 HB3 ARG 28 2HB ARG 28 4.494 -17.257 -5.137 181 HG2 ARG 28 1HG ARG 28 4.092 -17.214 -2.540 182 HG3 ARG 28 2HG ARG 28 2.664 -18.155 -2.976 183 HD2 ARG 28 1HD ARG 28 4.296 -19.595 -4.349 184 HD3 ARG 28 2HD ARG 28 5.558 -18.816 -3.396 185 HE ARG 28 HE ARG 28 3.465 -19.939 -1.792 186 HH11 ARG 28 1HH1 ARG 28 6.434 -20.620 -3.477 187 HH12 ARG 28 2HH1 ARG 28 6.833 -21.987 -2.489 188 HH21 ARG 28 1HH2 ARG 28 3.979 -21.736 -0.485 189 HH22 ARG 28 2HH2 ARG 28 5.436 -22.621 -0.789 190 H VAL 29 H VAL 29 2.043 -13.517 -5.069 191 HA VAL 29 HA VAL 29 2.882 -13.630 -7.895 192 HB VAL 29 HB VAL 29 0.234 -12.863 -6.699 193 HG11 VAL 29 1HG1 VAL 29 -0.373 -12.107 -9.031 194 HG12 VAL 29 2HG1 VAL 29 0.685 -11.026 -8.122 195 HG13 VAL 29 3HG1 VAL 29 1.355 -12.071 -9.375 196 HG21 VAL 29 1HG2 VAL 29 -0.032 -15.023 -7.315 197 HG22 VAL 29 2HG2 VAL 29 -0.310 -14.302 -8.899 198 HG23 VAL 29 3HG2 VAL 29 1.275 -14.961 -8.497 199 H LEU 30 H LEU 30 3.477 -11.727 -8.897 200 HA LEU 30 HA LEU 30 4.587 -9.711 -7.244 201 HB2 LEU 30 1HB LEU 30 5.536 -10.329 -9.411 202 HB3 LEU 30 2HB LEU 30 4.095 -9.718 -10.218 203 HG LEU 30 HG LEU 30 4.798 -7.475 -9.007 204 HD11 LEU 30 1HD1 LEU 30 7.452 -7.570 -9.389 205 HD12 LEU 30 2HD1 LEU 30 7.174 -9.214 -8.814 206 HD13 LEU 30 3HD1 LEU 30 6.684 -7.840 -7.824 207 HD21 LEU 30 1HD2 LEU 30 5.247 -6.780 -11.086 208 HD22 LEU 30 2HD2 LEU 30 4.887 -8.438 -11.565 209 HD23 LEU 30 3HD2 LEU 30 6.557 -7.941 -11.293 210 H GLN 31 H GLN 31 3.386 -8.298 -6.154 211 HA GLN 31 HA GLN 31 1.044 -7.121 -7.497 212 HB2 GLN 31 1HB GLN 31 1.563 -7.304 -4.526 213 HB3 GLN 31 2HB GLN 31 0.097 -6.718 -5.301 214 HG2 GLN 31 1HG GLN 31 1.131 -9.528 -5.575 215 HG3 GLN 31 2HG GLN 31 -0.057 -9.023 -4.375 216 HE21 GLN 31 1HE2 GLN 31 -0.593 -10.994 -6.229 217 HE22 GLN 31 2HE2 GLN 31 -1.798 -10.427 -7.329 218 H SER 32 H SER 32 1.099 -5.023 -7.958 219 HA SER 32 HA SER 32 2.783 -3.230 -6.382 220 HB2 SER 32 1HB SER 32 4.175 -3.971 -8.290 221 HB3 SER 32 2HB SER 32 2.939 -3.385 -9.402 222 HG SER 32 HG SER 32 4.886 -2.010 -8.121 223 H PHE 33 H PHE 33 2.208 -1.014 -6.554 224 HA PHE 33 HA PHE 33 -0.189 -0.353 -8.074 225 HB2 PHE 33 1HB PHE 33 -1.213 0.689 -6.009 226 HB3 PHE 33 2HB PHE 33 -1.200 -1.071 -6.038 227 HD1 PHE 33 1HD PHE 33 0.858 -2.192 -4.876 228 HD2 PHE 33 2HD PHE 33 -0.466 1.784 -4.130 229 HE1 PHE 33 1HE PHE 33 2.009 -2.219 -2.701 230 HE2 PHE 33 2HE PHE 33 0.683 1.762 -1.955 231 HZ PHE 33 HZ PHE 33 1.923 -0.241 -1.238 232 H THR 34 H THR 34 -0.766 2.097 -7.303 233 HA THR 34 HA THR 34 1.777 3.585 -7.421 234 HB THR 34 HB THR 34 -0.811 4.355 -8.783 235 HG1 THR 34 1HG THR 34 0.804 4.003 -10.653 236 HG21 THR 34 1HG2 THR 34 0.150 6.314 -9.393 237 HG22 THR 34 2HG2 THR 34 1.761 5.607 -9.515 238 HG23 THR 34 3HG2 THR 34 1.108 6.048 -7.938 239 H VAL 35 H VAL 35 2.025 5.265 -6.051 240 HA VAL 35 HA VAL 35 -0.259 5.922 -4.307 241 HB VAL 35 HB VAL 35 2.678 6.193 -3.650 242 HG11 VAL 35 1HG1 VAL 35 0.407 7.365 -2.495 243 HG12 VAL 35 2HG1 VAL 35 0.895 6.068 -1.402 244 HG13 VAL 35 3HG1 VAL 35 2.047 7.327 -1.847 245 HG21 VAL 35 1HG2 VAL 35 2.695 4.132 -2.725 246 HG22 VAL 35 2HG2 VAL 35 1.005 4.220 -2.229 247 HG23 VAL 35 3HG2 VAL 35 1.414 3.830 -3.899 248 H ASP 36 H ASP 36 -1.137 7.780 -4.954 249 HA ASP 36 HA ASP 36 0.531 9.883 -6.088 250 HB2 ASP 36 1HB ASP 36 -1.585 9.310 -7.208 251 HB3 ASP 36 2HB ASP 36 -2.472 9.740 -5.748 252 H SER 37 H SER 37 1.582 11.026 -4.575 253 HA SER 37 HA SER 37 -0.007 12.107 -2.339 254 HB2 SER 37 1HB SER 37 1.832 11.918 -0.878 255 HB3 SER 37 2HB SER 37 1.845 10.403 -1.781 256 HG SER 37 HG SER 37 3.636 10.991 -2.777 257 H SER 38 H SER 38 0.417 13.232 -5.002 258 HA SER 38 HA SER 38 2.349 15.327 -4.818 259 HB2 SER 38 1HB SER 38 1.303 14.266 -6.941 260 HB3 SER 38 2HB SER 38 -0.027 15.389 -6.663 261 HG SER 38 HG SER 38 1.404 17.096 -6.864 262 H LYS 39 H LYS 39 -1.096 15.052 -4.170 263 HA LYS 39 HA LYS 39 -1.433 17.872 -3.690 264 HB2 LYS 39 1HB LYS 39 -3.221 15.482 -3.247 265 HB3 LYS 39 2HB LYS 39 -3.697 17.122 -2.826 266 HG2 LYS 39 1HG LYS 39 -2.731 16.630 -5.586 267 HG3 LYS 39 2HG LYS 39 -4.329 16.027 -5.144 268 HD2 LYS 39 1HD LYS 39 -4.896 18.121 -5.860 269 HD3 LYS 39 2HD LYS 39 -4.581 18.468 -4.158 270 HE2 LYS 39 1HE LYS 39 -2.416 19.320 -4.651 271 HE3 LYS 39 2HE LYS 39 -2.489 18.725 -6.309 272 HZ1 LYS 39 1HZ LYS 39 -3.952 20.996 -5.109 273 HZ2 LYS 39 2HZ LYS 39 -4.473 20.275 -6.547 274 HZ3 LYS 39 3HZ LYS 39 -2.942 20.992 -6.467 275 H ALA 40 H ALA 40 -0.331 15.199 -1.895 276 HA ALA 40 HA ALA 40 -1.123 16.093 0.703 277 HB1 ALA 40 1HB ALA 40 -0.714 13.809 0.599 278 HB2 ALA 40 2HB ALA 40 0.786 14.018 -0.304 279 HB3 ALA 40 3HB ALA 40 0.722 14.435 1.407 280 H GLY 41 H GLY 41 1.768 16.446 -1.294 281 HA2 GLY 41 1HA GLY 41 2.779 18.758 -0.845 282 HA3 GLY 41 2HA GLY 41 2.951 18.155 0.797 283 H LEU 42 H LEU 42 5.110 18.017 1.033 284 HA LEU 42 HA LEU 42 6.572 16.376 -0.932 285 HB2 LEU 42 1HB LEU 42 8.598 17.637 -0.227 286 HB3 LEU 42 2HB LEU 42 7.390 18.604 -1.070 287 HG LEU 42 HG LEU 42 8.610 19.581 1.002 288 HD11 LEU 42 1HD1 LEU 42 6.438 20.723 1.676 289 HD12 LEU 42 2HD1 LEU 42 5.660 19.709 0.461 290 HD13 LEU 42 3HD1 LEU 42 6.921 20.847 -0.016 291 HD21 LEU 42 1HD2 LEU 42 6.428 18.013 2.370 292 HD22 LEU 42 2HD2 LEU 42 7.570 19.127 3.121 293 HD23 LEU 42 3HD2 LEU 42 8.143 17.607 2.432 294 H ALA 43 H ALA 43 5.123 15.794 1.698 295 HA ALA 43 HA ALA 43 7.184 15.000 3.526 296 HB1 ALA 43 1HB ALA 43 5.105 13.662 4.470 297 HB2 ALA 43 2HB ALA 43 5.268 15.404 4.693 298 HB3 ALA 43 3HB ALA 43 4.226 14.771 3.418 299 HA PRO 44 HA PRO 44 8.204 11.032 1.939 300 HB2 PRO 44 1HB PRO 44 8.776 9.704 4.237 301 HB3 PRO 44 2HB PRO 44 9.834 10.946 3.558 302 HG2 PRO 44 1HG PRO 44 7.832 11.167 5.771 303 HG3 PRO 44 2HG PRO 44 9.471 11.837 5.675 304 HD2 PRO 44 1HD PRO 44 7.258 13.326 5.201 305 HD3 PRO 44 2HD PRO 44 8.800 13.619 4.373 306 H LEU 45 H LEU 45 7.625 8.723 2.052 307 HA LEU 45 HA LEU 45 4.931 8.286 3.158 308 HB2 LEU 45 1HB LEU 45 4.746 8.592 0.771 309 HB3 LEU 45 2HB LEU 45 6.012 7.400 0.487 310 HG LEU 45 HG LEU 45 4.388 5.747 1.639 311 HD11 LEU 45 1HD1 LEU 45 2.048 6.284 1.445 312 HD12 LEU 45 2HD1 LEU 45 2.430 7.869 0.772 313 HD13 LEU 45 3HD1 LEU 45 2.844 7.498 2.447 314 HD21 LEU 45 1HD2 LEU 45 3.173 5.440 -0.548 315 HD22 LEU 45 2HD2 LEU 45 4.934 5.481 -0.650 316 HD23 LEU 45 3HD2 LEU 45 3.989 6.898 -1.113 317 H GLU 46 H GLU 46 4.625 6.439 4.266 318 HA GLU 46 HA GLU 46 6.822 4.473 4.257 319 HB2 GLU 46 1HB GLU 46 6.449 5.925 6.361 320 HB3 GLU 46 2HB GLU 46 5.017 4.938 6.615 321 HG2 GLU 46 1HG GLU 46 6.241 3.026 7.025 322 HG3 GLU 46 2HG GLU 46 7.667 3.636 6.189 323 H VAL 47 H VAL 47 6.290 2.286 4.397 324 HA VAL 47 HA VAL 47 3.445 1.590 4.208 325 HB VAL 47 HB VAL 47 5.564 0.580 2.305 326 HG11 VAL 47 1HG1 VAL 47 4.096 -1.213 2.654 327 HG12 VAL 47 2HG1 VAL 47 2.684 -0.158 2.723 328 HG13 VAL 47 3HG1 VAL 47 3.505 -0.436 1.185 329 HG21 VAL 47 1HG2 VAL 47 5.016 2.256 0.955 330 HG22 VAL 47 2HG2 VAL 47 3.319 1.782 1.019 331 HG23 VAL 47 3HG2 VAL 47 3.966 2.909 2.211 332 H ARG 48 H ARG 48 2.927 -0.525 4.857 333 HA ARG 48 HA ARG 48 5.030 -2.271 5.820 334 HB2 ARG 48 1HB ARG 48 3.228 -0.723 7.622 335 HB3 ARG 48 2HB ARG 48 3.617 -2.379 8.064 336 HG2 ARG 48 1HG ARG 48 6.056 -1.715 7.773 337 HG3 ARG 48 2HG ARG 48 5.476 -0.049 7.748 338 HD2 ARG 48 1HD ARG 48 4.253 -0.712 9.937 339 HD3 ARG 48 2HD ARG 48 5.402 -2.049 9.973 340 HE ARG 48 HE ARG 48 6.667 0.489 9.591 341 HH11 ARG 48 1HH1 ARG 48 5.346 -1.686 11.967 342 HH12 ARG 48 2HH1 ARG 48 6.322 -1.073 13.261 343 HH21 ARG 48 1HH2 ARG 48 7.957 1.305 11.287 344 HH22 ARG 48 2HH2 ARG 48 7.806 0.629 12.873 345 H VAL 49 H VAL 49 4.448 -4.379 5.765 346 HA VAL 49 HA VAL 49 1.617 -4.974 5.193 347 HB VAL 49 HB VAL 49 4.080 -6.330 4.093 348 HG11 VAL 49 1HG1 VAL 49 2.633 -8.114 4.386 349 HG12 VAL 49 2HG1 VAL 49 1.197 -7.132 4.087 350 HG13 VAL 49 3HG1 VAL 49 2.253 -7.585 2.747 351 HG21 VAL 49 1HG2 VAL 49 2.556 -4.137 3.182 352 HG22 VAL 49 2HG2 VAL 49 3.852 -4.984 2.340 353 HG23 VAL 49 3HG2 VAL 49 2.179 -5.500 2.130 354 H LEU 50 H LEU 50 0.638 -6.300 6.572 355 HA LEU 50 HA LEU 50 2.300 -8.066 8.244 356 HB2 LEU 50 1HB LEU 50 -0.073 -6.383 8.990 357 HB3 LEU 50 2HB LEU 50 0.433 -7.763 9.962 358 HG LEU 50 HG LEU 50 1.234 -5.629 10.873 359 HD11 LEU 50 1HD1 LEU 50 3.435 -7.388 9.800 360 HD12 LEU 50 2HD1 LEU 50 2.504 -7.677 11.269 361 HD13 LEU 50 3HD1 LEU 50 3.564 -6.273 11.160 362 HD21 LEU 50 1HD2 LEU 50 3.104 -5.372 8.555 363 HD22 LEU 50 2HD2 LEU 50 2.612 -4.160 9.739 364 HD23 LEU 50 3HD2 LEU 50 1.490 -4.665 8.474 365 H GLY 51 H GLY 51 1.860 -10.151 8.000 366 HA2 GLY 51 1HA GLY 51 -0.138 -11.138 6.305 367 HA3 GLY 51 2HA GLY 51 0.765 -12.096 7.468 368 HA PRO 52 HA PRO 52 -3.772 -11.854 8.659 369 HB2 PRO 52 1HB PRO 52 -4.243 -14.526 8.567 370 HB3 PRO 52 2HB PRO 52 -4.439 -13.467 7.164 371 HG2 PRO 52 1HG PRO 52 -2.151 -15.260 7.878 372 HG3 PRO 52 2HG PRO 52 -2.922 -15.004 6.302 373 HD2 PRO 52 1HD PRO 52 -0.586 -13.820 6.990 374 HD3 PRO 52 2HD PRO 52 -1.768 -13.047 5.914 375 H ARG 53 H ARG 53 -1.452 -14.429 9.510 376 HA ARG 53 HA ARG 53 -2.486 -14.704 12.165 377 HB2 ARG 53 1HB ARG 53 0.193 -15.681 11.184 378 HB3 ARG 53 2HB ARG 53 -0.780 -16.330 12.497 379 HG2 ARG 53 1HG ARG 53 -1.377 -17.858 10.974 380 HG3 ARG 53 2HG ARG 53 -2.494 -16.605 10.427 381 HD2 ARG 53 1HD ARG 53 -1.499 -17.057 8.437 382 HD3 ARG 53 2HD ARG 53 -0.348 -15.863 9.038 383 HE ARG 53 HE ARG 53 1.227 -17.514 9.188 384 HH11 ARG 53 1HH1 ARG 53 -1.922 -18.972 8.902 385 HH12 ARG 53 2HH1 ARG 53 -1.304 -20.580 8.727 386 HH21 ARG 53 1HH2 ARG 53 2.052 -19.628 8.959 387 HH22 ARG 53 2HH2 ARG 53 0.956 -20.953 8.761 388 H GLY 54 H GLY 54 0.237 -13.031 10.682 389 HA2 GLY 54 1HA GLY 54 0.601 -10.877 12.093 390 HA3 GLY 54 2HA GLY 54 1.076 -12.043 13.319 391 H LEU 55 H LEU 55 1.742 -12.396 9.889 392 HA LEU 55 HA LEU 55 4.572 -12.597 10.470 393 HB2 LEU 55 1HB LEU 55 3.778 -14.235 8.986 394 HB3 LEU 55 2HB LEU 55 2.895 -13.052 8.024 395 HG LEU 55 HG LEU 55 5.254 -12.129 7.453 396 HD11 LEU 55 1HD1 LEU 55 5.981 -14.965 8.157 397 HD12 LEU 55 2HD1 LEU 55 6.383 -13.567 9.153 398 HD13 LEU 55 3HD1 LEU 55 7.043 -13.706 7.523 399 HD21 LEU 55 1HD2 LEU 55 4.590 -12.947 5.501 400 HD22 LEU 55 2HD2 LEU 55 3.573 -14.141 6.306 401 HD23 LEU 55 3HD2 LEU 55 5.263 -14.512 5.958 402 H VAL 56 H VAL 56 6.193 -11.313 9.560 403 HA VAL 56 HA VAL 56 5.279 -8.654 8.691 404 HB VAL 56 HB VAL 56 7.908 -9.458 9.945 405 HG11 VAL 56 1HG1 VAL 56 8.113 -7.608 8.320 406 HG12 VAL 56 2HG1 VAL 56 6.903 -6.704 9.233 407 HG13 VAL 56 3HG1 VAL 56 8.452 -7.105 9.976 408 HG21 VAL 56 1HG2 VAL 56 6.710 -9.343 11.832 409 HG22 VAL 56 2HG2 VAL 56 6.725 -7.599 11.576 410 HG23 VAL 56 3HG2 VAL 56 5.350 -8.559 11.030 411 H GLU 57 H GLU 57 5.671 -8.027 6.674 412 HA GLU 57 HA GLU 57 7.835 -9.350 5.180 413 HB2 GLU 57 1HB GLU 57 5.108 -8.613 4.103 414 HB3 GLU 57 2HB GLU 57 6.430 -9.294 3.166 415 HG2 GLU 57 1HG GLU 57 5.435 -10.766 5.555 416 HG3 GLU 57 2HG GLU 57 4.501 -10.807 4.060 417 HA PRO 58 HA PRO 58 9.224 -5.252 4.350 418 HB2 PRO 58 1HB PRO 58 10.804 -5.786 2.209 419 HB3 PRO 58 2HB PRO 58 11.256 -6.207 3.865 420 HG2 PRO 58 1HG PRO 58 10.079 -7.938 1.725 421 HG3 PRO 58 2HG PRO 58 11.388 -8.302 2.864 422 HD2 PRO 58 1HD PRO 58 8.853 -9.178 3.231 423 HD3 PRO 58 2HD PRO 58 9.929 -8.776 4.585 424 H VAL 59 H VAL 59 9.333 -3.664 2.549 425 HA VAL 59 HA VAL 59 7.473 -4.210 0.352 426 HB VAL 59 HB VAL 59 7.269 -1.750 2.093 427 HG11 VAL 59 1HG1 VAL 59 6.713 -1.383 -0.273 428 HG12 VAL 59 2HG1 VAL 59 5.530 -2.690 -0.187 429 HG13 VAL 59 3HG1 VAL 59 5.301 -1.227 0.772 430 HG21 VAL 59 1HG2 VAL 59 6.146 -3.119 3.471 431 HG22 VAL 59 2HG2 VAL 59 4.861 -3.020 2.265 432 HG23 VAL 59 3HG2 VAL 59 5.985 -4.379 2.246 433 H ASN 60 H ASN 60 7.764 -2.912 -1.487 434 HA ASN 60 HA ASN 60 10.400 -1.639 -1.615 435 HB2 ASN 60 1HB ASN 60 9.998 -3.383 -3.263 436 HB3 ASN 60 2HB ASN 60 8.533 -2.570 -3.808 437 HD21 ASN 60 1HD2 ASN 60 8.682 -0.841 -5.170 438 HD22 ASN 60 2HD2 ASN 60 10.161 -0.334 -5.905 439 H VAL 61 H VAL 61 10.697 0.468 -2.175 440 HA VAL 61 HA VAL 61 8.308 2.077 -2.771 441 HB VAL 61 HB VAL 61 8.636 2.573 -0.500 442 HG11 VAL 61 1HG1 VAL 61 10.810 3.085 0.497 443 HG12 VAL 61 2HG1 VAL 61 10.799 1.475 -0.226 444 HG13 VAL 61 3HG1 VAL 61 11.591 2.812 -1.061 445 HG21 VAL 61 1HG2 VAL 61 8.645 4.526 -2.215 446 HG22 VAL 61 2HG2 VAL 61 9.000 4.858 -0.520 447 HG23 VAL 61 3HG2 VAL 61 10.314 4.743 -1.690 448 H VAL 62 H VAL 62 8.546 3.232 -4.562 449 HA VAL 62 HA VAL 62 11.185 4.286 -5.266 450 HB VAL 62 HB VAL 62 9.453 2.754 -7.213 451 HG11 VAL 62 1HG1 VAL 62 10.727 4.748 -8.097 452 HG12 VAL 62 2HG1 VAL 62 12.205 3.880 -7.677 453 HG13 VAL 62 3HG1 VAL 62 11.089 3.201 -8.863 454 HG21 VAL 62 1HG2 VAL 62 10.799 1.453 -5.461 455 HG22 VAL 62 2HG2 VAL 62 11.016 1.015 -7.154 456 HG23 VAL 62 3HG2 VAL 62 12.225 2.006 -6.339 457 H ASP 63 H ASP 63 11.088 6.335 -5.928 458 HA ASP 63 HA ASP 63 8.490 7.585 -6.239 459 HB2 ASP 63 1HB ASP 63 9.933 8.877 -4.915 460 HB3 ASP 63 2HB ASP 63 11.304 8.612 -5.989 461 H ASN 64 H ASN 64 7.595 8.237 -8.102 462 HA ASN 64 HA ASN 64 8.731 7.382 -10.578 463 HB2 ASN 64 1HB ASN 64 6.275 9.029 -9.944 464 HB3 ASN 64 2HB ASN 64 6.712 8.511 -11.569 465 HD21 ASN 64 1HD2 ASN 64 6.063 7.277 -8.323 466 HD22 ASN 64 2HD2 ASN 64 5.356 5.788 -8.840 467 H GLY 65 H GLY 65 8.064 10.569 -9.141 468 HA2 GLY 65 1HA GLY 65 9.852 12.252 -9.411 469 HA3 GLY 65 2HA GLY 65 9.983 11.711 -11.079 470 H ASP 66 H ASP 66 6.937 11.489 -11.078 471 HA ASP 66 HA ASP 66 6.488 14.243 -11.910 472 HB2 ASP 66 1HB ASP 66 4.784 11.761 -12.209 473 HB3 ASP 66 2HB ASP 66 4.364 13.349 -12.848 474 H GLY 67 H GLY 67 5.119 11.862 -9.664 475 HA2 GLY 67 1HA GLY 67 4.565 13.516 -7.574 476 HA3 GLY 67 2HA GLY 67 3.175 13.717 -8.631 477 H THR 68 H THR 68 4.954 10.715 -8.285 478 HA THR 68 HA THR 68 2.961 9.596 -6.494 479 HB THR 68 HB THR 68 2.349 7.753 -7.957 480 HG1 THR 68 1HG THR 68 4.241 8.967 -9.648 481 HG21 THR 68 1HG2 THR 68 1.083 9.945 -8.010 482 HG22 THR 68 2HG2 THR 68 0.879 8.907 -9.421 483 HG23 THR 68 3HG2 THR 68 1.948 10.307 -9.504 484 H HIS 69 H HIS 69 3.465 7.093 -6.306 485 HA HIS 69 HA HIS 69 6.317 6.545 -6.524 486 HB2 HIS 69 1HB HIS 69 4.909 6.267 -3.867 487 HB3 HIS 69 2HB HIS 69 6.622 6.033 -4.201 488 HD1 HIS 69 1HD HIS 69 7.959 7.911 -3.342 489 HD2 HIS 69 2HD HIS 69 4.226 9.168 -4.663 490 HE1 HIS 69 1HE HIS 69 7.909 10.395 -2.953 491 HE2 HIS 69 2HE HIS 69 5.610 11.121 -3.680 492 H THR 70 H THR 70 6.696 4.478 -7.032 493 HA THR 70 HA THR 70 4.428 2.659 -7.165 494 HB THR 70 HB THR 70 7.233 2.478 -8.267 495 HG1 THR 70 1HG THR 70 4.767 2.478 -9.673 496 HG21 THR 70 1HG2 THR 70 6.477 0.411 -9.395 497 HG22 THR 70 2HG2 THR 70 4.987 0.467 -8.454 498 HG23 THR 70 3HG2 THR 70 6.536 0.240 -7.641 499 H VAL 71 H VAL 71 4.216 0.794 -6.024 500 HA VAL 71 HA VAL 71 6.373 0.083 -4.151 501 HB VAL 71 HB VAL 71 3.428 0.078 -3.477 502 HG11 VAL 71 1HG1 VAL 71 3.915 -0.974 -1.546 503 HG12 VAL 71 2HG1 VAL 71 5.327 -1.541 -2.440 504 HG13 VAL 71 3HG1 VAL 71 5.463 -0.149 -1.364 505 HG21 VAL 71 1HG2 VAL 71 5.557 1.863 -2.323 506 HG22 VAL 71 2HG2 VAL 71 4.526 2.345 -3.669 507 HG23 VAL 71 3HG2 VAL 71 3.811 1.969 -2.102 508 H THR 72 H THR 72 7.082 -1.842 -4.792 509 HA THR 72 HA THR 72 5.172 -3.797 -5.860 510 HB THR 72 HB THR 72 7.187 -5.047 -6.615 511 HG1 THR 72 1HG THR 72 8.853 -2.870 -6.276 512 HG21 THR 72 1HG2 THR 72 7.882 -3.373 -8.352 513 HG22 THR 72 2HG2 THR 72 6.910 -2.174 -7.498 514 HG23 THR 72 3HG2 THR 72 6.139 -3.596 -8.204 515 H TYR 73 H TYR 73 4.983 -5.865 -5.021 516 HA TYR 73 HA TYR 73 6.602 -6.807 -2.864 517 HB2 TYR 73 1HB TYR 73 5.172 -6.593 -1.046 518 HB3 TYR 73 2HB TYR 73 4.935 -5.059 -1.875 519 HD1 TYR 73 1HD TYR 73 2.877 -4.686 -3.215 520 HD2 TYR 73 2HD TYR 73 3.396 -8.169 -0.826 521 HE1 TYR 73 1HE TYR 73 0.460 -5.120 -3.333 522 HE2 TYR 73 2HE TYR 73 0.980 -8.613 -0.938 523 HH TYR 73 HH TYR 73 -1.256 -6.305 -2.187 524 H THR 74 H THR 74 5.649 -8.874 -1.930 525 HA THR 74 HA THR 74 3.799 -10.236 -3.726 526 HB THR 74 HB THR 74 6.577 -11.299 -3.175 527 HG1 THR 74 1HG THR 74 5.407 -10.655 -5.685 528 HG21 THR 74 1HG2 THR 74 5.937 -13.171 -4.605 529 HG22 THR 74 2HG2 THR 74 4.316 -12.499 -4.779 530 HG23 THR 74 3HG2 THR 74 4.872 -13.068 -3.205 531 HA PRO 75 HA PRO 75 2.645 -11.546 0.405 532 HB2 PRO 75 1HB PRO 75 0.319 -12.720 -0.360 533 HB3 PRO 75 2HB PRO 75 0.492 -10.973 -0.161 534 HG2 PRO 75 1HG PRO 75 0.574 -12.613 -2.664 535 HG3 PRO 75 2HG PRO 75 -0.231 -11.061 -2.369 536 HD2 PRO 75 1HD PRO 75 2.146 -11.248 -3.652 537 HD3 PRO 75 2HD PRO 75 1.716 -9.856 -2.637 538 H SER 76 H SER 76 4.272 -13.109 0.693 539 HA SER 76 HA SER 76 4.865 -15.402 -0.522 540 HB2 SER 76 1HB SER 76 5.765 -14.577 1.703 541 HB3 SER 76 2HB SER 76 4.392 -15.384 2.462 542 HG SER 76 HG SER 76 6.033 -16.846 2.474 543 H GLN 77 H GLN 77 2.295 -15.296 1.954 544 HA GLN 77 HA GLN 77 1.050 -17.604 0.610 545 HB2 GLN 77 1HB GLN 77 0.080 -18.184 2.809 546 HB3 GLN 77 2HB GLN 77 1.838 -18.213 2.820 547 HG2 GLN 77 1HG GLN 77 1.721 -15.861 3.762 548 HG3 GLN 77 2HG GLN 77 0.004 -16.168 4.020 549 HE21 GLN 77 1HE2 GLN 77 0.691 -15.739 6.271 550 HE22 GLN 77 2HE2 GLN 77 1.260 -17.071 7.211 551 H GLU 78 H GLU 78 -1.364 -17.741 1.061 552 HA GLU 78 HA GLU 78 -2.529 -15.169 0.371 553 HB2 GLU 78 1HB GLU 78 -4.542 -16.451 -0.168 554 HB3 GLU 78 2HB GLU 78 -3.129 -17.130 -0.965 555 HG2 GLU 78 1HG GLU 78 -3.991 -18.234 1.663 556 HG3 GLU 78 2HG GLU 78 -4.873 -18.677 0.202 557 H GLY 79 H GLY 79 -4.761 -14.704 1.325 558 HA2 GLY 79 1HA GLY 79 -6.128 -15.244 3.383 559 HA3 GLY 79 2HA GLY 79 -4.603 -15.115 4.245 560 HA PRO 80 HA PRO 80 -6.858 -10.982 4.115 561 HB2 PRO 80 1HB PRO 80 -7.206 -10.735 6.797 562 HB3 PRO 80 2HB PRO 80 -8.384 -11.529 5.744 563 HG2 PRO 80 1HG PRO 80 -6.278 -12.748 7.489 564 HG3 PRO 80 2HG PRO 80 -7.962 -13.248 7.252 565 HD2 PRO 80 1HD PRO 80 -5.889 -14.479 6.021 566 HD3 PRO 80 2HD PRO 80 -7.493 -14.333 5.274 567 H TYR 81 H TYR 81 -4.861 -10.091 3.477 568 HA TYR 81 HA TYR 81 -2.780 -9.728 5.470 569 HB2 TYR 81 1HB TYR 81 -3.011 -9.338 2.532 570 HB3 TYR 81 2HB TYR 81 -1.852 -8.327 3.388 571 HD1 TYR 81 1HD TYR 81 -2.824 -11.892 3.916 572 HD2 TYR 81 2HD TYR 81 0.257 -9.147 2.878 573 HE1 TYR 81 1HE TYR 81 -1.197 -13.737 3.884 574 HE2 TYR 81 2HE TYR 81 1.891 -10.984 2.842 575 HH TYR 81 HH TYR 81 0.995 -14.240 2.848 576 H MET 82 H MET 82 -1.746 -7.445 5.471 577 HA MET 82 HA MET 82 -3.741 -5.319 5.347 578 HB2 MET 82 1HB MET 82 -3.870 -6.243 7.640 579 HB3 MET 82 2HB MET 82 -2.155 -5.915 7.852 580 HG2 MET 82 1HG MET 82 -2.526 -3.553 7.685 581 HG3 MET 82 2HG MET 82 -4.219 -3.807 7.267 582 HE1 MET 82 1HE MET 82 -2.233 -2.369 9.628 583 HE2 MET 82 2HE MET 82 -2.685 -2.878 11.256 584 HE3 MET 82 3HE MET 82 -1.570 -3.859 10.302 585 H VAL 83 H VAL 83 -2.843 -3.733 4.222 586 HA VAL 83 HA VAL 83 0.070 -3.347 4.392 587 HB VAL 83 HB VAL 83 -1.862 -2.554 2.212 588 HG11 VAL 83 1HG1 VAL 83 -0.380 -0.882 1.900 589 HG12 VAL 83 2HG1 VAL 83 0.893 -1.697 2.812 590 HG13 VAL 83 3HG1 VAL 83 0.575 -2.153 1.137 591 HG21 VAL 83 1HG2 VAL 83 -1.151 -4.981 2.440 592 HG22 VAL 83 2HG2 VAL 83 -0.851 -4.216 0.879 593 HG23 VAL 83 3HG2 VAL 83 0.474 -4.437 2.022 594 H SER 84 H SER 84 0.246 -1.964 6.114 595 HA SER 84 HA SER 84 -1.445 0.352 6.369 596 HB2 SER 84 1HB SER 84 -0.399 -0.962 8.295 597 HB3 SER 84 2HB SER 84 1.116 -0.160 7.883 598 HG SER 84 HG SER 84 -1.310 1.174 8.513 599 H VAL 85 H VAL 85 -0.843 2.510 6.136 600 HA VAL 85 HA VAL 85 1.753 3.085 4.917 601 HB VAL 85 HB VAL 85 -0.879 3.894 3.673 602 HG11 VAL 85 1HG1 VAL 85 1.123 4.561 1.913 603 HG12 VAL 85 2HG1 VAL 85 0.259 5.683 2.964 604 HG13 VAL 85 3HG1 VAL 85 1.806 5.008 3.475 605 HG21 VAL 85 1HG2 VAL 85 0.511 2.665 1.717 606 HG22 VAL 85 2HG2 VAL 85 1.079 1.760 3.121 607 HG23 VAL 85 3HG2 VAL 85 -0.646 1.841 2.764 608 H LYS 86 H LYS 86 2.601 4.980 5.558 609 HA LYS 86 HA LYS 86 0.847 6.836 7.028 610 HB2 LYS 86 1HB LYS 86 2.714 5.394 8.254 611 HB3 LYS 86 2HB LYS 86 3.754 6.687 7.671 612 HG2 LYS 86 1HG LYS 86 2.609 8.316 8.915 613 HG3 LYS 86 2HG LYS 86 1.248 7.236 9.227 614 HD2 LYS 86 1HD LYS 86 2.933 5.762 10.464 615 HD3 LYS 86 2HD LYS 86 4.012 7.157 10.405 616 HE2 LYS 86 1HE LYS 86 2.302 8.505 11.547 617 HE3 LYS 86 2HE LYS 86 1.257 7.087 11.634 618 HZ1 LYS 86 1HZ LYS 86 3.299 6.045 12.811 619 HZ2 LYS 86 2HZ LYS 86 2.266 7.063 13.679 620 HZ3 LYS 86 3HZ LYS 86 3.742 7.652 13.100 621 H TYR 87 H TYR 87 1.850 9.074 7.204 622 HA TYR 87 HA TYR 87 3.620 9.835 5.048 623 HB2 TYR 87 1HB TYR 87 1.132 9.694 4.215 624 HB3 TYR 87 2HB TYR 87 0.968 11.227 5.064 625 HD1 TYR 87 1HD TYR 87 2.912 9.509 2.405 626 HD2 TYR 87 2HD TYR 87 1.690 13.229 4.071 627 HE1 TYR 87 1HE TYR 87 3.844 10.682 0.455 628 HE2 TYR 87 2HE TYR 87 2.617 14.412 2.124 629 HH TYR 87 HH TYR 87 3.097 13.713 -0.398 630 H ALA 88 H ALA 88 5.011 10.985 6.230 631 HA ALA 88 HA ALA 88 5.872 12.672 7.494 632 HB1 ALA 88 1HB ALA 88 3.955 13.881 6.089 633 HB2 ALA 88 2HB ALA 88 3.301 14.122 7.709 634 HB3 ALA 88 3HB ALA 88 4.913 14.718 7.312 635 H ASP 89 H ASP 89 4.980 10.397 8.819 636 HA ASP 89 HA ASP 89 4.588 9.613 10.918 637 HB2 ASP 89 1HB ASP 89 5.109 12.518 11.518 638 HB3 ASP 89 2HB ASP 89 4.712 11.372 12.794 639 H GLU 90 H GLU 90 2.376 10.298 9.230 640 HA GLU 90 HA GLU 90 0.320 10.499 11.286 641 HB2 GLU 90 1HB GLU 90 0.458 12.319 8.880 642 HB3 GLU 90 2HB GLU 90 -0.983 12.109 9.864 643 HG2 GLU 90 1HG GLU 90 0.467 12.816 11.836 644 HG3 GLU 90 2HG GLU 90 1.635 13.350 10.629 645 H GLU 91 H GLU 91 -0.579 8.548 11.006 646 HA GLU 91 HA GLU 91 -0.677 7.015 8.720 647 HB2 GLU 91 1HB GLU 91 -2.225 7.100 11.245 648 HB3 GLU 91 2HB GLU 91 -2.956 6.215 9.914 649 HG2 GLU 91 1HG GLU 91 -1.315 4.614 9.891 650 HG3 GLU 91 2HG GLU 91 -0.113 5.683 10.611 651 H ILE 92 H ILE 92 -1.505 7.467 6.798 652 HA ILE 92 HA ILE 92 -3.233 9.540 6.183 653 HB ILE 92 HB ILE 92 -3.605 8.452 4.027 654 HG12 ILE 92 1HG1 ILE 92 -2.047 6.094 5.083 655 HG13 ILE 92 2HG1 ILE 92 -3.806 6.131 5.061 656 HG21 ILE 92 1HG2 ILE 92 -0.911 8.686 5.221 657 HG22 ILE 92 2HG2 ILE 92 -1.023 7.877 3.658 658 HG23 ILE 92 3HG2 ILE 92 -1.620 9.527 3.842 659 HD11 ILE 92 1HD1 ILE 92 -1.946 5.560 2.936 660 HD12 ILE 92 2HD1 ILE 92 -3.686 5.280 3.023 661 HD13 ILE 92 3HD1 ILE 92 -3.070 6.844 2.487 662 HA PRO 93 HA PRO 93 -7.282 8.251 7.288 663 HB2 PRO 93 1HB PRO 93 -8.750 9.435 5.336 664 HB3 PRO 93 2HB PRO 93 -7.988 10.342 6.648 665 HG2 PRO 93 1HG PRO 93 -7.054 9.939 3.833 666 HG3 PRO 93 2HG PRO 93 -7.047 11.416 4.814 667 HD2 PRO 93 1HD PRO 93 -4.833 9.901 4.447 668 HD3 PRO 93 2HD PRO 93 -5.132 10.808 5.943 669 H ARG 94 H ARG 94 -5.661 6.925 4.786 670 HA ARG 94 HA ARG 94 -7.950 5.259 3.969 671 HB2 ARG 94 1HB ARG 94 -5.518 6.124 2.409 672 HB3 ARG 94 2HB ARG 94 -6.549 4.795 1.896 673 HG2 ARG 94 1HG ARG 94 -7.774 7.447 2.481 674 HG3 ARG 94 2HG ARG 94 -6.919 7.197 0.958 675 HD2 ARG 94 1HD ARG 94 -8.908 5.157 1.804 676 HD3 ARG 94 2HD ARG 94 -9.510 6.704 1.211 677 HE ARG 94 HE ARG 94 -7.765 6.018 -0.703 678 HH11 ARG 94 1HH1 ARG 94 -10.315 4.237 0.861 679 HH12 ARG 94 2HH1 ARG 94 -10.649 3.247 -0.520 680 HH21 ARG 94 1HH2 ARG 94 -8.196 4.721 -2.530 681 HH22 ARG 94 2HH2 ARG 94 -9.442 3.523 -2.449 682 H SER 95 H SER 95 -5.406 5.242 5.948 683 HA SER 95 HA SER 95 -4.798 2.400 5.455 684 HB2 SER 95 1HB SER 95 -2.697 3.282 5.219 685 HB3 SER 95 2HB SER 95 -3.061 4.689 6.218 686 HG SER 95 HG SER 95 -2.483 3.619 7.964 687 HA PRO 96 HA PRO 96 -3.356 0.993 6.709 688 HB2 PRO 96 1HB PRO 96 -4.247 -1.449 7.491 689 HB3 PRO 96 2HB PRO 96 -3.137 -0.475 8.463 690 HG2 PRO 96 1HG PRO 96 -6.101 -0.802 8.731 691 HG3 PRO 96 2HG PRO 96 -4.858 -0.778 9.996 692 HD2 PRO 96 1HD PRO 96 -6.400 1.374 9.427 693 HD3 PRO 96 2HD PRO 96 -4.726 1.524 9.998 694 H PHE 97 H PHE 97 -3.734 -0.955 5.204 695 HA PHE 97 HA PHE 97 -6.305 -0.576 3.818 696 HB2 PHE 97 1HB PHE 97 -3.554 -1.163 2.724 697 HB3 PHE 97 2HB PHE 97 -5.019 -1.339 1.764 698 HD1 PHE 97 2HD PHE 97 -2.928 1.083 3.605 699 HD2 PHE 97 1HD PHE 97 -6.080 0.530 0.799 700 HE1 PHE 97 2HE PHE 97 -2.833 3.474 3.032 701 HE2 PHE 97 1HE PHE 97 -5.989 2.919 0.220 702 HZ PHE 97 HZ PHE 97 -4.365 4.396 1.338 703 H LYS 98 H LYS 98 -7.613 -2.270 3.816 704 HA LYS 98 HA LYS 98 -6.691 -4.845 4.727 705 HB2 LYS 98 1HB LYS 98 -9.054 -5.505 4.547 706 HB3 LYS 98 2HB LYS 98 -8.860 -4.016 5.464 707 HG2 LYS 98 1HG LYS 98 -9.287 -2.922 3.098 708 HG3 LYS 98 2HG LYS 98 -10.096 -4.463 2.804 709 HD2 LYS 98 1HD LYS 98 -11.624 -4.114 4.564 710 HD3 LYS 98 2HD LYS 98 -10.661 -2.801 5.246 711 HE2 LYS 98 1HE LYS 98 -12.385 -1.670 4.189 712 HE3 LYS 98 2HE LYS 98 -11.101 -1.627 2.982 713 HZ1 LYS 98 1HZ LYS 98 -12.786 -2.350 1.682 714 HZ2 LYS 98 2HZ LYS 98 -13.630 -3.078 2.953 715 HZ3 LYS 98 3HZ LYS 98 -12.298 -3.861 2.266 716 H VAL 99 H VAL 99 -5.593 -6.076 3.337 717 HA VAL 99 HA VAL 99 -6.658 -6.360 0.600 718 HB VAL 99 HB VAL 99 -3.784 -6.656 1.486 719 HG11 VAL 99 1HG1 VAL 99 -3.277 -7.513 -0.525 720 HG12 VAL 99 2HG1 VAL 99 -4.992 -7.921 -0.603 721 HG13 VAL 99 3HG1 VAL 99 -4.400 -6.447 -1.370 722 HG21 VAL 99 1HG2 VAL 99 -3.539 -4.480 1.126 723 HG22 VAL 99 2HG2 VAL 99 -4.180 -4.657 -0.508 724 HG23 VAL 99 3HG2 VAL 99 -5.275 -4.342 0.839 725 H LYS 100 H LYS 100 -7.781 -8.207 0.582 726 HA LYS 100 HA LYS 100 -6.882 -10.506 2.119 727 HB2 LYS 100 1HB LYS 100 -9.291 -9.833 2.024 728 HB3 LYS 100 2HB LYS 100 -9.295 -10.257 0.317 729 HG2 LYS 100 1HG LYS 100 -8.799 -12.564 0.855 730 HG3 LYS 100 2HG LYS 100 -8.688 -12.162 2.570 731 HD2 LYS 100 1HD LYS 100 -10.841 -13.095 2.240 732 HD3 LYS 100 2HD LYS 100 -11.076 -11.354 2.410 733 HE2 LYS 100 1HE LYS 100 -10.714 -12.522 -0.312 734 HE3 LYS 100 2HE LYS 100 -12.272 -12.690 0.496 735 HZ1 LYS 100 1HZ LYS 100 -11.303 -10.485 -0.892 736 HZ2 LYS 100 2HZ LYS 100 -11.381 -10.032 0.736 737 HZ3 LYS 100 3HZ LYS 100 -12.763 -10.616 -0.047 738 H VAL 101 H VAL 101 -5.132 -11.411 1.152 739 HA VAL 101 HA VAL 101 -4.769 -11.660 -1.639 740 HB VAL 101 HB VAL 101 -3.505 -13.319 0.547 741 HG11 VAL 101 1HG1 VAL 101 -1.671 -13.577 -1.112 742 HG12 VAL 101 2HG1 VAL 101 -3.183 -14.345 -1.598 743 HG13 VAL 101 3HG1 VAL 101 -2.705 -12.805 -2.313 744 HG21 VAL 101 1HG2 VAL 101 -1.865 -11.705 0.803 745 HG22 VAL 101 2HG2 VAL 101 -2.221 -10.948 -0.751 746 HG23 VAL 101 3HG2 VAL 101 -3.322 -10.729 0.610 747 H LEU 102 H LEU 102 -4.884 -13.505 -2.972 748 HA LEU 102 HA LEU 102 -6.726 -15.590 -2.000 749 HB2 LEU 102 1HB LEU 102 -6.512 -14.297 -4.706 750 HB3 LEU 102 2HB LEU 102 -7.391 -15.799 -4.431 751 HG LEU 102 HG LEU 102 -8.047 -13.214 -3.030 752 HD11 LEU 102 1HD1 LEU 102 -9.962 -13.119 -4.636 753 HD12 LEU 102 2HD1 LEU 102 -9.150 -14.366 -5.583 754 HD13 LEU 102 3HD1 LEU 102 -8.381 -12.795 -5.349 755 HD21 LEU 102 1HD2 LEU 102 -10.236 -14.990 -3.340 756 HD22 LEU 102 2HD2 LEU 102 -9.451 -14.462 -1.851 757 HD23 LEU 102 3HD2 LEU 102 -8.878 -15.907 -2.687 758 HA PRO 103 HA PRO 103 -3.756 -18.647 -3.050 759 HB2 PRO 103 1HB PRO 103 -5.357 -20.695 -3.834 760 HB3 PRO 103 2HB PRO 103 -5.199 -20.191 -2.146 761 HG2 PRO 103 1HG PRO 103 -7.347 -19.535 -4.126 762 HG3 PRO 103 2HG PRO 103 -7.500 -19.985 -2.417 763 HD2 PRO 103 1HD PRO 103 -7.660 -17.420 -3.270 764 HD3 PRO 103 2HD PRO 103 -6.994 -17.859 -1.684 765 H THR 104 H THR 104 -2.474 -18.515 -4.776 766 HA THR 104 HA THR 104 -2.967 -17.664 -7.281 767 HB THR 104 HB THR 104 -1.100 -19.934 -6.569 768 HG1 THR 104 1HG THR 104 -0.725 -17.925 -5.469 769 HG21 THR 104 1HG2 THR 104 -1.651 -19.684 -9.023 770 HG22 THR 104 2HG2 THR 104 0.055 -19.515 -8.605 771 HG23 THR 104 3HG2 THR 104 -0.918 -18.082 -8.939 772 H TYR 105 H TYR 105 -3.875 -20.755 -5.980 773 HA TYR 105 HA TYR 105 -4.496 -21.914 -8.550 774 HB2 TYR 105 1HB TYR 105 -4.879 -22.814 -5.703 775 HB3 TYR 105 2HB TYR 105 -5.573 -23.706 -7.051 776 HD1 TYR 105 1HD TYR 105 -2.257 -22.075 -6.456 777 HD2 TYR 105 2HD TYR 105 -4.371 -25.623 -7.482 778 HE1 TYR 105 1HE TYR 105 -0.120 -23.251 -6.767 779 HE2 TYR 105 2HE TYR 105 -2.239 -26.808 -7.796 780 HH TYR 105 HH TYR 105 0.866 -25.196 -7.195 781 H ASP 106 H ASP 106 -5.794 -19.449 -8.117 782 HA ASP 106 HA ASP 106 -7.865 -18.444 -7.930 783 HB2 ASP 106 1HB ASP 106 -8.854 -20.745 -9.583 784 HB3 ASP 106 2HB ASP 106 -9.211 -19.027 -9.743 785 H ALA 107 H ALA 107 -7.336 -20.400 -5.811 786 HA ALA 107 HA ALA 107 -8.405 -21.627 -4.198 787 HB1 ALA 107 1HB ALA 107 -9.319 -19.816 -3.230 788 HB2 ALA 107 2HB ALA 107 -9.993 -19.216 -4.746 789 HB3 ALA 107 3HB ALA 107 -10.833 -20.479 -3.848 790 H SER 108 H SER 108 -8.544 -23.035 -6.487 791 HA SER 108 HA SER 108 -11.310 -23.770 -7.007 792 HB2 SER 108 1HB SER 108 -9.729 -23.619 -8.891 793 HB3 SER 108 2HB SER 108 -8.739 -24.884 -8.161 794 HG SER 108 HG SER 108 -11.177 -25.838 -8.273 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -6.145 37.112 8.782 2 HA2 GLY 1 1HA GLY 1 -7.073 39.330 7.259 3 HA3 GLY 1 2HA GLY 1 -5.786 39.360 8.456 4 H SER 2 H SER 2 -6.312 37.966 5.213 5 HA SER 2 HA SER 2 -4.965 37.856 3.380 6 HB2 SER 2 1HB SER 2 -4.312 40.571 4.499 7 HB3 SER 2 2HB SER 2 -3.509 39.976 3.046 8 HG SER 2 HG SER 2 -5.263 40.971 2.262 9 H SER 3 H SER 3 -4.027 36.357 5.469 10 HA SER 3 HA SER 3 -1.150 36.444 4.973 11 HB2 SER 3 1HB SER 3 -0.544 36.279 7.285 12 HB3 SER 3 2HB SER 3 -1.637 37.656 7.138 13 HG SER 3 HG SER 3 -3.014 36.666 8.377 14 H GLY 4 H GLY 4 -0.187 34.455 4.896 15 HA2 GLY 4 1HA GLY 4 -1.312 32.099 6.021 16 HA3 GLY 4 2HA GLY 4 -1.704 32.209 4.311 17 H SER 5 H SER 5 0.039 30.347 5.890 18 HA SER 5 HA SER 5 2.742 30.863 5.191 19 HB2 SER 5 1HB SER 5 1.455 28.192 5.800 20 HB3 SER 5 2HB SER 5 3.174 28.578 5.890 21 HG SER 5 HG SER 5 1.164 29.081 7.685 22 H SER 6 H SER 6 3.998 29.252 3.810 23 HA SER 6 HA SER 6 2.496 28.678 1.341 24 HB2 SER 6 1HB SER 6 5.334 29.708 1.576 25 HB3 SER 6 2HB SER 6 4.540 29.251 0.069 26 HG SER 6 HG SER 6 3.408 31.046 0.107 27 H GLY 7 H GLY 7 2.409 26.570 0.966 28 HA2 GLY 7 1HA GLY 7 3.296 24.461 0.476 29 HA3 GLY 7 2HA GLY 7 4.817 24.958 1.201 30 H VAL 8 H VAL 8 1.641 23.640 1.797 31 HA VAL 8 HA VAL 8 2.482 22.955 4.538 32 HB VAL 8 HB VAL 8 0.109 22.771 5.122 33 HG11 VAL 8 1HG1 VAL 8 0.740 25.427 3.838 34 HG12 VAL 8 2HG1 VAL 8 -0.414 25.132 5.141 35 HG13 VAL 8 3HG1 VAL 8 1.313 24.906 5.421 36 HG21 VAL 8 1HG2 VAL 8 -1.596 23.637 3.543 37 HG22 VAL 8 2HG2 VAL 8 -0.357 23.700 2.290 38 HG23 VAL 8 3HG2 VAL 8 -0.825 22.151 2.989 39 H VAL 9 H VAL 9 1.917 20.869 5.339 40 HA VAL 9 HA VAL 9 1.777 18.850 3.214 41 HB VAL 9 HB VAL 9 2.666 18.629 6.092 42 HG11 VAL 9 1HG1 VAL 9 2.139 16.550 4.013 43 HG12 VAL 9 2HG1 VAL 9 3.426 16.303 5.195 44 HG13 VAL 9 3HG1 VAL 9 1.763 16.536 5.736 45 HG21 VAL 9 1HG2 VAL 9 4.110 19.702 4.192 46 HG22 VAL 9 2HG2 VAL 9 4.836 18.565 5.326 47 HG23 VAL 9 3HG2 VAL 9 4.367 18.024 3.716 48 H ASP 10 H ASP 10 0.076 17.536 2.993 49 HA ASP 10 HA ASP 10 -1.865 17.349 5.192 50 HB2 ASP 10 1HB ASP 10 -2.349 18.195 2.365 51 HB3 ASP 10 2HB ASP 10 -3.596 17.274 3.201 52 HA PRO 11 HA PRO 11 -0.856 13.091 4.001 53 HB2 PRO 11 1HB PRO 11 -1.618 12.026 6.379 54 HB3 PRO 11 2HB PRO 11 -0.038 12.776 6.124 55 HG2 PRO 11 1HG PRO 11 -2.498 13.925 7.384 56 HG3 PRO 11 2HG PRO 11 -0.809 14.052 7.908 57 HD2 PRO 11 1HD PRO 11 -2.073 16.039 6.573 58 HD3 PRO 11 2HD PRO 11 -0.334 15.728 6.397 59 H SER 12 H SER 12 -3.715 14.731 4.506 60 HA SER 12 HA SER 12 -5.393 12.340 4.250 61 HB2 SER 12 1HB SER 12 -6.242 15.212 4.692 62 HB3 SER 12 2HB SER 12 -7.271 13.783 4.792 63 HG SER 12 HG SER 12 -6.433 13.288 6.691 64 H LYS 13 H LYS 13 -3.684 13.894 2.163 65 HA LYS 13 HA LYS 13 -5.823 14.136 0.149 66 HB2 LYS 13 1HB LYS 13 -3.129 15.496 0.058 67 HB3 LYS 13 2HB LYS 13 -4.498 15.771 -1.012 68 HG2 LYS 13 1HG LYS 13 -4.895 16.233 1.891 69 HG3 LYS 13 2HG LYS 13 -3.929 17.400 0.987 70 HD2 LYS 13 1HD LYS 13 -5.990 18.320 0.675 71 HD3 LYS 13 2HD LYS 13 -5.971 17.212 -0.699 72 HE2 LYS 13 1HE LYS 13 -8.058 16.880 0.324 73 HE3 LYS 13 2HE LYS 13 -7.068 15.522 0.856 74 HZ1 LYS 13 1HZ LYS 13 -8.322 17.552 2.407 75 HZ2 LYS 13 2HZ LYS 13 -6.663 17.484 2.731 76 HZ3 LYS 13 3HZ LYS 13 -7.617 16.099 2.913 77 H VAL 14 H VAL 14 -3.207 12.320 1.156 78 HA VAL 14 HA VAL 14 -2.283 11.519 -1.467 79 HB VAL 14 HB VAL 14 -0.592 11.505 0.180 80 HG11 VAL 14 1HG1 VAL 14 -2.536 9.949 1.870 81 HG12 VAL 14 2HG1 VAL 14 -0.819 10.085 2.255 82 HG13 VAL 14 3HG1 VAL 14 -1.829 11.530 2.199 83 HG21 VAL 14 1HG2 VAL 14 -0.824 9.471 -1.374 84 HG22 VAL 14 2HG2 VAL 14 0.277 9.345 -0.002 85 HG23 VAL 14 3HG2 VAL 14 -1.319 8.596 0.076 86 H LYS 15 H LYS 15 -2.885 9.760 -2.593 87 HA LYS 15 HA LYS 15 -4.691 7.830 -1.297 88 HB2 LYS 15 1HB LYS 15 -5.000 8.932 -4.096 89 HB3 LYS 15 2HB LYS 15 -6.031 7.723 -3.342 90 HG2 LYS 15 1HG LYS 15 -7.058 9.256 -1.971 91 HG3 LYS 15 2HG LYS 15 -5.704 10.386 -2.040 92 HD2 LYS 15 1HD LYS 15 -7.424 11.368 -3.325 93 HD3 LYS 15 2HD LYS 15 -6.281 10.701 -4.492 94 HE2 LYS 15 1HE LYS 15 -8.614 9.073 -3.572 95 HE3 LYS 15 2HE LYS 15 -8.833 10.308 -4.809 96 HZ1 LYS 15 1HZ LYS 15 -7.565 7.729 -4.993 97 HZ2 LYS 15 2HZ LYS 15 -6.658 8.979 -5.685 98 HZ3 LYS 15 3HZ LYS 15 -8.241 8.692 -6.210 99 H ILE 16 H ILE 16 -4.975 5.853 -2.838 100 HA ILE 16 HA ILE 16 -2.579 5.230 -4.360 101 HB ILE 16 HB ILE 16 -2.071 3.194 -3.143 102 HG12 ILE 16 1HG1 ILE 16 -4.242 4.075 -1.227 103 HG13 ILE 16 2HG1 ILE 16 -4.323 2.691 -2.312 104 HG21 ILE 16 1HG2 ILE 16 -1.306 4.232 -0.976 105 HG22 ILE 16 2HG2 ILE 16 -0.812 5.072 -2.444 106 HG23 ILE 16 3HG2 ILE 16 -2.148 5.698 -1.479 107 HD11 ILE 16 1HD1 ILE 16 -2.150 1.973 -1.026 108 HD12 ILE 16 2HD1 ILE 16 -2.814 3.033 0.219 109 HD13 ILE 16 3HD1 ILE 16 -3.755 1.660 -0.365 110 H ALA 17 H ALA 17 -2.969 3.839 -5.997 111 HA ALA 17 HA ALA 17 -5.387 2.195 -5.938 112 HB1 ALA 17 1HB ALA 17 -4.760 4.024 -8.251 113 HB2 ALA 17 2HB ALA 17 -6.155 2.958 -8.082 114 HB3 ALA 17 3HB ALA 17 -5.978 4.351 -7.017 115 H GLY 18 H GLY 18 -5.385 0.468 -7.489 116 HA2 GLY 18 1HA GLY 18 -3.818 -0.293 -9.458 117 HA3 GLY 18 2HA GLY 18 -2.662 -0.389 -8.138 118 HA PRO 19 HA PRO 19 -5.050 -4.416 -8.611 119 HB2 PRO 19 1HB PRO 19 -2.903 -5.978 -9.183 120 HB3 PRO 19 2HB PRO 19 -3.847 -5.148 -10.426 121 HG2 PRO 19 1HG PRO 19 -1.241 -4.358 -9.184 122 HG3 PRO 19 2HG PRO 19 -1.732 -4.297 -10.887 123 HD2 PRO 19 1HD PRO 19 -1.732 -2.109 -9.292 124 HD3 PRO 19 2HD PRO 19 -2.900 -2.329 -10.611 125 H GLY 20 H GLY 20 -1.852 -3.760 -7.202 126 HA2 GLY 20 1HA GLY 20 -1.627 -5.803 -5.387 127 HA3 GLY 20 2HA GLY 20 -1.049 -4.171 -5.084 128 H LEU 21 H LEU 21 -3.653 -2.937 -5.125 129 HA LEU 21 HA LEU 21 -4.508 -3.719 -2.447 130 HB2 LEU 21 1HB LEU 21 -5.452 -1.362 -4.059 131 HB3 LEU 21 2HB LEU 21 -5.596 -1.608 -2.320 132 HG LEU 21 HG LEU 21 -2.906 -1.365 -3.623 133 HD11 LEU 21 1HD1 LEU 21 -3.173 1.093 -2.752 134 HD12 LEU 21 2HD1 LEU 21 -4.884 0.785 -3.049 135 HD13 LEU 21 3HD1 LEU 21 -3.721 0.642 -4.366 136 HD21 LEU 21 1HD2 LEU 21 -2.610 -2.037 -1.443 137 HD22 LEU 21 2HD2 LEU 21 -4.039 -1.177 -0.868 138 HD23 LEU 21 3HD2 LEU 21 -2.572 -0.282 -1.268 139 H GLY 22 H GLY 22 -5.609 -3.737 -5.743 140 HA2 GLY 22 1HA GLY 22 -8.356 -3.906 -5.459 141 HA3 GLY 22 2HA GLY 22 -7.441 -4.725 -6.716 142 H SER 23 H SER 23 -9.714 -5.885 -5.804 143 HA SER 23 HA SER 23 -9.063 -7.806 -3.734 144 HB2 SER 23 1HB SER 23 -11.533 -7.592 -5.471 145 HB3 SER 23 2HB SER 23 -11.356 -8.607 -4.040 146 HG SER 23 HG SER 23 -11.510 -6.889 -2.776 147 H GLY 24 H GLY 24 -7.795 -7.671 -6.540 148 HA2 GLY 24 1HA GLY 24 -8.314 -10.486 -7.276 149 HA3 GLY 24 2HA GLY 24 -7.831 -9.247 -8.424 150 H VAL 25 H VAL 25 -6.500 -9.853 -5.203 151 HA VAL 25 HA VAL 25 -3.844 -10.066 -6.394 152 HB VAL 25 HB VAL 25 -4.653 -9.898 -3.488 153 HG11 VAL 25 1HG1 VAL 25 -1.940 -9.125 -4.161 154 HG12 VAL 25 2HG1 VAL 25 -2.523 -10.231 -2.916 155 HG13 VAL 25 3HG1 VAL 25 -2.271 -10.809 -4.564 156 HG21 VAL 25 1HG2 VAL 25 -4.838 -7.912 -5.331 157 HG22 VAL 25 2HG2 VAL 25 -4.556 -7.655 -3.610 158 HG23 VAL 25 3HG2 VAL 25 -3.197 -7.675 -4.733 159 H ARG 26 H ARG 26 -2.561 -11.852 -6.289 160 HA ARG 26 HA ARG 26 -3.740 -14.267 -5.079 161 HB2 ARG 26 1HB ARG 26 -2.147 -14.032 -7.637 162 HB3 ARG 26 2HB ARG 26 -2.608 -15.555 -6.888 163 HG2 ARG 26 1HG ARG 26 -4.985 -14.907 -7.139 164 HG3 ARG 26 2HG ARG 26 -4.458 -13.462 -8.006 165 HD2 ARG 26 1HD ARG 26 -3.229 -15.049 -9.573 166 HD3 ARG 26 2HD ARG 26 -4.162 -16.341 -8.817 167 HE ARG 26 HE ARG 26 -5.801 -14.191 -9.759 168 HH11 ARG 26 1HH1 ARG 26 -4.136 -17.102 -10.692 169 HH12 ARG 26 2HH1 ARG 26 -5.174 -17.418 -12.043 170 HH21 ARG 26 1HH2 ARG 26 -7.175 -14.597 -11.534 171 HH22 ARG 26 2HH2 ARG 26 -6.902 -15.992 -12.521 172 H ALA 27 H ALA 27 -2.330 -15.743 -4.105 173 HA ALA 27 HA ALA 27 -0.094 -14.619 -2.796 174 HB1 ALA 27 1HB ALA 27 -1.615 -16.566 -2.065 175 HB2 ALA 27 2HB ALA 27 -0.531 -17.573 -3.025 176 HB3 ALA 27 3HB ALA 27 0.103 -16.642 -1.669 177 H ARG 28 H ARG 28 2.127 -15.269 -2.918 178 HA ARG 28 HA ARG 28 4.075 -15.460 -4.085 179 HB2 ARG 28 1HB ARG 28 2.559 -17.764 -5.324 180 HB3 ARG 28 2HB ARG 28 4.299 -17.527 -5.426 181 HG2 ARG 28 1HG ARG 28 4.122 -17.493 -2.806 182 HG3 ARG 28 2HG ARG 28 2.629 -18.379 -3.120 183 HD2 ARG 28 1HD ARG 28 5.113 -19.238 -4.515 184 HD3 ARG 28 2HD ARG 28 4.936 -19.622 -2.804 185 HE ARG 28 HE ARG 28 2.587 -20.371 -4.130 186 HH11 ARG 28 1HH1 ARG 28 5.946 -21.271 -3.959 187 HH12 ARG 28 2HH1 ARG 28 5.657 -22.932 -4.358 188 HH21 ARG 28 1HH2 ARG 28 2.193 -22.556 -4.655 189 HH22 ARG 28 2HH2 ARG 28 3.521 -23.662 -4.754 190 H VAL 29 H VAL 29 2.375 -13.529 -5.141 191 HA VAL 29 HA VAL 29 3.110 -13.656 -7.983 192 HB VAL 29 HB VAL 29 0.469 -12.631 -6.930 193 HG11 VAL 29 1HG1 VAL 29 1.336 -11.309 -8.807 194 HG12 VAL 29 2HG1 VAL 29 1.499 -12.783 -9.763 195 HG13 VAL 29 3HG1 VAL 29 -0.099 -12.228 -9.260 196 HG21 VAL 29 1HG2 VAL 29 0.169 -14.629 -8.914 197 HG22 VAL 29 2HG2 VAL 29 1.298 -15.241 -7.706 198 HG23 VAL 29 3HG2 VAL 29 -0.306 -14.692 -7.217 199 H LEU 30 H LEU 30 3.523 -11.639 -8.975 200 HA LEU 30 HA LEU 30 4.672 -9.700 -7.218 201 HB2 LEU 30 1HB LEU 30 5.627 -10.274 -9.415 202 HB3 LEU 30 2HB LEU 30 4.215 -9.564 -10.194 203 HG LEU 30 HG LEU 30 4.899 -7.384 -9.040 204 HD11 LEU 30 1HD1 LEU 30 6.603 -8.805 -7.623 205 HD12 LEU 30 2HD1 LEU 30 6.966 -7.146 -8.100 206 HD13 LEU 30 3HD1 LEU 30 7.657 -8.493 -9.003 207 HD21 LEU 30 1HD2 LEU 30 5.986 -8.708 -11.408 208 HD22 LEU 30 2HD2 LEU 30 6.990 -7.389 -10.802 209 HD23 LEU 30 3HD2 LEU 30 5.302 -7.093 -11.221 210 H GLN 31 H GLN 31 3.467 -8.305 -6.117 211 HA GLN 31 HA GLN 31 1.103 -7.144 -7.434 212 HB2 GLN 31 1HB GLN 31 1.662 -7.319 -4.469 213 HB3 GLN 31 2HB GLN 31 0.178 -6.758 -5.227 214 HG2 GLN 31 1HG GLN 31 1.260 -9.553 -5.486 215 HG3 GLN 31 2HG GLN 31 0.050 -9.056 -4.305 216 HE21 GLN 31 1HE2 GLN 31 -0.335 -11.048 -6.248 217 HE22 GLN 31 2HE2 GLN 31 -1.573 -10.516 -7.328 218 H SER 32 H SER 32 1.117 -5.042 -7.884 219 HA SER 32 HA SER 32 2.840 -3.244 -6.348 220 HB2 SER 32 1HB SER 32 4.045 -4.026 -8.438 221 HB3 SER 32 2HB SER 32 2.803 -3.190 -9.369 222 HG SER 32 HG SER 32 4.091 -1.768 -7.343 223 H PHE 33 H PHE 33 2.194 -1.063 -6.376 224 HA PHE 33 HA PHE 33 -0.273 -0.392 -7.780 225 HB2 PHE 33 1HB PHE 33 -1.255 0.540 -5.670 226 HB3 PHE 33 2HB PHE 33 -1.129 -1.216 -5.691 227 HD1 PHE 33 1HD PHE 33 0.923 -2.250 -4.543 228 HD2 PHE 33 2HD PHE 33 -0.371 1.754 -3.909 229 HE1 PHE 33 1HE PHE 33 2.170 -2.187 -2.423 230 HE2 PHE 33 2HE PHE 33 0.874 1.825 -1.789 231 HZ PHE 33 HZ PHE 33 2.148 -0.147 -1.043 232 H THR 34 H THR 34 -0.828 1.976 -7.419 233 HA THR 34 HA THR 34 1.675 3.528 -7.403 234 HB THR 34 HB THR 34 -0.944 4.163 -8.776 235 HG1 THR 34 1HG THR 34 1.556 3.668 -10.015 236 HG21 THR 34 1HG2 THR 34 0.780 5.863 -9.889 237 HG22 THR 34 2HG2 THR 34 1.529 5.735 -8.297 238 HG23 THR 34 3HG2 THR 34 -0.143 6.273 -8.443 239 H VAL 35 H VAL 35 1.949 5.087 -5.933 240 HA VAL 35 HA VAL 35 -0.358 5.808 -4.247 241 HB VAL 35 HB VAL 35 2.581 5.895 -3.549 242 HG11 VAL 35 1HG1 VAL 35 1.853 7.466 -2.110 243 HG12 VAL 35 2HG1 VAL 35 0.166 6.970 -2.256 244 HG13 VAL 35 3HG1 VAL 35 1.260 6.078 -1.199 245 HG21 VAL 35 1HG2 VAL 35 1.347 4.176 -1.802 246 HG22 VAL 35 2HG2 VAL 35 0.542 3.819 -3.330 247 HG23 VAL 35 3HG2 VAL 35 2.297 3.701 -3.210 248 H ASP 36 H ASP 36 -1.165 7.673 -4.995 249 HA ASP 36 HA ASP 36 0.581 9.740 -6.044 250 HB2 ASP 36 1HB ASP 36 -1.621 9.176 -7.103 251 HB3 ASP 36 2HB ASP 36 -2.418 9.821 -5.671 252 H SER 37 H SER 37 1.664 10.849 -4.532 253 HA SER 37 HA SER 37 0.130 11.914 -2.251 254 HB2 SER 37 1HB SER 37 2.272 11.958 -0.998 255 HB3 SER 37 2HB SER 37 1.814 10.325 -1.485 256 HG SER 37 HG SER 37 3.472 11.839 -3.165 257 H SER 38 H SER 38 0.539 13.044 -4.954 258 HA SER 38 HA SER 38 2.409 15.193 -4.724 259 HB2 SER 38 1HB SER 38 1.468 15.981 -6.830 260 HB3 SER 38 2HB SER 38 1.720 14.237 -6.908 261 HG SER 38 HG SER 38 -0.303 14.516 -7.661 262 H LYS 39 H LYS 39 -1.052 14.819 -4.214 263 HA LYS 39 HA LYS 39 -1.559 17.605 -3.813 264 HB2 LYS 39 1HB LYS 39 -3.154 15.121 -3.180 265 HB3 LYS 39 2HB LYS 39 -3.740 16.746 -2.846 266 HG2 LYS 39 1HG LYS 39 -3.152 17.097 -5.398 267 HG3 LYS 39 2HG LYS 39 -3.388 15.348 -5.438 268 HD2 LYS 39 1HD LYS 39 -5.582 15.855 -4.162 269 HD3 LYS 39 2HD LYS 39 -5.348 17.505 -4.744 270 HE2 LYS 39 1HE LYS 39 -6.657 16.599 -6.413 271 HE3 LYS 39 2HE LYS 39 -5.035 16.352 -7.057 272 HZ1 LYS 39 1HZ LYS 39 -5.176 14.127 -6.811 273 HZ2 LYS 39 2HZ LYS 39 -6.837 14.426 -6.930 274 HZ3 LYS 39 3HZ LYS 39 -6.122 14.211 -5.411 275 H ALA 40 H ALA 40 -0.406 15.026 -1.838 276 HA ALA 40 HA ALA 40 -1.135 16.102 0.693 277 HB1 ALA 40 1HB ALA 40 -0.665 13.798 0.644 278 HB2 ALA 40 2HB ALA 40 0.886 14.047 -0.157 279 HB3 ALA 40 3HB ALA 40 0.676 14.529 1.526 280 H GLY 41 H GLY 41 1.765 16.320 -1.328 281 HA2 GLY 41 1HA GLY 41 2.712 18.705 -1.069 282 HA3 GLY 41 2HA GLY 41 2.922 18.215 0.605 283 H LEU 42 H LEU 42 5.070 18.079 0.853 284 HA LEU 42 HA LEU 42 6.555 16.410 -1.069 285 HB2 LEU 42 1HB LEU 42 8.568 17.700 -0.345 286 HB3 LEU 42 2HB LEU 42 7.369 18.629 -1.243 287 HG LEU 42 HG LEU 42 8.523 19.690 0.816 288 HD11 LEU 42 1HD1 LEU 42 6.848 20.934 -0.195 289 HD12 LEU 42 2HD1 LEU 42 6.258 20.742 1.455 290 HD13 LEU 42 3HD1 LEU 42 5.603 19.737 0.162 291 HD21 LEU 42 1HD2 LEU 42 7.519 19.258 2.937 292 HD22 LEU 42 2HD2 LEU 42 8.059 17.715 2.276 293 HD23 LEU 42 3HD2 LEU 42 6.349 18.149 2.221 294 H ALA 43 H ALA 43 5.093 15.830 1.543 295 HA ALA 43 HA ALA 43 7.155 15.080 3.396 296 HB1 ALA 43 1HB ALA 43 5.031 13.723 4.297 297 HB2 ALA 43 2HB ALA 43 5.273 15.444 4.599 298 HB3 ALA 43 3HB ALA 43 4.206 14.920 3.298 299 HA PRO 44 HA PRO 44 8.188 11.094 1.865 300 HB2 PRO 44 1HB PRO 44 8.757 9.799 4.182 301 HB3 PRO 44 2HB PRO 44 9.814 11.034 3.489 302 HG2 PRO 44 1HG PRO 44 7.805 11.280 5.694 303 HG3 PRO 44 2HG PRO 44 9.442 11.953 5.593 304 HD2 PRO 44 1HD PRO 44 7.227 13.428 5.094 305 HD3 PRO 44 2HD PRO 44 8.772 13.715 4.267 306 H LEU 45 H LEU 45 7.605 8.793 1.987 307 HA LEU 45 HA LEU 45 4.913 8.362 3.099 308 HB2 LEU 45 1HB LEU 45 4.607 8.589 0.766 309 HB3 LEU 45 2HB LEU 45 6.014 7.588 0.412 310 HG LEU 45 HG LEU 45 4.534 5.762 1.667 311 HD11 LEU 45 1HD1 LEU 45 2.309 6.092 1.698 312 HD12 LEU 45 2HD1 LEU 45 2.318 7.032 0.207 313 HD13 LEU 45 3HD1 LEU 45 2.764 7.797 1.731 314 HD21 LEU 45 1HD2 LEU 45 5.360 6.213 -0.889 315 HD22 LEU 45 2HD2 LEU 45 3.608 6.157 -1.085 316 HD23 LEU 45 3HD2 LEU 45 4.457 4.795 -0.355 317 H GLU 46 H GLU 46 4.574 6.489 4.176 318 HA GLU 46 HA GLU 46 6.788 4.545 4.220 319 HB2 GLU 46 1HB GLU 46 6.292 6.051 6.313 320 HB3 GLU 46 2HB GLU 46 4.974 4.916 6.572 321 HG2 GLU 46 1HG GLU 46 6.890 4.247 7.859 322 HG3 GLU 46 2HG GLU 46 6.590 3.068 6.585 323 H VAL 47 H VAL 47 6.280 2.378 4.231 324 HA VAL 47 HA VAL 47 3.439 1.645 4.119 325 HB VAL 47 HB VAL 47 5.508 0.696 2.132 326 HG11 VAL 47 1HG1 VAL 47 4.029 -1.090 2.454 327 HG12 VAL 47 2HG1 VAL 47 2.630 -0.023 2.595 328 HG13 VAL 47 3HG1 VAL 47 3.409 -0.258 1.029 329 HG21 VAL 47 1HG2 VAL 47 4.860 2.978 1.663 330 HG22 VAL 47 2HG2 VAL 47 4.129 1.900 0.474 331 HG23 VAL 47 3HG2 VAL 47 3.152 2.550 1.791 332 H ARG 48 H ARG 48 2.945 -0.405 4.861 333 HA ARG 48 HA ARG 48 5.102 -2.190 5.655 334 HB2 ARG 48 1HB ARG 48 4.979 -0.921 7.647 335 HB3 ARG 48 2HB ARG 48 3.222 -0.858 7.592 336 HG2 ARG 48 1HG ARG 48 2.978 -2.939 8.481 337 HG3 ARG 48 2HG ARG 48 4.505 -3.522 7.817 338 HD2 ARG 48 1HD ARG 48 4.212 -1.592 10.115 339 HD3 ARG 48 2HD ARG 48 4.580 -3.309 10.262 340 HE ARG 48 HE ARG 48 6.420 -1.827 8.609 341 HH11 ARG 48 1HH1 ARG 48 5.659 -2.919 11.826 342 HH12 ARG 48 2HH1 ARG 48 7.292 -2.805 12.392 343 HH21 ARG 48 1HH2 ARG 48 8.575 -1.674 9.343 344 HH22 ARG 48 2HH2 ARG 48 8.950 -2.096 10.980 345 H VAL 49 H VAL 49 4.479 -4.328 5.847 346 HA VAL 49 HA VAL 49 1.664 -4.905 5.181 347 HB VAL 49 HB VAL 49 4.105 -6.450 4.295 348 HG11 VAL 49 1HG1 VAL 49 1.308 -6.908 3.330 349 HG12 VAL 49 2HG1 VAL 49 2.703 -7.985 3.255 350 HG13 VAL 49 3HG1 VAL 49 1.896 -7.691 4.796 351 HG21 VAL 49 1HG2 VAL 49 2.693 -5.632 2.063 352 HG22 VAL 49 2HG2 VAL 49 2.645 -4.227 3.129 353 HG23 VAL 49 3HG2 VAL 49 4.195 -4.929 2.664 354 H LEU 50 H LEU 50 0.608 -6.250 6.502 355 HA LEU 50 HA LEU 50 2.181 -7.870 8.393 356 HB2 LEU 50 1HB LEU 50 -0.107 -6.031 8.860 357 HB3 LEU 50 2HB LEU 50 -0.007 -7.495 9.834 358 HG LEU 50 HG LEU 50 2.452 -6.618 10.261 359 HD11 LEU 50 1HD1 LEU 50 2.765 -4.331 10.153 360 HD12 LEU 50 2HD1 LEU 50 1.038 -3.993 10.045 361 HD13 LEU 50 3HD1 LEU 50 1.893 -4.662 8.656 362 HD21 LEU 50 1HD2 LEU 50 0.650 -5.019 11.872 363 HD22 LEU 50 2HD2 LEU 50 1.681 -6.374 12.336 364 HD23 LEU 50 3HD2 LEU 50 0.072 -6.674 11.676 365 H GLY 51 H GLY 51 1.609 -9.963 8.604 366 HA2 GLY 51 1HA GLY 51 -0.346 -11.017 6.755 367 HA3 GLY 51 2HA GLY 51 0.704 -11.950 7.812 368 HA PRO 52 HA PRO 52 -3.755 -11.861 9.376 369 HB2 PRO 52 1HB PRO 52 -4.285 -14.499 9.017 370 HB3 PRO 52 2HB PRO 52 -4.595 -13.279 7.776 371 HG2 PRO 52 1HG PRO 52 -2.284 -15.163 8.044 372 HG3 PRO 52 2HG PRO 52 -3.200 -14.715 6.593 373 HD2 PRO 52 1HD PRO 52 -0.785 -13.640 7.181 374 HD3 PRO 52 2HD PRO 52 -2.051 -12.735 6.325 375 H ARG 53 H ARG 53 -1.327 -14.450 9.698 376 HA ARG 53 HA ARG 53 -2.130 -15.051 12.394 377 HB2 ARG 53 1HB ARG 53 0.368 -15.945 10.949 378 HB3 ARG 53 2HB ARG 53 -0.355 -16.683 12.372 379 HG2 ARG 53 1HG ARG 53 -1.234 -18.105 10.881 380 HG3 ARG 53 2HG ARG 53 -2.423 -16.823 10.642 381 HD2 ARG 53 1HD ARG 53 -1.820 -17.129 8.475 382 HD3 ARG 53 2HD ARG 53 -0.570 -15.973 8.932 383 HE ARG 53 HE ARG 53 0.996 -17.622 8.677 384 HH11 ARG 53 1HH1 ARG 53 -2.165 -19.071 8.855 385 HH12 ARG 53 2HH1 ARG 53 -1.604 -20.659 8.449 386 HH21 ARG 53 1HH2 ARG 53 1.747 -19.709 8.142 387 HH22 ARG 53 2HH2 ARG 53 0.622 -21.020 8.045 388 H GLY 54 H GLY 54 0.424 -13.212 10.826 389 HA2 GLY 54 1HA GLY 54 1.002 -11.250 12.407 390 HA3 GLY 54 2HA GLY 54 1.556 -12.545 13.459 391 H LEU 55 H LEU 55 1.897 -12.622 9.973 392 HA LEU 55 HA LEU 55 4.789 -12.770 10.299 393 HB2 LEU 55 1HB LEU 55 3.953 -14.482 8.935 394 HB3 LEU 55 2HB LEU 55 2.900 -13.380 8.051 395 HG LEU 55 HG LEU 55 5.109 -12.336 7.195 396 HD11 LEU 55 1HD1 LEU 55 6.949 -13.236 8.070 397 HD12 LEU 55 2HD1 LEU 55 6.621 -14.634 7.047 398 HD13 LEU 55 3HD1 LEU 55 6.065 -14.618 8.721 399 HD21 LEU 55 1HD2 LEU 55 4.703 -15.074 6.111 400 HD22 LEU 55 2HD2 LEU 55 4.861 -13.534 5.266 401 HD23 LEU 55 3HD2 LEU 55 3.346 -13.948 6.070 402 H VAL 56 H VAL 56 6.250 -11.470 9.136 403 HA VAL 56 HA VAL 56 5.129 -8.873 8.312 404 HB VAL 56 HB VAL 56 7.894 -9.505 9.352 405 HG11 VAL 56 1HG1 VAL 56 6.682 -7.036 8.190 406 HG12 VAL 56 2HG1 VAL 56 7.920 -6.902 9.441 407 HG13 VAL 56 3HG1 VAL 56 8.280 -7.732 7.927 408 HG21 VAL 56 1HG2 VAL 56 6.128 -9.565 11.064 409 HG22 VAL 56 2HG2 VAL 56 7.245 -8.222 11.308 410 HG23 VAL 56 3HG2 VAL 56 5.651 -7.929 10.612 411 H GLU 57 H GLU 57 5.460 -8.151 6.296 412 HA GLU 57 HA GLU 57 7.341 -9.651 4.593 413 HB2 GLU 57 1HB GLU 57 4.711 -8.393 3.793 414 HB3 GLU 57 2HB GLU 57 5.830 -9.195 2.701 415 HG2 GLU 57 1HG GLU 57 4.204 -10.797 3.121 416 HG3 GLU 57 2HG GLU 57 5.530 -11.248 4.190 417 HA PRO 58 HA PRO 58 9.375 -5.820 3.842 418 HB2 PRO 58 1HB PRO 58 10.597 -6.441 1.499 419 HB3 PRO 58 2HB PRO 58 11.129 -7.080 3.059 420 HG2 PRO 58 1HG PRO 58 9.432 -8.376 0.960 421 HG3 PRO 58 2HG PRO 58 10.759 -9.069 1.911 422 HD2 PRO 58 1HD PRO 58 8.154 -9.501 2.514 423 HD3 PRO 58 2HD PRO 58 9.421 -9.420 3.756 424 H VAL 59 H VAL 59 9.583 -4.116 2.171 425 HA VAL 59 HA VAL 59 7.512 -4.134 0.110 426 HB VAL 59 HB VAL 59 6.744 -1.862 0.784 427 HG11 VAL 59 1HG1 VAL 59 5.422 -3.831 1.328 428 HG12 VAL 59 2HG1 VAL 59 6.330 -4.043 2.827 429 HG13 VAL 59 3HG1 VAL 59 5.300 -2.627 2.612 430 HG21 VAL 59 1HG2 VAL 59 8.820 -1.432 2.184 431 HG22 VAL 59 2HG2 VAL 59 7.281 -0.920 2.877 432 HG23 VAL 59 3HG2 VAL 59 8.050 -2.406 3.437 433 H ASN 60 H ASN 60 7.696 -2.216 -1.341 434 HA ASN 60 HA ASN 60 10.483 -1.270 -1.497 435 HB2 ASN 60 1HB ASN 60 9.907 -2.991 -3.224 436 HB3 ASN 60 2HB ASN 60 8.686 -1.888 -3.851 437 HD21 ASN 60 1HD2 ASN 60 9.391 -1.099 -5.694 438 HD22 ASN 60 2HD2 ASN 60 10.974 -0.475 -5.994 439 H VAL 61 H VAL 61 10.827 0.850 -2.068 440 HA VAL 61 HA VAL 61 8.457 2.519 -2.558 441 HB VAL 61 HB VAL 61 10.662 3.151 -0.591 442 HG11 VAL 61 1HG1 VAL 61 8.727 4.838 -1.993 443 HG12 VAL 61 2HG1 VAL 61 8.721 5.041 -0.241 444 HG13 VAL 61 3HG1 VAL 61 10.213 5.275 -1.151 445 HG21 VAL 61 1HG2 VAL 61 7.717 2.841 -0.053 446 HG22 VAL 61 2HG2 VAL 61 8.870 1.517 0.116 447 HG23 VAL 61 3HG2 VAL 61 9.031 2.960 1.118 448 H VAL 62 H VAL 62 8.830 3.106 -4.619 449 HA VAL 62 HA VAL 62 11.387 4.452 -5.191 450 HB VAL 62 HB VAL 62 9.831 2.711 -7.110 451 HG11 VAL 62 1HG1 VAL 62 11.098 3.471 -8.803 452 HG12 VAL 62 2HG1 VAL 62 11.343 4.874 -7.759 453 HG13 VAL 62 3HG1 VAL 62 12.545 3.584 -7.803 454 HG21 VAL 62 1HG2 VAL 62 11.550 1.113 -6.933 455 HG22 VAL 62 2HG2 VAL 62 12.611 2.228 -6.072 456 HG23 VAL 62 3HG2 VAL 62 11.180 