NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
496395 | 2l31 | 17158 | 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 H1 GLY 1 -7.560 21.034 14.058 2 H2 GLY 1 H2 GLY 1 -7.224 21.603 15.556 3 H3 GLY 1 H3 GLY 1 -8.714 21.006 15.222 4 HA2 GLY 1 2HA GLY 1 -7.458 19.413 16.517 5 HA3 GLY 1 3HA GLY 1 -7.847 18.794 14.902 6 H SER 2 H SER 2 -5.643 18.045 16.718 7 HA SER 2 HA SER 2 -3.150 19.121 15.817 8 HB2 SER 2 2HB SER 2 -3.729 16.429 17.107 9 HB3 SER 2 3HB SER 2 -2.147 17.226 16.996 10 HG SER 2 HG SER 2 -3.174 17.597 19.025 11 H LYS 3 H LYS 3 -1.529 18.249 14.512 12 HA LYS 3 HA LYS 3 -2.378 16.808 12.117 13 HB2 LYS 3 2HB LYS 3 0.358 17.768 13.056 14 HB3 LYS 3 3HB LYS 3 0.037 17.015 11.489 15 HG2 LYS 3 2HG LYS 3 -1.528 18.838 10.896 16 HG3 LYS 3 3HG LYS 3 -1.275 19.590 12.475 17 HD2 LYS 3 2HD LYS 3 0.033 20.774 10.850 18 HD3 LYS 3 3HD LYS 3 1.129 19.919 11.944 19 HE2 LYS 3 2HE LYS 3 1.432 18.129 10.245 20 HE3 LYS 3 3HE LYS 3 0.290 18.949 9.170 21 HZ1 LYS 3 3HZ LYS 3 1.833 20.836 9.086 22 HZ2 LYS 3 1HZ LYS 3 2.885 20.080 10.082 23 HZ3 LYS 3 2HZ LYS 3 2.590 19.478 8.595 24 H ALA 4 H ALA 4 -1.630 14.826 11.350 25 HA ALA 4 HA ALA 4 -1.256 12.763 13.386 26 HB1 ALA 4 1HB ALA 4 -2.786 12.438 11.483 27 HB2 ALA 4 2HB ALA 4 -1.419 12.578 10.350 28 HB3 ALA 4 3HB ALA 4 -1.498 11.220 11.491 29 H GLU 5 H GLU 5 0.472 11.368 13.613 30 HA GLU 5 HA GLU 5 3.068 12.111 12.300 31 HB2 GLU 5 2HB GLU 5 4.191 11.367 14.287 32 HB3 GLU 5 3HB GLU 5 2.991 12.593 14.690 33 HG2 GLU 5 2HG GLU 5 1.430 10.789 15.457 34 HG3 GLU 5 3HG GLU 5 2.660 9.582 15.081 35 H LYS 6 H LYS 6 0.820 9.497 12.711 36 HA LYS 6 HA LYS 6 2.731 7.384 11.990 37 HB2 LYS 6 2HB LYS 6 0.857 7.097 13.592 38 HB3 LYS 6 3HB LYS 6 -0.304 7.312 12.274 39 HG2 LYS 6 2HG LYS 6 0.537 5.300 11.147 40 HG3 LYS 6 3HG LYS 6 1.824 5.119 12.347 41 HD2 LYS 6 2HD LYS 6 -1.171 4.931 12.912 42 HD3 LYS 6 3HD LYS 6 -0.073 3.563 12.676 43 HE2 LYS 6 2HE LYS 6 1.300 4.404 14.627 44 HE3 LYS 6 3HE LYS 6 0.052 5.624 14.926 45 HZ1 LYS 6 3HZ LYS 6 -1.542 3.791 15.232 46 HZ2 LYS 6 1HZ LYS 6 -0.357 2.690 14.949 47 HZ3 LYS 6 2HZ LYS 6 -0.297 3.638 16.282 48 H THR 7 H THR 7 0.578 9.493 10.252 49 HA THR 7 HA THR 7 1.305 8.149 7.701 50 HB THR 7 HB THR 7 -1.438 9.352 8.069 51 HG1 THR 7 1HG THR 7 -1.414 7.754 9.553 52 HG21 THR 7 1HG2 THR 7 -0.578 7.088 6.241 53 HG22 THR 7 2HG2 THR 7 -2.029 8.112 6.137 54 HG23 THR 7 3HG2 THR 7 -0.451 8.752 5.735 55 H LEU 8 H LEU 8 1.739 9.538 5.957 56 HA LEU 8 HA LEU 8 1.894 12.402 6.462 57 HB2 LEU 8 2HB LEU 8 2.853 12.654 4.419 58 HB3 LEU 8 3HB LEU 8 3.347 11.029 4.851 59 HG LEU 8 HG LEU 8 1.124 11.810 2.892 60 HD11 LEU 8 1HD1 LEU 8 3.815 10.494 2.404 61 HD12 LEU 8 2HD1 LEU 8 2.597 10.914 1.185 62 HD13 LEU 8 3HD1 LEU 8 3.428 12.198 2.077 63 HD21 LEU 8 3HD2 LEU 8 2.152 9.072 3.718 64 HD22 LEU 8 1HD2 LEU 8 0.498 9.682 3.907 65 HD23 LEU 8 2HD2 LEU 8 1.135 9.374 2.301 66 H GLY 9 H GLY 9 -0.806 10.491 5.713 67 HA2 GLY 9 2HA GLY 9 -3.028 11.171 5.580 68 HA3 GLY 9 3HA GLY 9 -2.526 12.836 5.303 69 H ASP 10 H ASP 10 -1.733 9.834 3.429 70 HA ASP 10 HA ASP 10 -3.244 10.800 1.098 71 HB2 ASP 10 2HB ASP 10 -0.951 11.990 1.201 72 HB3 ASP 10 3HB ASP 10 -0.263 10.389 0.872 73 H PHE 11 H PHE 11 -1.264 8.214 2.600 74 HA PHE 11 HA PHE 11 -2.689 6.275 0.908 75 HB2 PHE 11 2HB PHE 11 -0.419 5.051 0.607 76 HB3 PHE 11 3HB PHE 11 -0.922 6.316 -0.464 77 