1.577 -5.272 457 H ASP 63 H ASP 63 11.020 6.537 -5.515 458 HA ASP 63 HA ASP 63 8.442 7.588 -6.121 459 HB2 ASP 63 1HB ASP 63 10.009 8.874 -4.780 460 HB3 ASP 63 2HB ASP 63 11.166 8.904 -6.107 461 H ASN 64 H ASN 64 7.564 8.208 -8.016 462 HA ASN 64 HA ASN 64 8.771 7.283 -10.444 463 HB2 ASN 64 1HB ASN 64 6.214 8.767 -9.842 464 HB3 ASN 64 2HB ASN 64 6.708 8.367 -11.484 465 HD21 ASN 64 1HD2 ASN 64 6.101 6.928 -8.316 466 HD22 ASN 64 2HD2 ASN 64 5.515 5.418 -8.919 467 H GLY 65 H GLY 65 8.065 10.459 -9.035 468 HA2 GLY 65 1HA GLY 65 9.762 12.199 -9.388 469 HA3 GLY 65 2HA GLY 65 9.883 11.632 -11.047 470 H ASP 66 H ASP 66 6.906 11.308 -11.154 471 HA ASP 66 HA ASP 66 6.340 14.030 -11.971 472 HB2 ASP 66 1HB ASP 66 5.712 11.759 -13.169 473 HB3 ASP 66 2HB ASP 66 4.300 11.851 -12.119 474 H GLY 67 H GLY 67 5.173 11.691 -9.594 475 HA2 GLY 67 1HA GLY 67 4.561 13.325 -7.548 476 HA3 GLY 67 2HA GLY 67 3.164 13.526 -8.594 477 H THR 68 H THR 68 4.967 10.534 -8.213 478 HA THR 68 HA THR 68 2.965 9.416 -6.433 479 HB THR 68 HB THR 68 2.374 7.557 -7.885 480 HG1 THR 68 1HG THR 68 4.299 7.511 -9.147 481 HG21 THR 68 1HG2 THR 68 1.103 9.750 -7.974 482 HG22 THR 68 2HG2 THR 68 0.910 8.688 -9.370 483 HG23 THR 68 3HG2 THR 68 1.977 10.089 -9.468 484 H HIS 69 H HIS 69 3.485 6.918 -6.217 485 HA HIS 69 HA HIS 69 6.348 6.399 -6.400 486 HB2 HIS 69 1HB HIS 69 4.857 6.203 -3.776 487 HB3 HIS 69 2HB HIS 69 6.550 5.804 -4.046 488 HD1 HIS 69 1HD HIS 69 8.193 7.644 -3.705 489 HD2 HIS 69 2HD HIS 69 4.310 9.061 -4.120 490 HE1 HIS 69 1HE HIS 69 8.323 10.110 -3.230 491 HE2 HIS 69 2HE HIS 69 5.948 10.930 -3.403 492 H THR 70 H THR 70 6.763 4.334 -6.895 493 HA THR 70 HA THR 70 4.517 2.489 -7.065 494 HB THR 70 HB THR 70 7.346 2.290 -8.109 495 HG1 THR 70 1HG THR 70 4.818 2.762 -9.333 496 HG21 THR 70 1HG2 THR 70 6.592 0.280 -9.297 497 HG22 THR 70 2HG2 THR 70 5.032 0.383 -8.480 498 HG23 THR 70 3HG2 THR 70 6.497 0.066 -7.550 499 H VAL 71 H VAL 71 4.307 0.633 -5.916 500 HA VAL 71 HA VAL 71 6.471 -0.102 -4.066 501 HB VAL 71 HB VAL 71 3.548 -0.041 -3.305 502 HG11 VAL 71 1HG1 VAL 71 5.893 -1.280 -2.152 503 HG12 VAL 71 2HG1 VAL 71 5.136 -0.150 -1.028 504 HG13 VAL 71 3HG1 VAL 71 4.193 -1.469 -1.724 505 HG21 VAL 71 1HG2 VAL 71 5.779 1.806 -2.457 506 HG22 VAL 71 2HG2 VAL 71 4.459 2.224 -3.549 507 HG23 VAL 71 3HG2 VAL 71 4.120 1.839 -1.862 508 H THR 72 H THR 72 7.107 -2.011 -4.864 509 HA THR 72 HA THR 72 5.094 -3.934 -5.778 510 HB THR 72 HB THR 72 6.992 -5.212 -6.695 511 HG1 THR 72 1HG THR 72 8.420 -3.320 -5.232 512 HG21 THR 72 1HG2 THR 72 7.472 -3.769 -8.517 513 HG22 THR 72 2HG2 THR 72 7.239 -2.327 -7.528 514 HG23 THR 72 3HG2 THR 72 5.856 -3.333 -7.959 515 H TYR 73 H TYR 73 4.834 -5.944 -4.877 516 HA TYR 73 HA TYR 73 6.572 -6.873 -2.769 517 HB2 TYR 73 1HB TYR 73 5.093 -6.758 -0.964 518 HB3 TYR 73 2HB TYR 73 4.866 -5.205 -1.759 519 HD1 TYR 73 1HD TYR 73 2.814 -4.734 -3.006 520 HD2 TYR 73 2HD TYR 73 3.343 -8.421 -0.950 521 HE1 TYR 73 1HE TYR 73 0.401 -5.175 -3.187 522 HE2 TYR 73 2HE TYR 73 0.932 -8.873 -1.127 523 HH TYR 73 HH TYR 73 -1.277 -6.513 -2.585 524 H THR 74 H THR 74 5.681 -8.974 -1.825 525 HA THR 74 HA THR 74 3.923 -10.417 -3.653 526 HB THR 74 HB THR 74 6.658 -11.503 -2.969 527 HG1 THR 74 1HG THR 74 5.716 -10.025 -5.173 528 HG21 THR 74 1HG2 THR 74 5.071 -12.546 -5.231 529 HG22 THR 74 2HG2 THR 74 4.447 -12.902 -3.619 530 HG23 THR 74 3HG2 THR 74 6.079 -13.400 -4.064 531 HA PRO 75 HA PRO 75 2.732 -11.712 0.479 532 HB2 PRO 75 1HB PRO 75 0.425 -12.909 -0.309 533 HB3 PRO 75 2HB PRO 75 0.581 -11.160 -0.106 534 HG2 PRO 75 1HG PRO 75 0.703 -12.796 -2.611 535 HG3 PRO 75 2HG PRO 75 -0.121 -11.251 -2.322 536 HD2 PRO 75 1HD PRO 75 2.271 -11.415 -3.582 537 HD3 PRO 75 2HD PRO 75 1.817 -10.029 -2.570 538 H SER 76 H SER 76 4.369 -13.261 0.786 539 HA SER 76 HA SER 76 4.924 -15.574 -0.471 540 HB2 SER 76 1HB SER 76 5.779 -16.449 1.588 541 HB3 SER 76 2HB SER 76 5.994 -14.700 1.650 542 HG SER 76 HG SER 76 3.722 -14.937 2.704 543 H GLN 77 H GLN 77 2.042 -14.892 1.334 544 HA GLN 77 HA GLN 77 0.887 -17.402 0.421 545 HB2 GLN 77 1HB GLN 77 0.134 -18.129 2.552 546 HB3 GLN 77 2HB GLN 77 1.848 -17.775 2.729 547 HG2 GLN 77 1HG GLN 77 1.374 -15.702 3.823 548 HG3 GLN 77 2HG GLN 77 -0.349 -15.870 3.494 549 HE21 GLN 77 1HE2 GLN 77 -0.598 -15.589 5.793 550 HE22 GLN 77 2HE2 GLN 77 -0.401 -16.944 6.846 551 H GLU 78 H GLU 78 -1.534 -17.445 1.181 552 HA GLU 78 HA GLU 78 -2.647 -14.860 0.399 553 HB2 GLU 78 1HB GLU 78 -4.721 -16.090 -0.012 554 HB3 GLU 78 2HB GLU 78 -3.370 -16.831 -0.857 555 HG2 GLU 78 1HG GLU 78 -4.161 -17.841 1.833 556 HG3 GLU 78 2HG GLU 78 -5.090 -18.307 0.410 557 H GLY 79 H GLY 79 -4.892 -14.410 1.438 558 HA2 GLY 79 1HA GLY 79 -6.125 -14.864 3.592 559 HA3 GLY 79 2HA GLY 79 -4.555 -14.678 4.360 560 HA PRO 80 HA PRO 80 -6.890 -10.582 4.125 561 HB2 PRO 80 1HB PRO 80 -7.223 -10.242 6.798 562 HB3 PRO 80 2HB PRO 80 -8.400 -11.083 5.783 563 HG2 PRO 80 1HG PRO 80 -6.275 -12.220 7.557 564 HG3 PRO 80 2HG PRO 80 -7.956 -12.744 7.349 565 HD2 PRO 80 1HD PRO 80 -5.880 -14.001 6.147 566 HD3 PRO 80 2HD PRO 80 -7.490 -13.894 5.407 567 H TYR 81 H TYR 81 -4.670 -10.050 3.423 568 HA TYR 81 HA TYR 81 -2.707 -9.443 5.442 569 HB2 TYR 81 1HB TYR 81 -2.833 -9.353 2.476 570 HB3 TYR 81 2HB TYR 81 -1.688 -8.268 3.257 571 HD1 TYR 81 1HD TYR 81 -2.756 -11.796 3.908 572 HD2 TYR 81 2HD TYR 81 0.451 -9.111 3.126 573 HE1 TYR 81 1HE TYR 81 -1.157 -13.652 4.125 574 HE2 TYR 81 2HE TYR 81 2.059 -10.961 3.340 575 HH TYR 81 HH TYR 81 1.907 -13.576 3.034 576 H MET 82 H MET 82 -1.967 -7.401 6.043 577 HA MET 82 HA MET 82 -3.803 -5.183 5.414 578 HB2 MET 82 1HB MET 82 -4.095 -5.760 7.713 579 HB3 MET 82 2HB MET 82 -2.358 -5.844 7.979 580 HG2 MET 82 1HG MET 82 -3.694 -3.291 7.162 581 HG3 MET 82 2HG MET 82 -3.620 -3.801 8.847 582 HE1 MET 82 1HE MET 82 -1.253 -4.093 10.207 583 HE2 MET 82 2HE MET 82 -0.373 -2.573 10.032 584 HE3 MET 82 3HE MET 82 -2.128 -2.561 10.216 585 H VAL 83 H VAL 83 -2.940 -3.454 4.468 586 HA VAL 83 HA VAL 83 -0.005 -3.194 4.462 587 HB VAL 83 HB VAL 83 -2.010 -2.259 2.405 588 HG11 VAL 83 1HG1 VAL 83 0.595 -1.273 3.008 589 HG12 VAL 83 2HG1 VAL 83 0.645 -2.094 1.446 590 HG13 VAL 83 3HG1 VAL 83 -0.502 -0.783 1.718 591 HG21 VAL 83 1HG2 VAL 83 -1.549 -4.099 1.212 592 HG22 VAL 83 2HG2 VAL 83 0.171 -4.035 1.599 593 HG23 VAL 83 3HG2 VAL 83 -0.962 -4.761 2.739 594 H SER 84 H SER 84 0.289 -1.874 6.220 595 HA SER 84 HA SER 84 -1.316 0.457 6.674 596 HB2 SER 84 1HB SER 84 -0.424 -0.476 8.638 597 HB3 SER 84 2HB SER 84 1.183 -0.653 7.934 598 HG SER 84 HG SER 84 1.635 1.289 8.579 599 H VAL 85 H VAL 85 -0.869 2.569 6.235 600 HA VAL 85 HA VAL 85 1.659 3.216 4.898 601 HB VAL 85 HB VAL 85 -1.055 3.982 3.814 602 HG11 VAL 85 1HG1 VAL 85 1.222 4.463 2.094 603 HG12 VAL 85 2HG1 VAL 85 -0.072 5.558 2.585 604 HG13 VAL 85 3HG1 VAL 85 1.349 5.354 3.611 605 HG21 VAL 85 1HG2 VAL 85 -0.953 1.984 2.819 606 HG22 VAL 85 2HG2 VAL 85 0.339 2.669 1.832 607 HG23 VAL 85 3HG2 VAL 85 0.732 1.746 3.283 608 H LYS 86 H LYS 86 2.525 5.062 5.601 609 HA LYS 86 HA LYS 86 0.786 6.952 7.048 610 HB2 LYS 86 1HB LYS 86 2.624 5.491 8.296 611 HB3 LYS 86 2HB LYS 86 3.687 6.765 7.712 612 HG2 LYS 86 1HG LYS 86 2.463 8.433 8.893 613 HG3 LYS 86 2HG LYS 86 1.193 7.281 9.312 614 HD2 LYS 86 1HD LYS 86 3.041 5.963 10.500 615 HD3 LYS 86 2HD LYS 86 4.008 7.433 10.349 616 HE2 LYS 86 1HE LYS 86 2.393 8.687 11.611 617 HE3 LYS 86 2HE LYS 86 1.284 7.318 11.634 618 HZ1 LYS 86 1HZ LYS 86 2.907 6.084 12.943 619 HZ2 LYS 86 2HZ LYS 86 2.453 7.512 13.726 620 HZ3 LYS 86 3HZ LYS 86 3.948 7.418 12.941 621 H TYR 87 H TYR 87 1.880 9.169 7.245 622 HA TYR 87 HA TYR 87 3.657 9.893 5.093 623 HB2 TYR 87 1HB TYR 87 1.197 9.779 4.208 624 HB3 TYR 87 2HB TYR 87 1.010 11.302 5.072 625 HD1 TYR 87 1HD TYR 87 3.108 9.633 2.488 626 HD2 TYR 87 2HD TYR 87 1.653 13.307 4.066 627 HE1 TYR 87 1HE TYR 87 4.074 10.832 0.570 628 HE2 TYR 87 2HE TYR 87 2.614 14.517 2.152 629 HH TYR 87 HH TYR 87 4.100 12.805 -0.545 630 H ALA 88 H ALA 88 5.051 11.050 6.260 631 HA ALA 88 HA ALA 88 5.921 12.723 7.535 632 HB1 ALA 88 1HB ALA 88 4.162 13.993 6.069 633 HB2 ALA 88 2HB ALA 88 3.313 14.165 7.605 634 HB3 ALA 88 3HB ALA 88 4.949 14.800 7.425 635 H ASP 89 H ASP 89 4.956 10.476 8.864 636 HA ASP 89 HA ASP 89 4.519 9.720 10.964 637 HB2 ASP 89 1HB ASP 89 5.031 12.629 11.583 638 HB3 ASP 89 2HB ASP 89 4.683 11.443 12.837 639 H GLU 90 H GLU 90 2.346 10.391 9.246 640 HA GLU 90 HA GLU 90 0.264 10.687 11.266 641 HB2 GLU 90 1HB GLU 90 0.454 12.421 8.799 642 HB3 GLU 90 2HB GLU 90 -0.995 12.271 9.784 643 HG2 GLU 90 1HG GLU 90 0.545 12.988 11.733 644 HG3 GLU 90 2HG GLU 90 1.616 13.557 10.453 645 H GLU 91 H GLU 91 -0.660 8.741 11.037 646 HA GLU 91 HA GLU 91 -0.758 7.164 8.763 647 HB2 GLU 91 1HB GLU 91 -2.250 7.263 11.320 648 HB3 GLU 91 2HB GLU 91 -3.010 6.363 10.013 649 HG2 GLU 91 1HG GLU 91 -1.369 4.766 9.970 650 HG3 GLU 91 2HG GLU 91 -0.148 5.846 10.642 651 H ILE 92 H ILE 92 -1.671 7.518 6.862 652 HA ILE 92 HA ILE 92 -3.408 9.597 6.249 653 HB ILE 92 HB ILE 92 -3.824 8.476 4.123 654 HG12 ILE 92 1HG1 ILE 92 -2.259 6.126 5.192 655 HG13 ILE 92 2HG1 ILE 92 -4.018 6.175 5.188 656 HG21 ILE 92 1HG2 ILE 92 -1.585 8.439 3.316 657 HG22 ILE 92 2HG2 ILE 92 -1.657 9.642 4.602 658 HG23 ILE 92 3HG2 ILE 92 -0.950 8.057 4.916 659 HD11 ILE 92 1HD1 ILE 92 -2.202 5.516 3.069 660 HD12 ILE 92 2HD1 ILE 92 -3.953 5.325 3.149 661 HD13 ILE 92 3HD1 ILE 92 -3.257 6.846 2.592 662 HA PRO 93 HA PRO 93 -7.424 8.312 7.474 663 HB2 PRO 93 1HB PRO 93 -8.944 9.448 5.532 664 HB3 PRO 93 2HB PRO 93 -8.157 10.386 6.806 665 HG2 PRO 93 1HG PRO 93 -7.287 9.928 3.980 666 HG3 PRO 93 2HG PRO 93 -7.263 11.425 4.929 667 HD2 PRO 93 1HD PRO 93 -5.052 9.913 4.541 668 HD3 PRO 93 2HD PRO 93 -5.320 10.850 6.025 669 H ARG 94 H ARG 94 -5.853 6.933 4.975 670 HA ARG 94 HA ARG 94 -8.147 5.224 4.267 671 HB2 ARG 94 1HB ARG 94 -5.818 6.130 2.582 672 HB3 ARG 94 2HB ARG 94 -6.819 4.754 2.140 673 HG2 ARG 94 1HG ARG 94 -8.066 7.410 2.711 674 HG3 ARG 94 2HG ARG 94 -7.340 7.073 1.138 675 HD2 ARG 94 1HD ARG 94 -9.265 5.118 2.307 676 HD3 ARG 94 2HD ARG 94 -9.882 6.596 1.572 677 HE ARG 94 HE ARG 94 -8.249 5.668 -0.338 678 HH11 ARG 94 1HH1 ARG 94 -10.730 4.120 1.550 679 HH12 ARG 94 2HH1 ARG 94 -11.149 2.984 0.310 680 HH21 ARG 94 1HH2 ARG 94 -8.790 4.178 -1.978 681 HH22 ARG 94 2HH2 ARG 94 -10.044 3.018 -1.696 682 H SER 95 H SER 95 -5.563 5.275 6.161 683 HA SER 95 HA SER 95 -4.894 2.447 5.666 684 HB2 SER 95 1HB SER 95 -2.827 3.378 5.335 685 HB3 SER 95 2HB SER 95 -3.181 4.783 6.340 686 HG SER 95 HG SER 95 -2.517 3.734 8.068 687 HA PRO 96 HA PRO 96 -3.372 1.089 6.879 688 HB2 PRO 96 1HB PRO 96 -4.176 -1.362 7.725 689 HB3 PRO 96 2HB PRO 96 -3.050 -0.352 8.640 690 HG2 PRO 96 1HG PRO 96 -5.993 -0.742 9.029 691 HG3 PRO 96 2HG PRO 96 -4.703 -0.673 10.244 692 HD2 PRO 96 1HD PRO 96 -6.315 1.436 9.710 693 HD3 PRO 96 2HD PRO 96 -4.623 1.631 10.212 694 H PHE 97 H PHE 97 -3.723 -0.786 5.342 695 HA PHE 97 HA PHE 97 -6.363 -0.504 4.069 696 HB2 PHE 97 1HB PHE 97 -3.640 -1.079 2.898 697 HB3 PHE 97 2HB PHE 97 -5.133 -1.283 1.987 698 HD1 PHE 97 2HD PHE 97 -3.039 1.194 3.758 699 HD2 PHE 97 1HD PHE 97 -6.215 0.553 0.998 700 HE1 PHE 97 2HE PHE 97 -2.986 3.577 3.149 701 HE2 PHE 97 1HE PHE 97 -6.167 2.935 0.384 702 HZ PHE 97 HZ PHE 97 -4.552 4.450 1.461 703 H LYS 98 H LYS 98 -7.533 -2.288 3.520 704 HA LYS 98 HA LYS 98 -6.579 -4.836 4.614 705 HB2 LYS 98 1HB LYS 98 -9.331 -3.808 3.933 706 HB3 LYS 98 2HB LYS 98 -9.023 -5.496 4.318 707 HG2 LYS 98 1HG LYS 98 -8.378 -4.977 6.527 708 HG3 LYS 98 2HG LYS 98 -8.267 -3.252 6.166 709 HD2 LYS 98 1HD LYS 98 -10.599 -3.014 6.052 710 HD3 LYS 98 2HD LYS 98 -10.855 -4.755 5.901 711 HE2 LYS 98 1HE LYS 98 -9.556 -3.657 8.356 712 HE3 LYS 98 2HE LYS 98 -11.306 -3.543 8.173 713 HZ1 LYS 98 1HZ LYS 98 -10.516 -6.145 7.508 714 HZ2 LYS 98 2HZ LYS 98 -11.471 -5.641 8.810 715 HZ3 LYS 98 3HZ LYS 98 -9.792 -5.750 8.986 716 H VAL 99 H VAL 99 -5.524 -6.010 3.142 717 HA VAL 99 HA VAL 99 -6.697 -6.233 0.445 718 HB VAL 99 HB VAL 99 -3.801 -6.557 1.243 719 HG11 VAL 99 1HG1 VAL 99 -3.913 -7.975 -0.537 720 HG12 VAL 99 2HG1 VAL 99 -5.300 -7.149 -1.251 721 HG13 VAL 99 3HG1 VAL 99 -3.685 -6.456 -1.402 722 HG21 VAL 99 1HG2 VAL 99 -4.979 -4.458 -0.558 723 HG22 VAL 99 2HG2 VAL 99 -4.776 -4.212 1.177 724 HG23 VAL 99 3HG2 VAL 99 -3.368 -4.508 0.157 725 H LYS 100 H LYS 100 -7.911 -8.042 0.563 726 HA LYS 100 HA LYS 100 -7.017 -10.382 1.992 727 HB2 LYS 100 1HB LYS 100 -9.379 -9.870 1.990 728 HB3 LYS 100 2HB LYS 100 -9.421 -9.881 0.232 729 HG2 LYS 100 1HG LYS 100 -8.765 -12.302 0.331 730 HG3 LYS 100 2HG LYS 100 -9.020 -12.222 2.075 731 HD2 LYS 100 1HD LYS 100 -11.332 -11.682 1.781 732 HD3 LYS 100 2HD LYS 100 -11.118 -11.479 0.040 733 HE2 LYS 100 1HE LYS 100 -12.048 -13.589 0.174 734 HE3 LYS 100 2HE LYS 100 -10.323 -13.949 0.109 735 HZ1 LYS 100 1HZ LYS 100 -12.214 -14.414 2.225 736 HZ2 LYS 100 2HZ LYS 100 -10.787 -13.679 2.758 737 HZ3 LYS 100 3HZ LYS 100 -10.720 -15.152 1.928 738 H VAL 101 H VAL 101 -5.232 -11.256 1.043 739 HA VAL 101 HA VAL 101 -4.892 -11.527 -1.766 740 HB VAL 101 HB VAL 101 -3.492 -13.042 0.442 741 HG11 VAL 101 1HG1 VAL 101 -1.657 -12.991 -1.413 742 HG12 VAL 101 2HG1 VAL 101 -2.940 -14.202 -1.473 743 HG13 VAL 101 3HG1 VAL 101 -3.031 -12.767 -2.495 744 HG21 VAL 101 1HG2 VAL 101 -3.354 -10.274 -0.378 745 HG22 VAL 101 2HG2 VAL 101 -2.607 -11.076 1.003 746 HG23 VAL 101 3HG2 VAL 101 -1.796 -11.079 -0.563 747 H LEU 102 H LEU 102 -5.127 -13.304 -3.092 748 HA LEU 102 HA LEU 102 -6.809 -15.464 -2.010 749 HB2 LEU 102 1HB LEU 102 -6.591 -14.282 -4.766 750 HB3 LEU 102 2HB LEU 102 -7.407 -15.812 -4.451 751 HG LEU 102 HG LEU 102 -8.224 -13.273 -3.069 752 HD11 LEU 102 1HD1 LEU 102 -10.050 -13.222 -4.837 753 HD12 LEU 102 2HD1 LEU 102 -9.003 -14.272 -5.791 754 HD13 LEU 102 3HD1 LEU 102 -8.449 -12.664 -5.324 755 HD21 LEU 102 1HD2 LEU 102 -9.295 -16.025 -3.386 756 HD22 LEU 102 2HD2 LEU 102 -10.446 -14.692 -3.293 757 HD23 LEU 102 3HD2 LEU 102 -9.300 -14.962 -1.979 758 HA PRO 103 HA PRO 103 -3.737 -18.482 -2.862 759 HB2 PRO 103 1HB PRO 103 -5.263 -20.607 -3.586 760 HB3 PRO 103 2HB PRO 103 -5.156 -20.023 -1.921 761 HG2 PRO 103 1HG PRO 103 -7.277 -19.520 -3.973 762 HG3 PRO 103 2HG PRO 103 -7.455 -19.896 -2.249 763 HD2 PRO 103 1HD PRO 103 -7.668 -17.377 -3.220 764 HD3 PRO 103 2HD PRO 103 -7.025 -17.725 -1.602 765 H THR 104 H THR 104 -2.409 -18.533 -4.552 766 HA THR 104 HA THR 104 -2.708 -17.724 -7.068 767 HB THR 104 HB THR 104 -1.189 -20.222 -6.297 768 HG1 THR 104 1HG THR 104 0.569 -18.555 -6.392 769 HG21 THR 104 1HG2 THR 104 0.061 -19.992 -8.298 770 HG22 THR 104 2HG2 THR 104 -0.660 -18.421 -8.652 771 HG23 THR 104 3HG2 THR 104 -1.634 -19.886 -8.770 772 H TYR 105 H TYR 105 -3.858 -20.812 -5.847 773 HA TYR 105 HA TYR 105 -4.973 -21.436 -8.493 774 HB2 TYR 105 1HB TYR 105 -4.796 -23.295 -6.121 775 HB3 TYR 105 2HB TYR 105 -5.111 -23.720 -7.799 776 HD1 TYR 105 1HD TYR 105 -2.536 -22.737 -5.378 777 HD2 TYR 105 2HD TYR 105 -3.308 -23.877 -9.404 778 HE1 TYR 105 1HE TYR 105 -0.130 -23.113 -5.727 779 HE2 TYR 105 2HE TYR 105 -0.905 -24.257 -9.763 780 HH TYR 105 HH TYR 105 1.134 -24.856 -8.096 781 H ASP 106 H ASP 106 -7.151 -22.339 -8.570 782 HA ASP 106 HA ASP 106 -8.879 -21.238 -6.451 783 HB2 ASP 106 1HB ASP 106 -9.399 -21.414 -9.425 784 HB3 ASP 106 2HB ASP 106 -10.605 -20.937 -8.232 785 H ALA 107 H ALA 107 -9.202 -23.068 -5.261 786 HA ALA 107 HA ALA 107 -10.551 -25.293 -6.647 787 HB1 ALA 107 1HB ALA 107 -8.513 -25.407 -4.439 788 HB2 ALA 107 2HB ALA 107 -9.571 -26.762 -4.833 789 HB3 ALA 107 3HB ALA 107 -8.438 -26.149 -6.036 790 H SER 108 H SER 108 -12.608 -24.499 -6.173 791 HA SER 108 HA SER 108 -13.431 -23.668 -3.598 792 HB2 SER 108 1HB SER 108 -14.598 -23.129 -5.766 793 HB3 SER 108 2HB SER 108 -15.202 -24.786 -5.781 794 HG SER 108 HG SER 108 -16.774 -23.875 -4.689 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -15.158 34.253 0.177 2 HA2 GLY 1 1HA GLY 1 -13.128 33.830 -1.722 3 HA3 GLY 1 2HA GLY 1 -13.060 34.982 -0.397 4 H SER 2 H SER 2 -11.169 32.890 -1.663 5 HA SER 2 HA SER 2 -9.865 32.208 0.802 6 HB2 SER 2 1HB SER 2 -11.360 30.342 0.813 7 HB3 SER 2 2HB SER 2 -11.099 30.040 -0.904 8 HG SER 2 HG SER 2 -9.921 28.662 0.645 9 H SER 3 H SER 3 -7.713 32.074 0.517 10 HA SER 3 HA SER 3 -6.595 31.374 -2.068 11 HB2 SER 3 1HB SER 3 -6.084 34.086 -0.823 12 HB3 SER 3 2HB SER 3 -5.271 33.444 -2.250 13 HG SER 3 HG SER 3 -7.172 33.540 -3.371 14 H GLY 4 H GLY 4 -4.512 30.605 -1.950 15 HA2 GLY 4 1HA GLY 4 -2.719 31.050 0.169 16 HA3 GLY 4 2HA GLY 4 -3.624 29.583 0.507 17 H SER 5 H SER 5 -1.532 28.522 0.395 18 HA SER 5 HA SER 5 -0.871 27.806 -2.375 19 HB2 SER 5 1HB SER 5 0.778 29.465 -1.187 20 HB3 SER 5 2HB SER 5 1.325 28.018 -0.342 21 HG SER 5 HG SER 5 1.746 27.079 -2.382 22 H SER 6 H SER 6 0.120 25.717 -2.614 23 HA SER 6 HA SER 6 -0.939 23.810 -0.719 24 HB2 SER 6 1HB SER 6 -0.242 22.117 -2.344 25 HB3 SER 6 2HB SER 6 -1.124 23.414 -3.151 26 HG SER 6 HG SER 6 1.706 23.255 -3.000 27 H GLY 7 H GLY 7 1.077 25.402 0.405 28 HA2 GLY 7 1HA GLY 7 3.588 24.009 0.363 29 HA3 GLY 7 2HA GLY 7 3.136 25.314 1.451 30 H VAL 8 H VAL 8 1.306 24.572 3.047 31 HA VAL 8 HA VAL 8 2.336 22.906 4.923 32 HB VAL 8 HB VAL 8 0.306 24.313 5.227 33 HG11 VAL 8 1HG1 VAL 8 -0.803 23.458 3.125 34 HG12 VAL 8 2HG1 VAL 8 -1.230 22.013 4.044 35 HG13 VAL 8 3HG1 VAL 8 -1.841 23.590 4.545 36 HG21 VAL 8 1HG2 VAL 8 1.062 22.146 6.611 37 HG22 VAL 8 2HG2 VAL 8 -0.333 23.131 7.052 38 HG23 VAL 8 3HG2 VAL 8 -0.560 21.639 6.140 39 H VAL 9 H VAL 9 1.864 20.738 5.613 40 HA VAL 9 HA VAL 9 1.616 18.909 3.346 41 HB VAL 9 HB VAL 9 2.553 18.452 6.180 42 HG11 VAL 9 1HG1 VAL 9 1.614 16.402 5.651 43 HG12 VAL 9 2HG1 VAL 9 2.022 16.541 3.939 44 HG13 VAL 9 3HG1 VAL 9 3.285 16.203 5.123 45 HG21 VAL 9 1HG2 VAL 9 3.985 18.539 3.528 46 HG22 VAL 9 2HG2 VAL 9 4.179 19.648 4.886 47 HG23 VAL 9 3HG2 VAL 9 4.717 17.975 5.030 48 H ASP 10 H ASP 10 -0.071 17.585 3.051 49 HA ASP 10 HA ASP 10 -2.019 17.293 5.238 50 HB2 ASP 10 1HB ASP 10 -2.465 18.180 2.421 51 HB3 ASP 10 2HB ASP 10 -3.704 17.195 3.194 52 HA PRO 11 HA PRO 11 -0.887 13.072 3.999 53 HB2 PRO 11 1HB PRO 11 -1.599 11.965 6.372 54 HB3 PRO 11 2HB PRO 11 -0.041 12.757 6.112 55 HG2 PRO 11 1HG PRO 11 -2.518 13.831 7.404 56 HG3 PRO 11 2HG PRO 11 -0.828 13.995 7.915 57 HD2 PRO 11 1HD PRO 11 -2.155 15.963 6.611 58 HD3 PRO 11 2HD PRO 11 -0.411 15.698 6.418 59 H SER 12 H SER 12 -3.778 14.635 4.526 60 HA SER 12 HA SER 12 -5.399 12.206 4.270 61 HB2 SER 12 1HB SER 12 -6.212 15.065 4.845 62 HB3 SER 12 2HB SER 12 -7.324 13.702 4.736 63 HG SER 12 HG SER 12 -6.202 12.757 6.497 64 H LYS 13 H LYS 13 -3.752 13.869 2.194 65 HA LYS 13 HA LYS 13 -5.910 14.049 0.193 66 HB2 LYS 13 1HB LYS 13 -3.264 15.505 0.120 67 HB3 LYS 13 2HB LYS 13 -4.633 15.734 -0.963 68 HG2 LYS 13 1HG LYS 13 -5.061 16.167 1.944 69 HG3 LYS 13 2HG LYS 13 -4.151 17.379 1.039 70 HD2 LYS 13 1HD LYS 13 -6.261 18.197 0.743 71 HD3 LYS 13 2HD LYS 13 -6.177 17.112 -0.646 72 HE2 LYS 13 1HE LYS 13 -7.338 15.385 0.604 73 HE3 LYS 13 2HE LYS 13 -7.358 16.408 2.040 74 HZ1 LYS 13 1HZ LYS 13 -9.173 16.356 -0.124 75 HZ2 LYS 13 2HZ LYS 13 -8.485 17.897 -0.003 76 HZ3 LYS 13 3HZ LYS 13 -9.277 17.217 1.328 77 H VAL 14 H VAL 14 -3.269 12.275 1.168 78 HA VAL 14 HA VAL 14 -2.328 11.545 -1.474 79 HB VAL 14 HB VAL 14 -0.596 11.553 0.104 80 HG11 VAL 14 1HG1 VAL 14 -1.718 11.654 2.165 81 HG12 VAL 14 2HG1 VAL 14 -2.513 10.101 1.905 82 HG13 VAL 14 3HG1 VAL 14 -0.780 10.162 2.230 83 HG21 VAL 14 1HG2 VAL 14 0.305 9.445 -0.113 84 HG22 VAL 14 2HG2 VAL 14 -1.228 8.637 0.216 85 HG23 VAL 14 3HG2 VAL 14 -0.955 9.407 -1.347 86 H LYS 15 H LYS 15 -3.079 9.919 -2.661 87 HA LYS 15 HA LYS 15 -4.745 7.876 -1.341 88 HB2 LYS 15 1HB LYS 15 -5.093 9.051 -4.107 89 HB3 LYS 15 2HB LYS 15 -6.053 7.738 -3.435 90 HG2 LYS 15 1HG LYS 15 -7.167 9.126 -1.963 91 HG3 LYS 15 2HG LYS 15 -5.906 10.360 -2.012 92 HD2 LYS 15 1HD LYS 15 -6.678 11.267 -3.964 93 HD3 LYS 15 2HD LYS 15 -7.350 9.739 -4.536 94 HE2 LYS 15 1HE LYS 15 -9.236 9.936 -3.113 95 HE3 LYS 15 2HE LYS 15 -8.507 11.268 -2.217 96 HZ1 LYS 15 1HZ LYS 15 -10.253 11.542 -4.253 97 HZ2 LYS 15 2HZ LYS 15 -8.773 11.769 -5.040 98 HZ3 LYS 15 3HZ LYS 15 -9.189 12.747 -3.723 99 H ILE 16 H ILE 16 -4.986 5.891 -2.863 100 HA ILE 16 HA ILE 16 -2.581 5.331 -4.401 101 HB ILE 16 HB ILE 16 -2.046 3.289 -3.201 102 HG12 ILE 16 1HG1 ILE 16 -4.209 4.132 -1.259 103 HG13 ILE 16 2HG1 ILE 16 -4.308 2.773 -2.375 104 HG21 ILE 16 1HG2 ILE 16 -2.148 5.793 -1.541 105 HG22 ILE 16 2HG2 ILE 16 -1.312 4.333 -1.015 106 HG23 ILE 16 3HG2 ILE 16 -0.799 5.161 -2.485 107 HD11 ILE 16 1HD1 ILE 16 -2.727 3.061 0.129 108 HD12 ILE 16 2HD1 ILE 16 -3.733 1.723 -0.428 109 HD13 ILE 16 3HD1 ILE 16 -2.144 1.989 -1.146 110 H ALA 17 H ALA 17 -2.965 3.997 -6.075 111 HA ALA 17 HA ALA 17 -5.353 2.301 -6.035 112 HB1 ALA 17 1HB ALA 17 -6.009 4.415 -7.102 113 HB2 ALA 17 2HB ALA 17 -4.720 4.204 -8.288 114 HB3 ALA 17 3HB ALA 17 -6.060 3.059 -8.229 115 H GLY 18 H GLY 18 -5.297 0.546 -7.515 116 HA2 GLY 18 1HA GLY 18 -3.706 -0.175 -9.503 117 HA3 GLY 18 2HA GLY 18 -2.570 -0.271 -8.165 118 HA PRO 19 HA PRO 19 -4.961 -4.299 -8.701 119 HB2 PRO 19 1HB PRO 19 -2.826 -5.852 -9.333 120 HB3 PRO 19 2HB PRO 19 -3.788 -5.001 -10.548 121 HG2 PRO 19 1HG PRO 19 -1.161 -4.233 -9.334 122 HG3 PRO 19 2HG PRO 19 -1.680 -4.144 -11.027 123 HD2 PRO 19 1HD PRO 19 -1.652 -1.983 -9.397 124 HD3 PRO 19 2HD PRO 19 -2.842 -2.181 -10.699 125 H GLY 20 H GLY 20 -1.753 -3.646 -7.319 126 HA2 GLY 20 1HA GLY 20 -1.548 -5.742 -5.531 127 HA3 GLY 20 2HA GLY 20 -0.880 -4.140 -5.253 128 H LEU 21 H LEU 21 -3.674 -3.009 -5.396 129 HA LEU 21 HA LEU 21 -4.415 -3.685 -2.632 130 HB2 LEU 21 1HB LEU 21 -5.240 -1.249 -4.194 131 HB3 LEU 21 2HB LEU 21 -5.392 -1.519 -2.459 132 HG LEU 21 HG LEU 21 -2.678 -1.456 -3.708 133 HD11 LEU 21 1HD1 LEU 21 -2.865 0.656 -4.350 134 HD12 LEU 21 2HD1 LEU 21 -3.247 1.106 -2.689 135 HD13 LEU 21 3HD1 LEU 21 -4.545 0.702 -3.814 136 HD21 LEU 21 1HD2 LEU 21 -2.171 -0.446 -1.463 137 HD22 LEU 21 2HD2 LEU 21 -2.732 -2.117 -1.429 138 HD23 LEU 21 3HD2 LEU 21 -3.836 -0.807 -1.007 139 H GLY 22 H GLY 22 -5.452 -3.885 -5.881 140 HA2 GLY 22 1HA GLY 22 -8.241 -3.801 -5.598 141 HA3 GLY 22 2HA GLY 22 -7.374 -4.677 -6.851 142 H SER 23 H SER 23 -9.565 -5.883 -6.191 143 HA SER 23 HA SER 23 -9.098 -7.741 -3.993 144 HB2 SER 23 1HB SER 23 -11.392 -8.487 -4.386 145 HB3 SER 23 2HB SER 23 -11.339 -6.728 -4.264 146 HG SER 23 HG SER 23 -11.096 -7.896 -6.793 147 H GLY 24 H GLY 24 -7.746 -7.654 -6.786 148 HA2 GLY 24 1HA GLY 24 -8.252 -10.486 -7.461 149 HA3 GLY 24 2HA GLY 24 -7.758 -9.275 -8.635 150 H VAL 25 H VAL 25 -6.488 -9.884 -5.381 151 HA VAL 25 HA VAL 25 -3.810 -10.102 -6.539 152 HB VAL 25 HB VAL 25 -4.717 -9.731 -3.683 153 HG11 VAL 25 1HG1 VAL 25 -2.387 -9.539 -3.074 154 HG12 VAL 25 2HG1 VAL 25 -2.669 -11.107 -3.833 155 HG13 VAL 25 3HG1 VAL 25 -1.896 -9.812 -4.745 156 HG21 VAL 25 1HG2 VAL 25 -3.904 -7.516 -3.867 157 HG22 VAL 25 2HG2 VAL 25 -3.123 -7.852 -5.412 158 HG23 VAL 25 3HG2 VAL 25 -4.883 -7.798 -5.306 159 H ARG 26 H ARG 26 -2.512 -11.876 -6.311 160 HA ARG 26 HA ARG 26 -3.740 -14.252 -5.073 161 HB2 ARG 26 1HB ARG 26 -1.983 -14.135 -7.533 162 HB3 ARG 26 2HB ARG 26 -2.583 -15.609 -6.783 163 HG2 ARG 26 1HG ARG 26 -4.875 -14.933 -7.273 164 HG3 ARG 26 2HG ARG 26 -4.280 -13.445 -8.012 165 HD2 ARG 26 1HD ARG 26 -3.293 -14.599 -9.800 166 HD3 ARG 26 2HD ARG 26 -3.374 -16.146 -8.958 167 HE ARG 26 HE ARG 26 -5.979 -15.394 -9.236 168 HH11 ARG 26 1HH1 ARG 26 -3.309 -15.836 -11.425 169 HH12 ARG 26 2HH1 ARG 26 -4.311 -16.298 -12.761 170 HH21 ARG 26 1HH2 ARG 26 -7.309 -16.000 -10.987 171 HH22 ARG 26 2HH2 ARG 26 -6.586 -16.390 -12.511 172 H ALA 27 H ALA 27 -2.366 -15.705 -4.004 173 HA ALA 27 HA ALA 27 -0.205 -14.533 -2.613 174 HB1 ALA 27 1HB ALA 27 -1.469 -16.247 -1.543 175 HB2 ALA 27 2HB ALA 27 -1.114 -17.396 -2.834 176 HB3 ALA 27 3HB ALA 27 0.173 -16.854 -1.756 177 H ARG 28 H ARG 28 2.019 -15.021 -2.672 178 HA ARG 28 HA ARG 28 4.022 -15.252 -3.729 179 HB2 ARG 28 1HB ARG 28 2.616 -17.637 -4.948 180 HB3 ARG 28 2HB ARG 28 4.353 -17.361 -4.973 181 HG2 ARG 28 1HG ARG 28 4.139 -17.278 -2.399 182 HG3 ARG 28 2HG ARG 28 2.588 -18.076 -2.671 183 HD2 ARG 28 1HD ARG 28 3.985 -19.699 -4.145 184 HD3 ARG 28 2HD ARG 28 5.355 -19.061 -3.239 185 HE ARG 28 HE ARG 28 3.280 -20.813 -2.258 186 HH11 ARG 28 1HH1 ARG 28 5.815 -18.573 -1.434 187 HH12 ARG 28 2HH1 ARG 28 6.025 -19.197 0.168 188 HH21 ARG 28 1HH2 ARG 28 3.547 -21.644 -0.151 189 HH22 ARG 28 2HH2 ARG 28 4.736 -20.945 0.897 190 H VAL 29 H VAL 29 2.302 -13.414 -4.931 191 HA VAL 29 HA VAL 29 3.158 -13.634 -7.737 192 HB VAL 29 HB VAL 29 0.439 -12.791 -6.741 193 HG11 VAL 29 1HG1 VAL 29 0.145 -12.441 -9.340 194 HG12 VAL 29 2HG1 VAL 29 0.732 -11.142 -8.300 195 HG13 VAL 29 3HG1 VAL 29 1.872 -12.093 -9.253 196 HG21 VAL 29 1HG2 VAL 29 0.086 -14.964 -7.186 197 HG22 VAL 29 2HG2 VAL 29 0.073 -14.444 -8.870 198 HG23 VAL 29 3HG2 VAL 29 1.547 -15.105 -8.164 199 H LEU 30 H LEU 30 3.822 -11.743 -8.705 200 HA LEU 30 HA LEU 30 4.794 -9.698 -7.009 201 HB2 LEU 30 1HB LEU 30 5.849 -10.356 -9.136 202 HB3 LEU 30 2HB LEU 30 4.475 -9.680 -10.007 203 HG LEU 30 HG LEU 30 5.141 -7.469 -8.803 204 HD11 LEU 30 1HD1 LEU 30 7.670 -9.092 -8.604 205 HD12 LEU 30 2HD1 LEU 30 6.780 -8.322 -7.291 206 HD13 LEU 30 3HD1 LEU 30 7.611 -7.332 -8.491 207 HD21 LEU 30 1HD2 LEU 30 6.036 -8.754 -11.252 208 HD22 LEU 30 2HD2 LEU 30 7.159 -7.520 -10.681 209 HD23 LEU 30 3HD2 LEU 30 5.471 -7.105 -10.978 210 H GLN 31 H GLN 31 3.598 -8.194 -6.059 211 HA GLN 31 HA GLN 31 1.297 -7.091 -7.531 212 HB2 GLN 31 1HB GLN 31 1.649 -7.198 -4.533 213 HB3 GLN 31 2HB GLN 31 0.221 -6.662 -5.407 214 HG2 GLN 31 1HG GLN 31 1.322 -9.459 -5.519 215 HG3 GLN 31 2HG GLN 31 0.034 -8.936 -4.436 216 HE21 GLN 31 1HE2 GLN 31 -0.427 -10.975 -6.151 217 HE22 GLN 31 2HE2 GLN 31 -1.509 -10.476 -7.403 218 H SER 32 H SER 32 1.187 -4.939 -7.838 219 HA SER 32 HA SER 32 2.892 -3.152 -6.292 220 HB2 SER 32 1HB SER 32 4.372 -3.696 -8.105 221 HB3 SER 32 2HB SER 32 3.088 -3.468 -9.294 222 HG SER 32 HG SER 32 4.770 -1.689 -8.695 223 H PHE 33 H PHE 33 2.229 -0.987 -6.328 224 HA PHE 33 HA PHE 33 -0.176 -0.329 -7.853 225 HB2 PHE 33 1HB PHE 33 -1.180 0.672 -5.749 226 HB3 PHE 33 2HB PHE 33 -1.160 -1.086 -5.826 227 HD1 PHE 33 1HD PHE 33 0.944 -2.217 -4.735 228 HD2 PHE 33 2HD PHE 33 -0.441 1.706 -3.835 229 HE1 PHE 33 1HE PHE 33 2.124 -2.300 -2.578 230 HE2 PHE 33 2HE PHE 33 0.737 1.630 -1.677 231 HZ PHE 33 HZ PHE 33 2.022 -0.375 -1.045 232 H THR 34 H THR 34 -0.771 2.065 -7.399 233 HA THR 34 HA THR 34 1.737 3.612 -7.391 234 HB THR 34 HB THR 34 -0.868 4.293 -8.769 235 HG1 THR 34 1HG THR 34 0.615 3.980 -10.656 236 HG21 THR 34 1HG2 THR 34 -0.080 6.378 -8.826 237 HG22 THR 34 2HG2 THR 34 1.253 5.790 -9.820 238 HG23 THR 34 3HG2 THR 34 1.432 5.880 -8.069 239 H VAL 35 H VAL 35 1.975 5.251 -5.987 240 HA VAL 35 HA VAL 35 -0.332 5.919 -4.279 241 HB VAL 35 HB VAL 35 2.595 6.162 -3.574 242 HG11 VAL 35 1HG1 VAL 35 1.900 7.402 -1.870 243 HG12 VAL 35 2HG1 VAL 35 0.227 7.244 -2.408 244 HG13 VAL 35 3HG1 VAL 35 0.916 6.053 -1.304 245 HG21 VAL 35 1HG2 VAL 35 1.193 3.823 -3.809 246 HG22 VAL 35 2HG2 VAL 35 2.601 4.069 -2.775 247 HG23 VAL 35 3HG2 VAL 35 0.977 4.222 -2.105 248 H ASP 36 H ASP 36 -1.188 7.768 -4.999 249 HA ASP 36 HA ASP 36 0.506 9.864 -6.087 250 HB2 ASP 36 1HB ASP 36 -1.687 9.231 -7.136 251 HB3 ASP 36 2HB ASP 36 -2.493 9.883 -5.712 252 H SER 37 H SER 37 1.606 10.862 -4.477 253 HA SER 37 HA SER 37 0.033 11.948 -2.235 254 HB2 SER 37 1HB SER 37 2.090 11.978 -0.933 255 HB3 SER 37 2HB SER 37 1.831 10.361 -1.584 256 HG SER 37 HG SER 37 3.545 12.338 -2.686 257 H SER 38 H SER 38 0.426 13.081 -4.953 258 HA SER 38 HA SER 38 2.227 15.282 -4.733 259 HB2 SER 38 1HB SER 38 1.198 16.068 -6.816 260 HB3 SER 38 2HB SER 38 1.562 14.345 -6.915 261 HG SER 38 HG SER 38 -0.980 15.366 -6.184 262 H LYS 39 H LYS 39 -1.224 14.834 -4.199 263 HA LYS 39 HA LYS 39 -1.747 17.616 -3.737 264 HB2 LYS 39 1HB LYS 39 -3.375 15.135 -3.167 265 HB3 LYS 39 2HB LYS 39 -3.959 16.773 -2.905 266 HG2 LYS 39 1HG LYS 39 -2.965 15.872 -5.585 267 HG3 LYS 39 2HG LYS 39 -4.630 15.599 -5.067 268 HD2 LYS 39 1HD LYS 39 -4.649 18.121 -4.539 269 HD3 LYS 39 2HD LYS 39 -3.206 18.195 -5.554 270 HE2 LYS 39 1HE LYS 39 -5.832 17.007 -6.438 271 HE3 LYS 39 2HE LYS 39 -5.355 18.677 -6.745 272 HZ1 LYS 39 1HZ LYS 39 -3.719 18.033 -8.207 273 HZ2 LYS 39 2HZ LYS 39 -4.912 16.877 -8.524 274 HZ3 LYS 39 3HZ LYS 39 -3.580 16.475 -7.561 275 H ALA 40 H ALA 40 -0.459 15.069 -1.881 276 HA ALA 40 HA ALA 40 -1.292 16.044 0.692 277 HB1 ALA 40 1HB ALA 40 -0.887 13.800 0.827 278 HB2 ALA 40 2HB ALA 40 0.478 13.865 -0.288 279 HB3 ALA 40 3HB ALA 40 0.670 14.420 1.376 280 H GLY 41 H GLY 41 1.589 16.305 -1.332 281 HA2 GLY 41 1HA GLY 41 2.587 18.651 -0.943 282 HA3 GLY 41 2HA GLY 41 2.820 18.053 0.692 283 H LEU 42 H LEU 42 4.999 17.968 0.820 284 HA LEU 42 HA LEU 42 6.387 16.302 -1.176 285 HB2 LEU 42 1HB LEU 42 8.431 17.585 -0.574 286 HB3 LEU 42 2HB LEU 42 7.181 18.535 -1.374 287 HG LEU 42 HG LEU 42 8.486 19.537 0.637 288 HD11 LEU 42 1HD1 LEU 42 6.761 20.798 -0.318 289 HD12 LEU 42 2HD1 LEU 42 6.329 20.675 1.386 290 HD13 LEU 42 3HD1 LEU 42 5.520 19.656 0.196 291 HD21 LEU 42 1HD2 LEU 42 6.390 17.910 2.072 292 HD22 LEU 42 2HD2 LEU 42 7.448 19.121 2.798 293 HD23 LEU 42 3HD2 LEU 42 8.130 17.634 2.138 294 H ALA 43 H ALA 43 5.047 15.693 1.481 295 HA ALA 43 HA ALA 43 7.201 14.941 3.234 296 HB1 ALA 43 1HB ALA 43 4.893 13.559 4.004 297 HB2 ALA 43 2HB ALA 43 5.528 15.057 4.688 298 HB3 ALA 43 3HB ALA 43 4.337 15.116 3.388 299 HA PRO 44 HA PRO 44 8.117 10.951 1.641 300 HB2 PRO 44 1HB PRO 44 8.817 9.652 3.920 301 HB3 PRO 44 2HB PRO 44 9.837 10.881 3.162 302 HG2 PRO 44 1HG PRO 44 7.967 11.140 5.486 303 HG3 PRO 44 2HG PRO 44 9.600 11.803 5.284 304 HD2 PRO 44 1HD PRO 44 7.369 13.293 4.921 305 HD3 PRO 44 2HD PRO 44 8.862 13.568 4.000 306 H LEU 45 H LEU 45 7.536 8.646 1.816 307 HA LEU 45 HA LEU 45 4.907 8.238 3.080 308 HB2 LEU 45 1HB LEU 45 4.530 8.481 0.734 309 HB3 LEU 45 2HB LEU 45 5.845 7.372 0.354 310 HG LEU 45 HG LEU 45 4.301 5.696 1.733 311 HD11 LEU 45 1HD1 LEU 45 2.359 7.661 0.526 312 HD12 LEU 45 2HD1 LEU 45 2.599 7.362 2.247 313 HD13 LEU 45 3HD1 LEU 45 1.947 6.089 1.215 314 HD21 LEU 45 1HD2 LEU 45 4.766 4.889 -0.321 315 HD22 LEU 45 2HD2 LEU 45 4.494 6.440 -1.114 316 HD23 LEU 45 3HD2 LEU 45 3.122 5.423 -0.669 317 H GLU 46 H GLU 46 4.635 6.389 4.206 318 HA GLU 46 HA GLU 46 6.868 4.467 4.184 319 HB2 GLU 46 1HB GLU 46 5.199 5.560 6.416 320 HB3 GLU 46 2HB GLU 46 5.896 3.952 6.564 321 HG2 GLU 46 1HG GLU 46 8.122 5.067 5.980 322 HG3 GLU 46 2HG GLU 46 7.299 6.587 6.325 323 H VAL 47 H VAL 47 6.425 2.293 4.124 324 HA VAL 47 HA VAL 47 3.594 1.512 3.904 325 HB VAL 47 HB VAL 47 5.830 0.528 2.124 326 HG11 VAL 47 1HG1 VAL 47 2.908 -0.080 1.816 327 HG12 VAL 47 2HG1 VAL 47 4.292 -0.894 1.084 328 HG13 VAL 47 3HG1 VAL 47 3.962 -1.090 2.806 329 HG21 VAL 47 1HG2 VAL 47 5.354 2.234 0.787 330 HG22 VAL 47 2HG2 VAL 47 3.692 1.658 0.658 331 HG23 VAL 47 3HG2 VAL 47 4.131 2.808 1.921 332 H ARG 48 H ARG 48 3.046 -0.462 4.756 333 HA ARG 48 HA ARG 48 5.131 -2.239 5.733 334 HB2 ARG 48 1HB ARG 48 4.925 -0.839 7.643 335 HB3 ARG 48 2HB ARG 48 3.171 -0.812 7.522 336 HG2 ARG 48 1HG ARG 48 2.931 -2.868 8.485 337 HG3 ARG 48 2HG ARG 48 4.513 -3.428 7.941 338 HD2 ARG 48 1HD ARG 48 4.313 -1.215 9.939 339 HD3 ARG 48 2HD ARG 48 4.118 -2.888 10.458 340 HE ARG 48 HE ARG 48 6.437 -2.776 8.940 341 HH11 ARG 48 1HH1 ARG 48 5.222 -1.435 11.915 342 HH12 ARG 48 2HH1 ARG 48 6.785 -1.322 12.654 343 HH21 ARG 48 1HH2 ARG 48 8.500 -2.632 9.902 344 HH22 ARG 48 2HH2 ARG 48 8.649 -2.003 11.509 345 H VAL 49 H VAL 49 4.481 -4.353 5.928 346 HA VAL 49 HA VAL 49 1.672 -4.920 5.229 347 HB VAL 49 HB VAL 49 4.090 -6.548 4.432 348 HG11 VAL 49 1HG1 VAL 49 2.400 -7.700 2.965 349 HG12 VAL 49 2HG1 VAL 49 2.226 -7.997 4.696 350 HG13 VAL 49 3HG1 VAL 49 1.147 -6.865 3.880 351 HG21 VAL 49 1HG2 VAL 49 4.256 -5.340 2.569 352 HG22 VAL 49 2HG2 VAL 49 2.523 -5.462 2.262 353 HG23 VAL 49 3HG2 VAL 49 3.148 -4.181 3.302 354 H LEU 50 H LEU 50 0.589 -6.313 6.495 355 HA LEU 50 HA LEU 50 2.123 -7.832 8.501 356 HB2 LEU 50 1HB LEU 50 -0.256 -6.074 8.806 357 HB3 LEU 50 2HB LEU 50 -0.146 -7.508 9.823 358 HG LEU 50 HG LEU 50 0.674 -5.540 10.990 359 HD11 LEU 50 1HD1 LEU 50 3.267 -6.628 10.825 360 HD12 LEU 50 2HD1 LEU 50 2.136 -7.954 10.566 361 HD13 LEU 50 3HD1 LEU 50 2.017 -6.967 12.022 362 HD21 LEU 50 1HD2 LEU 50 3.097 -5.252 9.364 363 HD22 LEU 50 2HD2 LEU 50 2.090 -4.025 10.132 364 HD23 LEU 50 3HD2 LEU 50 1.612 -4.710 8.578 365 H GLY 51 H GLY 51 1.648 -9.945 8.689 366 HA2 GLY 51 1HA GLY 51 -0.182 -11.108 6.787 367 HA3 GLY 51 2HA GLY 51 0.850 -11.980 7.912 368 HA PRO 52 HA PRO 52 -3.693 -11.968 9.260 369 HB2 PRO 52 1HB PRO 52 -4.204 -14.596 8.805 370 HB3 PRO 52 2HB PRO 52 -4.471 -13.341 7.589 371 HG2 PRO 52 1HG PRO 52 -2.168 -15.230 7.889 372 HG3 PRO 52 2HG PRO 52 -3.029 -14.740 6.418 373 HD2 PRO 52 1HD PRO 52 -0.640 -13.681 7.128 374 HD3 PRO 52 2HD PRO 52 -1.875 -12.752 6.251 375 H ARG 53 H ARG 53 -1.228 -14.512 9.610 376 HA ARG 53 HA ARG 53 -2.142 -15.190 12.264 377 HB2 ARG 53 1HB ARG 53 0.419 -16.096 10.958 378 HB3 ARG 53 2HB ARG 53 -0.483 -16.892 12.241 379 HG2 ARG 53 1HG ARG 53 -1.295 -18.173 10.607 380 HG3 ARG 53 2HG ARG 53 -2.330 -16.792 10.240 381 HD2 ARG 53 1HD ARG 53 -0.511 -15.976 8.706 382 HD3 ARG 53 2HD ARG 53 0.291 -17.527 8.952 383 HE ARG 53 HE ARG 53 -1.959 -17.006 7.276 384 HH11 ARG 53 1HH1 ARG 53 -0.433 -19.425 9.261 385 HH12 ARG 53 2HH1 ARG 53 -1.125 -20.758 8.396 386 HH21 ARG 53 1HH2 ARG 53 -2.877 -18.753 6.131 387 HH22 ARG 53 2HH2 ARG 53 -2.515 -20.375 6.616 388 H GLY 54 H GLY 54 0.464 -13.344 10.800 389 HA2 GLY 54 1HA GLY 54 1.024 -11.432 12.452 390 HA3 GLY 54 2HA GLY 54 1.557 -12.763 13.468 391 H LEU 55 H LEU 55 1.946 -12.724 9.987 392 HA LEU 55 HA LEU 55 4.832 -12.903 10.347 393 HB2 LEU 55 1HB LEU 55 3.871 -14.558 8.922 394 HB3 LEU 55 2HB LEU 55 3.030 -13.333 7.974 395 HG LEU 55 HG LEU 55 5.479 -12.526 7.447 396 HD11 LEU 55 1HD1 LEU 55 6.096 -15.426 7.612 397 HD12 LEU 55 2HD1 LEU 55 6.231 -14.461 9.082 398 HD13 LEU 55 3HD1 LEU 55 7.175 -14.031 7.655 399 HD21 LEU 55 1HD2 LEU 55 3.568 -13.777 6.047 400 HD22 LEU 55 2HD2 LEU 55 4.817 -15.023 6.008 401 HD23 LEU 55 3HD2 LEU 55 5.160 -13.408 5.387 402 H VAL 56 H VAL 56 6.316 -11.523 9.383 403 HA VAL 56 HA VAL 56 5.214 -8.928 8.533 404 HB VAL 56 HB VAL 56 7.911 -9.546 9.748 405 HG11 VAL 56 1HG1 VAL 56 6.731 -6.858 9.061 406 HG12 VAL 56 2HG1 VAL 56 8.339 -7.186 9.712 407 HG13 VAL 56 3HG1 VAL 56 7.927 -7.701 8.077 408 HG21 VAL 56 1HG2 VAL 56 5.558 -9.397 11.062 409 HG22 VAL 56 2HG2 VAL 56 7.106 -8.922 11.761 410 HG23 VAL 56 3HG2 VAL 56 6.037 -7.700 11.073 411 H GLU 57 H GLU 57 5.527 -8.300 6.503 412 HA GLU 57 HA GLU 57 7.651 -9.625 4.944 413 HB2 GLU 57 1HB GLU 57 5.022 -8.572 3.888 414 HB3 GLU 57 2HB GLU 57 6.247 -9.442 2.975 415 HG2 GLU 57 1HG GLU 57 4.639 -11.051 3.399 416 HG3 GLU 57 2HG GLU 57 5.855 -11.349 4.640 417 HA PRO 58 HA PRO 58 9.358 -5.623 4.267 418 HB2 PRO 58 1HB PRO 58 10.808 -6.161 2.035 419 HB3 PRO 58 2HB PRO 58 11.280 -6.718 3.645 420 HG2 PRO 58 1HG PRO 58 9.879 -8.210 1.461 421 HG3 PRO 58 2HG PRO 58 11.192 -8.752 2.522 422 HD2 PRO 58 1HD PRO 58 8.603 -9.428 2.943 423 HD3 PRO 58 2HD PRO 58 9.759 -9.202 4.272 424 H VAL 59 H VAL 59 9.602 -3.981 2.487 425 HA VAL 59 HA VAL 59 7.599 -4.221 0.368 426 HB VAL 59 HB VAL 59 6.746 -1.933 0.865 427 HG11 VAL 59 1HG1 VAL 59 5.245 -2.615 2.638 428 HG12 VAL 59 2HG1 VAL 59 5.525 -3.967 1.539 429 HG13 VAL 59 3HG1 VAL 59 6.341 -3.915 3.102 430 HG21 VAL 59 1HG2 VAL 59 8.312 -0.857 2.170 431 HG22 VAL 59 2HG2 VAL 59 7.102 -1.304 3.373 432 HG23 VAL 59 3HG2 VAL 59 8.573 -2.262 3.205 433 H ASN 60 H ASN 60 7.748 -2.370 -1.190 434 HA ASN 60 HA ASN 60 10.508 -1.354 -1.357 435 HB2 ASN 60 1HB ASN 60 10.071 -3.205 -2.969 436 HB3 ASN 60 2HB ASN 60 8.792 -2.231 -3.690 437 HD21 ASN 60 1HD2 ASN 60 9.320 -0.952 -5.312 438 HD22 ASN 60 2HD2 ASN 60 10.924 -0.480 -5.746 439 H VAL 61 H VAL 61 10.794 0.727 -2.091 440 HA VAL 61 HA VAL 61 8.377 2.270 -2.743 441 HB VAL 61 HB VAL 61 8.849 2.708 -0.401 442 HG11 VAL 61 1HG1 VAL 61 11.568 3.684 -1.262 443 HG12 VAL 61 2HG1 VAL 61 10.934 3.589 0.382 444 HG13 VAL 61 3HG1 VAL 61 11.269 2.112 -0.521 445 HG21 VAL 61 1HG2 VAL 61 9.469 5.231 -0.680 446 HG22 VAL 61 2HG2 VAL 61 9.355 4.867 -2.402 447 HG23 VAL 61 3HG2 VAL 61 7.961 4.612 -1.352 448 H VAL 62 H VAL 62 8.624 3.198 -4.656 449 HA VAL 62 HA VAL 62 11.252 4.297 -5.377 450 HB VAL 62 HB VAL 62 9.497 2.694 -7.243 451 HG11 VAL 62 1HG1 VAL 62 12.248 3.746 -7.826 452 HG12 VAL 62 2HG1 VAL 62 11.040 3.125 -8.954 453 HG13 VAL 62 3HG1 VAL 62 10.799 4.688 -8.173 454 HG21 VAL 62 1HG2 VAL 62 11.146 0.997 -7.189 455 HG22 VAL 62 2HG2 VAL 62 12.274 2.018 -6.299 456 HG23 VAL 62 3HG2 VAL 62 10.819 1.414 -5.507 457 H ASP 63 H ASP 63 11.085 6.377 -5.860 458 HA ASP 63 HA ASP 63 8.538 7.632 -6.222 459 HB2 ASP 63 1HB ASP 63 10.619 8.619 -5.085 460 HB3 ASP 63 2HB ASP 63 11.207 8.938 -6.716 461 H ASN 64 H ASN 64 7.589 8.373 -8.051 462 HA ASN 64 HA ASN 64 8.559 7.336 -10.559 463 HB2 ASN 64 1HB ASN 64 6.109 8.947 -9.824 464 HB3 ASN 64 2HB ASN 64 6.461 8.412 -11.465 465 HD21 ASN 64 1HD2 ASN 64 6.113 7.184 -8.164 466 HD22 ASN 64 2HD2 ASN 64 5.385 5.683 -8.615 467 H GLY 65 H GLY 65 8.119 10.519 -9.078 468 HA2 GLY 65 1HA GLY 65 9.814 12.210 -9.576 469 HA3 GLY 65 2HA GLY 65 9.796 11.637 -11.237 470 H ASP 66 H ASP 66 6.851 11.412 -11.246 471 HA ASP 66 HA ASP 66 6.305 14.155 -11.977 472 HB2 ASP 66 1HB ASP 66 4.062 13.184 -12.657 473 HB3 ASP 66 2HB ASP 66 5.467 12.526 -13.491 474 H GLY 67 H GLY 67 5.004 11.789 -9.662 475 HA2 GLY 67 1HA GLY 67 4.627 13.455 -7.532 476 HA3 GLY 67 2HA GLY 67 3.181 13.684 -8.503 477 H THR 68 H THR 68 4.877 10.631 -8.338 478 HA THR 68 HA THR 68 2.920 9.559 -6.451 479 HB THR 68 HB THR 68 2.340 7.678 -7.880 480 HG1 THR 68 1HG THR 68 3.520 7.255 -9.576 481 HG21 THR 68 1HG2 THR 68 1.916 10.147 -9.543 482 HG22 THR 68 2HG2 THR 68 1.100 9.918 -7.996 483 HG23 THR 68 3HG2 THR 68 0.833 8.775 -9.312 484 H HIS 69 H HIS 69 3.439 7.070 -6.188 485 HA HIS 69 HA HIS 69 6.299 6.538 -6.369 486 HB2 HIS 69 1HB HIS 69 4.836 6.362 -3.730 487 HB3 HIS 69 2HB HIS 69 6.540 6.028 -4.016 488 HD1 HIS 69 1HD HIS 69 7.994 7.874 -3.284 489 HD2 HIS 69 2HD HIS 69 4.283 9.255 -4.538 490 HE1 HIS 69 1HE HIS 69 8.058 10.366 -2.952 491 HE2 HIS 69 2HE HIS 69 5.771 11.169 -3.638 492 H THR 70 H THR 70 6.654 4.494 -6.935 493 HA THR 70 HA THR 70 4.414 2.643 -6.996 494 HB THR 70 HB THR 70 7.224 2.360 -8.078 495 HG1 THR 70 1HG THR 70 6.369 3.602 -9.570 496 HG21 THR 70 1HG2 THR 70 6.545 0.359 -9.135 497 HG22 THR 70 2HG2 THR 70 4.849 0.633 -8.736 498 HG23 THR 70 3HG2 THR 70 5.998 0.216 -7.466 499 H VAL 71 H VAL 71 4.248 0.775 -5.848 500 HA VAL 71 HA VAL 71 6.429 0.123 -3.980 501 HB VAL 71 HB VAL 71 3.480 0.097 -3.318 502 HG11 VAL 71 1HG1 VAL 71 5.059 -0.153 -1.008 503 HG12 VAL 71 2HG1 VAL 71 4.002 -1.367 -1.731 504 HG13 VAL 71 3HG1 VAL 71 5.708 -1.302 -2.178 505 HG21 VAL 71 1HG2 VAL 71 4.261 2.353 -3.331 506 HG22 VAL 71 2HG2 VAL 71 4.150 1.838 -1.648 507 HG23 VAL 71 3HG2 VAL 71 5.721 1.913 -2.445 508 H THR 72 H THR 72 7.188 -1.780 -4.635 509 HA THR 72 HA THR 72 5.349 -3.778 -5.729 510 HB THR 72 HB THR 72 7.417 -5.006 -6.379 511 HG1 THR 72 1HG THR 72 9.339 -4.280 -5.792 512 HG21 THR 72 1HG2 THR 72 8.112 -3.423 -8.142 513 HG22 THR 72 2HG2 THR 72 7.236 -2.139 -7.311 514 HG23 THR 72 3HG2 THR 72 6.359 -3.514 -7.978 515 H TYR 73 H TYR 73 5.014 -5.758 -4.814 516 HA TYR 73 HA TYR 73 6.587 -6.700 -2.598 517 HB2 TYR 73 1HB TYR 73 5.063 -6.482 -0.858 518 HB3 TYR 73 2HB TYR 73 4.858 -4.957 -1.712 519 HD1 TYR 73 2HD TYR 73 3.332 -8.191 -0.919 520 HD2 TYR 73 1HD TYR 73 2.828 -4.489 -2.957 521 HE1 TYR 73 2HE TYR 73 0.927 -8.652 -1.153 522 HE2 TYR 73 1HE TYR 73 0.422 -4.940 -3.194 523 HH TYR 73 HH TYR 73 -1.318 -6.354 -1.939 524 H THR 74 H THR 74 5.557 -8.753 -1.669 525 HA THR 74 HA THR 74 3.850 -10.155 -3.574 526 HB THR 74 HB THR 74 6.527 -11.288 -2.743 527 HG1 THR 74 1HG THR 74 5.759 -9.718 -4.875 528 HG21 THR 74 1HG2 THR 74 4.266 -12.646 -3.443 529 HG22 THR 74 2HG2 THR 74 5.909 -13.243 -3.672 530 HG23 THR 74 3HG2 THR 74 5.065 -12.452 -5.003 531 HA PRO 75 HA PRO 75 2.331 -11.415 0.440 532 HB2 PRO 75 1HB PRO 75 0.162 -12.739 -0.515 533 HB3 PRO 75 2HB PRO 75 0.228 -10.978 -0.378 534 HG2 PRO 75 1HG PRO 75 0.663 -12.710 -2.782 535 HG3 PRO 75 2HG PRO 75 -0.243 -11.191 -2.645 536 HD2 PRO 75 1HD PRO 75 2.266 -11.304 -3.656 537 HD3 PRO 75 2HD PRO 75 1.661 -9.898 -2.756 538 H SER 76 H SER 76 4.021 -12.872 0.936 539 HA SER 76 HA SER 76 4.802 -15.197 -0.125 540 HB2 SER 76 1HB SER 76 4.283 -14.556 2.775 541 HB3 SER 76 2HB SER 76 5.005 -16.087 2.279 542 HG SER 76 HG SER 76 6.567 -14.463 2.776 543 H GLN 77 H GLN 77 1.956 -14.925 2.001 544 HA GLN 77 HA GLN 77 0.869 -17.328 0.701 545 HB2 GLN 77 1HB GLN 77 -0.090 -17.991 2.915 546 HB3 GLN 77 2HB GLN 77 1.663 -18.090 2.828 547 HG2 GLN 77 1HG GLN 77 1.490 -15.644 3.812 548 HG3 GLN 77 2HG GLN 77 -0.061 -16.252 4.388 549 HE21 GLN 77 1HE2 GLN 77 0.437 -16.318 6.527 550 HE22 GLN 77 2HE2 GLN 77 1.620 -17.380 7.204 551 H GLU 78 H GLU 78 -1.504 -17.539 0.985 552 HA GLU 78 HA GLU 78 -2.768 -15.023 0.417 553 HB2 GLU 78 1HB GLU 78 -4.777 -16.347 0.020 554 HB3 GLU 78 2HB GLU 78 -3.393 -17.065 -0.793 555 HG2 GLU 78 1HG GLU 78 -4.213 -18.012 1.919 556 HG3 GLU 78 2HG GLU 78 -5.049 -18.583 0.476 557 H GLY 79 H GLY 79 -4.972 -14.572 1.463 558 HA2 GLY 79 1HA GLY 79 -6.216 -15.032 3.610 559 HA3 GLY 79 2HA GLY 79 -4.651 -14.846 4.387 560 HA PRO 80 HA PRO 80 -7.001 -10.751 4.103 561 HB2 PRO 80 1HB PRO 80 -7.444 -10.429 6.763 562 HB3 PRO 80 2HB PRO 80 -8.579 -11.260 5.692 563 HG2 PRO 80 1HG PRO 80 -6.531 -12.414 7.546 564 HG3 PRO 80 2HG PRO 80 -8.202 -12.933 7.264 565 HD2 PRO 80 1HD PRO 80 -6.079 -14.184 6.141 566 HD3 PRO 80 2HD PRO 80 -7.657 -14.071 5.335 567 H TYR 81 H TYR 81 -4.799 -10.143 3.494 568 HA TYR 81 HA TYR 81 -2.841 -9.646 5.530 569 HB2 TYR 81 1HB TYR 81 -3.030 -9.247 2.589 570 HB3 TYR 81 2HB TYR 81 -1.880 -8.243 3.465 571 HD1 TYR 81 1HD TYR 81 -2.854 -11.791 4.055 572 HD2 TYR 81 2HD TYR 81 0.215 -9.082 2.895 573 HE1 TYR 81 1HE TYR 81 -1.234 -13.641 4.040 574 HE2 TYR 81 2HE TYR 81 1.844 -10.926 2.877 575 HH TYR 81 HH TYR 81 1.603 -13.606 4.347 576 H MET 82 H MET 82 -1.799 -7.360 5.533 577 HA MET 82 HA MET 82 -3.788 -5.231 5.393 578 HB2 MET 82 1HB MET 82 -3.892 -6.218 7.694 579 HB3 MET 82 2HB MET 82 -2.210 -5.754 7.916 580 HG2 MET 82 1HG MET 82 -2.696 -3.512 8.022 581 HG3 MET 82 2HG MET 82 -4.199 -3.687 7.118 582 HE1 MET 82 1HE MET 82 -3.007 -4.727 11.202 583 HE2 MET 82 2HE MET 82 -2.294 -3.563 10.085 584 HE3 MET 82 3HE MET 82 -3.501 -3.034 11.259 585 H VAL 83 H VAL 83 -2.851 -3.708 4.212 586 HA VAL 83 HA VAL 83 0.055 -3.331 4.406 587 HB VAL 83 HB VAL 83 -1.875 -2.391 2.280 588 HG11 VAL 83 1HG1 VAL 83 1.010 -2.354 1.738 589 HG12 VAL 83 2HG1 VAL 83 -0.240 -1.178 1.327 590 HG13 VAL 83 3HG1 VAL 83 0.469 -1.186 2.942 591 HG21 VAL 83 1HG2 VAL 83 -1.141 -4.123 0.931 592 HG22 VAL 83 2HG2 VAL 83 0.331 -4.370 1.869 593 HG23 VAL 83 3HG2 VAL 83 -1.224 -4.894 2.514 594 H SER 84 H SER 84 0.311 -1.985 6.138 595 HA SER 84 HA SER 84 -1.345 0.345 6.497 596 HB2 SER 84 1HB SER 84 -0.540 -0.748 8.483 597 HB3 SER 84 2HB SER 84 1.130 -0.634 7.931 598 HG SER 84 HG SER 84 0.233 1.001 9.515 599 H VAL 85 H VAL 85 -0.841 2.452 6.091 600 HA VAL 85 HA VAL 85 1.778 3.044 4.902 601 HB VAL 85 HB VAL 85 -0.851 3.965 3.731 602 HG11 VAL 85 1HG1 VAL 85 1.602 5.207 3.627 603 HG12 VAL 85 2HG1 VAL 85 1.564 4.270 2.131 604 HG13 VAL 85 3HG1 VAL 85 0.281 5.430 2.480 605 HG21 VAL 85 1HG2 VAL 85 0.617 2.530 1.833 606 HG22 VAL 85 2HG2 VAL 85 0.686 1.568 3.310 607 HG23 VAL 85 3HG2 VAL 85 -0.875 2.032 2.632 608 H LYS 86 H LYS 86 2.595 5.039 5.367 609 HA LYS 86 HA LYS 86 0.899 6.862 6.935 610 HB2 LYS 86 1HB LYS 86 2.755 5.399 8.150 611 HB3 LYS 86 2HB LYS 86 3.808 6.677 7.557 612 HG2 LYS 86 1HG LYS 86 2.565 8.340 8.751 613 HG3 LYS 86 2HG LYS 86 1.344 7.154 9.219 614 HD2 LYS 86 1HD LYS 86 3.181 5.901 10.405 615 HD3 LYS 86 2HD LYS 86 4.218 7.299 10.111 616 HE2 LYS 86 1HE LYS 86 3.419 7.783 12.208 617 HE3 LYS 86 2HE LYS 86 2.238 8.617 11.201 618 HZ1 LYS 86 1HZ LYS 86 1.470 7.063 13.123 619 HZ2 LYS 86 2HZ LYS 86 1.724 5.835 11.988 620 HZ3 LYS 86 3HZ LYS 86 0.625 7.079 11.658 621 H TYR 87 H TYR 87 1.947 9.085 7.112 622 HA TYR 87 HA TYR 87 3.688 9.818 4.917 623 HB2 TYR 87 1HB TYR 87 1.167 9.754 4.164 624 HB3 TYR 87 2HB TYR 87 1.082 11.289 5.022 625 HD1 TYR 87 1HD TYR 87 2.964 9.520 2.340 626 HD2 TYR 87 2HD TYR 87 1.755 13.261 3.967 627 HE1 TYR 87 1HE TYR 87 3.870 10.667 0.361 628 HE2 TYR 87 2HE TYR 87 2.657 14.418 1.992 629 HH TYR 87 HH TYR 87 3.979 14.180 0.164 630 H ALA 88 H ALA 88 5.144 10.937 6.044 631 HA ALA 88 HA ALA 88 6.089 12.572 7.316 632 HB1 ALA 88 1HB ALA 88 5.140 14.669 7.295 633 HB2 ALA 88 2HB ALA 88 4.333 13.904 5.925 634 HB3 ALA 88 3HB ALA 88 3.499 14.047 7.471 635 H ASP 89 H ASP 89 5.163 10.333 8.659 636 HA ASP 89 HA ASP 89 4.782 9.557 10.763 637 HB2 ASP 89 1HB ASP 89 5.356 12.452 11.384 638 HB3 ASP 89 2HB ASP 89 5.016 11.270 12.644 639 H GLU 90 H GLU 90 2.557 10.236 9.136 640 HA GLU 90 HA GLU 90 0.547 10.529 11.221 641 HB2 GLU 90 1HB GLU 90 0.624 12.291 8.766 642 HB3 GLU 90 2HB GLU 90 -0.742 12.169 9.867 643 HG2 GLU 90 1HG GLU 90 1.091 12.795 11.656 644 HG3 GLU 90 2HG GLU 90 1.892 13.482 10.245 645 H GLU 91 H GLU 91 -0.402 8.596 10.985 646 HA GLU 91 HA GLU 91 -0.586 7.053 8.701 647 HB2 GLU 91 1HB GLU 91 -2.032 7.156 11.284 648 HB3 GLU 91 2HB GLU 91 -2.827 6.281 9.983 649 HG2 GLU 91 1HG GLU 91 -1.259 4.634 9.938 650 HG3 GLU 91 2HG GLU 91 0.033 5.695 10.499 651 H ILE 92 H ILE 92 -1.545 7.413 6.824 652 HA ILE 92 HA ILE 92 -3.262 9.540 6.274 653 HB ILE 92 HB ILE 92 -3.726 8.441 4.133 654 HG12 ILE 92 1HG1 ILE 92 -2.112 6.108 5.174 655 HG13 ILE 92 2HG1 ILE 92 -3.872 6.124 5.127 656 HG21 ILE 92 1HG2 ILE 92 -1.519 9.607 4.711 657 HG22 ILE 92 2HG2 ILE 92 -0.828 7.985 4.752 658 HG23 ILE 92 3HG2 ILE 92 -1.561 8.594 3.268 659 HD11 ILE 92 1HD1 ILE 92 -3.739 5.301 3.081 660 HD12 ILE 92 2HD1 ILE 92 -3.063 6.845 2.561 661 HD13 ILE 92 3HD1 ILE 92 -1.991 5.531 3.044 662 HA PRO 93 HA PRO 93 -7.267 8.248 7.530 663 HB2 PRO 93 1HB PRO 93 -8.807 9.448 5.643 664 HB3 PRO 93 2HB PRO 93 -7.994 10.344 6.932 665 HG2 PRO 93 1HG PRO 93 -7.168 9.960 4.079 666 HG3 PRO 93 2HG PRO 93 -7.121 11.430 5.070 667 HD2 PRO 93 1HD PRO 93 -4.926 9.914 4.607 668 HD3 PRO 93 2HD PRO 93 -5.165 10.811 6.121 669 H ARG 94 H ARG 94 -5.755 6.969 4.919 670 HA ARG 94 HA ARG 94 -8.074 5.302 4.192 671 HB2 ARG 94 1HB ARG 94 -5.668 6.077 2.537 672 HB3 ARG 94 2HB ARG 94 -6.853 4.874 2.046 673 HG2 ARG 94 1HG ARG 94 -8.606 6.611 2.147 674 HG3 ARG 94 2HG ARG 94 -7.360 7.801 2.529 675 HD2 ARG 94 1HD ARG 94 -7.800 7.936 0.188 676 HD3 ARG 94 2HD ARG 94 -6.222 7.179 0.396 677 HE ARG 94 HE ARG 94 -7.056 5.254 -0.530 678 HH11 ARG 94 1HH1 ARG 94 -9.690 7.373 0.299 679 HH12 ARG 94 2HH1 ARG 94 -10.887 6.412 -0.504 680 HH21 ARG 94 1HH2 ARG 94 -8.622 3.981 -1.591 681 HH22 ARG 94 2HH2 ARG 94 -10.279 4.482 -1.578 682 H SER 95 H SER 95 -5.494 5.249 6.099 683 HA SER 95 HA SER 95 -4.874 2.423 5.530 684 HB2 SER 95 1HB SER 95 -2.781 3.323 5.303 685 HB3 SER 95 2HB SER 95 -3.150 4.708 6.330 686 HG SER 95 HG SER 95 -2.533 3.616 8.044 687 HA PRO 96 HA PRO 96 -3.393 1.006 6.740 688 HB2 PRO 96 1HB PRO 96 -4.242 -1.467 7.469 689 HB3 PRO 96 2HB PRO 96 -3.138 -0.501 8.455 690 HG2 PRO 96 1HG PRO 96 -6.093 -0.880 8.739 691 HG3 PRO 96 2HG PRO 96 -4.842 -0.867 9.995 692 HD2 PRO 96 1HD PRO 96 -6.420 1.274 9.490 693 HD3 PRO 96 2HD PRO 96 -4.744 1.436 10.051 694 H PHE 97 H PHE 97 -3.776 -0.957 5.223 695 HA PHE 97 HA PHE 97 -6.350 -0.556 3.846 696 HB2 PHE 97 1HB PHE 97 -3.602 -1.120 2.735 697 HB3 PHE 97 2HB PHE 97 -5.070 -1.290 1.778 698 HD1 PHE 97 2HD PHE 97 -2.950 1.108 3.607 699 HD2 PHE 97 1HD PHE 97 -6.172 0.595 0.873 700 HE1 PHE 97 2HE PHE 97 -2.865 3.506 3.062 701 HE2 PHE 97 1HE PHE 97 -6.092 2.992 0.324 702 HZ PHE 97 HZ PHE 97 -4.438 4.451 1.419 703 H LYS 98 H LYS 98 -7.658 -2.247 3.889 704 HA LYS 98 HA LYS 98 -6.718 -4.835 4.734 705 HB2 LYS 98 1HB LYS 98 -9.080 -5.494 4.593 706 HB3 LYS 98 2HB LYS 98 -8.879 -4.007 5.510 707 HG2 LYS 98 1HG LYS 98 -9.382 -2.849 3.241 708 HG3 LYS 98 2HG LYS 98 -10.067 -4.416 2.803 709 HD2 LYS 98 1HD LYS 98 -11.877 -3.197 3.662 710 HD3 LYS 98 2HD LYS 98 -11.384 -4.252 4.987 711 HE2 LYS 98 1HE LYS 98 -10.082 -2.385 5.943 712 HE3 LYS 98 2HE LYS 98 -10.663 -1.341 4.647 713 HZ1 LYS 98 1HZ LYS 98 -12.501 -2.758 6.486 714 HZ2 LYS 98 2HZ LYS 98 -12.852 -1.469 5.450 715 HZ3 LYS 98 3HZ LYS 98 -11.895 -1.215 6.823 716 H VAL 99 H VAL 99 -5.497 -5.841 3.222 717 HA VAL 99 HA VAL 99 -6.612 -6.111 0.510 718 HB VAL 99 HB VAL 99 -3.771 -6.519 1.456 719 HG11 VAL 99 1HG1 VAL 99 -4.928 -7.794 -0.633 720 HG12 VAL 99 2HG1 VAL 99 -4.351 -6.324 -1.420 721 HG13 VAL 99 3HG1 VAL 99 -3.220 -7.365 -0.554 722 HG21 VAL 99 1HG2 VAL 99 -4.809 -4.147 1.243 723 HG22 VAL 99 2HG2 VAL 99 -3.228 -4.468 0.530 724 HG23 VAL 99 3HG2 VAL 99 -4.665 -4.432 -0.491 725 H LYS 100 H LYS 100 -7.873 -7.887 0.526 726 HA LYS 100 HA LYS 100 -7.112 -10.266 1.981 727 HB2 LYS 100 1HB LYS 100 -9.472 -9.567 1.840 728 HB3 LYS 100 2HB LYS 100 -9.427 -9.782 0.094 729 HG2 LYS 100 1HG LYS 100 -9.046 -12.158 0.366 730 HG3 LYS 100 2HG LYS 100 -8.994 -11.969 2.120 731 HD2 LYS 100 1HD LYS 100 -11.171 -12.618 1.870 732 HD3 LYS 100 2HD LYS 100 -11.366 -10.870 1.710 733 HE2 LYS 100 1HE LYS 100 -10.804 -12.451 -0.744 734 HE3 LYS 100 2HE LYS 100 -12.414 -12.567 -0.035 735 HZ1 LYS 100 1HZ LYS 100 -11.331 -9.884 -0.350 736 HZ2 LYS 100 2HZ LYS 100 -12.908 -10.450 -0.586 737 HZ3 LYS 100 3HZ LYS 100 -11.735 -10.696 -1.779 738 H VAL 101 H VAL 101 -5.344 -11.212 1.085 739 HA VAL 101 HA VAL 101 -4.923 -11.456 -1.718 740 HB VAL 101 HB VAL 101 -3.643 -13.032 0.521 741 HG11 VAL 101 1HG1 VAL 101 -1.781 -13.259 -1.151 742 HG12 VAL 101 2HG1 VAL 101 -3.254 -14.147 -1.546 743 HG13 VAL 101 3HG1 VAL 101 -2.891 -12.630 -2.368 744 HG21 VAL 101 1HG2 VAL 101 -2.478 -10.632 -0.858 745 HG22 VAL 101 2HG2 VAL 101 -3.478 -10.480 0.587 746 HG23 VAL 101 3HG2 VAL 101 -1.970 -11.392 0.649 747 H LEU 102 H LEU 102 -5.142 -13.233 -3.062 748 HA LEU 102 HA LEU 102 -6.945 -15.333 -2.061 749 HB2 LEU 102 1HB LEU 102 -6.572 -14.180 -4.816 750 HB3 LEU 102 2HB LEU 102 -7.498 -15.647 -4.501 751 HG LEU 102 HG LEU 102 -8.159 -12.968 -3.288 752 HD11 LEU 102 1HD1 LEU 102 -8.307 -13.495 -5.950 753 HD12 LEU 102 2HD1 LEU 102 -9.360 -12.376 -5.084 754 HD13 LEU 102 3HD1 LEU 102 -9.896 -14.027 -5.397 755 HD21 LEU 102 1HD2 LEU 102 -10.112 -13.942 -2.523 756 HD22 LEU 102 2HD2 LEU 102 -8.934 -15.234 -2.289 757 HD23 LEU 102 3HD2 LEU 102 -10.024 -15.274 -3.676 758 HA PRO 103 HA PRO 103 -3.939 -18.443 -2.812 759 HB2 PRO 103 1HB PRO 103 -5.510 -20.523 -3.570 760 HB3 PRO 103 2HB PRO 103 -5.430 -19.937 -1.904 761 HG2 PRO 103 1HG PRO 103 -7.477 -19.374 -4.014 762 HG3 PRO 103 2HG PRO 103 -7.714 -19.738 -2.295 763 HD2 PRO 103 1HD PRO 103 -7.821 -17.218 -3.278 764 HD3 PRO 103 2HD PRO 103 -7.234 -17.580 -1.643 765 H THR 104 H THR 104 -2.567 -18.577 -4.462 766 HA THR 104 HA THR 104 -2.770 -17.757 -6.989 767 HB THR 104 HB THR 104 -1.350 -20.286 -6.134 768 HG1 THR 104 1HG THR 104 -0.719 -18.283 -5.100 769 HG21 THR 104 1HG2 THR 104 -0.017 -20.095 -8.121 770 HG22 THR 104 2HG2 THR 104 -0.819 -18.591 -8.574 771 HG23 THR 104 3HG2 THR 104 -1.713 -20.110 -8.603 772 H TYR 105 H TYR 105 -4.124 -20.746 -5.766 773 HA TYR 105 HA TYR 105 -5.182 -21.347 -8.446 774 HB2 TYR 105 1HB TYR 105 -4.960 -23.191 -6.059 775 HB3 TYR 105 2HB TYR 105 -5.486 -23.640 -7.677 776 HD1 TYR 105 2HD TYR 105 -3.872 -23.807 -9.509 777 HD2 TYR 105 1HD TYR 105 -2.623 -22.864 -5.552 778 HE1 TYR 105 2HE TYR 105 -1.548 -24.323 -10.126 779 HE2 TYR 105 1HE TYR 105 -0.295 -23.377 -6.159 780 HH TYR 105 HH TYR 105 0.559 -24.423 -9.447 781 H ASP 106 H ASP 106 -7.374 -22.443 -8.393 782 HA ASP 106 HA ASP 106 -9.102 -21.122 -6.404 783 HB2 ASP 106 1HB ASP 106 -9.566 -20.004 -8.420 784 HB3 ASP 106 2HB ASP 106 -9.466 -21.485 -9.367 785 H ALA 107 H ALA 107 -10.993 -22.239 -5.755 786 HA ALA 107 HA ALA 107 -10.643 -25.100 -5.665 787 HB1 ALA 107 1HB ALA 107 -11.422 -24.519 -3.633 788 HB2 ALA 107 2HB ALA 107 -12.277 -23.104 -4.245 789 HB3 ALA 107 3HB ALA 107 -12.994 -24.705 -4.410 790 H SER 108 H SER 108 -10.939 -25.490 -7.962 791 HA SER 108 HA SER 108 -13.137 -24.886 -9.496 792 HB2 SER 108 1HB SER 108 -12.648 -27.031 -10.723 793 HB3 SER 108 2HB SER 108 -11.247 -25.986 -10.492 794 HG SER 108 HG SER 108 -11.774 -28.489 -9.471 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.020 37.535 -9.248 2 HA2 GLY 1 1HA GLY 1 0.784 34.975 -10.057 3 HA3 GLY 1 2HA GLY 1 2.427 35.078 -9.443 4 H SER 2 H SER 2 1.381 33.385 -7.999 5 HA SER 2 HA SER 2 -0.365 34.382 -5.931 6 HB2 SER 2 1HB SER 2 -0.157 31.948 -6.920 7 HB3 SER 2 2HB SER 2 1.098 31.780 -5.692 8 HG SER 2 HG SER 2 -1.353 31.371 -5.255 9 H SER 3 H SER 3 0.581 35.888 -4.663 10 HA SER 3 HA SER 3 3.276 35.440 -3.642 11 HB2 SER 3 1HB SER 3 1.418 37.797 -3.232 12 HB3 SER 3 2HB SER 3 3.119 37.723 -2.775 13 HG SER 3 HG SER 3 3.702 37.777 -4.873 14 H GLY 4 H GLY 4 3.037 33.781 -2.164 15 HA2 GLY 4 1HA GLY 4 2.193 34.539 0.449 16 HA3 GLY 4 2HA GLY 4 1.037 33.436 -0.285 17 H SER 5 H SER 5 3.009 33.221 2.009 18 HA SER 5 HA SER 5 5.038 31.400 1.295 19 HB2 SER 5 1HB SER 5 4.847 32.741 3.454 20 HB3 SER 5 2HB SER 5 3.694 31.522 3.997 21 HG SER 5 HG SER 5 5.587 30.056 3.255 22 H SER 6 H SER 6 4.577 29.561 0.257 23 HA SER 6 HA SER 6 2.356 27.909 1.262 24 HB2 SER 6 1HB SER 6 3.672 27.985 -1.462 25 HB3 SER 6 2HB SER 6 2.468 26.788 -0.981 26 HG SER 6 HG SER 6 1.024 28.546 -0.607 27 H GLY 7 H GLY 7 2.665 25.659 1.516 28 HA2 GLY 7 1HA GLY 7 4.588 23.937 1.038 29 HA3 GLY 7 2HA GLY 7 5.435 24.971 2.178 30 H VAL 8 H VAL 8 2.124 23.657 2.054 31 HA VAL 8 HA VAL 8 2.471 22.772 4.835 32 HB VAL 8 HB VAL 8 0.588 24.290 4.456 33 HG11 VAL 8 1HG1 VAL 8 -0.173 24.062 2.309 34 HG12 VAL 8 2HG1 VAL 8 -0.076 22.300 2.345 35 HG13 VAL 8 3HG1 VAL 8 -1.394 23.127 3.173 36 HG21 VAL 8 1HG2 VAL 8 -0.883 23.166 5.809 37 HG22 VAL 8 2HG2 VAL 8 -0.712 21.650 4.924 38 HG23 VAL 8 3HG2 VAL 8 0.563 22.178 6.023 39 H VAL 9 H VAL 9 1.965 20.682 5.467 40 HA VAL 9 HA VAL 9 1.847 18.725 3.273 41 HB VAL 9 HB VAL 9 2.853 18.426 6.105 42 HG11 VAL 9 1HG1 VAL 9 1.917 16.343 5.688 43 HG12 VAL 9 2HG1 VAL 9 2.312 16.396 3.969 44 HG13 VAL 9 3HG1 VAL 9 3.587 16.134 5.161 45 HG21 VAL 9 1HG2 VAL 9 5.012 18.083 5.085 46 HG22 VAL 9 2HG2 VAL 9 4.307 18.190 3.471 47 HG23 VAL 9 3HG2 VAL 9 4.339 19.611 4.516 48 H ASP 10 H ASP 10 0.060 17.567 3.008 49 HA ASP 10 HA ASP 10 -1.774 17.261 5.292 50 HB2 ASP 10 1HB ASP 10 -2.344 18.096 2.473 51 HB3 ASP 10 2HB ASP 10 -3.565 17.194 3.368 52 HA PRO 11 HA PRO 11 -0.761 13.018 4.047 53 HB2 PRO 11 1HB PRO 11 -1.451 11.933 6.438 54 HB3 PRO 11 2HB PRO 11 0.116 12.697 6.147 55 HG2 PRO 11 1HG PRO 11 -2.319 13.817 7.478 56 HG3 PRO 11 2HG PRO 11 -0.618 13.956 7.959 57 HD2 PRO 11 1HD PRO 11 -1.934 15.940 6.670 58 HD3 PRO 11 2HD PRO 11 -0.198 15.645 6.447 59 H SER 12 H SER 12 -3.618 14.631 4.632 60 HA SER 12 HA SER 12 -5.275 12.223 4.382 61 HB2 SER 12 1HB SER 12 -7.120 13.530 5.135 62 HB3 SER 12 2HB SER 12 -5.760 13.969 6.167 63 HG SER 12 HG SER 12 -6.663 15.420 3.898 64 H LYS 13 H LYS 13 -3.657 13.843 2.286 65 HA LYS 13 HA LYS 13 -5.864 14.131 0.353 66 HB2 LYS 13 1HB LYS 13 -3.180 15.513 0.230 67 HB3 LYS 13 2HB LYS 13 -4.568 15.795 -0.814 68 HG2 LYS 13 1HG LYS 13 -4.948 16.191 2.097 69 HG3 LYS 13 2HG LYS 13 -3.976 17.378 1.227 70 HD2 LYS 13 1HD LYS 13 -6.245 18.140 1.232 71 HD3 LYS 13 2HD LYS 13 -5.854 17.607 -0.405 72 HE2 LYS 13 1HE LYS 13 -7.044 15.617 1.449 73 HE3 LYS 13 2HE LYS 13 -8.097 16.889 0.830 74 HZ1 LYS 13 1HZ LYS 13 -8.101 16.000 -1.206 75 HZ2 LYS 13 2HZ LYS 13 -7.572 14.585 -0.445 76 HZ3 LYS 13 3HZ LYS 13 -6.452 15.621 -1.175 77 H VAL 14 H VAL 14 -3.188 12.316 1.213 78 HA VAL 14 HA VAL 14 -2.305 11.608 -1.434 79 HB VAL 14 HB VAL 14 -0.631 11.458 0.223 80 HG11 VAL 14 1HG1 VAL 14 -1.657 11.382 2.281 81 HG12 VAL 14 2HG1 VAL 14 -2.735 10.065 1.816 82 HG13 VAL 14 3HG1 VAL 14 -1.035 9.736 2.152 83 HG21 VAL 14 1HG2 VAL 14 -1.372 8.571 0.014 84 HG22 VAL 14 2HG2 VAL 14 -0.977 9.484 -1.442 85 HG23 VAL 14 3HG2 VAL 14 0.209 9.337 -0.145 86 H LYS 15 H LYS 15 -2.930 9.925 -2.663 87 HA LYS 15 HA LYS 15 -4.825 7.993 -1.501 88 HB2 LYS 15 1HB LYS 15 -5.055 9.624 -3.995 89 HB3 LYS 15 2HB LYS 15 -5.751 8.009 -3.974 90 HG2 LYS 15 1HG LYS 15 -6.402 9.836 -1.727 91 HG3 LYS 15 2HG LYS 15 -7.148 10.142 -3.297 92 HD2 LYS 15 1HD LYS 15 -7.192 7.421 -2.025 93 HD3 LYS 15 2HD LYS 15 -8.413 8.641 -1.655 94 HE2 LYS 15 1HE LYS 15 -8.901 8.804 -4.085 95 HE3 LYS 15 2HE LYS 15 -7.772 7.480 -4.364 96 HZ1 LYS 15 1HZ LYS 15 -9.245 6.262 -2.644 97 HZ2 LYS 15 2HZ LYS 15 -9.778 6.396 -4.244 98 HZ3 LYS 15 3HZ LYS 15 -10.404 7.423 -3.054 99 H ILE 16 H ILE 16 -5.103 6.070 -3.092 100 HA ILE 16 HA ILE 16 -2.668 5.426 -4.548 101 HB ILE 16 HB ILE 16 -2.271 3.340 -3.390 102 HG12 ILE 16 1HG1 ILE 16 -4.525 4.183 -1.555 103 HG13 ILE 16 2HG1 ILE 16 -4.578 2.856 -2.710 104 HG21 ILE 16 1HG2 ILE 16 -2.437 5.671 -1.485 105 HG22 ILE 16 2HG2 ILE 16 -1.479 4.213 -1.233 106 HG23 ILE 16 3HG2 ILE 16 -1.097 5.298 -2.570 107 HD11 ILE 16 1HD1 ILE 16 -4.112 1.680 -0.837 108 HD12 ILE 16 2HD1 ILE 16 -2.462 2.076 -1.316 109 HD13 ILE 16 3HD1 ILE 16 -3.269 3.024 -0.067 110 H ALA 17 H ALA 17 -3.044 4.148 -6.269 111 HA ALA 17 HA ALA 17 -5.507 2.572 -6.378 112 HB1 ALA 17 1HB ALA 17 -5.017 5.008 -7.877 113 HB2 ALA 17 2HB ALA 17 -5.362 3.631 -8.926 114 HB3 ALA 17 3HB ALA 17 -6.508 4.089 -7.666 115 H GLY 18 H GLY 18 -5.193 0.621 -7.261 116 HA2 GLY 18 1HA GLY 18 -3.652 -0.025 -9.464 117 HA3 GLY 18 2HA GLY 18 -2.584 -0.179 -8.077 118 HA PRO 19 HA PRO 19 -5.205 -4.064 -8.787 119 HB2 PRO 19 1HB PRO 19 -3.205 -5.696 -9.629 120 HB3 PRO 19 2HB PRO 19 -4.184 -4.726 -10.736 121 HG2 PRO 19 1HG PRO 19 -1.451 -4.174 -9.646 122 HG3 PRO 19 2HG PRO 19 -2.060 -3.962 -11.297 123 HD2 PRO 19 1HD PRO 19 -1.812 -1.900 -9.560 124 HD3 PRO 19 2HD PRO 19 -3.084 -1.958 -10.796 125 H GLY 20 H GLY 20 -1.926 -3.598 -7.524 126 HA2 GLY 20 1HA GLY 20 -1.673 -5.811 -5.896 127 HA3 GLY 20 2HA GLY 20 -0.984 -4.237 -5.527 128 H LEU 21 H LEU 21 -3.325 -2.762 -5.157 129 HA LEU 21 HA LEU 21 -4.040 -3.641 -2.507 130 HB2 LEU 21 1HB LEU 21 -5.106 -1.281 -4.043 131 HB3 LEU 21 2HB LEU 21 -5.177 -1.539 -2.301 132 HG LEU 21 HG LEU 21 -2.503 -1.380 -3.601 133 HD11 LEU 21 1HD1 LEU 21 -4.382 0.924 -3.190 134 HD12 LEU 21 2HD1 LEU 21 -3.437 0.511 -4.621 135 HD13 LEU 21 3HD1 LEU 21 -2.631 1.129 -3.180 136 HD21 LEU 21 1HD2 LEU 21 -3.662 -0.534 -0.950 137 HD22 LEU 21 2HD2 LEU 21 -1.995 -0.242 -1.446 138 HD23 LEU 21 3HD2 LEU 21 -2.583 -1.895 -1.261 139 H GLY 22 H GLY 22 -5.359 -3.903 -5.661 140 HA2 GLY 22 1HA GLY 22 -8.094 -3.972 -5.219 141 HA3 GLY 22 2HA GLY 22 -7.262 -4.928 -6.434 142 H SER 23 H SER 23 -9.426 -6.067 -5.460 143 HA SER 23 HA SER 23 -8.752 -7.732 -3.173 144 HB2 SER 23 1HB SER 23 -11.042 -8.552 -3.332 145 HB3 SER 23 2HB SER 23 -11.036 -6.790 -3.404 146 HG SER 23 HG SER 23 -11.169 -7.006 -5.709 147 H GLY 24 H GLY 24 -8.446 -7.835 -6.540 148 HA2 GLY 24 1HA GLY 24 -8.591 -10.742 -6.717 149 HA3 GLY 24 2HA GLY 24 -8.302 -9.630 -8.046 150 H VAL 25 H VAL 25 -6.657 -10.222 -4.939 151 HA VAL 25 HA VAL 25 -4.109 -10.273 -6.388 152 HB VAL 25 HB VAL 25 -4.712 -9.954 -3.447 153 HG11 VAL 25 1HG1 VAL 25 -2.359 -9.733 -3.057 154 HG12 VAL 25 2HG1 VAL 25 -2.636 -11.266 -3.886 155 HG13 VAL 25 3HG1 VAL 25 -2.009 -9.879 -4.779 156 HG21 VAL 25 1HG2 VAL 25 -4.900 -7.804 -3.987 157 HG22 VAL 25 2HG2 VAL 25 -3.187 -7.821 -4.402 158 HG23 VAL 25 3HG2 VAL 25 -4.398 -8.117 -5.648 159 H ARG 26 H ARG 26 -2.679 -11.974 -6.250 160 HA ARG 26 HA ARG 26 -3.729 -14.435 -5.013 161 HB2 ARG 26 1HB ARG 26 -2.035 -14.171 -7.504 162 HB3 ARG 26 2HB ARG 26 -2.558 -15.687 -6.783 163 HG2 ARG 26 1HG ARG 26 -4.945 -14.675 -7.094 164 HG3 ARG 26 2HG ARG 26 -4.135 -13.665 -8.292 165 HD2 ARG 26 1HD ARG 26 -3.466 -15.542 -9.563 166 HD3 ARG 26 2HD ARG 26 -3.877 -16.659 -8.262 167 HE ARG 26 HE ARG 26 -6.079 -16.590 -8.927 168 HH11 ARG 26 1HH1 ARG 26 -4.276 -14.092 -10.550 169 HH12 ARG 26 2HH1 ARG 26 -5.555 -13.704 -11.653 170 HH21 ARG 26 1HH2 ARG 26 -7.770 -16.089 -10.373 171 HH22 ARG 26 2HH2 ARG 26 -7.542 -14.839 -11.551 172 H ALA 27 H ALA 27 -2.258 -15.834 -4.009 173 HA ALA 27 HA ALA 27 -0.097 -14.563 -2.681 174 HB1 ALA 27 1HB ALA 27 -0.987 -17.434 -2.814 175 HB2 ALA 27 2HB ALA 27 0.376 -16.892 -1.835 176 HB3 ALA 27 3HB ALA 27 -1.244 -16.272 -1.511 177 H ARG 28 H ARG 28 2.141 -15.073 -2.774 178 HA ARG 28 HA ARG 28 4.118 -15.294 -3.881 179 HB2 ARG 28 1HB ARG 28 2.661 -17.651 -5.090 180 HB3 ARG 28 2HB ARG 28 4.394 -17.376 -5.205 181 HG2 ARG 28 1HG ARG 28 4.304 -17.328 -2.615 182 HG3 ARG 28 2HG ARG 28 2.757 -18.149 -2.832 183 HD2 ARG 28 1HD ARG 28 4.200 -19.934 -2.665 184 HD3 ARG 28 2HD ARG 28 4.129 -19.706 -4.412 185 HE ARG 28 HE ARG 28 6.271 -18.294 -3.082 186 HH11 ARG 28 1HH1 ARG 28 5.278 -21.218 -4.689 187 HH12 ARG 28 2HH1 ARG 28 6.891 -21.687 -5.115 188 HH21 ARG 28 1HH2 ARG 28 8.399 -18.900 -3.635 189 HH22 ARG 28 2HH2 ARG 28 8.666 -20.368 -4.513 190 H VAL 29 H VAL 29 2.194 -13.515 -5.035 191 HA VAL 29 HA VAL 29 3.042 -13.644 -7.855 192 HB VAL 29 HB VAL 29 0.371 -12.691 -6.814 193 HG11 VAL 29 1HG1 VAL 29 0.879 -11.237 -8.576 194 HG12 VAL 29 2HG1 VAL 29 1.649 -12.511 -9.524 195 HG13 VAL 29 3HG1 VAL 29 -0.103 -12.498 -9.321 196 HG21 VAL 29 1HG2 VAL 29 -0.027 -14.589 -8.786 197 HG22 VAL 29 2HG2 VAL 29 1.327 -15.226 -7.853 198 HG23 VAL 29 3HG2 VAL 29 -0.193 -14.837 -7.048 199 H LEU 30 H LEU 30 3.486 -11.664 -8.872 200 HA LEU 30 HA LEU 30 4.577 -9.666 -7.157 201 HB2 LEU 30 1HB LEU 30 5.487 -10.316 -9.390 202 HB3 LEU 30 2HB LEU 30 4.107 -9.507 -10.130 203 HG LEU 30 HG LEU 30 4.942 -7.410 -8.887 204 HD11 LEU 30 1HD1 LEU 30 6.790 -9.235 -7.893 205 HD12 LEU 30 2HD1 LEU 30 6.846 -7.479 -7.748 206 HD13 LEU 30 3HD1 LEU 30 7.686 -8.281 -9.075 207 HD21 LEU 30 1HD2 LEU 30 5.273 -7.013 -11.060 208 HD22 LEU 30 2HD2 LEU 30 5.802 -8.667 -11.373 209 HD23 LEU 30 3HD2 LEU 30 6.949 -7.474 -10.760 210 H GLN 31 H GLN 31 3.366 -8.245 -6.098 211 HA GLN 31 HA GLN 31 1.019 -7.107 -7.467 212 HB2 GLN 31 1HB GLN 31 1.428 -7.288 -4.481 213 HB3 GLN 31 2HB GLN 31 -0.038 -6.816 -5.329 214 HG2 GLN 31 1HG GLN 31 1.219 -9.550 -5.399 215 HG3 GLN 31 2HG GLN 31 -0.176 -9.083 -4.428 216 HE21 GLN 31 1HE2 GLN 31 -0.525 -11.156 -6.033 217 HE22 GLN 31 2HE2 GLN 31 -1.480 -10.742 -7.411 218 H SER 32 H SER 32 1.058 -4.999 -7.881 219 HA SER 32 HA SER 32 2.654 -3.214 -6.207 220 HB2 SER 32 1HB SER 32 4.081 -3.950 -8.140 221 HB3 SER 32 2HB SER 32 2.905 -3.203 -9.222 222 HG SER 32 HG SER 32 3.402 -1.218 -8.381 223 H PHE 33 H PHE 33 2.197 -0.908 -6.672 224 HA PHE 33 HA PHE 33 -0.211 -0.306 -8.150 225 HB2 PHE 33 1HB PHE 33 -1.297 0.750 -6.121 226 HB3 PHE 33 2HB PHE 33 -1.279 -1.010 -6.138 227 HD1 PHE 33 1HD PHE 33 0.821 -2.086 -4.947 228 HD2 PHE 33 2HD PHE 33 -0.677 1.826 -4.193 229 HE1 PHE 33 1HE PHE 33 1.911 -2.097 -2.741 230 HE2 PHE 33 2HE PHE 33 0.410 1.822 -1.986 231 HZ PHE 33 HZ PHE 33 1.707 -0.141 -1.258 232 H THR 34 H THR 34 -0.824 2.145 -7.433 233 HA THR 34 HA THR 34 1.715 3.645 -7.503 234 HB THR 34 HB THR 34 -0.859 4.337 -8.933 235 HG1 THR 34 1HG THR 34 0.010 3.046 -10.373 236 HG21 THR 34 1HG2 THR 34 0.545 6.262 -8.049 237 HG22 THR 34 2HG2 THR 34 0.231 6.256 -9.784 238 HG23 THR 34 3HG2 THR 34 1.798 5.731 -9.170 239 H VAL 35 H VAL 35 1.974 5.184 -6.011 240 HA VAL 35 HA VAL 35 -0.353 5.901 -4.356 241 HB VAL 35 HB VAL 35 2.578 6.086 -3.645 242 HG11 VAL 35 1HG1 VAL 35 1.307 6.191 -1.297 243 HG12 VAL 35 2HG1 VAL 35 1.704 7.633 -2.235 244 HG13 VAL 35 3HG1 VAL 35 0.080 6.948 -2.312 245 HG21 VAL 35 1HG2 VAL 35 2.322 4.137 -2.347 246 HG22 VAL 35 2HG2 VAL 35 0.566 4.158 -2.513 247 HG23 VAL 35 3HG2 VAL 35 1.579 3.762 -3.901 248 H ASP 36 H ASP 36 -1.197 7.747 -5.108 249 HA ASP 36 HA ASP 36 0.503 9.840 -6.178 250 HB2 ASP 36 1HB ASP 36 -1.723 9.208 -7.187 251 HB3 ASP 36 2HB ASP 36 -2.489 9.915 -5.768 252 H SER 37 H SER 37 1.630 10.813 -4.567 253 HA SER 37 HA SER 37 0.081 11.918 -2.316 254 HB2 SER 37 1HB SER 37 2.132 11.901 -1.013 255 HB3 SER 37 2HB SER 37 1.859 10.293 -1.685 256 HG SER 37 HG SER 37 3.944 11.962 -2.052 257 H SER 38 H SER 38 0.339 13.112 -4.957 258 HA SER 38 HA SER 38 2.243 15.238 -4.831 259 HB2 SER 38 1HB SER 38 1.328 14.322 -6.965 260 HB3 SER 38 2HB SER 38 -0.233 15.038 -6.561 261 HG SER 38 HG SER 38 1.983 16.716 -6.483 262 H LYS 39 H LYS 39 -1.210 14.940 -4.148 263 HA LYS 39 HA LYS 39 -1.580 17.715 -3.571 264 HB2 LYS 39 1HB LYS 39 -3.304 15.372 -2.748 265 HB3 LYS 39 2HB LYS 39 -3.785 17.063 -2.784 266 HG2 LYS 39 1HG LYS 39 -2.796 15.861 -5.307 267 HG3 LYS 39 2HG LYS 39 -4.393 15.379 -4.730 268 HD2 LYS 39 1HD LYS 39 -5.007 17.202 -5.943 269 HD3 LYS 39 2HD LYS 39 -4.633 18.014 -4.422 270 HE2 LYS 39 1HE LYS 39 -2.291 18.333 -5.322 271 HE3 LYS 39 2HE LYS 39 -2.911 17.793 -6.881 272 HZ1 LYS 39 1HZ LYS 39 -3.507 19.882 -7.240 273 HZ2 LYS 39 2HZ LYS 39 -3.127 20.344 -5.659 274 HZ3 LYS 39 3HZ LYS 39 -4.664 19.732 -6.014 275 H ALA 40 H ALA 40 -0.506 14.960 -1.779 276 HA ALA 40 HA ALA 40 -1.070 15.928 0.831 277 HB1 ALA 40 1HB ALA 40 -0.578 13.543 0.206 278 HB2 ALA 40 2HB ALA 40 1.121 14.004 0.085 279 HB3 ALA 40 3HB ALA 40 0.277 14.144 1.627 280 H GLY 41 H GLY 41 1.599 16.360 -1.402 281 HA2 GLY 41 1HA GLY 41 2.725 18.582 -1.051 282 HA3 GLY 41 2HA GLY 41 2.937 18.057 0.612 283 H LEU 42 H LEU 42 5.171 18.164 0.569 284 HA LEU 42 HA LEU 42 6.534 16.356 -1.306 285 HB2 LEU 42 1HB LEU 42 8.097 18.201 0.394 286 HB3 LEU 42 2HB LEU 42 8.344 17.721 -1.284 287 HG LEU 42 HG LEU 42 7.876 20.028 -1.327 288 HD11 LEU 42 1HD1 LEU 42 6.712 19.296 -3.131 289 HD12 LEU 42 2HD1 LEU 42 5.367 19.961 -2.206 290 HD13 LEU 42 3HD1 LEU 42 5.685 18.227 -2.178 291 HD21 LEU 42 1HD2 LEU 42 6.499 19.556 1.036 292 HD22 LEU 42 2HD2 LEU 42 5.258 20.090 -0.097 293 HD23 LEU 42 3HD2 LEU 42 6.671 21.102 0.204 294 H ALA 43 H ALA 43 5.140 15.812 1.367 295 HA ALA 43 HA ALA 43 7.225 15.004 3.157 296 HB1 ALA 43 1HB ALA 43 4.263 14.765 3.090 297 HB2 ALA 43 2HB ALA 43 5.166 13.678 4.144 298 HB3 ALA 43 3HB ALA 43 5.318 15.425 4.339 299 HA PRO 44 HA PRO 44 8.217 11.035 1.557 300 HB2 PRO 44 1HB PRO 44 8.833 9.714 3.847 301 HB3 PRO 44 2HB PRO 44 9.877 10.955 3.143 302 HG2 PRO 44 1HG PRO 44 7.918 11.182 5.395 303 HG3 PRO 44 2HG PRO 44 9.555 11.852 5.263 304 HD2 PRO 44 1HD PRO 44 7.333 13.337 4.830 305 HD3 PRO 44 2HD PRO 44 8.859 13.629 3.971 306 H LEU 45 H LEU 45 7.652 8.715 1.714 307 HA LEU 45 HA LEU 45 4.945 8.313 2.807 308 HB2 LEU 45 1HB LEU 45 4.733 8.457 0.444 309 HB3 LEU 45 2HB LEU 45 6.113 7.391 0.193 310 HG LEU 45 HG LEU 45 4.533 5.687 1.492 311 HD11 LEU 45 1HD1 LEU 45 2.258 5.991 1.163 312 HD12 LEU 45 2HD1 LEU 45 2.497 7.237 -0.062 313 HD13 LEU 45 3HD1 LEU 45 2.807 7.598 1.636 314 HD21 LEU 45 1HD2 LEU 45 5.135 4.825 -0.493 315 HD22 LEU 45 2HD2 LEU 45 4.956 6.364 -1.335 316 HD23 LEU 45 3HD2 LEU 45 3.537 5.367 -1.009 317 H GLU 46 H GLU 46 4.488 6.338 3.745 318 HA GLU 46 HA GLU 46 6.721 4.437 3.974 319 HB2 GLU 46 1HB GLU 46 6.254 6.018 6.008 320 HB3 GLU 46 2HB GLU 46 4.899 4.937 6.298 321 HG2 GLU 46 1HG GLU 46 6.638 4.124 7.631 322 HG3 GLU 46 2HG GLU 46 6.576 3.043 6.240 323 H VAL 47 H VAL 47 6.180 2.277 4.073 324 HA VAL 47 HA VAL 47 3.329 1.583 3.968 325 HB VAL 47 HB VAL 47 5.383 0.493 2.039 326 HG11 VAL 47 1HG1 VAL 47 3.768 -1.181 2.469 327 HG12 VAL 47 2HG1 VAL 47 2.441 -0.019 2.409 328 HG13 VAL 47 3HG1 VAL 47 3.314 -0.440 0.935 329 HG21 VAL 47 1HG2 VAL 47 4.817 2.053 0.539 330 HG22 VAL 47 2HG2 VAL 47 3.102 1.945 0.939 331 HG23 VAL 47 3HG2 VAL 47 4.174 2.954 1.912 332 H ARG 48 H ARG 48 2.852 -0.602 4.530 333 HA ARG 48 HA ARG 48 4.970 -2.312 5.493 334 HB2 ARG 48 1HB ARG 48 3.085 -0.897 7.358 335 HB3 ARG 48 2HB ARG 48 3.768 -2.462 7.781 336 HG2 ARG 48 1HG ARG 48 6.026 -1.231 7.142 337 HG3 ARG 48 2HG ARG 48 5.073 0.190 7.577 338 HD2 ARG 48 1HD ARG 48 4.579 -0.793 9.752 339 HD3 ARG 48 2HD ARG 48 5.487 -2.240 9.315 340 HE ARG 48 HE ARG 48 7.005 0.205 9.163 341 HH11 ARG 48 1HH1 ARG 48 5.982 -2.435 11.189 342 HH12 ARG 48 2HH1 ARG 48 7.304 -2.269 12.296 343 HH21 ARG 48 1HH2 ARG 48 8.750 0.434 10.613 344 HH22 ARG 48 2HH2 ARG 48 8.877 -0.635 11.969 345 H VAL 49 H VAL 49 4.334 -4.446 5.735 346 HA VAL 49 HA VAL 49 1.520 -5.039 5.090 347 HB VAL 49 HB VAL 49 3.971 -6.458 4.041 348 HG11 VAL 49 1HG1 VAL 49 2.236 -7.787 2.748 349 HG12 VAL 49 2HG1 VAL 49 2.394 -8.158 4.466 350 HG13 VAL 49 3HG1 VAL 49 1.052 -7.165 3.897 351 HG21 VAL 49 1HG2 VAL 49 2.673 -4.221 3.071 352 HG22 VAL 49 2HG2 VAL 49 3.731 -5.291 2.152 353 HG23 VAL 49 3HG2 VAL 49 1.987 -5.543 2.127 354 H LEU 50 H LEU 50 0.535 -6.313 6.512 355 HA LEU 50 HA LEU 50 2.194 -8.006 8.262 356 HB2 LEU 50 1HB LEU 50 -0.225 -6.345 8.894 357 HB3 LEU 50 2HB LEU 50 0.275 -7.686 9.923 358 HG LEU 50 HG LEU 50 2.553 -6.433 10.003 359 HD11 LEU 50 1HD1 LEU 50 0.666 -4.251 9.134 360 HD12 LEU 50 2HD1 LEU 50 2.142 -4.778 8.326 361 HD13 LEU 50 3HD1 LEU 50 2.235 -3.967 9.889 362 HD21 LEU 50 1HD2 LEU 50 1.255 -4.790 11.726 363 HD22 LEU 50 2HD2 LEU 50 1.670 -6.470 12.069 364 HD23 LEU 50 3HD2 LEU 50 0.052 -6.060 11.498 365 H GLY 51 H GLY 51 1.758 -10.113 8.202 366 HA2 GLY 51 1HA GLY 51 -0.233 -11.168 6.479 367 HA3 GLY 51 2HA GLY 51 0.755 -12.092 7.600 368 HA PRO 52 HA PRO 52 -3.749 -11.954 8.979 369 HB2 PRO 52 1HB PRO 52 -4.223 -14.618 8.769 370 HB3 PRO 52 2HB PRO 52 -4.489 -13.488 7.437 371 HG2 PRO 52 1HG PRO 52 -2.167 -15.309 7.940 372 HG3 PRO 52 2HG PRO 52 -3.016 -14.973 6.420 373 HD2 PRO 52 1HD PRO 52 -0.649 -13.819 7.052 374 HD3 PRO 52 2HD PRO 52 -1.884 -12.995 6.079 375 H ARG 53 H ARG 53 -1.422 -14.596 9.573 376 HA ARG 53 HA ARG 53 -2.313 -15.019 12.250 377 HB2 ARG 53 1HB ARG 53 0.334 -15.882 11.087 378 HB3 ARG 53 2HB ARG 53 -0.548 -16.616 12.419 379 HG2 ARG 53 1HG ARG 53 -1.201 -18.082 10.857 380 HG3 ARG 53 2HG ARG 53 -2.372 -16.830 10.438 381 HD2 ARG 53 1HD ARG 53 -1.486 -17.154 8.375 382 HD3 ARG 53 2HD ARG 53 -0.320 -15.975 8.971 383 HE ARG 53 HE ARG 53 1.279 -17.592 8.852 384 HH11 ARG 53 1HH1 ARG 53 -1.840 -19.131 9.011 385 HH12 ARG 53 2HH1 ARG 53 -1.207 -20.730 8.797 386 HH21 ARG 53 1HH2 ARG 53 2.124 -19.691 8.571 387 HH22 ARG 53 2HH2 ARG 53 1.048 -21.047 8.548 388 H GLY 54 H GLY 54 0.314 -13.204 10.760 389 HA2 GLY 54 1HA GLY 54 0.707 -11.128 12.261 390 HA3 GLY 54 2HA GLY 54 1.226 -12.344 13.419 391 H LEU 55 H LEU 55 1.792 -12.392 9.937 392 HA LEU 55 HA LEU 55 4.652 -12.600 10.449 393 HB2 LEU 55 1HB LEU 55 3.879 -14.236 8.956 394 HB3 LEU 55 2HB LEU 55 2.914 -13.072 8.050 395 HG LEU 55 HG LEU 55 5.228 -12.043 7.432 396 HD11 LEU 55 1HD1 LEU 55 7.012 -13.102 8.209 397 HD12 LEU 55 2HD1 LEU 55 6.547 -14.518 7.266 398 HD13 LEU 55 3HD1 LEU 55 6.002 -14.353 8.935 399 HD21 LEU 55 1HD2 LEU 55 4.485 -14.698 6.222 400 HD22 LEU 55 2HD2 LEU 55 5.253 -13.319 5.434 401 HD23 LEU 55 3HD2 LEU 55 3.567 -13.217 5.942 402 H VAL 56 H VAL 56 6.207 -11.281 9.427 403 HA VAL 56 HA VAL 56 5.174 -8.649 8.590 404 HB VAL 56 HB VAL 56 7.794 -9.291 9.952 405 HG11 VAL 56 1HG1 VAL 56 7.259 -6.528 9.987 406 HG12 VAL 56 2HG1 VAL 56 8.553 -7.372 9.133 407 HG13 VAL 56 3HG1 VAL 56 7.015 -7.069 8.326 408 HG21 VAL 56 1HG2 VAL 56 5.951 -7.413 11.222 409 HG22 VAL 56 2HG2 VAL 56 5.316 -9.052 11.094 410 HG23 VAL 56 3HG2 VAL 56 6.850 -8.763 11.914 411 H GLU 57 H GLU 57 5.623 -8.005 6.588 412 HA GLU 57 HA GLU 57 7.893 -9.250 5.186 413 HB2 GLU 57 1HB GLU 57 5.103 -8.741 4.159 414 HB3 GLU 57 2HB GLU 57 6.467 -9.032 3.090 415 HG2 GLU 57 1HG GLU 57 5.338 -10.914 5.144 416 HG3 GLU 57 2HG GLU 57 5.264 -11.075 3.391 417 HA PRO 58 HA PRO 58 9.189 -5.118 4.385 418 HB2 PRO 58 1HB PRO 58 10.826 -5.599 2.272 419 HB3 PRO 58 2HB PRO 58 11.255 -6.018 3.935 420 HG2 PRO 58 1HG PRO 58 10.166 -7.766 1.763 421 HG3 PRO 58 2HG PRO 58 11.461 -8.103 2.927 422 HD2 PRO 58 1HD PRO 58 8.942 -9.045 3.238 423 HD3 PRO 58 2HD PRO 58 9.981 -8.624 4.614 424 H VAL 59 H VAL 59 9.279 -3.511 2.607 425 HA VAL 59 HA VAL 59 7.470 -4.092 0.374 426 HB VAL 59 HB VAL 59 7.207 -1.633 2.109 427 HG11 VAL 59 1HG1 VAL 59 5.453 -2.600 -0.144 428 HG12 VAL 59 2HG1 VAL 59 5.295 -1.092 0.759 429 HG13 VAL 59 3HG1 VAL 59 6.681 -1.344 -0.303 430 HG21 VAL 59 1HG2 VAL 59 5.416 -2.564 3.185 431 HG22 VAL 59 2HG2 VAL 59 5.054 -3.672 1.862 432 HG23 VAL 59 3HG2 VAL 59 6.406 -4.003 2.945 433 H ASN 60 H ASN 60 7.759 -2.780 -1.458 434 HA ASN 60 HA ASN 60 10.390 -1.512 -1.578 435 HB2 ASN 60 1HB ASN 60 10.020 -3.169 -3.281 436 HB3 ASN 60 2HB ASN 60 8.484 -2.436 -3.734 437 HD21 ASN 60 1HD2 ASN 60 8.459 -0.870 -5.224 438 HD22 ASN 60 2HD2 ASN 60 9.865 -0.184 -5.958 439 H VAL 61 H VAL 61 10.706 0.609 -2.039 440 HA VAL 61 HA VAL 61 8.347 2.263 -2.628 441 HB VAL 61 HB VAL 61 8.829 2.438 -0.219 442 HG11 VAL 61 1HG1 VAL 61 10.866 2.807 0.659 443 HG12 VAL 61 2HG1 VAL 61 11.445 2.215 -0.901 444 HG13 VAL 61 3HG1 VAL 61 11.316 3.949 -0.607 445 HG21 VAL 61 1HG2 VAL 61 8.419 4.674 -0.144 446 HG22 VAL 61 2HG2 VAL 61 9.713 5.064 -1.276 447 HG23 VAL 61 3HG2 VAL 61 8.184 4.419 -1.873 448 H VAL 62 H VAL 62 8.701 3.215 -4.516 449 HA VAL 62 HA VAL 62 11.333 4.415 -5.021 450 HB VAL 62 HB VAL 62 9.768 2.755 -7.000 451 HG11 VAL 62 1HG1 VAL 62 11.631 4.922 -7.406 452 HG12 VAL 62 2HG1 VAL 62 12.238 3.417 -8.098 453 HG13 VAL 62 3HG1 VAL 62 10.660 4.039 -8.583 454 HG21 VAL 62 1HG2 VAL 62 11.976 1.497 -7.069 455 HG22 VAL 62 2HG2 VAL 62 12.399 2.372 -5.597 456 HG23 VAL 62 3HG2 VAL 62 10.998 1.302 -5.614 457 H ASP 63 H ASP 63 11.153 6.497 -5.499 458 HA ASP 63 HA ASP 63 8.585 7.688 -5.971 459 HB2 ASP 63 1HB ASP 63 10.311 8.814 -4.614 460 HB3 ASP 63 2HB ASP 63 11.340 8.937 -6.039 461 H ASN 64 H ASN 64 7.716 8.384 -7.842 462 HA ASN 64 HA ASN 64 8.882 7.484 -10.304 463 HB2 ASN 64 1HB ASN 64 6.369 9.044 -9.687 464 HB3 ASN 64 2HB ASN 64 6.837 8.570 -11.316 465 HD21 ASN 64 1HD2 ASN 64 6.261 7.236 -8.092 466 HD22 ASN 64 2HD2 ASN 64 5.594 5.739 -8.639 467 H GLY 65 H GLY 65 8.273 10.626 -8.787 468 HA2 GLY 65 1HA GLY 65 9.984 12.348 -9.112 469 HA3 GLY 65 2HA GLY 65 10.091 11.821 -10.785 470 H ASP 66 H ASP 66 7.128 11.555 -10.940 471 HA ASP 66 HA ASP 66 6.604 14.303 -11.676 472 HB2 ASP 66 1HB ASP 66 4.824 13.498 -12.932 473 HB3 ASP 66 2HB ASP 66 5.939 12.135 -12.966 474 H GLY 67 H GLY 67 5.203 11.895 -9.465 475 HA2 GLY 67 1HA GLY 67 4.694 13.526 -7.337 476 HA3 GLY 67 2HA GLY 67 3.302 13.761 -8.384 477 H THR 68 H THR 68 5.006 10.717 -8.171 478 HA THR 68 HA THR 68 2.962 9.604 -6.405 479 HB THR 68 HB THR 68 2.458 7.746 -7.895 480 HG1 THR 68 1HG THR 68 3.666 7.369 -9.588 481 HG21 THR 68 1HG2 THR 68 1.235 10.004 -8.032 482 HG22 THR 68 2HG2 THR 68 1.006 8.861 -9.355 483 HG23 THR 68 3HG2 THR 68 2.104 10.226 -9.550 484 H HIS 69 H HIS 69 3.479 7.105 -6.178 485 HA HIS 69 HA HIS 69 6.343 6.580 -6.234 486 HB2 HIS 69 1HB HIS 69 4.789 6.337 -3.654 487 HB3 HIS 69 2HB HIS 69 6.515 6.077 -3.888 488 HD1 HIS 69 1HD HIS 69 7.945 8.002 -3.292 489 HD2 HIS 69 2HD HIS 69 4.070 9.182 -4.212 490 HE1 HIS 69 1HE HIS 69 7.876 10.478 -2.861 491 HE2 HIS 69 2HE HIS 69 5.498 11.155 -3.343 492 H THR 70 H THR 70 6.680 4.565 -6.889 493 HA THR 70 HA THR 70 4.464 2.719 -7.075 494 HB THR 70 HB THR 70 7.347 2.436 -7.938 495 HG1 THR 70 1HG THR 70 6.018 2.496 -10.050 496 HG21 THR 70 1HG2 THR 70 6.839 0.392 -8.923 497 HG22 THR 70 2HG2 THR 70 5.101 0.686 -8.870 498 HG23 THR 70 3HG2 THR 70 5.977 0.302 -7.388 499 H VAL 71 H VAL 71 4.198 0.831 -5.971 500 HA VAL 71 HA VAL 71 6.214 0.139 -3.942 501 HB VAL 71 HB VAL 71 3.228 0.148 -3.482 502 HG11 VAL 71 1HG1 VAL 71 3.561 -0.883 -1.493 503 HG12 VAL 71 2HG1 VAL 71 4.963 -1.541 -2.339 504 HG13 VAL 71 3HG1 VAL 71 5.152 -0.159 -1.258 505 HG21 VAL 71 1HG2 VAL 71 5.413 2.009 -2.589 506 HG22 VAL 71 2HG2 VAL 71 3.915 2.402 -3.433 507 HG23 VAL 71 3HG2 VAL 71 3.868 1.891 -1.746 508 H THR 72 H THR 72 6.990 -1.744 -4.668 509 HA THR 72 HA THR 72 5.135 -3.732 -5.767 510 HB THR 72 HB THR 72 7.225 -4.943 -6.454 511 HG1 THR 72 1HG THR 72 9.104 -3.362 -6.462 512 HG21 THR 72 1HG2 THR 72 5.906 -3.027 -7.752 513 HG22 THR 72 2HG2 THR 72 7.357 -3.778 -8.414 514 HG23 THR 72 3HG2 THR 72 7.464 -2.215 -7.605 515 H TYR 73 H TYR 73 4.981 -5.812 -4.950 516 HA TYR 73 HA TYR 73 6.580 -6.743 -2.778 517 HB2 TYR 73 1HB TYR 73 5.124 -6.569 -0.975 518 HB3 TYR 73 2HB TYR 73 4.883 -5.028 -1.790 519 HD1 TYR 73 1HD TYR 73 2.818 -4.582 -3.024 520 HD2 TYR 73 2HD TYR 73 3.382 -8.240 -0.927 521 HE1 TYR 73 1HE TYR 73 0.406 -5.036 -3.179 522 HE2 TYR 73 2HE TYR 73 0.971 -8.705 -1.078 523 HH TYR 73 HH TYR 73 -1.291 -6.326 -2.211 524 H THR 74 H THR 74 5.483 -8.788 -1.793 525 HA THR 74 HA THR 74 3.721 -10.172 -3.636 526 HB THR 74 HB THR 74 6.502 -11.228 -3.086 527 HG1 THR 74 1HG THR 74 5.282 -9.994 -5.311 528 HG21 THR 74 1HG2 THR 74 5.014 -13.082 -3.165 529 HG22 THR 74 2HG2 THR 74 5.783 -12.991 -4.749 530 HG23 THR 74 3HG2 THR 74 4.134 -12.403 -4.534 531 HA PRO 75 HA PRO 75 2.560 -11.541 0.469 532 HB2 PRO 75 1HB PRO 75 0.281 -12.782 -0.324 533 HB3 PRO 75 2HB PRO 75 0.400 -11.031 -0.123 534 HG2 PRO 75 1HG PRO 75 0.561 -12.665 -2.625 535 HG3 PRO 75 2HG PRO 75 -0.294 -11.138 -2.341 536 HD2 PRO 75 1HD PRO 75 2.104 -11.255 -3.594 537 HD3 PRO 75 2HD PRO 75 1.621 -9.877 -2.583 538 H SER 76 H SER 76 4.229 -13.056 0.778 539 HA SER 76 HA SER 76 4.850 -15.352 -0.465 540 HB2 SER 76 1HB SER 76 4.631 -14.874 2.509 541 HB3 SER 76 2HB SER 76 5.351 -16.331 1.826 542 HG SER 76 HG SER 76 6.262 -13.897 0.841 543 H GLN 77 H GLN 77 2.224 -15.061 1.917 544 HA GLN 77 HA GLN 77 1.020 -17.476 0.740 545 HB2 GLN 77 1HB GLN 77 0.248 -18.170 2.926 546 HB3 GLN 77 2HB GLN 77 1.995 -17.961 2.963 547 HG2 GLN 77 1HG GLN 77 1.363 -15.559 3.813 548 HG3 GLN 77 2HG GLN 77 -0.138 -16.361 4.274 549 HE21 GLN 77 1HE2 GLN 77 0.721 -15.628 6.415 550 HE22 GLN 77 2HE2 GLN 77 1.745 -16.726 7.271 551 H GLU 78 H GLU 78 -1.317 -17.610 0.956 552 HA GLU 78 HA GLU 78 -2.550 -15.064 0.438 553 HB2 GLU 78 1HB GLU 78 -4.553 -16.346 -0.054 554 HB3 GLU 78 2HB GLU 78 -3.162 -17.086 -0.834 555 HG2 GLU 78 1HG GLU 78 -3.999 -18.068 1.847 556 HG3 GLU 78 2HG GLU 78 -4.936 -18.536 0.428 557 H GLY 79 H GLY 79 -4.768 -14.636 1.467 558 HA2 GLY 79 1HA GLY 79 -6.022 -15.193 3.604 559 HA3 GLY 79 2HA GLY 79 -4.467 -14.957 4.386 560 HA PRO 80 HA PRO 80 -6.950 -10.948 4.182 561 HB2 PRO 80 1HB PRO 80 -7.299 -10.646 6.857 562 HB3 PRO 80 2HB PRO 80 -8.442 -11.521 5.831 563 HG2 PRO 80 1HG PRO 80 -6.278 -12.594 7.599 564 HG3 PRO 80 2HG PRO 80 -7.938 -13.178 7.382 565 HD2 PRO 80 1HD PRO 80 -5.814 -14.345 6.174 566 HD3 PRO 80 2HD PRO 80 -7.425 -14.292 5.430 567 H TYR 81 H TYR 81 -4.778 -10.283 3.487 568 HA TYR 81 HA TYR 81 -2.793 -9.679 5.473 569 HB2 TYR 81 1HB TYR 81 -3.038 -9.402 2.526 570 HB3 TYR 81 2HB TYR 81 -1.924 -8.308 3.336 571 HD1 TYR 81 1HD TYR 81 -2.761 -11.908 3.896 572 HD2 TYR 81 2HD TYR 81 0.238 -9.035 2.968 573 HE1 TYR 81 1HE TYR 81 -1.058 -13.682 3.933 574 HE2 TYR 81 2HE TYR 81 1.949 -10.801 3.002 575 HH TYR 81 HH TYR 81 2.243 -13.081 2.934 576 H MET 82 H MET 82 -1.829 -7.380 5.442 577 HA MET 82 HA MET 82 -3.877 -5.308 5.243 578 HB2 MET 82 1HB MET 82 -4.016 -6.146 7.553 579 HB3 MET 82 2HB MET 82 -2.300 -5.830 7.770 580 HG2 MET 82 1HG MET 82 -2.617 -3.494 7.647 581 HG3 MET 82 2HG MET 82 -4.267 -3.678 7.058 582 HE1 MET 82 1HE MET 82 -2.903 -2.684 10.951 583 HE2 MET 82 2HE MET 82 -2.250 -4.319 10.845 584 HE3 MET 82 3HE MET 82 -1.916 -3.151 9.565 585 H VAL 83 H VAL 83 -3.029 -3.687 4.131 586 HA VAL 83 HA VAL 83 -0.117 -3.291 4.189 587 HB VAL 83 HB VAL 83 -2.153 -2.311 2.183 588 HG11 VAL 83 1HG1 VAL 83 -0.608 -0.757 1.734 589 HG12 VAL 83 2HG1 VAL 83 0.627 -1.579 2.692 590 HG13 VAL 83 3HG1 VAL 83 0.321 -2.079 1.028 591 HG21 VAL 83 1HG2 VAL 83 -1.101 -4.838 2.454 592 HG22 VAL 83 2HG2 VAL 83 -1.778 -4.155 0.975 593 HG23 VAL 83 3HG2 VAL 83 -0.039 -4.092 1.261 594 H SER 84 H SER 84 0.279 -1.951 5.877 595 HA SER 84 HA SER 84 -1.401 0.350 6.386 596 HB2 SER 84 1HB SER 84 -0.526 -0.789 8.316 597 HB3 SER 84 2HB SER 84 1.124 -0.665 7.707 598 HG SER 84 HG SER 84 -0.139 1.752 7.905 599 H VAL 85 H VAL 85 -0.940 2.450 5.956 600 HA VAL 85 HA VAL 85 1.644 3.072 4.698 601 HB VAL 85 HB VAL 85 -1.048 3.970 3.660 602 HG11 VAL 85 1HG1 VAL 85 1.014 4.551 1.837 603 HG12 VAL 85 2HG1 VAL 85 0.024 5.690 2.751 604 HG13 VAL 85 3HG1 VAL 85 1.560 5.126 3.412 605 HG21 VAL 85 1HG2 VAL 85 0.160 2.749 1.583 606 HG22 VAL 85 2HG2 VAL 85 0.798 1.794 2.921 607 HG23 VAL 85 3HG2 VAL 85 -0.945 1.934 2.690 608 H LYS 86 H LYS 86 2.479 5.068 5.153 609 HA LYS 86 HA LYS 86 0.858 6.862 6.829 610 HB2 LYS 86 1HB LYS 86 2.736 5.349 7.955 611 HB3 LYS 86 2HB LYS 86 3.780 6.637 7.370 612 HG2 LYS 86 1HG LYS 86 2.561 8.274 8.634 613 HG3 LYS 86 2HG LYS 86 1.368 7.066 9.119 614 HD2 LYS 86 1HD LYS 86 3.246 5.805 10.218 615 HD3 LYS 86 2HD LYS 86 4.275 7.204 9.902 616 HE2 LYS 86 1HE LYS 86 2.338 8.509 11.089 617 HE3 LYS 86 2HE LYS 86 1.962 6.925 11.767 618 HZ1 LYS 86 1HZ LYS 86 3.413 7.713 13.317 619 HZ2 LYS 86 2HZ LYS 86 4.304 8.629 12.209 620 HZ3 LYS 86 3HZ LYS 86 4.514 6.951 12.282 621 H TYR 87 H TYR 87 1.913 9.072 7.015 622 HA TYR 87 HA TYR 87 3.614 9.834 4.799 623 HB2 TYR 87 1HB TYR 87 1.111 9.796 4.058 624 HB3 TYR 87 2HB TYR 87 0.992 11.277 5.000 625 HD1 TYR 87 1HD TYR 87 3.001 9.722 2.269 626 HD2 TYR 87 2HD TYR 87 1.511 13.311 4.003 627 HE1 TYR 87 1HE TYR 87 3.866 11.000 0.354 628 HE2 TYR 87 2HE TYR 87 2.372 14.598 2.093 629 HH TYR 87 HH TYR 87 4.421 13.147 -0.327 630 H ALA 88 H ALA 88 5.100 10.945 5.889 631 HA ALA 88 HA ALA 88 6.084 12.544 7.177 632 HB1 ALA 88 1HB ALA 88 4.193 13.871 5.873 633 HB2 ALA 88 2HB ALA 88 3.563 14.073 7.509 634 HB3 ALA 88 3HB ALA 88 5.187 14.635 7.113 635 H ASP 89 H ASP 89 5.169 10.280 8.495 636 HA ASP 89 HA ASP 89 4.845 9.468 10.595 637 HB2 ASP 89 1HB ASP 89 5.560 12.324 11.167 638 HB3 ASP 89 2HB ASP 89 5.042 11.269 12.479 639 H GLU 90 H GLU 90 2.586 10.236 9.019 640 HA GLU 90 HA GLU 90 0.625 10.480 11.163 641 HB2 GLU 90 1HB GLU 90 0.656 12.277 8.734 642 HB3 GLU 90 2HB GLU 90 -0.689 12.142 9.858 643 HG2 GLU 90 1HG GLU 90 1.042 12.788 11.654 644 HG3 GLU 90 2HG GLU 90 2.017 13.336 10.292 645 H GLU 91 H GLU 91 -0.337 8.555 10.924 646 HA GLU 91 HA GLU 91 -0.578 7.035 8.635 647 HB2 GLU 91 1HB GLU 91 -1.995 7.137 11.235 648 HB3 GLU 91 2HB GLU 91 -2.806 6.271 9.939 649 HG2 GLU 91 1HG GLU 91 -1.227 4.626 9.854 650 HG3 GLU 91 2HG GLU 91 0.057 5.676 10.455 651 H ILE 92 H ILE 92 -1.627 7.318 6.791 652 HA ILE 92 HA ILE 92 -3.293 9.500 6.250 653 HB ILE 92 HB ILE 92 -3.806 8.425 4.130 654 HG12 ILE 92 1HG1 ILE 92 -2.317 5.989 5.103 655 HG13 ILE 92 2HG1 ILE 92 -4.070 6.120 5.196 656 HG21 ILE 92 1HG2 ILE 92 -1.677 9.508 4.261 657 HG22 ILE 92 2HG2 ILE 92 -0.951 8.099 5.030 658 HG23 ILE 92 3HG2 ILE 92 -1.473 8.013 3.348 659 HD11 ILE 92 1HD1 ILE 92 -3.953 5.089 3.204 660 HD12 ILE 92 2HD1 ILE 92 -3.702 6.733 2.612 661 HD13 ILE 92 3HD1 ILE 92 -2.320 5.669 2.875 662 HA PRO 93 HA PRO 93 -7.293 8.319 7.624 663 HB2 PRO 93 1HB PRO 93 -8.853 9.523 5.758 664 HB3 PRO 93 2HB PRO 93 -7.988 10.421 7.011 665 HG2 PRO 93 1HG PRO 93 -7.244 9.973 4.146 666 HG3 PRO 93 2HG PRO 93 -7.138 11.457 5.111 667 HD2 PRO 93 1HD PRO 93 -4.990 9.885 4.617 668 HD3 PRO 93 2HD PRO 93 -5.171 10.811 6.122 669 H ARG 94 H ARG 94 -5.864 6.933 5.038 670 HA ARG 94 HA ARG 94 -8.230 5.284 4.425 671 HB2 ARG 94 1HB ARG 94 -5.934 6.021 2.599 672 HB3 ARG 94 2HB ARG 94 -7.203 4.870 2.199 673 HG2 ARG 94 1HG ARG 94 -8.760 6.920 2.782 674 HG3 ARG 94 2HG ARG 94 -7.305 7.829 2.367 675 HD2 ARG 94 1HD ARG 94 -7.363 7.186 0.174 676 HD3 ARG 94 2HD ARG 94 -8.168 5.659 0.531 677 HE ARG 94 HE ARG 94 -10.149 6.700 0.124 678 HH11 ARG 94 1HH1 ARG 94 -7.802 9.116 1.006 679 HH12 ARG 94 2HH1 ARG 94 -8.883 10.446 0.749 680 HH21 ARG 94 1HH2 ARG 94 -11.581 8.443 -0.217 681 HH22 ARG 94 2HH2 ARG 94 -11.033 10.061 0.055 682 H SER 95 H SER 95 -5.648 5.214 6.248 683 HA SER 95 HA SER 95 -4.991 2.411 5.611 684 HB2 SER 95 1HB SER 95 -2.921 3.329 5.282 685 HB3 SER 95 2HB SER 95 -3.250 4.710 6.329 686 HG SER 95 HG SER 95 -2.521 3.630 8.000 687 HA PRO 96 HA PRO 96 -3.444 1.003 6.741 688 HB2 PRO 96 1HB PRO 96 -4.235 -1.479 7.505 689 HB3 PRO 96 2HB PRO 96 -3.092 -0.506 8.438 690 HG2 PRO 96 1HG PRO 96 -6.027 -0.907 8.867 691 HG3 PRO 96 2HG PRO 96 -4.714 -0.888 10.059 692 HD2 PRO 96 1HD PRO 96 -6.332 1.242 9.640 693 HD3 PRO 96 2HD PRO 96 -4.630 1.414 10.117 694 H PHE 97 H PHE 97 -3.868 -0.915 5.209 695 HA PHE 97 HA PHE 97 -6.516 -0.545 3.975 696 HB2 PHE 97 1HB PHE 97 -3.822 -1.082 2.727 697 HB3 PHE 97 2HB PHE 97 -5.333 -1.258 1.842 698 HD1 PHE 97 1HD PHE 97 -6.705 0.697 1.324 699 HD2 PHE 97 2HD PHE 97 -2.931 1.071 3.257 700 HE1 PHE 97 1HE PHE 97 -6.671 3.098 0.785 701 HE2 PHE 97 2HE PHE 97 -2.890 3.472 2.723 702 HZ PHE 97 HZ PHE 97 -4.762 4.489 1.485 703 H LYS 98 H LYS 98 -7.771 -2.279 3.651 704 HA LYS 98 HA LYS 98 -6.836 -4.848 4.630 705 HB2 LYS 98 1HB LYS 98 -9.180 -5.540 4.422 706 HB3 LYS 98 2HB LYS 98 -9.035 -4.044 5.333 707 HG2 LYS 98 1HG LYS 98 -9.440 -2.978 2.946 708 HG3 LYS 98 2HG LYS 98 -10.218 -4.535 2.659 709 HD2 LYS 98 1HD LYS 98 -10.849 -2.871 5.080 710 HD3 LYS 98 2HD LYS 98 -11.675 -2.623 3.540 711 HE2 LYS 98 1HE LYS 98 -11.510 -5.385 4.635 712 HE3 LYS 98 2HE LYS 98 -12.635 -4.254 5.384 713 HZ1 LYS 98 1HZ LYS 98 -14.042 -4.681 3.748 714 HZ2 LYS 98 2HZ LYS 98 -12.920 -5.679 2.973 715 HZ3 LYS 98 3HZ LYS 98 -12.953 -4.022 2.633 716 H VAL 99 H VAL 99 -5.784 -6.139 3.276 717 HA VAL 99 HA VAL 99 -6.773 -6.364 0.507 718 HB VAL 99 HB VAL 99 -3.909 -6.555 1.450 719 HG11 VAL 99 1HG1 VAL 99 -3.327 -7.526 -0.479 720 HG12 VAL 99 2HG1 VAL 99 -5.034 -7.953 -0.621 721 HG13 VAL 99 3HG1 VAL 99 -4.415 -6.509 -1.424 722 HG21 VAL 99 1HG2 VAL 99 -3.531 -4.581 0.108 723 HG22 VAL 99 2HG2 VAL 99 -5.216 -4.574 -0.413 724 HG23 VAL 99 3HG2 VAL 99 -4.813 -4.261 1.275 725 H LYS 100 H LYS 100 -7.938 -8.206 0.599 726 HA LYS 100 HA LYS 100 -6.981 -10.510 2.070 727 HB2 LYS 100 1HB LYS 100 -9.358 -10.037 2.114 728 HB3 LYS 100 2HB LYS 100 -9.436 -10.086 0.358 729 HG2 LYS 100 1HG LYS 100 -9.001 -12.435 0.337 730 HG3 LYS 100 2HG LYS 100 -8.673 -12.440 2.071 731 HD2 LYS 100 1HD LYS 100 -10.846 -13.222 1.993 732 HD3 LYS 100 2HD LYS 100 -11.091 -11.494 2.258 733 HE2 LYS 100 1HE LYS 100 -11.600 -11.137 -0.041 734 HE3 LYS 100 2HE LYS 100 -11.084 -12.766 -0.472 735 HZ1 LYS 100 1HZ LYS 100 -13.515 -11.938 0.988 736 HZ2 LYS 100 2HZ LYS 100 -12.936 -13.525 1.074 737 HZ3 LYS 100 3HZ LYS 100 -13.395 -12.872 -0.417 738 H VAL 101 H VAL 101 -5.236 -11.415 1.106 739 HA VAL 101 HA VAL 101 -4.936 -11.667 -1.715 740 HB VAL 101 HB VAL 101 -3.476 -13.112 0.502 741 HG11 VAL 101 1HG1 VAL 101 -1.702 -13.332 -1.294 742 HG12 VAL 101 2HG1 VAL 101 -3.131 -14.350 -1.478 743 HG13 VAL 101 3HG1 VAL 101 -2.955 -12.889 -2.452 744 HG21 VAL 101 1HG2 VAL 101 -3.293 -10.407 -0.590 745 HG22 VAL 101 2HG2 VAL 101 -2.677 -11.062 0.927 746 HG23 VAL 101 3HG2 VAL 101 -1.755 -11.269 -0.562 747 H LEU 102 H LEU 102 -5.044 -13.524 -3.003 748 HA LEU 102 HA LEU 102 -6.723 -15.677 -1.898 749 HB2 LEU 102 1HB LEU 102 -6.586 -14.466 -4.642 750 HB3 LEU 102 2HB LEU 102 -7.318 -16.044 -4.356 751 HG LEU 102 HG LEU 102 -8.243 -13.521 -2.994 752 HD11 LEU 102 1HD1 LEU 102 -10.123 -13.604 -4.630 753 HD12 LEU 102 2HD1 LEU 102 -9.204 -14.796 -5.548 754 HD13 LEU 102 3HD1 LEU 102 -8.566 -13.166 -5.333 755 HD21 LEU 102 1HD2 LEU 102 -9.812 -14.780 -2.002 756 HD22 LEU 102 2HD2 LEU 102 -8.723 -16.122 -2.354 757 HD23 LEU 102 3HD2 LEU 102 -10.069 -15.770 -3.439 758 HA PRO 103 HA PRO 103 -3.617 -18.647 -2.789 759 HB2 PRO 103 1HB PRO 103 -5.116 -20.798 -3.494 760 HB3 PRO 103 2HB PRO 103 -4.999 -20.212 -1.831 761 HG2 PRO 103 1HG PRO 103 -7.152 -19.743 -3.857 762 HG3 PRO 103 2HG PRO 103 -7.304 -20.122 -2.132 763 HD2 PRO 103 1HD PRO 103 -7.568 -17.607 -3.101 764 HD3 PRO 103 2HD PRO 103 -6.902 -17.945 -1.491 765 H THR 104 H THR 104 -2.312 -18.624 -4.499 766 HA THR 104 HA THR 104 -2.681 -17.843 -7.015 767 HB THR 104 HB THR 104 -1.039 -20.263 -6.243 768 HG1 THR 104 1HG THR 104 -0.112 -18.634 -5.182 769 HG21 THR 104 1HG2 THR 104 0.157 -20.018 -8.269 770 HG22 THR 104 2HG2 THR 104 -0.614 -18.473 -8.626 771 HG23 THR 104 3HG2 THR 104 -1.547 -19.966 -8.718 772 H TYR 105 H TYR 105 -3.681 -20.967 -5.759 773 HA TYR 105 HA TYR 105 -4.815 -21.648 -8.385 774 HB2 TYR 105 1HB TYR 105 -3.879 -23.287 -6.064 775 HB3 TYR 105 2HB TYR 105 -5.115 -23.943 -7.130 776 HD1 TYR 105 1HD TYR 105 -1.649 -22.640 -7.033 777 HD2 TYR 105 2HD TYR 105 -4.550 -24.824 -9.251 778 HE1 TYR 105 1HE TYR 105 0.100 -23.349 -8.611 779 HE2 TYR 105 2HE TYR 105 -2.810 -25.542 -10.833 780 HH TYR 105 HH TYR 105 0.000 -24.138 -11.235 781 H ASP 106 H ASP 106 -6.955 -22.566 -8.462 782 HA ASP 106 HA ASP 106 -8.682 -21.564 -6.296 783 HB2 ASP 106 1HB ASP 106 -9.221 -21.824 -9.258 784 HB3 ASP 106 2HB ASP 106 -10.468 -21.458 -8.069 785 H ALA 107 H ALA 107 -8.887 -23.369 -5.044 786 HA ALA 107 HA ALA 107 -9.239 -25.991 -6.062 787 HB1 ALA 107 1HB ALA 107 -8.635 -26.352 -3.951 788 HB2 ALA 107 2HB ALA 107 -9.095 -24.720 -3.465 789 HB3 ALA 107 3HB ALA 107 -10.306 -26.002 -3.504 790 H SER 108 H SER 108 -10.930 -25.714 -7.619 791 HA SER 108 HA SER 108 -13.590 -25.095 -6.597 792 HB2 SER 108 1HB SER 108 -14.296 -25.000 -8.882 793 HB3 SER 108 2HB SER 108 -12.738 -24.179 -8.798 794 HG SER 108 HG SER 108 -12.538 -25.524 -10.495 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -0.038 36.430 12.130 2 HA2 GLY 1 1HA GLY 1 -2.275 34.680 12.144 3 HA3 GLY 1 2HA GLY 1 -2.251 35.625 10.663 4 H SER 2 H SER 2 -1.327 32.769 11.994 5 HA SER 2 HA SER 2 1.256 32.401 10.877 6 HB2 SER 2 1HB SER 2 -0.825 30.342 11.653 7 HB3 SER 2 2HB SER 2 0.872 30.002 11.318 8 HG SER 2 HG SER 2 1.068 31.807 13.071 9 H SER 3 H SER 3 1.816 32.122 8.830 10 HA SER 3 HA SER 3 -0.262 31.327 6.902 11 HB2 SER 3 1HB SER 3 0.802 33.586 6.603 12 HB3 SER 3 2HB SER 3 2.334 32.764 6.308 13 HG SER 3 HG SER 3 1.576 31.983 4.434 14 H GLY 4 H GLY 4 0.520 30.073 5.005 15 HA2 GLY 4 1HA GLY 4 1.427 27.613 5.532 16 HA3 GLY 4 2HA GLY 4 1.812 28.413 4.015 17 H SER 5 H SER 5 3.221 26.597 6.160 18 HA SER 5 HA SER 5 5.668 28.196 6.431 19 HB2 SER 5 1HB SER 5 4.986 25.573 7.776 20 HB3 SER 5 2HB SER 5 6.353 26.625 8.145 21 HG SER 5 HG SER 5 3.790 27.722 8.274 22 H SER 6 H SER 6 6.976 27.957 4.738 23 HA SER 6 HA SER 6 7.918 26.985 2.861 24 HB2 SER 6 1HB SER 6 8.774 25.495 5.301 25 HB3 SER 6 2HB SER 6 9.285 24.877 3.731 26 HG SER 6 HG SER 6 10.234 26.888 3.308 27 H GLY 7 H GLY 7 5.235 26.270 2.925 28 HA2 GLY 7 1HA GLY 7 3.954 24.831 1.619 29 HA3 GLY 7 2HA GLY 7 5.348 23.773 1.462 30 H VAL 8 H VAL 8 2.358 24.222 2.941 31 HA VAL 8 HA VAL 8 2.801 22.673 5.306 32 HB VAL 8 HB VAL 8 0.361 22.656 5.534 33 HG11 VAL 8 1HG1 VAL 8 0.749 25.441 4.696 34 HG12 VAL 8 2HG1 VAL 8 0.324 24.777 6.274 35 HG13 VAL 8 3HG1 VAL 8 2.009 24.806 5.753 36 HG21 VAL 8 1HG2 VAL 8 0.481 23.168 2.694 37 HG22 VAL 8 2HG2 VAL 8 -0.878 22.635 3.683 38 HG23 VAL 8 3HG2 VAL 8 -0.531 24.356 3.516 39 H VAL 9 H VAL 9 2.002 20.570 5.749 40 HA VAL 9 HA VAL 9 1.868 18.859 3.358 41 HB VAL 9 HB VAL 9 2.752 18.245 6.176 42 HG11 VAL 9 1HG1 VAL 9 1.738 16.252 5.733 43 HG12 VAL 9 2HG1 VAL 9 1.883 16.439 3.984 44 HG13 VAL 9 3HG1 VAL 9 3.287 15.962 4.941 45 HG21 VAL 9 1HG2 VAL 9 4.881 17.753 5.168 46 HG22 VAL 9 2HG2 VAL 9 4.219 17.993 3.551 47 HG23 VAL 9 3HG2 VAL 9 4.370 19.360 4.656 48 H ASP 10 H ASP 10 0.169 17.526 3.022 49 HA ASP 10 HA ASP 10 -1.889 17.361 5.119 50 HB2 ASP 10 1HB ASP 10 -2.314 18.978 3.087 51 HB3 ASP 10 2HB ASP 10 -2.691 17.481 2.237 52 HA PRO 11 HA PRO 11 -0.881 13.079 3.963 53 HB2 PRO 11 1HB PRO 11 -1.689 12.033 6.334 54 HB3 PRO 11 2HB PRO 11 -0.094 12.757 6.097 55 HG2 PRO 11 1HG PRO 11 -2.552 13.948 7.323 56 HG3 PRO 11 2HG PRO 11 -0.867 14.051 7.868 57 HD2 PRO 11 1HD PRO 11 -2.085 16.054 6.512 58 HD3 PRO 11 2HD PRO 11 -0.349 15.715 6.359 59 H SER 12 H SER 12 -3.711 14.768 4.386 60 HA SER 12 HA SER 12 -5.439 12.412 4.173 61 HB2 SER 12 1HB SER 12 -6.246 15.316 4.444 62 HB3 SER 12 2HB SER 12 -7.289 13.906 4.621 63 HG SER 12 HG SER 12 -6.695 13.822 6.622 64 H LYS 13 H LYS 13 -3.704 14.227 2.132 65 HA LYS 13 HA LYS 13 -5.760 14.255 0.025 66 HB2 LYS 13 1HB LYS 13 -3.092 15.672 0.003 67 HB3 LYS 13 2HB LYS 13 -4.418 15.887 -1.134 68 HG2 LYS 13 1HG LYS 13 -4.858 16.439 1.764 69 HG3 LYS 13 2HG LYS 13 -4.019 17.624 0.759 70 HD2 LYS 13 1HD LYS 13 -6.152 18.353 0.448 71 HD3 LYS 13 2HD LYS 13 -6.092 17.147 -0.840 72 HE2 LYS 13 1HE LYS 13 -7.191 15.527 0.561 73 HE3 LYS 13 2HE LYS 13 -7.115 16.615 1.947 74 HZ1 LYS 13 1HZ LYS 13 -9.181 16.393 0.171 75 HZ2 LYS 13 2HZ LYS 13 -8.406 17.824 -0.294 76 HZ3 LYS 13 3HZ LYS 13 -8.959 17.639 1.295 77 H VAL 14 H VAL 14 -3.188 12.475 1.155 78 HA VAL 14 HA VAL 14 -2.201 11.631 -1.447 79 HB VAL 14 HB VAL 14 -0.485 11.758 0.158 80 HG11 VAL 14 1HG1 VAL 14 -1.533 11.895 2.224 81 HG12 VAL 14 2HG1 VAL 14 -2.435 10.399 1.978 82 HG13 VAL 14 3HG1 VAL 14 -0.704 10.341 2.309 83 HG21 VAL 14 1HG2 VAL 14 -0.452 9.717 -1.240 84 HG22 VAL 14 2HG2 VAL 14 0.355 9.498 0.312 85 HG23 VAL 14 3HG2 VAL 14 -1.263 8.844 0.059 86 H LYS 15 H LYS 15 -3.030 9.997 -2.559 87 HA LYS 15 HA LYS 15 -4.584 7.952 -1.115 88 HB2 LYS 15 1HB LYS 15 -5.137 9.006 -3.895 89 HB3 LYS 15 2HB LYS 15 -6.071 7.783 -3.042 90 HG2 LYS 15 1HG LYS 15 -6.832 9.379 -1.440 91 HG3 LYS 15 2HG LYS 15 -5.736 10.611 -2.071 92 HD2 LYS 15 1HD LYS 15 -7.755 9.357 -3.882 93 HD3 LYS 15 2HD LYS 15 -8.258 10.619 -2.756 94 HE2 LYS 15 1HE LYS 15 -5.987 10.907 -4.716 95 HE3 LYS 15 2HE LYS 15 -7.637 11.441 -5.034 96 HZ1 LYS 15 1HZ LYS 15 -5.855 12.423 -2.871 97 HZ2 LYS 15 2HZ LYS 15 -7.468 12.886 -3.073 98 HZ3 LYS 15 3HZ LYS 15 -6.323 13.277 -4.255 99 H ILE 16 H ILE 16 -4.900 5.958 -2.631 100 HA ILE 16 HA ILE 16 -2.538 5.422 -4.256 101 HB ILE 16 HB ILE 16 -2.013 3.343 -3.114 102 HG12 ILE 16 1HG1 ILE 16 -4.190 4.164 -1.180 103 HG13 ILE 16 2HG1 ILE 16 -4.220 2.774 -2.260 104 HG21 ILE 16 1HG2 ILE 16 -0.732 5.181 -2.371 105 HG22 ILE 16 2HG2 ILE 16 -2.058 5.808 -1.394 106 HG23 ILE 16 3HG2 ILE 16 -1.233 4.324 -0.914 107 HD11 ILE 16 1HD1 ILE 16 -2.041 2.122 -0.955 108 HD12 ILE 16 2HD1 ILE 16 -2.734 3.176 0.279 109 HD13 ILE 16 3HD1 ILE 16 -3.640 1.776 -0.296 110 H ALA 17 H ALA 17 -2.973 4.160 -5.967 111 HA ALA 17 HA ALA 17 -5.343 2.445 -5.930 112 HB1 ALA 17 1HB ALA 17 -6.332 3.355 -7.839 113 HB2 ALA 17 2HB ALA 17 -5.856 4.766 -6.892 114 HB3 ALA 17 3HB ALA 17 -4.882 4.261 -8.272 115 H GLY 18 H GLY 18 -5.086 0.571 -7.026 116 HA2 GLY 18 1HA GLY 18 -3.555 0.095 -9.278 117 HA3 GLY 18 2HA GLY 18 -2.477 -0.149 -7.913 118 HA PRO 19 HA PRO 19 -5.067 -3.998 -8.883 119 HB2 PRO 19 1HB PRO 19 -3.052 -5.550 -9.831 120 HB3 PRO 19 2HB PRO 19 -4.037 -4.517 -10.871 121 HG2 PRO 19 1HG PRO 19 -1.311 -4.017 -9.741 122 HG3 PRO 19 2HG PRO 19 -1.921 -3.698 -11.375 123 HD2 PRO 19 1HD PRO 19 -1.690 -1.757 -9.500 124 HD3 PRO 19 2HD PRO 19 -2.961 -1.742 -10.740 125 H GLY 20 H GLY 20 -1.861 -3.483 -7.499 126 HA2 GLY 20 1HA GLY 20 -1.638 -5.856 -6.026 127 HA3 GLY 20 2HA GLY 20 -0.856 -4.335 -5.622 128 H LEU 21 H LEU 21 -3.110 -2.753 -5.147 129 HA LEU 21 HA LEU 21 -3.774 -3.631 -2.496 130 HB2 LEU 21 1HB LEU 21 -4.765 -1.255 -4.063 131 HB3 LEU 21 2HB LEU 21 -4.998 -1.520 -2.337 132 HG LEU 21 HG LEU 21 -2.214 -1.417 -3.391 133 HD11 LEU 21 1HD1 LEU 21 -2.436 1.129 -2.838 134 HD12 LEU 21 2HD1 LEU 21 -4.123 0.870 -3.279 135 HD13 LEU 21 3HD1 LEU 21 -2.845 0.523 -4.444 136 HD21 LEU 21 1HD2 LEU 21 -1.929 -0.242 -1.177 137 HD22 LEU 21 2HD2 LEU 21 -2.431 -1.931 -1.090 138 HD23 LEU 21 3HD2 LEU 21 -3.613 -0.645 -0.840 139 H GLY 22 H GLY 22 -5.258 -3.782 -5.611 140 HA2 GLY 22 1HA GLY 22 -7.958 -3.889 -5.019 141 HA3 GLY 22 2HA GLY 22 -7.194 -4.796 -6.315 142 H SER 23 H SER 23 -9.305 -5.970 -5.257 143 HA SER 23 HA SER 23 -8.528 -7.705 -3.064 144 HB2 SER 23 1HB SER 23 -11.069 -7.359 -4.649 145 HB3 SER 23 2HB SER 23 -10.860 -8.686 -3.508 146 HG SER 23 HG SER 23 -11.748 -7.087 -2.326 147 H GLY 24 H GLY 24 -8.246 -7.700 -6.418 148 HA2 GLY 24 1HA GLY 24 -8.423 -10.588 -6.731 149 HA3 GLY 24 2HA GLY 24 -8.069 -9.420 -7.996 150 H VAL 25 H VAL 25 -6.483 -9.969 -4.865 151 HA VAL 25 HA VAL 25 -3.914 -10.089 -6.243 152 HB VAL 25 HB VAL 25 -4.583 -9.917 -3.303 153 HG11 VAL 25 1HG1 VAL 25 -1.971 -10.216 -4.737 154 HG12 VAL 25 2HG1 VAL 25 -2.061 -9.368 -3.192 155 HG13 VAL 25 3HG1 VAL 25 -2.560 -11.056 -3.303 156 HG21 VAL 25 1HG2 VAL 25 -4.496 -7.699 -3.515 157 HG22 VAL 25 2HG2 VAL 25 -3.016 -7.773 -4.469 158 HG23 VAL 25 3HG2 VAL 25 -4.582 -7.954 -5.257 159 H ARG 26 H ARG 26 -2.468 -11.798 -6.055 160 HA ARG 26 HA ARG 26 -3.600 -14.302 -4.991 161 HB2 ARG 26 1HB ARG 26 -1.780 -14.009 -7.388 162 HB3 ARG 26 2HB ARG 26 -2.462 -15.509 -6.777 163 HG2 ARG 26 1HG ARG 26 -4.666 -14.850 -7.398 164 HG3 ARG 26 2HG ARG 26 -4.124 -13.217 -7.791 165 HD2 ARG 26 1HD ARG 26 -2.834 -15.497 -9.195 166 HD3 ARG 26 2HD ARG 26 -4.481 -15.066 -9.655 167 HE ARG 26 HE ARG 26 -2.076 -13.526 -10.123 168 HH11 ARG 26 1HH1 ARG 26 -5.555 -13.539 -10.008 169 HH12 ARG 26 2HH1 ARG 26 -5.724 -12.145 -11.024 170 HH21 ARG 26 1HH2 ARG 26 -2.285 -11.691 -11.461 171 HH22 ARG 26 2HH2 ARG 26 -3.862 -11.096 -11.851 172 H ALA 27 H ALA 27 -2.135 -15.801 -4.076 173 HA ALA 27 HA ALA 27 -0.015 -14.600 -2.603 174 HB1 ALA 27 1HB ALA 27 -0.698 -17.522 -2.915 175 HB2 ALA 27 2HB ALA 27 0.348 -16.820 -1.678 176 HB3 ALA 27 3HB ALA 27 -1.372 -16.432 -1.702 177 H ARG 28 H ARG 28 2.206 -14.954 -2.734 178 HA ARG 28 HA ARG 28 4.207 -15.142 -3.803 179 HB2 ARG 28 1HB ARG 28 2.825 -17.549 -5.000 180 HB3 ARG 28 2HB ARG 28 4.546 -17.218 -5.139 181 HG2 ARG 28 1HG ARG 28 4.368 -17.110 -2.502 182 HG3 ARG 28 2HG ARG 28 2.973 -18.147 -2.806 183 HD2 ARG 28 1HD ARG 28 5.728 -18.673 -3.906 184 HD3 ARG 28 2HD ARG 28 5.127 -19.361 -2.398 185 HE ARG 28 HE ARG 28 4.503 -20.223 -5.045 186 HH11 ARG 28 1HH1 ARG 28 3.244 -19.961 -1.811 187 HH12 ARG 28 2HH1 ARG 28 2.133 -21.279 -1.996 188 HH21 ARG 28 1HH2 ARG 28 3.046 -21.960 -5.301 189 HH22 ARG 28 2HH2 ARG 28 2.023 -22.415 -3.982 190 H VAL 29 H VAL 29 2.205 -13.449 -4.998 191 HA VAL 29 HA VAL 29 3.080 -13.571 -7.810 192 HB VAL 29 HB VAL 29 0.409 -12.639 -6.752 193 HG11 VAL 29 1HG1 VAL 29 1.833 -12.054 -9.240 194 HG12 VAL 29 2HG1 VAL 29 0.200 -12.679 -9.477 195 HG13 VAL 29 3HG1 VAL 29 0.459 -11.234 -8.498 196 HG21 VAL 29 1HG2 VAL 29 0.078 -14.877 -6.912 197 HG22 VAL 29 2HG2 VAL 29 -0.187 -14.468 -8.608 198 HG23 VAL 29 3HG2 VAL 29 1.376 -15.098 -8.086 199 H LEU 30 H LEU 30 3.693 -11.663 -8.784 200 HA LEU 30 HA LEU 30 4.704 -9.627 -7.092 201 HB2 LEU 30 1HB LEU 30 5.787 -10.196 -9.181 202 HB3 LEU 30 2HB LEU 30 4.354 -9.710 -10.084 203 HG LEU 30 HG LEU 30 4.864 -7.389 -8.888 204 HD11 LEU 30 1HD1 LEU 30 7.540 -8.763 -9.055 205 HD12 LEU 30 2HD1 LEU 30 6.759 -8.118 -7.612 206 HD13 LEU 30 3HD1 LEU 30 7.318 -7.023 -8.877 207 HD21 LEU 30 1HD2 LEU 30 6.689 -7.689 -11.116 208 HD22 LEU 30 2HD2 LEU 30 5.204 -6.747 -10.993 209 HD23 LEU 30 3HD2 LEU 30 5.133 -8.454 -11.434 210 H GLN 31 H GLN 31 3.457 -8.208 -6.069 211 HA GLN 31 HA GLN 31 1.146 -7.080 -7.507 212 HB2 GLN 31 1HB GLN 31 1.536 -7.208 -4.515 213 HB3 GLN 31 2HB GLN 31 0.087 -6.702 -5.372 214 HG2 GLN 31 1HG GLN 31 1.255 -9.472 -5.481 215 HG3 GLN 31 2HG GLN 31 -0.059 -8.976 -4.417 216 HE21 GLN 31 1HE2 GLN 31 -0.431 -11.035 -6.145 217 HE22 GLN 31 2HE2 GLN 31 -1.516 -10.566 -7.405 218 H SER 32 H SER 32 1.109 -4.956 -7.895 219 HA SER 32 HA SER 32 2.746 -3.149 -6.294 220 HB2 SER 32 1HB SER 32 4.255 -3.755 -8.096 221 HB3 SER 32 2HB SER 32 3.010 -3.417 -9.298 222 HG SER 32 HG SER 32 4.431 -1.608 -7.664 223 H PHE 33 H PHE 33 2.076 -0.986 -6.362 224 HA PHE 33 HA PHE 33 -0.304 -0.366 -7.946 225 HB2 PHE 33 1HB PHE 33 -1.289 0.722 -5.853 226 HB3 PHE 33 2HB PHE 33 -1.337 -1.036 -5.931 227 HD1 PHE 33 1HD PHE 33 0.702 -2.253 -4.822 228 HD2 PHE 33 2HD PHE 33 -0.506 1.733 -3.944 229 HE1 PHE 33 1HE PHE 33 1.865 -2.381 -2.657 230 HE2 PHE 33 2HE PHE 33 0.656 1.611 -1.778 231 HZ PHE 33 HZ PHE 33 1.845 -0.448 -1.133 232 H THR 34 H THR 34 -0.925 2.079 -7.266 233 HA THR 34 HA THR 34 1.589 3.613 -7.413 234 HB THR 34 HB THR 34 -1.035 4.216 -8.790 235 HG1 THR 34 1HG THR 34 0.168 2.640 -9.881 236 HG21 THR 34 1HG2 THR 34 0.828 6.044 -7.885 237 HG22 THR 34 2HG2 THR 34 -0.346 6.312 -9.174 238 HG23 THR 34 3HG2 THR 34 1.291 5.786 -9.566 239 H VAL 35 H VAL 35 1.875 5.153 -5.930 240 HA VAL 35 HA VAL 35 -0.418 5.871 -4.229 241 HB VAL 35 HB VAL 35 2.526 6.063 -3.579 242 HG11 VAL 35 1HG1 VAL 35 1.755 7.566 -2.095 243 HG12 VAL 35 2HG1 VAL 35 0.085 7.016 -2.254 244 HG13 VAL 35 3HG1 VAL 35 1.206 6.142 -1.211 245 HG21 VAL 35 1HG2 VAL 35 1.156 4.257 -1.884 246 HG22 VAL 35 2HG2 VAL 35 0.763 3.828 -3.548 247 HG23 VAL 35 3HG2 VAL 35 2.447 3.911 -3.034 248 H ASP 36 H ASP 36 -1.279 7.717 -4.958 249 HA ASP 36 HA ASP 36 0.403 9.809 -6.066 250 HB2 ASP 36 1HB ASP 36 -1.791 9.207 -7.096 251 HB3 ASP 36 2HB ASP 36 -2.592 9.802 -5.645 252 H SER 37 H SER 37 1.464 11.021 -4.632 253 HA SER 37 HA SER 37 -0.049 12.079 -2.336 254 HB2 SER 37 1HB SER 37 1.963 12.036 -0.998 255 HB3 SER 37 2HB SER 37 1.716 10.428 -1.682 256 HG SER 37 HG SER 37 3.497 12.426 -2.632 257 H SER 38 H SER 38 0.523 13.098 -5.120 258 HA SER 38 HA SER 38 2.363 15.240 -4.936 259 HB2 SER 38 1HB SER 38 1.643 14.336 -7.096 260 HB3 SER 38 2HB SER 38 -0.006 14.882 -6.789 261 HG SER 38 HG SER 38 2.116 16.270 -7.744 262 H LYS 39 H LYS 39 -1.073 14.948 -4.265 263 HA LYS 39 HA LYS 39 -1.399 17.783 -3.803 264 HB2 LYS 39 1HB LYS 39 -3.250 15.435 -3.366 265 HB3 LYS 39 2HB LYS 39 -3.698 17.108 -3.066 266 HG2 LYS 39 1HG LYS 39 -2.637 16.380 -5.746 267 HG3 LYS 39 2HG LYS 39 -4.290 15.924 -5.330 268 HD2 LYS 39 1HD LYS 39 -4.727 18.297 -4.724 269 HD3 LYS 39 2HD LYS 39 -3.112 18.702 -5.311 270 HE2 LYS 39 1HE LYS 39 -5.144 17.302 -7.027 271 HE3 LYS 39 2HE LYS 39 -5.058 19.059 -6.916 272 HZ1 LYS 39 1HZ LYS 39 -2.520 18.493 -7.422 273 HZ2 LYS 39 2HZ LYS 39 -3.658 18.780 -8.641 274 HZ3 LYS 39 3HZ LYS 39 -3.251 17.193 -8.221 275 H ALA 40 H ALA 40 -0.146 15.233 -2.053 276 HA ALA 40 HA ALA 40 -1.069 16.071 0.554 277 HB1 ALA 40 1HB ALA 40 -0.709 13.775 0.442 278 HB2 ALA 40 2HB ALA 40 0.820 13.958 -0.418 279 HB3 ALA 40 3HB ALA 40 0.716 14.371 1.293 280 H GLY 41 H GLY 41 1.784 16.474 -1.456 281 HA2 GLY 41 1HA GLY 41 2.846 18.734 -0.945 282 HA3 GLY 41 2HA GLY 41 3.017 18.093 0.682 283 H LEU 42 H LEU 42 5.160 17.873 0.933 284 HA LEU 42 HA LEU 42 6.590 16.249 -1.066 285 HB2 LEU 42 1HB LEU 42 8.644 17.500 -0.318 286 HB3 LEU 42 2HB LEU 42 7.477 18.418 -1.268 287 HG LEU 42 HG LEU 42 8.579 19.568 0.738 288 HD11 LEU 42 1HD1 LEU 42 6.806 20.996 0.876 289 HD12 LEU 42 2HD1 LEU 42 5.620 19.695 0.980 290 HD13 LEU 42 3HD1 LEU 42 6.353 20.097 -0.573 291 HD21 LEU 42 1HD2 LEU 42 6.461 18.094 2.281 292 HD22 LEU 42 2HD2 LEU 42 7.740 19.143 2.895 293 HD23 LEU 42 3HD2 LEU 42 8.142 17.559 2.231 294 H ALA 43 H ALA 43 5.164 15.607 1.517 295 HA ALA 43 HA ALA 43 7.244 14.834 3.349 296 HB1 ALA 43 1HB ALA 43 4.311 14.797 3.306 297 HB2 ALA 43 2HB ALA 43 5.055 13.458 4.181 298 HB3 ALA 43 3HB ALA 43 5.425 15.122 4.634 299 HA PRO 44 HA PRO 44 8.227 10.863 1.746 300 HB2 PRO 44 1HB PRO 44 8.825 9.534 4.037 301 HB3 PRO 44 2HB PRO 44 9.878 10.771 3.342 302 HG2 PRO 44 1HG PRO 44 7.906 11.001 5.583 303 HG3 PRO 44 2HG PRO 44 9.546 11.663 5.463 304 HD2 PRO 44 1HD PRO 44 7.333 13.161 5.021 305 HD3 PRO 44 2HD PRO 44 8.866 13.448 4.173 306 H LEU 45 H LEU 45 7.639 8.558 1.863 307 HA LEU 45 HA LEU 45 4.946 8.145 2.982 308 HB2 LEU 45 1HB LEU 45 4.773 8.399 0.589 309 HB3 LEU 45 2HB LEU 45 6.044 7.203 0.338 310 HG LEU 45 HG LEU 45 4.376 5.603 1.563 311 HD11 LEU 45 1HD1 LEU 45 2.848 7.611 2.027 312 HD12 LEU 45 2HD1 LEU 45 2.109 6.121 1.440 313 HD13 LEU 45 3HD1 LEU 45 2.378 7.468 0.333 314 HD21 LEU 45 1HD2 LEU 45 3.890 4.731 -0.478 315 HD22 LEU 45 2HD2 LEU 45 5.143 5.871 -0.970 316 HD23 LEU 45 3HD2 LEU 45 3.442 6.293 -1.165 317 H GLU 46 H GLU 46 4.619 6.314 4.118 318 HA GLU 46 HA GLU 46 6.814 4.349 4.174 319 HB2 GLU 46 1HB GLU 46 6.337 5.872 6.247 320 HB3 GLU 46 2HB GLU 46 4.988 4.777 6.511 321 HG2 GLU 46 1HG GLU 46 6.350 2.989 6.985 322 HG3 GLU 46 2HG GLU 46 7.714 3.653 6.087 323 H VAL 47 H VAL 47 6.281 2.166 4.334 324 HA VAL 47 HA VAL 47 3.438 1.467 4.127 325 HB VAL 47 HB VAL 47 5.566 0.373 2.283 326 HG11 VAL 47 1HG1 VAL 47 2.584 -0.081 2.286 327 HG12 VAL 47 2HG1 VAL 47 3.762 -0.798 1.186 328 HG13 VAL 47 3HG1 VAL 47 3.780 -1.223 2.898 329 HG21 VAL 47 1HG2 VAL 47 3.436 1.658 0.904 330 HG22 VAL 47 2HG2 VAL 47 4.068 2.774 2.114 331 HG23 VAL 47 3HG2 VAL 47 5.151 2.071 0.913 332 H ARG 48 H ARG 48 2.915 -0.647 4.790 333 HA ARG 48 HA ARG 48 4.996 -2.388 5.794 334 HB2 ARG 48 1HB ARG 48 3.162 -0.846 7.594 335 HB3 ARG 48 2HB ARG 48 3.692 -2.455 8.063 336 HG2 ARG 48 1HG ARG 48 6.064 -1.598 7.652 337 HG3 ARG 48 2HG ARG 48 5.340 0.012 7.653 338 HD2 ARG 48 1HD ARG 48 4.767 -0.101 9.881 339 HD3 ARG 48 2HD ARG 48 4.727 -1.863 9.889 340 HE ARG 48 HE ARG 48 6.968 -0.203 10.466 341 HH11 ARG 48 1HH1 ARG 48 6.039 -3.263 9.088 342 HH12 ARG 48 2HH1 ARG 48 7.555 -4.027 9.436 343 HH21 ARG 48 1HH2 ARG 48 8.968 -1.198 10.927 344 HH22 ARG 48 2HH2 ARG 48 9.220 -2.852 10.481 345 H VAL 49 H VAL 49 4.398 -4.473 5.667 346 HA VAL 49 HA VAL 49 1.559 -5.036 5.114 347 HB VAL 49 HB VAL 49 3.973 -6.620 4.227 348 HG11 VAL 49 1HG1 VAL 49 1.506 -7.610 4.643 349 HG12 VAL 49 2HG1 VAL 49 1.332 -7.035 2.983 350 HG13 VAL 49 3HG1 VAL 49 2.595 -8.198 3.388 351 HG21 VAL 49 1HG2 VAL 49 2.518 -4.373 3.036 352 HG22 VAL 49 2HG2 VAL 49 4.136 -4.985 2.695 353 HG23 VAL 49 3HG2 VAL 49 2.729 -5.755 1.962 354 H LEU 50 H LEU 50 0.492 -6.336 6.461 355 HA LEU 50 HA LEU 50 2.051 -8.016 8.313 356 HB2 LEU 50 1HB LEU 50 -0.329 -6.269 8.841 357 HB3 LEU 50 2HB LEU 50 0.064 -7.627 9.892 358 HG LEU 50 HG LEU 50 0.896 -5.584 10.861 359 HD11 LEU 50 1HD1 LEU 50 2.400 -7.856 10.405 360 HD12 LEU 50 2HD1 LEU 50 2.740 -6.593 11.587 361 HD13 LEU 50 3HD1 LEU 50 3.492 -6.534 9.993 362 HD21 LEU 50 1HD2 LEU 50 1.155 -4.589 8.423 363 HD22 LEU 50 2HD2 LEU 50 2.820 -5.124 8.645 364 HD23 LEU 50 3HD2 LEU 50 2.103 -3.980 9.780 365 H GLY 51 H GLY 51 1.550 -10.112 8.290 366 HA2 GLY 51 1HA GLY 51 -0.468 -11.103 6.526 367 HA3 GLY 51 2HA GLY 51 0.542 -12.064 7.595 368 HA PRO 52 HA PRO 52 -3.910 -11.977 9.103 369 HB2 PRO 52 1HB PRO 52 -4.335 -14.652 8.934 370 HB3 PRO 52 2HB PRO 52 -4.652 -13.543 7.595 371 HG2 PRO 52 1HG PRO 52 -2.285 -15.312 8.069 372 HG3 PRO 52 2HG PRO 52 -3.172 -15.010 6.564 373 HD2 PRO 52 1HD PRO 52 -0.815 -13.803 7.132 374 HD3 PRO 52 2HD PRO 52 -2.087 -13.014 6.176 375 H ARG 53 H ARG 53 -1.269 -14.267 9.710 376 HA ARG 53 HA ARG 53 -2.169 -14.731 12.428 377 HB2 ARG 53 1HB ARG 53 0.479 -15.673 11.408 378 HB3 ARG 53 2HB ARG 53 -0.633 -16.460 12.518 379 HG2 ARG 53 1HG ARG 53 -1.066 -17.765 10.747 380 HG3 ARG 53 2HG ARG 53 -2.131 -16.438 10.280 381 HD2 ARG 53 1HD ARG 53 -0.926 -16.747 8.346 382 HD3 ARG 53 2HD ARG 53 0.022 -15.495 9.145 383 HE ARG 53 HE ARG 53 0.752 -18.312 8.848 384 HH11 ARG 53 1HH1 ARG 53 1.530 -15.111 9.972 385 HH12 ARG 53 2HH1 ARG 53 3.215 -15.453 10.187 386 HH21 ARG 53 1HH2 ARG 53 2.968 -18.776 9.125 387 HH22 ARG 53 2HH2 ARG 53 4.032 -17.538 9.704 388 H GLY 54 H GLY 54 0.259 -12.873 10.730 389 HA2 GLY 54 1HA GLY 54 0.789 -10.802 12.147 390 HA3 GLY 54 2HA GLY 54 1.377 -11.984 13.308 391 H LEU 55 H LEU 55 1.762 -12.379 9.855 392 HA LEU 55 HA LEU 55 4.626 -12.535 10.178 393 HB2 LEU 55 1HB LEU 55 3.744 -14.145 8.730 394 HB3 LEU 55 2HB LEU 55 2.734 -12.968 7.893 395 HG LEU 55 HG LEU 55 4.917 -11.966 7.024 396 HD11 LEU 55 1HD1 LEU 55 5.954 -14.059 8.679 397 HD12 LEU 55 2HD1 LEU 55 6.819 -12.810 7.785 398 HD13 LEU 55 3HD1 LEU 55 6.421 -14.337 7.000 399 HD21 LEU 55 1HD2 LEU 55 3.838 -12.970 5.316 400 HD22 LEU 55 2HD2 LEU 55 3.563 -14.460 6.220 401 HD23 LEU 55 3HD2 LEU 55 5.134 -14.156 5.477 402 H VAL 56 H VAL 56 6.164 -11.225 9.173 403 HA VAL 56 HA VAL 56 5.168 -8.568 8.384 404 HB VAL 56 HB VAL 56 7.861 -9.322 9.528 405 HG11 VAL 56 1HG1 VAL 56 6.805 -6.554 9.005 406 HG12 VAL 56 2HG1 VAL 56 8.440 -7.027 9.469 407 HG13 VAL 56 3HG1 VAL 56 7.828 -7.425 7.863 408 HG21 VAL 56 1HG2 VAL 56 5.442 -8.941 10.832 409 HG22 VAL 56 2HG2 VAL 56 7.047 -8.895 11.559 410 HG23 VAL 56 3HG2 VAL 56 6.283 -7.402 11.014 411 H GLU 57 H GLU 57 5.073 -8.501 6.220 412 HA GLU 57 HA GLU 57 7.198 -9.745 4.643 413 HB2 GLU 57 1HB GLU 57 4.449 -8.723 4.000 414 HB3 GLU 57 2HB GLU 57 5.625 -8.986 2.720 415 HG2 GLU 57 1HG GLU 57 5.867 -11.343 3.662 416 HG3 GLU 57 2HG GLU 57 4.394 -10.998 4.567 417 HA PRO 58 HA PRO 58 9.246 -5.936 3.842 418 HB2 PRO 58 1HB PRO 58 10.438 -6.563 1.485 419 HB3 PRO 58 2HB PRO 58 10.982 -7.210 3.038 420 HG2 PRO 58 1HG PRO 58 9.252 -8.486 0.955 421 HG3 PRO 58 2HG PRO 58 10.583 -9.192 1.890 422 HD2 PRO 58 1HD PRO 58 7.982 -9.603 2.519 423 HD3 PRO 58 2HD PRO 58 9.262 -9.536 3.747 424 H VAL 59 H VAL 59 9.456 -4.233 2.167 425 HA VAL 59 HA VAL 59 7.338 -4.225 0.150 426 HB VAL 59 HB VAL 59 6.655 -1.923 0.816 427 HG11 VAL 59 1HG1 VAL 59 6.166 -3.719 3.154 428 HG12 VAL 59 2HG1 VAL 59 5.046 -2.654 2.303 429 HG13 VAL 59 3HG1 VAL 59 5.563 -4.167 1.559 430 HG21 VAL 59 1HG2 VAL 59 8.102 -0.879 2.179 431 HG22 VAL 59 2HG2 VAL 59 7.242 -1.718 3.469 432 HG23 VAL 59 3HG2 VAL 59 8.739 -2.390 2.825 433 H ASN 60 H ASN 60 7.516 -2.251 -1.277 434 HA ASN 60 HA ASN 60 10.330 -1.420 -1.548 435 HB2 ASN 60 1HB ASN 60 10.099 -2.911 -3.328 436 HB3 ASN 60 2HB ASN 60 8.423 -2.454 -3.622 437 HD21 ASN 60 1HD2 ASN 60 8.094 -0.198 -4.386 438 HD22 ASN 60 2HD2 ASN 60 9.243 0.438 -5.509 439 H VAL 61 H VAL 61 10.718 0.687 -2.108 440 HA VAL 61 HA VAL 61 8.386 2.425 -2.547 441 HB VAL 61 HB VAL 61 10.663 2.995 -0.644 442 HG11 VAL 61 1HG1 VAL 61 10.258 5.123 -1.247 443 HG12 VAL 61 2HG1 VAL 61 8.695 4.730 -1.966 444 HG13 VAL 61 3HG1 VAL 61 8.834 4.952 -0.221 445 HG21 VAL 61 1HG2 VAL 61 7.724 2.754 -0.035 446 HG22 VAL 61 2HG2 VAL 61 8.862 1.417 0.132 447 HG23 VAL 61 3HG2 VAL 61 9.061 2.871 1.109 448 H VAL 62 H VAL 62 8.653 3.245 -4.516 449 HA VAL 62 HA VAL 62 11.229 4.480 -5.179 450 HB VAL 62 HB VAL 62 9.699 2.656 -7.040 451 HG11 VAL 62 1HG1 VAL 62 11.070 4.859 -7.795 452 HG12 VAL 62 2HG1 VAL 62 12.360 3.655 -7.803 453 HG13 VAL 62 3HG1 VAL 62 10.913 3.406 -8.781 454 HG21 VAL 62 1HG2 VAL 62 10.981 1.020 -6.258 455 HG22 VAL 62 2HG2 VAL 62 12.416 1.916 -6.753 456 HG23 VAL 62 3HG2 VAL 62 11.753 2.139 -5.135 457 H ASP 63 H ASP 63 10.827 6.552 -5.539 458 HA ASP 63 HA ASP 63 8.225 7.538 -6.170 459 HB2 ASP 63 1HB ASP 63 9.848 8.815 -4.808 460 HB3 ASP 63 2HB ASP 63 10.883 8.983 -6.224 461 H ASN 64 H ASN 64 7.406 8.291 -8.074 462 HA ASN 64 HA ASN 64 8.615 7.305 -10.485 463 HB2 ASN 64 1HB ASN 64 6.102 8.904 -9.972 464 HB3 ASN 64 2HB ASN 64 6.600 8.367 -11.574 465 HD21 ASN 64 1HD2 ASN 64 6.052 7.101 -8.308 466 HD22 ASN 64 2HD2 ASN 64 5.341 5.612 -8.821 467 H GLY 65 H GLY 65 7.964 10.500 -9.091 468 HA2 GLY 65 1HA GLY 65 9.711 12.197 -9.421 469 HA3 GLY 65 2HA GLY 65 9.838 11.626 -11.078 470 H ASP 66 H ASP 66 6.782 11.385 -11.029 471 HA ASP 66 HA ASP 66 6.314 14.122 -11.914 472 HB2 ASP 66 1HB ASP 66 4.598 11.641 -12.161 473 HB3 ASP 66 2HB ASP 66 4.217 13.212 -12.862 474 H GLY 67 H GLY 67 5.034 11.777 -9.591 475 HA2 GLY 67 1HA GLY 67 4.454 13.441 -7.535 476 HA3 GLY 67 2HA GLY 67 3.059 13.631 -8.587 477 H THR 68 H THR 68 4.850 10.637 -8.208 478 HA THR 68 HA THR 68 2.833 9.534 -6.426 479 HB THR 68 HB THR 68 2.301 7.643 -7.869 480 HG1 THR 68 1HG THR 68 2.998 8.070 -10.208 481 HG21 THR 68 1HG2 THR 68 0.837 8.740 -9.384 482 HG22 THR 68 2HG2 THR 68 1.871 10.168 -9.456 483 HG23 THR 68 3HG2 THR 68 0.982 9.798 -7.980 484 H HIS 69 H HIS 69 3.366 7.048 -6.157 485 HA HIS 69 HA HIS 69 6.229 6.528 -6.295 486 HB2 HIS 69 1HB HIS 69 4.737 6.386 -3.669 487 HB3 HIS 69 2HB HIS 69 6.441 6.030 -3.932 488 HD1 HIS 69 1HD HIS 69 7.928 7.873 -3.257 489 HD2 HIS 69 2HD HIS 69 4.207 9.270 -4.469 490 HE1 HIS 69 1HE HIS 69 8.010 10.367 -2.942 491 HE2 HIS 69 2HE HIS 69 5.719 11.181 -3.602 492 H THR 70 H THR 70 6.553 4.502 -6.919 493 HA THR 70 HA THR 70 4.336 2.643 -6.977 494 HB THR 70 HB THR 70 7.162 2.445 -8.022 495 HG1 THR 70 1HG THR 70 5.220 3.712 -9.013 496 HG21 THR 70 1HG2 THR 70 6.586 0.343 -9.023 497 HG22 THR 70 2HG2 THR 70 4.927 0.463 -8.441 498 HG23 THR 70 3HG2 THR 70 6.247 0.232 -7.296 499 H VAL 71 H VAL 71 4.152 0.757 -5.846 500 HA VAL 71 HA VAL 71 6.265 0.131 -3.895 501 HB VAL 71 HB VAL 71 3.297 0.112 -3.328 502 HG11 VAL 71 1HG1 VAL 71 3.874 -0.559 -1.089 503 HG12 VAL 71 2HG1 VAL 71 4.572 -1.711 -2.231 504 HG13 VAL 71 3HG1 VAL 71 5.595 -0.490 -1.471 505 HG21 VAL 71 1HG2 VAL 71 4.065 1.819 -1.565 506 HG22 VAL 71 2HG2 VAL 71 5.517 1.977 -2.555 507 HG23 VAL 71 3HG2 VAL 71 3.937 2.357 -3.240 508 H THR 72 H THR 72 7.055 -1.721 -4.712 509 HA THR 72 HA THR 72 5.233 -3.750 -5.754 510 HB THR 72 HB THR 72 7.331 -4.960 -6.383 511 HG1 THR 72 1HG THR 72 8.793 -4.108 -4.910 512 HG21 THR 72 1HG2 THR 72 7.635 -2.226 -7.508 513 HG22 THR 72 2HG2 THR 72 6.078 -3.029 -7.716 514 HG23 THR 72 3HG2 THR 72 7.549 -3.783 -8.329 515 H TYR 73 H TYR 73 4.894 -5.718 -4.831 516 HA TYR 73 HA TYR 73 6.484 -6.671 -2.633 517 HB2 TYR 73 1HB TYR 73 4.999 -6.429 -0.873 518 HB3 TYR 73 2HB TYR 73 4.752 -4.919 -1.743 519 HD1 TYR 73 2HD TYR 73 3.298 -8.177 -0.897 520 HD2 TYR 73 1HD TYR 73 2.686 -4.490 -2.931 521 HE1 TYR 73 2HE TYR 73 0.897 -8.680 -1.075 522 HE2 TYR 73 1HE TYR 73 0.283 -4.983 -3.114 523 HH TYR 73 HH TYR 73 -1.387 -6.323 -2.331 524 H THR 74 H THR 74 5.502 -8.733 -1.719 525 HA THR 74 HA THR 74 3.722 -10.119 -3.565 526 HB THR 74 HB THR 74 6.486 -11.169 -2.926 527 HG1 THR 74 1HG THR 74 5.360 -9.866 -5.132 528 HG21 THR 74 1HG2 THR 74 4.466 -12.793 -3.132 529 HG22 THR 74 2HG2 THR 74 5.942 -13.138 -4.032 530 HG23 THR 74 3HG2 THR 74 4.559 -12.416 -4.851 531 HA PRO 75 HA PRO 75 2.427 -11.456 0.503 532 HB2 PRO 75 1HB PRO 75 0.207 -12.761 -0.357 533 HB3 PRO 75 2HB PRO 75 0.283 -11.003 -0.187 534 HG2 PRO 75 1HG PRO 75 0.581 -12.683 -2.647 535 HG3 PRO 75 2HG PRO 75 -0.315 -11.168 -2.428 536 HD2 PRO 75 1HD PRO 75 2.133 -11.258 -3.580 537 HD3 PRO 75 2HD PRO 75 1.581 -9.872 -2.618 538 H SER 76 H SER 76 4.007 -12.954 1.032 539 HA SER 76 HA SER 76 4.858 -15.214 -0.107 540 HB2 SER 76 1HB SER 76 5.586 -14.433 2.127 541 HB3 SER 76 2HB SER 76 4.082 -15.044 2.816 542 HG SER 76 HG SER 76 4.716 -17.134 2.146 543 H GLN 77 H GLN 77 1.947 -15.122 1.950 544 HA GLN 77 HA GLN 77 0.938 -17.450 0.461 545 HB2 GLN 77 1HB GLN 77 -0.113 -18.239 2.578 546 HB3 GLN 77 2HB GLN 77 1.645 -18.279 2.604 547 HG2 GLN 77 1HG GLN 77 1.316 -15.883 3.675 548 HG3 GLN 77 2HG GLN 77 -0.241 -16.574 4.127 549 HE21 GLN 77 1HE2 GLN 77 0.071 -16.795 6.273 550 HE22 GLN 77 2HE2 GLN 77 1.276 -17.810 6.982 551 H GLU 78 H GLU 78 -1.526 -17.734 1.106 552 HA GLU 78 HA GLU 78 -2.782 -15.223 0.363 553 HB2 GLU 78 1HB GLU 78 -4.773 -16.554 -0.051 554 HB3 GLU 78 2HB GLU 78 -3.380 -17.297 -0.825 555 HG2 GLU 78 1HG GLU 78 -4.268 -18.179 1.889 556 HG3 GLU 78 2HG GLU 78 -5.057 -18.786 0.435 557 H GLY 79 H GLY 79 -4.911 -14.668 1.411 558 HA2 GLY 79 1HA GLY 79 -6.201 -15.134 3.544 559 HA3 GLY 79 2HA GLY 79 -4.638 -14.986 4.333 560 HA PRO 80 HA PRO 80 -6.890 -10.839 4.060 561 HB2 PRO 80 1HB PRO 80 -7.322 -10.515 6.721 562 HB3 PRO 80 2HB PRO 80 -8.477 -11.319 5.650 563 HG2 PRO 80 1HG PRO 80 -6.452 -12.522 7.498 564 HG3 PRO 80 2HG PRO 80 -8.135 -13.003 7.216 565 HD2 PRO 80 1HD PRO 80 -6.041 -14.298 6.088 566 HD3 PRO 80 2HD PRO 80 -7.617 -14.147 5.283 567 H TYR 81 H TYR 81 -4.831 -10.035 3.462 568 HA TYR 81 HA TYR 81 -2.872 -9.581 5.572 569 HB2 TYR 81 1HB TYR 81 -2.851 -9.492 2.599 570 HB3 TYR 81 2HB TYR 81 -1.728 -8.430 3.442 571 HD1 TYR 81 1HD TYR 81 -2.890 -11.965 3.867 572 HD2 TYR 81 2HD TYR 81 0.402 -9.284 3.575 573 HE1 TYR 81 1HE TYR 81 -1.336 -13.849 4.158 574 HE2 TYR 81 2HE TYR 81 1.964 -11.161 3.865 575 HH TYR 81 HH TYR 81 0.916 -14.292 4.828 576 H MET 82 H MET 82 -2.048 -7.501 6.073 577 HA MET 82 HA MET 82 -3.888 -5.295 5.418 578 HB2 MET 82 1HB MET 82 -4.229 -5.773 7.711 579 HB3 MET 82 2HB MET 82 -2.507 -5.972 8.006 580 HG2 MET 82 1HG MET 82 -3.642 -3.341 7.144 581 HG3 MET 82 2HG MET 82 -3.652 -3.840 8.834 582 HE1 MET 82 1HE MET 82 -0.485 -2.735 10.135 583 HE2 MET 82 2HE MET 82 -2.191 -3.149 10.306 584 HE3 MET 82 3HE MET 82 -0.984 -4.427 10.151 585 H VAL 83 H VAL 83 -3.017 -3.543 4.508 586 HA VAL 83 HA VAL 83 -0.078 -3.316 4.494 587 HB VAL 83 HB VAL 83 -2.071 -2.388 2.422 588 HG11 VAL 83 1HG1 VAL 83 0.334 -2.083 1.246 589 HG12 VAL 83 2HG1 VAL 83 -0.522 -0.783 2.078 590 HG13 VAL 83 3HG1 VAL 83 0.747 -1.680 2.912 591 HG21 VAL 83 1HG2 VAL 83 -0.071 -4.052 1.338 592 HG22 VAL 83 2HG2 VAL 83 -0.658 -4.843 2.800 593 HG23 VAL 83 3HG2 VAL 83 -1.790 -4.399 1.522 594 H SER 84 H SER 84 0.233 -1.980 6.232 595 HA SER 84 HA SER 84 -1.357 0.386 6.627 596 HB2 SER 84 1HB SER 84 -0.496 -0.734 8.584 597 HB3 SER 84 2HB SER 84 1.157 -0.614 7.981 598 HG SER 84 HG SER 84 0.997 1.068 9.334 599 H VAL 85 H VAL 85 -0.844 2.475 6.173 600 HA VAL 85 HA VAL 85 1.757 3.032 4.932 601 HB VAL 85 HB VAL 85 -0.893 3.904 3.772 602 HG11 VAL 85 1HG1 VAL 85 1.137 4.384 1.939 603 HG12 VAL 85 2HG1 VAL 85 0.274 5.587 2.898 604 HG13 VAL 85 3HG1 VAL 85 1.799 4.922 3.482 605 HG21 VAL 85 1HG2 VAL 85 0.920 1.654 3.206 606 HG22 VAL 85 2HG2 VAL 85 -0.810 1.822 2.906 607 HG23 VAL 85 3HG2 VAL 85 0.352 2.549 1.797 608 H LYS 86 H LYS 86 2.645 4.922 5.533 609 HA LYS 86 HA LYS 86 0.952 6.826 7.012 610 HB2 LYS 86 1HB LYS 86 2.784 5.348 8.247 611 HB3 LYS 86 2HB LYS 86 3.856 6.604 7.646 612 HG2 LYS 86 1HG LYS 86 2.722 8.286 8.859 613 HG3 LYS 86 2HG LYS 86 1.376 7.206 9.233 614 HD2 LYS 86 1HD LYS 86 3.067 5.773 10.475 615 HD3 LYS 86 2HD LYS 86 4.184 7.130 10.313 616 HE2 LYS 86 1HE LYS 86 2.504 8.572 11.438 617 HE3 LYS 86 2HE LYS 86 1.502 7.145 11.693 618 HZ1 LYS 86 1HZ LYS 86 4.112 6.629 12.612 619 HZ2 LYS 86 2HZ LYS 86 2.669 6.659 13.493 620 HZ3 LYS 86 3HZ LYS 86 3.570 8.077 13.297 621 H TYR 87 H TYR 87 1.967 9.043 7.139 622 HA TYR 87 HA TYR 87 3.773 9.739 4.990 623 HB2 TYR 87 1HB TYR 87 1.333 9.619 4.091 624 HB3 TYR 87 2HB TYR 87 1.110 11.125 4.974 625 HD1 TYR 87 1HD TYR 87 3.322 9.545 2.422 626 HD2 TYR 87 2HD TYR 87 1.649 13.144 3.953 627 HE1 TYR 87 1HE TYR 87 4.275 10.787 0.525 628 HE2 TYR 87 2HE TYR 87 2.596 14.397 2.060 629 HH TYR 87 HH TYR 87 3.691 13.001 -0.704 630 H ALA 88 H ALA 88 5.175 10.858 6.198 631 HA ALA 88 HA ALA 88 6.055 12.539 7.456 632 HB1 ALA 88 1HB ALA 88 3.543 14.095 7.565 633 HB2 ALA 88 2HB ALA 88 5.184 14.611 7.175 634 HB3 ALA 88 3HB ALA 88 4.211 13.775 5.964 635 H ASP 89 H ASP 89 5.060 10.338 8.813 636 HA ASP 89 HA ASP 89 4.584 9.626 10.920 637 HB2 ASP 89 1HB ASP 89 5.275 12.499 11.371 638 HB3 ASP 89 2HB ASP 89 4.580 11.575 12.700 639 H GLU 90 H GLU 90 2.453 10.361 9.112 640 HA GLU 90 HA GLU 90 0.325 10.664 11.092 641 HB2 GLU 90 1HB GLU 90 0.526 12.311 8.565 642 HB3 GLU 90 2HB GLU 90 -0.897 12.230 9.595 643 HG2 GLU 90 1HG GLU 90 1.683 12.993 10.845 644 HG3 GLU 90 2HG GLU 90 0.880 14.169 9.806 645 H GLU 91 H GLU 91 -0.601 8.717 10.895 646 HA GLU 91 HA GLU 91 -0.665 7.114 8.619 647 HB2 GLU 91 1HB GLU 91 -2.115 7.180 11.201 648 HB3 GLU 91 2HB GLU 91 -2.873 6.260 9.909 649 HG2 GLU 91 1HG GLU 91 -1.178 4.714 9.824 650 HG3 GLU 91 2HG GLU 91 0.010 5.820 10.513 651 H ILE 92 H ILE 92 -1.528 7.616 6.720 652 HA ILE 92 HA ILE 92 -3.338 9.600 6.142 653 HB ILE 92 HB ILE 92 -3.792 8.457 4.029 654 HG12 ILE 92 1HG1 ILE 92 -2.182 6.143 5.115 655 HG13 ILE 92 2HG1 ILE 92 -3.942 6.161 5.072 656 HG21 ILE 92 1HG2 ILE 92 -1.016 8.657 5.080 657 HG22 ILE 92 2HG2 ILE 92 -1.267 7.963 3.480 658 HG23 ILE 92 3HG2 ILE 92 -1.820 9.601 3.826 659 HD11 ILE 92 1HD1 ILE 92 -3.141 6.827 2.489 660 HD12 ILE 92 2HD1 ILE 92 -2.068 5.522 2.996 661 HD13 ILE 92 3HD1 ILE 92 -3.815 5.294 3.044 662 HA PRO 93 HA PRO 93 -7.316 8.285 7.460 663 HB2 PRO 93 1HB PRO 93 -8.885 9.428 5.562 664 HB3 PRO 93 2HB PRO 93 -8.072 10.360 6.826 665 HG2 PRO 93 1HG PRO 93 -7.266 9.927 3.976 666 HG3 PRO 93 2HG PRO 93 -7.228 11.418 4.935 667 HD2 PRO 93 1HD PRO 93 -5.019 9.919 4.486 668 HD3 PRO 93 2HD PRO 93 -5.257 10.843 5.982 669 H ARG 94 H ARG 94 -5.812 6.978 4.854 670 HA ARG 94 HA ARG 94 -8.120 5.284 4.160 671 HB2 ARG 94 1HB ARG 94 -5.715 6.089 2.526 672 HB3 ARG 94 2HB ARG 94 -6.790 4.778 2.060 673 HG2 ARG 94 1HG ARG 94 -8.651 6.304 1.898 674 HG3 ARG 94 2HG ARG 94 -7.650 7.630 2.492 675 HD2 ARG 94 1HD ARG 94 -6.504 7.830 0.520 676 HD3 ARG 94 2HD ARG 94 -6.729 6.135 0.093 677 HE ARG 94 HE ARG 94 -8.681 6.694 -0.967 678 HH11 ARG 94 1HH1 ARG 94 -7.681 9.336 1.069 679 HH12 ARG 94 2HH1 ARG 94 -8.878 10.430 0.460 680 HH21 ARG 94 1HH2 ARG 94 -10.261 8.126 -1.778 681 HH22 ARG 94 2HH2 ARG 94 -10.345 9.741 -1.159 682 H SER 95 H SER 95 -5.400 5.321 5.975 683 HA SER 95 HA SER 95 -4.860 2.456 5.545 684 HB2 SER 95 1HB SER 95 -2.765 3.324 5.253 685 HB3 SER 95 2HB SER 95 -3.106 4.756 6.225 686 HG SER 95 HG SER 95 -2.476 3.734 7.976 687 HA PRO 96 HA PRO 96 -3.369 1.077 6.787 688 HB2 PRO 96 1HB PRO 96 -4.219 -1.361 7.626 689 HB3 PRO 96 2HB PRO 96 -3.095 -0.364 8.556 690 HG2 PRO 96 1HG PRO 96 -6.048 -0.711 8.900 691 HG3 PRO 96 2HG PRO 96 -4.777 -0.659 10.135 692 HD2 PRO 96 1HD PRO 96 -6.350 1.472 9.571 693 HD3 PRO 96 2HD PRO 96 -4.664 1.644 10.100 694 H PHE 97 H PHE 97 -3.782 -0.930 5.345 695 HA PHE 97 HA PHE 97 -6.389 -0.591 4.016 696 HB2 PHE 97 1HB PHE 97 -3.662 -1.138 2.845 697 HB3 PHE 97 2HB PHE 97 -5.152 -1.346 1.931 698 HD1 PHE 97 2HD PHE 97 -2.987 1.106 3.620 699 HD2 PHE 97 1HD PHE 97 -6.331 0.515 1.054 700 HE1 PHE 97 2HE PHE 97 -2.949 3.493 3.025 701 HE2 PHE 97 1HE PHE 97 -6.299 2.901 0.456 702 HZ PHE 97 HZ PHE 97 -4.607 4.394 1.443 703 H LYS 98 H LYS 98 -7.530 -2.387 3.422 704 HA LYS 98 HA LYS 98 -6.573 -4.927 4.532 705 HB2 LYS 98 1HB LYS 98 -9.333 -3.989 3.739 706 HB3 LYS 98 2HB LYS 98 -8.974 -5.631 4.258 707 HG2 LYS 98 1HG LYS 98 -8.456 -4.947 6.439 708 HG3 LYS 98 2HG LYS 98 -8.322 -3.253 5.965 709 HD2 LYS 98 1HD LYS 98 -10.670 -3.063 5.662 710 HD3 LYS 98 2HD LYS 98 -10.893 -4.809 5.782 711 HE2 LYS 98 1HE LYS 98 -9.750 -3.206 8.048 712 HE3 LYS 98 2HE LYS 98 -11.491 -3.373 7.822 713 HZ1 LYS 98 1HZ LYS 98 -9.522 -5.531 8.325 714 HZ2 LYS 98 2HZ LYS 98 -11.112 -5.830 7.836 715 HZ3 LYS 98 3HZ LYS 98 -10.812 -5.059 9.311 716 H VAL 99 H VAL 99 -5.559 -6.194 3.125 717 HA VAL 99 HA VAL 99 -6.648 -6.397 0.391 718 HB VAL 99 HB VAL 99 -3.764 -6.621 1.260 719 HG11 VAL 99 1HG1 VAL 99 -4.992 -7.980 -0.814 720 HG12 VAL 99 2HG1 VAL 99 -4.259 -6.579 -1.596 721 HG13 VAL 99 3HG1 VAL 99 -3.265 -7.676 -0.638 722 HG21 VAL 99 1HG2 VAL 99 -4.725 -4.718 -0.812 723 HG22 VAL 99 2HG2 VAL 99 -5.045 -4.338 0.880 724 HG23 VAL 99 3HG2 VAL 99 -3.386 -4.569 0.327 725 H LYS 100 H LYS 100 -7.814 -8.231 0.443 726 HA LYS 100 HA LYS 100 -6.935 -10.548 1.924 727 HB2 LYS 100 1HB LYS 100 -9.313 -10.027 1.810 728 HB3 LYS 100 2HB LYS 100 -9.278 -10.143 0.056 729 HG2 LYS 100 1HG LYS 100 -8.657 -12.530 0.271 730 HG3 LYS 100 2HG LYS 100 -8.840 -12.383 2.020 731 HD2 LYS 100 1HD LYS 100 -11.199 -11.585 1.576 732 HD3 LYS 100 2HD LYS 100 -10.961 -12.088 -0.098 733 HE2 LYS 100 1HE LYS 100 -11.900 -13.990 0.750 734 HE3 LYS 100 2HE LYS 100 -10.198 -14.337 1.049 735 HZ1 LYS 100 1HZ LYS 100 -12.090 -13.194 3.033 736 HZ2 LYS 100 2HZ LYS 100 -10.464 -13.568 3.316 737 HZ3 LYS 100 3HZ LYS 100 -11.572 -14.804 2.988 738 H VAL 101 H VAL 101 -5.198 -11.556 1.089 739 HA VAL 101 HA VAL 101 -4.694 -11.770 -1.713 740 HB VAL 101 HB VAL 101 -3.439 -13.342 0.542 741 HG11 VAL 101 1HG1 VAL 101 -2.511 -12.804 -2.277 742 HG12 VAL 101 2HG1 VAL 101 -1.562 -13.613 -1.028 743 HG13 VAL 101 3HG1 VAL 101 -3.047 -14.353 -1.627 744 HG21 VAL 101 1HG2 VAL 101 -2.164 -10.968 -0.738 745 HG22 VAL 101 2HG2 VAL 101 -3.366 -10.725 0.529 746 HG23 VAL 101 3HG2 VAL 101 -1.906 -11.655 0.866 747 H LEU 102 H LEU 102 -4.920 -13.512 -3.076 748 HA LEU 102 HA LEU 102 -6.643 -15.685 -2.083 749 HB2 LEU 102 1HB LEU 102 -6.411 -14.394 -4.787 750 HB3 LEU 102 2HB LEU 102 -7.215 -15.945 -4.548 751 HG LEU 102 HG LEU 102 -8.045 -13.362 -3.229 752 HD11 LEU 102 1HD1 LEU 102 -9.457 -14.774 -5.473 753 HD12 LEU 102 2HD1 LEU 102 -8.293 -13.479 -5.751 754 HD13 LEU 102 3HD1 LEU 102 -9.759 -13.161 -4.824 755 HD21 LEU 102 1HD2 LEU 102 -10.076 -15.361 -3.403 756 HD22 LEU 102 2HD2 LEU 102 -9.384 -14.603 -1.969 757 HD23 LEU 102 3HD2 LEU 102 -8.644 -16.055 -2.643 758 HA PRO 103 HA PRO 103 -3.585 -18.688 -3.029 759 HB2 PRO 103 1HB PRO 103 -5.114 -20.773 -3.857 760 HB3 PRO 103 2HB PRO 103 -5.024 -20.259 -2.168 761 HG2 PRO 103 1HG PRO 103 -7.117 -19.657 -4.222 762 HG3 PRO 103 2HG PRO 103 -7.318 -20.102 -2.517 763 HD2 PRO 103 1HD PRO 103 -7.504 -17.545 -3.387 764 HD3 PRO 103 2HD PRO 103 -6.883 -17.964 -1.778 765 H THR 104 H THR 104 -2.237 -18.687 -4.705 766 HA THR 104 HA THR 104 -2.583 -17.786 -7.214 767 HB THR 104 HB THR 104 -0.870 -20.138 -6.396 768 HG1 THR 104 1HG THR 104 -0.646 -17.738 -5.655 769 HG21 THR 104 1HG2 THR 104 -1.162 -20.254 -8.783 770 HG22 THR 104 2HG2 THR 104 0.442 -19.601 -8.449 771 HG23 THR 104 3HG2 THR 104 -0.862 -18.524 -8.947 772 H TYR 105 H TYR 105 -3.775 -20.795 -5.977 773 HA TYR 105 HA TYR 105 -4.519 -21.709 -8.657 774 HB2 TYR 105 1HB TYR 105 -5.024 -23.212 -6.099 775 HB3 TYR 105 2HB TYR 105 -4.868 -23.847 -7.733 776 HD1 TYR 105 2HD TYR 105 -2.451 -23.087 -8.816 777 HD2 TYR 105 1HD TYR 105 -3.286 -23.756 -4.699 778 HE1 TYR 105 2HE TYR 105 -0.069 -23.548 -8.414 779 HE2 TYR 105 1HE TYR 105 -0.906 -24.218 -4.284 780 HH TYR 105 HH TYR 105 1.086 -24.638 -5.266 781 H ASP 106 H ASP 106 -6.630 -22.029 -9.289 782 HA ASP 106 HA ASP 106 -8.846 -21.684 -7.519 783 HB2 ASP 106 1HB ASP 106 -7.884 -19.307 -8.098 784 HB3 ASP 106 2HB ASP 106 -8.723 -19.562 -9.626 785 H ALA 107 H ALA 107 -10.148 -23.211 -8.268 786 HA ALA 107 HA ALA 107 -10.325 -23.640 -11.170 787 HB1 ALA 107 1HB ALA 107 -11.481 -25.810 -10.393 788 HB2 ALA 107 2HB ALA 107 -9.732 -25.668 -10.206 789 HB3 ALA 107 3HB ALA 107 -10.790 -25.429 -8.815 790 H SER 108 H SER 108 -11.676 -21.434 -10.208 791 HA SER 108 HA SER 108 -14.450 -22.175 -9.783 792 HB2 SER 108 1HB SER 108 -14.856 -19.888 -9.330 793 HB3 SER 108 2HB SER 108 -13.263 -20.208 -8.646 794 HG SER 108 HG SER 108 -13.214 -18.301 -9.851 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -10.474 31.727 7.712 2 HA2 GLY 1 1HA GLY 1 -8.737 29.799 8.580 3 HA3 GLY 1 2HA GLY 1 -9.419 29.129 7.105 4 H SER 2 H SER 2 -6.810 29.439 7.030 5 HA SER 2 HA SER 2 -5.786 31.949 6.328 6 HB2 SER 2 1HB SER 2 -4.910 29.132 5.740 7 HB3 SER 2 2HB SER 2 -4.032 30.510 5.078 8 HG SER 2 HG SER 2 -4.230 31.169 7.508 9 H SER 3 H SER 3 -5.255 32.839 4.286 10 HA SER 3 HA SER 3 -7.134 32.048 2.171 11 HB2 SER 3 1HB SER 3 -6.847 34.322 1.293 12 HB3 SER 3 2HB SER 3 -7.337 34.366 2.986 13 HG SER 3 HG SER 3 -4.928 34.475 3.351 14 H GLY 4 H GLY 4 -4.863 30.480 2.436 15 HA2 GLY 4 1HA GLY 4 -3.633 29.521 0.620 16 HA3 GLY 4 2HA GLY 4 -3.489 31.124 -0.083 17 H SER 5 H SER 5 -1.750 28.770 1.302 18 HA SER 5 HA SER 5 0.282 30.670 2.236 19 HB2 SER 5 1HB SER 5 -0.714 28.228 3.702 20 HB3 SER 5 2HB SER 5 0.867 28.938 4.030 21 HG SER 5 HG SER 5 -1.659 30.209 4.271 22 H SER 6 H SER 6 2.438 29.431 2.570 23 HA SER 6 HA SER 6 2.758 27.489 0.376 24 HB2 SER 6 1HB SER 6 3.669 29.861 -0.026 25 HB3 SER 6 2HB SER 6 4.898 29.457 1.173 26 HG SER 6 HG SER 6 4.370 28.005 -1.210 27 H GLY 7 H GLY 7 3.712 25.624 0.898 28 HA2 GLY 7 1HA GLY 7 5.253 24.223 1.984 29 HA3 GLY 7 2HA GLY 7 5.560 25.502 3.150 30 H VAL 8 H VAL 8 2.802 23.498 2.096 31 HA VAL 8 HA VAL 8 2.251 22.955 4.939 32 HB VAL 8 HB VAL 8 0.600 24.554 4.003 33 HG11 VAL 8 1HG1 VAL 8 0.749 23.000 1.739 34 HG12 VAL 8 2HG1 VAL 8 -0.821 22.566 2.418 35 HG13 VAL 8 3HG1 VAL 8 -0.452 24.252 2.056 36 HG21 VAL 8 1HG2 VAL 8 -0.273 23.387 5.791 37 HG22 VAL 8 2HG2 VAL 8 -1.442 23.018 4.524 38 HG23 VAL 8 3HG2 VAL 8 -0.204 21.837 4.951 39 H VAL 9 H VAL 9 1.597 20.893 5.465 40 HA VAL 9 HA VAL 9 1.692 18.920 3.275 41 HB VAL 9 HB VAL 9 2.613 18.625 6.136 42 HG11 VAL 9 1HG1 VAL 9 1.882 16.504 5.851 43 HG12 VAL 9 2HG1 VAL 9 1.896 16.619 4.089 44 HG13 VAL 9 3HG1 VAL 9 3.400 16.341 4.968 45 HG21 VAL 9 1HG2 VAL 9 4.792 18.127 5.054 46 HG22 VAL 9 2HG2 VAL 9 4.076 18.555 3.499 47 HG23 VAL 9 3HG2 VAL 9 4.225 19.772 4.766 48 H ASP 10 H ASP 10 -0.001 17.596 3.035 49 HA ASP 10 HA ASP 10 -1.929 17.357 5.242 50 HB2 ASP 10 1HB ASP 10 -2.425 18.209 2.418 51 HB3 ASP 10 2HB ASP 10 -3.661 17.270 3.252 52 HA PRO 11 HA PRO 11 -0.857 13.120 4.017 53 HB2 PRO 11 1HB PRO 11 -1.578 12.031 6.397 54 HB3 PRO 11 2HB PRO 11 -0.012 12.806 6.131 55 HG2 PRO 11 1HG PRO 11 -2.476 13.911 7.422 56 HG3 PRO 11 2HG PRO 11 -0.784 14.062 7.929 57 HD2 PRO 11 1HD PRO 11 -2.093 16.036 6.618 58 HD3 PRO 11 2HD PRO 11 -0.350 15.751 6.423 59 H SER 12 H SER 12 -3.734 14.714 4.553 60 HA SER 12 HA SER 12 -5.375 12.296 4.291 61 HB2 SER 12 1HB SER 12 -6.306 15.135 4.768 62 HB3 SER 12 2HB SER 12 -7.263 13.663 4.922 63 HG SER 12 HG SER 12 -5.735 13.051 6.604 64 H LYS 13 H LYS 13 -3.725 13.916 2.210 65 HA LYS 13 HA LYS 13 -5.896 14.155 0.230 66 HB2 LYS 13 1HB LYS 13 -3.234 15.578 0.140 67 HB3 LYS 13 2HB LYS 13 -4.613 15.836 -0.920 68 HG2 LYS 13 1HG LYS 13 -5.000 16.245 1.995 69 HG3 LYS 13 2HG LYS 13 -4.078 17.452 1.094 70 HD2 LYS 13 1HD LYS 13 -6.201 18.294 0.870 71 HD3 LYS 13 2HD LYS 13 -6.106 17.282 -0.572 72 HE2 LYS 13 1HE LYS 13 -7.355 15.547 0.467 73 HE3 LYS 13 2HE LYS 13 -7.235 16.318 2.047 74 HZ1 LYS 13 1HZ LYS 13 -9.413 16.652 1.051 75 HZ2 LYS 13 2HZ LYS 13 -8.710 17.406 -0.289 76 HZ3 LYS 13 3HZ LYS 13 -8.606 18.128 1.237 77 H VAL 14 H VAL 14 -3.244 12.364 1.169 78 HA VAL 14 HA VAL 14 -2.330 11.639 -1.480 79 HB VAL 14 HB VAL 14 -0.614 11.618 0.132 80 HG11 VAL 14 1HG1 VAL 14 -2.533 10.060 1.843 81 HG12 VAL 14 2HG1 VAL 14 -0.807 10.148 2.195 82 HG13 VAL 14 3HG1 VAL 14 -1.780 11.618 2.180 83 HG21 VAL 14 1HG2 VAL 14 -0.839 9.596 -1.432 84 HG22 VAL 14 2HG2 VAL 14 0.274 9.465 -0.070 85 HG23 VAL 14 3HG2 VAL 14 -1.315 8.703 0.011 86 H LYS 15 H LYS 15 -2.963 9.931 -2.652 87 HA LYS 15 HA LYS 15 -4.714 7.938 -1.372 88 HB2 LYS 15 1HB LYS 15 -5.030 9.069 -4.158 89 HB3 LYS 15 2HB LYS 15 -6.046 7.836 -3.421 90 HG2 LYS 15 1HG LYS 15 -6.935 9.383 -1.856 91 HG3 LYS 15 2HG LYS 15 -5.745 10.610 -2.300 92 HD2 LYS 15 1HD LYS 15 -7.691 9.503 -4.303 93 HD3 LYS 15 2HD LYS 15 -8.119 10.846 -3.242 94 HE2 LYS 15 1HE LYS 15 -6.547 12.265 -4.199 95 HE3 LYS 15 2HE LYS 15 -5.600 10.932 -4.856 96 HZ1 LYS 15 1HZ LYS 15 -7.230 10.546 -6.515 97 HZ2 LYS 15 2HZ LYS 15 -6.914 12.208 -6.523 98 HZ3 LYS 15 3HZ LYS 15 -8.326 11.619 -5.801 99 H ILE 16 H ILE 16 -4.919 5.924 -2.785 100 HA ILE 16 HA ILE 16 -2.531 5.362 -4.363 101 HB ILE 16 HB ILE 16 -2.025 3.307 -3.145 102 HG12 ILE 16 1HG1 ILE 16 -4.107 4.255 -1.164 103 HG13 ILE 16 2HG1 ILE 16 -4.288 2.886 -2.255 104 HG21 ILE 16 1HG2 ILE 16 -0.698 5.135 -2.497 105 HG22 ILE 16 2HG2 ILE 16 -2.012 5.869 -1.579 106 HG23 ILE 16 3HG2 ILE 16 -1.236 4.400 -0.987 107 HD11 ILE 16 1HD1 ILE 16 -3.673 1.805 -0.353 108 HD12 ILE 16 2HD1 ILE 16 -2.082 2.090 -1.057 109 HD13 ILE 16 3HD1 ILE 16 -2.681 3.145 0.222 110 H ALA 17 H ALA 17 -2.929 4.030 -6.032 111 HA ALA 17 HA ALA 17 -5.290 2.302 -5.964 112 HB1 ALA 17 1HB ALA 17 -6.124 3.081 -8.073 113 HB2 ALA 17 2HB ALA 17 -5.956 4.466 -6.993 114 HB3 ALA 17 3HB ALA 17 -4.760 4.183 -8.257 115 H GLY 18 H GLY 18 -5.165 0.487 -7.287 116 HA2 GLY 18 1HA GLY 18 -3.554 -0.102 -9.382 117 HA3 GLY 18 2HA GLY 18 -2.478 -0.293 -8.005 118 HA PRO 19 HA PRO 19 -5.011 -4.199 -8.852 119 HB2 PRO 19 1HB PRO 19 -2.953 -5.772 -9.667 120 HB3 PRO 19 2HB PRO 19 -3.916 -4.795 -10.783 121 HG2 PRO 19 1HG PRO 19 -1.230 -4.218 -9.593 122 HG3 PRO 19 2HG PRO 19 -1.792 -3.977 -11.258 123 HD2 PRO 19 1HD PRO 19 -1.638 -1.954 -9.466 124 HD3 PRO 19 2HD PRO 19 -2.870 -2.006 -10.743 125 H GLY 20 H GLY 20 -1.824 -3.636 -7.429 126 HA2 GLY 20 1HA GLY 20 -1.623 -5.920 -5.840 127 HA3 GLY 20 2HA GLY 20 -0.885 -4.369 -5.468 128 H LEU 21 H LEU 21 -3.199 -2.824 -5.142 129 HA LEU 21 HA LEU 21 -3.955 -3.651 -2.487 130 HB2 LEU 21 1HB LEU 21 -4.897 -1.283 -4.096 131 HB3 LEU 21 2HB LEU 21 -5.109 -1.522 -2.363 132 HG LEU 21 HG LEU 21 -2.348 -1.422 -3.498 133 HD11 LEU 21 1HD1 LEU 21 -4.153 0.616 -3.998 134 HD12 LEU 21 2HD1 LEU 21 -2.394 0.738 -4.023 135 HD13 LEU 21 3HD1 LEU 21 -3.286 1.152 -2.560 136 HD21 LEU 21 1HD2 LEU 21 -1.867 -0.459 -1.298 137 HD22 LEU 21 2HD2 LEU 21 -2.661 -2.029 -1.161 138 HD23 LEU 21 3HD2 LEU 21 -3.580 -0.549 -0.885 139 H GLY 22 H GLY 22 -5.331 -3.745 -5.667 140 HA2 GLY 22 1HA GLY 22 -8.046 -3.833 -5.184 141 HA3 GLY 22 2HA GLY 22 -7.243 -4.755 -6.447 142 H SER 23 H SER 23 -9.374 -5.947 -5.547 143 HA SER 23 HA SER 23 -8.732 -7.668 -3.291 144 HB2 SER 23 1HB SER 23 -11.030 -6.695 -3.627 145 HB3 SER 23 2HB SER 23 -11.197 -7.731 -5.045 146 HG SER 23 HG SER 23 -12.005 -8.509 -2.892 147 H GLY 24 H GLY 24 -8.446 -7.687 -6.682 148 HA2 GLY 24 1HA GLY 24 -8.560 -10.575 -6.954 149 HA3 GLY 24 2HA GLY 24 -8.199 -9.420 -8.227 150 H VAL 25 H VAL 25 -6.668 -10.004 -5.069 151 HA VAL 25 HA VAL 25 -4.080 -10.154 -6.441 152 HB VAL 25 HB VAL 25 -4.681 -9.819 -3.498 153 HG11 VAL 25 1HG1 VAL 25 -2.068 -9.680 -4.999 154 HG12 VAL 25 2HG1 VAL 25 -2.292 -9.293 -3.293 155 HG13 VAL 25 3HG1 VAL 25 -2.555 -10.941 -3.867 156 HG21 VAL 25 1HG2 VAL 25 -3.599 -7.775 -5.428 157 HG22 VAL 25 2HG2 VAL 25 -5.305 -7.902 -4.997 158 HG23 VAL 25 3HG2 VAL 25 -4.108 -7.522 -3.758 159 H ARG 26 H ARG 26 -2.724 -11.895 -6.265 160 HA ARG 26 HA ARG 26 -3.836 -14.279 -4.938 161 HB2 ARG 26 1HB ARG 26 -2.199 -14.080 -7.470 162 HB3 ARG 26 2HB ARG 26 -2.577 -15.595 -6.660 163 HG2 ARG 26 1HG ARG 26 -4.994 -15.071 -6.955 164 HG3 ARG 26 2HG ARG 26 -4.516 -13.676 -7.925 165 HD2 ARG 26 1HD ARG 26 -3.426 -15.108 -9.529 166 HD3 ARG 26 2HD ARG 26 -3.729 -16.524 -8.524 167 HE ARG 26 HE ARG 26 -6.210 -15.648 -8.956 168 HH11 ARG 26 1HH1 ARG 26 -3.537 -16.110 -11.138 169 HH12 ARG 26 2HH1 ARG 26 -4.543 -16.469 -12.501 170 HH21 ARG 26 1HH2 ARG 26 -7.545 -16.120 -10.744 171 HH22 ARG 26 2HH2 ARG 26 -6.823 -16.473 -12.277 172 H ALA 27 H ALA 27 -2.364 -15.728 -3.950 173 HA ALA 27 HA ALA 27 -0.186 -14.444 -2.635 174 HB1 ALA 27 1HB ALA 27 -1.560 -16.163 -1.547 175 HB2 ALA 27 2HB ALA 27 -0.925 -17.368 -2.668 176 HB3 ALA 27 3HB ALA 27 0.154 -16.575 -1.522 177 H ARG 28 H ARG 28 2.036 -15.021 -2.706 178 HA ARG 28 HA ARG 28 4.006 -15.357 -3.793 179 HB2 ARG 28 1HB ARG 28 2.501 -17.690 -4.995 180 HB3 ARG 28 2HB ARG 28 4.248 -17.490 -4.990 181 HG2 ARG 28 1HG ARG 28 3.878 -17.331 -2.385 182 HG3 ARG 28 2HG ARG 28 2.414 -18.234 -2.778 183 HD2 ARG 28 1HD ARG 28 3.616 -20.045 -3.624 184 HD3 ARG 28 2HD ARG 28 5.085 -19.093 -3.831 185 HE ARG 28 HE ARG 28 4.452 -19.172 -1.106 186 HH11 ARG 28 1HH1 ARG 28 5.508 -21.295 -3.654 187 HH12 ARG 28 2HH1 ARG 28 6.359 -22.364 -2.588 188 HH21 ARG 28 1HH2 ARG 28 5.569 -20.572 0.308 189 HH22 ARG 28 2HH2 ARG 28 6.393 -21.953 -0.335 190 H VAL 29 H VAL 29 2.311 -13.472 -4.982 191 HA VAL 29 HA VAL 29 3.153 -13.716 -7.786 192 HB VAL 29 HB VAL 29 0.421 -12.895 -6.811 193 HG11 VAL 29 1HG1 VAL 29 1.226 -11.245 -8.435 194 HG12 VAL 29 2HG1 VAL 29 1.568 -12.544 -9.580 195 HG13 VAL 29 3HG1 VAL 29 -0.094 -12.212 -9.090 196 HG21 VAL 29 1HG2 VAL 29 -0.401 -14.672 -8.103 197 HG22 VAL 29 2HG2 VAL 29 1.111 -14.839 -8.996 198 HG23 VAL 29 3HG2 VAL 29 1.028 -15.328 -7.303 199 H LEU 30 H LEU 30 3.780 -11.814 -8.773 200 HA LEU 30 HA LEU 30 4.748 -9.758 -7.090 201 HB2 LEU 30 1HB LEU 30 5.728 -10.447 -9.279 202 HB3 LEU 30 2HB LEU 30 4.370 -9.660 -10.078 203 HG LEU 30 HG LEU 30 5.162 -7.535 -8.847 204 HD11 LEU 30 1HD1 LEU 30 7.546 -7.473 -8.355 205 HD12 LEU 30 2HD1 LEU 30 7.677 -9.193 -8.718 206 HD13 LEU 30 3HD1 LEU 30 6.723 -8.654 -7.336 207 HD21 LEU 30 1HD2 LEU 30 7.253 -7.823 -10.712 208 HD22 LEU 30 2HD2 LEU 30 5.688 -7.044 -10.945 209 HD23 LEU 30 3HD2 LEU 30 5.888 -8.755 -11.327 210 H GLN 31 H GLN 31 3.573 -8.243 -6.137 211 HA GLN 31 HA GLN 31 1.259 -7.140 -7.590 212 HB2 GLN 31 1HB GLN 31 1.560 -7.360 -4.591 213 HB3 GLN 31 2HB GLN 31 0.149 -6.781 -5.465 214 HG2 GLN 31 1HG GLN 31 1.243 -9.579 -5.632 215 HG3 GLN 31 2HG GLN 31 -0.100 -9.077 -4.608 216 HE21 GLN 31 1HE2 GLN 31 -0.583 -11.055 -6.311 217 HE22 GLN 31 2HE2 GLN 31 -1.550 -10.522 -7.640 218 H SER 32 H SER 32 1.327 -5.034 -8.014 219 HA SER 32 HA SER 32 2.902 -3.261 -6.302 220 HB2 SER 32 1HB SER 32 4.451 -3.828 -8.073 221 HB3 SER 32 2HB SER 32 3.233 -3.487 -9.302 222 HG SER 32 HG SER 32 3.845 -1.449 -7.506 223 H PHE 33 H PHE 33 2.264 -1.081 -6.360 224 HA PHE 33 HA PHE 33 -0.073 -0.405 -7.980 225 HB2 PHE 33 1HB PHE 33 -1.159 0.599 -5.927 226 HB3 PHE 33 2HB PHE 33 -1.126 -1.161 -5.979 227 HD1 PHE 33 1HD PHE 33 0.924 -2.271 -4.785 228 HD2 PHE 33 2HD PHE 33 -0.479 1.672 -4.010 229 HE1 PHE 33 1HE PHE 33 2.022 -2.318 -2.584 230 HE2 PHE 33 2HE PHE 33 0.616 1.632 -1.809 231 HZ PHE 33 HZ PHE 33 1.869 -0.363 -1.092 232 H THR 34 H THR 34 -0.683 2.009 -7.432 233 HA THR 34 HA THR 34 1.842 3.529 -7.409 234 HB THR 34 HB THR 34 -0.750 4.254 -8.790 235 HG1 THR 34 1HG THR 34 0.061 3.229 -10.448 236 HG21 THR 34 1HG2 THR 34 1.946 5.601 -8.960 237 HG22 THR 34 2HG2 THR 34 0.606 6.183 -7.971 238 HG23 THR 34 3HG2 THR 34 0.444 6.119 -9.726 239 H VAL 35 H VAL 35 2.059 5.238 -6.058 240 HA VAL 35 HA VAL 35 -0.233 5.853 -4.309 241 HB VAL 35 HB VAL 35 2.698 6.117 -3.625 242 HG11 VAL 35 1HG1 VAL 35 0.815 5.992 -1.429 243 HG12 VAL 35 2HG1 VAL 35 2.078 7.177 -1.766 244 HG13 VAL 35 3HG1 VAL 35 0.484 7.353 -2.501 245 HG21 VAL 35 1HG2 VAL 35 0.768 3.890 -3.311 246 HG22 VAL 35 2HG2 VAL 35 2.513 3.850 -3.562 247 HG23 VAL 35 3HG2 VAL 35 1.859 4.214 -1.965 248 H ASP 36 H ASP 36 -1.110 7.686 -5.062 249 HA ASP 36 HA ASP 36 0.563 9.807 -6.129 250 HB2 ASP 36 1HB ASP 36 -1.638 9.128 -7.166 251 HB3 ASP 36 2HB ASP 36 -2.435 9.823 -5.758 252 H SER 37 H SER 37 1.650 10.791 -4.497 253 HA SER 37 HA SER 37 0.043 11.894 -2.286 254 HB2 SER 37 1HB SER 37 2.087 11.902 -0.942 255 HB3 SER 37 2HB SER 37 1.767 10.280 -1.556 256 HG SER 37 HG SER 37 3.836 12.020 -2.132 257 H SER 38 H SER 38 0.410 13.068 -4.934 258 HA SER 38 HA SER 38 2.294 15.217 -4.688 259 HB2 SER 38 1HB SER 38 1.307 16.032 -6.789 260 HB3 SER 38 2HB SER 38 1.679 14.311 -6.890 261 HG SER 38 HG SER 38 -0.403 14.787 -7.711 262 H LYS 39 H LYS 39 -1.140 14.784 -4.127 263 HA LYS 39 HA LYS 39 -1.681 17.576 -3.740 264 HB2 LYS 39 1HB LYS 39 -3.277 15.098 -3.073 265 HB3 LYS 39 2HB LYS 39 -3.870 16.738 -2.845 266 HG2 LYS 39 1HG LYS 39 -2.897 15.822 -5.521 267 HG3 LYS 39 2HG LYS 39 -4.534 15.456 -4.973 268 HD2 LYS 39 1HD LYS 39 -4.832 17.914 -4.546 269 HD3 LYS 39 2HD LYS 39 -3.283 18.173 -5.351 270 HE2 LYS 39 1HE LYS 39 -4.131 17.247 -7.398 271 HE3 LYS 39 2HE LYS 39 -5.635 16.769 -6.610 272 HZ1 LYS 39 1HZ LYS 39 -4.698 19.556 -7.034 273 HZ2 LYS 39 2HZ LYS 39 -6.124 19.117 -6.237 274 HZ3 LYS 39 3HZ LYS 39 -5.940 18.783 -7.885 275 H ALA 40 H ALA 40 -0.480 15.008 -1.793 276 HA ALA 40 HA ALA 40 -1.232 16.096 0.745 277 HB1 ALA 40 1HB ALA 40 -0.850 13.845 0.921 278 HB2 ALA 40 2HB ALA 40 0.529 13.881 -0.178 279 HB3 ALA 40 3HB ALA 40 0.703 14.474 1.473 280 H GLY 41 H GLY 41 1.686 16.195 -1.262 281 HA2 GLY 41 1HA GLY 41 2.712 18.551 -0.999 282 HA3 GLY 41 2HA GLY 41 2.912 18.043 0.672 283 H LEU 42 H LEU 42 5.144 18.140 0.654 284 HA LEU 42 HA LEU 42 6.523 16.316 -1.195 285 HB2 LEU 42 1HB LEU 42 8.077 18.180 0.490 286 HB3 LEU 42 2HB LEU 42 8.328 17.686 -1.183 287 HG LEU 42 HG LEU 42 7.859 19.991 -1.251 288 HD11 LEU 42 1HD1 LEU 42 5.695 18.169 -2.101 289 HD12 LEU 42 2HD1 LEU 42 6.684 19.282 -3.046 290 HD13 LEU 42 3HD1 LEU 42 5.327 19.894 -2.103 291 HD21 LEU 42 1HD2 LEU 42 6.665 21.079 0.278 292 HD22 LEU 42 2HD2 LEU 42 6.479 19.539 1.118 293 HD23 LEU 42 3HD2 LEU 42 5.245 20.078 -0.022 294 H ALA 43 H ALA 43 5.117 15.841 1.502 295 HA ALA 43 HA ALA 43 7.204 15.032 3.289 296 HB1 ALA 43 1HB ALA 43 4.265 15.015 3.279 297 HB2 ALA 43 2HB ALA 43 5.021 13.712 4.197 298 HB3 ALA 43 3HB ALA 43 5.397 15.392 4.578 299 HA PRO 44 HA PRO 44 8.109 11.015 1.757 300 HB2 PRO 44 1HB PRO 44 8.729 9.729 4.066 301 HB3 PRO 44 2HB PRO 44 9.786 10.937 3.325 302 HG2 PRO 44 1HG PRO 44 7.857 11.244 5.594 303 HG3 PRO 44 2HG PRO 44 9.503 11.882 5.431 304 HD2 PRO 44 1HD PRO 44 7.303 13.398 4.993 305 HD3 PRO 44 2HD PRO 44 8.824 13.645 4.111 306 H LEU 45 H LEU 45 7.506 8.709 1.970 307 HA LEU 45 HA LEU 45 4.828 8.357 3.142 308 HB2 LEU 45 1HB LEU 45 4.507 8.543 0.796 309 HB3 LEU 45 2HB LEU 45 5.857 7.460 0.461 310 HG LEU 45 HG LEU 45 4.334 5.740 1.778 311 HD11 LEU 45 1HD1 LEU 45 2.512 7.042 2.402 312 HD12 LEU 45 2HD1 LEU 45 1.942 6.199 0.963 313 HD13 LEU 45 3HD1 LEU 45 2.456 7.881 0.852 314 HD21 LEU 45 1HD2 LEU 45 3.364 5.080 -0.421 315 HD22 LEU 45 2HD2 LEU 45 5.105 5.361 -0.456 316 HD23 LEU 45 3HD2 LEU 45 4.001 6.579 -1.097 317 H GLU 46 H GLU 46 4.435 6.461 4.195 318 HA GLU 46 HA GLU 46 6.686 4.565 4.362 319 HB2 GLU 46 1HB GLU 46 4.879 5.701 6.450 320 HB3 GLU 46 2HB GLU 46 5.465 4.056 6.658 321 HG2 GLU 46 1HG GLU 46 6.907 5.570 7.830 322 HG3 GLU 46 2HG GLU 46 7.776 4.883 6.458 323 H VAL 47 H VAL 47 6.236 2.362 4.419 324 HA VAL 47 HA VAL 47 3.452 1.537 4.019 325 HB VAL 47 HB VAL 47 5.717 0.692 2.207 326 HG11 VAL 47 1HG1 VAL 47 4.294 -0.797 1.178 327 HG12 VAL 47 2HG1 VAL 47 3.782 -0.943 2.861 328 HG13 VAL 47 3HG1 VAL 47 2.844 0.038 1.734 329 HG21 VAL 47 1HG2 VAL 47 4.820 2.019 0.530 330 HG22 VAL 47 2HG2 VAL 47 3.253 2.148 1.330 331 HG23 VAL 47 3HG2 VAL 47 4.641 3.036 1.959 332 H ARG 48 H ARG 48 2.939 -0.325 5.017 333 HA ARG 48 HA ARG 48 5.075 -2.145 5.846 334 HB2 ARG 48 1HB ARG 48 3.169 -0.703 7.659 335 HB3 ARG 48 2HB ARG 48 3.780 -2.291 8.103 336 HG2 ARG 48 1HG ARG 48 5.685 -0.132 7.315 337 HG3 ARG 48 2HG ARG 48 4.993 -0.159 8.939 338 HD2 ARG 48 1HD ARG 48 5.744 -2.696 8.813 339 HD3 ARG 48 2HD ARG 48 6.890 -2.044 7.642 340 HE ARG 48 HE ARG 48 8.005 -0.995 9.355 341 HH11 ARG 48 1HH1 ARG 48 4.934 -2.166 10.502 342 HH12 ARG 48 2HH1 ARG 48 5.288 -1.850 12.169 343 HH21 ARG 48 1HH2 ARG 48 8.484 -0.574 11.545 344 HH22 ARG 48 2HH2 ARG 48 7.308 -0.943 12.761 345 H VAL 49 H VAL 49 4.485 -4.274 5.940 346 HA VAL 49 HA VAL 49 1.671 -4.893 5.310 347 HB VAL 49 HB VAL 49 4.136 -6.286 4.254 348 HG11 VAL 49 1HG1 VAL 49 2.453 -7.593 2.915 349 HG12 VAL 49 2HG1 VAL 49 2.494 -7.959 4.640 350 HG13 VAL 49 3HG1 VAL 49 1.210 -6.943 3.984 351 HG21 VAL 49 1HG2 VAL 49 3.930 -5.090 2.377 352 HG22 VAL 49 2HG2 VAL 49 2.176 -5.278 2.347 353 HG23 VAL 49 3HG2 VAL 49 2.910 -4.005 3.323 354 H LEU 50 H LEU 50 0.695 -6.244 6.670 355 HA LEU 50 HA LEU 50 2.367 -7.967 8.378 356 HB2 LEU 50 1HB LEU 50 -0.002 -6.272 9.097 357 HB3 LEU 50 2HB LEU 50 0.468 -7.660 10.076 358 HG LEU 50 HG LEU 50 1.303 -5.584 11.032 359 HD11 LEU 50 1HD1 LEU 50 2.604 -7.656 11.290 360 HD12 LEU 50 2HD1 LEU 50 3.622 -6.216 11.292 361 HD13 LEU 50 3HD1 LEU 50 3.535 -7.233 9.853 362 HD21 LEU 50 1HD2 LEU 50 1.545 -4.617 8.578 363 HD22 LEU 50 2HD2 LEU 50 3.205 -5.176 8.788 364 HD23 LEU 50 3HD2 LEU 50 2.517 -4.010 9.918 365 H GLY 51 H GLY 51 1.921 -10.063 8.209 366 HA2 GLY 51 1HA GLY 51 -0.187 -11.010 6.550 367 HA3 GLY 51 2HA GLY 51 0.886 -12.001 7.529 368 HA PRO 52 HA PRO 52 -3.526 -11.797 9.272 369 HB2 PRO 52 1HB PRO 52 -4.293 -14.323 8.638 370 HB3 PRO 52 2HB PRO 52 -4.561 -12.941 7.569 371 HG2 PRO 52 1HG PRO 52 -2.406 -15.016 7.477 372 HG3 PRO 52 2HG PRO 52 -3.351 -14.325 6.146 373 HD2 PRO 52 1HD PRO 52 -0.829 -13.520 6.712 374 HD3 PRO 52 2HD PRO 52 -2.054 -12.422 6.045 375 H ARG 53 H ARG 53 -1.405 -14.663 9.126 376 HA ARG 53 HA ARG 53 -2.105 -15.560 11.738 377 HB2 ARG 53 1HB ARG 53 0.316 -16.284 10.078 378 HB3 ARG 53 2HB ARG 53 -0.310 -17.182 11.454 379 HG2 ARG 53 1HG ARG 53 -1.357 -18.417 9.919 380 HG3 ARG 53 2HG ARG 53 -2.494 -17.069 9.829 381 HD2 ARG 53 1HD ARG 53 -0.853 -16.107 8.082 382 HD3 ARG 53 2HD ARG 53 -0.219 -17.750 8.001 383 HE ARG 53 HE ARG 53 -2.691 -16.801 6.913 384 HH11 ARG 53 1HH1 ARG 53 -1.038 -19.588 8.186 385 HH12 ARG 53 2HH1 ARG 53 -2.024 -20.727 7.330 386 HH21 ARG 53 1HH2 ARG 53 -3.996 -18.290 5.781 387 HH22 ARG 53 2HH2 ARG 53 -3.706 -19.987 5.962 388 H GLY 54 H GLY 54 0.550 -13.654 10.406 389 HA2 GLY 54 1HA GLY 54 1.188 -11.924 12.231 390 HA3 GLY 54 2HA GLY 54 1.687 -13.366 13.101 391 H LEU 55 H LEU 55 2.027 -12.874 9.635 392 HA LEU 55 HA LEU 55 4.910 -13.234 9.922 393 HB2 LEU 55 1HB LEU 55 3.956 -14.691 8.332 394 HB3 LEU 55 2HB LEU 55 3.020 -13.393 7.593 395 HG LEU 55 HG LEU 55 5.380 -12.436 6.988 396 HD11 LEU 55 1HD1 LEU 55 6.492 -14.258 8.364 397 HD12 LEU 55 2HD1 LEU 55 7.113 -14.000 6.734 398 HD13 LEU 55 3HD1 LEU 55 6.045 -15.364 7.064 399 HD21 LEU 55 1HD2 LEU 55 5.028 -13.191 4.868 400 HD22 LEU 55 2HD2 LEU 55 3.459 -13.583 5.571 401 HD23 LEU 55 3HD2 LEU 55 4.685 -14.839 5.390 402 H VAL 56 H VAL 56 6.429 -11.835 8.981 403 HA VAL 56 HA VAL 56 5.405 -9.123 8.438 404 HB VAL 56 HB VAL 56 8.061 -9.918 9.642 405 HG11 VAL 56 1HG1 VAL 56 8.180 -7.932 8.165 406 HG12 VAL 56 2HG1 VAL 56 6.951 -7.155 9.164 407 HG13 VAL 56 3HG1 VAL 56 8.522 -7.565 9.854 408 HG21 VAL 56 1HG2 VAL 56 5.823 -9.979 10.998 409 HG22 VAL 56 2HG2 VAL 56 7.269 -9.257 11.701 410 HG23 VAL 56 3HG2 VAL 56 6.017 -8.227 11.009 411 H GLU 57 H GLU 57 5.577 -8.568 6.376 412 HA GLU 57 HA GLU 57 7.837 -9.631 4.814 413 HB2 GLU 57 1HB GLU 57 5.085 -8.817 3.861 414 HB3 GLU 57 2HB GLU 57 6.402 -9.335 2.816 415 HG2 GLU 57 1HG GLU 57 5.405 -11.092 5.023 416 HG3 GLU 57 2HG GLU 57 4.589 -11.035 3.461 417 HA PRO 58 HA PRO 58 9.242 -5.478 4.364 418 HB2 PRO 58 1HB PRO 58 10.847 -5.835 2.203 419 HB3 PRO 58 2HB PRO 58 11.279 -6.394 3.823 420 HG2 PRO 58 1HG PRO 58 10.124 -7.937 1.532 421 HG3 PRO 58 2HG PRO 58 11.420 -8.398 2.651 422 HD2 PRO 58 1HD PRO 58 8.879 -9.295 2.916 423 HD3 PRO 58 2HD PRO 58 9.941 -9.011 4.310 424 H VAL 59 H VAL 59 9.515 -3.815 2.559 425 HA VAL 59 HA VAL 59 7.551 -4.147 0.410 426 HB VAL 59 HB VAL 59 6.705 -1.819 0.864 427 HG11 VAL 59 1HG1 VAL 59 5.401 -3.812 1.413 428 HG12 VAL 59 2HG1 VAL 59 6.179 -3.888 2.995 429 HG13 VAL 59 3HG1 VAL 59 5.133 -2.527 2.591 430 HG21 VAL 59 1HG2 VAL 59 7.584 -2.105 3.688 431 HG22 VAL 59 2HG2 VAL 59 8.752 -1.502 2.513 432 HG23 VAL 59 3HG2 VAL 59 7.226 -0.651 2.756 433 H ASN 60 H ASN 60 7.717 -2.436 -1.244 434 HA ASN 60 HA ASN 60 10.466 -1.385 -1.416 435 HB2 ASN 60 1HB ASN 60 10.076 -3.180 -3.036 436 HB3 ASN 60 2HB ASN 60 8.667 -2.329 -3.660 437 HD21 ASN 60 1HD2 ASN 60 8.955 -1.026 -5.325 438 HD22 ASN 60 2HD2 ASN 60 10.474 -0.424 -5.885 439 H VAL 61 H VAL 61 10.760 0.716 -1.983 440 HA VAL 61 HA VAL 61 8.379 2.296 -2.683 441 HB VAL 61 HB VAL 61 8.629 2.835 -0.413 442 HG11 VAL 61 1HG1 VAL 61 10.834 3.463 0.577 443 HG12 VAL 61 2HG1 VAL 61 10.720 1.777 0.072 444 HG13 VAL 61 3HG1 VAL 61 11.598 2.939 -0.923 445 HG21 VAL 61 1HG2 VAL 61 9.018 4.746 -2.340 446 HG22 VAL 61 2HG2 VAL 61 8.673 5.062 -0.639 447 HG23 VAL 61 3HG2 VAL 61 10.340 5.061 -1.215 448 H VAL 62 H VAL 62 8.678 3.313 -4.543 449 HA VAL 62 HA VAL 62 11.317 4.431 -5.160 450 HB VAL 62 HB VAL 62 9.695 2.734 -7.061 451 HG11 VAL 62 1HG1 VAL 62 12.320 4.089 -7.632 452 HG12 VAL 62 2HG1 VAL 62 11.257 3.252 -8.765 453 HG13 VAL 62 3HG1 VAL 62 10.761 4.792 -8.061 454 HG21 VAL 62 1HG2 VAL 62 11.306 1.757 -5.222 455 HG22 VAL 62 2HG2 VAL 62 11.284 1.094 -6.857 456 HG23 VAL 62 3HG2 VAL 62 12.550 2.228 -6.382 457 H ASP 63 H ASP 63 11.177 6.481 -5.785 458 HA ASP 63 HA ASP 63 8.601 7.694 -6.202 459 HB2 ASP 63 1HB ASP 63 10.259 8.924 -4.946 460 HB3 ASP 63 2HB ASP 63 11.401 8.828 -6.283 461 H ASN 64 H ASN 64 7.670 8.278 -8.075 462 HA ASN 64 HA ASN 64 8.753 7.279 -10.530 463 HB2 ASN 64 1HB ASN 64 6.274 8.859 -9.854 464 HB3 ASN 64 2HB ASN 64 6.692 8.429 -11.509 465 HD21 ASN 64 1HD2 ASN 64 6.143 7.042 -8.308 466 HD22 ASN 64 2HD2 ASN 64 5.490 5.546 -8.874 467 H GLY 65 H GLY 65 8.118 10.522 -9.217 468 HA2 GLY 65 1HA GLY 65 9.872 12.205 -9.632 469 HA3 GLY 65 2HA GLY 65 9.954 11.587 -11.274 470 H ASP 66 H ASP 66 6.940 11.336 -11.253 471 HA ASP 66 HA ASP 66 6.435 14.053 -12.155 472 HB2 ASP 66 1HB ASP 66 4.885 11.475 -12.382 473 HB3 ASP 66 2HB ASP 66 4.221 13.023 -12.893 474 H GLY 67 H GLY 67 5.135 11.747 -9.792 475 HA2 GLY 67 1HA GLY 67 4.613 13.455 -7.746 476 HA3 GLY 67 2HA GLY 67 3.208 13.641 -8.784 477 H THR 68 H THR 68 4.986 10.642 -8.354 478 HA THR 68 HA THR 68 2.989 9.587 -6.529 479 HB THR 68 HB THR 68 2.386 7.690 -7.931 480 HG1 THR 68 1HG THR 68 4.504 8.092 -9.224 481 HG21 THR 68 1HG2 THR 68 0.909 8.791 -9.428 482 HG22 THR 68 2HG2 THR 68 1.974 10.191 -9.560 483 HG23 THR 68 3HG2 THR 68 1.113 9.876 -8.053 484 H HIS 69 H HIS 69 3.494 7.092 -6.251 485 HA HIS 69 HA HIS 69 6.351 6.546 -6.436 486 HB2 HIS 69 1HB HIS 69 4.890 6.402 -3.793 487 HB3 HIS 69 2HB HIS 69 6.592 6.044 -4.079 488 HD1 HIS 69 1HD HIS 69 8.100 7.887 -3.450 489 HD2 HIS 69 2HD HIS 69 4.343 9.285 -4.540 490 HE1 HIS 69 1HE HIS 69 8.188 10.379 -3.118 