HD1 PHE 11 HD1 PHE 11 1.147 6.090 2.730 78 HD2 PHE 11 HD2 PHE 11 0.636 7.797 -1.202 79 HE1 PHE 11 HE1 PHE 11 3.434 7.024 2.832 80 HE2 PHE 11 HE2 PHE 11 2.888 8.813 -1.045 81 HZ PHE 11 HZ PHE 11 4.299 8.398 0.958 82 H ALA 12 H ALA 12 -2.657 4.106 1.605 83 HA ALA 12 HA ALA 12 -2.524 3.830 4.574 84 HB1 ALA 12 1HB ALA 12 -4.812 2.961 4.501 85 HB2 ALA 12 2HB ALA 12 -4.768 4.587 3.776 86 HB3 ALA 12 3HB ALA 12 -4.853 3.152 2.740 87 H ALA 13 H ALA 13 -2.559 1.701 5.418 88 HA ALA 13 HA ALA 13 -2.132 -0.578 3.542 89 HB1 ALA 13 1HB ALA 13 -0.489 0.097 6.028 90 HB2 ALA 13 2HB ALA 13 -0.238 -1.273 4.915 91 HB3 ALA 13 3HB ALA 13 0.023 0.394 4.357 92 H GLU 14 H GLU 14 -3.157 -2.460 4.138 93 HA GLU 14 HA GLU 14 -3.826 -3.054 6.930 94 HB2 GLU 14 2HB GLU 14 -6.240 -3.370 6.488 95 HB3 GLU 14 3HB GLU 14 -5.749 -1.685 6.404 96 HG2 GLU 14 2HG GLU 14 -5.810 -1.733 3.948 97 HG3 GLU 14 3HG GLU 14 -6.138 -3.468 3.964 98 H TYR 15 H TYR 15 -4.871 -5.307 7.084 99 HA TYR 15 HA TYR 15 -4.012 -7.152 4.947 100 HB2 TYR 15 2HB TYR 15 -5.940 -7.583 7.243 101 HB3 TYR 15 3HB TYR 15 -5.275 -8.823 6.189 102 HD1 TYR 15 HD2 TYR 15 -2.304 -7.579 6.280 103 HD2 TYR 15 HD1 TYR 15 -5.258 -8.700 9.232 104 HE1 TYR 15 HE2 TYR 15 -0.490 -8.108 7.899 105 HE2 TYR 15 HE1 TYR 15 -3.444 -9.198 10.850 106 HH TYR 15 HH TYR 15 -1.218 -9.330 11.195 107 H ALA 16 H ALA 16 -5.199 -7.915 3.314 108 HA ALA 16 HA ALA 16 -7.540 -6.602 2.392 109 HB1 ALA 16 1HB ALA 16 -6.265 -9.233 1.637 110 HB2 ALA 16 2HB ALA 16 -7.480 -8.368 0.665 111 HB3 ALA 16 3HB ALA 16 -5.876 -7.652 0.939 112 H LYS 17 H LYS 17 -9.229 -6.636 3.837 113 HA LYS 17 HA LYS 17 -10.289 -8.972 5.119 114 HB2 LYS 17 2HB LYS 17 -10.628 -6.580 5.796 115 HB3 LYS 17 3HB LYS 17 -11.632 -6.332 4.373 116 HG2 LYS 17 2HG LYS 17 -12.986 -6.571 6.365 117 HG3 LYS 17 3HG LYS 17 -13.321 -7.899 5.260 118 HD2 LYS 17 2HD LYS 17 -11.931 -9.421 6.633 119 HD3 LYS 17 3HD LYS 17 -11.477 -8.066 7.693 120 HE2 LYS 17 2HE LYS 17 -13.881 -7.749 8.276 121 HE3 LYS 17 3HE LYS 17 -14.310 -9.116 7.241 122 HZ1 LYS 17 3HZ LYS 17 -12.962 -10.546 8.692 123 HZ2 LYS 17 1HZ LYS 17 -12.568 -9.278 9.647 124 HZ3 LYS 17 2HZ LYS 17 -14.114 -9.791 9.566 125 H SER 18 H SER 18 -10.508 -7.929 1.861 126 HA SER 18 HA SER 18 -12.462 -10.035 1.140 127 HB2 SER 18 2HB SER 18 -13.730 -8.395 -0.201 128 HB3 SER 18 3HB SER 18 -13.744 -7.970 1.515 129 HG SER 18 HG SER 18 -13.292 -6.136 0.276 130 H ASN 19 H ASN 19 -12.426 -10.610 -1.098 131 HA ASN 19 HA ASN 19 -9.972 -9.959 -2.623 132 HB2 ASN 19 2HB ASN 19 -10.727 -12.292 -2.405 133 HB3 ASN 19 3HB ASN 19 -12.273 -11.883 -3.152 134 HD21 ASN 19 2HD2 ASN 19 -8.783 -11.242 -4.022 135 HD22 ASN 19 1HD2 ASN 19 -8.941 -12.052 -5.569 136 H ARG 20 H ARG 20 -12.566 -8.192 -2.080 137 HA ARG 20 HA ARG 20 -13.508 -7.500 -4.774 138 HB2 ARG 20 2HB ARG 20 -13.958 -6.225 -2.038 139 HB3 ARG 20 3HB ARG 20 -14.772 -5.726 -3.517 140 HG2 ARG 20 2HG ARG 20 -15.034 -8.473 -2.213 141 HG3 ARG 20 3HG ARG 20 -16.194 -7.147 -2.104 142 HD2 ARG 20 2HD ARG 20 -16.488 -7.222 -4.581 143 HD3 ARG 20 3HD ARG 20 -15.398 -8.625 -4.645 144 HE ARG 20 HE ARG 20 -17.438 -9.203 -2.765 145 HH11 ARG 20 1HH2 ARG 20 -17.216 -8.762 -6.234 146 HH12 ARG 20 2HH2 ARG 20 -18.585 -9.795 -6.544 147 HH21 ARG 20 1HH1 ARG 20 -19.175 -10.508 -3.231 148 HH22 ARG 20 2HH1 ARG 20 -19.660 -10.754 -4.883 149 H SER 21 H SER 21 -10.910 -6.420 -2.735 150 