491 HE2 HIS 69 2HE HIS 69 5.877 11.192 -3.703 492 H THR 70 H THR 70 6.679 4.504 -7.021 493 HA THR 70 HA THR 70 4.439 2.665 -7.075 494 HB THR 70 HB THR 70 7.253 2.450 -8.150 495 HG1 THR 70 1HG THR 70 6.239 2.744 -10.113 496 HG21 THR 70 1HG2 THR 70 4.997 0.481 -8.531 497 HG22 THR 70 2HG2 THR 70 6.346 0.241 -7.420 498 HG23 THR 70 3HG2 THR 70 6.641 0.355 -9.154 499 H VAL 71 H VAL 71 4.291 0.735 -5.987 500 HA VAL 71 HA VAL 71 6.407 0.118 -4.039 501 HB VAL 71 HB VAL 71 3.440 0.115 -3.459 502 HG11 VAL 71 1HG1 VAL 71 5.243 -0.229 -1.208 503 HG12 VAL 71 2HG1 VAL 71 3.812 -1.156 -1.663 504 HG13 VAL 71 3HG1 VAL 71 5.377 -1.536 -2.384 505 HG21 VAL 71 1HG2 VAL 71 4.209 1.782 -1.681 506 HG22 VAL 71 2HG2 VAL 71 5.694 1.917 -2.622 507 HG23 VAL 71 3HG2 VAL 71 4.147 2.349 -3.350 508 H THR 72 H THR 72 7.190 -1.773 -4.713 509 HA THR 72 HA THR 72 5.372 -3.787 -5.813 510 HB THR 72 HB THR 72 7.506 -5.007 -6.387 511 HG1 THR 72 1HG THR 72 9.343 -3.364 -6.409 512 HG21 THR 72 1HG2 THR 72 6.948 -2.258 -7.481 513 HG22 THR 72 2HG2 THR 72 6.459 -3.818 -8.143 514 HG23 THR 72 3HG2 THR 72 8.153 -3.332 -8.189 515 H TYR 73 H TYR 73 5.103 -5.803 -4.930 516 HA TYR 73 HA TYR 73 6.656 -6.714 -2.695 517 HB2 TYR 73 1HB TYR 73 5.100 -6.546 -0.969 518 HB3 TYR 73 2HB TYR 73 4.922 -5.003 -1.798 519 HD1 TYR 73 1HD TYR 73 2.942 -4.558 -3.185 520 HD2 TYR 73 2HD TYR 73 3.328 -8.172 -0.972 521 HE1 TYR 73 1HE TYR 73 0.536 -4.984 -3.471 522 HE2 TYR 73 2HE TYR 73 0.924 -8.607 -1.253 523 HH TYR 73 HH TYR 73 -1.227 -6.227 -2.615 524 H THR 74 H THR 74 5.488 -8.743 -1.715 525 HA THR 74 HA THR 74 3.873 -10.175 -3.660 526 HB THR 74 HB THR 74 6.583 -11.222 -2.816 527 HG1 THR 74 1HG THR 74 5.592 -10.029 -5.166 528 HG21 THR 74 1HG2 THR 74 6.106 -13.158 -4.141 529 HG22 THR 74 2HG2 THR 74 4.594 -12.458 -4.718 530 HG23 THR 74 3HG2 THR 74 4.757 -12.933 -3.028 531 HA PRO 75 HA PRO 75 2.321 -11.401 0.360 532 HB2 PRO 75 1HB PRO 75 0.122 -12.667 -0.603 533 HB3 PRO 75 2HB PRO 75 0.229 -10.909 -0.454 534 HG2 PRO 75 1HG PRO 75 0.620 -12.631 -2.870 535 HG3 PRO 75 2HG PRO 75 -0.250 -11.094 -2.721 536 HD2 PRO 75 1HD PRO 75 2.255 -11.257 -3.736 537 HD3 PRO 75 2HD PRO 75 1.683 -9.844 -2.825 538 H SER 76 H SER 76 4.063 -12.885 0.735 539 HA SER 76 HA SER 76 4.709 -15.240 -0.343 540 HB2 SER 76 1HB SER 76 5.741 -14.395 1.718 541 HB3 SER 76 2HB SER 76 4.287 -14.810 2.625 542 HG SER 76 HG SER 76 5.452 -16.844 1.135 543 H GLN 77 H GLN 77 2.039 -14.902 1.994 544 HA GLN 77 HA GLN 77 0.869 -17.355 0.856 545 HB2 GLN 77 1HB GLN 77 0.048 -17.983 3.011 546 HB3 GLN 77 2HB GLN 77 1.759 -17.621 3.188 547 HG2 GLN 77 1HG GLN 77 1.032 -15.303 3.931 548 HG3 GLN 77 2HG GLN 77 -0.590 -15.979 4.064 549 HE21 GLN 77 1HE2 GLN 77 0.929 -14.892 6.191 550 HE22 GLN 77 2HE2 GLN 77 1.226 -16.159 7.327 551 H GLU 78 H GLU 78 -1.533 -17.497 1.243 552 HA GLU 78 HA GLU 78 -2.726 -14.962 0.461 553 HB2 GLU 78 1HB GLU 78 -4.685 -16.277 -0.131 554 HB3 GLU 78 2HB GLU 78 -3.240 -16.994 -0.829 555 HG2 GLU 78 1HG GLU 78 -4.157 -17.993 1.809 556 HG3 GLU 78 2HG GLU 78 -5.077 -18.449 0.375 557 H GLY 79 H GLY 79 -4.929 -14.436 1.366 558 HA2 GLY 79 1HA GLY 79 -6.370 -14.960 3.386 559 HA3 GLY 79 2HA GLY 79 -4.868 -14.838 4.291 560 HA PRO 80 HA PRO 80 -7.068 -10.688 4.101 561 HB2 PRO 80 1HB PRO 80 -7.405 -10.405 6.780 562 HB3 PRO 80 2HB PRO 80 -8.592 -11.203 5.741 563 HG2 PRO 80 1HG PRO 80 -6.489 -12.416 7.495 564 HG3 PRO 80 2HG PRO 80 -8.178 -12.908 7.269 565 HD2 PRO 80 1HD PRO 80 -6.117 -14.168 6.047 566 HD3 PRO 80 2HD PRO 80 -7.722 -14.019 5.302 567 H TYR 81 H TYR 81 -4.923 -10.033 3.419 568 HA TYR 81 HA TYR 81 -2.853 -9.634 5.364 569 HB2 TYR 81 1HB TYR 81 -3.197 -9.131 2.458 570 HB3 TYR 81 2HB TYR 81 -2.010 -8.141 3.302 571 HD1 TYR 81 1HD TYR 81 -2.971 -11.743 3.589 572 HD2 TYR 81 2HD TYR 81 0.113 -8.912 2.835 573 HE1 TYR 81 1HE TYR 81 -1.338 -13.575 3.429 574 HE2 TYR 81 2HE TYR 81 1.756 -10.734 2.672 575 HH TYR 81 HH TYR 81 2.066 -12.936 2.648 576 H MET 82 H MET 82 -1.806 -7.375 5.463 577 HA MET 82 HA MET 82 -3.780 -5.223 5.493 578 HB2 MET 82 1HB MET 82 -3.751 -6.355 7.753 579 HB3 MET 82 2HB MET 82 -2.085 -5.815 7.920 580 HG2 MET 82 1HG MET 82 -2.676 -3.607 8.137 581 HG3 MET 82 2HG MET 82 -4.206 -3.823 7.291 582 HE1 MET 82 1HE MET 82 -2.970 -4.559 11.505 583 HE2 MET 82 2HE MET 82 -2.183 -3.706 10.176 584 HE3 MET 82 3HE MET 82 -3.416 -2.892 11.141 585 H VAL 83 H VAL 83 -2.873 -3.677 4.314 586 HA VAL 83 HA VAL 83 0.035 -3.262 4.514 587 HB VAL 83 HB VAL 83 -1.860 -2.464 2.301 588 HG11 VAL 83 1HG1 VAL 83 -0.313 -0.863 1.966 589 HG12 VAL 83 2HG1 VAL 83 0.908 -1.692 2.933 590 HG13 VAL 83 3HG1 VAL 83 0.620 -2.183 1.263 591 HG21 VAL 83 1HG2 VAL 83 -1.415 -4.414 1.329 592 HG22 VAL 83 2HG2 VAL 83 0.320 -4.195 1.554 593 HG23 VAL 83 3HG2 VAL 83 -0.650 -4.924 2.834 594 H SER 84 H SER 84 0.183 -1.854 6.215 595 HA SER 84 HA SER 84 -1.536 0.456 6.402 596 HB2 SER 84 1HB SER 84 0.974 0.033 8.012 597 HB3 SER 84 2HB SER 84 -0.495 0.891 8.471 598 HG SER 84 HG SER 84 -1.393 -1.430 8.057 599 H VAL 85 H VAL 85 -0.954 2.601 6.119 600 HA VAL 85 HA VAL 85 1.685 3.157 4.972 601 HB VAL 85 HB VAL 85 -0.932 3.963 3.697 602 HG11 VAL 85 1HG1 VAL 85 1.086 4.700 1.982 603 HG12 VAL 85 2HG1 VAL 85 0.177 5.788 3.034 604 HG13 VAL 85 3HG1 VAL 85 1.730 5.139 3.563 605 HG21 VAL 85 1HG2 VAL 85 0.525 2.794 1.749 606 HG22 VAL 85 2HG2 VAL 85 1.079 1.879 3.151 607 HG23 VAL 85 3HG2 VAL 85 -0.639 1.932 2.756 608 H LYS 86 H LYS 86 2.519 5.114 5.506 609 HA LYS 86 HA LYS 86 0.777 6.968 6.992 610 HB2 LYS 86 1HB LYS 86 2.602 5.508 8.259 611 HB3 LYS 86 2HB LYS 86 3.671 6.781 7.685 612 HG2 LYS 86 1HG LYS 86 2.428 8.451 8.851 613 HG3 LYS 86 2HG LYS 86 1.164 7.292 9.267 614 HD2 LYS 86 1HD LYS 86 2.951 5.993 10.505 615 HD3 LYS 86 2HD LYS 86 3.996 7.398 10.284 616 HE2 LYS 86 1HE LYS 86 2.045 8.725 11.330 617 HE3 LYS 86 2HE LYS 86 1.469 7.152 11.880 618 HZ1 LYS 86 1HZ LYS 86 3.308 6.858 13.230 619 HZ2 LYS 86 2HZ LYS 86 2.982 8.506 13.417 620 HZ3 LYS 86 3HZ LYS 86 4.243 8.005 12.407 621 H TYR 87 H TYR 87 1.856 9.187 7.199 622 HA TYR 87 HA TYR 87 3.643 9.908 5.045 623 HB2 TYR 87 1HB TYR 87 1.165 9.835 4.195 624 HB3 TYR 87 2HB TYR 87 1.018 11.356 5.068 625 HD1 TYR 87 1HD TYR 87 3.041 9.661 2.443 626 HD2 TYR 87 2HD TYR 87 1.688 13.355 4.063 627 HE1 TYR 87 1HE TYR 87 4.002 10.850 0.517 628 HE2 TYR 87 2HE TYR 87 2.644 14.555 2.141 629 HH TYR 87 HH TYR 87 3.231 13.599 -0.518 630 H ALA 88 H ALA 88 5.059 11.103 6.130 631 HA ALA 88 HA ALA 88 5.965 12.736 7.431 632 HB1 ALA 88 1HB ALA 88 4.983 14.823 7.396 633 HB2 ALA 88 2HB ALA 88 4.233 14.047 6.002 634 HB3 ALA 88 3HB ALA 88 3.348 14.173 7.521 635 H ASP 89 H ASP 89 4.938 10.471 8.738 636 HA ASP 89 HA ASP 89 4.558 9.707 10.848 637 HB2 ASP 89 1HB ASP 89 4.894 12.606 11.651 638 HB3 ASP 89 2HB ASP 89 4.931 11.222 12.740 639 H GLU 90 H GLU 90 2.367 10.419 9.160 640 HA GLU 90 HA GLU 90 0.313 10.703 11.211 641 HB2 GLU 90 1HB GLU 90 0.457 12.441 8.743 642 HB3 GLU 90 2HB GLU 90 -0.957 12.309 9.779 643 HG2 GLU 90 1HG GLU 90 0.609 13.032 11.675 644 HG3 GLU 90 2HG GLU 90 1.708 13.527 10.389 645 H GLU 91 H GLU 91 -0.624 8.763 10.985 646 HA GLU 91 HA GLU 91 -0.758 7.196 8.708 647 HB2 GLU 91 1HB GLU 91 -2.233 7.301 11.277 648 HB3 GLU 91 2HB GLU 91 -3.002 6.404 9.975 649 HG2 GLU 91 1HG GLU 91 -1.362 4.804 9.917 650 HG3 GLU 91 2HG GLU 91 -0.139 5.878 10.592 651 H ILE 92 H ILE 92 -1.701 7.541 6.819 652 HA ILE 92 HA ILE 92 -3.434 9.642 6.238 653 HB ILE 92 HB ILE 92 -3.881 8.509 4.105 654 HG12 ILE 92 1HG1 ILE 92 -2.243 6.221 5.211 655 HG13 ILE 92 2HG1 ILE 92 -3.999 6.203 5.092 656 HG21 ILE 92 1HG2 ILE 92 -1.613 8.489 3.280 657 HG22 ILE 92 2HG2 ILE 92 -1.793 9.780 4.466 658 HG23 ILE 92 3HG2 ILE 92 -0.985 8.279 4.914 659 HD11 ILE 92 1HD1 ILE 92 -2.015 5.641 3.087 660 HD12 ILE 92 2HD1 ILE 92 -3.754 5.348 3.067 661 HD13 ILE 92 3HD1 ILE 92 -3.118 6.909 2.553 662 HA PRO 93 HA PRO 93 -7.440 8.329 7.468 663 HB2 PRO 93 1HB PRO 93 -8.973 9.486 5.549 664 HB3 PRO 93 2HB PRO 93 -8.181 10.409 6.833 665 HG2 PRO 93 1HG PRO 93 -7.325 9.992 3.994 666 HG3 PRO 93 2HG PRO 93 -7.301 11.476 4.964 667 HD2 PRO 93 1HD PRO 93 -5.087 9.976 4.544 668 HD3 PRO 93 2HD PRO 93 -5.350 10.892 6.042 669 H ARG 94 H ARG 94 -5.885 7.014 4.908 670 HA ARG 94 HA ARG 94 -8.180 5.310 4.187 671 HB2 ARG 94 1HB ARG 94 -5.784 6.088 2.517 672 HB3 ARG 94 2HB ARG 94 -6.974 4.883 2.042 673 HG2 ARG 94 1HG ARG 94 -8.699 6.526 1.927 674 HG3 ARG 94 2HG ARG 94 -7.650 7.751 2.643 675 HD2 ARG 94 1HD ARG 94 -6.255 7.795 0.710 676 HD3 ARG 94 2HD ARG 94 -7.053 6.375 0.033 677 HE ARG 94 HE ARG 94 -8.667 7.749 -0.811 678 HH11 ARG 94 1HH1 ARG 94 -6.993 9.426 1.740 679 HH12 ARG 94 2HH1 ARG 94 -7.810 10.929 1.466 680 HH21 ARG 94 1HH2 ARG 94 -9.750 9.722 -1.182 681 HH22 ARG 94 2HH2 ARG 94 -9.379 11.096 -0.196 682 H SER 95 H SER 95 -5.635 5.312 6.118 683 HA SER 95 HA SER 95 -4.961 2.492 5.580 684 HB2 SER 95 1HB SER 95 -2.881 3.406 5.321 685 HB3 SER 95 2HB SER 95 -3.259 4.812 6.315 686 HG SER 95 HG SER 95 -2.603 3.779 8.047 687 HA PRO 96 HA PRO 96 -3.443 1.125 6.810 688 HB2 PRO 96 1HB PRO 96 -4.242 -1.348 7.597 689 HB3 PRO 96 2HB PRO 96 -3.149 -0.341 8.555 690 HG2 PRO 96 1HG PRO 96 -6.096 -0.766 8.867 691 HG3 PRO 96 2HG PRO 96 -4.837 -0.705 10.113 692 HD2 PRO 96 1HD PRO 96 -6.456 1.398 9.575 693 HD3 PRO 96 2HD PRO 96 -4.779 1.599 10.121 694 H PHE 97 H PHE 97 -3.807 -0.887 5.346 695 HA PHE 97 HA PHE 97 -6.390 -0.550 3.970 696 HB2 PHE 97 1HB PHE 97 -3.645 -1.130 2.857 697 HB3 PHE 97 2HB PHE 97 -5.120 -1.311 1.914 698 HD1 PHE 97 2HD PHE 97 -3.046 1.131 3.757 699 HD2 PHE 97 1HD PHE 97 -6.155 0.540 0.912 700 HE1 PHE 97 2HE PHE 97 -2.957 3.519 3.170 701 HE2 PHE 97 1HE PHE 97 -6.071 2.927 0.319 702 HZ PHE 97 HZ PHE 97 -4.472 4.420 1.448 703 H LYS 98 H LYS 98 -7.660 -2.275 3.834 704 HA LYS 98 HA LYS 98 -6.649 -4.848 4.753 705 HB2 LYS 98 1HB LYS 98 -9.006 -5.523 4.802 706 HB3 LYS 98 2HB LYS 98 -8.751 -4.029 5.695 707 HG2 LYS 98 1HG LYS 98 -9.426 -2.911 3.429 708 HG3 LYS 98 2HG LYS 98 -10.174 -4.480 3.119 709 HD2 LYS 98 1HD LYS 98 -10.670 -3.087 5.716 710 HD3 LYS 98 2HD LYS 98 -11.545 -2.580 4.269 711 HE2 LYS 98 1HE LYS 98 -12.249 -4.955 3.960 712 HE3 LYS 98 2HE LYS 98 -11.511 -5.325 5.517 713 HZ1 LYS 98 1HZ LYS 98 -13.862 -3.622 4.961 714 HZ2 LYS 98 2HZ LYS 98 -13.013 -3.507 6.420 715 HZ3 LYS 98 3HZ LYS 98 -13.752 -4.966 5.985 716 H VAL 99 H VAL 99 -5.673 -6.035 3.238 717 HA VAL 99 HA VAL 99 -6.975 -6.259 0.600 718 HB VAL 99 HB VAL 99 -4.041 -6.600 1.244 719 HG11 VAL 99 1HG1 VAL 99 -4.832 -6.328 -1.550 720 HG12 VAL 99 2HG1 VAL 99 -3.725 -7.473 -0.791 721 HG13 VAL 99 3HG1 VAL 99 -5.461 -7.786 -0.783 722 HG21 VAL 99 1HG2 VAL 99 -5.610 -4.277 0.632 723 HG22 VAL 99 2HG2 VAL 99 -3.890 -4.395 1.006 724 HG23 VAL 99 3HG2 VAL 99 -4.444 -4.575 -0.659 725 H LYS 100 H LYS 100 -8.097 -8.101 0.586 726 HA LYS 100 HA LYS 100 -7.200 -10.423 2.063 727 HB2 LYS 100 1HB LYS 100 -9.574 -9.897 2.046 728 HB3 LYS 100 2HB LYS 100 -9.608 -9.980 0.290 729 HG2 LYS 100 1HG LYS 100 -9.184 -12.340 0.335 730 HG3 LYS 100 2HG LYS 100 -8.937 -12.304 2.083 731 HD2 LYS 100 1HD LYS 100 -11.246 -11.716 2.444 732 HD3 LYS 100 2HD LYS 100 -11.519 -11.563 0.706 733 HE2 LYS 100 1HE LYS 100 -10.685 -14.114 2.080 734 HE3 LYS 100 2HE LYS 100 -12.353 -13.696 1.693 735 HZ1 LYS 100 1HZ LYS 100 -11.379 -13.394 -0.682 736 HZ2 LYS 100 2HZ LYS 100 -11.758 -14.943 -0.115 737 HZ3 LYS 100 3HZ LYS 100 -10.151 -14.412 -0.114 738 H VAL 101 H VAL 101 -5.409 -11.280 1.107 739 HA VAL 101 HA VAL 101 -5.075 -11.551 -1.700 740 HB VAL 101 HB VAL 101 -3.664 -13.020 0.532 741 HG11 VAL 101 1HG1 VAL 101 -3.265 -14.240 -1.439 742 HG12 VAL 101 2HG1 VAL 101 -3.103 -12.775 -2.411 743 HG13 VAL 101 3HG1 VAL 101 -1.852 -13.204 -1.243 744 HG21 VAL 101 1HG2 VAL 101 -2.334 -10.831 -0.931 745 HG22 VAL 101 2HG2 VAL 101 -3.637 -10.353 0.158 746 HG23 VAL 101 3HG2 VAL 101 -2.260 -11.264 0.777 747 H LEU 102 H LEU 102 -5.205 -13.383 -3.005 748 HA LEU 102 HA LEU 102 -6.913 -15.530 -1.935 749 HB2 LEU 102 1HB LEU 102 -6.695 -14.323 -4.675 750 HB3 LEU 102 2HB LEU 102 -7.450 -15.893 -4.407 751 HG LEU 102 HG LEU 102 -8.381 -13.351 -3.082 752 HD11 LEU 102 1HD1 LEU 102 -8.853 -12.849 -5.272 753 HD12 LEU 102 2HD1 LEU 102 -10.306 -13.733 -4.809 754 HD13 LEU 102 3HD1 LEU 102 -9.040 -14.540 -5.735 755 HD21 LEU 102 1HD2 LEU 102 -10.208 -14.562 -2.340 756 HD22 LEU 102 2HD2 LEU 102 -8.891 -15.723 -2.165 757 HD23 LEU 102 3HD2 LEU 102 -9.987 -15.833 -3.542 758 HA PRO 103 HA PRO 103 -3.819 -18.535 -2.750 759 HB2 PRO 103 1HB PRO 103 -5.322 -20.668 -3.496 760 HB3 PRO 103 2HB PRO 103 -5.243 -20.085 -1.830 761 HG2 PRO 103 1HG PRO 103 -7.336 -19.591 -3.912 762 HG3 PRO 103 2HG PRO 103 -7.537 -19.969 -2.191 763 HD2 PRO 103 1HD PRO 103 -7.749 -17.451 -3.164 764 HD3 PRO 103 2HD PRO 103 -7.129 -17.797 -1.537 765 H THR 104 H THR 104 -2.465 -18.602 -4.419 766 HA THR 104 HA THR 104 -2.731 -17.785 -6.940 767 HB THR 104 HB THR 104 -1.200 -20.252 -6.098 768 HG1 THR 104 1HG THR 104 0.424 -18.280 -6.559 769 HG21 THR 104 1HG2 THR 104 -1.503 -20.277 -8.508 770 HG22 THR 104 2HG2 THR 104 0.163 -19.852 -8.119 771 HG23 THR 104 3HG2 THR 104 -0.973 -18.598 -8.615 772 H TYR 105 H TYR 105 -3.945 -20.834 -5.715 773 HA TYR 105 HA TYR 105 -4.904 -21.569 -8.386 774 HB2 TYR 105 1HB TYR 105 -4.557 -23.103 -5.821 775 HB3 TYR 105 2HB TYR 105 -5.562 -23.727 -7.124 776 HD1 TYR 105 1HD TYR 105 -2.149 -22.261 -6.671 777 HD2 TYR 105 2HD TYR 105 -4.565 -25.180 -8.606 778 HE1 TYR 105 1HE TYR 105 -0.148 -23.184 -7.765 779 HE2 TYR 105 2HE TYR 105 -2.571 -26.111 -9.704 780 HH TYR 105 HH TYR 105 -0.331 -26.082 -9.786 781 H ASP 106 H ASP 106 -7.021 -21.614 -8.912 782 HA ASP 106 HA ASP 106 -8.935 -20.791 -6.828 783 HB2 ASP 106 1HB ASP 106 -10.262 -20.087 -9.015 784 HB3 ASP 106 2HB ASP 106 -9.058 -19.025 -8.290 785 H ALA 107 H ALA 107 -7.964 -23.466 -8.254 786 HA ALA 107 HA ALA 107 -8.908 -25.424 -8.997 787 HB1 ALA 107 1HB ALA 107 -9.779 -24.755 -6.427 788 HB2 ALA 107 2HB ALA 107 -11.203 -25.376 -7.264 789 HB3 ALA 107 3HB ALA 107 -9.741 -26.358 -7.163 790 H SER 108 H SER 108 -9.675 -23.313 -10.651 791 HA SER 108 HA SER 108 -12.398 -24.151 -11.393 792 HB2 SER 108 1HB SER 108 -12.600 -21.925 -10.479 793 HB3 SER 108 2HB SER 108 -11.253 -21.351 -11.460 794 HG SER 108 HG SER 108 -12.523 -21.231 -13.159 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.748 22.402 -6.906 2 HA2 GLY 1 1HA GLY 1 -11.849 24.257 -4.909 3 HA3 GLY 1 2HA GLY 1 -10.449 23.283 -4.483 4 H SER 2 H SER 2 -8.818 24.700 -4.355 5 HA SER 2 HA SER 2 -8.372 26.471 -6.669 6 HB2 SER 2 1HB SER 2 -7.513 26.976 -3.811 7 HB3 SER 2 2HB SER 2 -7.327 28.077 -5.176 8 HG SER 2 HG SER 2 -9.684 27.999 -5.320 9 H SER 3 H SER 3 -5.937 27.216 -6.632 10 HA SER 3 HA SER 3 -4.108 25.107 -5.845 11 HB2 SER 3 1HB SER 3 -4.555 25.820 -8.753 12 HB3 SER 3 2HB SER 3 -3.205 24.854 -8.158 13 HG SER 3 HG SER 3 -5.300 23.804 -8.943 14 H GLY 4 H GLY 4 -1.834 25.698 -6.271 15 HA2 GLY 4 1HA GLY 4 -0.766 27.969 -7.252 16 HA3 GLY 4 2HA GLY 4 -1.448 28.517 -5.729 17 H SER 5 H SER 5 0.537 29.012 -4.815 18 HA SER 5 HA SER 5 2.746 27.249 -4.768 19 HB2 SER 5 1HB SER 5 2.111 29.451 -2.790 20 HB3 SER 5 2HB SER 5 3.695 28.751 -3.119 21 HG SER 5 HG SER 5 3.278 30.774 -4.205 22 H SER 6 H SER 6 2.594 25.273 -3.919 23 HA SER 6 HA SER 6 1.040 24.850 -1.482 24 HB2 SER 6 1HB SER 6 1.051 22.550 -2.000 25 HB3 SER 6 2HB SER 6 0.904 23.344 -3.568 26 HG SER 6 HG SER 6 2.987 21.861 -2.516 27 H GLY 7 H GLY 7 1.905 23.914 0.391 28 HA2 GLY 7 1HA GLY 7 4.779 23.490 0.556 29 HA3 GLY 7 2HA GLY 7 4.151 24.835 1.496 30 H VAL 8 H VAL 8 2.359 24.298 3.023 31 HA VAL 8 HA VAL 8 3.043 22.601 4.988 32 HB VAL 8 HB VAL 8 1.093 24.153 5.054 33 HG11 VAL 8 1HG1 VAL 8 -0.017 22.076 3.252 34 HG12 VAL 8 2HG1 VAL 8 -1.111 22.803 4.431 35 HG13 VAL 8 3HG1 VAL 8 -0.268 23.821 3.261 36 HG21 VAL 8 1HG2 VAL 8 0.149 23.070 6.828 37 HG22 VAL 8 2HG2 VAL 8 0.054 21.527 5.979 38 HG23 VAL 8 3HG2 VAL 8 1.597 22.084 6.625 39 H VAL 9 H VAL 9 2.479 20.484 5.662 40 HA VAL 9 HA VAL 9 2.212 18.617 3.427 41 HB VAL 9 HB VAL 9 3.035 18.185 6.299 42 HG11 VAL 9 1HG1 VAL 9 3.676 15.871 5.305 43 HG12 VAL 9 2HG1 VAL 9 2.012 16.170 5.811 44 HG13 VAL 9 3HG1 VAL 9 2.442 16.247 4.102 45 HG21 VAL 9 1HG2 VAL 9 4.559 18.063 3.700 46 HG22 VAL 9 2HG2 VAL 9 4.739 19.268 4.974 47 HG23 VAL 9 3HG2 VAL 9 5.208 17.594 5.272 48 H ASP 10 H ASP 10 0.456 17.404 3.090 49 HA ASP 10 HA ASP 10 -1.560 17.223 5.224 50 HB2 ASP 10 1HB ASP 10 -1.973 17.968 2.333 51 HB3 ASP 10 2HB ASP 10 -3.281 17.325 3.323 52 HA PRO 11 HA PRO 11 -0.642 12.952 3.968 53 HB2 PRO 11 1HB PRO 11 -1.449 11.870 6.323 54 HB3 PRO 11 2HB PRO 11 0.155 12.574 6.090 55 HG2 PRO 11 1HG PRO 11 -2.275 13.777 7.358 56 HG3 PRO 11 2HG PRO 11 -0.586 13.842 7.892 57 HD2 PRO 11 1HD PRO 11 -1.781 15.891 6.588 58 HD3 PRO 11 2HD PRO 11 -0.051 15.528 6.414 59 H SER 12 H SER 12 -3.415 14.687 4.314 60 HA SER 12 HA SER 12 -5.190 12.358 4.102 61 HB2 SER 12 1HB SER 12 -5.733 15.270 4.698 62 HB3 SER 12 2HB SER 12 -7.016 14.106 4.369 63 HG SER 12 HG SER 12 -6.326 14.502 6.658 64 H LYS 13 H LYS 13 -3.454 14.277 2.122 65 HA LYS 13 HA LYS 13 -5.508 14.409 0.027 66 HB2 LYS 13 1HB LYS 13 -2.766 15.670 -0.025 67 HB3 LYS 13 2HB LYS 13 -4.122 16.013 -1.089 68 HG2 LYS 13 1HG LYS 13 -4.380 16.474 1.849 69 HG3 LYS 13 2HG LYS 13 -3.544 17.650 0.833 70 HD2 LYS 13 1HD LYS 13 -5.657 18.491 0.687 71 HD3 LYS 13 2HD LYS 13 -5.726 17.342 -0.652 72 HE2 LYS 13 1HE LYS 13 -6.869 15.737 0.682 73 HE3 LYS 13 2HE LYS 13 -6.579 16.661 2.154 74 HZ1 LYS 13 1HZ LYS 13 -8.516 17.649 1.817 75 HZ2 LYS 13 2HZ LYS 13 -8.722 16.869 0.330 76 HZ3 LYS 13 3HZ LYS 13 -7.907 18.349 0.402 77 H VAL 14 H VAL 14 -2.977 12.498 1.073 78 HA VAL 14 HA VAL 14 -2.056 11.669 -1.548 79 HB VAL 14 HB VAL 14 -0.381 11.665 0.144 80 HG11 VAL 14 1HG1 VAL 14 -2.522 10.566 1.786 81 HG12 VAL 14 2HG1 VAL 14 -0.980 9.737 2.010 82 HG13 VAL 14 3HG1 VAL 14 -1.090 11.481 2.254 83 HG21 VAL 14 1HG2 VAL 14 -0.539 9.708 -1.492 84 HG22 VAL 14 2HG2 VAL 14 0.502 9.505 -0.083 85 HG23 VAL 14 3HG2 VAL 14 -1.096 8.760 -0.114 86 H LYS 15 H LYS 15 -2.859 10.044 -2.707 87 HA LYS 15 HA LYS 15 -4.597 8.081 -1.363 88 HB2 LYS 15 1HB LYS 15 -5.037 9.228 -4.126 89 HB3 LYS 15 2HB LYS 15 -6.065 8.063 -3.301 90 HG2 LYS 15 1HG LYS 15 -7.235 9.979 -2.919 91 HG3 LYS 15 2HG LYS 15 -6.204 9.959 -1.487 92 HD2 LYS 15 1HD LYS 15 -5.963 12.137 -2.229 93 HD3 LYS 15 2HD LYS 15 -4.571 11.340 -2.967 94 HE2 LYS 15 1HE LYS 15 -5.642 11.230 -5.078 95 HE3 LYS 15 2HE LYS 15 -7.202 11.674 -4.387 96 HZ1 LYS 15 1HZ LYS 15 -6.350 13.867 -3.914 97 HZ2 LYS 15 2HZ LYS 15 -6.150 13.523 -5.557 98 HZ3 LYS 15 3HZ LYS 15 -4.824 13.448 -4.511 99 H ILE 16 H ILE 16 -4.959 6.117 -2.846 100 HA ILE 16 HA ILE 16 -2.633 5.509 -4.504 101 HB ILE 16 HB ILE 16 -2.167 3.415 -3.389 102 HG12 ILE 16 1HG1 ILE 16 -4.367 4.229 -1.479 103 HG13 ILE 16 2HG1 ILE 16 -4.392 2.862 -2.586 104 HG21 ILE 16 1HG2 ILE 16 -0.997 5.423 -2.615 105 HG22 ILE 16 2HG2 ILE 16 -2.247 5.679 -1.400 106 HG23 ILE 16 3HG2 ILE 16 -1.214 4.254 -1.313 107 HD11 ILE 16 1HD1 ILE 16 -2.227 2.192 -1.229 108 HD12 ILE 16 2HD1 ILE 16 -3.005 3.179 0.008 109 HD13 ILE 16 3HD1 ILE 16 -3.849 1.787 -0.667 110 H ALA 17 H ALA 17 -3.104 4.239 -6.210 111 HA ALA 17 HA ALA 17 -5.570 2.666 -6.193 112 HB1 ALA 17 1HB ALA 17 -5.006 4.998 -7.948 113 HB2 ALA 17 2HB ALA 17 -5.852 3.614 -8.641 114 HB3 ALA 17 3HB ALA 17 -6.528 4.451 -7.244 115 H GLY 18 H GLY 18 -5.235 0.702 -7.012 116 HA2 GLY 18 1HA GLY 18 -3.847 0.084 -9.342 117 HA3 GLY 18 2HA GLY 18 -2.702 -0.076 -8.018 118 HA PRO 19 HA PRO 19 -5.324 -3.976 -8.608 119 HB2 PRO 19 1HB PRO 19 -3.340 -5.594 -9.511 120 HB3 PRO 19 2HB PRO 19 -4.362 -4.635 -10.588 121 HG2 PRO 19 1HG PRO 19 -1.599 -4.060 -9.589 122 HG3 PRO 19 2HG PRO 19 -2.264 -3.856 -11.220 123 HD2 PRO 19 1HD PRO 19 -1.974 -1.788 -9.497 124 HD3 PRO 19 2HD PRO 19 -3.286 -1.859 -10.691 125 H GLY 20 H GLY 20 -2.060 -3.391 -7.391 126 HA2 GLY 20 1HA GLY 20 -1.738 -5.634 -5.777 127 HA3 GLY 20 2HA GLY 20 -1.020 -4.062 -5.458 128 H LEU 21 H LEU 21 -3.508 -2.655 -5.143 129 HA LEU 21 HA LEU 21 -4.074 -3.449 -2.409 130 HB2 LEU 21 1HB LEU 21 -5.257 -1.127 -3.910 131 HB3 LEU 21 2HB LEU 21 -5.132 -1.340 -2.165 132 HG LEU 21 HG LEU 21 -2.634 -1.166 -3.788 133 HD11 LEU 21 1HD1 LEU 21 -4.622 0.974 -3.431 134 HD12 LEU 21 2HD1 LEU 21 -3.346 0.793 -4.635 135 HD13 LEU 21 3HD1 LEU 21 -2.959 1.400 -3.025 136 HD21 LEU 21 1HD2 LEU 21 -3.476 -0.478 -0.985 137 HD22 LEU 21 2HD2 LEU 21 -1.939 0.048 -1.672 138 HD23 LEU 21 3HD2 LEU 21 -2.291 -1.673 -1.512 139 H GLY 22 H GLY 22 -5.424 -3.912 -5.490 140 HA2 GLY 22 1HA GLY 22 -8.174 -3.942 -4.937 141 HA3 GLY 22 2HA GLY 22 -7.384 -4.867 -6.205 142 H SER 23 H SER 23 -9.420 -6.138 -5.266 143 HA SER 23 HA SER 23 -8.653 -7.789 -2.988 144 HB2 SER 23 1HB SER 23 -10.926 -8.701 -3.139 145 HB3 SER 23 2HB SER 23 -10.962 -6.938 -3.103 146 HG SER 23 HG SER 23 -12.261 -8.191 -4.768 147 H GLY 24 H GLY 24 -8.362 -7.826 -6.340 148 HA2 GLY 24 1HA GLY 24 -8.494 -10.722 -6.606 149 HA3 GLY 24 2HA GLY 24 -8.170 -9.570 -7.893 150 H VAL 25 H VAL 25 -6.560 -10.059 -4.763 151 HA VAL 25 HA VAL 25 -3.999 -10.171 -6.170 152 HB VAL 25 HB VAL 25 -4.605 -9.908 -3.222 153 HG11 VAL 25 1HG1 VAL 25 -1.979 -9.112 -3.735 154 HG12 VAL 25 2HG1 VAL 25 -2.507 -10.558 -2.874 155 HG13 VAL 25 3HG1 VAL 25 -2.185 -10.631 -4.606 156 HG21 VAL 25 1HG2 VAL 25 -4.657 -7.700 -3.510 157 HG22 VAL 25 2HG2 VAL 25 -3.186 -7.723 -4.482 158 HG23 VAL 25 3HG2 VAL 25 -4.750 -8.009 -5.245 159 H ARG 26 H ARG 26 -2.595 -11.884 -6.052 160 HA ARG 26 HA ARG 26 -3.643 -14.335 -4.795 161 HB2 ARG 26 1HB ARG 26 -1.905 -14.160 -7.262 162 HB3 ARG 26 2HB ARG 26 -2.597 -15.620 -6.567 163 HG2 ARG 26 1HG ARG 26 -4.851 -14.746 -7.051 164 HG3 ARG 26 2HG ARG 26 -4.112 -13.343 -7.825 165 HD2 ARG 26 1HD ARG 26 -3.004 -14.820 -9.433 166 HD3 ARG 26 2HD ARG 26 -3.748 -16.218 -8.659 167 HE ARG 26 HE ARG 26 -5.848 -14.609 -9.334 168 HH11 ARG 26 1HH1 ARG 26 -3.197 -16.059 -11.063 169 HH12 ARG 26 2HH1 ARG 26 -4.073 -16.197 -12.551 170 HH21 ARG 26 1HH2 ARG 26 -7.012 -14.785 -11.288 171 HH22 ARG 26 2HH2 ARG 26 -6.243 -15.471 -12.679 172 H ALA 27 H ALA 27 -2.098 -15.815 -3.935 173 HA ALA 27 HA ALA 27 0.056 -14.527 -2.577 174 HB1 ALA 27 1HB ALA 27 -1.275 -16.360 -1.589 175 HB2 ALA 27 2HB ALA 27 -0.551 -17.475 -2.749 176 HB3 ALA 27 3HB ALA 27 0.462 -16.671 -1.550 177 H ARG 28 H ARG 28 2.265 -14.808 -2.816 178 HA ARG 28 HA ARG 28 4.229 -15.057 -3.936 179 HB2 ARG 28 1HB ARG 28 2.863 -17.452 -5.177 180 HB3 ARG 28 2HB ARG 28 4.595 -17.147 -5.140 181 HG2 ARG 28 1HG ARG 28 4.202 -17.083 -2.544 182 HG3 ARG 28 2HG ARG 28 2.776 -18.035 -2.964 183 HD2 ARG 28 1HD ARG 28 4.020 -19.808 -3.737 184 HD3 ARG 28 2HD ARG 28 5.415 -18.800 -4.116 185 HE ARG 28 HE ARG 28 5.178 -18.707 -1.385 186 HH11 ARG 28 1HH1 ARG 28 5.578 -21.204 -3.778 187 HH12 ARG 28 2HH1 ARG 28 6.449 -22.261 -2.718 188 HH21 ARG 28 1HH2 ARG 28 6.325 -20.091 0.020 189 HH22 ARG 28 2HH2 ARG 28 6.873 -21.628 -0.558 190 H VAL 29 H VAL 29 2.447 -13.234 -5.031 191 HA VAL 29 HA VAL 29 3.154 -13.419 -7.879 192 HB VAL 29 HB VAL 29 0.464 -12.735 -6.723 193 HG11 VAL 29 1HG1 VAL 29 1.628 -11.899 -9.364 194 HG12 VAL 29 2HG1 VAL 29 -0.112 -12.043 -9.103 195 HG13 VAL 29 3HG1 VAL 29 0.833 -10.900 -8.147 196 HG21 VAL 29 1HG2 VAL 29 0.356 -14.936 -7.307 197 HG22 VAL 29 2HG2 VAL 29 -0.065 -14.214 -8.860 198 HG23 VAL 29 3HG2 VAL 29 1.580 -14.778 -8.566 199 H LEU 30 H LEU 30 3.579 -11.454 -8.910 200 HA LEU 30 HA LEU 30 4.651 -9.417 -7.239 201 HB2 LEU 30 1HB LEU 30 5.571 -10.027 -9.449 202 HB3 LEU 30 2HB LEU 30 4.126 -9.359 -10.208 203 HG LEU 30 HG LEU 30 4.864 -7.172 -8.953 204 HD11 LEU 30 1HD1 LEU 30 6.757 -8.515 -7.850 205 HD12 LEU 30 2HD1 LEU 30 7.135 -6.926 -8.515 206 HD13 LEU 30 3HD1 LEU 30 7.566 -8.383 -9.412 207 HD21 LEU 30 1HD2 LEU 30 5.052 -8.127 -11.539 208 HD22 LEU 30 2HD2 LEU 30 6.678 -7.537 -11.190 209 HD23 LEU 30 3HD2 LEU 30 5.293 -6.459 -11.019 210 H GLN 31 H GLN 31 3.444 -8.006 -6.165 211 HA GLN 31 HA GLN 31 1.054 -6.909 -7.493 212 HB2 GLN 31 1HB GLN 31 1.517 -7.138 -4.517 213 HB3 GLN 31 2HB GLN 31 0.041 -6.617 -5.319 214 HG2 GLN 31 1HG GLN 31 1.226 -9.363 -5.620 215 HG3 GLN 31 2HG GLN 31 -0.005 -8.945 -4.429 216 HE21 GLN 31 1HE2 GLN 31 -0.604 -10.901 -6.123 217 HE22 GLN 31 2HE2 GLN 31 -1.745 -10.378 -7.312 218 H SER 32 H SER 32 1.005 -4.784 -7.844 219 HA SER 32 HA SER 32 2.565 -2.974 -6.182 220 HB2 SER 32 1HB SER 32 4.079 -3.693 -8.045 221 HB3 SER 32 2HB SER 32 2.925 -3.007 -9.187 222 HG SER 32 HG SER 32 4.377 -1.633 -7.175 223 H PHE 33 H PHE 33 2.064 -0.694 -6.628 224 HA PHE 33 HA PHE 33 -0.313 -0.152 -8.198 225 HB2 PHE 33 1HB PHE 33 -1.395 0.973 -6.172 226 HB3 PHE 33 2HB PHE 33 -1.446 -0.786 -6.227 227 HD1 PHE 33 1HD PHE 33 0.536 -1.992 -5.006 228 HD2 PHE 33 2HD PHE 33 -0.708 2.005 -4.237 229 HE1 PHE 33 1HE PHE 33 1.592 -2.093 -2.785 230 HE2 PHE 33 2HE PHE 33 0.346 1.910 -2.016 231 HZ PHE 33 HZ PHE 33 1.499 -0.141 -1.288 232 H THR 34 H THR 34 -0.970 2.311 -7.519 233 HA THR 34 HA THR 34 1.550 3.836 -7.666 234 HB THR 34 HB THR 34 -1.095 4.524 -8.961 235 HG1 THR 34 1HG THR 34 0.476 4.268 -10.867 236 HG21 THR 34 1HG2 THR 34 1.560 5.938 -8.861 237 HG22 THR 34 2HG2 THR 34 -0.032 6.566 -8.434 238 HG23 THR 34 3HG2 THR 34 0.370 6.255 -10.123 239 H VAL 35 H VAL 35 1.872 5.351 -6.167 240 HA VAL 35 HA VAL 35 -0.390 6.078 -4.428 241 HB VAL 35 HB VAL 35 2.571 6.142 -3.832 242 HG11 VAL 35 1HG1 VAL 35 0.174 7.070 -2.298 243 HG12 VAL 35 2HG1 VAL 35 1.618 6.509 -1.452 244 HG13 VAL 35 3HG1 VAL 35 1.718 7.881 -2.555 245 HG21 VAL 35 1HG2 VAL 35 0.737 4.479 -2.237 246 HG22 VAL 35 2HG2 VAL 35 0.996 3.949 -3.898 247 HG23 VAL 35 3HG2 VAL 35 2.371 4.140 -2.810 248 H ASP 36 H ASP 36 -1.229 7.961 -5.062 249 HA ASP 36 HA ASP 36 0.467 10.036 -6.193 250 HB2 ASP 36 1HB ASP 36 -1.701 9.564 -7.246 251 HB3 ASP 36 2HB ASP 36 -2.525 9.968 -5.742 252 H SER 37 H SER 37 1.615 11.115 -4.703 253 HA SER 37 HA SER 37 0.146 12.232 -2.404 254 HB2 SER 37 1HB SER 37 1.989 11.906 -0.986 255 HB3 SER 37 2HB SER 37 1.943 10.423 -1.940 256 HG SER 37 HG SER 37 3.867 10.897 -2.604 257 H SER 38 H SER 38 0.644 13.327 -5.107 258 HA SER 38 HA SER 38 2.661 15.318 -4.954 259 HB2 SER 38 1HB SER 38 1.895 14.639 -7.123 260 HB3 SER 38 2HB SER 38 0.225 15.037 -6.723 261 HG SER 38 HG SER 38 2.176 16.632 -7.692 262 H LYS 39 H LYS 39 -0.770 15.259 -4.174 263 HA LYS 39 HA LYS 39 -0.877 18.086 -3.611 264 HB2 LYS 39 1HB LYS 39 -2.867 15.876 -3.060 265 HB3 LYS 39 2HB LYS 39 -3.177 17.593 -2.830 266 HG2 LYS 39 1HG LYS 39 -2.460 17.709 -5.364 267 HG3 LYS 39 2HG LYS 39 -2.964 16.018 -5.338 268 HD2 LYS 39 1HD LYS 39 -5.163 16.599 -4.639 269 HD3 LYS 39 2HD LYS 39 -4.687 18.268 -4.316 270 HE2 LYS 39 1HE LYS 39 -5.813 18.371 -6.363 271 HE3 LYS 39 2HE LYS 39 -4.106 18.391 -6.803 272 HZ1 LYS 39 1HZ LYS 39 -5.196 16.877 -8.239 273 HZ2 LYS 39 2HZ LYS 39 -5.979 16.098 -6.959 274 HZ3 LYS 39 3HZ LYS 39 -4.305 15.942 -7.146 275 H ALA 40 H ALA 40 -0.043 15.233 -1.911 276 HA ALA 40 HA ALA 40 -0.687 16.087 0.724 277 HB1 ALA 40 1HB ALA 40 -0.402 13.763 0.378 278 HB2 ALA 40 2HB ALA 40 1.198 13.993 -0.328 279 HB3 ALA 40 3HB ALA 40 0.943 14.283 1.393 280 H GLY 41 H GLY 41 2.168 16.392 -1.324 281 HA2 GLY 41 1HA GLY 41 3.340 18.595 -0.820 282 HA3 GLY 41 2HA GLY 41 3.468 17.957 0.813 283 H LEU 42 H LEU 42 5.669 17.848 0.944 284 HA LEU 42 HA LEU 42 7.016 16.095 -1.003 285 HB2 LEU 42 1HB LEU 42 9.111 17.236 -0.259 286 HB3 LEU 42 2HB LEU 42 7.966 18.261 -1.123 287 HG LEU 42 HG LEU 42 9.194 19.200 0.949 288 HD11 LEU 42 1HD1 LEU 42 7.639 20.648 0.139 289 HD12 LEU 42 2HD1 LEU 42 6.864 20.236 1.668 290 HD13 LEU 42 3HD1 LEU 42 6.340 19.455 0.176 291 HD21 LEU 42 1HD2 LEU 42 6.987 17.650 2.302 292 HD22 LEU 42 2HD2 LEU 42 8.091 18.793 3.069 293 HD23 LEU 42 3HD2 LEU 42 8.708 17.278 2.407 294 H ALA 43 H ALA 43 5.543 15.550 1.620 295 HA ALA 43 HA ALA 43 7.569 14.612 3.425 296 HB1 ALA 43 1HB ALA 43 5.811 14.890 4.766 297 HB2 ALA 43 2HB ALA 43 4.675 14.850 3.417 298 HB3 ALA 43 3HB ALA 43 5.230 13.344 4.149 299 HA PRO 44 HA PRO 44 8.328 10.614 1.769 300 HB2 PRO 44 1HB PRO 44 8.859 9.226 4.041 301 HB3 PRO 44 2HB PRO 44 9.976 10.412 3.357 302 HG2 PRO 44 1HG PRO 44 8.028 10.725 5.608 303 HG3 PRO 44 2HG PRO 44 9.702 11.297 5.489 304 HD2 PRO 44 1HD PRO 44 7.574 12.919 5.073 305 HD3 PRO 44 2HD PRO 44 9.117 13.131 4.221 306 H LEU 45 H LEU 45 7.620 8.336 1.879 307 HA LEU 45 HA LEU 45 4.928 8.042 3.033 308 HB2 LEU 45 1HB LEU 45 4.583 8.372 0.713 309 HB3 LEU 45 2HB LEU 45 5.904 7.283 0.292 310 HG LEU 45 HG LEU 45 4.415 5.471 1.424 311 HD11 LEU 45 1HD1 LEU 45 1.967 6.056 0.913 312 HD12 LEU 45 2HD1 LEU 45 2.503 7.735 0.979 313 HD13 LEU 45 3HD1 LEU 45 2.687 6.695 2.390 314 HD21 LEU 45 1HD2 LEU 45 3.223 5.139 -0.745 315 HD22 LEU 45 2HD2 LEU 45 4.963 5.387 -0.900 316 HD23 LEU 45 3HD2 LEU 45 3.847 6.704 -1.266 317 H GLU 46 H GLU 46 4.606 6.250 4.199 318 HA GLU 46 HA GLU 46 6.636 4.120 4.031 319 HB2 GLU 46 1HB GLU 46 6.341 5.656 6.178 320 HB3 GLU 46 2HB GLU 46 5.048 4.516 6.522 321 HG2 GLU 46 1HG GLU 46 6.485 2.757 6.822 322 HG3 GLU 46 2HG GLU 46 7.737 3.466 5.804 323 H VAL 47 H VAL 47 5.958 1.997 4.075 324 HA VAL 47 HA VAL 47 3.070 1.487 4.175 325 HB VAL 47 HB VAL 47 4.914 0.539 1.979 326 HG11 VAL 47 1HG1 VAL 47 1.990 -0.106 2.280 327 HG12 VAL 47 2HG1 VAL 47 3.145 -0.783 1.129 328 HG13 VAL 47 3HG1 VAL 47 3.273 -1.176 2.844 329 HG21 VAL 47 1HG2 VAL 47 2.578 1.705 0.952 330 HG22 VAL 47 2HG2 VAL 47 3.137 2.782 2.233 331 HG23 VAL 47 3HG2 VAL 47 4.216 2.357 0.904 332 H ARG 48 H ARG 48 2.619 -0.141 5.495 333 HA ARG 48 HA ARG 48 4.737 -2.108 6.067 334 HB2 ARG 48 1HB ARG 48 3.684 -0.440 7.878 335 HB3 ARG 48 2HB ARG 48 2.495 -1.731 7.980 336 HG2 ARG 48 1HG ARG 48 5.346 -2.513 8.086 337 HG3 ARG 48 2HG ARG 48 4.684 -1.666 9.485 338 HD2 ARG 48 1HD ARG 48 3.110 -3.912 8.344 339 HD3 ARG 48 2HD ARG 48 4.572 -4.307 9.248 340 HE ARG 48 HE ARG 48 2.107 -3.224 10.300 341 HH11 ARG 48 1HH1 ARG 48 5.501 -3.785 10.833 342 HH12 ARG 48 2HH1 ARG 48 5.379 -3.689 12.559 343 HH21 ARG 48 1HH2 ARG 48 1.933 -3.096 12.570 344 HH22 ARG 48 2HH2 ARG 48 3.348 -3.299 13.547 345 H VAL 49 H VAL 49 4.161 -4.290 6.295 346 HA VAL 49 HA VAL 49 1.490 -4.989 5.261 347 HB VAL 49 HB VAL 49 4.063 -6.465 4.690 348 HG11 VAL 49 1HG1 VAL 49 1.196 -7.013 4.131 349 HG12 VAL 49 2HG1 VAL 49 2.387 -7.466 2.911 350 HG13 VAL 49 3HG1 VAL 49 2.500 -8.125 4.543 351 HG21 VAL 49 1HG2 VAL 49 3.848 -5.657 2.414 352 HG22 VAL 49 2HG2 VAL 49 2.378 -4.780 2.839 353 HG23 VAL 49 3HG2 VAL 49 3.924 -4.293 3.531 354 H LEU 50 H LEU 50 0.331 -6.121 6.660 355 HA LEU 50 HA LEU 50 1.684 -7.501 8.855 356 HB2 LEU 50 1HB LEU 50 -1.128 -6.568 8.399 357 HB3 LEU 50 2HB LEU 50 -0.751 -7.734 9.665 358 HG LEU 50 HG LEU 50 -0.815 -5.681 10.769 359 HD11 LEU 50 1HD1 LEU 50 2.092 -5.593 10.226 360 HD12 LEU 50 2HD1 LEU 50 1.430 -7.112 10.828 361 HD13 LEU 50 3HD1 LEU 50 1.222 -5.629 11.760 362 HD21 LEU 50 1HD2 LEU 50 0.827 -4.516 8.523 363 HD22 LEU 50 2HD2 LEU 50 0.287 -3.652 9.964 364 HD23 LEU 50 3HD2 LEU 50 -0.895 -4.249 8.798 365 H GLY 51 H GLY 51 0.384 -9.545 9.610 366 HA2 GLY 51 1HA GLY 51 -0.323 -11.172 7.256 367 HA3 GLY 51 2HA GLY 51 0.866 -11.759 8.408 368 HA PRO 52 HA PRO 52 -3.643 -12.782 9.617 369 HB2 PRO 52 1HB PRO 52 -3.746 -15.356 8.760 370 HB3 PRO 52 2HB PRO 52 -4.244 -13.989 7.757 371 HG2 PRO 52 1HG PRO 52 -1.663 -15.506 7.745 372 HG3 PRO 52 2HG PRO 52 -2.636 -14.941 6.374 373 HD2 PRO 52 1HD PRO 52 -0.425 -13.633 7.227 374 HD3 PRO 52 2HD PRO 52 -1.816 -12.792 6.514 375 H ARG 53 H ARG 53 -0.788 -14.902 9.558 376 HA ARG 53 HA ARG 53 -1.502 -16.030 12.141 377 HB2 ARG 53 1HB ARG 53 1.066 -16.601 10.700 378 HB3 ARG 53 2HB ARG 53 0.135 -17.648 11.763 379 HG2 ARG 53 1HG ARG 53 -0.537 -18.621 9.870 380 HG3 ARG 53 2HG ARG 53 -1.624 -17.238 9.731 381 HD2 ARG 53 1HD ARG 53 0.131 -16.060 8.430 382 HD3 ARG 53 2HD ARG 53 1.106 -17.529 8.485 383 HE ARG 53 HE ARG 53 -1.070 -16.996 6.739 384 HH11 ARG 53 1HH1 ARG 53 0.498 -19.543 8.520 385 HH12 ARG 53 2HH1 ARG 53 -0.020 -20.796 7.441 386 HH21 ARG 53 1HH2 ARG 53 -1.758 -18.637 5.310 387 HH22 ARG 53 2HH2 ARG 53 -1.303 -20.278 5.615 388 H GLY 54 H GLY 54 0.309 -13.433 10.927 389 HA2 GLY 54 1HA GLY 54 1.056 -11.810 12.607 390 HA3 GLY 54 2HA GLY 54 1.681 -13.168 13.532 391 H LEU 55 H LEU 55 2.002 -12.714 10.051 392 HA LEU 55 HA LEU 55 4.913 -12.736 10.394 393 HB2 LEU 55 1HB LEU 55 4.136 -14.458 8.952 394 HB3 LEU 55 2HB LEU 55 3.130 -13.332 8.046 395 HG LEU 55 HG LEU 55 5.402 -12.221 7.423 396 HD11 LEU 55 1HD1 LEU 55 6.256 -14.987 8.259 397 HD12 LEU 55 2HD1 LEU 55 6.835 -13.449 8.899 398 HD13 LEU 55 3HD1 LEU 55 7.214 -13.911 7.240 399 HD21 LEU 55 1HD2 LEU 55 5.248 -13.254 5.401 400 HD22 LEU 55 2HD2 LEU 55 3.700 -13.750 6.082 401 HD23 LEU 55 3HD2 LEU 55 5.071 -14.860 6.107 402 H VAL 56 H VAL 56 6.244 -11.208 9.420 403 HA VAL 56 HA VAL 56 4.875 -8.755 8.524 404 HB VAL 56 HB VAL 56 7.578 -8.924 9.862 405 HG11 VAL 56 1HG1 VAL 56 6.263 -6.373 9.990 406 HG12 VAL 56 2HG1 VAL 56 7.843 -6.786 9.318 407 HG13 VAL 56 3HG1 VAL 56 6.397 -6.907 8.314 408 HG21 VAL 56 1HG2 VAL 56 6.625 -8.396 11.895 409 HG22 VAL 56 2HG2 VAL 56 5.154 -7.755 11.161 410 HG23 VAL 56 3HG2 VAL 56 5.424 -9.497 11.219 411 H GLU 57 H GLU 57 5.231 -8.168 6.492 412 HA GLU 57 HA GLU 57 7.646 -9.187 5.143 413 HB2 GLU 57 1HB GLU 57 5.016 -8.494 3.831 414 HB3 GLU 57 2HB GLU 57 6.407 -9.261 3.078 415 HG2 GLU 57 1HG GLU 57 5.021 -11.051 3.427 416 HG3 GLU 57 2HG GLU 57 6.032 -11.101 4.870 417 HA PRO 58 HA PRO 58 8.840 -4.990 4.533 418 HB2 PRO 58 1HB PRO 58 10.569 -5.355 2.472 419 HB3 PRO 58 2HB PRO 58 10.949 -5.812 4.136 420 HG2 PRO 58 1HG PRO 58 9.998 -7.525 1.873 421 HG3 PRO 58 2HG PRO 58 11.259 -7.857 3.074 422 HD2 PRO 58 1HD PRO 58 8.761 -8.886 3.261 423 HD3 PRO 58 2HD PRO 58 9.734 -8.475 4.689 424 H VAL 59 H VAL 59 9.163 -3.431 2.612 425 HA VAL 59 HA VAL 59 7.343 -3.968 0.392 426 HB VAL 59 HB VAL 59 7.063 -1.525 2.148 427 HG11 VAL 59 1HG1 VAL 59 6.616 -0.953 -0.133 428 HG12 VAL 59 2HG1 VAL 59 5.612 -2.388 -0.349 429 HG13 VAL 59 3HG1 VAL 59 5.073 -1.085 0.711 430 HG21 VAL 59 1HG2 VAL 59 4.797 -2.464 2.614 431 HG22 VAL 59 2HG2 VAL 59 5.305 -3.953 1.816 432 HG23 VAL 59 3HG2 VAL 59 6.124 -3.415 3.282 433 H ASN 60 H ASN 60 7.517 -2.364 -1.339 434 HA ASN 60 HA ASN 60 10.224 -1.220 -1.433 435 HB2 ASN 60 1HB ASN 60 9.838 -2.896 -3.144 436 HB3 ASN 60 2HB ASN 60 8.372 -2.072 -3.667 437 HD21 ASN 60 1HD2 ASN 60 8.518 -0.533 -5.168 438 HD22 ASN 60 2HD2 ASN 60 9.996 0.092 -5.807 439 H VAL 61 H VAL 61 10.548 0.903 -1.888 440 HA VAL 61 HA VAL 61 8.194 2.558 -2.495 441 HB VAL 61 HB VAL 61 10.290 3.187 -0.413 442 HG11 VAL 61 1HG1 VAL 61 7.972 4.938 -0.562 443 HG12 VAL 61 2HG1 VAL 61 9.688 5.336 -0.453 444 HG13 VAL 61 3HG1 VAL 61 8.960 4.984 -2.021 445 HG21 VAL 61 1HG2 VAL 61 8.519 1.551 0.237 446 HG22 VAL 61 2HG2 VAL 61 8.525 3.031 1.197 447 HG23 VAL 61 3HG2 VAL 61 7.319 2.807 -0.072 448 H VAL 62 H VAL 62 8.562 3.479 -4.397 449 HA VAL 62 HA VAL 62 11.138 4.792 -4.856 450 HB VAL 62 HB VAL 62 9.847 2.851 -6.774 451 HG11 VAL 62 1HG1 VAL 62 11.426 5.204 -7.310 452 HG12 VAL 62 2HG1 VAL 62 12.249 3.746 -7.867 453 HG13 VAL 62 3HG1 VAL 62 10.619 4.112 -8.435 454 HG21 VAL 62 1HG2 VAL 62 11.195 1.546 -5.463 455 HG22 VAL 62 2HG2 VAL 62 12.359 2.056 -6.684 456 HG23 VAL 62 3HG2 VAL 62 12.318 2.861 -5.116 457 H ASP 63 H ASP 63 10.849 6.809 -5.529 458 HA ASP 63 HA ASP 63 8.232 7.791 -6.150 459 HB2 ASP 63 1HB ASP 63 10.017 9.072 -4.902 460 HB3 ASP 63 2HB ASP 63 10.849 9.269 -6.441 461 H ASN 64 H ASN 64 7.430 8.531 -8.087 462 HA ASN 64 HA ASN 64 8.578 7.351 -10.451 463 HB2 ASN 64 1HB ASN 64 6.092 9.001 -9.980 464 HB3 ASN 64 2HB ASN 64 6.567 8.411 -11.570 465 HD21 ASN 64 1HD2 ASN 64 5.906 7.321 -8.273 466 HD22 ASN 64 2HD2 ASN 64 5.231 5.797 -8.726 467 H GLY 65 H GLY 65 8.001 10.630 -9.233 468 HA2 GLY 65 1HA GLY 65 9.771 12.275 -9.682 469 HA3 GLY 65 2HA GLY 65 9.866 11.609 -11.305 470 H ASP 66 H ASP 66 6.816 11.421 -11.227 471 HA ASP 66 HA ASP 66 6.380 14.131 -12.220 472 HB2 ASP 66 1HB ASP 66 5.024 11.495 -12.597 473 HB3 ASP 66 2HB ASP 66 4.085 12.966 -12.842 474 H GLY 67 H GLY 67 5.128 11.886 -9.797 475 HA2 GLY 67 1HA GLY 67 4.518 13.603 -7.814 476 HA3 GLY 67 2HA GLY 67 3.134 13.778 -8.881 477 H THR 68 H THR 68 4.905 10.786 -8.368 478 HA THR 68 HA THR 68 2.872 9.753 -6.573 479 HB THR 68 HB THR 68 2.303 7.834 -7.972 480 HG1 THR 68 1HG THR 68 3.405 7.416 -9.727 481 HG21 THR 68 1HG2 THR 68 0.779 8.908 -9.399 482 HG22 THR 68 2HG2 THR 68 1.857 10.279 -9.661 483 HG23 THR 68 3HG2 THR 68 1.056 10.072 -8.104 484 H HIS 69 H HIS 69 3.362 7.272 -6.239 485 HA HIS 69 HA HIS 69 6.232 6.736 -6.357 486 HB2 HIS 69 1HB HIS 69 4.657 6.572 -3.780 487 HB3 HIS 69 2HB HIS 69 6.360 6.174 -3.992 488 HD1 HIS 69 1HD HIS 69 7.902 7.979 -3.325 489 HD2 HIS 69 2HD HIS 69 4.197 9.467 -4.476 490 HE1 HIS 69 1HE HIS 69 8.031 10.462 -2.955 491 HE2 HIS 69 2HE HIS 69 5.750 11.330 -3.576 492 H THR 70 H THR 70 6.644 4.681 -6.866 493 HA THR 70 HA THR 70 4.419 2.834 -7.108 494 HB THR 70 HB THR 70 7.314 2.607 -7.949 495 HG1 THR 70 1HG THR 70 6.182 3.969 -9.300 496 HG21 THR 70 1HG2 THR 70 5.087 0.697 -8.640 497 HG22 THR 70 2HG2 THR 70 6.222 0.412 -7.321 498 HG23 THR 70 3HG2 THR 70 6.810 0.527 -8.980 499 H VAL 71 H VAL 71 4.112 1.001 -5.943 500 HA VAL 71 HA VAL 71 6.115 0.327 -3.893 501 HB VAL 71 HB VAL 71 3.130 0.278 -3.439 502 HG11 VAL 71 1HG1 VAL 71 4.679 -1.345 -2.205 503 HG12 VAL 71 2HG1 VAL 71 5.288 0.080 -1.364 504 HG13 VAL 71 3HG1 VAL 71 3.584 -0.360 -1.235 505 HG21 VAL 71 1HG2 VAL 71 3.903 2.575 -3.629 506 HG22 VAL 71 2HG2 VAL 71 3.498 2.199 -1.954 507 HG23 VAL 71 3HG2 VAL 71 5.186 2.258 -2.461 508 H THR 72 H THR 72 6.901 -1.526 -4.739 509 HA THR 72 HA THR 72 5.050 -3.538 -5.772 510 HB THR 72 HB THR 72 7.098 -4.752 -6.479 511 HG1 THR 72 1HG THR 72 8.503 -2.420 -5.647 512 HG21 THR 72 1HG2 THR 72 5.909 -2.878 -7.819 513 HG22 THR 72 2HG2 THR 72 7.498 -3.428 -8.352 514 HG23 THR 72 3HG2 THR 72 7.344 -1.924 -7.444 515 H TYR 73 H TYR 73 4.849 -5.593 -4.922 516 HA TYR 73 HA TYR 73 6.429 -6.509 -2.720 517 HB2 TYR 73 1HB TYR 73 4.957 -6.298 -0.944 518 HB3 TYR 73 2HB TYR 73 4.687 -4.784 -1.800 519 HD1 TYR 73 2HD TYR 73 3.284 -8.090 -1.023 520 HD2 TYR 73 1HD TYR 73 2.595 -4.338 -2.907 521 HE1 TYR 73 2HE TYR 73 0.887 -8.617 -1.183 522 HE2 TYR 73 1HE TYR 73 0.196 -4.854 -3.071 523 HH TYR 73 HH TYR 73 -1.450 -6.242 -2.236 524 H THR 74 H THR 74 5.504 -8.594 -1.819 525 HA THR 74 HA THR 74 3.718 -9.990 -3.654 526 HB THR 74 HB THR 74 6.505 -10.997 -3.043 527 HG1 THR 74 1HG THR 74 5.314 -9.750 -5.257 528 HG21 THR 74 1HG2 THR 74 4.456 -12.630 -3.252 529 HG22 THR 74 2HG2 THR 74 5.979 -12.995 -4.066 530 HG23 THR 74 3HG2 THR 74 4.636 -12.298 -4.974 531 HA PRO 75 HA PRO 75 2.465 -11.368 0.413 532 HB2 PRO 75 1HB PRO 75 0.266 -12.710 -0.443 533 HB3 PRO 75 2HB PRO 75 0.311 -10.952 -0.268 534 HG2 PRO 75 1HG PRO 75 0.628 -12.618 -2.734 535 HG3 PRO 75 2HG PRO 75 -0.294 -11.121 -2.507 536 HD2 PRO 75 1HD PRO 75 2.153 -11.163 -3.668 537 HD3 PRO 75 2HD PRO 75 1.578 -9.790 -2.701 538 H SER 76 H SER 76 4.199 -12.806 0.782 539 HA SER 76 HA SER 76 4.980 -15.080 -0.367 540 HB2 SER 76 1HB SER 76 5.837 -14.206 1.810 541 HB3 SER 76 2HB SER 76 4.433 -14.917 2.607 542 HG SER 76 HG SER 76 5.321 -16.899 1.328 543 H GLN 77 H GLN 77 2.332 -15.081 2.027 544 HA GLN 77 HA GLN 77 1.245 -17.458 0.666 545 HB2 GLN 77 1HB GLN 77 0.331 -18.142 2.874 546 HB3 GLN 77 2HB GLN 77 2.089 -18.118 2.825 547 HG2 GLN 77 1HG GLN 77 1.781 -15.703 3.777 548 HG3 GLN 77 2HG GLN 77 0.208 -16.325 4.273 549 HE21 GLN 77 1HE2 GLN 77 1.623 -15.586 6.290 550 HE22 GLN 77 2HE2 GLN 77 2.373 -16.903 7.119 551 H GLU 78 H GLU 78 -1.149 -17.759 1.151 552 HA GLU 78 HA GLU 78 -2.485 -15.263 0.525 553 HB2 GLU 78 1HB GLU 78 -4.384 -16.604 -0.056 554 HB3 GLU 78 2HB GLU 78 -2.955 -17.386 -0.714 555 HG2 GLU 78 1HG GLU 78 -4.214 -19.127 0.172 556 HG3 GLU 78 2HG GLU 78 -2.975 -18.822 1.388 557 H GLY 79 H GLY 79 -4.719 -14.939 1.552 558 HA2 GLY 79 1HA GLY 79 -5.969 -15.535 3.667 559 HA3 GLY 79 2HA GLY 79 -4.424 -15.297 4.470 560 HA PRO 80 HA PRO 80 -6.942 -11.320 4.389 561 HB2 PRO 80 1HB PRO 80 -7.184 -11.057 7.081 562 HB3 PRO 80 2HB PRO 80 -8.354 -11.940 6.093 563 HG2 PRO 80 1HG PRO 80 -6.098 -12.994 7.755 564 HG3 PRO 80 2HG PRO 80 -7.754 -13.606 7.600 565 HD2 PRO 80 1HD PRO 80 -5.662 -14.718 6.290 566 HD3 PRO 80 2HD PRO 80 -7.304 -14.687 5.615 567 H TYR 81 H TYR 81 -5.033 -10.316 3.650 568 HA TYR 81 HA TYR 81 -2.961 -9.717 5.620 569 HB2 TYR 81 1HB TYR 81 -3.133 -9.675 2.653 570 HB3 TYR 81 2HB TYR 81 -2.053 -8.507 3.406 571 HD1 TYR 81 1HD TYR 81 -2.883 -12.127 3.892 572 HD2 TYR 81 2HD TYR 81 0.146 -9.169 3.477 573 HE1 TYR 81 1HE TYR 81 -1.161 -13.869 4.108 574 HE2 TYR 81 2HE TYR 81 1.877 -10.904 3.691 575 HH TYR 81 HH TYR 81 1.239 -14.009 4.800 576 H MET 82 H MET 82 -2.039 -7.411 5.434 577 HA MET 82 HA MET 82 -4.070 -5.383 4.956 578 HB2 MET 82 1HB MET 82 -4.365 -6.139 7.320 579 HB3 MET 82 2HB MET 82 -2.716 -5.624 7.646 580 HG2 MET 82 1HG MET 82 -3.238 -3.407 7.559 581 HG3 MET 82 2HG MET 82 -4.591 -3.655 6.458 582 HE1 MET 82 1HE MET 82 -3.888 -4.423 10.644 583 HE2 MET 82 2HE MET 82 -3.204 -3.137 9.650 584 HE3 MET 82 3HE MET 82 -4.586 -2.803 10.695 585 H VAL 83 H VAL 83 -3.130 -3.806 3.854 586 HA VAL 83 HA VAL 83 -0.233 -3.399 4.155 587 HB VAL 83 HB VAL 83 -2.073 -2.573 1.905 588 HG11 VAL 83 1HG1 VAL 83 0.741 -2.480 1.303 589 HG12 VAL 83 2HG1 VAL 83 -0.484 -1.219 1.142 590 HG13 VAL 83 3HG1 VAL 83 0.362 -1.439 2.675 591 HG21 VAL 83 1HG2 VAL 83 -1.584 -5.006 2.079 592 HG22 VAL 83 2HG2 VAL 83 -0.976 -4.265 0.599 593 HG23 VAL 83 3HG2 VAL 83 0.132 -4.630 1.920 594 H SER 84 H SER 84 -0.091 -1.993 5.856 595 HA SER 84 HA SER 84 -1.790 0.316 6.065 596 HB2 SER 84 1HB SER 84 -0.996 -0.713 8.105 597 HB3 SER 84 2HB SER 84 0.682 -0.514 7.601 598 HG SER 84 HG SER 84 -1.161 1.579 8.139 599 H VAL 85 H VAL 85 -1.146 2.497 5.904 600 HA VAL 85 HA VAL 85 1.410 3.035 4.580 601 HB VAL 85 HB VAL 85 -1.257 3.979 3.517 602 HG11 VAL 85 1HG1 VAL 85 1.269 5.215 3.378 603 HG12 VAL 85 2HG1 VAL 85 0.956 4.516 1.788 604 HG13 VAL 85 3HG1 VAL 85 -0.199 5.644 2.501 605 HG21 VAL 85 1HG2 VAL 85 -1.151 2.378 1.948 606 HG22 VAL 85 2HG2 VAL 85 0.592 2.553 1.746 607 HG23 VAL 85 3HG2 VAL 85 -0.048 1.576 3.067 608 H LYS 86 H LYS 86 2.360 4.868 5.251 609 HA LYS 86 HA LYS 86 0.743 6.769 6.816 610 HB2 LYS 86 1HB LYS 86 2.498 5.162 8.002 611 HB3 LYS 86 2HB LYS 86 3.630 6.394 7.461 612 HG2 LYS 86 1HG LYS 86 2.573 8.069 8.742 613 HG3 LYS 86 2HG LYS 86 1.163 7.052 9.042 614 HD2 LYS 86 1HD LYS 86 2.754 5.469 10.240 615 HD3 LYS 86 2HD LYS 86 3.937 6.777 10.173 616 HE2 LYS 86 1HE LYS 86 2.265 8.238 11.316 617 HE3 LYS 86 2HE LYS 86 1.238 6.820 11.515 618 HZ1 LYS 86 1HZ LYS 86 3.248 7.662 13.200 619 HZ2 LYS 86 2HZ LYS 86 3.873 6.294 12.426 620 HZ3 LYS 86 3HZ LYS 86 2.410 6.193 13.271 621 H TYR 87 H TYR 87 1.943 8.915 7.084 622 HA TYR 87 HA TYR 87 3.769 9.621 4.967 623 HB2 TYR 87 1HB TYR 87 1.308 9.656 4.068 624 HB3 TYR 87 2HB TYR 87 1.200 11.164 4.968 625 HD1 TYR 87 1HD TYR 87 3.375 9.463 2.453 626 HD2 TYR 87 2HD TYR 87 1.800 13.136 3.913 627 HE1 TYR 87 1HE TYR 87 4.417 10.653 0.569 628 HE2 TYR 87 2HE TYR 87 2.837 14.335 2.033 629 HH TYR 87 HH TYR 87 4.132 12.739 -0.675 630 H ALA 88 H ALA 88 5.201 10.791 6.051 631 HA ALA 88 HA ALA 88 6.139 12.346 7.422 632 HB1 ALA 88 1HB ALA 88 3.555 13.856 7.452 633 HB2 ALA 88 2HB ALA 88 5.209 14.470 7.441 634 HB3 ALA 88 3HB ALA 88 4.523 13.756 5.981 635 H ASP 89 H ASP 89 4.868 10.083 8.628 636 HA ASP 89 HA ASP 89 4.492 9.309 10.740 637 HB2 ASP 89 1HB ASP 89 4.635 12.130 11.783 638 HB3 ASP 89 2HB ASP 89 5.028 10.631 12.619 639 H GLU 90 H GLU 90 2.381 10.220 8.944 640 HA GLU 90 HA GLU 90 0.255 10.474 10.943 641 HB2 GLU 90 1HB GLU 90 0.538 12.184 8.469 642 HB3 GLU 90 2HB GLU 90 -0.942 12.064 9.410 643 HG2 GLU 90 1HG GLU 90 0.644 12.735 11.390 644 HG3 GLU 90 2HG GLU 90 1.633 13.383 10.084 645 H GLU 91 H GLU 91 -0.726 8.561 10.716 646 HA GLU 91 HA GLU 91 -0.807 6.980 8.427 647 HB2 GLU 91 1HB GLU 91 -2.280 7.062 10.994 648 HB3 GLU 91 2HB GLU 91 -3.055 6.178 9.686 649 HG2 GLU 91 1HG GLU 91 -1.350 4.614 9.558 650 HG3 GLU 91 2HG GLU 91 -0.195 5.661 10.382 651 H ILE 92 H ILE 92 -1.643 7.503 6.522 652 HA ILE 92 HA ILE 92 -3.397 9.542 5.945 653 HB ILE 92 HB ILE 92 -3.838 8.445 3.808 654 HG12 ILE 92 1HG1 ILE 92 -2.294 6.074 4.863 655 HG13 ILE 92 2HG1 ILE 92 -4.052 6.136 4.836 656 HG21 ILE 92 1HG2 ILE 92 -1.020 8.356 4.843 657 HG22 ILE 92 2HG2 ILE 92 -1.411 8.030 3.156 658 HG23 ILE 92 3HG2 ILE 92 -1.793 9.601 3.862 659 HD11 ILE 92 1HD1 ILE 92 -3.334 6.812 2.261 660 HD12 ILE 92 2HD1 ILE 92 -2.182 5.553 2.710 661 HD13 ILE 92 3HD1 ILE 92 -3.915 5.241 2.814 662 HA PRO 93 HA PRO 93 -7.419 8.287 7.188 663 HB2 PRO 93 1HB PRO 93 -8.937 9.490 5.286 664 HB3 PRO 93 2HB PRO 93 -8.125 10.386 6.576 665 HG2 PRO 93 1HG PRO 93 -7.285 9.982 3.731 666 HG3 PRO 93 2HG PRO 93 -7.233 11.456 4.714 667 HD2 PRO 93 1HD PRO 93 -5.046 9.921 4.272 668 HD3 PRO 93 2HD PRO 93 -5.288 10.826 5.780 669 H ARG 94 H ARG 94 -5.902 6.990 4.585 670 HA ARG 94 HA ARG 94 -8.235 5.356 3.826 671 HB2 ARG 94 1HB ARG 94 -5.766 6.083 2.245 672 HB3 ARG 94 2HB ARG 94 -6.922 4.861 1.734 673 HG2 ARG 94 1HG ARG 94 -7.720 7.698 2.307 674 HG3 ARG 94 2HG ARG 94 -7.173 7.161 0.718 675 HD2 ARG 94 1HD ARG 94 -9.400 5.765 2.166 676 HD3 ARG 94 2HD ARG 94 -9.699 7.199 1.185 677 HE ARG 94 HE ARG 94 -8.270 5.492 -0.426 678 HH11 ARG 94 1HH1 ARG 94 -11.286 5.380 1.309 679 HH12 ARG 94 2HH1 ARG 94 -12.041 4.297 0.188 680 HH21 ARG 94 1HH2 ARG 94 -9.252 4.064 -1.909 681 HH22 ARG 94 2HH2 ARG 94 -10.883 3.547 -1.641 682 H SER 95 H SER 95 -5.550 5.305 5.693 683 HA SER 95 HA SER 95 -5.068 2.435 5.233 684 HB2 SER 95 1HB SER 95 -2.946 3.249 4.994 685 HB3 SER 95 2HB SER 95 -3.274 4.684 5.964 686 HG SER 95 HG SER 95 -2.764 3.621 7.747 687 HA PRO 96 HA PRO 96 -3.616 1.015 6.490 688 HB2 PRO 96 1HB PRO 96 -4.522 -1.418 7.284 689 HB3 PRO 96 2HB PRO 96 -3.401 -0.448 8.248 690 HG2 PRO 96 1HG PRO 96 -6.365 -0.753 8.529 691 HG3 PRO 96 2HG PRO 96 -5.118 -0.734 9.789 692 HD2 PRO 96 1HD PRO 96 -6.646 1.428 9.219 693 HD3 PRO 96 2HD PRO 96 -4.969 1.566 9.782 694 H PHE 97 H PHE 97 -4.055 -1.012 5.052 695 HA PHE 97 HA PHE 97 -6.639 -0.633 3.685 696 HB2 PHE 97 1HB PHE 97 -3.897 -1.106 2.513 697 HB3 PHE 97 2HB PHE 97 -5.381 -1.306 1.586 698 HD1 PHE 97 1HD PHE 97 -6.817 0.645 1.119 699 HD2 PHE 97 2HD PHE 97 -3.019 1.043 2.999 700 HE1 PHE 97 1HE PHE 97 -6.813 3.049 0.593 701 HE2 PHE 97 2HE PHE 97 -3.009 3.447 2.477 702 HZ PHE 97 HZ PHE 97 -4.907 4.453 1.273 703 H LYS 98 H LYS 98 -7.888 -2.367 3.757 704 HA LYS 98 HA LYS 98 -6.888 -4.912 4.613 705 HB2 LYS 98 1HB LYS 98 -9.202 -5.660 4.425 706 HB3 LYS 98 2HB LYS 98 -9.119 -4.116 5.264 707 HG2 LYS 98 1HG LYS 98 -9.534 -3.164 2.843 708 HG3 LYS 98 2HG LYS 98 -10.225 -4.768 2.585 709 HD2 LYS 98 1HD LYS 98 -11.014 -3.211 5.006 710 HD3 LYS 98 2HD LYS 98 -11.719 -2.790 3.442 711 HE2 LYS 98 1HE LYS 98 -13.243 -4.327 4.217 712 HE3 LYS 98 2HE LYS 98 -12.161 -5.363 3.287 713 HZ1 LYS 98 1HZ LYS 98 -12.407 -6.487 5.277 714 HZ2 LYS 98 2HZ LYS 98 -12.382 -5.079 6.213 715 HZ3 LYS 98 3HZ LYS 98 -10.953 -5.656 5.516 716 H VAL 99 H VAL 99 -5.897 -6.310 3.330 717 HA VAL 99 HA VAL 99 -6.833 -6.585 0.552 718 HB VAL 99 HB VAL 99 -3.957 -6.649 1.475 719 HG11 VAL 99 1HG1 VAL 99 -3.716 -8.079 -0.238 720 HG12 VAL 99 2HG1 VAL 99 -5.290 -7.674 -0.926 721 HG13 VAL 99 3HG1 VAL 99 -3.894 -6.643 -1.247 722 HG21 VAL 99 1HG2 VAL 99 -5.431 -4.720 -0.315 723 HG22 VAL 99 2HG2 VAL 99 -4.829 -4.388 1.309 724 HG23 VAL 99 3HG2 VAL 99 -3.695 -4.702 -0.006 725 H LYS 100 H LYS 100 -7.912 -8.473 0.678 726 HA LYS 100 HA LYS 100 -6.865 -10.697 2.212 727 HB2 LYS 100 1HB LYS 100 -9.336 -10.069 1.989 728 HB3 LYS 100 2HB LYS 100 -9.250 -10.756 0.372 729 HG2 LYS 100 1HG LYS 100 -8.460 -12.890 1.418 730 HG3 LYS 100 2HG LYS 100 -8.821 -12.171 2.990 731 HD2 LYS 100 1HD LYS 100 -11.095 -12.207 2.635 732 HD3 LYS 100 2HD LYS 100 -10.927 -12.164 0.878 733 HE2 LYS 100 1HE LYS 100 -11.587 -14.340 1.203 734 HE3 LYS 100 2HE LYS 100 -9.833 -14.515 1.228 735 HZ1 LYS 100 1HZ LYS 100 -11.753 -14.714 3.431 736 HZ2 LYS 100 2HZ LYS 100 -10.205 -14.125 3.777 737 HZ3 LYS 100 3HZ LYS 100 -10.393 -15.663 3.097 738 H VAL 101 H VAL 101 -5.114 -11.618 1.301 739 HA VAL 101 HA VAL 101 -4.704 -11.871 -1.494 740 HB VAL 101 HB VAL 101 -3.384 -13.443 0.724 741 HG11 VAL 101 1HG1 VAL 101 -2.982 -14.473 -1.401 742 HG12 VAL 101 2HG1 VAL 101 -2.595 -12.916 -2.138 743 HG13 VAL 101 3HG1 VAL 101 -1.520 -13.610 -0.924 744 HG21 VAL 101 1HG2 VAL 101 -2.309 -10.961 -0.585 745 HG22 VAL 101 2HG2 VAL 101 -3.295 -10.899 0.876 746 HG23 VAL 101 3HG2 VAL 101 -1.754 -11.758 0.887 747 H LEU 102 H LEU 102 -4.828 -13.683 -2.826 748 HA LEU 102 HA LEU 102 -6.523 -15.867 -1.804 749 HB2 LEU 102 1HB LEU 102 -6.444 -14.550 -4.505 750 HB3 LEU 102 2HB LEU 102 -7.217 -16.110 -4.233 751 HG LEU 102 HG LEU 102 -8.016 -13.610 -2.757 752 HD11 LEU 102 1HD1 LEU 102 -8.919 -14.667 -5.411 753 HD12 LEU 102 2HD1 LEU 102 -8.477 -13.021 -4.963 754 HD13 LEU 102 3HD1 LEU 102 -9.992 -13.712 -4.388 755 HD21 LEU 102 1HD2 LEU 102 -9.410 -16.243 -3.225 756 HD22 LEU 102 2HD2 LEU 102 -10.066 -14.867 -2.335 757 HD23 LEU 102 3HD2 LEU 102 -8.652 -15.726 -1.719 758 HA PRO 103 HA PRO 103 -3.431 -18.774 -2.926 759 HB2 PRO 103 1HB PRO 103 -4.946 -20.898 -3.674 760 HB3 PRO 103 2HB PRO 103 -4.774 -20.387 -1.991 761 HG2 PRO 103 1HG PRO 103 -6.998 -19.839 -3.920 762 HG3 PRO 103 2HG PRO 103 -7.087 -20.294 -2.208 763 HD2 PRO 103 1HD PRO 103 -7.395 -17.741 -3.054 764 HD3 PRO 103 2HD PRO 103 -6.671 -18.146 -1.485 765 H THR 