HA SER 21 HA SER 21 -10.386 -3.963 -4.235 151 HB2 SER 21 2HB SER 21 -8.124 -4.145 -3.121 152 HB3 SER 21 3HB SER 21 -9.513 -3.997 -2.036 153 HG SER 21 HG SER 21 -8.408 -6.519 -2.767 154 H THR 22 H THR 22 -9.064 -3.697 -5.958 155 HA THR 22 HA THR 22 -7.631 -6.046 -7.122 156 HB THR 22 HB THR 22 -9.232 -3.997 -8.656 157 HG1 THR 22 1HG THR 22 -10.631 -5.686 -9.090 158 HG21 THR 22 1HG2 THR 22 -7.921 -6.536 -9.696 159 HG22 THR 22 2HG2 THR 22 -8.859 -5.368 -10.638 160 HG23 THR 22 3HG2 THR 22 -7.295 -4.892 -9.969 161 H CYS 23 HN CYS 23 -5.628 -5.616 -7.898 162 HA CYS 23 HA CYS 23 -4.390 -3.180 -6.978 163 HB2 CYS 23 2HB CYS 23 -3.280 -5.277 -6.724 164 HB3 CYS 23 3HB CYS 23 -3.522 -5.667 -8.428 165 H LYS 24 H LYS 24 -4.585 -1.346 -8.106 166 HA LYS 24 HA LYS 24 -4.877 -1.199 -11.025 167 HB2 LYS 24 2HB LYS 24 -4.573 0.752 -8.735 168 HB3 LYS 24 3HB LYS 24 -4.357 1.295 -10.401 169 HG2 LYS 24 2HG LYS 24 -6.628 1.681 -9.813 170 HG3 LYS 24 3HG LYS 24 -6.582 0.415 -11.023 171 HD2 LYS 24 2HD LYS 24 -7.161 -1.268 -9.391 172 HD3 LYS 24 3HD LYS 24 -6.801 -0.175 -8.048 173 HE2 LYS 24 2HE LYS 24 -9.187 -0.384 -8.235 174 HE3 LYS 24 3HE LYS 24 -8.713 1.261 -8.660 175 HZ1 LYS 24 3HZ LYS 24 -8.953 0.636 -11.022 176 HZ2 LYS 24 1HZ LYS 24 -9.418 -0.881 -10.602 177 HZ3 LYS 24 2HZ LYS 24 -10.348 0.397 -10.216 178 H GLY 25 H GLY 25 -2.222 -1.723 -9.008 179 HA2 GLY 25 2HA GLY 25 -0.136 -0.500 -10.628 180 HA3 GLY 25 3HA GLY 25 0.068 -1.719 -9.369 181 H CYS 26 HN CYS 26 -1.724 -3.662 -10.726 182 HA CYS 26 HA CYS 26 -0.328 -4.153 -13.286 183 HB2 CYS 26 2HB CYS 26 0.291 -6.405 -12.793 184 HB3 CYS 26 3HB CYS 26 0.990 -5.338 -11.575 185 H MET 27 H MET 27 -3.291 -4.058 -11.817 186 HA MET 27 HA MET 27 -5.356 -4.653 -12.316 187 HB2 MET 27 2HB MET 27 -4.333 -5.018 -15.136 188 HB3 MET 27 3HB MET 27 -6.035 -5.013 -14.690 189 HG2 MET 27 2HG MET 27 -4.324 -2.657 -13.887 190 HG3 MET 27 3HG MET 27 -4.804 -2.847 -15.560 191 HE1 MET 27 3HE MET 27 -7.352 -3.797 -12.482 192 HE2 MET 27 1HE MET 27 -6.161 -2.617 -11.889 193 HE3 MET 27 2HE MET 27 -7.857 -2.137 -12.126 194 H GLU 28 H GLU 28 -4.350 -6.399 -10.826 195 HA GLU 28 HA GLU 28 -5.839 -8.815 -11.651 196 HB2 GLU 28 2HB GLU 28 -3.087 -8.953 -10.341 197 HB3 GLU 28 3HB GLU 28 -4.240 -10.283 -10.454 198 HG2 GLU 28 2HG GLU 28 -4.199 -9.980 -12.987 199 HG3 GLU 28 3HG GLU 28 -2.834 -8.883 -12.755 200 H LYS 29 H LYS 29 -6.791 -9.932 -9.805 201 HA LYS 29 HA LYS 29 -7.661 -7.951 -7.875 202 HB2 LYS 29 2HB LYS 29 -8.306 -10.900 -7.844 203 HB3 LYS 29 3HB LYS 29 -9.083 -9.595 -6.920 204 HG2 LYS 29 2HG LYS 29 -9.834 -8.548 -9.050 205 HG3 LYS 29 3HG LYS 29 -9.222 -9.951 -9.941 206 HD2 LYS 29 2HD LYS 29 -11.279 -10.085 -7.686 207 HD3 LYS 29 3HD LYS 29 -11.700 -10.017 -9.401 208 HE2 LYS 29 2HE LYS 29 -10.707 -12.141 -9.863 209 HE3 LYS 29 3HE LYS 29 -9.874 -12.191 -8.306 210 HZ1 LYS 29 3HZ LYS 29 -11.887 -13.583 -8.351 211 HZ2 LYS 29 1HZ LYS 29 -11.948 -12.451 -7.180 212 HZ3 LYS 29 2HZ LYS 29 -12.827 -12.263 -8.562 213 H ILE 30 H ILE 30 -7.324 -7.777 -5.740 214 HA ILE 30 HA ILE 30 -4.796 -8.878 -4.739 215 HB ILE 30 HB ILE 30 -6.780 -6.821 -3.808 216 HG12 ILE 30 2HG1 ILE 30 -3.794 -6.547 -4.313 217 HG13 ILE 30 3HG1 ILE 30 -4.950 -6.481 -5.635 218 HG21 ILE 30 1HG2 ILE 30 -4.332 -7.653 -2.218 219 HG22 ILE 30 2HG2 ILE 30 -5.477 -6.327 -1.888 220 HG23 ILE 30 3HG2 ILE 30 -6.020 -7.987 -1.743 221 