104 H THR 104 -2.180 -18.742 -4.675 766 HA THR 104 HA THR 104 -2.701 -17.842 -7.159 767 HB THR 104 HB THR 104 -0.838 -20.074 -6.362 768 HG1 THR 104 1HG THR 104 0.610 -18.160 -7.028 769 HG21 THR 104 1HG2 THR 104 -1.444 -20.332 -8.742 770 HG22 THR 104 2HG2 THR 104 0.241 -19.859 -8.529 771 HG23 THR 104 3HG2 THR 104 -0.955 -18.663 -9.029 772 H TYR 105 H TYR 105 -3.589 -20.974 -5.900 773 HA TYR 105 HA TYR 105 -4.690 -21.720 -8.524 774 HB2 TYR 105 1HB TYR 105 -4.336 -23.576 -6.176 775 HB3 TYR 105 2HB TYR 105 -4.564 -23.995 -7.871 776 HD1 TYR 105 1HD TYR 105 -2.163 -22.837 -5.354 777 HD2 TYR 105 2HD TYR 105 -2.711 -23.924 -9.431 778 HE1 TYR 105 1HE TYR 105 0.277 -22.968 -5.642 779 HE2 TYR 105 2HE TYR 105 -0.274 -24.059 -9.729 780 HH TYR 105 HH TYR 105 1.776 -24.516 -7.941 781 H ASP 106 H ASP 106 -6.832 -22.165 -8.767 782 HA ASP 106 HA ASP 106 -8.549 -21.574 -6.451 783 HB2 ASP 106 1HB ASP 106 -10.288 -21.261 -8.399 784 HB3 ASP 106 2HB ASP 106 -9.142 -19.980 -8.015 785 H ALA 107 H ALA 107 -8.387 -23.767 -5.710 786 HA ALA 107 HA ALA 107 -9.265 -25.948 -7.334 787 HB1 ALA 107 1HB ALA 107 -7.781 -25.845 -5.124 788 HB2 ALA 107 2HB ALA 107 -9.345 -26.189 -4.384 789 HB3 ALA 107 3HB ALA 107 -8.683 -27.286 -5.597 790 H SER 108 H SER 108 -11.304 -25.302 -8.121 791 HA SER 108 HA SER 108 -13.461 -25.531 -6.130 792 HB2 SER 108 1HB SER 108 -13.197 -23.549 -8.387 793 HB3 SER 108 2HB SER 108 -14.763 -23.948 -7.680 794 HG SER 108 HG SER 108 -13.818 -22.130 -6.671 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -4.372 37.786 0.550 2 HA2 GLY 1 1HA GLY 1 -7.173 38.519 1.137 3 HA3 GLY 1 2HA GLY 1 -6.603 38.286 -0.510 4 H SER 2 H SER 2 -5.276 36.045 -0.601 5 HA SER 2 HA SER 2 -6.511 33.938 0.931 6 HB2 SER 2 1HB SER 2 -7.430 32.773 -1.080 7 HB3 SER 2 2HB SER 2 -8.273 34.274 -0.695 8 HG SER 2 HG SER 2 -7.854 34.767 -2.691 9 H SER 3 H SER 3 -4.746 32.820 1.432 10 HA SER 3 HA SER 3 -2.462 32.683 -0.300 11 HB2 SER 3 1HB SER 3 -1.451 31.338 1.456 12 HB3 SER 3 2HB SER 3 -2.273 32.719 2.179 13 HG SER 3 HG SER 3 -2.598 30.301 2.904 14 H GLY 4 H GLY 4 -1.723 30.979 -1.506 15 HA2 GLY 4 1HA GLY 4 -3.716 28.931 -2.130 16 HA3 GLY 4 2HA GLY 4 -2.306 29.334 -3.098 17 H SER 5 H SER 5 -0.160 28.865 -1.932 18 HA SER 5 HA SER 5 -0.370 26.394 -0.356 19 HB2 SER 5 1HB SER 5 0.067 25.848 -2.752 20 HB3 SER 5 2HB SER 5 1.557 26.788 -2.658 21 HG SER 5 HG SER 5 1.806 24.485 -2.308 22 H SER 6 H SER 6 0.235 27.415 1.531 23 HA SER 6 HA SER 6 2.685 28.978 1.598 24 HB2 SER 6 1HB SER 6 0.462 29.405 2.933 25 HB3 SER 6 2HB SER 6 1.144 28.230 4.057 26 HG SER 6 HG SER 6 1.944 30.109 4.768 27 H GLY 7 H GLY 7 3.142 26.346 0.838 28 HA2 GLY 7 1HA GLY 7 4.443 24.519 1.330 29 HA3 GLY 7 2HA GLY 7 5.248 25.583 2.473 30 H VAL 8 H VAL 8 2.119 23.882 2.239 31 HA VAL 8 HA VAL 8 2.529 22.988 5.020 32 HB VAL 8 HB VAL 8 0.663 24.587 4.817 33 HG11 VAL 8 1HG1 VAL 8 -1.391 23.868 3.623 34 HG12 VAL 8 2HG1 VAL 8 -0.028 24.182 2.548 35 HG13 VAL 8 3HG1 VAL 8 -0.481 22.522 2.940 36 HG21 VAL 8 1HG2 VAL 8 -0.793 23.418 6.193 37 HG22 VAL 8 2HG2 VAL 8 -0.557 21.900 5.328 38 HG23 VAL 8 3HG2 VAL 8 0.715 22.522 6.380 39 H VAL 9 H VAL 9 1.951 20.878 5.555 40 HA VAL 9 HA VAL 9 1.764 19.059 3.257 41 HB VAL 9 HB VAL 9 2.646 18.549 6.099 42 HG11 VAL 9 1HG1 VAL 9 1.511 16.585 5.349 43 HG12 VAL 9 2HG1 VAL 9 2.324 16.646 3.784 44 HG13 VAL 9 3HG1 VAL 9 3.244 16.278 5.244 45 HG21 VAL 9 1HG2 VAL 9 4.082 19.702 4.150 46 HG22 VAL 9 2HG2 VAL 9 4.790 18.650 5.375 47 HG23 VAL 9 3HG2 VAL 9 4.396 18.007 3.781 48 H ASP 10 H ASP 10 0.092 17.679 3.000 49 HA ASP 10 HA ASP 10 -1.916 17.513 5.141 50 HB2 ASP 10 1HB ASP 10 -2.412 18.084 2.218 51 HB3 ASP 10 2HB ASP 10 -3.677 17.557 3.324 52 HA PRO 11 HA PRO 11 -0.876 13.239 4.008 53 HB2 PRO 11 1HB PRO 11 -1.668 12.200 6.387 54 HB3 PRO 11 2HB PRO 11 -0.084 12.945 6.145 55 HG2 PRO 11 1HG PRO 11 -2.558 14.108 7.363 56 HG3 PRO 11 2HG PRO 11 -0.875 14.239 7.906 57 HD2 PRO 11 1HD PRO 11 -2.121 16.215 6.537 58 HD3 PRO 11 2HD PRO 11 -0.381 15.898 6.386 59 H SER 12 H SER 12 -3.739 14.887 4.464 60 HA SER 12 HA SER 12 -5.408 12.491 4.182 61 HB2 SER 12 1HB SER 12 -7.259 13.804 4.873 62 HB3 SER 12 2HB SER 12 -5.928 14.287 5.923 63 HG SER 12 HG SER 12 -6.968 15.665 3.678 64 H LYS 13 H LYS 13 -3.692 13.960 2.104 65 HA LYS 13 HA LYS 13 -5.828 14.275 0.096 66 HB2 LYS 13 1HB LYS 13 -3.138 15.650 0.065 67 HB3 LYS 13 2HB LYS 13 -4.470 15.910 -1.053 68 HG2 LYS 13 1HG LYS 13 -4.963 16.374 1.838 69 HG3 LYS 13 2HG LYS 13 -3.993 17.553 0.952 70 HD2 LYS 13 1HD LYS 13 -6.069 18.432 0.592 71 HD3 LYS 13 2HD LYS 13 -5.982 17.332 -0.786 72 HE2 LYS 13 1HE LYS 13 -7.338 15.727 0.280 73 HE3 LYS 13 2HE LYS 13 -7.153 16.500 1.854 74 HZ1 LYS 13 1HZ LYS 13 -9.100 17.448 1.395 75 HZ2 LYS 13 2HZ LYS 13 -9.023 17.064 -0.250 76 HZ3 LYS 13 3HZ LYS 13 -8.250 18.452 0.331 77 H VAL 14 H VAL 14 -3.254 12.418 1.097 78 HA VAL 14 HA VAL 14 -2.291 11.665 -1.528 79 HB VAL 14 HB VAL 14 -0.624 11.612 0.145 80 HG11 VAL 14 1HG1 VAL 14 -1.708 11.594 2.188 81 HG12 VAL 14 2HG1 VAL 14 -2.690 10.188 1.772 82 HG13 VAL 14 3HG1 VAL 14 -0.977 9.990 2.142 83 HG21 VAL 14 1HG2 VAL 14 -1.128 8.711 0.193 84 HG22 VAL 14 2HG2 VAL 14 -1.124 9.460 -1.404 85 HG23 VAL 14 3HG2 VAL 14 0.286 9.609 -0.355 86 H LYS 15 H LYS 15 -3.045 10.056 -2.743 87 HA LYS 15 HA LYS 15 -4.822 8.067 -1.489 88 HB2 LYS 15 1HB LYS 15 -5.107 9.235 -4.263 89 HB3 LYS 15 2HB LYS 15 -6.164 8.039 -3.528 90 HG2 LYS 15 1HG LYS 15 -7.211 9.566 -2.204 91 HG3 LYS 15 2HG LYS 15 -5.797 10.620 -2.111 92 HD2 LYS 15 1HD LYS 15 -7.368 11.784 -3.428 93 HD3 LYS 15 2HD LYS 15 -6.194 11.122 -4.569 94 HE2 LYS 15 1HE LYS 15 -7.828 9.132 -4.743 95 HE3 LYS 15 2HE LYS 15 -9.001 10.227 -4.009 96 HZ1 LYS 15 1HZ LYS 15 -7.489 10.794 -6.502 97 HZ2 LYS 15 2HZ LYS 15 -8.703 11.757 -5.821 98 HZ3 LYS 15 3HZ LYS 15 -9.084 10.233 -6.449 99 H ILE 16 H ILE 16 -5.061 6.069 -2.891 100 HA ILE 16 HA ILE 16 -2.699 5.475 -4.500 101 HB ILE 16 HB ILE 16 -2.084 3.515 -3.304 102 HG12 ILE 16 1HG1 ILE 16 -4.476 4.047 -1.529 103 HG13 ILE 16 2HG1 ILE 16 -4.315 2.732 -2.688 104 HG21 ILE 16 1HG2 ILE 16 -2.529 5.841 -1.445 105 HG22 ILE 16 2HG2 ILE 16 -1.547 4.435 -1.035 106 HG23 ILE 16 3HG2 ILE 16 -1.083 5.470 -2.385 107 HD11 ILE 16 1HD1 ILE 16 -3.001 3.091 -0.039 108 HD12 ILE 16 2HD1 ILE 16 -3.839 1.687 -0.701 109 HD13 ILE 16 3HD1 ILE 16 -2.227 2.105 -1.279 110 H ALA 17 H ALA 17 -3.119 4.138 -6.165 111 HA ALA 17 HA ALA 17 -5.528 2.480 -6.107 112 HB1 ALA 17 1HB ALA 17 -6.307 3.279 -8.248 113 HB2 ALA 17 2HB ALA 17 -6.170 4.636 -7.128 114 HB3 ALA 17 3HB ALA 17 -4.939 4.388 -8.367 115 H GLY 18 H GLY 18 -5.202 0.524 -6.976 116 HA2 GLY 18 1HA GLY 18 -3.693 -0.080 -9.236 117 HA3 GLY 18 2HA GLY 18 -2.623 -0.255 -7.853 118 HA PRO 19 HA PRO 19 -5.269 -4.119 -8.617 119 HB2 PRO 19 1HB PRO 19 -3.294 -5.739 -9.536 120 HB3 PRO 19 2HB PRO 19 -4.291 -4.741 -10.602 121 HG2 PRO 19 1HG PRO 19 -1.534 -4.225 -9.554 122 HG3 PRO 19 2HG PRO 19 -2.175 -3.972 -11.187 123 HD2 PRO 19 1HD PRO 19 -1.882 -1.952 -9.408 124 HD3 PRO 19 2HD PRO 19 -3.180 -1.976 -10.621 125 H GLY 20 H GLY 20 -2.021 -3.595 -7.337 126 HA2 GLY 20 1HA GLY 20 -1.728 -5.882 -5.785 127 HA3 GLY 20 2HA GLY 20 -1.022 -4.318 -5.402 128 H LEU 21 H LEU 21 -3.321 -2.824 -4.946 129 HA LEU 21 HA LEU 21 -3.987 -3.724 -2.299 130 HB2 LEU 21 1HB LEU 21 -5.162 -1.386 -3.784 131 HB3 LEU 21 2HB LEU 21 -5.106 -1.636 -2.040 132 HG LEU 21 HG LEU 21 -2.533 -1.431 -3.526 133 HD11 LEU 21 1HD1 LEU 21 -2.792 1.117 -2.948 134 HD12 LEU 21 2HD1 LEU 21 -4.508 0.765 -3.154 135 HD13 LEU 21 3HD1 LEU 21 -3.383 0.469 -4.479 136 HD21 LEU 21 1HD2 LEU 21 -1.810 -0.400 -1.447 137 HD22 LEU 21 2HD2 LEU 21 -2.582 -1.954 -1.131 138 HD23 LEU 21 3HD2 LEU 21 -3.460 -0.454 -0.826 139 H GLY 22 H GLY 22 -5.470 -3.804 -5.434 140 HA2 GLY 22 1HA GLY 22 -8.158 -3.986 -4.885 141 HA3 GLY 22 2HA GLY 22 -7.361 -4.892 -6.163 142 H SER 23 H SER 23 -9.488 -6.065 -5.104 143 HA SER 23 HA SER 23 -8.718 -7.787 -2.901 144 HB2 SER 23 1HB SER 23 -11.246 -7.665 -4.562 145 HB3 SER 23 2HB SER 23 -11.009 -8.732 -3.178 146 HG SER 23 HG SER 23 -11.782 -7.078 -2.120 147 H GLY 24 H GLY 24 -8.620 -7.831 -6.316 148 HA2 GLY 24 1HA GLY 24 -8.679 -10.714 -6.572 149 HA3 GLY 24 2HA GLY 24 -8.358 -9.556 -7.855 150 H VAL 25 H VAL 25 -6.728 -10.051 -4.737 151 HA VAL 25 HA VAL 25 -4.177 -10.168 -6.157 152 HB VAL 25 HB VAL 25 -4.677 -10.021 -3.182 153 HG11 VAL 25 1HG1 VAL 25 -2.405 -10.806 -4.421 154 HG12 VAL 25 2HG1 VAL 25 -2.148 -9.062 -4.338 155 HG13 VAL 25 3HG1 VAL 25 -2.450 -9.983 -2.863 156 HG21 VAL 25 1HG2 VAL 25 -5.142 -8.048 -5.089 157 HG22 VAL 25 2HG2 VAL 25 -4.979 -7.820 -3.348 158 HG23 VAL 25 3HG2 VAL 25 -3.571 -7.644 -4.396 159 H ARG 26 H ARG 26 -2.772 -11.882 -6.050 160 HA ARG 26 HA ARG 26 -3.831 -14.345 -4.827 161 HB2 ARG 26 1HB ARG 26 -2.089 -14.111 -7.286 162 HB3 ARG 26 2HB ARG 26 -2.719 -15.603 -6.600 163 HG2 ARG 26 1HG ARG 26 -4.951 -15.019 -7.177 164 HG3 ARG 26 2HG ARG 26 -4.467 -13.383 -7.628 165 HD2 ARG 26 1HD ARG 26 -3.159 -15.662 -9.015 166 HD3 ARG 26 2HD ARG 26 -4.832 -15.291 -9.431 167 HE ARG 26 HE ARG 26 -3.558 -12.886 -9.563 168 HH11 ARG 26 1HH1 ARG 26 -3.056 -16.007 -11.023 169 HH12 ARG 26 2HH1 ARG 26 -2.354 -15.362 -12.470 170 HH21 ARG 26 1HH2 ARG 26 -2.635 -12.026 -11.463 171 HH22 ARG 26 2HH2 ARG 26 -2.114 -13.098 -12.718 172 H ALA 27 H ALA 27 -2.199 -15.918 -4.146 173 HA ALA 27 HA ALA 27 -0.095 -14.626 -2.674 174 HB1 ALA 27 1HB ALA 27 -1.404 -16.473 -1.716 175 HB2 ALA 27 2HB ALA 27 -0.724 -17.565 -2.922 176 HB3 ALA 27 3HB ALA 27 0.326 -16.814 -1.721 177 H ARG 28 H ARG 28 2.135 -15.023 -2.845 178 HA ARG 28 HA ARG 28 4.102 -15.201 -3.978 179 HB2 ARG 28 1HB ARG 28 2.670 -17.587 -5.159 180 HB3 ARG 28 2HB ARG 28 4.387 -17.262 -5.355 181 HG2 ARG 28 1HG ARG 28 4.338 -17.195 -2.727 182 HG3 ARG 28 2HG ARG 28 2.889 -18.175 -2.959 183 HD2 ARG 28 1HD ARG 28 5.384 -18.881 -4.433 184 HD3 ARG 28 2HD ARG 28 5.247 -19.299 -2.726 185 HE ARG 28 HE ARG 28 3.796 -20.475 -4.933 186 HH11 ARG 28 1HH1 ARG 28 3.979 -20.010 -1.488 187 HH12 ARG 28 2HH1 ARG 28 3.012 -21.398 -1.117 188 HH21 ARG 28 1HH2 ARG 28 2.521 -22.305 -4.459 189 HH22 ARG 28 2HH2 ARG 28 2.183 -22.704 -2.808 190 H VAL 29 H VAL 29 2.026 -13.513 -5.103 191 HA VAL 29 HA VAL 29 2.825 -13.600 -7.940 192 HB VAL 29 HB VAL 29 0.219 -12.564 -6.815 193 HG11 VAL 29 1HG1 VAL 29 0.656 -12.972 -9.721 194 HG12 VAL 29 2HG1 VAL 29 -0.343 -11.785 -8.880 195 HG13 VAL 29 3HG1 VAL 29 1.405 -11.562 -8.973 196 HG21 VAL 29 1HG2 VAL 29 1.037 -15.146 -8.019 197 HG22 VAL 29 2HG2 VAL 29 -0.176 -14.805 -6.784 198 HG23 VAL 29 3HG2 VAL 29 -0.536 -14.496 -8.483 199 H LEU 30 H LEU 30 3.540 -11.736 -8.873 200 HA LEU 30 HA LEU 30 4.576 -9.710 -7.197 201 HB2 LEU 30 1HB LEU 30 5.589 -10.337 -9.333 202 HB3 LEU 30 2HB LEU 30 4.179 -9.714 -10.186 203 HG LEU 30 HG LEU 30 4.848 -7.475 -8.967 204 HD11 LEU 30 1HD1 LEU 30 6.719 -8.777 -7.774 205 HD12 LEU 30 2HD1 LEU 30 7.100 -7.200 -8.462 206 HD13 LEU 30 3HD1 LEU 30 7.573 -8.670 -9.314 207 HD21 LEU 30 1HD2 LEU 30 5.283 -6.843 -11.054 208 HD22 LEU 30 2HD2 LEU 30 5.165 -8.540 -11.518 209 HD23 LEU 30 3HD2 LEU 30 6.736 -7.840 -11.122 210 H GLN 31 H GLN 31 3.359 -8.276 -6.157 211 HA GLN 31 HA GLN 31 1.050 -7.112 -7.566 212 HB2 GLN 31 1HB GLN 31 1.510 -7.273 -4.584 213 HB3 GLN 31 2HB GLN 31 0.068 -6.665 -5.386 214 HG2 GLN 31 1HG GLN 31 1.061 -9.494 -5.625 215 HG3 GLN 31 2HG GLN 31 -0.147 -8.961 -4.456 216 HE21 GLN 31 1HE2 GLN 31 -0.791 -10.926 -6.186 217 HE22 GLN 31 2HE2 GLN 31 -1.913 -10.351 -7.367 218 H SER 32 H SER 32 0.978 -4.970 -7.901 219 HA SER 32 HA SER 32 2.720 -3.194 -6.383 220 HB2 SER 32 1HB SER 32 4.034 -3.948 -8.373 221 HB3 SER 32 2HB SER 32 2.788 -3.249 -9.408 222 HG SER 32 HG SER 32 4.583 -1.835 -9.025 223 H PHE 33 H PHE 33 2.155 -0.960 -6.571 224 HA PHE 33 HA PHE 33 -0.291 -0.305 -8.006 225 HB2 PHE 33 1HB PHE 33 -1.257 0.723 -5.896 226 HB3 PHE 33 2HB PHE 33 -1.266 -1.035 -5.963 227 HD1 PHE 33 1HD PHE 33 0.801 -2.208 -4.873 228 HD2 PHE 33 2HD PHE 33 -0.447 1.770 -4.014 229 HE1 PHE 33 1HE PHE 33 2.002 -2.298 -2.728 230 HE2 PHE 33 2HE PHE 33 0.752 1.686 -1.868 231 HZ PHE 33 HZ PHE 33 1.980 -0.349 -1.222 232 H THR 34 H THR 34 -0.862 2.130 -7.268 233 HA THR 34 HA THR 34 1.670 3.635 -7.373 234 HB THR 34 HB THR 34 -0.912 4.337 -8.782 235 HG1 THR 34 1HG THR 34 -0.053 3.402 -10.485 236 HG21 THR 34 1HG2 THR 34 0.415 6.286 -7.986 237 HG22 THR 34 2HG2 THR 34 0.297 6.189 -9.743 238 HG23 THR 34 3HG2 THR 34 1.781 5.692 -8.929 239 H VAL 35 H VAL 35 1.920 5.237 -5.935 240 HA VAL 35 HA VAL 35 -0.403 5.946 -4.267 241 HB VAL 35 HB VAL 35 2.519 6.119 -3.522 242 HG11 VAL 35 1HG1 VAL 35 0.295 7.412 -2.441 243 HG12 VAL 35 2HG1 VAL 35 0.639 6.077 -1.339 244 HG13 VAL 35 3HG1 VAL 35 1.894 7.257 -1.717 245 HG21 VAL 35 1HG2 VAL 35 1.903 3.805 -3.724 246 HG22 VAL 35 2HG2 VAL 35 1.996 4.213 -2.012 247 HG23 VAL 35 3HG2 VAL 35 0.425 4.073 -2.800 248 H ASP 36 H ASP 36 -1.215 7.798 -5.045 249 HA ASP 36 HA ASP 36 0.523 9.869 -6.092 250 HB2 ASP 36 1HB ASP 36 -1.706 9.258 -7.118 251 HB3 ASP 36 2HB ASP 36 -2.471 9.994 -5.713 252 H SER 37 H SER 37 1.647 10.809 -4.455 253 HA SER 37 HA SER 37 0.085 11.949 -2.232 254 HB2 SER 37 1HB SER 37 2.149 11.922 -0.917 255 HB3 SER 37 2HB SER 37 1.797 10.307 -1.533 256 HG SER 37 HG SER 37 3.952 10.730 -1.901 257 H SER 38 H SER 38 0.583 13.060 -4.954 258 HA SER 38 HA SER 38 2.448 15.202 -4.689 259 HB2 SER 38 1HB SER 38 1.731 14.223 -6.878 260 HB3 SER 38 2HB SER 38 0.148 14.965 -6.644 261 HG SER 38 HG SER 38 1.099 16.558 -7.668 262 H LYS 39 H LYS 39 -1.024 14.861 -4.226 263 HA LYS 39 HA LYS 39 -1.502 17.651 -3.821 264 HB2 LYS 39 1HB LYS 39 -3.152 15.201 -3.192 265 HB3 LYS 39 2HB LYS 39 -3.717 16.846 -2.934 266 HG2 LYS 39 1HG LYS 39 -2.735 16.005 -5.626 267 HG3 LYS 39 2HG LYS 39 -4.369 15.593 -5.101 268 HD2 LYS 39 1HD LYS 39 -4.450 18.150 -4.474 269 HD3 LYS 39 2HD LYS 39 -3.167 18.259 -5.681 270 HE2 LYS 39 1HE LYS 39 -5.688 16.779 -6.307 271 HE3 LYS 39 2HE LYS 39 -5.658 18.540 -6.397 272 HZ1 LYS 39 1HZ LYS 39 -5.007 16.966 -8.427 273 HZ2 LYS 39 2HZ LYS 39 -3.479 17.153 -7.729 274 HZ3 LYS 39 3HZ LYS 39 -4.357 18.513 -8.218 275 H ALA 40 H ALA 40 -0.344 15.084 -1.863 276 HA ALA 40 HA ALA 40 -1.124 16.156 0.670 277 HB1 ALA 40 1HB ALA 40 0.720 13.984 -0.227 278 HB2 ALA 40 2HB ALA 40 0.770 14.546 1.445 279 HB3 ALA 40 3HB ALA 40 -0.725 13.888 0.780 280 H GLY 41 H GLY 41 1.765 16.359 -1.352 281 HA2 GLY 41 1HA GLY 41 2.770 18.707 -1.039 282 HA3 GLY 41 2HA GLY 41 2.979 18.175 0.622 283 H LEU 42 H LEU 42 5.137 18.023 0.830 284 HA LEU 42 HA LEU 42 6.563 16.328 -1.115 285 HB2 LEU 42 1HB LEU 42 8.604 17.589 -0.460 286 HB3 LEU 42 2HB LEU 42 7.391 18.549 -1.304 287 HG LEU 42 HG LEU 42 8.647 19.550 0.738 288 HD11 LEU 42 1HD1 LEU 42 6.966 20.824 -0.276 289 HD12 LEU 42 2HD1 LEU 42 6.482 20.719 1.416 290 HD13 LEU 42 3HD1 LEU 42 5.697 19.700 0.210 291 HD21 LEU 42 1HD2 LEU 42 7.573 19.155 2.872 292 HD22 LEU 42 2HD2 LEU 42 8.207 17.641 2.228 293 HD23 LEU 42 3HD2 LEU 42 6.480 17.984 2.133 294 H ALA 43 H ALA 43 5.139 15.772 1.518 295 HA ALA 43 HA ALA 43 7.215 15.013 3.350 296 HB1 ALA 43 1HB ALA 43 5.347 15.385 4.569 297 HB2 ALA 43 2HB ALA 43 4.265 14.862 3.278 298 HB3 ALA 43 3HB ALA 43 5.095 13.664 4.273 299 HA PRO 44 HA PRO 44 8.225 11.025 1.812 300 HB2 PRO 44 1HB PRO 44 8.823 9.733 4.125 301 HB3 PRO 44 2HB PRO 44 9.871 10.966 3.415 302 HG2 PRO 44 1HG PRO 44 7.891 11.220 5.645 303 HG3 PRO 44 2HG PRO 44 9.527 11.890 5.521 304 HD2 PRO 44 1HD PRO 44 7.309 13.368 5.048 305 HD3 PRO 44 2HD PRO 44 8.842 13.650 4.199 306 H LEU 45 H LEU 45 7.652 8.715 1.970 307 HA LEU 45 HA LEU 45 4.957 8.304 3.088 308 HB2 LEU 45 1HB LEU 45 4.729 8.508 0.718 309 HB3 LEU 45 2HB LEU 45 6.068 7.395 0.442 310 HG LEU 45 HG LEU 45 4.439 5.742 1.754 311 HD11 LEU 45 1HD1 LEU 45 2.444 6.658 2.123 312 HD12 LEU 45 2HD1 LEU 45 2.178 6.524 0.385 313 HD13 LEU 45 3HD1 LEU 45 2.788 8.030 1.070 314 HD21 LEU 45 1HD2 LEU 45 4.263 4.684 -0.227 315 HD22 LEU 45 2HD2 LEU 45 5.373 5.944 -0.767 316 HD23 LEU 45 3HD2 LEU 45 3.640 6.110 -1.056 317 H GLU 46 H GLU 46 4.637 6.484 4.243 318 HA GLU 46 HA GLU 46 6.865 4.558 4.363 319 HB2 GLU 46 1HB GLU 46 6.317 6.049 6.414 320 HB3 GLU 46 2HB GLU 46 4.927 4.991 6.615 321 HG2 GLU 46 1HG GLU 46 6.523 3.059 6.642 322 HG3 GLU 46 2HG GLU 46 7.834 4.236 6.702 323 H VAL 47 H VAL 47 6.393 2.367 4.460 324 HA VAL 47 HA VAL 47 3.576 1.598 4.127 325 HB VAL 47 HB VAL 47 5.852 0.566 2.428 326 HG11 VAL 47 1HG1 VAL 47 3.691 -0.369 1.202 327 HG12 VAL 47 2HG1 VAL 47 4.494 -1.262 2.496 328 HG13 VAL 47 3HG1 VAL 47 3.048 -0.314 2.843 329 HG21 VAL 47 1HG2 VAL 47 5.441 2.346 1.153 330 HG22 VAL 47 2HG2 VAL 47 3.874 1.621 0.791 331 HG23 VAL 47 3HG2 VAL 47 4.024 2.788 2.104 332 H ARG 48 H ARG 48 3.033 -0.465 4.862 333 HA ARG 48 HA ARG 48 5.085 -2.169 5.997 334 HB2 ARG 48 1HB ARG 48 3.132 -0.615 7.654 335 HB3 ARG 48 2HB ARG 48 3.648 -2.209 8.187 336 HG2 ARG 48 1HG ARG 48 5.982 -1.461 8.134 337 HG3 ARG 48 2HG ARG 48 5.444 0.143 7.633 338 HD2 ARG 48 1HD ARG 48 4.549 -1.201 10.176 339 HD3 ARG 48 2HD ARG 48 5.932 -0.109 10.085 340 HE ARG 48 HE ARG 48 3.926 1.347 9.007 341 HH11 ARG 48 1HH1 ARG 48 4.256 -0.431 11.982 342 HH12 ARG 48 2HH1 ARG 48 3.192 0.607 12.872 343 HH21 ARG 48 1HH2 ARG 48 2.523 2.720 10.168 344 HH22 ARG 48 2HH2 ARG 48 2.206 2.399 11.838 345 H VAL 49 H VAL 49 4.529 -4.264 5.879 346 HA VAL 49 HA VAL 49 1.718 -4.891 5.246 347 HB VAL 49 HB VAL 49 4.200 -6.344 4.317 348 HG11 VAL 49 1HG1 VAL 49 1.323 -6.852 3.575 349 HG12 VAL 49 2HG1 VAL 49 2.737 -7.771 3.057 350 HG13 VAL 49 3HG1 VAL 49 2.232 -7.803 4.747 351 HG21 VAL 49 1HG2 VAL 49 3.358 -4.025 3.319 352 HG22 VAL 49 2HG2 VAL 49 4.025 -5.302 2.302 353 HG23 VAL 49 3HG2 VAL 49 2.277 -5.101 2.432 354 H LEU 50 H LEU 50 0.691 -6.156 6.643 355 HA LEU 50 HA LEU 50 2.288 -7.894 8.406 356 HB2 LEU 50 1HB LEU 50 -0.027 -6.102 9.030 357 HB3 LEU 50 2HB LEU 50 0.299 -7.522 10.022 358 HG LEU 50 HG LEU 50 1.205 -5.455 10.997 359 HD11 LEU 50 1HD1 LEU 50 3.757 -6.566 10.575 360 HD12 LEU 50 2HD1 LEU 50 2.603 -7.898 10.516 361 HD13 LEU 50 3HD1 LEU 50 2.658 -6.844 11.927 362 HD21 LEU 50 1HD2 LEU 50 1.865 -4.785 8.430 363 HD22 LEU 50 2HD2 LEU 50 3.426 -5.249 9.108 364 HD23 LEU 50 3HD2 LEU 50 2.469 -3.984 9.880 365 H GLY 51 H GLY 51 1.845 -9.980 8.164 366 HA2 GLY 51 1HA GLY 51 -0.179 -10.954 6.473 367 HA3 GLY 51 2HA GLY 51 0.761 -11.922 7.599 368 HA PRO 52 HA PRO 52 -3.770 -11.572 8.907 369 HB2 PRO 52 1HB PRO 52 -4.436 -14.174 8.516 370 HB3 PRO 52 2HB PRO 52 -4.607 -12.941 7.262 371 HG2 PRO 52 1HG PRO 52 -2.429 -14.958 7.651 372 HG3 PRO 52 2HG PRO 52 -3.238 -14.458 6.154 373 HD2 PRO 52 1HD PRO 52 -0.798 -13.528 6.873 374 HD3 PRO 52 2HD PRO 52 -1.959 -12.551 5.952 375 H ARG 53 H ARG 53 -1.629 -14.396 9.336 376 HA ARG 53 HA ARG 53 -2.583 -14.963 11.961 377 HB2 ARG 53 1HB ARG 53 0.038 -15.868 10.773 378 HB3 ARG 53 2HB ARG 53 -0.895 -16.651 12.040 379 HG2 ARG 53 1HG ARG 53 -1.674 -17.959 10.414 380 HG3 ARG 53 2HG ARG 53 -2.678 -16.578 9.966 381 HD2 ARG 53 1HD ARG 53 -0.824 -15.819 8.472 382 HD3 ARG 53 2HD ARG 53 0.006 -17.334 8.825 383 HE ARG 53 HE ARG 53 -2.241 -16.955 7.074 384 HH11 ARG 53 1HH1 ARG 53 -0.508 -19.232 9.056 385 HH12 ARG 53 2HH1 ARG 53 -1.069 -20.619 8.181 386 HH21 ARG 53 1HH2 ARG 53 -2.986 -18.772 5.914 387 HH22 ARG 53 2HH2 ARG 53 -2.478 -20.356 6.394 388 H GLY 54 H GLY 54 0.204 -13.229 10.657 389 HA2 GLY 54 1HA GLY 54 0.655 -11.272 12.314 390 HA3 GLY 54 2HA GLY 54 1.086 -12.596 13.386 391 H LEU 55 H LEU 55 1.725 -12.577 9.936 392 HA LEU 55 HA LEU 55 4.570 -12.846 10.501 393 HB2 LEU 55 1HB LEU 55 3.792 -14.464 8.993 394 HB3 LEU 55 2HB LEU 55 2.867 -13.281 8.071 395 HG LEU 55 HG LEU 55 5.208 -12.299 7.490 396 HD11 LEU 55 1HD1 LEU 55 7.024 -13.810 7.516 397 HD12 LEU 55 2HD1 LEU 55 5.999 -15.151 8.025 398 HD13 LEU 55 3HD1 LEU 55 6.342 -13.832 9.143 399 HD21 LEU 55 1HD2 LEU 55 3.470 -14.136 6.267 400 HD22 LEU 55 2HD2 LEU 55 5.103 -14.742 5.994 401 HD23 LEU 55 3HD2 LEU 55 4.674 -13.106 5.493 402 H VAL 56 H VAL 56 6.172 -11.589 9.424 403 HA VAL 56 HA VAL 56 5.215 -8.915 8.635 404 HB VAL 56 HB VAL 56 7.834 -9.660 9.945 405 HG11 VAL 56 1HG1 VAL 56 7.755 -7.727 8.223 406 HG12 VAL 56 2HG1 VAL 56 6.880 -6.861 9.486 407 HG13 VAL 56 3HG1 VAL 56 8.515 -7.450 9.790 408 HG21 VAL 56 1HG2 VAL 56 6.163 -7.723 11.307 409 HG22 VAL 56 2HG2 VAL 56 5.343 -9.270 11.097 410 HG23 VAL 56 3HG2 VAL 56 6.902 -9.203 11.918 411 H GLU 57 H GLU 57 5.731 -8.190 6.667 412 HA GLU 57 HA GLU 57 7.933 -9.486 5.214 413 HB2 GLU 57 1HB GLU 57 5.184 -8.895 4.103 414 HB3 GLU 57 2HB GLU 57 6.557 -9.448 3.154 415 HG2 GLU 57 1HG GLU 57 5.212 -10.965 5.379 416 HG3 GLU 57 2HG GLU 57 5.047 -11.277 3.652 417 HA PRO 58 HA PRO 58 9.180 -5.344 4.381 418 HB2 PRO 58 1HB PRO 58 10.817 -5.826 2.272 419 HB3 PRO 58 2HB PRO 58 11.256 -6.224 3.937 420 HG2 PRO 58 1HG PRO 58 10.183 -8.006 1.784 421 HG3 PRO 58 2HG PRO 58 11.484 -8.316 2.948 422 HD2 PRO 58 1HD PRO 58 8.976 -9.284 3.274 423 HD3 PRO 58 2HD PRO 58 10.014 -8.838 4.645 424 H VAL 59 H VAL 59 9.311 -3.782 2.531 425 HA VAL 59 HA VAL 59 7.491 -4.399 0.323 426 HB VAL 59 HB VAL 59 7.173 -1.975 2.099 427 HG11 VAL 59 1HG1 VAL 59 5.926 -2.774 -0.506 428 HG12 VAL 59 2HG1 VAL 59 5.072 -1.725 0.627 429 HG13 VAL 59 3HG1 VAL 59 6.628 -1.226 -0.037 430 HG21 VAL 59 1HG2 VAL 59 4.772 -3.246 2.084 431 HG22 VAL 59 2HG2 VAL 59 5.885 -4.613 2.038 432 HG23 VAL 59 3HG2 VAL 59 5.994 -3.432 3.343 433 H ASN 60 H ASN 60 7.676 -2.960 -1.479 434 HA ASN 60 HA ASN 60 10.322 -1.705 -1.621 435 HB2 ASN 60 1HB ASN 60 10.031 -3.316 -3.345 436 HB3 ASN 60 2HB ASN 60 8.423 -2.714 -3.736 437 HD21 ASN 60 1HD2 ASN 60 8.287 -0.542 -4.638 438 HD22 ASN 60 2HD2 ASN 60 9.570 0.019 -5.651 439 H VAL 61 H VAL 61 10.607 0.422 -2.068 440 HA VAL 61 HA VAL 61 8.225 2.049 -2.640 441 HB VAL 61 HB VAL 61 8.779 2.171 -0.210 442 HG11 VAL 61 1HG1 VAL 61 11.278 1.961 -0.643 443 HG12 VAL 61 2HG1 VAL 61 11.244 3.682 -1.032 444 HG13 VAL 61 3HG1 VAL 61 10.777 3.130 0.578 445 HG21 VAL 61 1HG2 VAL 61 8.739 4.496 -2.047 446 HG22 VAL 61 2HG2 VAL 61 7.605 4.035 -0.778 447 HG23 VAL 61 3HG2 VAL 61 9.132 4.810 -0.356 448 H VAL 62 H VAL 62 8.546 3.082 -4.487 449 HA VAL 62 HA VAL 62 11.161 4.309 -5.000 450 HB VAL 62 HB VAL 62 9.633 2.678 -7.035 451 HG11 VAL 62 1HG1 VAL 62 11.080 3.386 -8.665 452 HG12 VAL 62 2HG1 VAL 62 10.964 4.851 -7.688 453 HG13 VAL 62 3HG1 VAL 62 12.357 3.782 -7.516 454 HG21 VAL 62 1HG2 VAL 62 12.399 1.954 -6.516 455 HG22 VAL 62 2HG2 VAL 62 11.382 1.797 -5.084 456 HG23 VAL 62 3HG2 VAL 62 10.956 0.941 -6.566 457 H ASP 63 H ASP 63 11.011 6.349 -5.687 458 HA ASP 63 HA ASP 63 8.397 7.512 -6.075 459 HB2 ASP 63 1HB ASP 63 10.107 8.694 -4.758 460 HB3 ASP 63 2HB ASP 63 11.139 8.786 -6.183 461 H ASN 64 H ASN 64 7.560 8.355 -7.936 462 HA ASN 64 HA ASN 64 8.645 7.345 -10.405 463 HB2 ASN 64 1HB ASN 64 6.192 8.986 -9.761 464 HB3 ASN 64 2HB ASN 64 6.624 8.504 -11.399 465 HD21 ASN 64 1HD2 ASN 64 5.986 7.208 -8.177 466 HD22 ASN 64 2HD2 ASN 64 5.293 5.721 -8.720 467 H GLY 65 H GLY 65 8.075 10.548 -8.980 468 HA2 GLY 65 1HA GLY 65 9.870 12.202 -9.329 469 HA3 GLY 65 2HA GLY 65 9.936 11.650 -10.996 470 H ASP 66 H ASP 66 6.935 11.471 -11.027 471 HA ASP 66 HA ASP 66 6.491 14.240 -11.786 472 HB2 ASP 66 1HB ASP 66 5.784 12.074 -13.089 473 HB3 ASP 66 2HB ASP 66 4.396 12.110 -12.006 474 H GLY 67 H GLY 67 5.185 11.858 -9.516 475 HA2 GLY 67 1HA GLY 67 4.647 13.474 -7.413 476 HA3 GLY 67 2HA GLY 67 3.250 13.718 -8.451 477 H THR 68 H THR 68 5.005 10.690 -8.129 478 HA THR 68 HA THR 68 2.957 9.575 -6.389 479 HB THR 68 HB THR 68 2.406 7.727 -7.869 480 HG1 THR 68 1HG THR 68 3.189 7.740 -10.025 481 HG21 THR 68 1HG2 THR 68 0.974 8.865 -9.364 482 HG22 THR 68 2HG2 THR 68 2.059 10.252 -9.470 483 HG23 THR 68 3HG2 THR 68 1.162 9.943 -7.983 484 H HIS 69 H HIS 69 3.461 7.077 -6.168 485 HA HIS 69 HA HIS 69 6.325 6.543 -6.271 486 HB2 HIS 69 1HB HIS 69 4.807 6.239 -3.678 487 HB3 HIS 69 2HB HIS 69 6.537 6.037 -3.940 488 HD1 HIS 69 1HD HIS 69 7.877 7.969 -3.203 489 HD2 HIS 69 2HD HIS 69 4.034 9.097 -4.305 490 HE1 HIS 69 1HE HIS 69 7.749 10.441 -2.758 491 HE2 HIS 69 2HE HIS 69 5.387 11.084 -3.352 492 H THR 70 H THR 70 6.637 4.549 -6.992 493 HA THR 70 HA THR 70 4.415 2.693 -7.111 494 HB THR 70 HB THR 70 7.238 2.487 -8.173 495 HG1 THR 70 1HG THR 70 6.222 3.841 -9.513 496 HG21 THR 70 1HG2 THR 70 6.062 0.293 -7.572 497 HG22 THR 70 2HG2 THR 70 6.667 0.462 -9.221 498 HG23 THR 70 3HG2 THR 70 4.949 0.674 -8.886 499 H VAL 71 H VAL 71 4.186 0.844 -5.969 500 HA VAL 71 HA VAL 71 6.355 0.088 -4.125 501 HB VAL 71 HB VAL 71 3.410 0.075 -3.449 502 HG11 VAL 71 1HG1 VAL 71 5.448 -0.203 -1.343 503 HG12 VAL 71 2HG1 VAL 71 3.895 -1.018 -1.539 504 HG13 VAL 71 3HG1 VAL 71 5.303 -1.571 -2.446 505 HG21 VAL 71 1HG2 VAL 71 3.648 2.042 -2.331 506 HG22 VAL 71 2HG2 VAL 71 5.352 1.763 -1.973 507 HG23 VAL 71 3HG2 VAL 71 4.865 2.302 -3.580 508 H THR 72 H THR 72 7.055 -1.849 -4.725 509 HA THR 72 HA THR 72 5.141 -3.781 -5.839 510 HB THR 72 HB THR 72 7.149 -5.012 -6.639 511 HG1 THR 72 1HG THR 72 9.163 -4.111 -6.386 512 HG21 THR 72 1HG2 THR 72 6.083 -3.526 -8.188 513 HG22 THR 72 2HG2 THR 72 7.827 -3.314 -8.353 514 HG23 THR 72 3HG2 THR 72 6.873 -2.125 -7.467 515 H TYR 73 H TYR 73 5.007 -5.883 -5.051 516 HA TYR 73 HA TYR 73 6.638 -6.837 -2.913 517 HB2 TYR 73 1HB TYR 73 5.205 -6.683 -1.086 518 HB3 TYR 73 2HB TYR 73 4.978 -5.125 -1.872 519 HD1 TYR 73 1HD TYR 73 2.913 -4.661 -3.132 520 HD2 TYR 73 2HD TYR 73 3.429 -8.294 -0.979 521 HE1 TYR 73 1HE TYR 73 0.492 -5.074 -3.262 522 HE2 TYR 73 2HE TYR 73 1.010 -8.718 -1.104 523 HH TYR 73 HH TYR 73 -1.203 -6.344 -2.499 524 H THR 74 H THR 74 5.455 -8.859 -1.887 525 HA THR 74 HA THR 74 3.693 -10.226 -3.733 526 HB THR 74 HB THR 74 6.448 -11.349 -3.188 527 HG1 THR 74 1HG THR 74 5.318 -9.967 -5.359 528 HG21 THR 74 1HG2 THR 74 4.616 -12.495 -5.224 529 HG22 THR 74 2HG2 THR 74 4.250 -12.821 -3.529 530 HG23 THR 74 3HG2 THR 74 5.811 -13.290 -4.200 531 HA PRO 75 HA PRO 75 2.546 -11.584 0.380 532 HB2 PRO 75 1HB PRO 75 0.238 -12.785 -0.397 533 HB3 PRO 75 2HB PRO 75 0.389 -11.035 -0.191 534 HG2 PRO 75 1HG PRO 75 0.499 -12.665 -2.701 535 HG3 PRO 75 2HG PRO 75 -0.326 -11.124 -2.403 536 HD2 PRO 75 1HD PRO 75 2.057 -11.276 -3.678 537 HD3 PRO 75 2HD PRO 75 1.607 -9.895 -2.659 538 H SER 76 H SER 76 4.199 -13.126 0.657 539 HA SER 76 HA SER 76 4.818 -15.408 -0.566 540 HB2 SER 76 1HB SER 76 5.920 -14.815 1.493 541 HB3 SER 76 2HB SER 76 4.437 -15.055 2.415 542 HG SER 76 HG SER 76 5.455 -17.186 0.908 543 H GLN 77 H GLN 77 2.260 -15.349 1.923 544 HA GLN 77 HA GLN 77 1.035 -17.662 0.570 545 HB2 GLN 77 1HB GLN 77 0.128 -18.329 2.740 546 HB3 GLN 77 2HB GLN 77 1.882 -18.219 2.801 547 HG2 GLN 77 1HG GLN 77 1.422 -15.813 3.683 548 HG3 GLN 77 2HG GLN 77 -0.171 -16.466 4.062 549 HE21 GLN 77 1HE2 GLN 77 0.180 -16.230 6.271 550 HE22 GLN 77 2HE2 GLN 77 1.231 -17.281 7.150 551 H GLU 78 H GLU 78 -1.371 -17.833 1.004 552 HA GLU 78 HA GLU 78 -2.582 -15.308 0.283 553 HB2 GLU 78 1HB GLU 78 -4.586 -16.602 -0.149 554 HB3 GLU 78 2HB GLU 78 -3.199 -17.398 -0.878 555 HG2 GLU 78 1HG GLU 78 -3.289 -19.174 0.538 556 HG3 GLU 78 2HG GLU 78 -3.991 -18.233 1.852 557 H GLY 79 H GLY 79 -4.710 -14.700 1.302 558 HA2 GLY 79 1HA GLY 79 -6.019 -15.140 3.442 559 HA3 GLY 79 2HA GLY 79 -4.458 -14.961 4.230 560 HA PRO 80 HA PRO 80 -6.751 -10.834 3.767 561 HB2 PRO 80 1HB PRO 80 -7.371 -10.469 6.384 562 HB3 PRO 80 2HB PRO 80 -8.446 -11.292 5.247 563 HG2 PRO 80 1HG PRO 80 -6.555 -12.461 7.253 564 HG3 PRO 80 2HG PRO 80 -8.214 -12.951 6.861 565 HD2 PRO 80 1HD PRO 80 -6.044 -14.258 5.905 566 HD3 PRO 80 2HD PRO 80 -7.558 -14.124 4.988 567 H TYR 81 H TYR 81 -4.628 -10.075 3.301 568 HA TYR 81 HA TYR 81 -2.756 -9.656 5.461 569 HB2 TYR 81 1HB TYR 81 -2.743 -9.307 2.513 570 HB3 TYR 81 2HB TYR 81 -1.666 -8.265 3.437 571 HD1 TYR 81 1HD TYR 81 -2.662 -11.868 3.658 572 HD2 TYR 81 2HD TYR 81 0.502 -9.033 3.422 573 HE1 TYR 81 1HE TYR 81 -1.023 -13.695 3.797 574 HE2 TYR 81 2HE TYR 81 2.150 -10.853 3.560 575 HH TYR 81 HH TYR 81 1.545 -13.931 2.963 576 H MET 82 H MET 82 -1.710 -7.391 5.562 577 HA MET 82 HA MET 82 -3.695 -5.258 5.294 578 HB2 MET 82 1HB MET 82 -3.837 -6.222 7.606 579 HB3 MET 82 2HB MET 82 -2.167 -5.732 7.856 580 HG2 MET 82 1HG MET 82 -2.693 -3.470 7.832 581 HG3 MET 82 2HG MET 82 -4.238 -3.743 7.029 582 HE1 MET 82 1HE MET 82 -2.442 -2.908 9.990 583 HE2 MET 82 2HE MET 82 -3.425 -3.330 11.392 584 HE3 MET 82 3HE MET 82 -2.399 -4.549 10.635 585 H VAL 83 H VAL 83 -2.777 -3.647 4.224 586 HA VAL 83 HA VAL 83 0.132 -3.258 4.476 587 HB VAL 83 HB VAL 83 -1.728 -2.515 2.216 588 HG11 VAL 83 1HG1 VAL 83 0.967 -1.573 2.921 589 HG12 VAL 83 2HG1 VAL 83 0.761 -2.090 1.247 590 HG13 VAL 83 3HG1 VAL 83 -0.272 -0.826 1.913 591 HG21 VAL 83 1HG2 VAL 83 0.311 -4.037 1.199 592 HG22 VAL 83 2HG2 VAL 83 0.026 -4.784 2.771 593 HG23 VAL 83 3HG2 VAL 83 -1.298 -4.629 1.614 594 H SER 84 H SER 84 0.269 -1.841 6.163 595 HA SER 84 HA SER 84 -1.452 0.471 6.326 596 HB2 SER 84 1HB SER 84 1.032 -0.025 7.966 597 HB3 SER 84 2HB SER 84 -0.378 0.942 8.394 598 HG SER 84 HG SER 84 0.054 -1.712 8.724 599 H VAL 85 H VAL 85 -0.870 2.611 6.034 600 HA VAL 85 HA VAL 85 1.787 3.162 4.923 601 HB VAL 85 HB VAL 85 -0.801 4.026 3.622 602 HG11 VAL 85 1HG1 VAL 85 1.810 4.479 2.312 603 HG12 VAL 85 2HG1 VAL 85 0.344 5.463 2.297 604 HG13 VAL 85 3HG1 VAL 85 1.428 5.512 3.688 605 HG21 VAL 85 1HG2 VAL 85 0.889 1.725 3.257 606 HG22 VAL 85 2HG2 VAL 85 -0.658 2.109 2.502 607 HG23 VAL 85 3HG2 VAL 85 0.844 2.702 1.790 608 H LYS 86 H LYS 86 2.628 5.097 5.500 609 HA LYS 86 HA LYS 86 0.873 6.949 6.976 610 HB2 LYS 86 1HB LYS 86 2.737 5.505 8.212 611 HB3 LYS 86 2HB LYS 86 3.775 6.802 7.637 612 HG2 LYS 86 1HG LYS 86 2.455 8.442 8.807 613 HG3 LYS 86 2HG LYS 86 1.290 7.206 9.288 614 HD2 LYS 86 1HD LYS 86 3.259 6.040 10.423 615 HD3 LYS 86 2HD LYS 86 4.135 7.556 10.197 616 HE2 LYS 86 1HE LYS 86 2.283 8.716 11.402 617 HE3 LYS 86 2HE LYS 86 1.580 7.136 11.744 618 HZ1 LYS 86 1HZ LYS 86 4.373 7.446 12.462 619 HZ2 LYS 86 2HZ LYS 86 3.113 6.698 13.308 620 HZ3 LYS 86 3HZ LYS 86 3.290 8.379 13.364 621 H TYR 87 H TYR 87 1.896 9.183 7.158 622 HA TYR 87 HA TYR 87 3.675 9.935 5.010 623 HB2 TYR 87 1HB TYR 87 1.179 9.797 4.174 624 HB3 TYR 87 2HB TYR 87 1.039 11.349 4.992 625 HD1 TYR 87 1HD TYR 87 3.004 9.550 2.396 626 HD2 TYR 87 2HD TYR 87 1.751 13.313 3.936 627 HE1 TYR 87 1HE TYR 87 3.956 10.667 0.423 628 HE2 TYR 87 2HE TYR 87 2.700 14.441 1.966 629 HH TYR 87 HH TYR 87 4.204 12.591 -0.664 630 H ALA 88 H ALA 88 5.050 11.190 6.076 631 HA ALA 88 HA ALA 88 5.902 12.867 7.357 632 HB1 ALA 88 1HB ALA 88 4.825 14.912 7.349 633 HB2 ALA 88 2HB ALA 88 4.109 14.109 5.951 634 HB3 ALA 88 3HB ALA 88 3.222 14.186 7.473 635 H ASP 89 H ASP 89 4.928 10.549 8.660 636 HA ASP 89 HA ASP 89 4.613 9.768 10.775 637 HB2 ASP 89 1HB ASP 89 4.857 12.665 11.613 638 HB3 ASP 89 2HB ASP 89 5.002 11.260 12.665 639 H GLU 90 H GLU 90 2.379 10.437 9.120 640 HA GLU 90 HA GLU 90 0.347 10.646 11.202 641 HB2 GLU 90 1HB GLU 90 0.499 12.460 8.796 642 HB3 GLU 90 2HB GLU 90 -0.981 12.212 9.711 643 HG2 GLU 90 1HG GLU 90 0.404 12.921 11.752 644 HG3 GLU 90 2HG GLU 90 1.557 13.539 10.571 645 H GLU 91 H GLU 91 -0.544 8.687 10.962 646 HA GLU 91 HA GLU 91 -0.667 7.134 8.682 647 HB2 GLU 91 1HB GLU 91 -2.143 7.208 11.250 648 HB3 GLU 91 2HB GLU 91 -2.901 6.307 9.945 649 HG2 GLU 91 1HG GLU 91 -1.170 4.770 9.826 650 HG3 GLU 91 2HG GLU 91 -0.037 5.835 10.655 651 H ILE 92 H ILE 92 -1.524 7.621 6.779 652 HA ILE 92 HA ILE 92 -3.301 9.648 6.200 653 HB ILE 92 HB ILE 92 -3.727 8.541 4.065 654 HG12 ILE 92 1HG1 ILE 92 -2.152 6.193 5.129 655 HG13 ILE 92 2HG1 ILE 92 -3.912 6.231 5.088 656 HG21 ILE 92 1HG2 ILE 92 -1.617 9.742 4.407 657 HG22 ILE 92 2HG2 ILE 92 -0.857 8.244 4.941 658 HG23 ILE 92 3HG2 ILE 92 -1.430 8.399 3.280 659 HD11 ILE 92 1HD1 ILE 92 -1.983 5.798 2.932 660 HD12 ILE 92 2HD1 ILE 92 -3.650 5.247 3.100 661 HD13 ILE 92 3HD1 ILE 92 -3.315 6.881 2.527 662 HA PRO 93 HA PRO 93 -7.305 8.339 7.440 663 HB2 PRO 93 1HB PRO 93 -8.840 9.503 5.527 664 HB3 PRO 93 2HB PRO 93 -8.044 10.421 6.810 665 HG2 PRO 93 1HG PRO 93 -7.194 10.009 3.970 666 HG3 PRO 93 2HG PRO 93 -7.166 11.492 4.942 667 HD2 PRO 93 1HD PRO 93 -4.955 9.987 4.515 668 HD3 PRO 93 2HD PRO 93 -5.214 10.901 6.015 669 H ARG 94 H ARG 94 -5.760 7.031 4.868 670 HA ARG 94 HA ARG 94 -8.062 5.344 4.132 671 HB2 ARG 94 1HB ARG 94 -5.612 6.007 2.488 672 HB3 ARG 94 2HB ARG 94 -6.904 4.920 1.995 673 HG2 ARG 94 1HG ARG 94 -7.634 7.692 2.765 674 HG3 ARG 94 2HG ARG 94 -6.825 7.438 1.217 675 HD2 ARG 94 1HD ARG 94 -8.543 5.899 0.521 676 HD3 ARG 94 2HD ARG 94 -9.306 5.975 2.108 677 HE ARG 94 HE ARG 94 -9.386 8.537 1.344 678 HH11 ARG 94 1HH1 ARG 94 -10.233 5.603 -0.328 679 HH12 ARG 94 2HH1 ARG 94 -11.462 6.354 -1.292 680 HH21 ARG 94 1HH2 ARG 94 -11.002 9.536 0.081 681 HH22 ARG 94 2HH2 ARG 94 -11.898 8.591 -1.058 682 H SER 95 H SER 95 -5.417 5.358 6.009 683 HA SER 95 HA SER 95 -4.831 2.510 5.528 684 HB2 SER 95 1HB SER 95 -2.735 3.379 5.259 685 HB3 SER 95 2HB SER 95 -3.091 4.812 6.225 686 HG SER 95 HG SER 95 -2.450 3.804 7.976 687 HA PRO 96 HA PRO 96 -3.320 1.139 6.771 688 HB2 PRO 96 1HB PRO 96 -4.144 -1.317 7.586 689 HB3 PRO 96 2HB PRO 96 -3.038 -0.312 8.531 690 HG2 PRO 96 1HG PRO 96 -5.989 -0.701 8.853 691 HG3 PRO 96 2HG PRO 96 -4.727 -0.641 10.096 692 HD2 PRO 96 1HD PRO 96 -6.326 1.473 9.538 693 HD3 PRO 96 2HD PRO 96 -4.645 1.663 10.079 694 H PHE 97 H PHE 97 -3.690 -0.850 5.302 695 HA PHE 97 HA PHE 97 -6.299 -0.547 3.965 696 HB2 PHE 97 1HB PHE 97 -3.556 -1.031 2.799 697 HB3 PHE 97 2HB PHE 97 -5.040 -1.247 1.876 698 HD1 PHE 97 1HD PHE 97 -6.461 0.684 1.344 699 HD2 PHE 97 2HD PHE 97 -2.701 1.136 3.287 700 HE1 PHE 97 1HE PHE 97 -6.462 3.080 0.781 701 HE2 PHE 97 2HE PHE 97 -2.697 3.532 2.728 702 HZ PHE 97 HZ PHE 97 -4.580 4.507 1.473 703 H LYS 98 H LYS 98 -7.324 -2.380 3.172 704 HA LYS 98 HA LYS 98 -6.403 -4.895 4.370 705 HB2 LYS 98 1HB LYS 98 -9.111 -4.051 3.329 706 HB3 LYS 98 2HB LYS 98 -8.745 -5.665 3.923 707 HG2 LYS 98 1HG LYS 98 -9.598 -4.795 5.825 708 HG3 LYS 98 2HG LYS 98 -7.925 -4.270 6.035 709 HD2 LYS 98 1HD LYS 98 -8.969 -2.279 6.401 710 HD3 LYS 98 2HD LYS 98 -8.812 -2.185 4.644 711 HE2 LYS 98 1HE LYS 98 -11.233 -3.495 5.767 712 HE3 LYS 98 2HE LYS 98 -11.117 -1.739 5.877 713 HZ1 LYS 98 1HZ LYS 98 -10.850 -3.299 3.364 714 HZ2 LYS 98 2HZ LYS 98 -10.849 -1.613 3.503 715 HZ3 LYS 98 3HZ LYS 98 -12.253 -2.490 3.855 716 H VAL 99 H VAL 99 -5.766 -6.577 3.165 717 HA VAL 99 HA VAL 99 -6.375 -6.572 0.290 718 HB VAL 99 HB VAL 99 -3.646 -7.013 1.506 719 HG11 VAL 99 1HG1 VAL 99 -3.089 -8.268 -0.237 720 HG12 VAL 99 2HG1 VAL 99 -4.769 -8.232 -0.777 721 HG13 VAL 99 3HG1 VAL 99 -3.631 -7.011 -1.349 722 HG21 VAL 99 1HG2 VAL 99 -3.073 -4.972 0.768 723 HG22 VAL 99 2HG2 VAL 99 -3.992 -5.144 -0.727 724 HG23 VAL 99 3HG2 VAL 99 -4.811 -4.669 0.761 725 H LYS 100 H LYS 100 -7.723 -8.287 0.243 726 HA LYS 100 HA LYS 100 -7.174 -10.682 1.764 727 HB2 LYS 100 1HB LYS 100 -9.485 -9.862 1.422 728 HB3 LYS 100 2HB LYS 100 -9.314 -10.149 -0.305 729 HG2 LYS 100 1HG LYS 100 -9.190 -12.495 0.007 730 HG3 LYS 100 2HG LYS 100 -9.020 -12.318 1.755 731 HD2 LYS 100 1HD LYS 100 -11.309 -11.236 1.732 732 HD3 LYS 100 2HD LYS 100 -11.451 -11.782 0.060 733 HE2 LYS 100 1HE LYS 100 -12.500 -13.452 1.329 734 HE3 LYS 100 2HE LYS 100 -10.908 -14.107 0.950 735 HZ1 LYS 100 1HZ LYS 100 -11.338 -14.526 3.229 736 HZ2 LYS 100 2HZ LYS 100 -11.800 -12.926 3.519 737 HZ3 LYS 100 3HZ LYS 100 -10.184 -13.292 3.174 738 H VAL 101 H VAL 101 -5.300 -11.580 0.965 739 HA VAL 101 HA VAL 101 -4.794 -11.948 -1.812 740 HB VAL 101 HB VAL 101 -3.531 -13.445 0.486 741 HG11 VAL 101 1HG1 VAL 101 -2.983 -14.489 -1.571 742 HG12 VAL 101 2HG1 VAL 101 -2.699 -12.937 -2.362 743 HG13 VAL 101 3HG1 VAL 101 -1.589 -13.511 -1.118 744 HG21 VAL 101 1HG2 VAL 101 -2.986 -11.338 1.136 745 HG22 VAL 101 2HG2 VAL 101 -1.723 -11.563 -0.076 746 HG23 VAL 101 3HG2 VAL 101 -3.186 -10.667 -0.483 747 H LEU 102 H LEU 102 -4.938 -13.795 -3.068 748 HA LEU 102 HA LEU 102 -6.593 -15.963 -1.953 749 HB2 LEU 102 1HB LEU 102 -6.601 -14.699 -4.678 750 HB3 LEU 102 2HB LEU 102 -7.314 -16.283 -4.378 751 HG LEU 102 HG LEU 102 -8.175 -13.802 -2.908 752 HD11 LEU 102 1HD1 LEU 102 -9.444 -14.999 -5.365 753 HD12 LEU 102 2HD1 LEU 102 -8.482 -13.522 -5.348 754 HD13 LEU 102 3HD1 LEU 102 -10.003 -13.593 -4.458 755 HD21 LEU 102 1HD2 LEU 102 -8.629 -16.248 -2.129 756 HD22 LEU 102 2HD2 LEU 102 -9.832 -16.233 -3.420 757 HD23 LEU 102 3HD2 LEU 102 -9.932 -15.059 -2.107 758 HA PRO 103 HA PRO 103 -3.498 -18.868 -3.068 759 HB2 PRO 103 1HB PRO 103 -5.001 -21.019 -3.768 760 HB3 PRO 103 2HB PRO 103 -4.819 -20.477 -2.096 761 HG2 PRO 103 1HG PRO 103 -7.063 -19.981 -4.013 762 HG3 PRO 103 2HG PRO 103 -7.134 -20.409 -2.294 763 HD2 PRO 103 1HD PRO 103 -7.472 -17.873 -3.177 764 HD3 PRO 103 2HD PRO 103 -6.731 -18.246 -1.608 765 H THR 104 H THR 104 -2.299 -18.594 -4.843 766 HA THR 104 HA THR 104 -2.874 -17.830 -7.326 767 HB THR 104 HB THR 104 -0.928 -20.027 -6.605 768 HG1 THR 104 1HG THR 104 0.278 -17.790 -7.280 769 HG21 THR 104 1HG2 THR 104 -1.282 -18.497 -9.179 770 HG22 THR 104 2HG2 THR 104 -1.317 -20.245 -8.946 771 HG23 THR 104 3HG2 THR 104 0.196 -19.359 -8.759 772 H TYR 105 H TYR 105 -3.521 -21.030 -6.052 773 HA TYR 105 HA TYR 105 -4.318 -22.102 -8.610 774 HB2 TYR 105 1HB TYR 105 -4.198 -23.134 -5.807 775 HB3 TYR 105 2HB TYR 105 -5.218 -23.970 -6.972 776 HD1 TYR 105 1HD TYR 105 -1.799 -22.446 -7.077 777 HD2 TYR 105 2HD TYR 105 -4.220 -25.869 -7.801 778 HE1 TYR 105 1HE TYR 105 0.170 -23.652 -7.924 779 HE2 TYR 105 2HE TYR 105 -2.257 -27.085 -8.650 780 HH TYR 105 HH TYR 105 0.079 -26.261 -9.758 781 H ASP 106 H ASP 106 -5.748 -19.841 -8.249 782 HA ASP 106 HA ASP 106 -8.354 -20.536 -7.154 783 HB2 ASP 106 1HB ASP 106 -7.082 -18.217 -7.043 784 HB3 ASP 106 2HB ASP 106 -7.854 -17.974 -8.607 785 H ALA 107 H ALA 107 -7.475 -22.040 -9.413 786 HA ALA 107 HA ALA 107 -8.829 -21.021 -11.748 787 HB1 ALA 107 1HB ALA 107 -7.571 -22.494 -12.837 788 HB2 ALA 107 2HB ALA 107 -6.825 -22.900 -11.291 789 HB3 ALA 107 3HB ALA 107 -8.201 -23.834 -11.879 790 H SER 108 H SER 108 -10.579 -21.166 -9.583 791 HA SER 108 HA SER 108 -12.332 -23.411 -10.342 792 HB2 SER 108 1HB SER 108 -11.813 -22.091 -7.703 793 HB3 SER 108 2HB SER 108 -13.389 -22.822 -8.006 794 HG SER 108 HG SER 108 -11.855 -24.664 -8.773 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -5.788 31.672 -9.793 2 HA2 GLY 1 1HA GLY 1 -7.060 33.243 -7.905 3 HA3 GLY 1 2HA GLY 1 -7.588 31.631 -8.367 4 H SER 2 H SER 2 -4.670 32.713 -6.650 5 HA SER 2 HA SER 2 -3.835 32.198 -4.597 6 HB2 SER 2 1HB SER 2 -6.032 33.078 -3.805 7 HB3 SER 2 2HB SER 2 -6.677 31.438 -3.882 8 HG SER 2 HG SER 2 -4.934 30.874 -2.399 9 H SER 3 H SER 3 -3.601 30.290 -6.582 10 HA SER 3 HA SER 3 -4.043 27.748 -5.165 11 HB2 SER 3 1HB SER 3 -5.070 28.007 -7.450 12 HB3 SER 3 2HB SER 3 -3.437 28.114 -8.106 13 HG SER 3 HG SER 3 -3.648 26.014 -8.198 14 H GLY 4 H GLY 4 -2.358 26.263 -4.955 15 HA2 GLY 4 1HA GLY 4 0.032 25.876 -5.868 16 HA3 GLY 4 2HA GLY 4 0.315 27.471 -5.186 17 H SER 5 H SER 5 1.957 25.743 -4.205 18 HA SER 5 HA SER 5 0.795 24.608 -1.760 19 HB2 SER 5 1HB SER 5 2.827 23.278 -1.587 20 HB3 SER 5 2HB SER 5 2.146 23.102 -3.204 21 HG SER 5 HG SER 5 4.158 24.998 -2.610 22 H SER 6 H SER 6 0.898 25.828 -0.006 23 HA SER 6 HA SER 6 2.929 27.914 0.201 24 HB2 SER 6 1HB SER 6 0.504 27.322 1.914 25 HB3 SER 6 2HB SER 6 1.595 28.686 2.151 26 HG SER 6 HG SER 6 0.964 28.883 -0.320 27 H GLY 7 H GLY 7 3.990 25.368 0.396 28 HA2 GLY 7 1HA GLY 7 5.363 24.087 1.716 29 HA3 GLY 7 2HA GLY 7 5.511 25.516 2.728 30 H VAL 8 H VAL 8 2.780 23.344 2.015 31 HA VAL 8 HA VAL 8 2.633 22.727 4.889 32 HB VAL 8 HB VAL 8 0.904 24.383 4.361 33 HG11 VAL 8 1HG1 VAL 8 0.696 22.984 1.956 34 HG12 VAL 8 2HG1 VAL 8 -0.831 22.699 2.792 35 HG13 VAL 8 3HG1 VAL 8 -0.287 24.348 2.484 36 HG21 VAL 8 1HG2 VAL 8 -0.897 23.281 5.410 37 HG22 VAL 8 2HG2 VAL 8 -0.428 21.714 4.749 38 HG23 VAL 8 3HG2 VAL 8 0.556 22.474 6.000 39 H VAL 9 H VAL 9 1.992 20.662 5.431 40 HA VAL 9 HA VAL 9 1.869 18.759 3.188 41 HB VAL 9 HB VAL 9 2.722 18.328 6.053 42 HG11 VAL 9 1HG1 VAL 9 2.270 16.394 3.801 43 HG12 VAL 9 2HG1 VAL 9 3.372 16.033 5.132 44 HG13 VAL 9 3HG1 VAL 9 1.663 16.324 5.456 45 HG21 VAL 9 1HG2 VAL 9 4.466 17.756 3.720 46 HG22 VAL 9 2HG2 VAL 9 4.207 19.445 4.157 47 HG23 VAL 9 3HG2 VAL 9 4.886 18.325 5.337 48 H ASP 10 H ASP 10 0.164 17.425 2.953 49 HA ASP 10 HA ASP 10 -1.831 17.305 5.106 50 HB2 ASP 10 1HB ASP 10 -2.370 17.880 2.188 51 HB3 ASP 10 2HB ASP 10 -3.621 17.434 3.345 52 HA PRO 11 HA PRO 11 -0.905 13.020 3.917 53 HB2 PRO 11 1HB PRO 11 -1.686 11.975 6.297 54 HB3 PRO 11 2HB PRO 11 -0.088 12.686 6.038 55 HG2 PRO 11 1HG PRO 11 -2.516 13.894 7.305 56 HG3 PRO 11 2HG PRO 11 -0.823 13.981 7.824 57 HD2 PRO 11 1HD PRO 11 -2.043 15.998 6.492 58 HD3 PRO 11 2HD PRO 11 -0.312 15.643 6.313 59 H SER 12 H SER 12 -3.719 14.732 4.412 60 HA SER 12 HA SER 12 -5.453 12.380 4.160 61 HB2 SER 12 1HB SER 12 -6.177 15.275 4.681 62 HB3 SER 12 2HB SER 12 -7.304 13.919 4.663 63 HG SER 12 HG SER 12 -6.045 14.798 6.728 64 H LYS 13 H LYS 13 -3.722 13.955 2.087 65 HA LYS 13 HA LYS 13 -5.861 14.224 0.076 66 HB2 LYS 13 1HB LYS 13 -3.164 15.584 0.015 67 HB3 LYS 13 2HB LYS 13 -4.519 15.864 -1.071 68 HG2 LYS 13 1HG LYS 13 -4.947 16.309 1.832 69 HG3 LYS 13 2HG LYS 13 -3.983 17.486 0.937 70 HD2 LYS 13 1HD LYS 13 -6.060 18.386 0.632 71 HD3 LYS 13 2HD LYS 13 -6.004 17.307 -0.764 72 HE2 LYS 13 1HE LYS 13 -7.372 15.711 0.280 73 HE3 LYS 13 2HE LYS 13 -7.122 16.416 1.877 74 HZ1 LYS 13 1HZ LYS 13 -9.289 16.848 0.393 75 HZ2 LYS 13 2HZ LYS 13 -8.342 18.162 -0.094 76 HZ3 LYS 13 3HZ LYS 13 -8.714 17.948 1.543 77 H VAL 14 H VAL 14 -3.241 12.396 1.058 78 HA VAL 14 HA VAL 14 -2.301 11.631 -1.564 79 HB VAL 14 HB VAL 14 -0.639 11.559 0.114 80 HG11 VAL 14 1HG1 VAL 14 -1.901 11.543 2.114 81 HG12 VAL 14 2HG1 VAL 14 -2.633 9.985 1.727 82 HG13 VAL 14 3HG1 VAL 14 -0.921 10.079 2.143 83 HG21 VAL 14 1HG2 VAL 14 0.224 9.423 -0.150 84 HG22 VAL 14 2HG2 VAL 14 -1.362 8.658 -0.045 85 HG23 VAL 14 3HG2 VAL 14 -0.907 9.549 -1.497 86 H LYS 15 H LYS 15 -2.870 9.875 -2.724 87 HA LYS 15 HA LYS 15 -4.706 7.931 -1.505 88 HB2 LYS 15 1HB LYS 15 -5.033 9.232 -4.214 89 HB3 LYS 15 2HB LYS 15 -6.003 7.889 -3.622 90 HG2 LYS 15 1HG LYS 15 -6.959 9.239 -1.906 91 HG3 LYS 15 2HG LYS 15 -5.842 10.562 -2.250 92 HD2 LYS 15 1HD LYS 15 -7.799 11.238 -3.307 93 HD3 LYS 15 2HD LYS 15 -6.871 10.509 -4.619 94 HE2 LYS 15 1HE LYS 15 -8.723 8.776 -3.064 95 HE3 LYS 15 2HE LYS 15 -9.417 9.916 -4.216 96 HZ1 LYS 15 1HZ LYS 15 -8.084 7.449 -4.704 97 HZ2 LYS 15 2HZ LYS 15 -7.349 8.711 -5.557 98 HZ3 LYS 15 3HZ LYS 15 -8.999 8.400 -5.762 99 H ILE 16 H ILE 16 -4.940 5.945 -2.924 100 HA ILE 16 HA ILE 16 -2.584 5.392 -4.558 101 HB ILE 16 HB ILE 16 -2.072 3.319 -3.398 102 HG12 ILE 16 1HG1 ILE 16 -4.162 4.178 -1.384 103 HG13 ILE 16 2HG1 ILE 16 -4.347 2.864 -2.540 104 HG21 ILE 16 1HG2 ILE 16 -1.389 4.381 -1.137 105 HG22 ILE 16 2HG2 ILE 16 -0.712 5.029 -2.631 106 HG23 ILE 16 3HG2 ILE 16 -2.042 5.865 -1.830 107 HD11 ILE 16 1HD1 ILE 16 -2.061 2.126 -1.315 108 HD12 ILE 16 2HD1 ILE 16 -2.890 2.957 0.002 109 HD13 ILE 16 3HD1 ILE 16 -3.671 1.605 -0.819 110 H ALA 17 H ALA 17 -2.995 4.059 -6.233 111 HA ALA 17 HA ALA 17 -5.403 2.399 -6.191 112 HB1 ALA 17 1HB ALA 17 -6.281 3.244 -8.212 113 HB2 ALA 17 2HB ALA 17 -5.919 4.654 -7.215 114 HB3 ALA 17 3HB ALA 17 -4.834 4.201 -8.530 115 H GLY 18 H GLY 18 -5.118 0.464 -7.143 116 HA2 GLY 18 1HA GLY 18 -3.593 -0.126 -9.380 117 HA3 GLY 18 2HA GLY 18 -2.521 -0.312 -8.000 118 HA PRO 19 HA PRO 19 -5.045 -4.220 -8.793 119 HB2 PRO 19 1HB PRO 19 -2.956 -5.826 -9.448 120 HB3 PRO 19 2HB PRO 19 -3.856 -4.885 -10.643 121 HG2 PRO 19 1HG PRO 19 -1.231 -4.276 -9.337 122 HG3 PRO 19 2HG PRO 19 -1.706 -4.091 -11.036 123 HD2 PRO 19 1HD PRO 19 -1.634 -2.008 -9.308 124 HD3 PRO 19 2HD PRO 19 -2.798 -2.099 -10.645 125 H GLY 20 H GLY 20 -1.900 -3.669 -7.259 126 HA2 GLY 20 1HA GLY 20 -1.802 -5.881 -5.577 127 HA3 GLY 20 2HA GLY 20 -1.079 -4.321 -5.217 128 H LEU 21 H LEU 21 -3.387 -2.755 -5.045 129 HA LEU 21 HA LEU 21 -4.262 -3.463 -2.404 130 HB2 LEU 21 1HB LEU 21 -5.255 -1.230 -4.165 131 HB3 LEU 21 2HB LEU 21 -5.431 -1.362 -2.417 132 HG LEU 21 HG LEU 21 -2.715 -1.195 -3.675 133 HD11 LEU 21 1HD1 LEU 21 -4.686 1.007 -3.233 134 HD12 LEU 21 2HD1 LEU 21 -3.596 0.735 -4.591 135 HD13 LEU 21 3HD1 LEU 21 -2.958 1.307 -3.050 136 HD21 LEU 21 1HD2 LEU 21 -3.890 -0.608 -0.969 137 HD22 LEU 21 2HD2 LEU 21 -2.283 -0.063 -1.450 138 HD23 LEU 21 3HD2 LEU 21 -2.650 -1.788 -1.392 139 H GLY 22 H GLY 22 -5.539 -3.706 -5.632 140 HA2 GLY 22 1HA GLY 22 -8.254 -3.870 -5.247 141 HA3 GLY 22 2HA GLY 22 -7.378 -4.840 -6.423 142 H SER 23 H SER 23 -9.522 -6.026 -5.529 143 HA SER 23 HA SER 23 -8.884 -7.631 -3.181 144 HB2 SER 23 1HB SER 23 -11.179 -6.693 -3.507 145 HB3 SER 23 2HB SER 23 -11.357 -7.725 -4.924 146 HG SER 23 HG SER 23 -12.060 -8.427 -2.624 147 H GLY 24 H GLY 24 -8.661 -7.798 -6.582 148 HA2 GLY 24 1HA GLY 24 -8.744 -10.695 -6.718 149 HA3 GLY 24 2HA GLY 24 -8.417 -9.595 -8.049 150 H VAL 25 H VAL 25 -6.833 -10.057 -4.895 151 HA VAL 25 HA VAL 25 -4.253 -10.128 -6.262 152 HB VAL 25 HB VAL 25 -4.857 -10.020 -3.303 153 HG11 VAL 25 1HG1 VAL 25 -2.677 -10.233 -2.901 154 HG12 VAL 25 2HG1 VAL 25 -2.512 -10.768 -4.574 155 HG13 VAL 25 3HG1 VAL 25 -2.257 -9.072 -4.159 156 HG21 VAL 25 1HG2 VAL 25 -3.652 -7.645 -4.109 157 HG22 VAL 25 2HG2 VAL 25 -4.851 -7.986 -5.358 158 HG23 VAL 25 3HG2 VAL 25 -5.345 -7.876 -3.669 159 H ARG 26 H ARG 26 -2.866 -11.845 -6.223 160 HA ARG 26 HA ARG 26 -3.897 -14.333 -5.025 161 HB2 ARG 26 1HB ARG 26 -2.324 -13.948 -7.577 162 HB3 ARG 26 2HB ARG 26 -2.660 -15.515 -6.853 163 HG2 ARG 26 1HG ARG 26 -5.129 -14.838 -7.012 164 HG3 ARG 26 2HG ARG 26 -4.564 -13.586 -8.121 165 HD2 ARG 26 1HD ARG 26 -3.345 -15.550 -9.304 166 HD3 ARG 26 2HD ARG 26 -4.490 -16.562 -8.424 167 HE ARG 26 HE ARG 26 -5.675 -14.390 -9.917 168 HH11 ARG 26 1HH1 ARG 26 -4.681 -17.726 -9.936 169 HH12 ARG 26 2HH1 ARG 26 -5.740 -18.171 -11.232 170 HH21 ARG 26 1HH2 ARG 26 -7.077 -14.964 -11.624 171 HH22 ARG 26 2HH2 ARG 26 -7.102 -16.598 -12.192 172 H ALA 27 H ALA 27 -2.408 -15.756 -4.081 173 HA ALA 27 HA ALA 27 -0.198 -14.505 -2.798 174 HB1 ALA 27 1HB ALA 27 -1.613 -16.335 -1.826 175 HB2 ALA 27 2HB ALA 27 -0.777 -17.458 -2.898 176 HB3 ALA 27 3HB ALA 27 0.128 -16.574 -1.670 177 H ARG 28 H ARG 28 2.027 -15.097 -2.930 178 HA ARG 28 HA ARG 28 3.970 -15.382 -4.081 179 HB2 ARG 28 1HB ARG 28 2.417 -17.679 -5.288 180 HB3 ARG 28 2HB ARG 28 4.158 -17.465 -5.402 181 HG2 ARG 28 1HG ARG 28 4.008 -17.404 -2.786 182 HG3 ARG 28 2HG ARG 28 2.492 -18.260 -3.070 183 HD2 ARG 28 1HD ARG 28 4.277 -19.854 -2.733 184 HD3 ARG 28 2HD ARG 28 3.719 -19.931 -4.403 185 HE ARG 28 HE ARG 28 5.994 -18.209 -3.956 186 HH11 ARG 28 1HH1 ARG 28 4.889 -21.409 -4.761 187 HH12 ARG 28 2HH1 ARG 28 6.365 -21.863 -5.547 188 HH21 ARG 28 1HH2 ARG 28 7.943 -18.794 -4.987 189 HH22 ARG 28 2HH2 ARG 28 8.102 -20.375 -5.674 190 H VAL 29 H VAL 29 2.214 -13.471 -5.162 191 HA VAL 29 HA VAL 29 3.003 -13.598 -7.990 192 HB VAL 29 HB VAL 29 0.283 -12.856 -6.925 193 HG11 VAL 29 1HG1 VAL 29 0.293 -11.203 -8.440 194 HG12 VAL 29 2HG1 VAL 29 1.708 -11.846 -9.277 195 HG13 VAL 29 3HG1 VAL 29 0.106 -12.498 -9.620 196 HG21 VAL 29 1HG2 VAL 29 0.787 -14.611 -9.278 197 HG22 VAL 29 2HG2 VAL 29 1.068 -15.257 -7.661 198 HG23 VAL 29 3HG2 VAL 29 -0.528 -14.649 -8.104 199 H LEU 30 H LEU 30 3.627 -11.670 -8.903 200 HA LEU 30 HA LEU 30 4.583 -9.659 -7.162 201 HB2 LEU 30 1HB LEU 30 5.581 -10.255 -9.355 202 HB3 LEU 30 2HB LEU 30 4.199 -9.503 -10.148 203 HG LEU 30 HG LEU 30 4.890 -7.355 -8.972 204 HD11 LEU 30 1HD1 LEU 30 7.416 -8.949 -8.563 205 HD12 LEU 30 2HD1 LEU 30 6.355 -8.325 -7.300 206 HD13 LEU 30 3HD1 LEU 30 7.251 -7.208 -8.328 207 HD21 LEU 30 1HD2 LEU 30 5.721 -6.812 -10.958 208 HD22 LEU 30 2HD2 LEU 30 5.686 -8.525 -11.382 209 HD23 LEU 30 3HD2 LEU 30 7.148 -7.815 -10.696 210 H GLN 31 H GLN 31 3.385 -8.199 -6.149 211 HA GLN 31 HA GLN 31 1.042 -7.089 -7.550 212 HB2 GLN 31 1HB GLN 31 1.423 -7.328 -4.562 213 HB3 GLN 31 2HB GLN 31 -0.018 -6.761 -5.395 214 HG2 GLN 31 1HG GLN 31 1.108 -9.543 -5.603 215 HG3 GLN 31 2HG GLN 31 -0.224 -9.063 -4.553 216 HE21 GLN 31 1HE2 GLN 31 -0.806 -11.020 -6.180 217 HE22 GLN 31 2HE2 GLN 31 -1.765 -10.501 -7.519 218 H SER 32 H SER 32 1.041 -4.970 -7.930 219 HA SER 32 HA SER 32 2.693 -3.208 -6.275 220 HB2 SER 32 1HB SER 32 3.940 -3.917 -8.379 221 HB3 SER 32 2HB SER 32 2.729 -3.015 -9.288 222 HG SER 32 HG SER 32 3.500 -1.163 -8.520 223 H PHE 33 H PHE 33 2.204 -0.880 -6.700 224 HA PHE 33 HA PHE 33 -0.299 -0.258 -7.982 225 HB2 PHE 33 1HB PHE 33 -1.287 0.704 -5.862 226 HB3 PHE 33 2HB PHE 33 -1.246 -1.055 -5.945 227 HD1 PHE 33 1HD PHE 33 0.794 -2.204 -4.833 228 HD2 PHE 33 2HD PHE 33 -0.446 1.783 -4.005 229 HE1 PHE 33 1HE PHE 33 2.000 -2.278 -2.689 230 HE2 PHE 33 2HE PHE 33 0.758 1.715 -1.861 231 HZ PHE 33 HZ PHE 33 1.984 -0.317 -1.200 232 H THR 34 H THR 34 -0.853 2.107 -7.659 233 HA THR 34 HA THR 34 1.651 3.651 -7.611 234 HB THR 34 HB THR 34 -0.979 4.355 -8.929 235 HG1 THR 34 1HG THR 34 -0.019 2.771 -10.142 236 HG21 THR 34 1HG2 THR 34 1.662 5.770 -8.725 237 HG22 THR 34 2HG2 THR 34 0.040 6.401 -8.435 238 HG23 THR 34 3HG2 THR 34 0.573 6.059 -10.081 239 H VAL 35 H VAL 35 1.943 5.218 -6.147 240 HA VAL 35 HA VAL 35 -0.333 5.909 -4.410 241 HB VAL 35 HB VAL 35 2.615 6.056 -3.762 242 HG11 VAL 35 1HG1 VAL 35 0.568 7.490 -2.640 243 HG12 VAL 35 2HG1 VAL 35 0.682 6.089 -1.573 244 HG13 VAL 35 3HG1 VAL 35 2.098 7.105 -1.854 245 HG21 VAL 35 1HG2 VAL 35 0.933 3.817 -3.847 246 HG22 VAL 35 2HG2 