HD11 ILE 30 3HD1 ILE 30 -4.388 -4.252 -4.955 222 HD12 ILE 30 1HD1 ILE 30 -6.090 -4.567 -4.597 223 HD13 ILE 30 2HD1 ILE 30 -4.883 -4.565 -3.280 224 H GLU 31 H GLU 31 -4.515 -10.461 -3.295 225 HA GLU 31 HA GLU 31 -6.703 -12.310 -2.875 226 HB2 GLU 31 2HB GLU 31 -3.807 -12.303 -1.936 227 HB3 GLU 31 3HB GLU 31 -4.925 -13.640 -1.672 228 HG2 GLU 31 2HG GLU 31 -4.098 -12.592 -4.415 229 HG3 GLU 31 3HG GLU 31 -3.353 -13.948 -3.581 230 H LYS 32 H LYS 32 -7.817 -12.771 -1.110 231 HA LYS 32 HA LYS 32 -7.973 -10.954 1.126 232 HB2 LYS 32 2HB LYS 32 -9.881 -12.265 0.235 233 HB3 LYS 32 3HB LYS 32 -9.115 -13.759 0.796 234 HG2 LYS 32 2HG LYS 32 -9.267 -12.955 3.146 235 HG3 LYS 32 3HG LYS 32 -9.998 -11.439 2.577 236 HD2 LYS 32 2HD LYS 32 -11.912 -12.672 1.680 237 HD3 LYS 32 3HD LYS 32 -11.159 -14.216 2.149 238 HE2 LYS 32 2HE LYS 32 -11.213 -13.529 4.528 239 HE3 LYS 32 3HE LYS 32 -11.947 -11.986 4.078 240 HZ1 LYS 32 3HZ LYS 32 -13.622 -13.591 4.800 241 HZ2 LYS 32 1HZ LYS 32 -13.872 -13.217 3.233 242 HZ3 LYS 32 2HZ LYS 32 -13.193 -14.650 3.636 243 H GLY 33 H GLY 33 -7.350 -11.179 3.215 244 HA2 GLY 33 2HA GLY 33 -6.289 -11.972 5.109 245 HA3 GLY 33 3HA GLY 33 -6.029 -13.518 4.305 246 H GLN 34 H GLN 34 -4.670 -10.958 2.499 247 HA GLN 34 HA GLN 34 -2.080 -10.958 3.943 248 HB2 GLN 34 2HB GLN 34 -0.802 -11.211 1.901 249 HB3 GLN 34 3HB GLN 34 -1.807 -12.608 2.222 250 HG2 GLN 34 2HG GLN 34 -1.915 -12.294 -0.108 251 HG3 GLN 34 3HG GLN 34 -3.462 -11.738 0.496 252 HE21 GLN 34 1HE2 GLN 34 -4.057 -9.549 -0.023 253 HE22 GLN 34 2HE2 GLN 34 -2.849 -8.364 -0.549 254 H VAL 35 H VAL 35 -0.632 -9.067 2.998 255 HA VAL 35 HA VAL 35 -2.126 -6.741 3.700 256 HB VAL 35 HB VAL 35 0.681 -7.017 2.595 257 HG11 VAL 35 1HG1 VAL 35 -0.662 -4.576 3.847 258 HG12 VAL 35 2HG1 VAL 35 1.083 -4.753 3.558 259 HG13 VAL 35 3HG1 VAL 35 -0.021 -4.697 2.193 260 HG21 VAL 35 3HG2 VAL 35 0.291 -8.082 4.813 261 HG22 VAL 35 1HG2 VAL 35 1.341 -6.670 4.925 262 HG23 VAL 35 2HG2 VAL 35 -0.356 -6.540 5.422 263 H ARG 36 H ARG 36 -2.956 -5.054 2.646 264 HA ARG 36 HA ARG 36 -2.445 -4.679 -0.243 265 HB2 ARG 36 2HB ARG 36 -4.712 -4.176 -0.762 266 HB3 ARG 36 3HB ARG 36 -4.580 -5.797 -0.063 267 HG2 ARG 36 2HG ARG 36 -5.574 -5.082 2.018 268 HG3 ARG 36 3HG ARG 36 -5.582 -3.397 1.497 269 HD2 ARG 36 2HD ARG 36 -7.117 -3.959 -0.374 270 HD3 ARG 36 3HD ARG 36 -7.104 -5.653 0.126 271 HE ARG 36 HE ARG 36 -7.984 -3.711 2.188 272 HH11 ARG 36 1HH2 ARG 36 -9.240 -5.844 -0.344 273 HH12 ARG 36 2HH2 ARG 36 -10.787 -5.958 0.453 274 HH21 ARG 36 1HH1 ARG 36 -9.851 -3.847 3.031 275 HH22 ARG 36 2HH1 ARG 36 -11.179 -4.752 2.288 276 H LEU 37 H LEU 37 -2.113 -2.626 -0.879 277 HA LEU 37 HA LEU 37 -2.256 -0.480 1.181 278 HB2 LEU 37 2HB LEU 37 -0.387 -0.475 -1.204 279 HB3 LEU 37 3HB LEU 37 -0.424 0.591 0.221 280 HG LEU 37 HG LEU 37 1.482 -0.593 0.461 281 HD11 LEU 37 1HD1 LEU 37 0.068 -0.463 2.438 282 HD12 LEU 37 2HD1 LEU 37 -0.438 -2.148 2.208 283 HD13 LEU 37 3HD1 LEU 37 1.272 -1.768 2.512 284 HD21 LEU 37 3HD2 LEU 37 1.777 -2.973 0.377 285 HD22 LEU 37 1HD2 LEU 37 0.066 -3.262 0.040 286 HD23 LEU 37 2HD2 LEU 37 1.072 -2.419 -1.160 287 H SER 38 H SER 38 -2.808 1.666 0.422 288 HA SER 38 HA SER 38 -3.671 1.912 -2.372 289 HB2 SER 38 2HB SER 38 -5.851 2.919 -1.796 290 HB3 SER 38 3HB SER 38 -5.743 1.232 -1.293 291 HG SER 38 HG SER 38 -6.588 2.354 0.417 292 H LYS 39 H LYS 39 -3.992 4.061 -3.117 293 HA LYS 39 HA LYS 39 -2.978 6.255 -1.336 294 HB2 LYS 39 2HB LYS 39 -1.261 6.055 -2.951 295 HB3 LYS 39 3HB LYS 39 -2.405 5.789 -4.276 296 HG2 LYS 39 2HG LYS 39 -3.110 8.043 -4.313 297 HG3 LYS 39 3HG LYS 39 -2.372 8.400 -2.735 298 HD2 LYS 39 2HD LYS 39 -0.178 8.402 -3.629 299 HD3 LYS 39 3HD LYS 39 -0.712 7.691 -5.158 300 HE2 LYS 39 2HE LYS 39 -0.221 10.110 -5.342 301 HE3 LYS 39 3HE LYS 39 -1.856 9.682 -5.830 302 HZ1 LYS 39 3HZ LYS 39 -1.167 10.777 -3.158 303 HZ2 LYS 39 1HZ LYS 39 -1.728 11.693 -4.392 304 HZ3 LYS 39 2HZ LYS 39 -2.677 10.541 -3.711 305 H LYS 40 H LYS 40 -4.130 8.131 -1.266 306 HA LYS 40 HA LYS 40 -6.795 8.166 -2.567 307 HB2 LYS 40 2HB LYS 40 -6.903 8.749 -0.339 308 HB3 LYS 40 3HB LYS 40 -5.536 9.828 -0.402 309 HG2 LYS 40 2HG LYS 40 -8.123 10.325 -1.991 310 HG3 LYS 40 3HG LYS 40 -7.964 10.780 -0.302 311 HD2 LYS 40 2HD LYS 40 -6.492 11.966 -2.661 312 HD3 LYS 40 3HD LYS 40 -7.561 12.758 -1.511 313 HE2 LYS 40 2HE LYS 40 -5.862 12.404 0.290 314 HE3 LYS 40 3HE LYS 40 -4.801 11.616 -0.891 315 HZ1 LYS 40 3HZ LYS 40 -4.164 13.886 -0.607 316 HZ2 LYS 40 1HZ LYS 40 -4.689 13.679 -2.124 317 HZ3 LYS 40 2HZ LYS 40 -5.646 14.450 -1.028 318 H MET 41 H MET 41 -6.969 8.887 -4.559 319 HA MET 41 HA MET 41 -5.982 11.486 -5.327 320 HB2 MET 41 2HB MET 41 -4.650 10.837 -7.283 321 HB3 MET 41 3HB MET 41 -3.894 10.350 -5.778 322 HG2 MET 41 2HG MET 41 -4.822 8.029 -6.123 323 HG3 MET 41 3HG MET 41 -5.419 8.562 -7.700 324 HE1 MET 41 3HE MET 41 -2.595 6.186 -8.667 325 HE2 MET 41 1HE MET 41 -3.776 6.078 -7.333 326 HE3 MET 41 2HE MET 41 -4.281 6.719 -8.916 327 H VAL 42 H VAL 42 -7.072 12.291 -7.233 328 HA VAL 42 HA VAL 42 -9.391 10.940 -8.129 329 HB VAL 42 HB VAL 42 -9.230 13.300 -8.371 330 HG11 VAL 42 1HG1 VAL 42 -7.055 12.898 -10.464 331 HG12 VAL 42 2HG1 VAL 42 -7.837 14.427 -10.027 332 HG13 VAL 42 3HG1 VAL 42 -6.818 13.595 -8.847 333 HG21 VAL 42 3HG2 VAL 42 -9.319 12.066 -11.140 334 HG22 VAL 42 1HG2 VAL 42 -10.644 11.995 -9.954 335 HG23 VAL 42 2HG2 VAL 42 -10.109 13.559 -10.593 336 H ASP 43 H ASP 43 -9.773 9.395 -9.602 337 HA ASP 43 HA ASP 43 -7.603 7.788 -10.560 338 HB2 ASP 43 2HB ASP 43 -9.898 6.996 -9.941 339 HB3 ASP 43 3HB ASP 43 -10.528 7.755 -11.401 340 HA PRO 44 HA PRO 44 -6.970 10.434 -14.126 341 HB2 PRO 44 2HB PRO 44 -4.764 9.225 -15.244 342 HB3 PRO 44 3HB PRO 44 -4.689 10.130 -13.700 343 HG2 PRO 44 2HG PRO 44 -5.015 7.126 -14.071 344 HG3 PRO 44 3HG PRO 44 -3.832 7.986 -13.029 345 HD2 PRO 44 2HD PRO 44 -6.161 7.004 -12.058 346 HD3 PRO 44 3HD PRO 44 -5.488 8.556 -11.468 347 H GLU 45 H GLU 45 -7.913 7.124 -14.299 348 HA GLU 45 HA GLU 45 -8.293 7.161 -17.262 349 HB2 GLU 45 2HB GLU 45 -8.588 4.935 -15.209 350 HB3 GLU 45 3HB GLU 45 -8.872 4.772 -16.940 351 HG2 GLU 45 2HG GLU 45 -6.552 5.239 -17.459 352 HG3 GLU 45 3HG GLU 45 -6.190 5.668 -15.789 353 H LYS 46 H LYS 46 -9.971 7.707 -14.313 354 HA LYS 46 HA LYS 46 -12.390 8.472 -15.791 355 HB2 LYS 46 2HB LYS 46 -13.900 7.286 -14.137 356 HB3 LYS 46 3HB LYS 46 -13.156 6.336 -15.423 357 HG2 LYS 46 2HG LYS 46 -11.433 5.511 -13.746 358 HG3 LYS 46 3HG LYS 46 -12.311 6.391 -12.491 359 HD2 LYS 46 2HD LYS 46 -12.979 4.098 -12.400 360 HD3 LYS 46 3HD LYS 46 -14.352 5.009 -13.059 361 HE2 LYS 46 2HE LYS 46 -13.674 4.330 -15.361 362 HE3 LYS 46 3HE LYS 46 -12.282 3.470 -14.699 363 HZ1 LYS 46 3HZ LYS 46 -15.129 2.802 -14.137 364 HZ2 LYS 46 1HZ LYS 46 -14.143 1.962 -15.128 365 HZ3 LYS 46 2HZ LYS 46 -13.843 1.998 -13.525 366 HA PRO 47 HA PRO 47 -11.016 11.218 -12.376 367 HB2 PRO 47 2HB PRO 47 -11.568 13.391 -14.364 368 HB3 PRO 47 3HB PRO 47 -10.169 13.179 -13.256 369 HG2 PRO 47 2HG PRO 47 -9.931 12.650 -15.911 370 HG3 PRO 47 3HG PRO 47 -9.143 11.612 -14.682 371 HD2 PRO 47 2HD PRO 47 -11.751 11.139 -16.146 372 HD3 PRO 47 3HD PRO 47 -10.397 10.013 -15.853 373 H GLN 48 H GLN 48 -13.907 11.072 -14.253 374 HA GLN 48 HA GLN 48 -15.564 13.011 -13.049 375 HB2 GLN 48 2HB GLN 48 -16.338 10.294 -14.216 376 HB3 GLN 48 3HB GLN 48 -17.416 11.644 -13.903 377 HG2 GLN 48 2HG GLN 48 -17.066 11.826 -16.174 378 HG3 GLN 48 3HG GLN 48 -15.970 13.033 -15.519 379 HE21 GLN 48 2HE2 GLN 48 -15.258 12.562 -17.960 380 HE22 GLN 48 1HE2 GLN 48 -13.988 11.353 -18.106 381 H LEU 49 H LEU 49 -14.633 9.820 -11.745 382 HA LEU 49 HA LEU 49 -16.692 10.051 -9.631 383 HB2 LEU 49 2HB LEU 49 -15.889 7.892 -8.821 384 HB3 LEU 49 3HB LEU 49 -16.565 7.894 -10.438 385 HG LEU 49 HG LEU 49 -14.399 7.570 -11.449 386 HD11 LEU 49 1HD1 LEU 49 -12.388 7.127 -9.954 387 HD12 LEU 49 2HD1 LEU 49 -12.863 8.820 -10.069 388 HD13 LEU 49 3HD1 LEU 49 -13.306 7.876 -8.633 389 HD21 LEU 49 3HD2 LEU 49 -13.846 5.367 -10.468 390 HD22 LEU 49 1HD2 LEU 49 -14.792 5.766 -9.024 391 HD23 LEU 49 2HD2 LEU 49 -15.598 5.597 -10.600 392 H GLY 50 H GLY 50 -13.616 11.347 -10.024 393 HA2 GLY 50 2HA GLY 50 -12.572 12.823 -8.591 394 HA3 GLY 50 3HA GLY 50 -13.745 12.431 -7.338 395 H MET 51 H MET 51 -11.857 12.590 -5.938 396 HA MET 51 HA MET 51 -9.633 10.919 -6.048 397 HB2 MET 51 2HB MET 51 -10.719 12.067 -3.473 398 HB3 MET 51 3HB MET 51 -9.050 11.728 -3.929 399 HG2 MET 51 2HG MET 51 -9.559 13.512 -5.853 400 HG3 MET 51 3HG MET 51 -10.871 13.986 -4.778 401 HE1 MET 51 3HE MET 51 -6.362 14.561 -4.295 402 HE2 MET 51 1HE MET 51 -7.124 12.983 -4.631 403 HE3 MET 51 2HE MET 51 -7.294 14.309 -5.794 404 H ILE 52 H ILE 52 -9.392 8.808 -5.744 405 HA ILE 52 HA ILE 52 -11.323 7.383 -3.976 406 HB ILE 52 HB ILE 52 -10.858 5.363 -5.385 407 HG12 ILE 52 2HG1 ILE 52 -9.953 7.231 -7.598 408 HG13 ILE 52 3HG1 ILE 52 -8.774 6.483 -6.520 409 HG21 ILE 52 1HG2 ILE 52 -12.484 5.994 -7.131 410 HG22 ILE 52 2HG2 ILE 52 -12.937 6.551 -5.505 411 HG23 ILE 52 3HG2 ILE 52 -12.266 7.700 -6.690 412 HD11 ILE 52 3HD1 ILE 52 -10.772 4.952 -8.222 413 HD12 ILE 52 1HD1 ILE 52 -9.029 5.111 -8.489 414 HD13 ILE 52 2HD1 ILE 52 -9.622 4.243 -7.058 415 H ASP 53 H ASP 53 -10.561 5.478 -3.011 416 HA ASP 53 HA ASP 53 -7.723 5.604 -2.118 417 HB2 ASP 53 2HB ASP 53 -10.073 3.910 -1.174 418 HB3 ASP 53 3HB ASP 53 -8.428 3.775 -0.560 419 H ARG 54 H ARG 54 -6.852 5.046 -4.180 420 HA ARG 54 HA ARG 54 -7.801 2.742 -5.693 421 HB2 ARG 54 2HB ARG 54 -6.735 5.052 -6.413 422 HB3 ARG 54 3HB ARG 54 -5.199 4.201 -6.245 423 HG2 ARG 54 2HG ARG 54 -5.712 2.682 -7.989 424 HG3 ARG 54 3HG ARG 54 -7.449 3.088 -7.944 425 HD2 ARG 54 2HD ARG 54 -6.721 5.510 -8.526 426 HD3 ARG 54 3HD ARG 54 -5.167 4.787 -8.981 427 HE ARG 54 HE ARG 54 -7.833 4.429 -10.298 428 HH11 ARG 54 1HH2 ARG 54 -4.371 3.841 -10.626 429 HH12 ARG 54 2HH2 ARG 54 -4.560 3.551 -12.343 430 HH21 ARG 54 1HH1 ARG 54 -7.904 4.257 -12.376 431 HH22 ARG 54 2HH1 ARG 54 -6.525 3.678 -13.314 432 H TRP 55 H TRP 55 -7.212 0.660 -5.350 433 HA TRP 55 HA TRP 55 -5.140 0.098 -3.380 434 HB2 TRP 55 2HB TRP 55 -7.116 -1.738 -4.746 