VAL 35 2.533 3.931 -3.112 247 HG23 VAL 35 3HG2 VAL 35 1.093 4.235 -2.141 248 H ASP 36 H ASP 36 -1.175 7.766 -5.139 249 HA ASP 36 HA ASP 36 0.544 9.864 -6.182 250 HB2 ASP 36 1HB ASP 36 -1.645 9.258 -7.259 251 HB3 ASP 36 2HB ASP 36 -2.458 9.903 -5.836 252 H SER 37 H SER 37 1.608 10.939 -4.622 253 HA SER 37 HA SER 37 0.022 11.989 -2.369 254 HB2 SER 37 1HB SER 37 2.050 11.967 -1.020 255 HB3 SER 37 2HB SER 37 1.769 10.359 -1.684 256 HG SER 37 HG SER 37 3.248 11.130 -3.436 257 H SER 38 H SER 38 0.504 13.126 -5.071 258 HA SER 38 HA SER 38 2.353 15.279 -4.813 259 HB2 SER 38 1HB SER 38 1.799 14.503 -7.022 260 HB3 SER 38 2HB SER 38 0.081 14.789 -6.748 261 HG SER 38 HG SER 38 0.360 16.806 -7.259 262 H LYS 39 H LYS 39 -1.123 14.935 -4.340 263 HA LYS 39 HA LYS 39 -1.601 17.712 -3.882 264 HB2 LYS 39 1HB LYS 39 -3.229 15.247 -3.259 265 HB3 LYS 39 2HB LYS 39 -3.799 16.885 -2.965 266 HG2 LYS 39 1HG LYS 39 -3.170 17.179 -5.514 267 HG3 LYS 39 2HG LYS 39 -3.425 15.433 -5.525 268 HD2 LYS 39 1HD LYS 39 -5.651 15.811 -4.484 269 HD3 LYS 39 2HD LYS 39 -5.390 17.548 -4.649 270 HE2 LYS 39 1HE LYS 39 -5.457 17.451 -6.986 271 HE3 LYS 39 2HE LYS 39 -5.195 15.708 -7.011 272 HZ1 LYS 39 1HZ LYS 39 -7.469 15.796 -5.680 273 HZ2 LYS 39 2HZ LYS 39 -7.411 15.730 -7.369 274 HZ3 LYS 39 3HZ LYS 39 -7.655 17.210 -6.589 275 H ALA 40 H ALA 40 -0.445 15.109 -1.955 276 HA ALA 40 HA ALA 40 -1.182 16.154 0.595 277 HB1 ALA 40 1HB ALA 40 0.729 14.039 -0.324 278 HB2 ALA 40 2HB ALA 40 0.683 14.550 1.364 279 HB3 ALA 40 3HB ALA 40 -0.758 13.869 0.609 280 H GLY 41 H GLY 41 1.732 16.340 -1.411 281 HA2 GLY 41 1HA GLY 41 2.705 18.718 -1.103 282 HA3 GLY 41 2HA GLY 41 2.931 18.172 0.552 283 H LEU 42 H LEU 42 5.093 18.039 0.736 284 HA LEU 42 HA LEU 42 6.513 16.370 -1.235 285 HB2 LEU 42 1HB LEU 42 8.551 17.636 -0.597 286 HB3 LEU 42 2HB LEU 42 7.319 18.605 -1.403 287 HG LEU 42 HG LEU 42 8.609 19.563 0.646 288 HD11 LEU 42 1HD1 LEU 42 6.897 20.822 -0.389 289 HD12 LEU 42 2HD1 LEU 42 6.515 20.786 1.332 290 HD13 LEU 42 3HD1 LEU 42 5.639 19.743 0.212 291 HD21 LEU 42 1HD2 LEU 42 6.430 18.006 2.032 292 HD22 LEU 42 2HD2 LEU 42 7.559 19.137 2.779 293 HD23 LEU 42 3HD2 LEU 42 8.149 17.620 2.099 294 H ALA 43 H ALA 43 5.121 15.825 1.439 295 HA ALA 43 HA ALA 43 7.225 15.036 3.222 296 HB1 ALA 43 1HB ALA 43 5.116 13.699 4.182 297 HB2 ALA 43 2HB ALA 43 5.381 15.419 4.476 298 HB3 ALA 43 3HB ALA 43 4.272 14.901 3.205 299 HA PRO 44 HA PRO 44 8.176 11.044 1.654 300 HB2 PRO 44 1HB PRO 44 8.800 9.738 3.951 301 HB3 PRO 44 2HB PRO 44 9.847 10.966 3.229 302 HG2 PRO 44 1HG PRO 44 7.905 11.226 5.492 303 HG3 PRO 44 2HG PRO 44 9.545 11.884 5.345 304 HD2 PRO 44 1HD PRO 44 7.331 13.381 4.914 305 HD3 PRO 44 2HD PRO 44 8.853 13.654 4.043 306 H LEU 45 H LEU 45 7.587 8.739 1.813 307 HA LEU 45 HA LEU 45 4.913 8.340 2.981 308 HB2 LEU 45 1HB LEU 45 4.514 8.525 0.678 309 HB3 LEU 45 2HB LEU 45 5.953 7.594 0.268 310 HG LEU 45 HG LEU 45 4.593 5.689 1.546 311 HD11 LEU 45 1HD1 LEU 45 2.527 6.342 2.057 312 HD12 LEU 45 2HD1 LEU 45 2.190 6.284 0.327 313 HD13 LEU 45 3HD1 LEU 45 2.661 7.806 1.083 314 HD21 LEU 45 1HD2 LEU 45 5.209 6.339 -1.101 315 HD22 LEU 45 2HD2 LEU 45 3.502 5.895 -1.111 316 HD23 LEU 45 3HD2 LEU 45 4.704 4.771 -0.473 317 H GLU 46 H GLU 46 4.539 6.426 4.005 318 HA GLU 46 HA GLU 46 6.740 4.470 4.030 319 HB2 GLU 46 1HB GLU 46 6.479 5.952 6.118 320 HB3 GLU 46 2HB GLU 46 5.013 5.033 6.428 321 HG2 GLU 46 1HG GLU 46 6.159 3.086 6.865 322 HG3 GLU 46 2HG GLU 46 7.580 3.595 5.954 323 H VAL 47 H VAL 47 6.175 2.292 4.244 324 HA VAL 47 HA VAL 47 3.324 1.626 4.195 325 HB VAL 47 HB VAL 47 5.271 0.539 2.159 326 HG11 VAL 47 1HG1 VAL 47 3.493 -1.018 2.820 327 HG12 VAL 47 2HG1 VAL 47 2.284 0.200 2.409 328 HG13 VAL 47 3HG1 VAL 47 3.312 -0.484 1.150 329 HG21 VAL 47 1HG2 VAL 47 3.986 1.831 0.511 330 HG22 VAL 47 2HG2 VAL 47 3.051 2.556 1.820 331 HG23 VAL 47 3HG2 VAL 47 4.780 2.875 1.691 332 H ARG 48 H ARG 48 2.847 -0.536 4.786 333 HA ARG 48 HA ARG 48 5.005 -2.281 5.612 334 HB2 ARG 48 1HB ARG 48 3.244 -0.830 7.549 335 HB3 ARG 48 2HB ARG 48 3.779 -2.461 7.930 336 HG2 ARG 48 1HG ARG 48 6.141 -1.487 7.340 337 HG3 ARG 48 2HG ARG 48 5.355 0.051 7.707 338 HD2 ARG 48 1HD ARG 48 5.099 -2.253 9.595 339 HD3 ARG 48 2HD ARG 48 6.566 -1.276 9.593 340 HE ARG 48 HE ARG 48 3.948 -0.490 10.527 341 HH11 ARG 48 1HH1 ARG 48 7.093 0.570 9.476 342 HH12 ARG 48 2HH1 ARG 48 6.987 2.104 10.273 343 HH21 ARG 48 1HH2 ARG 48 3.796 1.527 11.581 344 HH22 ARG 48 2HH2 ARG 48 5.111 2.648 11.470 345 H VAL 49 H VAL 49 4.424 -4.400 5.603 346 HA VAL 49 HA VAL 49 1.579 -4.991 5.100 347 HB VAL 49 HB VAL 49 4.003 -6.420 3.999 348 HG11 VAL 49 1HG1 VAL 49 1.953 -7.823 4.611 349 HG12 VAL 49 2HG1 VAL 49 1.143 -6.988 3.285 350 HG13 VAL 49 3HG1 VAL 49 2.578 -7.964 2.968 351 HG21 VAL 49 1HG2 VAL 49 2.002 -4.528 2.814 352 HG22 VAL 49 2HG2 VAL 49 3.763 -4.479 2.728 353 HG23 VAL 49 3HG2 VAL 49 2.868 -5.688 1.807 354 H LEU 50 H LEU 50 0.623 -6.242 6.556 355 HA LEU 50 HA LEU 50 2.316 -7.902 8.305 356 HB2 LEU 50 1HB LEU 50 -0.242 -6.422 8.808 357 HB3 LEU 50 2HB LEU 50 0.256 -7.760 9.840 358 HG LEU 50 HG LEU 50 0.796 -5.482 10.720 359 HD11 LEU 50 1HD1 LEU 50 2.874 -7.579 10.256 360 HD12 LEU 50 2HD1 LEU 50 2.008 -7.168 11.735 361 HD13 LEU 50 3HD1 LEU 50 3.275 -6.101 11.131 362 HD21 LEU 50 1HD2 LEU 50 3.103 -5.328 8.865 363 HD22 LEU 50 2HD2 LEU 50 2.214 -4.041 9.679 364 HD23 LEU 50 3HD2 LEU 50 1.529 -4.821 8.252 365 H GLY 51 H GLY 51 1.535 -9.972 8.930 366 HA2 GLY 51 1HA GLY 51 -0.184 -11.175 6.879 367 HA3 GLY 51 2HA GLY 51 0.927 -12.042 7.930 368 HA PRO 52 HA PRO 52 -3.552 -12.160 9.500 369 HB2 PRO 52 1HB PRO 52 -4.068 -14.767 8.941 370 HB3 PRO 52 2HB PRO 52 -4.411 -13.455 7.807 371 HG2 PRO 52 1HG PRO 52 -2.081 -15.333 7.884 372 HG3 PRO 52 2HG PRO 52 -3.026 -14.780 6.490 373 HD2 PRO 52 1HD PRO 52 -0.609 -13.733 7.120 374 HD3 PRO 52 2HD PRO 52 -1.897 -12.775 6.361 375 H ARG 53 H ARG 53 -1.111 -14.756 9.571 376 HA ARG 53 HA ARG 53 -1.858 -15.583 12.218 377 HB2 ARG 53 1HB ARG 53 0.693 -16.317 10.794 378 HB3 ARG 53 2HB ARG 53 -0.171 -17.234 12.021 379 HG2 ARG 53 1HG ARG 53 -0.985 -18.406 10.311 380 HG3 ARG 53 2HG ARG 53 -2.044 -17.019 10.044 381 HD2 ARG 53 1HD ARG 53 -0.336 -16.068 8.521 382 HD3 ARG 53 2HD ARG 53 0.623 -17.532 8.733 383 HE ARG 53 HE ARG 53 -1.678 -17.208 7.066 384 HH11 ARG 53 1HH1 ARG 53 0.154 -19.498 8.941 385 HH12 ARG 53 2HH1 ARG 53 -0.372 -20.869 8.022 386 HH21 ARG 53 1HH2 ARG 53 -2.379 -19.004 5.848 387 HH22 ARG 53 2HH2 ARG 53 -1.813 -20.587 6.262 388 H GLY 54 H GLY 54 0.499 -13.436 10.803 389 HA2 GLY 54 1HA GLY 54 1.095 -11.660 12.549 390 HA3 GLY 54 2HA GLY 54 1.723 -13.030 13.454 391 H LEU 55 H LEU 55 1.990 -12.858 9.982 392 HA LEU 55 HA LEU 55 4.886 -12.892 10.224 393 HB2 LEU 55 1HB LEU 55 4.000 -14.504 8.736 394 HB3 LEU 55 2HB LEU 55 2.988 -13.307 7.931 395 HG LEU 55 HG LEU 55 5.214 -12.239 7.190 396 HD11 LEU 55 1HD1 LEU 55 7.033 -13.924 6.935 397 HD12 LEU 55 2HD1 LEU 55 6.138 -14.979 8.028 398 HD13 LEU 55 3HD1 LEU 55 6.735 -13.422 8.601 399 HD21 LEU 55 1HD2 LEU 55 4.864 -13.201 5.191 400 HD22 LEU 55 2HD2 LEU 55 3.479 -13.943 5.992 401 HD23 LEU 55 3HD2 LEU 55 4.992 -14.837 5.838 402 H VAL 56 H VAL 56 6.273 -11.381 9.344 403 HA VAL 56 HA VAL 56 5.025 -8.834 8.540 404 HB VAL 56 HB VAL 56 7.659 -9.257 9.957 405 HG11 VAL 56 1HG1 VAL 56 6.478 -6.947 8.562 406 HG12 VAL 56 2HG1 VAL 56 7.163 -6.614 10.155 407 HG13 VAL 56 3HG1 VAL 56 8.167 -7.334 8.895 408 HG21 VAL 56 1HG2 VAL 56 5.440 -9.530 11.233 409 HG22 VAL 56 2HG2 VAL 56 6.663 -8.453 11.907 410 HG23 VAL 56 3HG2 VAL 56 5.282 -7.784 11.037 411 H GLU 57 H GLU 57 5.298 -8.380 6.465 412 HA GLU 57 HA GLU 57 7.721 -9.366 5.111 413 HB2 GLU 57 1HB GLU 57 4.960 -8.803 4.024 414 HB3 GLU 57 2HB GLU 57 6.357 -9.121 3.005 415 HG2 GLU 57 1HG GLU 57 4.933 -10.974 4.870 416 HG3 GLU 57 2HG GLU 57 5.274 -11.172 3.152 417 HA PRO 58 HA PRO 58 8.978 -5.188 4.515 418 HB2 PRO 58 1HB PRO 58 10.644 -5.551 2.402 419 HB3 PRO 58 2HB PRO 58 11.059 -6.043 4.049 420 HG2 PRO 58 1HG PRO 58 10.016 -7.699 1.784 421 HG3 PRO 58 2HG PRO 58 11.301 -8.076 2.947 422 HD2 PRO 58 1HD PRO 58 8.790 -9.059 3.183 423 HD3 PRO 58 2HD PRO 58 9.808 -8.692 4.591 424 H VAL 59 H VAL 59 9.257 -3.588 2.638 425 HA VAL 59 HA VAL 59 7.395 -4.059 0.437 426 HB VAL 59 HB VAL 59 7.161 -1.605 2.179 427 HG11 VAL 59 1HG1 VAL 59 6.568 -1.336 -0.208 428 HG12 VAL 59 2HG1 VAL 59 5.372 -2.620 -0.025 429 HG13 VAL 59 3HG1 VAL 59 5.194 -1.113 0.875 430 HG21 VAL 59 1HG2 VAL 59 4.827 -2.758 2.585 431 HG22 VAL 59 2HG2 VAL 59 5.750 -4.224 2.258 432 HG23 VAL 59 3HG2 VAL 59 6.227 -3.158 3.579 433 H ASN 60 H ASN 60 7.648 -2.599 -1.329 434 HA ASN 60 HA ASN 60 10.325 -1.412 -1.420 435 HB2 ASN 60 1HB ASN 60 9.888 -3.024 -3.169 436 HB3 ASN 60 2HB ASN 60 8.405 -2.190 -3.623 437 HD21 ASN 60 1HD2 ASN 60 8.494 -0.500 -4.992 438 HD22 ASN 60 2HD2 ASN 60 9.951 0.101 -5.700 439 H VAL 61 H VAL 61 10.681 0.715 -1.855 440 HA VAL 61 HA VAL 61 8.342 2.429 -2.346 441 HB VAL 61 HB VAL 61 10.514 2.981 -0.320 442 HG11 VAL 61 1HG1 VAL 61 8.709 4.899 0.128 443 HG12 VAL 61 2HG1 VAL 61 10.070 5.107 -0.976 444 HG13 VAL 61 3HG1 VAL 61 8.475 4.696 -1.608 445 HG21 VAL 61 1HG2 VAL 61 7.561 2.484 0.045 446 HG22 VAL 61 2HG2 VAL 61 8.855 1.359 0.455 447 HG23 VAL 61 3HG2 VAL 61 8.708 2.888 1.322 448 H VAL 62 H VAL 62 8.713 3.237 -4.311 449 HA VAL 62 HA VAL 62 11.328 4.489 -4.814 450 HB VAL 62 HB VAL 62 9.740 2.863 -6.806 451 HG11 VAL 62 1HG1 VAL 62 11.001 3.674 -8.488 452 HG12 VAL 62 2HG1 VAL 62 11.198 5.056 -7.409 453 HG13 VAL 62 3HG1 VAL 62 12.444 3.809 -7.484 454 HG21 VAL 62 1HG2 VAL 62 12.497 2.375 -5.686 455 HG22 VAL 62 2HG2 VAL 62 11.035 1.555 -5.138 456 HG23 VAL 62 3HG2 VAL 62 11.600 1.336 -6.794 457 H ASP 63 H ASP 63 11.212 6.534 -5.488 458 HA ASP 63 HA ASP 63 8.610 7.734 -5.892 459 HB2 ASP 63 1HB ASP 63 10.524 8.766 -4.550 460 HB3 ASP 63 2HB ASP 63 11.277 9.127 -6.102 461 H ASN 64 H ASN 64 7.749 8.391 -7.777 462 HA ASN 64 HA ASN 64 8.926 7.488 -10.222 463 HB2 ASN 64 1HB ASN 64 6.437 9.089 -9.617 464 HB3 ASN 64 2HB ASN 64 6.911 8.633 -11.251 465 HD21 ASN 64 1HD2 ASN 64 6.313 7.247 -8.051 466 HD22 ASN 64 2HD2 ASN 64 5.619 5.773 -8.628 467 H GLY 65 H GLY 65 8.313 10.667 -8.768 468 HA2 GLY 65 1HA GLY 65 10.090 12.343 -9.077 469 HA3 GLY 65 2HA GLY 65 10.188 11.808 -10.749 470 H ASP 66 H ASP 66 7.188 11.601 -10.827 471 HA ASP 66 HA ASP 66 6.730 14.376 -11.562 472 HB2 ASP 66 1HB ASP 66 5.278 11.795 -12.067 473 HB3 ASP 66 2HB ASP 66 4.477 13.338 -12.347 474 H GLY 67 H GLY 67 5.332 11.930 -9.403 475 HA2 GLY 67 1HA GLY 67 4.765 13.498 -7.260 476 HA3 GLY 67 2HA GLY 67 3.397 13.779 -8.328 477 H THR 68 H THR 68 5.112 10.726 -8.068 478 HA THR 68 HA THR 68 3.003 9.582 -6.415 479 HB THR 68 HB THR 68 2.532 7.757 -7.964 480 HG1 THR 68 1HG THR 68 3.669 7.481 -9.743 481 HG21 THR 68 1HG2 THR 68 1.113 8.920 -9.442 482 HG22 THR 68 2HG2 THR 68 2.189 10.315 -9.507 483 HG23 THR 68 3HG2 THR 68 1.273 9.978 -8.041 484 H HIS 69 H HIS 69 3.493 7.083 -6.219 485 HA HIS 69 HA HIS 69 6.360 6.546 -6.217 486 HB2 HIS 69 1HB HIS 69 4.681 6.305 -3.711 487 HB3 HIS 69 2HB HIS 69 6.383 5.880 -3.868 488 HD1 HIS 69 1HD HIS 69 8.019 7.675 -3.331 489 HD2 HIS 69 2HD HIS 69 4.217 9.185 -4.055 490 HE1 HIS 69 1HE HIS 69 8.157 10.128 -2.796 491 HE2 HIS 69 2HE HIS 69 5.824 11.004 -3.159 492 H THR 70 H THR 70 6.799 4.491 -6.728 493 HA THR 70 HA THR 70 4.555 2.660 -7.076 494 HB THR 70 HB THR 70 7.416 2.548 -8.033 495 HG1 THR 70 1HG THR 70 5.596 3.877 -9.047 496 HG21 THR 70 1HG2 THR 70 5.217 0.542 -8.543 497 HG22 THR 70 2HG2 THR 70 6.592 0.284 -7.469 498 HG23 THR 70 3HG2 THR 70 6.851 0.499 -9.200 499 H VAL 71 H VAL 71 4.256 0.828 -5.934 500 HA VAL 71 HA VAL 71 6.355 0.021 -4.033 501 HB VAL 71 HB VAL 71 3.398 0.035 -3.419 502 HG11 VAL 71 1HG1 VAL 71 5.288 -0.143 -1.211 503 HG12 VAL 71 2HG1 VAL 71 3.860 -1.118 -1.562 504 HG13 VAL 71 3HG1 VAL 71 5.402 -1.502 -2.327 505 HG21 VAL 71 1HG2 VAL 71 4.332 1.772 -1.664 506 HG22 VAL 71 2HG2 VAL 71 5.552 2.025 -2.912 507 HG23 VAL 71 3HG2 VAL 71 3.846 2.275 -3.283 508 H THR 72 H THR 72 7.046 -1.864 -4.833 509 HA THR 72 HA THR 72 5.069 -3.794 -5.835 510 HB THR 72 HB THR 72 6.976 -4.976 -6.852 511 HG1 THR 72 1HG THR 72 8.398 -3.040 -5.410 512 HG21 THR 72 1HG2 THR 72 5.791 -3.218 -8.117 513 HG22 THR 72 2HG2 THR 72 7.488 -3.341 -8.578 514 HG23 THR 72 3HG2 THR 72 6.953 -2.032 -7.526 515 H TYR 73 H TYR 73 4.866 -5.818 -4.974 516 HA TYR 73 HA TYR 73 6.706 -6.792 -2.975 517 HB2 TYR 73 1HB TYR 73 5.282 -6.783 -1.109 518 HB3 TYR 73 2HB TYR 73 5.064 -5.185 -1.814 519 HD1 TYR 73 1HD TYR 73 2.997 -4.665 -3.081 520 HD2 TYR 73 2HD TYR 73 3.482 -8.349 -1.009 521 HE1 TYR 73 1HE TYR 73 0.570 -5.045 -3.203 522 HE2 TYR 73 2HE TYR 73 1.057 -8.740 -1.126 523 HH TYR 73 HH TYR 73 -1.149 -6.290 -2.214 524 H THR 74 H THR 74 5.439 -8.825 -1.872 525 HA THR 74 HA THR 74 3.793 -10.252 -3.767 526 HB THR 74 HB THR 74 6.587 -11.237 -3.160 527 HG1 THR 74 1HG THR 74 7.029 -10.365 -5.028 528 HG21 THR 74 1HG2 THR 74 4.632 -12.938 -3.233 529 HG22 THR 74 2HG2 THR 74 6.075 -13.258 -4.194 530 HG23 THR 74 3HG2 THR 74 4.627 -12.611 -4.965 531 HA PRO 75 HA PRO 75 2.556 -11.566 0.341 532 HB2 PRO 75 1HB PRO 75 0.256 -12.756 -0.474 533 HB3 PRO 75 2HB PRO 75 0.413 -11.007 -0.271 534 HG2 PRO 75 1HG PRO 75 0.560 -12.645 -2.772 535 HG3 PRO 75 2HG PRO 75 -0.262 -11.099 -2.495 536 HD2 PRO 75 1HD PRO 75 2.144 -11.268 -3.726 537 HD3 PRO 75 2HD PRO 75 1.683 -9.880 -2.719 538 H SER 76 H SER 76 4.270 -13.100 0.546 539 HA SER 76 HA SER 76 4.822 -15.408 -0.655 540 HB2 SER 76 1HB SER 76 4.618 -14.888 2.308 541 HB3 SER 76 2HB SER 76 5.239 -16.410 1.669 542 HG SER 76 HG SER 76 6.310 -14.066 0.622 543 H GLN 77 H GLN 77 2.325 -15.238 1.889 544 HA GLN 77 HA GLN 77 1.043 -17.580 0.640 545 HB2 GLN 77 1HB GLN 77 0.230 -18.224 2.845 546 HB3 GLN 77 2HB GLN 77 1.984 -18.100 2.849 547 HG2 GLN 77 1HG GLN 77 1.458 -15.653 3.682 548 HG3 GLN 77 2HG GLN 77 -0.044 -16.413 4.205 549 HE21 GLN 77 1HE2 GLN 77 0.999 -15.623 6.284 550 HE22 GLN 77 2HE2 GLN 77 1.991 -16.762 7.121 551 H GLU 78 H GLU 78 -1.338 -17.719 1.120 552 HA GLU 78 HA GLU 78 -2.545 -15.166 0.477 553 HB2 GLU 78 1HB GLU 78 -4.572 -16.446 0.055 554 HB3 GLU 78 2HB GLU 78 -3.201 -17.193 -0.753 555 HG2 GLU 78 1HG GLU 78 -3.235 -19.037 0.578 556 HG3 GLU 78 2HG GLU 78 -3.903 -18.166 1.958 557 H GLY 79 H GLY 79 -4.779 -14.753 1.531 558 HA2 GLY 79 1HA GLY 79 -5.994 -15.234 3.692 559 HA3 GLY 79 2HA GLY 79 -4.424 -15.017 4.451 560 HA PRO 80 HA PRO 80 -6.847 -10.968 4.214 561 HB2 PRO 80 1HB PRO 80 -7.201 -10.638 6.886 562 HB3 PRO 80 2HB PRO 80 -8.356 -11.501 5.863 563 HG2 PRO 80 1HG PRO 80 -6.218 -12.599 7.648 564 HG3 PRO 80 2HG PRO 80 -7.888 -13.155 7.429 565 HD2 PRO 80 1HD PRO 80 -5.781 -14.369 6.238 566 HD3 PRO 80 2HD PRO 80 -7.389 -14.293 5.488 567 H TYR 81 H TYR 81 -4.790 -10.160 3.529 568 HA TYR 81 HA TYR 81 -2.770 -9.615 5.535 569 HB2 TYR 81 1HB TYR 81 -2.950 -9.434 2.576 570 HB3 TYR 81 2HB TYR 81 -1.840 -8.324 3.374 571 HD1 TYR 81 1HD TYR 81 -2.743 -11.916 3.920 572 HD2 TYR 81 2HD TYR 81 0.333 -9.066 3.193 573 HE1 TYR 81 1HE TYR 81 -1.062 -13.706 4.053 574 HE2 TYR 81 2HE TYR 81 2.022 -10.849 3.323 575 HH TYR 81 HH TYR 81 1.606 -13.812 2.915 576 H MET 82 H MET 82 -1.842 -7.396 5.691 577 HA MET 82 HA MET 82 -3.827 -5.276 5.290 578 HB2 MET 82 1HB MET 82 -4.067 -6.067 7.606 579 HB3 MET 82 2HB MET 82 -2.355 -5.774 7.884 580 HG2 MET 82 1HG MET 82 -2.611 -3.465 7.818 581 HG3 MET 82 2HG MET 82 -4.168 -3.567 6.998 582 HE1 MET 82 1HE MET 82 -2.576 -5.096 10.360 583 HE2 MET 82 2HE MET 82 -2.246 -3.367 10.240 584 HE3 MET 82 3HE MET 82 -3.342 -3.973 11.484 585 H VAL 83 H VAL 83 -2.917 -3.687 4.181 586 HA VAL 83 HA VAL 83 -0.005 -3.320 4.355 587 HB VAL 83 HB VAL 83 -1.942 -2.405 2.225 588 HG11 VAL 83 1HG1 VAL 83 -0.401 -0.882 1.711 589 HG12 VAL 83 2HG1 VAL 83 0.744 -1.548 2.878 590 HG13 VAL 83 3HG1 VAL 83 0.651 -2.220 1.249 591 HG21 VAL 83 1HG2 VAL 83 0.257 -4.214 1.530 592 HG22 VAL 83 2HG2 VAL 83 -0.955 -4.914 2.602 593 HG23 VAL 83 3HG2 VAL 83 -1.438 -4.247 1.043 594 H SER 84 H SER 84 0.223 -1.979 6.103 595 HA SER 84 HA SER 84 -1.426 0.361 6.430 596 HB2 SER 84 1HB SER 84 -0.577 -0.850 8.393 597 HB3 SER 84 2HB SER 84 1.078 -0.493 7.904 598 HG SER 84 HG SER 84 -0.849 1.521 8.400 599 H VAL 85 H VAL 85 -0.852 2.488 6.127 600 HA VAL 85 HA VAL 85 1.773 3.052 4.949 601 HB VAL 85 HB VAL 85 -0.861 3.876 3.720 602 HG11 VAL 85 1HG1 VAL 85 0.202 5.679 2.968 603 HG12 VAL 85 2HG1 VAL 85 1.741 5.121 3.626 604 HG13 VAL 85 3HG1 VAL 85 1.225 4.599 2.022 605 HG21 VAL 85 1HG2 VAL 85 -0.543 1.807 2.827 606 HG22 VAL 85 2HG2 VAL 85 0.472 2.731 1.720 607 HG23 VAL 85 3HG2 VAL 85 1.204 1.851 3.062 608 H LYS 86 H LYS 86 2.573 5.082 5.367 609 HA LYS 86 HA LYS 86 0.871 6.886 6.952 610 HB2 LYS 86 1HB LYS 86 2.757 5.431 8.149 611 HB3 LYS 86 2HB LYS 86 3.781 6.739 7.571 612 HG2 LYS 86 1HG LYS 86 2.436 8.362 8.761 613 HG3 LYS 86 2HG LYS 86 1.329 7.090 9.284 614 HD2 LYS 86 1HD LYS 86 3.237 5.996 10.451 615 HD3 LYS 86 2HD LYS 86 4.238 7.388 10.027 616 HE2 LYS 86 1HE LYS 86 3.566 8.066 12.088 617 HE3 LYS 86 2HE LYS 86 2.208 8.689 11.150 618 HZ1 LYS 86 1HZ LYS 86 2.321 6.283 12.856 619 HZ2 LYS 86 2HZ LYS 86 1.152 6.428 11.641 620 HZ3 LYS 86 3HZ LYS 86 1.213 7.561 12.896 621 H TYR 87 H TYR 87 1.882 9.119 7.117 622 HA TYR 87 HA TYR 87 3.628 9.869 4.935 623 HB2 TYR 87 1HB TYR 87 1.098 9.762 4.178 624 HB3 TYR 87 2HB TYR 87 1.016 11.319 4.994 625 HD1 TYR 87 1HD TYR 87 2.892 9.474 2.362 626 HD2 TYR 87 2HD TYR 87 1.700 13.262 3.891 627 HE1 TYR 87 1HE TYR 87 3.803 10.565 0.354 628 HE2 TYR 87 2HE TYR 87 2.607 14.363 1.887 629 HH TYR 87 HH TYR 87 4.253 12.501 -0.647 630 H ALA 88 H ALA 88 5.029 11.175 5.893 631 HA ALA 88 HA ALA 88 5.934 12.817 7.183 632 HB1 ALA 88 1HB ALA 88 4.877 14.864 7.193 633 HB2 ALA 88 2HB ALA 88 4.073 14.060 5.844 634 HB3 ALA 88 3HB ALA 88 3.277 14.159 7.414 635 H ASP 89 H ASP 89 4.932 10.486 8.493 636 HA ASP 89 HA ASP 89 4.708 9.701 10.619 637 HB2 ASP 89 1HB ASP 89 4.914 12.574 11.534 638 HB3 ASP 89 2HB ASP 89 5.226 11.125 12.486 639 H GLU 90 H GLU 90 2.426 10.374 9.033 640 HA GLU 90 HA GLU 90 0.453 10.544 11.165 641 HB2 GLU 90 1HB GLU 90 0.458 12.401 8.781 642 HB3 GLU 90 2HB GLU 90 -0.906 12.191 9.870 643 HG2 GLU 90 1HG GLU 90 0.730 12.856 11.728 644 HG3 GLU 90 2HG GLU 90 1.760 13.434 10.420 645 H GLU 91 H GLU 91 -0.457 8.600 10.881 646 HA GLU 91 HA GLU 91 -0.638 7.104 8.579 647 HB2 GLU 91 1HB GLU 91 -2.110 7.163 11.149 648 HB3 GLU 91 2HB GLU 91 -2.888 6.303 9.830 649 HG2 GLU 91 1HG GLU 91 -1.324 4.658 9.786 650 HG3 GLU 91 2HG GLU 91 -0.032 5.719 10.346 651 H ILE 92 H ILE 92 -1.615 7.434 6.705 652 HA ILE 92 HA ILE 92 -3.316 9.577 6.151 653 HB ILE 92 HB ILE 92 -3.808 8.437 4.015 654 HG12 ILE 92 1HG1 ILE 92 -2.122 6.185 5.129 655 HG13 ILE 92 2HG1 ILE 92 -3.873 6.128 4.956 656 HG21 ILE 92 1HG2 ILE 92 -0.929 8.438 4.903 657 HG22 ILE 92 2HG2 ILE 92 -1.452 8.309 3.224 658 HG23 ILE 92 3HG2 ILE 92 -1.815 9.764 4.152 659 HD11 ILE 92 1HD1 ILE 92 -2.734 6.881 2.461 660 HD12 ILE 92 2HD1 ILE 92 -1.907 5.445 3.065 661 HD13 ILE 92 3HD1 ILE 92 -3.660 5.437 2.873 662 HA PRO 93 HA PRO 93 -7.335 8.300 7.379 663 HB2 PRO 93 1HB PRO 93 -8.862 9.475 5.467 664 HB3 PRO 93 2HB PRO 93 -8.058 10.388 6.750 665 HG2 PRO 93 1HG PRO 93 -7.212 9.968 3.909 666 HG3 PRO 93 2HG PRO 93 -7.171 11.451 4.881 667 HD2 PRO 93 1HD PRO 93 -4.973 9.930 4.453 668 HD3 PRO 93 2HD PRO 93 -5.224 10.845 5.954 669 H ARG 94 H ARG 94 -5.794 6.962 4.830 670 HA ARG 94 HA ARG 94 -8.106 5.278 4.116 671 HB2 ARG 94 1HB ARG 94 -5.716 6.007 2.412 672 HB3 ARG 94 2HB ARG 94 -6.975 4.870 1.948 673 HG2 ARG 94 1HG ARG 94 -7.669 7.681 2.692 674 HG3 ARG 94 2HG ARG 94 -7.081 7.293 1.075 675 HD2 ARG 94 1HD ARG 94 -8.892 5.714 0.764 676 HD3 ARG 94 2HD ARG 94 -9.449 5.992 2.413 677 HE ARG 94 HE ARG 94 -9.373 8.421 0.957 678 HH11 ARG 94 1HH1 ARG 94 -11.206 5.483 1.313 679 HH12 ARG 94 2HH1 ARG 94 -12.699 6.198 0.802 680 HH21 ARG 94 1HH2 ARG 94 -11.332 9.374 0.281 681 HH22 ARG 94 2HH2 ARG 94 -12.769 8.411 0.213 682 H SER 95 H SER 95 -5.585 5.248 6.050 683 HA SER 95 HA SER 95 -4.913 2.434 5.485 684 HB2 SER 95 1HB SER 95 -2.833 3.343 5.194 685 HB3 SER 95 2HB SER 95 -3.186 4.743 6.207 686 HG SER 95 HG SER 95 -2.518 3.685 7.921 687 HA PRO 96 HA PRO 96 -3.400 1.047 6.687 688 HB2 PRO 96 1HB PRO 96 -4.218 -1.417 7.482 689 HB3 PRO 96 2HB PRO 96 -3.098 -0.427 8.424 690 HG2 PRO 96 1HG PRO 96 -6.045 -0.815 8.781 691 HG3 PRO 96 2HG PRO 96 -4.766 -0.773 10.008 692 HD2 PRO 96 1HD PRO 96 -6.366 1.351 9.499 693 HD3 PRO 96 2HD PRO 96 -4.679 1.531 10.020 694 H PHE 97 H PHE 97 -3.801 -0.936 5.208 695 HA PHE 97 HA PHE 97 -6.409 -0.576 3.886 696 HB2 PHE 97 1HB PHE 97 -3.687 -1.162 2.717 697 HB3 PHE 97 2HB PHE 97 -5.181 -1.325 1.799 698 HD1 PHE 97 2HD PHE 97 -3.156 1.114 3.727 699 HD2 PHE 97 1HD PHE 97 -6.123 0.516 0.733 700 HE1 PHE 97 2HE PHE 97 -3.062 3.507 3.162 701 HE2 PHE 97 1HE PHE 97 -6.033 2.908 0.162 702 HZ PHE 97 HZ PHE 97 -4.503 4.407 1.378 703 H LYS 98 H LYS 98 -7.684 -2.301 3.711 704 HA LYS 98 HA LYS 98 -6.718 -4.867 4.668 705 HB2 LYS 98 1HB LYS 98 -9.079 -5.544 4.569 706 HB3 LYS 98 2HB LYS 98 -8.869 -4.055 5.482 707 HG2 LYS 98 1HG LYS 98 -9.384 -2.969 3.124 708 HG3 LYS 98 2HG LYS 98 -10.199 -4.515 2.873 709 HD2 LYS 98 1HD LYS 98 -11.861 -3.121 3.754 710 HD3 LYS 98 2HD LYS 98 -11.320 -4.078 5.135 711 HE2 LYS 98 1HE LYS 98 -9.797 -2.194 5.744 712 HE3 LYS 98 2HE LYS 98 -10.543 -1.244 4.460 713 HZ1 LYS 98 1HZ LYS 98 -11.552 -0.745 6.580 714 HZ2 LYS 98 2HZ LYS 98 -11.932 -2.374 6.829 715 HZ3 LYS 98 3HZ LYS 98 -12.682 -1.512 5.582 716 H VAL 99 H VAL 99 -5.710 -6.136 3.255 717 HA VAL 99 HA VAL 99 -6.883 -6.431 0.567 718 HB VAL 99 HB VAL 99 -3.949 -6.511 1.285 719 HG11 VAL 99 1HG1 VAL 99 -4.745 -6.502 -1.539 720 HG12 VAL 99 2HG1 VAL 99 -3.476 -7.414 -0.718 721 HG13 VAL 99 3HG1 VAL 99 -5.147 -7.979 -0.663 722 HG21 VAL 99 1HG2 VAL 99 -4.224 -4.636 -0.657 723 HG22 VAL 99 2HG2 VAL 99 -5.733 -4.429 0.230 724 HG23 VAL 99 3HG2 VAL 99 -4.189 -4.284 1.071 725 H LYS 100 H LYS 100 -7.964 -8.314 0.776 726 HA LYS 100 HA LYS 100 -6.833 -10.550 2.218 727 HB2 LYS 100 1HB LYS 100 -9.227 -10.168 2.352 728 HB3 LYS 100 2HB LYS 100 -9.375 -10.274 0.603 729 HG2 LYS 100 1HG LYS 100 -8.374 -12.655 0.940 730 HG3 LYS 100 2HG LYS 100 -8.929 -12.441 2.602 731 HD2 LYS 100 1HD LYS 100 -11.183 -11.809 1.593 732 HD3 LYS 100 2HD LYS 100 -10.556 -12.451 0.073 733 HE2 LYS 100 1HE LYS 100 -10.527 -14.613 0.845 734 HE3 LYS 100 2HE LYS 100 -10.350 -14.124 2.529 735 HZ1 LYS 100 1HZ LYS 100 -12.630 -15.005 1.466 736 HZ2 LYS 100 2HZ LYS 100 -12.834 -13.339 1.259 737 HZ3 LYS 100 3HZ LYS 100 -12.560 -13.972 2.804 738 H VAL 101 H VAL 101 -5.148 -11.505 1.235 739 HA VAL 101 HA VAL 101 -4.870 -11.735 -1.586 740 HB VAL 101 HB VAL 101 -3.428 -13.245 0.597 741 HG11 VAL 101 1HG1 VAL 101 -3.056 -14.454 -1.372 742 HG12 VAL 101 2HG1 VAL 101 -2.960 -12.993 -2.358 743 HG13 VAL 101 3HG1 VAL 101 -1.654 -13.394 -1.241 744 HG21 VAL 101 1HG2 VAL 101 -2.085 -11.476 0.900 745 HG22 VAL 101 2HG2 VAL 101 -2.021 -11.111 -0.824 746 HG23 VAL 101 3HG2 VAL 101 -3.381 -10.548 0.146 747 H LEU 102 H LEU 102 -5.157 -13.486 -2.932 748 HA LEU 102 HA LEU 102 -6.777 -15.681 -1.823 749 HB2 LEU 102 1HB LEU 102 -6.783 -14.335 -4.503 750 HB3 LEU 102 2HB LEU 102 -7.480 -15.939 -4.280 751 HG LEU 102 HG LEU 102 -8.370 -13.507 -2.738 752 HD11 LEU 102 1HD1 LEU 102 -8.665 -13.525 -5.332 753 HD12 LEU 102 2HD1 LEU 102 -10.010 -13.070 -4.287 754 HD13 LEU 102 3HD1 LEU 102 -9.941 -14.690 -4.980 755 HD21 LEU 102 1HD2 LEU 102 -8.878 -15.610 -1.654 756 HD22 LEU 102 2HD2 LEU 102 -9.576 -16.242 -3.146 757 HD23 LEU 102 3HD2 LEU 102 -10.355 -14.901 -2.305 758 HA PRO 103 HA PRO 103 -3.758 -18.641 -3.001 759 HB2 PRO 103 1HB PRO 103 -5.316 -20.742 -3.730 760 HB3 PRO 103 2HB PRO 103 -5.113 -20.234 -2.049 761 HG2 PRO 103 1HG PRO 103 -7.354 -19.651 -3.947 762 HG3 PRO 103 2HG PRO 103 -7.428 -20.107 -2.236 763 HD2 PRO 103 1HD PRO 103 -7.708 -17.549 -3.076 764 HD3 PRO 103 2HD PRO 103 -6.969 -17.966 -1.516 765 H THR 104 H THR 104 -2.537 -18.538 -4.770 766 HA THR 104 HA THR 104 -3.044 -17.649 -7.233 767 HB THR 104 HB THR 104 -1.299 -20.017 -6.547 768 HG1 THR 104 1HG THR 104 -0.548 -17.348 -7.179 769 HG21 THR 104 1HG2 THR 104 -1.198 -18.372 -9.074 770 HG22 THR 104 2HG2 THR 104 -1.971 -19.953 -8.969 771 HG23 THR 104 3HG2 THR 104 -0.239 -19.798 -8.677 772 H TYR 105 H TYR 105 -4.015 -20.783 -6.019 773 HA TYR 105 HA TYR 105 -5.247 -21.393 -8.622 774 HB2 TYR 105 1HB TYR 105 -4.182 -23.125 -6.421 775 HB3 TYR 105 2HB TYR 105 -5.437 -23.748 -7.488 776 HD1 TYR 105 1HD TYR 105 -2.260 -21.805 -7.891 777 HD2 TYR 105 2HD TYR 105 -4.652 -25.073 -9.194 778 HE1 TYR 105 1HE TYR 105 -0.546 -22.388 -9.556 779 HE2 TYR 105 2HE TYR 105 -2.943 -25.667 -10.861 780 HH TYR 105 HH TYR 105 -0.343 -23.591 -11.645 781 H ASP 106 H ASP 106 -7.352 -22.497 -8.546 782 HA ASP 106 HA ASP 106 -9.054 -21.266 -6.513 783 HB2 ASP 106 1HB ASP 106 -10.919 -21.899 -8.042 784 HB3 ASP 106 2HB ASP 106 -9.723 -20.847 -8.796 785 H ALA 107 H ALA 107 -9.374 -22.461 -4.754 786 HA ALA 107 HA ALA 107 -9.309 -25.354 -4.873 787 HB1 ALA 107 1HB ALA 107 -8.739 -23.440 -2.913 788 HB2 ALA 107 2HB ALA 107 -10.147 -24.323 -2.323 789 HB3 ALA 107 3HB ALA 107 -8.676 -25.195 -2.751 790 H SER 108 H SER 108 -11.409 -24.304 -6.381 791 HA SER 108 HA SER 108 -13.717 -25.309 -4.862 792 HB2 SER 108 1HB SER 108 -13.814 -22.955 -6.762 793 HB3 SER 108 2HB SER 108 -15.157 -23.607 -5.825 794 HG SER 108 HG SER 108 -14.500 -22.498 -4.173 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -10.430 35.262 -6.937 2 HA2 GLY 1 1HA GLY 1 -8.135 35.414 -6.861 3 HA3 GLY 1 2HA GLY 1 -8.328 36.959 -6.046 4 H SER 2 H SER 2 -8.513 37.001 -3.758 5 HA SER 2 HA SER 2 -7.797 36.425 -1.675 6 HB2 SER 2 1HB SER 2 -9.789 34.997 -1.769 7 HB3 SER 2 2HB SER 2 -8.847 33.714 -2.526 8 HG SER 2 HG SER 2 -9.061 33.394 -0.275 9 H SER 3 H SER 3 -5.776 36.469 -3.572 10 HA SER 3 HA SER 3 -4.149 34.312 -3.925 11 HB2 SER 3 1HB SER 3 -3.640 36.536 -4.828 12 HB3 SER 3 2HB SER 3 -3.259 37.117 -3.206 13 HG SER 3 HG SER 3 -1.321 36.427 -3.591 14 H GLY 4 H GLY 4 -2.090 33.737 -2.812 15 HA2 GLY 4 1HA GLY 4 -1.196 34.260 -0.350 16 HA3 GLY 4 2HA GLY 4 -2.641 33.328 0.016 17 H SER 5 H SER 5 0.633 33.155 -0.544 18 HA SER 5 HA SER 5 0.597 30.452 -1.630 19 HB2 SER 5 1HB SER 5 2.854 32.342 -0.940 20 HB3 SER 5 2HB SER 5 3.108 30.696 -1.521 21 HG SER 5 HG SER 5 3.148 31.984 -3.305 22 H SER 6 H SER 6 1.117 28.631 -0.516 23 HA SER 6 HA SER 6 2.036 28.851 2.245 24 HB2 SER 6 1HB SER 6 0.258 27.354 3.068 25 HB3 SER 6 2HB SER 6 -0.412 28.853 2.424 26 HG SER 6 HG SER 6 -0.763 27.651 0.437 27 H GLY 7 H GLY 7 2.771 26.800 3.135 28 HA2 GLY 7 1HA GLY 7 3.224 24.682 1.154 29 HA3 GLY 7 2HA GLY 7 4.621 25.414 1.929 30 H VAL 8 H VAL 8 1.486 23.966 2.822 31 HA VAL 8 HA VAL 8 2.800 22.790 5.177 32 HB VAL 8 HB VAL 8 0.811 24.229 5.597 33 HG11 VAL 8 1HG1 VAL 8 -0.632 22.057 4.084 34 HG12 VAL 8 2HG1 VAL 8 -1.418 23.312 5.043 35 HG13 VAL 8 3HG1 VAL 8 -0.480 23.750 3.614 36 HG21 VAL 8 1HG2 VAL 8 0.467 21.316 6.307 37 HG22 VAL 8 2HG2 VAL 8 1.461 22.484 7.180 38 HG23 VAL 8 3HG2 VAL 8 -0.292 22.677 7.133 39 H VAL 9 H VAL 9 2.163 20.604 5.792 40 HA VAL 9 HA VAL 9 1.890 18.901 3.425 41 HB VAL 9 HB VAL 9 2.820 18.297 6.231 42 HG11 VAL 9 1HG1 VAL 9 2.148 16.468 3.959 43 HG12 VAL 9 2HG1 VAL 9 3.403 16.033 5.122 44 HG13 VAL 9 3HG1 VAL 9 1.750 16.317 5.671 45 HG21 VAL 9 1HG2 VAL 9 4.124 18.896 3.668 46 HG22 VAL 9 2HG2 VAL 9 4.715 19.099 5.317 47 HG23 VAL 9 3HG2 VAL 9 4.793 17.518 4.540 48 H ASP 10 H ASP 10 0.187 17.595 3.081 49 HA ASP 10 HA ASP 10 -1.817 17.337 5.222 50 HB2 ASP 10 1HB ASP 10 -2.228 18.087 2.337 51 HB3 ASP 10 2HB ASP 10 -3.520 17.350 3.281 52 HA PRO 11 HA PRO 11 -0.743 13.095 3.982 53 HB2 PRO 11 1HB PRO 11 -1.483 11.997 6.354 54 HB3 PRO 11 2HB PRO 11 0.093 12.759 6.096 55 HG2 PRO 11 1HG PRO 11 -2.365 13.879 7.387 56 HG3 PRO 11 2HG PRO 11 -0.674 14.009 7.902 57 HD2 PRO 11 1HD PRO 11 -1.958 16.006 6.599 58 HD3 PRO 11 2HD PRO 11 -0.218 15.705 6.408 59 H SER 12 H SER 12 -3.606 14.713 4.524 60 HA SER 12 HA SER 12 -5.276 12.318 4.261 61 HB2 SER 12 1HB SER 12 -7.116 13.639 4.957 62 HB3 SER 12 2HB SER 12 -5.772 14.151 5.977 63 HG SER 12 HG SER 12 -5.552 15.746 4.033 64 H LYS 13 H LYS 13 -3.603 14.050 2.206 65 HA LYS 13 HA LYS 13 -5.745 14.234 0.192 66 HB2 LYS 13 1HB LYS 13 -3.065 15.627 0.135 67 HB3 LYS 13 2HB LYS 13 -4.413 15.882 -0.965 68 HG2 LYS 13 1HG LYS 13 -4.851 16.340 1.939 69 HG3 LYS 13 2HG LYS 13 -3.928 17.532 1.022 70 HD2 LYS 13 1HD LYS 13 -6.063 18.350 0.776 71 HD3 LYS 13 2HD LYS 13 -5.930 17.333 -0.661 72 HE2 LYS 13 1HE LYS 13 -7.195 15.600 0.335 73 HE3 LYS 13 2HE LYS 13 -7.074 16.332 1.935 74 HZ1 LYS 13 1HZ LYS 13 -9.055 16.723 -0.006 75 HZ2 LYS 13 2HZ LYS 13 -8.251 18.195 0.217 76 HZ3 LYS 13 3HZ LYS 13 -8.952 17.405 1.538 77 H VAL 14 H VAL 14 -3.173 12.378 1.172 78 HA VAL 14 HA VAL 14 -2.237 11.632 -1.471 79 HB VAL 14 HB VAL 14 -0.511 11.589 0.113 80 HG11 VAL 14 1HG1 VAL 14 -2.468 10.180 1.905 81 HG12 VAL 14 2HG1 VAL 14 -0.735 10.209 2.238 82 HG13 VAL 14 3HG1 VAL 14 -1.647 11.718 2.170 83 HG21 VAL 14 1HG2 VAL 14 -0.915 9.462 -1.344 84 HG22 VAL 14 2HG2 VAL 14 0.332 9.452 -0.097 85 HG23 VAL 14 3HG2 VAL 14 -1.230 8.692 0.211 86 H LYS 15 H LYS 15 -3.009 10.012 -2.657 87 HA LYS 15 HA LYS 15 -4.713 7.998 -1.342 88 HB2 LYS 15 1HB LYS 15 -5.108 9.220 -4.081 89 HB3 LYS 15 2HB LYS 15 -6.083 7.929 -3.391 90 HG2 LYS 15 1HG LYS 15 -6.845 9.424 -1.630 91 HG3 LYS 15 2HG LYS 15 -5.838 10.719 -2.282 92 HD2 LYS 15 1HD LYS 15 -7.858 9.367 -4.027 93 HD3 LYS 15 2HD LYS 15 -8.369 10.615 -2.889 94 HE2 LYS 15 1HE LYS 15 -6.096 11.079 -4.788 95 HE3 LYS 15 2HE LYS 15 -7.768 11.312 -5.295 96 HZ1 LYS 15 1HZ LYS 15 -6.243 13.188 -4.113 97 HZ2 LYS 15 2HZ LYS 15 -7.108 12.581 -2.793 98 HZ3 LYS 15 3HZ LYS 15 -7.934 13.198 -4.134 99 H ILE 16 H ILE 16 -4.966 5.995 -2.736 100 HA ILE 16 HA ILE 16 -2.639 5.436 -4.410 101 HB ILE 16 HB ILE 16 -2.048 3.415 -3.241 102 HG12 ILE 16 1HG1 ILE 16 -4.239 4.136 -1.281 103 HG13 ILE 16 2HG1 ILE 16 -4.292 2.809 -2.437 104 HG21 ILE 16 1HG2 ILE 16 -0.787 5.177 -2.416 105 HG22 ILE 16 2HG2 ILE 16 -2.170 5.924 -1.617 106 HG23 ILE 16 3HG2 ILE 16 -1.453 4.457 -0.950 107 HD11 ILE 16 1HD1 ILE 16 -2.180 1.966 -1.255 108 HD12 ILE 16 2HD1 ILE 16 -2.633 3.084 0.033 109 HD13 ILE 16 3HD1 ILE 16 -3.732 1.786 -0.436 110 H ALA 17 H ALA 17 -3.060 4.062 -6.053 111 HA ALA 17 HA ALA 17 -5.468 2.406 -5.959 112 HB1 ALA 17 1HB ALA 17 -6.087 3.181 -8.262 113 HB2 ALA 17 2HB ALA 17 -6.307 4.382 -6.988 114 HB3 ALA 17 3HB ALA 17 -4.914 4.485 -8.067 115 H GLY 18 H GLY 18 -5.388 0.570 -7.243 116 HA2 GLY 18 1HA GLY 18 -3.878 -0.102 -9.369 117 HA3 GLY 18 2HA GLY 18 -2.722 -0.228 -8.051 118 HA PRO 19 HA PRO 19 -5.168 -4.220 -8.594 119 HB2 PRO 19 1HB PRO 19 -3.057 -5.791 -9.261 120 HB3 PRO 19 2HB PRO 19 -4.021 -4.919 -10.459 121 HG2 PRO 19 1HG PRO 19 -1.373 -4.193 -9.263 122 HG3 PRO 19 2HG PRO 19 -1.908 -4.082 -10.950 123 HD2 PRO 19 1HD PRO 19 -1.838 -1.936 -9.300 124 HD3 PRO 19 2HD PRO 19 -3.042 -2.108 -10.593 125 H GLY 20 H GLY 20 -1.924 -3.647 -7.254 126 HA2 GLY 20 1HA GLY 20 -1.710 -5.745 -5.490 127 HA3 GLY 20 2HA GLY 20 -1.057 -4.143 -5.183 128 H LEU 21 H LEU 21 -3.730 -2.905 -5.203 129 HA LEU 21 HA LEU 21 -4.459 -3.619 -2.465 130 HB2 LEU 21 1HB LEU 21 -5.439 -1.289 -4.098 131 HB3 LEU 21 2HB LEU 21 -5.571 -1.506 -2.355 132 HG LEU 21 HG LEU 21 -2.915 -1.236 -3.740 133 HD11 LEU 21 1HD1 LEU 21 -4.798 0.899 -2.791 134 HD12 LEU 21 2HD1 LEU 21 -3.956 0.772 -4.336 135 HD13 LEU 21 3HD1 LEU 21 -3.054 1.159 -2.870 136 HD21 LEU 21 1HD2 LEU 21 -3.410 -2.085 -1.267 137 HD22 LEU 21 2HD2 LEU 21 -3.459 -0.348 -0.964 138 HD23 LEU 21 3HD2 LEU 21 -2.014 -1.082 -1.660 139 H GLY 22 H GLY 22 -5.619 -3.856 -5.700 140 HA2 GLY 22 1HA GLY 22 -8.378 -3.962 -5.333 141 HA3 GLY 22 2HA GLY 22 -7.499 -4.831 -6.583 142 H SER 23 H SER 23 -9.776 -5.896 -5.468 143 HA SER 23 HA SER 23 -9.031 -7.762 -3.386 144 HB2 SER 23 1HB SER 23 -11.352 -8.553 -3.564 145 HB3 SER 23 2HB SER 23 -11.294 -6.796 -3.421 146 HG SER 23 HG SER 23 -12.610 -7.040 -5.096 147 H GLY 24 H GLY 24 -7.978 -7.727 -6.311 148 HA2 GLY 24 1HA GLY 24 -8.512 -10.582 -6.860 149 HA3 GLY 24 2HA GLY 24 -8.162 -9.395 -8.108 150 H VAL 25 H VAL 25 -6.559 -9.958 -4.991 151 HA VAL 25 HA VAL 25 -4.005 -10.121 -6.406 152 HB VAL 25 HB VAL 25 -4.644 -9.793 -3.474 153 HG11 VAL 25 1HG1 VAL 25 -2.257 -9.560 -3.096 154 HG12 VAL 25 2HG1 VAL 25 -2.612 -11.143 -3.792 155 HG13 VAL 25 3HG1 VAL 25 -1.936 -9.864 -4.803 156 HG21 VAL 25 1HG2 VAL 25 -3.729 -7.955 -5.653 157 HG22 VAL 25 2HG2 VAL 25 -5.016 -7.730 -4.468 158 HG23 VAL 25 3HG2 VAL 25 -3.330 -7.613 -3.969 159 H ARG 26 H ARG 26 -2.530 -11.812 -6.086 160 HA ARG 26 HA ARG 26 -3.672 -14.264 -4.918 161 HB2 ARG 26 1HB ARG 26 -1.953 -14.049 -7.396 162 HB3 ARG 26 2HB ARG 26 -2.510 -15.550 -6.669 163 HG2 ARG 26 1HG ARG 26 -4.814 -14.952 -7.138 164 HG3 ARG 26 2HG ARG 26 -4.289 -13.407 -7.812 165 HD2 ARG 26 1HD ARG 26 -3.050 -14.584 -9.556 166 HD3 ARG 26 2HD ARG 26 -3.544 -16.132 -8.871 167 HE ARG 26 HE ARG 26 -5.138 -14.352 -10.490 168 HH11 ARG 26 1HH1 ARG 26 -5.147 -16.992 -8.221 169 HH12 ARG 26 2HH1 ARG 26 -6.707 -17.572 -8.703 170 HH21 ARG 26 1HH2 ARG 26 -7.193 -15.106 -11.134 171 HH22 ARG 26 2HH2 ARG 26 -7.869 -16.499 -10.361 172 H ALA 27 H ALA 27 -2.161 -15.764 -4.027 173 HA ALA 27 HA ALA 27 -0.006 -14.496 -2.646 174 HB1 ALA 27 1HB ALA 27 0.339 -16.633 -1.582 175 HB2 ALA 27 2HB ALA 27 -1.389 -16.285 -1.651 176 HB3 ALA 27 3HB ALA 27 -0.675 -17.433 -2.784 177 H ARG 28 H ARG 28 2.220 -15.031 -2.744 178 HA ARG 28 HA ARG 28 4.191 -15.297 -3.852 179 HB2 ARG 28 1HB ARG 28 2.708 -17.647 -5.043 180 HB3 ARG 28 2HB ARG 28 4.447 -17.401 -5.127 181 HG2 ARG 28 1HG ARG 28 4.339 -17.339 -2.553 182 HG3 ARG 28 2HG ARG 28 2.754 -18.087 -2.761 183 HD2 ARG 28 1HD ARG 28 4.232 -19.885 -2.491 184 HD3 ARG 28 2HD ARG 28 3.942 -19.799 -4.229 185 HE ARG 28 HE ARG 28 6.267 -18.346 -3.335 186 HH11 ARG 28 1HH1 ARG 28 5.022 -21.401 -4.448 187 HH12 ARG 28 2HH1 ARG 28 6.558 -21.971 -5.010 188 HH21 ARG 28 1HH2 ARG 28 8.295 -19.085 -4.071 189 HH22 ARG 28 2HH2 ARG 28 8.420 -20.653 -4.794 190 H VAL 29 H VAL 29 2.419 -13.443 -5.004 191 HA VAL 29 HA VAL 29 3.258 -13.617 -7.817 192 HB VAL 29 HB VAL 29 0.518 -12.869 -6.806 193 HG11 VAL 29 1HG1 VAL 29 1.322 -11.181 -8.419 194 HG12 VAL 29 2HG1 VAL 29 1.599 -12.469 -9.594 195 HG13 VAL 29 3HG1 VAL 29 -0.038 -12.119 -9.034 196 HG21 VAL 29 1HG2 VAL 29 -0.254 -14.586 -8.304 197 HG22 VAL 29 2HG2 VAL 29 1.375 -14.827 -8.935 198 HG23 VAL 29 3HG2 VAL 29 1.002 -15.260 -7.267 199 H LEU 30 H LEU 30 3.831 -11.686 -8.781 200 HA LEU 30 HA LEU 30 4.774 -9.638 -7.070 201 HB2 LEU 30 1HB LEU 30 5.761 -10.272 -9.269 202 HB3 LEU 30 2HB LEU 30 4.380 -9.511 -10.055 203 HG LEU 30 HG LEU 30 5.118 -7.378 -8.816 204 HD11 LEU 30 1HD1 LEU 30 7.859 -8.492 -8.896 205 HD12 LEU 30 2HD1 LEU 30 6.840 -8.949 -7.531 206 HD13 LEU 30 3HD1 LEU 30 7.168 -7.246 -7.857 207 HD21 LEU 30 1HD2 LEU 30 5.809 -8.523 -11.307 208 HD22 LEU 30 2HD2 LEU 30 7.238 -7.695 -10.690 209 HD23 LEU 30 3HD2 LEU 30 5.720 -6.815 -10.874 210 H GLN 31 H GLN 31 3.550 -8.191 -6.072 211 HA GLN 31 HA GLN 31 1.198 -7.123 -7.489 212 HB2 GLN 31 1HB GLN 31 1.578 -7.312 -4.498 213 HB3 GLN 31 2HB GLN 31 0.129 -6.784 -5.344 214 HG2 GLN 31 1HG GLN 31 1.304 -9.550 -5.504 215 HG3 GLN 31 2HG GLN 31 -0.036 -9.076 -4.461 216 HE21 GLN 31 1HE2 GLN 31 -0.462 -11.092 -6.154 217 HE22 GLN 31 2HE2 GLN 31 -1.478 -10.603 -7.464 218 H SER 32 H SER 32 1.130 -4.997 -7.854 219 HA SER 32 HA SER 32 2.737 -3.187 -6.220 220 HB2 SER 32 1HB SER 32 4.155 -3.840 -8.158 221 HB3 SER 32 2HB SER 32 2.911 -3.219 -9.243 222 HG SER 32 HG SER 32 4.831 -1.831 -8.427 223 H PHE 33 H PHE 33 2.219 -0.888 -6.665 224 HA PHE 33 HA PHE 33 -0.254 -0.338 -8.057 225 HB2 PHE 33 1HB PHE 33 -1.284 0.698 -5.987 226 HB3 PHE 33 2HB PHE 33 -1.237 -1.062 -6.013 227 HD1 PHE 33 1HD PHE 33 0.928 -2.102 -4.905 228 HD2 PHE 33 2HD PHE 33 -0.619 1.775 -4.076 229 HE1 PHE 33 1HE PHE 33 2.096 -2.103 -2.739 230 HE2 PHE 33 2HE PHE 33 0.548 1.781 -1.910 231 HZ PHE 33 HZ PHE 33 1.908 -0.158 -1.240 232 H THR 34 H THR 34 -0.893 2.098 -7.346 233 HA THR 34 HA THR 34 1.608 3.651 -7.515 234 HB THR 34 HB THR 34 -1.051 4.315 -8.793 235 HG1 THR 34 1HG THR 34 1.404 3.330 -9.835 236 HG21 THR 34 1HG2 THR 34 1.317 5.900 -8.214 237 HG22 THR 34 2HG2 THR 34 -0.280 6.416 -8.761 238 HG23 THR 34 3HG2 THR 34 0.925 5.881 -9.933 239 H VAL 35 H VAL 35 1.908 5.220 -6.056 240 HA VAL 35 HA VAL 35 -0.350 5.895 -4.288 241 HB VAL 35 HB VAL 35 2.607 6.031 -3.685 242 HG11 VAL 35 1HG1 VAL 35 2.014 7.449 -2.076 243 HG12 VAL 35 2HG1 VAL 35 0.298 7.207 -2.407 244 HG13 VAL 35 3HG1 VAL 35 1.150 6.111 -1.319 245 HG21 VAL 35 1HG2 VAL 35 2.509 3.944 -2.911 246 HG22 VAL 35 2HG2 VAL 35 1.003 4.256 -2.047 247 HG23 VAL 35 3HG2 VAL 35 0.964 3.802 -3.751 248 H ASP 36 H ASP 36 -1.211 7.747 -5.014 249 HA ASP 36 HA ASP 36 0.468 9.847 -6.104 250 HB2 ASP 36 1HB ASP 36 -1.750 9.267 -7.103 251 HB3 ASP 36 2HB ASP 36 -2.519 9.861 -5.634 252 H SER 37 H SER 37 1.607 10.904 -4.582 253 HA SER 37 HA SER 37 0.116 11.995 -2.285 254 HB2 SER 37 1HB SER 37 2.173 11.915 -0.985 255 HB3 SER 37 2HB SER 37 1.825 10.313 -1.635 256 HG SER 37 HG SER 37 3.567 10.414 -2.826 257 H SER 38 H SER 38 0.482 13.144 -4.961 258 HA SER 38 HA SER 38 2.424 15.242 -4.745 259 HB2 SER 38 1HB SER 38 1.715 14.317 -6.930 260 HB3 SER 38 2HB SER 38 0.099 14.971 -6.667 261 HG SER 38 HG SER 38 1.955 16.887 -6.309 262 H LYS 39 H LYS 39 -1.012 14.907 -4.133 263 HA LYS 39 HA LYS 39 -1.427 17.726 -3.710 264 HB2 LYS 39 1HB LYS 39 -3.172 15.320 -3.168 265 HB3 LYS 39 2HB LYS 39 -3.681 16.981 -2.899 266 HG2 LYS 39 1HG LYS 39 -2.969 17.258 -5.415 267 HG3 LYS 39 2HG LYS 39 -3.249 15.516 -5.447 268 HD2 LYS 39 1HD LYS 39 -5.513 15.807 -4.700 269 HD3 LYS 39 2HD LYS 39 -5.250 17.532 -4.432 270 HE2 LYS 39 1HE LYS 39 -6.378 17.434 -6.476 271 HE3 LYS 39 2HE LYS 39 -4.686 17.641 -6.927 272 HZ1 LYS 39 1HZ LYS 39 -5.049 14.929 -6.773 273 HZ2 LYS 39 2HZ LYS 39 -4.945 15.851 -8.188 274 HZ3 LYS 39 3HZ LYS 39 -6.458 15.493 -7.522 275 H ALA 40 H ALA 40 -0.241 15.132 -1.866 276 HA ALA 40 HA ALA 40 -1.061 16.118 0.710 277 HB1 ALA 40 1HB ALA 40 0.465 13.824 -0.314 278 HB2 ALA 40 2HB ALA 40 0.960 14.411 1.274 279 HB3 ALA 40 3HB ALA 40 -0.710 13.915 0.997 280 H GLY 41 H GLY 41 1.840 16.280 -1.296 281 HA2 GLY 41 1HA GLY 41 2.928 18.582 -0.886 282 HA3 GLY 41 2HA GLY 41 3.128 17.964 0.747 283 H LEU 42 H LEU 42 5.321 17.864 0.837 284 HA LEU 42 HA LEU 42 6.652 16.149 -1.155 285 HB2 LEU 42 1HB LEU 42 8.741 17.337 -0.484 286 HB3 LEU 42 2HB LEU 42 7.547 18.339 -1.307 287 HG LEU 42 HG LEU 42 8.828 19.293 0.731 288 HD11 LEU 42 1HD1 LEU 42 5.923 19.498 0.101 289 HD12 LEU 42 2HD1 LEU 42 7.210 20.686 -0.104 290 HD13 LEU 42 3HD1 LEU 42 6.563 20.356 1.503 291 HD21 LEU 42 1HD2 LEU 42 6.693 17.676 2.121 292 HD22 LEU 42 2HD2 LEU 42 7.737 18.882 2.876 293 HD23 LEU 42 3HD2 LEU 42 8.432 17.399 2.221 294 H ALA 43 H ALA 43 5.269 15.577 1.510 295 HA ALA 43 HA ALA 43 7.360 14.701 3.266 296 HB1 ALA 43 1HB ALA 43 5.156 13.366 4.123 297 HB2 ALA 43 2HB ALA 43 5.574 15.016 4.590 298 HB3 ALA 43 3HB ALA 43 4.427 14.732 3.280 299 HA PRO 44 HA PRO 44 8.222 10.731 1.596 300 HB2 PRO 44 1HB PRO 44 8.841 9.362 3.858 301 HB3 PRO 44 2HB PRO 44 9.905 10.585 3.153 302 HG2 PRO 44 1HG PRO 44 7.990 10.833 5.441 303 HG3 PRO 44 2HG PRO 44 9.641 11.461 5.291 304 HD2 PRO 44 1HD PRO 44 7.453 13.010 4.914 305 HD3 PRO 44 2HD PRO 44 8.972 13.273 4.034 306 H LEU 45 H LEU 45 7.590 8.433 1.712 307 HA LEU 45 HA LEU 45 4.925 8.055 2.907 308 HB2 LEU 45 1HB LEU 45 4.583 8.363 0.570 309 HB3 LEU 45 2HB LEU 45 5.898 7.260 0.173 310 HG LEU 45 HG LEU 45 4.324 5.545 1.465 311 HD11 LEU 45 1HD1 LEU 45 2.277 7.281 0.138 312 HD12 LEU 45 2HD1 LEU 45 2.693 7.498 1.838 313 HD13 LEU 45 3HD1 LEU 45 2.045 5.957 1.280 314 HD21 LEU 45 1HD2 LEU 45 5.149 5.258 -0.796 315 HD22 LEU 45 2HD2 LEU 45 3.973 6.426 -1.398 316 HD23 LEU 45 3HD2 LEU 45 3.426 4.889 -0.727 317 H GLU 46 H GLU 46 4.576 6.169 3.956 318 HA GLU 46 HA GLU 46 6.726 4.156 3.860 319 HB2 GLU 46 1HB GLU 46 6.332 5.658 6.008 320 HB3 GLU 46 2HB GLU 46 5.063 4.481 6.316 321 HG2 GLU 46 1HG GLU 46 7.803 3.518 5.664 322 HG3 GLU 46 2HG GLU 46 7.467 4.145 7.277 323 H VAL 47 H VAL 47 6.136 1.989 3.965 324 HA VAL 47 HA VAL 47 3.270 1.368 3.947 325 HB VAL 47 HB VAL 47 5.222 0.425 1.842 326 HG11 VAL 47 1HG1 VAL 47 3.513 -0.921 0.941 327 HG12 VAL 47 2HG1 VAL 47 3.501 -1.252 2.675 328 HG13 VAL 47 3HG1 VAL 47 2.283 -0.188 1.970 329 HG21 VAL 47 1HG2 VAL 47 4.344 2.758 1.605 330 HG22 VAL 47 2HG2 VAL 47 3.925 1.677 0.275 331 HG23 VAL 47 3HG2 VAL 47 2.722 2.072 1.503 332 H ARG 48 H ARG 48 2.794 -0.360 5.146 333 HA ARG 48 HA ARG 48 4.953 -2.259 5.782 334 HB2 ARG 48 1HB ARG 48 4.062 -0.554 7.610 335 HB3 ARG 48 2HB ARG 48 2.783 -1.752 7.763 336 HG2 ARG 48 1HG ARG 48 4.704 -3.452 8.002 337 HG3 ARG 48 2HG ARG 48 5.705 -2.036 8.328 338 HD2 ARG 48 1HD ARG 48 3.132 -2.423 9.800 339 HD3 ARG 48 2HD ARG 48 4.572 -3.311 10.296 340 HE ARG 48 HE ARG 48 4.073 -0.488 10.611 341 HH11 ARG 48 1HH1 ARG 48 6.473 -3.007 10.503 342 HH12 ARG 48 2HH1 ARG 48 7.645 -2.109 11.408 343 HH21 ARG 48 1HH2 ARG 48 5.609 0.705 11.804 344 HH22 ARG 48 2HH2 ARG 48 7.152 0.003 12.148 345 H VAL 49 H VAL 49 4.443 -4.407 5.785 346 HA VAL 49 HA VAL 49 1.672 -5.100 5.051 347 HB VAL 49 HB VAL 49 4.230 -6.415 4.128 348 HG11 VAL 49 1HG1 VAL 49 1.350 -7.183 3.698 349 HG12 VAL 49 2HG1 VAL 49 2.687 -7.811 2.733 350 HG13 VAL 49 3HG1 VAL 49 2.618 -8.139 4.465 351 HG21 VAL 49 1HG2 VAL 49 3.793 -4.358 2.947 352 HG22 VAL 49 2HG2 VAL 49 3.440 -5.721 1.884 353 HG23 VAL 49 3HG2 VAL 49 2.121 -4.840 2.654 354 H LEU 50 H LEU 50 0.682 -6.203 6.597 355 HA LEU 50 HA LEU 50 2.289 -7.981 8.311 356 HB2 LEU 50 1HB LEU 50 0.020 -6.151 8.882 357 HB3 LEU 50 2HB LEU 50 0.125 -7.648 9.806 358 HG LEU 50 HG LEU 50 1.160 -6.022 11.142 359 HD11 LEU 50 1HD1 LEU 50 3.639 -6.998 9.847 360 HD12 LEU 50 2HD1 LEU 50 2.497 -8.207 10.433 361 HD13 LEU 50 3HD1 LEU 50 3.163 -7.010 11.545 362 HD21 LEU 50 1HD2 LEU 50 3.115 -4.672 10.116 363 HD22 LEU 50 2HD2 LEU 50 1.457 -4.159 9.799 364 HD23 LEU 50 3HD2 LEU 50 2.353 -5.058 8.572 365 H GLY 51 H GLY 51 1.867 -10.086 8.193 366 HA2 GLY 51 1HA GLY 51 -0.064 -11.136 6.416 367 HA3 GLY 51 2HA GLY 51 0.867 -12.062 7.583 368 HA PRO 52 HA PRO 52 -3.703 -11.857 8.750 369 HB2 PRO 52 1HB PRO 52 -4.229 -14.505 8.462 370 HB3 PRO 52 2HB PRO 52 -4.413 -13.340 7.145 371 HG2 PRO 52 1HG PRO 52 -2.157 -15.228 7.704 372 HG3 PRO 52 2HG PRO 52 -2.933 -14.838 6.158 373 HD2 PRO 52 1HD PRO 52 -0.569 -13.757 6.914 374 HD3 PRO 52 2HD PRO 52 -1.741 -12.881 5.908 375 H ARG 53 H ARG 53 -1.319 -14.419 9.411 376 HA ARG 53 HA ARG 53 -2.377 -14.984 12.011 377 HB2 ARG 53 1HB ARG 53 0.312 -15.736 10.852 378 HB3 ARG 53 2HB ARG 53 -0.457 -16.458 12.260 379 HG2 ARG 53 1HG ARG 53 -1.155 -18.013 10.819 380 HG3 ARG 53 2HG ARG 53 -2.367 -16.816 10.358 381 HD2 ARG 53 1HD ARG 53 -1.445 -17.467 8.323 382 HD3 ARG 53 2HD ARG 53 -0.594 -15.969 8.699 383 HE ARG 53 HE ARG 53 0.512 -18.676 8.800 384 HH11 ARG 53 1HH1 ARG 53 0.941 -15.240 9.159 385 HH12 ARG 53 2HH1 ARG 53 2.671 -15.321 9.130 386 HH21 ARG 53 1HH2 ARG 53 2.790 -18.796 8.760 387 HH22 ARG 53 2HH2 ARG 53 3.722 -17.344 8.902 388 H GLY 54 H GLY 54 0.294 -13.063 10.739 389 HA2 GLY 54 1HA GLY 54 0.523 -11.015 12.319 390 HA3 GLY 54 2HA GLY 54 1.009 -12.251 13.471 391 H LEU 55 H LEU 55 1.801 -12.321 10.051 392 HA LEU 55 HA LEU 55 4.627 -12.361 10.744 393 HB2 LEU 55 1HB LEU 55 4.144 -14.053 9.243 394 HB3 LEU 55 2HB LEU 55 3.027 -13.051 8.320 395 HG LEU 55 HG LEU 55 5.155 -11.740 7.632 396 HD11 LEU 55 1HD1 LEU 55 6.366 -13.464 9.365 397 HD12 LEU 55 2HD1 LEU 55 7.181 -12.579 8.077 398 HD13 LEU 55 3HD1 LEU 55 6.657 -14.241 7.810 399 HD21 LEU 55 1HD2 LEU 55 5.517 -14.125 6.171 400 HD22 LEU 55 2HD2 LEU 55 4.587 -12.698 5.714 401 HD23 LEU 55 3HD2 LEU 55 3.803 -14.023 6.575 402 H VAL 56 H VAL 56 6.186 -11.048 9.620 403 HA VAL 56 HA VAL 56 5.081 -8.457 8.745 404 HB VAL 56 HB VAL 56 7.686 -8.976 10.186 405 HG11 VAL 56 1HG1 VAL 56 6.483 -6.332 9.382 406 HG12 VAL 56 2HG1 VAL 56 8.051 -6.610 10.143 407 HG13 VAL 56 3HG1 VAL 56 7.765 -7.149 8.488 408 HG21 VAL 56 1HG2 VAL 56 5.425 -9.048 11.443 409 HG22 VAL 56 2HG2 VAL 56 6.737 -8.070 12.102 410 HG23 VAL 56 3HG2 VAL 56 5.425 -7.300 11.208 411 H GLU 57 H GLU 57 5.405 -8.053 6.668 412 HA GLU 57 HA GLU 57 7.788 -9.198 5.365 413 HB2 GLU 57 1HB GLU 57 5.092 -8.588 4.142 414 HB3 GLU 57 2HB GLU 57 6.491 -9.192 3.266 415 HG2 GLU 57 1HG GLU 57 5.404 -10.710 5.597 416 HG3 GLU 57 2HG GLU 57 4.639 -10.834 4.013 417 HA PRO 58 HA PRO 58 9.095 -5.085 4.499 418 HB2 PRO 58 1HB PRO 58 10.707 -5.587 2.373 419 HB3 PRO 58 2HB PRO 58 11.151 -5.999 4.034 420 HG2 PRO 58 1HG PRO 58 10.031 -7.753 1.881 421 HG3 PRO 58 2HG PRO 58 11.336 -8.091 3.034 422 HD2 PRO 58 1HD PRO 58 8.815 -9.017 3.375 423 HD3 PRO 58 2HD PRO 58 9.870 -8.595 4.739 424 H VAL 59 H VAL 59 9.180 -3.489 2.709 425 HA VAL 59 HA VAL 59 7.373 -4.074 0.478 426 HB VAL 59 HB VAL 59 7.045 -1.528 2.046 427 HG11 VAL 59 1HG1 VAL 59 6.080 -2.429 -0.414 428 HG12 VAL 59 2HG1 VAL 59 4.719 -2.566 0.701 429 HG13 VAL 59 3HG1 VAL 59 5.538 -1.018 0.494 430 HG21 VAL 59 1HG2 VAL 59 4.933 -2.705 2.926 431 HG22 VAL 59 2HG2 VAL 59 5.774 -4.201 2.524 432 HG23 VAL 59 3HG2 VAL 59 6.477 -3.080 3.689 433 H ASN 60 H ASN 60 7.752 -2.881 -1.371 434 HA ASN 60 HA ASN 60 10.311 -1.483 -1.430 435 HB2 ASN 60 1HB ASN 60 10.011 -3.196 -3.110 436 HB3 ASN 60 2HB ASN 60 8.499 -2.467 -3.642 437 HD21 ASN 60 1HD2 ASN 60 8.538 -0.664 -4.939 438 HD22 ASN 60 2HD2 ASN 60 9.981 -0.086 -5.696 439 H VAL 61 H VAL 61 10.565 0.639 -1.933 440 HA VAL 61 HA VAL 61 8.162 2.200 -2.590 441 HB VAL 61 HB VAL 61 8.574 2.457 -0.188 442 HG11 VAL 61 1HG1 VAL 61 11.061 2.026 -0.404 443 HG12 VAL 61 2HG1 VAL 61 11.215 3.718 -0.880 444 HG13 VAL 61 3HG1 VAL 61 10.583 3.303 0.714 445 HG21 VAL 61 1HG2 VAL 61 7.710 4.341 -1.572 446 HG22 VAL 61 2HG2 VAL 61 8.545 4.853 -0.106 447 HG23 VAL 61 3HG2 VAL 61 9.357 4.964 -1.667 448 H VAL 62 H VAL 62 8.482 3.234 -4.436 449 HA VAL 62 HA VAL 62 11.116 4.426 -4.962 450 HB VAL 62 HB VAL 62 9.503 2.869 -6.989 451 HG11 VAL 62 1HG1 VAL 62 12.145 4.296 -7.293 452 HG12 VAL 62 2HG1 VAL 62 11.332 3.333 -8.530 453 HG13 VAL 62 3HG1 VAL 62 10.602 4.833 -7.957 454 HG21 VAL 62 1HG2 VAL 62 11.190 1.224 -6.939 455 HG22 VAL 62 2HG2 VAL 62 12.273 2.249 -5.996 456 HG23 VAL 62 3HG2 VAL 62 10.826 1.573 -5.248 457 H ASP 63 H ASP 63 11.074 6.412 -5.894 458 HA ASP 63 HA ASP 63 8.470 7.691 -6.121 459 HB2 ASP 63 1HB ASP 63 10.039 8.959 -4.871 460 HB3 ASP 63 2HB ASP 63 11.296 8.737 -6.084 461 H ASN 64 H ASN 64 7.593 8.493 -7.969 462 HA ASN 64 HA ASN 64 8.645 7.482 -10.458 463 HB2 ASN 64 1HB ASN 64 6.166 9.067 -9.771 464 HB3 ASN 64 2HB ASN 64 6.578 8.588 -11.415 465 HD21 ASN 64 1HD2 ASN 64 6.058 7.281 -8.172 466 HD22 ASN 64 2HD2 ASN 64 5.381 5.780 -8.696 467 H GLY 65 H GLY 65 7.997 10.681 -9.049 468 HA2 GLY 65 1HA GLY 65 9.733 12.390 -9.421 469 HA3 GLY 65 2HA GLY 65 9.821 11.816 -11.080 470 H ASP 66 H ASP 66 6.827 11.540 -11.113 471 HA ASP 66 HA ASP 66 6.295 14.280 -11.918 472 HB2 ASP 66 1HB ASP 66 4.704 11.727 -12.213 473 HB3 ASP 66 2HB ASP 66 4.143 13.299 -12.778 474 H GLY 67 H GLY 67 5.013 11.883 -9.639 475 HA2 GLY 67 1HA GLY 67 4.443 13.520 -7.548 476 HA3 GLY 67 2HA GLY 67 3.042 13.711 -8.593 477 H THR 68 H THR 68 4.871 10.732 -8.239 478 HA THR 68 HA THR 68 2.873 9.587 -6.466 479 HB THR 68 HB THR 68 2.338 7.714 -7.930 480 HG1 THR 68 1HG THR 68 3.506 9.005 -10.137 481 HG21 THR 68 1HG2 THR 68 1.862 10.186 -9.568 482 HG22 THR 68 2HG2 THR 68 1.073 9.955 -8.008 483 HG23 THR 68 3HG2 THR 68 0.797 8.804 -9.315 484 H HIS 69 H HIS 69 3.426 7.096 -6.250 485 HA HIS 69 HA HIS 69 6.298 6.619 -6.403 486 HB2 HIS 69 1HB HIS 69 4.792 6.365 -3.792 487 HB3 HIS 69 2HB HIS 69 6.505 6.046 -4.056 488 HD1 HIS 69 1HD HIS 69 7.893 7.869 -3.162 489 HD2 HIS 69 2HD HIS 69 4.279 9.285 -4.646 490 HE1 HIS 69 1HE HIS 69 7.947 10.357 -2.801 491 HE2 HIS 69 2HE HIS 69 5.714 11.181 -3.627 492 H THR 70 H THR 70 6.693 4.599 -7.023 493 HA THR 70 HA THR 70 4.495 2.714 -7.189 494 HB THR 70 HB THR 70 7.344 2.560 -8.185 495 HG1 THR 70 1HG THR 70 6.496 3.539 -9.847 496 HG21 THR 70 1HG2 THR 70 6.716 0.524 -9.336 497 HG22 THR 70 2HG2 THR 70 5.082 0.621 -8.680 498 HG23 THR 70 3HG2 THR 70 6.449 0.324 -7.606 499 H VAL 71 H VAL 71 4.204 0.965 -5.940 500 HA VAL 71 HA VAL 71 6.354 0.231 -4.062 501 HB VAL 71 HB VAL 71 3.391 0.231 -3.465 502 HG11 VAL 71 1HG1 VAL 71 5.454 -0.100 -1.359 503 HG12 VAL 71 2HG1 VAL 71 3.822 -0.765 -1.464 504 HG13 VAL 71 3HG1 VAL 71 5.130 -1.479 -2.409 505 HG21 VAL 71 1HG2 VAL 71 5.552 2.194 -2.986 506 HG22 VAL 71 2HG2 VAL 71 3.823 2.446 -3.225 507 HG23 VAL 71 3HG2 VAL 71 4.428 1.910 -1.657 508 H THR 72 H THR 72 7.090 -1.696 -4.660 509 HA THR 72 HA THR 72 5.218 -3.672 -5.760 510 HB THR 72 HB THR 72 7.248 -4.898 -6.499 511 HG1 THR 72 1HG THR 72 8.750 -2.587 -5.858 512 HG21 THR 72 1HG2 THR 72 6.995 -2.020 -7.374 513 HG22 THR 72 2HG2 THR 72 6.201 -3.426 -8.082 514 HG23 THR 72 3HG2 THR 72 7.948 -3.234 -8.227 515 H TYR 73 H TYR 73 5.092 -5.765 -4.943 516 HA TYR 73 HA TYR 73 6.680 -6.655 -2.742 517 HB2 TYR 73 1HB TYR 73 5.202 -6.482 -0.960 518 HB3 TYR 73 2HB TYR 73 4.937 -4.956 -1.797 519 HD1 TYR 73 1HD TYR 73 2.881 -4.582 -3.080 520 HD2 TYR 73 2HD TYR 73 3.491 -8.177 -0.888 521 HE1 TYR 73 1HE TYR 73 0.480 -5.088 -3.254 522 HE2 TYR 73 2HE TYR 73 1.092 -8.694 -1.057 523 HH TYR 73 HH TYR 73 -1.185 -6.407 -2.475 524 H THR 