435 HB3 TRP 55 3HB TRP 55 -5.996 -2.215 -3.479 436 HD1 TRP 55 HD1 TRP 55 -9.305 -0.497 -4.004 437 HE1 TRP 55 HE1 TRP 55 -10.395 0.079 -1.767 438 HE3 TRP 55 HE3 TRP 55 -5.382 -1.582 -0.861 439 HZ2 TRP 55 HZ2 TRP 55 -9.641 0.200 1.006 440 HZ3 TRP 55 HZ3 TRP 55 -5.565 -1.076 1.557 441 HH2 TRP 55 HH2 TRP 55 -7.685 -0.201 2.505 442 H TYR 56 H TYR 56 -3.501 -1.346 -3.509 443 HA TYR 56 HA TYR 56 -2.359 -2.294 -6.061 444 HB2 TYR 56 2HB TYR 56 -1.021 -0.445 -4.032 445 HB3 TYR 56 3HB TYR 56 -0.203 -1.229 -5.377 446 HD1 TYR 56 HD1 TYR 56 -0.665 -0.576 -7.687 447 HD2 TYR 56 HD2 TYR 56 -2.417 1.563 -4.411 448 HE1 TYR 56 HE1 TYR 56 -1.267 1.290 -9.241 449 HE2 TYR 56 HE2 TYR 56 -3.057 3.408 -5.955 450 HH TYR 56 HH TYR 56 -2.273 3.299 -9.455 451 H HIS 57 H HIS 57 -0.818 -3.938 -5.784 452 HA HIS 57 HA HIS 57 -0.889 -5.603 -3.385 453 HB2 HIS 57 2HB HIS 57 0.899 -5.739 -5.811 454 HB3 HIS 57 3HB HIS 57 0.994 -6.874 -4.500 455 HD2 HIS 57 HD2 HIS 57 -1.445 -8.235 -3.919 456 HE1 HIS 57 HE1 HIS 57 -2.617 -8.295 -8.006 457 HE2 HIS 57 HE2 HIS 57 -2.987 -9.357 -5.748 458 HA PRO 58 HA PRO 58 2.749 -4.053 -1.137 459 HB2 PRO 58 2HB PRO 58 3.581 -6.950 -1.034 460 HB3 PRO 58 3HB PRO 58 3.563 -5.733 0.284 461 HG2 PRO 58 2HG PRO 58 1.563 -7.533 0.127 462 HG3 PRO 58 3HG PRO 58 1.165 -5.803 0.404 463 HD2 PRO 58 2HD PRO 58 1.099 -7.347 -2.202 464 HD3 PRO 58 3HD PRO 58 -0.134 -6.254 -1.505 465 H GLY 59 H GLY 59 3.359 -6.209 -3.873 466 HA2 GLY 59 2HA GLY 59 6.149 -5.278 -4.215 467 HA3 GLY 59 3HA GLY 59 5.229 -6.319 -5.306 468 H CYS 60 HN CYS 60 2.995 -4.845 -5.907 469 HA CYS 60 HA CYS 60 4.015 -3.229 -7.926 470 HB2 CYS 60 2HB CYS 60 1.154 -3.371 -6.919 471 HB3 CYS 60 3HB CYS 60 1.684 -2.888 -8.535 472 H PHE 61 H PHE 61 2.450 -2.203 -4.848 473 HA PHE 61 HA PHE 61 2.261 0.540 -5.592 474 HB2 PHE 61 2HB PHE 61 1.444 0.895 -3.562 475 HB3 PHE 61 3HB PHE 61 1.361 -0.857 -3.489 476 HD1 PHE 61 HD1 PHE 61 3.248 -2.118 -2.393 477 HD2 PHE 61 HD2 PHE 61 2.915 2.146 -2.162 478 HE1 PHE 61 HE1 PHE 61 4.643 -2.144 -0.321 479 HE2 PHE 61 HE2 PHE 61 4.310 2.149 -0.076 480 HZ PHE 61 HZ PHE 61 5.157 -0.000 0.849 481 H VAL 62 H VAL 62 5.004 -1.286 -4.238 482 HA VAL 62 HA VAL 62 6.825 0.965 -4.135 483 HB VAL 62 HB VAL 62 7.545 -1.967 -4.451 484 HG11 VAL 62 1HG1 VAL 62 9.672 -1.272 -3.387 485 HG12 VAL 62 2HG1 VAL 62 9.443 -0.463 -4.930 486 HG13 VAL 62 3HG1 VAL 62 9.141 0.420 -3.416 487 HG21 VAL 62 3HG2 VAL 62 7.072 -0.274 -1.959 488 HG22 VAL 62 1HG2 VAL 62 6.201 -1.738 -2.460 489 HG23 VAL 62 2HG2 VAL 62 7.875 -1.859 -1.956 490 H LYS 63 H LYS 63 6.051 -1.392 -6.715 491 HA LYS 63 HA LYS 63 8.022 -0.565 -8.587 492 HB2 LYS 63 2HB LYS 63 6.715 -2.645 -8.764 493 HB3 LYS 63 3HB LYS 63 5.239 -1.715 -9.023 494 HG2 LYS 63 2HG LYS 63 6.120 -0.846 -11.164 495 HG3 LYS 63 3HG LYS 63 7.610 -1.761 -10.909 496 HD2 LYS 63 2HD LYS 63 6.124 -2.935 -12.455 497 HD3 LYS 63 3HD LYS 63 6.368 -3.871 -10.989 498 HE2 LYS 63 2HE LYS 63 4.063 -4.030 -11.722 499 HE3 LYS 63 3HE LYS 63 4.135 -3.240 -10.152 500 HZ1 LYS 63 3HZ LYS 63 3.647 -1.145 -11.173 501 HZ2 LYS 63 1HZ LYS 63 3.937 -1.714 -12.696 502 HZ3 LYS 63 2HZ LYS 63 2.623 -2.196 -11.859 503 H ASN 64 H ASN 64 4.789 0.825 -7.988 504 HA ASN 64 HA ASN 64 5.406 3.018 -9.903 505 HB2 ASN 64 2HB ASN 64 2.743 3.332 -9.487 506 HB3 ASN 64 3HB ASN 64 3.505 2.527 -10.835 507 HD21 ASN 64 1HD2 ASN 64 1.840 1.918 -7.712 