74 H THR 74 5.628 -8.715 -1.765 525 HA THR 74 HA THR 74 3.921 -10.141 -3.639 526 HB THR 74 HB THR 74 6.689 -11.152 -2.961 527 HG1 THR 74 1HG THR 74 5.680 -10.621 -5.552 528 HG21 THR 74 1HG2 THR 74 4.562 -12.733 -3.276 529 HG22 THR 74 2HG2 THR 74 6.159 -13.168 -3.885 530 HG23 THR 74 3HG2 THR 74 4.957 -12.475 -4.974 531 HA PRO 75 HA PRO 75 2.611 -11.446 0.442 532 HB2 PRO 75 1HB PRO 75 0.371 -12.718 -0.417 533 HB3 PRO 75 2HB PRO 75 0.471 -10.963 -0.242 534 HG2 PRO 75 1HG PRO 75 0.740 -12.637 -2.708 535 HG3 PRO 75 2HG PRO 75 -0.134 -11.112 -2.482 536 HD2 PRO 75 1HD PRO 75 2.310 -11.232 -3.640 537 HD3 PRO 75 2HD PRO 75 1.779 -9.840 -2.673 538 H SER 76 H SER 76 4.301 -12.938 0.808 539 HA SER 76 HA SER 76 5.015 -15.232 -0.336 540 HB2 SER 76 1HB SER 76 4.661 -14.566 2.564 541 HB3 SER 76 2HB SER 76 5.141 -16.200 2.108 542 HG SER 76 HG SER 76 6.729 -14.198 2.402 543 H GLN 77 H GLN 77 2.140 -14.906 1.717 544 HA GLN 77 HA GLN 77 1.049 -17.310 0.435 545 HB2 GLN 77 1HB GLN 77 0.045 -17.932 2.665 546 HB3 GLN 77 2HB GLN 77 1.787 -18.134 2.540 547 HG2 GLN 77 1HG GLN 77 1.804 -15.705 3.548 548 HG3 GLN 77 2HG GLN 77 0.210 -16.183 4.128 549 HE21 GLN 77 1HE2 GLN 77 0.192 -17.043 6.066 550 HE22 GLN 77 2HE2 GLN 77 1.484 -17.913 6.814 551 H GLU 78 H GLU 78 -1.368 -17.512 0.965 552 HA GLU 78 HA GLU 78 -2.585 -14.957 0.338 553 HB2 GLU 78 1HB GLU 78 -4.596 -16.237 -0.125 554 HB3 GLU 78 2HB GLU 78 -3.216 -16.983 -0.917 555 HG2 GLU 78 1HG GLU 78 -4.337 -18.796 -0.046 556 HG3 GLU 78 2HG GLU 78 -3.111 -18.480 1.181 557 H GLY 79 H GLY 79 -4.919 -14.729 1.376 558 HA2 GLY 79 1HA GLY 79 -6.112 -15.189 3.518 559 HA3 GLY 79 2HA GLY 79 -4.551 -14.985 4.298 560 HA PRO 80 HA PRO 80 -6.982 -10.937 4.123 561 HB2 PRO 80 1HB PRO 80 -7.374 -10.670 6.796 562 HB3 PRO 80 2HB PRO 80 -8.514 -11.510 5.738 563 HG2 PRO 80 1HG PRO 80 -6.398 -12.645 7.526 564 HG3 PRO 80 2HG PRO 80 -8.063 -13.199 7.272 565 HD2 PRO 80 1HD PRO 80 -5.937 -14.381 6.083 566 HD3 PRO 80 2HD PRO 80 -7.534 -14.291 5.312 567 H TYR 81 H TYR 81 -4.795 -10.289 3.477 568 HA TYR 81 HA TYR 81 -2.836 -9.747 5.510 569 HB2 TYR 81 1HB TYR 81 -3.015 -9.433 2.561 570 HB3 TYR 81 2HB TYR 81 -1.897 -8.370 3.408 571 HD1 TYR 81 1HD TYR 81 -2.835 -11.986 3.669 572 HD2 TYR 81 2HD TYR 81 0.278 -9.109 3.313 573 HE1 TYR 81 1HE TYR 81 -1.168 -13.793 3.719 574 HE2 TYR 81 2HE TYR 81 1.955 -10.907 3.360 575 HH TYR 81 HH TYR 81 2.240 -13.141 3.972 576 H MET 82 H MET 82 -1.829 -7.456 5.496 577 HA MET 82 HA MET 82 -3.846 -5.356 5.296 578 HB2 MET 82 1HB MET 82 -3.926 -6.300 7.619 579 HB3 MET 82 2HB MET 82 -2.256 -5.791 7.828 580 HG2 MET 82 1HG MET 82 -2.795 -3.582 7.956 581 HG3 MET 82 2HG MET 82 -4.234 -3.761 6.953 582 HE1 MET 82 1HE MET 82 -2.507 -3.740 10.056 583 HE2 MET 82 2HE MET 82 -3.752 -2.779 10.856 584 HE3 MET 82 3HE MET 82 -3.519 -4.470 11.303 585 H VAL 83 H VAL 83 -2.942 -3.816 4.111 586 HA VAL 83 HA VAL 83 -0.037 -3.404 4.281 587 HB VAL 83 HB VAL 83 -1.996 -2.555 2.143 588 HG11 VAL 83 1HG1 VAL 83 0.500 -2.258 1.080 589 HG12 VAL 83 2HG1 VAL 83 -0.487 -0.949 1.733 590 HG13 VAL 83 3HG1 VAL 83 0.742 -1.715 2.739 591 HG21 VAL 83 1HG2 VAL 83 -1.534 -4.459 1.082 592 HG22 VAL 83 2HG2 VAL 83 0.200 -4.261 1.336 593 HG23 VAL 83 3HG2 VAL 83 -0.794 -5.019 2.582 594 H SER 84 H SER 84 0.167 -2.042 6.019 595 HA SER 84 HA SER 84 -1.513 0.260 6.358 596 HB2 SER 84 1HB SER 84 -0.517 -0.917 8.289 597 HB3 SER 84 2HB SER 84 1.089 -0.452 7.733 598 HG SER 84 HG SER 84 -0.999 1.255 8.609 599 H VAL 85 H VAL 85 -0.951 2.429 6.117 600 HA VAL 85 HA VAL 85 1.561 3.028 4.732 601 HB VAL 85 HB VAL 85 -1.131 3.988 3.750 602 HG11 VAL 85 1HG1 VAL 85 -0.073 5.417 2.375 603 HG12 VAL 85 2HG1 VAL 85 1.249 5.277 3.534 604 HG13 VAL 85 3HG1 VAL 85 1.254 4.298 2.068 605 HG21 VAL 85 1HG2 VAL 85 -1.242 2.164 2.491 606 HG22 VAL 85 2HG2 VAL 85 0.333 2.533 1.790 607 HG23 VAL 85 3HG2 VAL 85 0.227 1.552 3.251 608 H LYS 86 H LYS 86 2.452 4.953 5.273 609 HA LYS 86 HA LYS 86 0.843 6.796 6.911 610 HB2 LYS 86 1HB LYS 86 2.670 5.244 8.061 611 HB3 LYS 86 2HB LYS 86 3.756 6.500 7.481 612 HG2 LYS 86 1HG LYS 86 2.583 8.175 8.731 613 HG3 LYS 86 2HG LYS 86 1.337 7.015 9.196 614 HD2 LYS 86 1HD LYS 86 3.155 5.682 10.320 615 HD3 LYS 86 2HD LYS 86 4.230 7.053 10.036 616 HE2 LYS 86 1HE LYS 86 3.490 7.534 12.151 617 HE3 LYS 86 2HE LYS 86 2.292 8.399 11.189 618 HZ1 LYS 86 1HZ LYS 86 1.552 5.678 11.671 619 HZ2 LYS 86 2HZ LYS 86 0.672 7.097 11.941 620 HZ3 LYS 86 3HZ LYS 86 1.764 6.543 13.110 621 H TYR 87 H TYR 87 1.976 8.977 7.122 622 HA TYR 87 HA TYR 87 3.714 9.705 4.928 623 HB2 TYR 87 1HB TYR 87 1.177 9.720 4.199 624 HB3 TYR 87 2HB TYR 87 1.161 11.256 5.058 625 HD1 TYR 87 1HD TYR 87 2.949 9.420 2.358 626 HD2 TYR 87 2HD TYR 87 1.897 13.202 3.999 627 HE1 TYR 87 1HE TYR 87 3.881 10.533 0.373 628 HE2 TYR 87 2HE TYR 87 2.825 14.326 2.017 629 HH TYR 87 HH TYR 87 4.623 13.730 0.237 630 H ALA 88 H ALA 88 5.194 10.839 5.992 631 HA ALA 88 HA ALA 88 6.187 12.404 7.313 632 HB1 ALA 88 1HB ALA 88 3.631 13.936 7.497 633 HB2 ALA 88 2HB ALA 88 5.285 14.524 7.321 634 HB3 ALA 88 3HB ALA 88 4.458 13.796 5.945 635 H ASP 89 H ASP 89 5.106 10.153 8.602 636 HA ASP 89 HA ASP 89 4.772 9.372 10.714 637 HB2 ASP 89 1HB ASP 89 5.084 12.246 11.601 638 HB3 ASP 89 2HB ASP 89 5.237 10.810 12.609 639 H GLU 90 H GLU 90 2.571 10.213 9.037 640 HA GLU 90 HA GLU 90 0.542 10.460 11.125 641 HB2 GLU 90 1HB GLU 90 0.678 12.220 8.673 642 HB3 GLU 90 2HB GLU 90 -0.726 12.094 9.724 643 HG2 GLU 90 1HG GLU 90 1.045 12.713 11.578 644 HG3 GLU 90 2HG GLU 90 1.891 13.409 10.197 645 H GLU 91 H GLU 91 -0.424 8.536 10.893 646 HA GLU 91 HA GLU 91 -0.603 6.993 8.601 647 HB2 GLU 91 1HB GLU 91 -2.039 7.085 11.191 648 HB3 GLU 91 2HB GLU 91 -2.838 6.212 9.890 649 HG2 GLU 91 1HG GLU 91 -1.232 4.587 9.801 650 HG3 GLU 91 2HG GLU 91 0.028 5.642 10.441 651 H ILE 92 H ILE 92 -1.544 7.404 6.725 652 HA ILE 92 HA ILE 92 -3.271 9.517 6.193 653 HB ILE 92 HB ILE 92 -3.744 8.434 4.050 654 HG12 ILE 92 1HG1 ILE 92 -2.151 6.080 5.072 655 HG13 ILE 92 2HG1 ILE 92 -3.910 6.114 5.034 656 HG21 ILE 92 1HG2 ILE 92 -1.486 9.540 4.698 657 HG22 ILE 92 2HG2 ILE 92 -0.853 7.899 4.586 658 HG23 ILE 92 3HG2 ILE 92 -1.612 8.649 3.182 659 HD11 ILE 92 1HD1 ILE 92 -3.753 5.251 2.999 660 HD12 ILE 92 2HD1 ILE 92 -3.171 6.830 2.470 661 HD13 ILE 92 3HD1 ILE 92 -2.021 5.571 2.919 662 HA PRO 93 HA PRO 93 -7.273 8.234 7.463 663 HB2 PRO 93 1HB PRO 93 -8.819 9.442 5.586 664 HB3 PRO 93 2HB PRO 93 -7.997 10.333 6.873 665 HG2 PRO 93 1HG PRO 93 -7.186 9.954 4.017 666 HG3 PRO 93 2HG PRO 93 -7.130 11.421 5.010 667 HD2 PRO 93 1HD PRO 93 -4.941 9.901 4.534 668 HD3 PRO 93 2HD PRO 93 -5.171 10.794 6.050 669 H ARG 94 H ARG 94 -5.775 6.951 4.848 670 HA ARG 94 HA ARG 94 -8.103 5.294 4.124 671 HB2 ARG 94 1HB ARG 94 -5.684 5.991 2.448 672 HB3 ARG 94 2HB ARG 94 -6.968 4.893 1.961 673 HG2 ARG 94 1HG ARG 94 -7.521 7.745 2.703 674 HG3 ARG 94 2HG ARG 94 -7.051 7.273 1.069 675 HD2 ARG 94 1HD ARG 94 -8.962 5.685 1.041 676 HD3 ARG 94 2HD ARG 94 -9.456 6.314 2.612 677 HE ARG 94 HE ARG 94 -9.172 8.374 0.653 678 HH11 ARG 94 1HH1 ARG 94 -11.304 5.894 1.847 679 HH12 ARG 94 2HH1 ARG 94 -12.744 6.680 1.286 680 HH21 ARG 94 1HH2 ARG 94 -11.059 9.417 -0.090 681 HH22 ARG 94 2HH2 ARG 94 -12.603 8.683 0.183 682 H SER 95 H SER 95 -5.504 5.233 6.012 683 HA SER 95 HA SER 95 -4.904 2.405 5.441 684 HB2 SER 95 1HB SER 95 -2.807 3.280 5.191 685 HB3 SER 95 2HB SER 95 -3.158 4.682 6.202 686 HG SER 95 HG SER 95 -2.679 3.547 7.977 687 HA PRO 96 HA PRO 96 -3.410 0.988 6.641 688 HB2 PRO 96 1HB PRO 96 -4.253 -1.483 7.388 689 HB3 PRO 96 2HB PRO 96 -3.137 -0.514 8.359 690 HG2 PRO 96 1HG PRO 96 -6.091 -0.886 8.676 691 HG3 PRO 96 2HG PRO 96 -4.825 -0.871 9.918 692 HD2 PRO 96 1HD PRO 96 -6.405 1.271 9.423 693 HD3 PRO 96 2HD PRO 96 -4.723 1.431 9.965 694 H PHE 97 H PHE 97 -3.851 -1.053 5.189 695 HA PHE 97 HA PHE 97 -6.428 -0.630 3.823 696 HB2 PHE 97 1HB PHE 97 -3.695 -1.201 2.677 697 HB3 PHE 97 2HB PHE 97 -5.176 -1.377 1.741 698 HD1 PHE 97 2HD PHE 97 -3.026 1.030 3.518 699 HD2 PHE 97 1HD PHE 97 -6.296 0.503 0.846 700 HE1 PHE 97 2HE PHE 97 -2.949 3.425 2.957 701 HE2 PHE 97 1HE PHE 97 -6.224 2.897 0.280 702 HZ PHE 97 HZ PHE 97 -4.550 4.361 1.337 703 H LYS 98 H LYS 98 -7.721 -2.338 3.704 704 HA LYS 98 HA LYS 98 -6.792 -4.912 4.636 705 HB2 LYS 98 1HB LYS 98 -9.143 -5.580 4.484 706 HB3 LYS 98 2HB LYS 98 -8.972 -4.066 5.363 707 HG2 LYS 98 1HG LYS 98 -9.422 -3.015 2.998 708 HG3 LYS 98 2HG LYS 98 -10.164 -4.587 2.690 709 HD2 LYS 98 1HD LYS 98 -11.606 -4.294 4.641 710 HD3 LYS 98 2HD LYS 98 -10.851 -2.732 4.971 711 HE2 LYS 98 1HE LYS 98 -11.593 -2.049 2.642 712 HE3 LYS 98 2HE LYS 98 -12.577 -3.511 2.632 713 HZ1 LYS 98 1HZ LYS 98 -13.989 -2.685 4.198 714 HZ2 LYS 98 2HZ LYS 98 -13.544 -1.236 3.448 715 HZ3 LYS 98 3HZ LYS 98 -12.824 -1.686 4.910 716 H VAL 99 H VAL 99 -5.737 -6.183 3.257 717 HA VAL 99 HA VAL 99 -6.805 -6.457 0.523 718 HB VAL 99 HB VAL 99 -3.914 -6.590 1.389 719 HG11 VAL 99 1HG1 VAL 99 -3.854 -8.116 -0.291 720 HG12 VAL 99 2HG1 VAL 99 -5.308 -7.486 -1.066 721 HG13 VAL 99 3HG1 VAL 99 -3.766 -6.654 -1.273 722 HG21 VAL 99 1HG2 VAL 99 -3.572 -4.586 0.237 723 HG22 VAL 99 2HG2 VAL 99 -5.106 -4.711 -0.626 724 HG23 VAL 99 3HG2 VAL 99 -5.091 -4.327 1.095 725 H LYS 100 H LYS 100 -7.941 -8.313 0.665 726 HA LYS 100 HA LYS 100 -6.926 -10.584 2.145 727 HB2 LYS 100 1HB LYS 100 -9.315 -10.121 2.195 728 HB3 LYS 100 2HB LYS 100 -9.402 -10.246 0.443 729 HG2 LYS 100 1HG LYS 100 -8.515 -12.644 0.801 730 HG3 LYS 100 2HG LYS 100 -9.032 -12.409 2.472 731 HD2 LYS 100 1HD LYS 100 -11.256 -11.598 1.307 732 HD3 LYS 100 2HD LYS 100 -10.657 -12.597 -0.018 733 HE2 LYS 100 1HE LYS 100 -11.904 -14.125 1.164 734 HE3 LYS 100 2HE LYS 100 -10.306 -14.372 1.867 735 HZ1 LYS 100 1HZ LYS 100 -11.155 -12.555 3.524 736 HZ2 LYS 100 2HZ LYS 100 -11.566 -14.182 3.739 737 HZ3 LYS 100 3HZ LYS 100 -12.677 -13.114 3.041 738 H VAL 101 H VAL 101 -5.097 -11.302 1.104 739 HA VAL 101 HA VAL 101 -4.827 -11.626 -1.680 740 HB VAL 101 HB VAL 101 -3.385 -13.107 0.525 741 HG11 VAL 101 1HG1 VAL 101 -3.244 -14.146 -1.739 742 HG12 VAL 101 2HG1 VAL 101 -2.515 -12.650 -2.325 743 HG13 VAL 101 3HG1 VAL 101 -1.693 -13.609 -1.094 744 HG21 VAL 101 1HG2 VAL 101 -2.169 -11.277 0.895 745 HG22 VAL 101 2HG2 VAL 101 -1.910 -11.015 -0.829 746 HG23 VAL 101 3HG2 VAL 101 -3.364 -10.390 -0.051 747 H LEU 102 H LEU 102 -5.008 -13.426 -3.006 748 HA LEU 102 HA LEU 102 -6.675 -15.599 -1.925 749 HB2 LEU 102 1HB LEU 102 -6.510 -14.365 -4.659 750 HB3 LEU 102 2HB LEU 102 -7.260 -15.937 -4.388 751 HG LEU 102 HG LEU 102 -8.162 -13.376 -3.074 752 HD11 LEU 102 1HD1 LEU 102 -8.802 -12.929 -5.210 753 HD12 LEU 102 2HD1 LEU 102 -10.161 -13.939 -4.720 754 HD13 LEU 102 3HD1 LEU 102 -8.849 -14.630 -5.673 755 HD21 LEU 102 1HD2 LEU 102 -10.083 -15.520 -3.309 756 HD22 LEU 102 2HD2 LEU 102 -9.563 -14.623 -1.882 757 HD23 LEU 102 3HD2 LEU 102 -8.650 -16.034 -2.417 758 HA PRO 103 HA PRO 103 -3.589 -18.584 -2.832 759 HB2 PRO 103 1HB PRO 103 -5.098 -20.711 -3.589 760 HB3 PRO 103 2HB PRO 103 -4.996 -20.152 -1.916 761 HG2 PRO 103 1HG PRO 103 -7.120 -19.633 -3.961 762 HG3 PRO 103 2HG PRO 103 -7.295 -20.037 -2.243 763 HD2 PRO 103 1HD PRO 103 -7.527 -17.505 -3.175 764 HD3 PRO 103 2HD PRO 103 -6.883 -17.874 -1.562 765 H THR 104 H THR 104 -2.261 -18.570 -4.525 766 HA THR 104 HA THR 104 -2.583 -17.737 -7.031 767 HB THR 104 HB THR 104 -1.000 -20.205 -6.290 768 HG1 THR 104 1HG THR 104 0.441 -17.966 -6.708 769 HG21 THR 104 1HG2 THR 104 -0.275 -18.404 -8.553 770 HG22 THR 104 2HG2 THR 104 -1.538 -19.609 -8.802 771 HG23 THR 104 3HG2 THR 104 0.080 -20.115 -8.316 772 H TYR 105 H TYR 105 -3.650 -20.868 -5.846 773 HA TYR 105 HA TYR 105 -4.430 -21.824 -8.445 774 HB2 TYR 105 1HB TYR 105 -4.755 -22.842 -5.638 775 HB3 TYR 105 2HB TYR 105 -5.627 -23.594 -6.969 776 HD1 TYR 105 1HD TYR 105 -2.132 -22.332 -6.507 777 HD2 TYR 105 2HD TYR 105 -4.652 -25.574 -7.622 778 HE1 TYR 105 1HE TYR 105 -0.147 -23.686 -7.034 779 HE2 TYR 105 2HE TYR 105 -2.675 -26.938 -8.151 780 HH TYR 105 HH TYR 105 -0.126 -26.279 -8.870 781 H ASP 106 H ASP 106 -6.463 -21.936 -9.314 782 HA ASP 106 HA ASP 106 -8.601 -20.530 -7.854 783 HB2 ASP 106 1HB ASP 106 -7.704 -19.121 -9.668 784 HB3 ASP 106 2HB ASP 106 -8.045 -20.403 -10.826 785 H ALA 107 H ALA 107 -10.741 -21.230 -8.244 786 HA ALA 107 HA ALA 107 -10.901 -24.047 -8.962 787 HB1 ALA 107 1HB ALA 107 -12.207 -23.986 -7.153 788 HB2 ALA 107 2HB ALA 107 -12.401 -22.235 -7.245 789 HB3 ALA 107 3HB ALA 107 -13.433 -23.288 -8.213 790 H SER 108 H SER 108 -10.455 -22.215 -11.103 791 HA SER 108 HA SER 108 -12.662 -21.361 -12.511 792 HB2 SER 108 1HB SER 108 -11.293 -21.540 -14.527 793 HB3 SER 108 2HB SER 108 -10.320 -20.932 -13.188 794 HG SER 108 HG SER 108 -9.505 -23.051 -12.922 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -2.963 34.966 -6.878 2 HA2 GLY 1 1HA GLY 1 -2.330 34.833 -4.314 3 HA3 GLY 1 2HA GLY 1 -1.770 33.582 -5.413 4 H SER 2 H SER 2 -0.414 34.197 -3.072 5 HA SER 2 HA SER 2 2.011 35.525 -4.094 6 HB2 SER 2 1HB SER 2 0.892 35.421 -1.289 7 HB3 SER 2 2HB SER 2 2.535 35.951 -1.652 8 HG SER 2 HG SER 2 0.190 37.293 -1.915 9 H SER 3 H SER 3 4.043 34.747 -2.998 10 HA SER 3 HA SER 3 3.899 31.867 -2.405 11 HB2 SER 3 1HB SER 3 5.792 33.284 -4.282 12 HB3 SER 3 2HB SER 3 6.113 31.671 -3.645 13 HG SER 3 HG SER 3 5.016 31.769 -5.734 14 H GLY 4 H GLY 4 5.546 31.044 -1.041 15 HA2 GLY 4 1HA GLY 4 7.654 31.535 0.165 16 HA3 GLY 4 2HA GLY 4 6.993 33.135 0.466 17 H SER 5 H SER 5 7.861 30.760 2.196 18 HA SER 5 HA SER 5 7.125 29.586 4.031 19 HB2 SER 5 1HB SER 5 7.293 32.121 4.642 20 HB3 SER 5 2HB SER 5 5.534 32.035 4.727 21 HG SER 5 HG SER 5 5.713 30.472 6.317 22 H SER 6 H SER 6 5.553 28.953 1.834 23 HA SER 6 HA SER 6 3.005 28.376 3.158 24 HB2 SER 6 1HB SER 6 2.907 30.384 1.493 25 HB3 SER 6 2HB SER 6 2.994 29.135 0.251 26 HG SER 6 HG SER 6 0.833 29.897 1.196 27 H GLY 7 H GLY 7 2.885 26.236 3.245 28 HA2 GLY 7 1HA GLY 7 2.639 24.524 1.125 29 HA3 GLY 7 2HA GLY 7 4.364 24.548 1.458 30 H VAL 8 H VAL 8 1.302 24.283 3.268 31 HA VAL 8 HA VAL 8 2.478 22.765 5.373 32 HB VAL 8 HB VAL 8 0.456 24.133 5.709 33 HG11 VAL 8 1HG1 VAL 8 -0.886 22.038 4.005 34 HG12 VAL 8 2HG1 VAL 8 -1.720 23.292 4.924 35 HG13 VAL 8 3HG1 VAL 8 -0.654 23.736 3.590 36 HG21 VAL 8 1HG2 VAL 8 -0.198 21.248 6.242 37 HG22 VAL 8 2HG2 VAL 8 1.053 22.118 7.129 38 HG23 VAL 8 3HG2 VAL 8 -0.622 22.662 7.206 39 H VAL 9 H VAL 9 1.956 20.565 5.943 40 HA VAL 9 HA VAL 9 1.807 18.848 3.576 41 HB VAL 9 HB VAL 9 2.699 18.295 6.404 42 HG11 VAL 9 1HG1 VAL 9 1.770 16.255 5.887 43 HG12 VAL 9 2HG1 VAL 9 2.076 16.432 4.158 44 HG13 VAL 9 3HG1 VAL 9 3.404 16.053 5.255 45 HG21 VAL 9 1HG2 VAL 9 4.242 19.536 4.892 46 HG22 VAL 9 2HG2 VAL 9 4.874 17.984 5.442 47 HG23 VAL 9 3HG2 VAL 9 4.227 18.143 3.809 48 H ASP 10 H ASP 10 0.025 17.757 3.095 49 HA ASP 10 HA ASP 10 -1.956 17.291 5.228 50 HB2 ASP 10 1HB ASP 10 -2.404 18.008 2.328 51 HB3 ASP 10 2HB ASP 10 -3.679 17.404 3.382 52 HA PRO 11 HA PRO 11 -0.812 13.106 3.903 53 HB2 PRO 11 1HB PRO 11 -1.688 11.923 6.184 54 HB3 PRO 11 2HB PRO 11 -0.108 12.705 6.052 55 HG2 PRO 11 1HG PRO 11 -2.652 13.760 7.224 56 HG3 PRO 11 2HG PRO 11 -0.997 13.886 7.847 57 HD2 PRO 11 1HD PRO 11 -2.218 15.916 6.534 58 HD3 PRO 11 2HD PRO 11 -0.468 15.636 6.443 59 H SER 12 H SER 12 -3.683 14.702 4.173 60 HA SER 12 HA SER 12 -5.362 12.321 3.877 61 HB2 SER 12 1HB SER 12 -6.138 15.239 4.117 62 HB3 SER 12 2HB SER 12 -7.259 13.878 4.074 63 HG SER 12 HG SER 12 -5.824 14.865 6.154 64 H LYS 13 H LYS 13 -3.619 14.396 1.963 65 HA LYS 13 HA LYS 13 -5.495 14.321 -0.279 66 HB2 LYS 13 1HB LYS 13 -2.770 15.619 -0.171 67 HB3 LYS 13 2HB LYS 13 -4.022 15.878 -1.379 68 HG2 LYS 13 1HG LYS 13 -4.000 16.763 1.489 69 HG3 LYS 13 2HG LYS 13 -4.068 17.759 0.034 70 HD2 LYS 13 1HD LYS 13 -6.225 15.847 0.925 71 HD3 LYS 13 2HD LYS 13 -6.247 17.591 1.192 72 HE2 LYS 13 1HE LYS 13 -5.849 16.585 -1.580 73 HE3 LYS 13 2HE LYS 13 -7.463 16.487 -0.879 74 HZ1 LYS 13 1HZ LYS 13 -5.981 18.795 -1.770 75 HZ2 LYS 13 2HZ LYS 13 -6.730 18.999 -0.268 76 HZ3 LYS 13 3HZ LYS 13 -7.652 18.572 -1.620 77 H VAL 14 H VAL 14 -3.073 12.444 1.008 78 HA VAL 14 HA VAL 14 -1.989 11.522 -1.530 79 HB VAL 14 HB VAL 14 -0.370 11.631 0.197 80 HG11 VAL 14 1HG1 VAL 14 -2.434 10.229 1.858 81 HG12 VAL 14 2HG1 VAL 14 -0.725 10.184 2.298 82 HG13 VAL 14 3HG1 VAL 14 -1.570 11.729 2.191 83 HG21 VAL 14 1HG2 VAL 14 -0.326 9.609 -1.262 84 HG22 VAL 14 2HG2 VAL 14 0.456 9.383 0.302 85 HG23 VAL 14 3HG2 VAL 14 -1.156 8.725 0.019 86 H LYS 15 H LYS 15 -2.825 9.902 -2.657 87 HA LYS 15 HA LYS 15 -4.477 7.906 -1.258 88 HB2 LYS 15 1HB LYS 15 -5.026 9.304 -3.871 89 HB3 LYS 15 2HB LYS 15 -5.814 7.795 -3.430 90 HG2 LYS 15 1HG LYS 15 -6.465 9.078 -1.265 91 HG3 LYS 15 2HG LYS 15 -6.122 10.512 -2.236 92 HD2 LYS 15 1HD LYS 15 -7.979 8.314 -3.130 93 HD3 LYS 15 2HD LYS 15 -8.522 9.737 -2.238 94 HE2 LYS 15 1HE LYS 15 -8.880 10.333 -4.455 95 HE3 LYS 15 2HE LYS 15 -7.325 11.078 -4.086 96 HZ1 LYS 15 1HZ LYS 15 -7.742 9.585 -6.231 97 HZ2 LYS 15 2HZ LYS 15 -7.242 8.375 -5.160 98 HZ3 LYS 15 3HZ LYS 15 -6.233 9.696 -5.473 99 H ILE 16 H ILE 16 -4.789 5.899 -2.654 100 HA ILE 16 HA ILE 16 -2.489 5.349 -4.376 101 HB ILE 16 HB ILE 16 -2.008 3.235 -3.252 102 HG12 ILE 16 1HG1 ILE 16 -4.036 4.167 -1.207 103 HG13 ILE 16 2HG1 ILE 16 -4.230 2.808 -2.307 104 HG21 ILE 16 1HG2 ILE 16 -0.487 4.648 -2.388 105 HG22 ILE 16 2HG2 ILE 16 -1.700 5.851 -1.951 106 HG23 ILE 16 3HG2 ILE 16 -1.425 4.456 -0.907 107 HD11 ILE 16 1HD1 ILE 16 -2.086 1.907 -1.179 108 HD12 ILE 16 2HD1 ILE 16 -2.488 3.055 0.099 109 HD13 ILE 16 3HD1 ILE 16 -3.631 1.784 -0.336 110 H ALA 17 H ALA 17 -2.979 4.107 -6.087 111 HA ALA 17 HA ALA 17 -5.389 2.446 -6.013 112 HB1 ALA 17 1HB ALA 17 -6.059 3.310 -8.254 113 HB2 ALA 17 2HB ALA 17 -6.203 4.490 -6.949 114 HB3 ALA 17 3HB ALA 17 -4.845 4.577 -8.071 115 H GLY 18 H GLY 18 -5.066 0.507 -6.910 116 HA2 GLY 18 1HA GLY 18 -3.654 -0.045 -9.244 117 HA3 GLY 18 2HA GLY 18 -2.521 -0.233 -7.913 118 HA PRO 19 HA PRO 19 -5.041 -4.158 -8.632 119 HB2 PRO 19 1HB PRO 19 -2.966 -5.740 -9.381 120 HB3 PRO 19 2HB PRO 19 -3.921 -4.798 -10.532 121 HG2 PRO 19 1HG PRO 19 -1.252 -4.175 -9.328 122 HG3 PRO 19 2HG PRO 19 -1.796 -3.981 -11.005 123 HD2 PRO 19 1HD PRO 19 -1.673 -1.909 -9.265 124 HD3 PRO 19 2HD PRO 19 -2.890 -2.003 -10.555 125 H GLY 20 H GLY 20 -1.858 -3.564 -7.203 126 HA2 GLY 20 1HA GLY 20 -1.700 -5.802 -5.538 127 HA3 GLY 20 2HA GLY 20 -0.928 -4.255 -5.223 128 H LEU 21 H LEU 21 -3.454 -2.794 -5.127 129 HA LEU 21 HA LEU 21 -4.166 -3.484 -2.388 130 HB2 LEU 21 1HB LEU 21 -5.139 -1.123 -3.975 131 HB3 LEU 21 2HB LEU 21 -5.113 -1.318 -2.223 132 HG LEU 21 HG LEU 21 -2.533 -1.296 -3.726 133 HD11 LEU 21 1HD1 LEU 21 -3.208 0.671 -4.640 134 HD12 LEU 21 2HD1 LEU 21 -2.676 1.271 -3.070 135 HD13 LEU 21 3HD1 LEU 21 -4.390 0.988 -3.372 136 HD21 LEU 21 1HD2 LEU 21 -1.616 -0.664 -1.696 137 HD22 LEU 21 2HD2 LEU 21 -2.902 -1.766 -1.206 138 HD23 LEU 21 3HD2 LEU 21 -3.142 -0.022 -1.088 139 H GLY 22 H GLY 22 -5.353 -3.944 -5.527 140 HA2 GLY 22 1HA GLY 22 -8.140 -3.828 -5.086 141 HA3 GLY 22 2HA GLY 22 -7.340 -4.742 -6.357 142 H SER 23 H SER 23 -9.353 -6.073 -5.687 143 HA SER 23 HA SER 23 -8.813 -7.770 -3.370 144 HB2 SER 23 1HB SER 23 -11.111 -6.815 -3.786 145 HB3 SER 23 2HB SER 23 -11.213 -7.853 -5.208 146 HG SER 23 HG SER 23 -10.635 -8.873 -2.635 147 H GLY 24 H GLY 24 -8.376 -7.733 -6.736 148 HA2 GLY 24 1HA GLY 24 -8.451 -10.621 -7.053 149 HA3 GLY 24 2HA GLY 24 -8.066 -9.443 -8.298 150 H VAL 25 H VAL 25 -6.628 -10.023 -5.097 151 HA VAL 25 HA VAL 25 -3.993 -10.090 -6.369 152 HB VAL 25 HB VAL 25 -4.689 -9.937 -3.433 153 HG11 VAL 25 1HG1 VAL 25 -2.409 -10.885 -4.270 154 HG12 VAL 25 2HG1 VAL 25 -2.045 -9.190 -4.604 155 HG13 VAL 25 3HG1 VAL 25 -2.445 -9.701 -2.964 156 HG21 VAL 25 1HG2 VAL 25 -3.595 -7.550 -4.006 157 HG22 VAL 25 2HG2 VAL 25 -4.398 -7.889 -5.540 158 HG23 VAL 25 3HG2 VAL 25 -5.332 -7.856 -4.044 159 H ARG 26 H ARG 26 -2.589 -11.800 -6.194 160 HA ARG 26 HA ARG 26 -3.693 -14.268 -5.019 161 HB2 ARG 26 1HB ARG 26 -1.933 -13.979 -7.461 162 HB3 ARG 26 2HB ARG 26 -2.445 -15.507 -6.757 163 HG2 ARG 26 1HG ARG 26 -4.790 -14.896 -7.208 164 HG3 ARG 26 2HG ARG 26 -4.225 -13.417 -7.990 165 HD2 ARG 26 1HD ARG 26 -2.783 -15.054 -9.415 166 HD3 ARG 26 2HD ARG 26 -3.954 -16.258 -8.878 167 HE ARG 26 HE ARG 26 -5.557 -14.335 -9.808 168 HH11 ARG 26 1HH1 ARG 26 -2.709 -15.807 -11.166 169 HH12 ARG 26 2HH1 ARG 26 -3.219 -15.589 -12.806 170 HH21 ARG 26 1HH2 ARG 26 -6.240 -14.042 -11.964 171 HH22 ARG 26 2HH2 ARG 26 -5.228 -14.584 -13.260 172 H ALA 27 H ALA 27 -2.226 -15.713 -4.034 173 HA ALA 27 HA ALA 27 -0.104 -14.441 -2.620 174 HB1 ALA 27 1HB ALA 27 -1.475 -16.222 -1.633 175 HB2 ALA 27 2HB ALA 27 -0.785 -17.374 -2.776 176 HB3 ALA 27 3HB ALA 27 0.246 -16.601 -1.573 177 H ARG 28 H ARG 28 2.129 -14.977 -2.651 178 HA ARG 28 HA ARG 28 4.128 -15.204 -3.718 179 HB2 ARG 28 1HB ARG 28 2.739 -17.590 -4.954 180 HB3 ARG 28 2HB ARG 28 4.477 -17.322 -4.908 181 HG2 ARG 28 1HG ARG 28 4.063 -17.193 -2.318 182 HG3 ARG 28 2HG ARG 28 2.620 -18.122 -2.729 183 HD2 ARG 28 1HD ARG 28 4.326 -19.690 -2.214 184 HD3 ARG 28 2HD ARG 28 4.122 -19.712 -3.965 185 HE ARG 28 HE ARG 28 6.128 -17.909 -3.520 186 HH11 ARG 28 1HH1 ARG 28 5.581 -21.251 -2.713 187 HH12 ARG 28 2HH1 ARG 28 7.263 -21.667 -2.734 188 HH21 ARG 28 1HH2 ARG 28 8.345 -18.445 -3.552 189 HH22 ARG 28 2HH2 ARG 28 8.834 -20.070 -3.211 190 H VAL 29 H VAL 29 2.428 -13.364 -4.927 191 HA VAL 29 HA VAL 29 3.295 -13.590 -7.725 192 HB VAL 29 HB VAL 29 0.536 -12.911 -6.744 193 HG11 VAL 29 1HG1 VAL 29 1.870 -12.046 -9.291 194 HG12 VAL 29 2HG1 VAL 29 0.119 -12.239 -9.175 195 HG13 VAL 29 3HG1 VAL 29 0.950 -11.076 -8.140 196 HG21 VAL 29 1HG2 VAL 29 1.247 -15.253 -7.448 197 HG22 VAL 29 2HG2 VAL 29 -0.189 -14.590 -8.226 198 HG23 VAL 29 3HG2 VAL 29 1.349 -14.610 -9.087 199 H LEU 30 H LEU 30 3.748 -11.626 -8.764 200 HA LEU 30 HA LEU 30 4.751 -9.578 -7.071 201 HB2 LEU 30 1HB LEU 30 5.713 -10.211 -9.273 202 HB3 LEU 30 2HB LEU 30 4.305 -9.490 -10.051 203 HG LEU 30 HG LEU 30 5.019 -7.322 -8.861 204 HD11 LEU 30 1HD1 LEU 30 6.800 -8.855 -7.589 205 HD12 LEU 30 2HD1 LEU 30 7.061 -7.140 -7.909 206 HD13 LEU 30 3HD1 LEU 30 7.785 -8.355 -8.964 207 HD21 LEU 30 1HD2 LEU 30 5.725 -8.512 -11.337 208 HD22 LEU 30 2HD2 LEU 30 7.119 -7.604 -10.751 209 HD23 LEU 30 3HD2 LEU 30 5.560 -6.801 -10.947 210 H GLN 31 H GLN 31 3.526 -8.149 -6.047 211 HA GLN 31 HA GLN 31 1.172 -7.061 -7.448 212 HB2 GLN 31 1HB GLN 31 1.509 -7.260 -4.455 213 HB3 GLN 31 2HB GLN 31 0.055 -6.813 -5.339 214 HG2 GLN 31 1HG GLN 31 1.368 -9.519 -5.429 215 HG3 GLN 31 2HG GLN 31 -0.028 -9.097 -4.439 216 HE21 GLN 31 1HE2 GLN 31 -0.641 -11.078 -5.863 217 HE22 GLN 31 2HE2 GLN 31 -1.501 -10.689 -7.310 218 H SER 32 H SER 32 1.189 -4.949 -7.843 219 HA SER 32 HA SER 32 2.734 -3.163 -6.119 220 HB2 SER 32 1HB SER 32 4.238 -3.768 -7.980 221 HB3 SER 32 2HB SER 32 3.024 -3.217 -9.134 222 HG SER 32 HG SER 32 4.731 -1.754 -7.510 223 H PHE 33 H PHE 33 2.228 -0.865 -6.515 224 HA PHE 33 HA PHE 33 -0.209 -0.300 -7.981 225 HB2 PHE 33 1HB PHE 33 -1.267 0.754 -5.945 226 HB3 PHE 33 2HB PHE 33 -1.202 -1.005 -5.927 227 HD1 PHE 33 1HD PHE 33 0.828 -2.057 -4.700 228 HD2 PHE 33 2HD PHE 33 -0.503 1.944 -4.124 229 HE1 PHE 33 1HE PHE 33 1.974 -1.992 -2.522 230 HE2 PHE 33 2HE PHE 33 0.640 2.016 -1.947 231 HZ PHE 33 HZ PHE 33 1.882 0.046 -1.143 232 H THR 34 H THR 34 -0.835 2.154 -7.246 233 HA THR 34 HA THR 34 1.679 3.679 -7.464 234 HB THR 34 HB THR 34 -1.006 4.384 -8.664 235 HG1 THR 34 1HG THR 34 0.649 4.167 -10.587 236 HG21 THR 34 1HG2 THR 34 -0.029 6.446 -8.274 237 HG22 THR 34 2HG2 THR 34 0.573 6.067 -9.888 238 HG23 THR 34 3HG2 THR 34 1.608 5.825 -8.481 239 H VAL 35 H VAL 35 2.007 5.334 -6.088 240 HA VAL 35 HA VAL 35 -0.174 5.977 -4.210 241 HB VAL 35 HB VAL 35 2.795 6.217 -3.706 242 HG11 VAL 35 1HG1 VAL 35 0.385 7.026 -2.239 243 HG12 VAL 35 2HG1 VAL 35 1.579 6.151 -1.279 244 HG13 VAL 35 3HG1 VAL 35 2.038 7.627 -2.127 245 HG21 VAL 35 1HG2 VAL 35 1.511 4.288 -2.043 246 HG22 VAL 35 2HG2 VAL 35 1.175 3.902 -3.730 247 HG23 VAL 35 3HG2 VAL 35 2.843 4.061 -3.176 248 H ASP 36 H ASP 36 -1.079 7.822 -4.883 249 HA ASP 36 HA ASP 36 0.564 9.944 -6.014 250 HB2 ASP 36 1HB ASP 36 -1.635 9.294 -7.032 251 HB3 ASP 36 2HB ASP 36 -2.427 9.910 -5.584 252 H SER 37 H SER 37 1.572 11.229 -4.618 253 HA SER 37 HA SER 37 0.048 12.225 -2.302 254 HB2 SER 37 1HB SER 37 2.083 12.221 -0.967 255 HB3 SER 37 2HB SER 37 1.799 10.601 -1.606 256 HG SER 37 HG SER 37 3.667 12.532 -2.498 257 H SER 38 H SER 38 0.460 13.331 -5.006 258 HA SER 38 HA SER 38 2.343 15.456 -4.862 259 HB2 SER 38 1HB SER 38 0.151 14.659 -6.710 260 HB3 SER 38 2HB SER 38 0.683 16.339 -6.766 261 HG SER 38 HG SER 38 2.804 15.575 -7.130 262 H LYS 39 H LYS 39 -1.074 15.151 -4.098 263 HA LYS 39 HA LYS 39 -1.363 17.979 -3.550 264 HB2 LYS 39 1HB LYS 39 -3.236 15.635 -3.198 265 HB3 LYS 39 2HB LYS 39 -3.663 17.294 -2.795 266 HG2 LYS 39 1HG LYS 39 -2.957 17.771 -5.261 267 HG3 LYS 39 2HG LYS 39 -3.236 16.040 -5.465 268 HD2 LYS 39 1HD LYS 39 -5.283 17.800 -4.158 269 HD3 LYS 39 2HD LYS 39 -5.189 17.659 -5.915 270 HE2 LYS 39 1HE LYS 39 -5.583 15.302 -5.812 271 HE3 LYS 39 2HE LYS 39 -5.437 15.300 -4.055 272 HZ1 LYS 39 1HZ LYS 39 -7.511 16.133 -3.789 273 HZ2 LYS 39 2HZ LYS 39 -7.764 15.364 -5.274 274 HZ3 LYS 39 3HZ LYS 39 -7.478 17.029 -5.223 275 H ALA 40 H ALA 40 -0.099 15.371 -1.912 276 HA ALA 40 HA ALA 40 -1.002 16.083 0.736 277 HB1 ALA 40 1HB ALA 40 -0.579 13.780 0.386 278 HB2 ALA 40 2HB ALA 40 1.026 14.102 -0.271 279 HB3 ALA 40 3HB ALA 40 0.704 14.368 1.443 280 H GLY 41 H GLY 41 1.830 16.626 -1.275 281 HA2 GLY 41 1HA GLY 41 2.884 18.857 -0.735 282 HA3 GLY 41 2HA GLY 41 3.001 18.237 0.906 283 H LEU 42 H LEU 42 5.172 18.156 1.167 284 HA LEU 42 HA LEU 42 6.689 16.526 -0.762 285 HB2 LEU 42 1HB LEU 42 8.633 17.835 0.526 286 HB3 LEU 42 2HB LEU 42 7.858 18.439 -0.936 287 HG LEU 42 HG LEU 42 8.195 20.133 0.883 288 HD11 LEU 42 1HD1 LEU 42 6.337 21.282 0.247 289 HD12 LEU 42 2HD1 LEU 42 5.266 19.899 0.467 290 HD13 LEU 42 3HD1 LEU 42 6.296 19.997 -0.960 291 HD21 LEU 42 1HD2 LEU 42 5.869 19.472 2.402 292 HD22 LEU 42 2HD2 LEU 42 7.524 19.726 2.957 293 HD23 LEU 42 3HD2 LEU 42 6.999 18.118 2.454 294 H ALA 43 H ALA 43 5.136 15.844 1.769 295 HA ALA 43 HA ALA 43 7.129 14.988 3.652 296 HB1 ALA 43 1HB ALA 43 5.271 15.219 4.881 297 HB2 ALA 43 2HB ALA 43 4.208 14.999 3.490 298 HB3 ALA 43 3HB ALA 43 4.880 13.593 4.318 299 HA PRO 44 HA PRO 44 8.173 11.074 1.947 300 HB2 PRO 44 1HB PRO 44 8.729 9.688 4.215 301 HB3 PRO 44 2HB PRO 44 9.790 10.949 3.575 302 HG2 PRO 44 1HG PRO 44 7.772 11.111 5.778 303 HG3 PRO 44 2HG PRO 44 9.411 11.785 5.711 304 HD2 PRO 44 1HD PRO 44 7.202 13.283 5.260 305 HD3 PRO 44 2HD PRO 44 8.750 13.598 4.452 306 H LEU 45 H LEU 45 7.619 8.738 2.056 307 HA LEU 45 HA LEU 45 4.906 8.285 3.104 308 HB2 LEU 45 1HB LEU 45 4.723 8.624 0.731 309 HB3 LEU 45 2HB LEU 45 6.022 7.473 0.427 310 HG LEU 45 HG LEU 45 4.353 5.809 1.622 311 HD11 LEU 45 1HD1 LEU 45 2.468 7.804 0.384 312 HD12 LEU 45 2HD1 LEU 45 2.724 7.617 2.118 313 HD13 LEU 45 3HD1 LEU 45 2.048 6.287 1.178 314 HD21 LEU 45 1HD2 LEU 45 3.891 4.953 -0.457 315 HD22 LEU 45 2HD2 LEU 45 5.265 5.995 -0.826 316 HD23 LEU 45 3HD2 LEU 45 3.623 6.542 -1.173 317 H GLU 46 H GLU 46 4.690 6.520 4.322 318 HA GLU 46 HA GLU 46 6.896 4.571 4.322 319 HB2 GLU 46 1HB GLU 46 5.166 5.703 6.454 320 HB3 GLU 46 2HB GLU 46 5.620 4.012 6.616 321 HG2 GLU 46 1HG GLU 46 7.762 5.970 6.012 322 HG3 GLU 46 2HG GLU 46 7.076 5.962 7.636 323 H VAL 47 H VAL 47 6.383 2.327 4.600 324 HA VAL 47 HA VAL 47 3.622 1.550 4.017 325 HB VAL 47 HB VAL 47 5.985 0.588 2.397 326 HG11 VAL 47 1HG1 VAL 47 3.942 -0.963 3.008 327 HG12 VAL 47 2HG1 VAL 47 3.162 -0.054 1.713 328 HG13 VAL 47 3HG1 VAL 47 4.640 -0.961 1.388 329 HG21 VAL 47 1HG2 VAL 47 5.220 1.852 0.612 330 HG22 VAL 47 2HG2 VAL 47 3.603 2.030 1.296 331 HG23 VAL 47 3HG2 VAL 47 4.955 2.932 1.980 332 H ARG 48 H ARG 48 3.000 -0.296 5.004 333 HA ARG 48 HA ARG 48 5.031 -2.108 6.069 334 HB2 ARG 48 1HB ARG 48 4.704 -0.698 7.948 335 HB3 ARG 48 2HB ARG 48 2.963 -0.654 7.707 336 HG2 ARG 48 1HG ARG 48 2.636 -2.699 8.670 337 HG3 ARG 48 2HG ARG 48 4.248 -3.278 8.245 338 HD2 ARG 48 1HD ARG 48 5.255 -2.112 10.009 339 HD3 ARG 48 2HD ARG 48 3.851 -1.069 10.234 340 HE ARG 48 HE ARG 48 2.911 -3.563 10.774 341 HH11 ARG 48 1HH1 ARG 48 5.566 -1.650 11.960 342 HH12 ARG 48 2HH1 ARG 48 5.542 -2.359 13.541 343 HH21 ARG 48 1HH2 ARG 48 2.868 -4.505 12.851 344 HH22 ARG 48 2HH2 ARG 48 4.008 -3.983 14.047 345 H VAL 49 H VAL 49 4.376 -4.221 6.235 346 HA VAL 49 HA VAL 49 1.602 -4.806 5.428 347 HB VAL 49 HB VAL 49 4.064 -6.361 4.622 348 HG11 VAL 49 1HG1 VAL 49 2.039 -7.198 3.010 349 HG12 VAL 49 2HG1 VAL 49 2.572 -8.033 4.472 350 HG13 VAL 49 3HG1 VAL 49 1.191 -6.937 4.534 351 HG21 VAL 49 1HG2 VAL 49 4.203 -4.582 3.202 352 HG22 VAL 49 2HG2 VAL 49 3.063 -5.577 2.296 353 HG23 VAL 49 3HG2 VAL 49 2.474 -4.240 3.282 354 H LEU 50 H LEU 50 0.512 -6.183 6.688 355 HA LEU 50 HA LEU 50 1.973 -7.476 8.881 356 HB2 LEU 50 1HB LEU 50 -0.875 -6.613 8.528 357 HB3 LEU 50 2HB LEU 50 -0.424 -7.775 9.774 358 HG LEU 50 HG LEU 50 -0.636 -5.497 10.657 359 HD11 LEU 50 1HD1 LEU 50 2.251 -5.817 10.903 360 HD12 LEU 50 2HD1 LEU 50 1.353 -7.312 11.160 361 HD13 LEU 50 3HD1 LEU 50 0.989 -5.888 12.134 362 HD21 LEU 50 1HD2 LEU 50 1.596 -4.887 8.724 363 HD22 LEU 50 2HD2 LEU 50 1.089 -3.823 10.036 364 HD23 LEU 50 3HD2 LEU 50 -0.030 -4.202 8.726 365 H GLY 51 H GLY 51 0.610 -9.527 9.670 366 HA2 GLY 51 1HA GLY 51 0.104 -11.196 7.284 367 HA3 GLY 51 2HA GLY 51 1.088 -11.774 8.622 368 HA PRO 52 HA PRO 52 -3.622 -12.506 9.190 369 HB2 PRO 52 1HB PRO 52 -3.840 -15.021 8.191 370 HB3 PRO 52 2HB PRO 52 -4.109 -13.571 7.214 371 HG2 PRO 52 1HG PRO 52 -1.677 -15.308 7.400 372 HG3 PRO 52 2HG PRO 52 -2.440 -14.601 5.964 373 HD2 PRO 52 1HD PRO 52 -0.237 -13.532 7.120 374 HD3 PRO 52 2HD PRO 52 -1.465 -12.541 6.306 375 H ARG 53 H ARG 53 -0.728 -14.438 9.572 376 HA ARG 53 HA ARG 53 -1.831 -15.514 12.085 377 HB2 ARG 53 1HB ARG 53 0.147 -17.266 11.541 378 HB3 ARG 53 2HB ARG 53 -1.522 -17.499 11.037 379 HG2 ARG 53 1HG ARG 53 -0.138 -17.966 9.169 380 HG3 ARG 53 2HG ARG 53 -0.930 -16.418 8.864 381 HD2 ARG 53 1HD ARG 53 1.484 -16.449 8.269 382 HD3 ARG 53 2HD ARG 53 1.057 -15.215 9.454 383 HE ARG 53 HE ARG 53 2.346 -16.302 11.016 384 HH11 ARG 53 1HH1 ARG 53 1.907 -18.343 8.230 385 HH12 ARG 53 2HH1 ARG 53 3.078 -19.514 8.740 386 HH21 ARG 53 1HH2 ARG 53 3.891 -17.836 11.698 387 HH22 ARG 53 2HH2 ARG 53 4.206 -19.224 10.713 388 H GLY 54 H GLY 54 -0.024 -13.129 11.158 389 HA2 GLY 54 1HA GLY 54 1.351 -11.911 12.673 390 HA3 GLY 54 2HA GLY 54 1.841 -13.431 13.405 391 H LEU 55 H LEU 55 1.779 -13.020 9.945 392 HA LEU 55 HA LEU 55 4.672 -13.410 9.890 393 HB2 LEU 55 1HB LEU 55 3.455 -14.929 8.525 394 HB3 LEU 55 2HB LEU 55 2.528 -13.622 7.790 395 HG LEU 55 HG LEU 55 4.795 -12.833 6.850 396 HD11 LEU 55 1HD1 LEU 55 5.957 -14.581 8.392 397 HD12 LEU 55 2HD1 LEU 55 6.571 -14.295 6.764 398 HD13 LEU 55 3HD1 LEU 55 5.566 -15.707 7.090 399 HD21 LEU 55 1HD2 LEU 55 3.448 -13.531 5.173 400 HD22 LEU 55 2HD2 LEU 55 3.043 -15.047 5.978 401 HD23 LEU 55 3HD2 LEU 55 4.582 -14.881 5.134 402 H VAL 56 H VAL 56 6.093 -12.046 8.824 403 HA VAL 56 HA VAL 56 5.017 -9.383 8.159 404 HB VAL 56 HB VAL 56 7.770 -10.058 9.207 405 HG11 VAL 56 1HG1 VAL 56 8.106 -7.654 9.336 406 HG12 VAL 56 2HG1 VAL 56 7.746 -8.137 7.677 407 HG13 VAL 56 3HG1 VAL 56 6.499 -7.376 8.666 408 HG21 VAL 56 1HG2 VAL 56 6.044 -8.297 10.781 409 HG22 VAL 56 2HG2 VAL 56 5.447 -9.951 10.645 410 HG23 VAL 56 3HG2 VAL 56 7.058 -9.646 11.293 411 H GLU 57 H GLU 57 5.640 -8.403 6.281 412 HA GLU 57 HA GLU 57 7.520 -9.858 4.550 413 HB2 GLU 57 1HB GLU 57 4.801 -8.782 3.802 414 HB3 GLU 57 2HB GLU 57 6.018 -9.228 2.616 415 HG2 GLU 57 1HG GLU 57 5.126 -11.179 4.697 416 HG3 GLU 57 2HG GLU 57 4.186 -10.927 3.227 417 HA PRO 58 HA PRO 58 9.425 -5.938 3.968 418 HB2 PRO 58 1HB PRO 58 10.653 -6.387 1.588 419 HB3 PRO 58 2HB PRO 58 11.212 -7.098 3.106 420 HG2 PRO 58 1HG PRO 58 9.543 -8.319 0.942 421 HG3 PRO 58 2HG PRO 58 10.894 -9.027 1.847 422 HD2 PRO 58 1HD PRO 58 8.307 -9.569 2.432 423 HD3 PRO 58 2HD PRO 58 9.576 -9.524 3.671 424 H VAL 59 H VAL 59 9.662 -4.193 2.268 425 HA VAL 59 HA VAL 59 7.490 -4.133 0.315 426 HB VAL 59 HB VAL 59 6.948 -1.759 1.093 427 HG11 VAL 59 1HG1 VAL 59 5.471 -3.736 1.368 428 HG12 VAL 59 2HG1 VAL 59 6.190 -4.007 2.957 429 HG13 VAL 59 3HG1 VAL 59 5.276 -2.531 2.640 430 HG21 VAL 59 1HG2 VAL 59 7.414 -2.153 3.842 431 HG22 VAL 59 2HG2 VAL 59 8.943 -2.464 3.021 432 HG23 VAL 59 3HG2 VAL 59 8.115 -0.924 2.789 433 H ASN 60 H ASN 60 7.683 -2.342 -1.212 434 HA ASN 60 HA ASN 60 10.446 -1.339 -1.424 435 HB2 ASN 60 1HB ASN 60 10.032 -3.115 -3.072 436 HB3 ASN 60 2HB ASN 60 8.639 -2.226 -3.684 437 HD21 ASN 60 1HD2 ASN 60 9.133 -1.469 -5.608 438 HD22 ASN 60 2HD2 ASN 60 10.597 -0.658 -6.036 439 H VAL 61 H VAL 61 10.731 0.766 -2.037 440 HA VAL 61 HA VAL 61 8.328 2.345 -2.648 441 HB VAL 61 HB VAL 61 8.693 2.771 -0.329 442 HG11 VAL 61 1HG1 VAL 61 11.289 3.925 -0.251 443 HG12 VAL 61 2HG1 VAL 61 10.684 2.511 0.615 444 HG13 VAL 61 3HG1 VAL 61 11.417 2.324 -0.978 445 HG21 VAL 61 1HG2 VAL 61 8.123 4.746 -1.536 446 HG22 VAL 61 2HG2 VAL 61 9.364 5.188 -0.362 447 HG23 VAL 61 3HG2 VAL 61 9.792 4.978 -2.060 448 H VAL 62 H VAL 62 8.604 3.297 -4.545 449 HA VAL 62 HA VAL 62 11.195 4.519 -5.166 450 HB VAL 62 HB VAL 62 9.670 2.748 -7.081 451 HG11 VAL 62 1HG1 VAL 62 10.846 3.598 -8.781 452 HG12 VAL 62 2HG1 VAL 62 11.188 4.953 -7.702 453 HG13 VAL 62 3HG1 VAL 62 12.342 3.625 -7.848 454 HG21 VAL 62 1HG2 VAL 62 11.957 1.537 -7.028 455 HG22 VAL 62 2HG2 VAL 62 12.185 2.381 -5.497 456 HG23 VAL 62 3HG2 VAL 62 10.823 1.279 -5.702 457 H ASP 63 H ASP 63 11.022 6.499 -6.024 458 HA ASP 63 HA ASP 63 8.399 7.641 -6.369 459 HB2 ASP 63 1HB ASP 63 9.978 9.053 -5.300 460 HB3 ASP 63 2HB ASP 63 11.192 8.762 -6.542 461 H ASN 64 H ASN 64 7.396 8.190 -8.231 462 HA ASN 64 HA ASN 64 8.317 6.991 -10.662 463 HB2 ASN 64 1HB ASN 64 5.936 8.725 -10.001 464 HB3 ASN 64 2HB ASN 64 6.249 8.111 -11.622 465 HD21 ASN 64 1HD2 ASN 64 5.977 6.997 -8.270 466 HD22 ASN 64 2HD2 ASN 64 5.171 5.516 -8.647 467 H GLY 65 H GLY 65 7.982 10.308 -9.464 468 HA2 GLY 65 1HA GLY 65 9.725 11.898 -10.103 469 HA3 GLY 65 2HA GLY 65 9.703 11.173 -11.703 470 H ASP 66 H ASP 66 6.681 11.053 -11.504 471 HA ASP 66 HA ASP 66 6.238 13.735 -12.547 472 HB2 ASP 66 1HB ASP 66 4.620 11.193 -12.607 473 HB3 ASP 66 2HB ASP 66 3.955 12.735 -13.136 474 H GLY 67 H GLY 67 4.974 11.597 -10.017 475 HA2 GLY 67 1HA GLY 67 4.570 13.437 -8.057 476 HA3 GLY 67 2HA GLY 67 3.124 13.582 -9.045 477 H THR 68 H THR 68 4.874 10.584 -8.510 478 HA THR 68 HA THR 68 2.955 9.675 -6.531 479 HB THR 68 HB THR 68 2.241 7.716 -7.793 480 HG1 THR 68 1HG THR 68 2.762 7.971 -10.208 481 HG21 THR 68 1HG2 THR 68 1.028 9.955 -7.960 482 HG22 THR 68 2HG2 THR 68 0.675 8.763 -9.212 483 HG23 THR 68 3HG2 THR 68 1.763 10.106 -9.556 484 H HIS 69 H HIS 69 3.421 7.187 -6.145 485 HA HIS 69 HA HIS 69 6.277 6.617 -6.407 486 HB2 HIS 69 1HB HIS 69 4.844 6.459 -3.750 487 HB3 HIS 69 2HB HIS 69 6.549 6.136 -4.054 488 HD1 HIS 69 1HD HIS 69 7.984 7.994 -3.319 489 HD2 HIS 69 2HD HIS 69 4.274 9.345 -4.610 490 HE1 HIS 69 1HE HIS 69 8.036 10.489 -3.016 491 HE2 HIS 69 2HE HIS 69 5.750 11.276 -3.724 492 H THR 70 H THR 70 6.614 4.570 -6.973 493 HA THR 70 HA THR 70 4.375 2.725 -7.005 494 HB THR 70 HB THR 70 7.183 2.472 -8.093 495 HG1 THR 70 1HG THR 70 4.747 2.604 -9.542 496 HG21 THR 70 1HG2 THR 70 6.089 0.296 -7.381 497 HG22 THR 70 2HG2 THR 70 6.570 0.403 -9.074 498 HG23 THR 70 3HG2 THR 70 4.878 0.608 -8.622 499 H VAL 71 H VAL 71 4.205 0.852 -5.854 500 HA VAL 71 HA VAL 71 6.370 0.210 -3.967 501 HB VAL 71 HB VAL 71 3.427 0.187 -3.285 502 HG11 VAL 71 1HG1 VAL 71 5.695 -1.112 -2.117 503 HG12 VAL 71 2HG1 VAL 71 5.041 0.075 -0.986 504 HG13 VAL 71 3HG1 VAL 71 3.999 -1.190 -1.640 505 HG21 VAL 71 1HG2 VAL 71 4.026 2.450 -3.326 506 HG22 VAL 71 2HG2 VAL 71 4.195 1.985 -1.633 507 HG23 VAL 71 3HG2 VAL 71 5.625 2.132 -2.654 508 H THR 72 H THR 72 7.105 -1.693 -4.667 509 HA THR 72 HA THR 72 5.235 -3.685 -5.708 510 HB THR 72 HB THR 72 7.285 -4.949 -6.345 511 HG1 THR 72 1HG THR 72 8.936 -4.324 -5.121 512 HG21 THR 72 1HG2 THR 72 6.351 -3.591 -8.044 513 HG22 THR 72 2HG2 THR 72 8.080 -3.246 -8.052 514 HG23 THR 72 3HG2 THR 72 6.959 -2.112 -7.300 515 H TYR 73 H TYR 73 4.903 -5.672 -4.792 516 HA TYR 73 HA TYR 73 6.448 -6.583 -2.544 517 HB2 TYR 73 1HB TYR 73 4.906 -6.348 -0.829 518 HB3 TYR 73 2HB TYR 73 4.680 -4.844 -1.714 519 HD1 TYR 73 2HD TYR 73 3.211 -8.092 -0.876 520 HD2 TYR 73 1HD TYR 73 2.654 -4.440 -2.987 521 HE1 TYR 73 2HE TYR 73 0.819 -8.608 -1.125 522 HE2 TYR 73 1HE TYR 73 0.260 -4.945 -3.241 523 HH TYR 73 HH TYR 73 -1.446 -6.274 -2.346 524 H THR 74 H THR 74 5.517 -8.659 -1.655 525 HA THR 74 HA THR 74 3.791 -10.085 -3.529 526 HB THR 74 HB THR 74 6.559 -11.065 -2.803 527 HG1 THR 74 1HG THR 74 5.503 -10.532 -5.387 528 HG21 THR 74 1HG2 THR 74 6.040 -12.988 -4.224 529 HG22 THR 74 2HG2 THR 74 4.405 -12.373 -4.469 530 HG23 THR 74 3HG2 THR 74 4.923 -12.888 -2.864 531 HA PRO 75 HA PRO 75 2.409 -11.367 0.537 532 HB2 PRO 75 1HB PRO 75 0.182 -12.639 -0.354 533 HB3 PRO 75 2HB PRO 75 0.283 -10.882 -0.183 534 HG2 PRO 75 1HG PRO 75 0.589 -12.567 -2.638 535 HG3 PRO 75 2HG PRO 75 -0.286 -11.040 -2.433 536 HD2 PRO 75 1HD PRO 75 2.177 -11.168 -3.549 537 HD3 PRO 75 2HD PRO 75 1.632 -9.772 -2.596 538 H SER 76 H SER 76 4.061 -12.867 0.976 539 HA SER 76 HA SER 76 4.819 -15.158 -0.146 540 HB2 SER 76 1HB SER 76 4.312 -14.551 2.752 541 HB3 SER 76 2HB SER 76 4.898 -16.142 2.269 542 HG SER 76 HG SER 76 6.192 -13.855 1.292 543 H GLN 77 H GLN 77 2.005 -15.019 2.042 544 HA GLN 77 HA GLN 77 0.874 -17.306 0.580 545 HB2 GLN 77 1HB GLN 77 0.096 -18.306 2.620 546 HB3 GLN 77 2HB GLN 77 1.824 -18.014 2.776 547 HG2 GLN 77 1HG GLN 77 1.190 -15.857 3.964 548 HG3 GLN 77 2HG GLN 77 -0.440 -16.523 4.053 549 HE21 GLN 77 1HE2 GLN 77 -0.354 -16.571 6.306 550 HE22 GLN 77 2HE2 GLN 77 0.570 -17.756 7.158 551 H GLU 78 H GLU 78 -1.471 -17.489 0.743 552 HA GLU 78 HA GLU 78 -2.731 -14.953 0.398 553 HB2 GLU 78 1HB GLU 78 -4.686 -16.171 -0.190 554 HB3 GLU 78 2HB GLU 78 -3.323 -17.079 -0.828 555 HG2 GLU 78 1HG GLU 78 -4.539 -17.738 1.828 556 HG3 GLU 78 2HG GLU 78 -5.196 -18.374 0.321 557 H GLY 79 H GLY 79 -4.965 -14.615 1.494 558 HA2 GLY 79 1HA GLY 79 -6.140 -15.185 3.654 559 HA3 GLY 79 2HA GLY 79 -4.564 -14.971 4.399 560 HA PRO 80 HA PRO 80 -7.033 -10.954 4.376 561 HB2 PRO 80 1HB PRO 80 -7.260 -10.705 7.069 562 HB3 PRO 80 2HB PRO 80 -8.450 -11.560 6.080 563 HG2 PRO 80 1HG PRO 80 -6.209 -12.668 7.725 564 HG3 PRO 80 2HG PRO 80 -7.878 -13.247 7.573 565 HD2 PRO 80 1HD PRO 80 -5.811 -14.390 6.246 566 HD3 PRO 80 2HD PRO 80 -7.455 -14.322 5.578 567 H TYR 81 H TYR 81 -4.911 -10.253 3.597 568 HA TYR 81 HA TYR 81 -2.865 -9.655 5.545 569 HB2 TYR 81 1HB TYR 81 -3.134 -9.461 2.591 570 HB3 TYR 81 2HB TYR 81 -1.985 -8.376 3.366 571 HD1 TYR 81 1HD TYR 81 -2.931 -11.967 3.846 572 HD2 TYR 81 2HD TYR 81 0.177 -9.139 3.173 573 HE1 TYR 81 1HE TYR 81 -1.272 -13.782 3.913 574 HE2 TYR 81 2HE TYR 81 1.843 -10.947 3.238 575 HH TYR 81 HH TYR 81 2.095 -13.224 3.121 576 H MET 82 H MET 82 -1.871 -7.351 5.353 577 HA MET 82 HA MET 82 -3.852 -5.252 5.051 578 HB2 MET 82 1HB MET 82 -4.262 -5.922 7.335 579 HB3 MET 82 2HB MET 82 -2.543 -5.867 7.704 580 HG2 MET 82 1HG MET 82 -2.510 -3.482 7.456 581 HG3 MET 82 2HG MET 82 -4.180 -3.477 6.895 582 HE1 MET 82 1HE MET 82 -1.868 -2.821 9.252 583 HE2 MET 82 2HE MET 82 -2.950 -2.006 10.381 584 HE3 MET 82 3HE MET 82 -2.252 -3.570 10.803 585 H VAL 83 H VAL 83 -2.939 -3.460 4.261 586 HA VAL 83 HA VAL 83 -0.008 -3.209 4.454 587 HB VAL 83 HB VAL 83 -1.831 -2.265 2.236 588 HG11 VAL 83 1HG1 VAL 83 0.753 -1.352 3.045 589 HG12 VAL 83 2HG1 VAL 83 0.884 -2.154 1.478 590 HG13 VAL 83 3HG1 VAL 83 -0.242 -0.813 1.693 591 HG21 VAL 83 1HG2 VAL 83 -1.313 -4.119 1.087 592 HG22 VAL 83 2HG2 VAL 83 0.370 -4.092 1.613 593 HG23 VAL 83 3HG2 VAL 83 -0.870 -4.788 2.657 594 H SER 84 H SER 84 0.197 -1.853 6.177 595 HA SER 84 HA SER 84 -1.475 0.475 6.475 596 HB2 SER 84 1HB SER 84 -0.743 -0.613 8.491 597 HB3 SER 84 2HB SER 84 0.946 -0.503 8.000 598 HG SER 84 HG SER 84 0.953 1.622 8.429 599 H VAL 85 H VAL 85 -1.052 2.511 5.862 600 HA VAL 85 HA VAL 85 1.638 3.123 4.828 601 HB VAL 85 HB VAL 85 -0.983 3.980 3.594 602 HG11 VAL 85 1HG1 VAL 85 1.147 4.544 1.872 603 HG12 VAL 85 2HG1 VAL 85 0.148 5.701 2.756 604 HG13 VAL 85 3HG1 VAL 85 1.657 5.116 3.460 605 HG21 VAL 85 1HG2 VAL 85 0.321 1.588 3.289 606 HG22 VAL 85 2HG2 VAL 85 -0.792 2.304 2.122 607 HG23 VAL 85 3HG2 VAL 85 0.947 2.541 1.943 608 H LYS 86 H LYS 86 2.502 5.011 5.474 609 HA LYS 86 HA LYS 86 0.759 6.895 6.922 610 HB2 LYS 86 1HB LYS 86 2.549 5.391 8.198 611 HB3 LYS 86 2HB LYS 86 3.635 6.669 7.668 612 HG2 LYS 86 1HG LYS 86 2.517 8.299 8.910 613 HG3 LYS 86 2HG LYS 86 1.083 7.291 9.109 614 HD2 LYS 86 1HD LYS 86 2.553 5.704 10.434 615 HD3 LYS 86 2HD LYS 86 3.770 6.982 10.429 616 HE2 LYS 86 1HE LYS 86 1.973 8.492 11.396 617 HE3 LYS 86 2HE LYS 86 1.023 7.030 11.655 618 HZ1 LYS 86 1HZ LYS 86 3.475 7.915 12.990 619 HZ2 LYS 86 2HZ LYS 86 3.226 6.252 12.808 620 HZ3 LYS 86 3HZ LYS 86 2.093 7.191 13.643 621 H TYR 87 H TYR 87 1.781 9.106 7.119 622 HA TYR 87 HA TYR 87 3.663 9.822 5.041 623 HB2 TYR 87 1HB TYR 87 1.257 9.737 4.061 624 HB3 TYR 87 2HB TYR 87 1.008 11.224 4.968 625 HD1 TYR 87 1HD TYR 87 3.241 9.685 2.416 626 HD2 TYR 87 2HD TYR 87 1.645 13.274 4.054 627 HE1 TYR 87 1HE TYR 87 4.258 10.967 0.581 628 HE2 TYR 87 2HE TYR 87 2.657 14.566 2.222 629 HH TYR 87 HH TYR 87 3.984 13.084 -0.558 630 H ALA 88 H ALA 88 5.035 10.907 6.313 631 HA ALA 88 HA ALA 88 5.888 12.580 7.602 632 HB1 ALA 88 1HB ALA 88 5.023 14.639 7.313 633 HB2 ALA 88 2HB ALA 88 3.994 13.820 6.138 634 HB3 ALA 88 3HB ALA 88 3.395 14.136 7.766 635 H ASP 89 H ASP 89 4.895 10.334 8.889 636 HA ASP 89 HA ASP 89 4.398 9.560 10.970 637 HB2 ASP 89 1HB ASP 89 4.992 12.446 11.561 638 HB3 ASP 89 2HB ASP 89 4.440 11.363 12.837 639 H GLU 90 H GLU 90 2.279 10.329 9.173 640 HA GLU 90 HA GLU 90 0.138 10.586 11.146 641 HB2 GLU 90 1HB GLU 90 0.354 12.300 8.665 642 HB3 GLU 90 2HB GLU 90 -1.074 12.192 9.686 643 HG2 GLU 90 1HG GLU 90 1.503 12.923 10.962 644 HG3 GLU 90 2HG GLU 90 0.695 14.127 9.958 645 H GLU 91 H GLU 91 -0.805 8.656 10.892 646 HA GLU 91 HA GLU 91 -0.839 7.083 8.608 647 HB2 GLU 91 1HB GLU 91 -2.400 7.170 11.127 648 HB3 GLU 91 2HB GLU 91 -3.107 6.260 9.799 649 HG2 GLU 91 1HG GLU 91 -1.458 4.676 9.820 650 HG3 GLU 91 2HG GLU 91 -0.259 5.774 10.500 651 H ILE 92 H ILE 92 -1.631 7.589 6.681 652 HA ILE 92 HA ILE 92 -3.372 9.623 6.045 653 HB ILE 92 HB ILE 92 -3.787 8.469 3.913 654 HG12 ILE 92 1HG1 ILE 92 -2.176 6.185 5.061 655 HG13 ILE 92 2HG1 ILE 92 -3.932 6.174 4.942 656 HG21 ILE 92 1HG2 ILE 92 -1.310 8.110 3.329 657 HG22 ILE 92 2HG2 ILE 92 -1.809 9.699 3.906 658 HG23 ILE 92 3HG2 ILE 92 -0.996 8.580 5.000 659 HD11 ILE 92 1HD1 ILE 92 -3.109 6.834 2.394 660 HD12 ILE 92 2HD1 ILE 92 -1.931 5.635 2.925 661 HD13 ILE 92 3HD1 ILE 92 -3.652 5.250 2.947 662 HA PRO 93 HA PRO 93 -7.423 8.375 7.196 663 HB2 PRO 93 1HB PRO 93 -8.894 9.556 5.243 664 HB3 PRO 93 2HB PRO 93 -8.116 10.466 6.542 665 HG2 PRO 93 1HG PRO 93 -7.204 10.032 3.724 666 HG3 PRO 93 2HG PRO 93 -7.178 11.518 4.692 667 HD2 PRO 93 1HD PRO 93 -4.980 9.980 4.323 668 HD3 PRO 93 2HD PRO 93 -5.260 10.902 5.814 669 H ARG 94 H ARG 94 -5.817 6.966 4.760 670 HA ARG 94 HA ARG 94 -8.130 5.329 3.949 671 HB2 ARG 94 1HB ARG 94 -5.662 6.041 2.357 672 HB3 ARG 94 2HB ARG 94 -6.853 4.850 1.853 673 HG2 ARG 94 1HG ARG 94 -7.715 6.596 0.734 674 HG3 ARG 94 2HG ARG 94 -8.466 6.952 2.291 675 HD2 ARG 94 1HD ARG 94 -6.568 8.432 2.832 676 HD3 ARG 94 2HD ARG 94 -5.891 8.114 1.236 677 HE ARG 94 HE ARG 94 -7.313 9.682 0.407 678 HH11 ARG 94 1HH1 ARG 94 -8.649 8.454 3.378 679 HH12 ARG 94 2HH1 ARG 94 -10.001 9.537 3.370 680 HH21 ARG 94 1HH2 ARG 94 -9.089 11.114 0.386 681 HH22 ARG 94 2HH2 ARG 94 -10.250 11.050 1.668 682 H SER 95 H SER 95 -5.417 5.360 5.793 683 HA SER 95 HA SER 95 -4.876 2.496 5.364 684 HB2 SER 95 1HB SER 95 -2.782 3.401 5.127 685 HB3 SER 95 2HB SER 95 -3.150 4.791 6.146 686 HG SER 95 HG SER 95 -2.556 3.701 7.871 687 HA PRO 96 HA PRO 96 -3.458 1.077 6.609 688 HB2 PRO 96 1HB PRO 96 -4.369 -1.360 7.384 689 HB3 PRO 96 2HB PRO 96 -3.250 -0.399 8.358 690 HG2 PRO 96 1HG PRO 96 -6.216 -0.702 8.627 691 HG3 PRO 96 2HG PRO 96 -4.973 -0.692 9.892 692 HD2 PRO 96 1HD PRO 96 -6.497 1.475 9.331 693 HD3 PRO 96 2HD PRO 96 -4.820 1.608 9.900 694 H PHE 97 H PHE 97 -3.834 -0.823 5.071 695 HA PHE 97 HA PHE 97 -6.425 -0.456 3.716 696 HB2 PHE 97 1HB PHE 97 -3.675 -0.962 2.581 697 HB3 PHE 97 2HB PHE 97 -5.147 -1.146 1.632 698 HD1 PHE 97 1HD PHE 97 -6.602 0.838 1.234 699 HD2 PHE 97 2HD PHE 97 -2.739 1.159 2.993 700 HE1 PHE 97 1HE PHE 97 -6.566 3.242 0.709 701 HE2 PHE 97 2HE PHE 97 -2.697 3.564 2.472 702 HZ PHE 97 HZ PHE 97 -4.613 4.608 1.329 703 H LYS 98 H LYS 98 -7.702 -2.167 3.829 704 HA LYS 98 HA LYS 98 -6.705 -4.746 4.611 705 HB2 LYS 98 1HB LYS 98 -9.446 -3.720 3.887 706 HB3 LYS 98 2HB LYS 98 -9.144 -5.410 4.271 707 HG2 LYS 98 1HG LYS 98 -8.709 -4.969 6.489 708 HG3 LYS 98 2HG LYS 98 -8.275 -3.287 6.179 709 HD2 LYS 98 1HD LYS 98 -10.357 -3.101 7.187 710 HD3 LYS 98 2HD LYS 98 -10.753 -3.033 5.469 711 HE2 LYS 98 1HE LYS 98 -10.987 -5.629 5.738 712 HE3 LYS 98 2HE LYS 98 -11.198 -5.230 7.441 713 HZ1 LYS 98 1HZ LYS 98 -13.285 -4.677 7.025 714 HZ2 LYS 98 2HZ LYS 98 -13.091 -5.092 5.396 715 HZ3 LYS 98 3HZ LYS 98 -12.794 -3.507 5.907 716 H VAL 99 H VAL 99 -5.805 -6.123 3.239 717 HA VAL 99 HA VAL 99 -6.904 -6.315 0.513 718 HB VAL 99 HB VAL 99 -3.989 -6.478 1.291 719 HG11 VAL 99 1HG1 VAL 99 -3.852 -6.529 -1.335 720 HG12 VAL 99 2HG1 VAL 99 -4.078 -8.014 -0.409 721 HG13 VAL 99 3HG1 VAL 99 -5.459 -7.239 -1.185 722 HG21 VAL 99 1HG2 VAL 99 -4.756 -4.196 1.194 723 HG22 VAL 99 2HG2 VAL 99 -3.767 -4.531 -0.228 724 HG23 VAL 99 3HG2 VAL 99 -5.524 -4.481 -0.368 725 H LYS 100 H LYS 100 -8.015 -8.179 0.603 726 HA LYS 100 HA LYS 100 -7.023 -10.459 2.079 727 HB2 LYS 100 1HB LYS 100 -9.418 -9.986 2.066 728 HB3 LYS 100 2HB LYS 100 -9.457 -10.134 0.314 729 HG2 LYS 100 1HG LYS 100 -8.512 -12.528 0.805 730 HG3 LYS 100 2HG LYS 100 -9.230 -12.249 2.394 731 HD2 LYS 100 1HD LYS 100 -10.902 -13.325 1.132 732 HD3 LYS 100 2HD LYS 100 -11.358 -11.620 1.154 733 HE2 LYS 100 1HE LYS 100 -10.512 -11.302 -1.065 734 HE3 LYS 100 2HE LYS 100 -9.815 -12.921 -1.084 735 HZ1 LYS 100 1HZ LYS 100 -11.714 -13.432 -2.130 736 HZ2 LYS 100 2HZ LYS 100 -12.544 -12.080 -1.548 737 HZ3 LYS 100 3HZ LYS 100 -12.385 -13.456 -0.578 738 H VAL 101 H VAL 101 -5.240 -11.318 1.134 739 HA VAL 101 HA VAL 101 -4.880 -11.579 -1.669 740 HB VAL 101 HB VAL 101 -3.490 -13.110 0.534 741 HG11 VAL 101 1HG1 VAL 101 -1.637 -13.138 -1.218 742 HG12 VAL 101 2HG1 VAL 101 -3.018 -14.201 -1.493 743 HG13 VAL 101 3HG1 VAL 101 -2.884 -12.681 -2.377 744 HG21 VAL 101 1HG2 VAL 101 -2.174 -10.810 -0.762 745 HG22 VAL 101 2HG2 VAL 101 -3.505 -10.426 0.329 746 HG23 VAL 101 3HG2 VAL 101 -2.122 -11.350 0.915 747 H LEU 102 H LEU 102 -5.045 -13.373 -3.000 748 HA LEU 102 HA LEU 102 -6.723 -15.552 -1.950 749 HB2 LEU 102 1HB LEU 102 -6.544 -14.303 -4.674 750 HB3 LEU 102 2HB LEU 102 -7.302 -15.872 -4.412 751 HG LEU 102 HG LEU 102 -8.206 -13.364 -3.013 752 HD11 LEU 102 1HD1 LEU 102 -9.165 -14.548 -5.611 753 HD12 LEU 102 2HD1 LEU 102 -8.461 -12.951 -5.360 754 HD13 LEU 102 3HD1 LEU 102 -10.043 -13.334 -4.681 755 HD21 LEU 102 1HD2 LEU 102 -8.735 -15.862 -2.309 756 HD22 LEU 102 2HD2 LEU 102 -9.940 -15.704 -3.587 757 HD23 LEU 102 3HD2 LEU 102 -9.954 -14.590 -2.219 758 HA PRO 103 HA PRO 103 -3.616 -18.517 -2.859 759 HB2 PRO 103 1HB PRO 103 -5.116 -20.651 -3.614 760 HB3 PRO 103 2HB PRO 103 -5.013 -20.093 -1.941 761 HG2 PRO 103 1HG PRO 103 -7.145 -19.582 -3.980 762 HG3 PRO 103 2HG PRO 103 -7.314 -19.990 -2.262 763 HD2 PRO 103 1HD PRO 103 -7.562 -17.458 -3.191 764 HD3 PRO 103 2HD PRO 103 -6.911 -17.825 -1.581 765 H THR 104 H THR 104 -2.296 -18.470 -4.556 766 HA THR 104 HA THR 104 -2.637 -17.646 -7.062 767 HB THR 104 HB THR 104 -1.019 -20.096 -6.336 768 HG1 THR 104 1HG THR 104 -0.321 -17.333 -6.477 769 HG21 THR 104 1HG2 THR 104 0.144 -19.880 -8.343 770 HG22 THR 104 2HG2 THR 104 -0.431 -18.234 -8.612 771 HG23 THR 104 3HG2 THR 104 -1.529 -19.597 -8.824 772 H TYR 105 H TYR 105 -3.628 -20.808 -5.883 773 HA TYR 105 HA TYR 105 -4.510 -21.654 -8.514 774 HB2 TYR 105 1HB TYR 105 -4.655 -22.970 -5.798 775 HB3 TYR 105 2HB TYR 105 -5.289 -23.699 -7.268 776 HD1 TYR 105 1HD TYR 105 -2.141 -22.277 -5.857 777 HD2 TYR 105 2HD TYR 105 -3.909 -25.055 -8.553 778 HE1 TYR 105 1HE TYR 105 0.081 -23.213 -6.342 779 HE2 TYR 105 2HE TYR 105 -1.692 -25.999 -9.043 780 HH TYR 105 HH TYR 105 1.154 -25.037 -7.248 781 H ASP 106 H ASP 106 -6.311 -20.744 -9.263 782 HA ASP 106 HA ASP 106 -8.595 -20.450 -7.423 783 HB2 ASP 106 1HB ASP 106 -7.747 -18.801 -9.798 784 HB3 ASP 106 2HB ASP 106 -9.387 -18.733 -9.157 785 H ALA 107 H ALA 107 -9.363 -22.554 -7.794 786 HA ALA 107 HA ALA 107 -10.032 -23.347 -10.509 787 HB1 ALA 107 1HB ALA 107 -11.023 -25.024 -8.326 788 HB2 ALA 107 2HB ALA 107 -10.055 -25.450 -9.737 789 HB3 ALA 107 3HB ALA 107 -9.279 -24.771 -8.308 790 H SER 108 H SER 108 -11.377 -21.040 -9.713 791 HA SER 108 HA SER 108 -13.939 -21.503 -8.638 792 HB2 SER 108 1HB SER 108 -12.930 -19.309 -10.458 793 HB3 SER 108 2HB SER 108 -14.515 -19.298 -9.685 794 HG SER 108 HG SER 108 -13.311 -18.241 -8.250
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