508 HD22 ASN 64 2HD2 ASN 64 1.371 0.301 -8.222 509 H ARG 65 H ARG 65 6.179 2.668 -6.868 510 HA ARG 65 HA ARG 65 4.993 4.614 -5.328 511 HB2 ARG 65 2HB ARG 65 7.006 4.647 -4.039 512 HB3 ARG 65 3HB ARG 65 6.861 3.040 -4.709 513 HG2 ARG 65 2HG ARG 65 8.441 3.809 -6.592 514 HG3 ARG 65 3HG ARG 65 8.698 5.288 -5.648 515 HD2 ARG 65 2HD ARG 65 9.582 4.031 -3.797 516 HD3 ARG 65 3HD ARG 65 9.224 2.489 -4.591 517 HE ARG 65 HE ARG 65 11.491 4.255 -5.071 518 HH11 ARG 65 1HH2 ARG 65 9.575 1.741 -6.640 519 HH12 ARG 65 2HH2 ARG 65 10.892 1.318 -7.704 520 HH21 ARG 65 1HH1 ARG 65 13.087 3.649 -6.476 521 HH22 ARG 65 2HH1 ARG 65 12.806 2.371 -7.619 522 H GLU 66 H GLU 66 7.292 5.188 -7.917 523 HA GLU 66 HA GLU 66 7.574 8.024 -7.371 524 HB2 GLU 66 2HB GLU 66 9.019 8.009 -9.357 525 HB3 GLU 66 3HB GLU 66 9.456 6.789 -8.153 526 HG2 GLU 66 2HG GLU 66 8.433 5.014 -9.487 527 HG3 GLU 66 3HG GLU 66 7.849 6.188 -10.672 528 H GLU 67 H GLU 67 5.398 6.118 -9.297 529 HA GLU 67 HA GLU 67 4.279 8.414 -10.761 530 HB2 GLU 67 2HB GLU 67 4.309 6.031 -11.649 531 HB3 GLU 67 3HB GLU 67 3.142 5.623 -10.394 532 HG2 GLU 67 2HG GLU 67 1.920 5.983 -12.396 533 HG3 GLU 67 3HG GLU 67 1.576 7.350 -11.350 534 H LEU 68 H LEU 68 3.532 6.361 -7.916 535 HA LEU 68 HA LEU 68 1.199 7.832 -7.067 536 HB2 LEU 68 2HB LEU 68 3.113 6.003 -5.571 537 HB3 LEU 68 3HB LEU 68 1.580 6.570 -4.923 538 HG LEU 68 HG LEU 68 1.870 4.827 -7.414 539 HD11 LEU 68 1HD1 LEU 68 1.025 4.122 -4.577 540 HD12 LEU 68 2HD1 LEU 68 0.955 3.034 -5.974 541 HD13 LEU 68 3HD1 LEU 68 2.525 3.617 -5.385 542 HD21 LEU 68 3HD2 LEU 68 -0.502 4.483 -7.272 543 HD22 LEU 68 1HD2 LEU 68 -0.631 5.505 -5.835 544 HD23 LEU 68 2HD2 LEU 68 -0.209 6.210 -7.418 545 H GLY 69 H GLY 69 4.620 8.518 -6.621 546 HA2 GLY 69 2HA GLY 69 5.332 10.753 -6.274 547 HA3 GLY 69 3HA GLY 69 3.819 11.145 -5.464 548 H PHE 70 H PHE 70 5.564 8.256 -4.499 549 HA PHE 70 HA PHE 70 6.002 9.069 -1.772 550 HB2 PHE 70 2HB PHE 70 7.018 6.826 -3.530 551 HB3 PHE 70 3HB PHE 70 7.676 7.067 -1.935 552 HD1 PHE 70 HD1 PHE 70 4.462 6.294 -3.710 553 HD2 PHE 70 HD2 PHE 70 6.587 6.405 0.019 554 HE1 PHE 70 HE1 PHE 70 2.693 4.898 -2.664 555 HE2 PHE 70 HE2 PHE 70 4.843 4.995 1.077 556 HZ PHE 70 HZ PHE 70 2.881 4.242 -0.274 557 H ARG 71 H ARG 71 7.750 9.829 -0.732 558 HA ARG 71 HA ARG 71 10.359 10.129 -2.110 559 HB2 ARG 71 2HB ARG 71 9.023 12.211 -0.335 560 HB3 ARG 71 3HB ARG 71 10.730 12.234 -0.753 561 HG2 ARG 71 2HG ARG 71 10.286 12.591 -3.083 562 HG3 ARG 71 3HG ARG 71 8.557 12.267 -2.886 563 HD2 ARG 71 2HD ARG 71 8.999 14.688 -3.086 564 HD3 ARG 71 3HD ARG 71 8.224 14.236 -1.573 565 HE ARG 71 HE ARG 71 10.118 14.845 -0.345 566 HH11 ARG 71 1HH2 ARG 71 11.029 15.108 -3.736 567 HH12 ARG 71 2HH2 ARG 71 12.514 15.922 -3.320 568 HH21 ARG 71 1HH1 ARG 71 11.865 15.776 0.083 569 HH22 ARG 71 2HH1 ARG 71 13.007 16.323 -1.152 570 HA PRO 72 HA PRO 72 11.971 7.845 1.238 571 HB2 PRO 72 2HB PRO 72 14.145 9.925 1.517 572 HB3 PRO 72 3HB PRO 72 14.294 8.140 1.425 573 HG2 PRO 72 2HG PRO 72 14.798 9.636 -0.762 574 HG3 PRO 72 3HG PRO 72 13.799 8.152 -0.921 575 HD2 PRO 72 2HD PRO 72 12.865 11.031 -0.717 576 HD3 PRO 72 3HD PRO 72 12.344 9.743 -1.841 577 H GLU 73 H GLU 73 11.579 11.301 1.946 578 HA GLU 73 HA GLU 73 11.809 11.150 4.795 579 HB2 GLU 73 2HB GLU 73 10.856 13.360 4.797 580 HB3 GLU 73 3HB GLU 73 12.020 13.208 3.482 581 HG2 GLU 73 2HG GLU 73 10.030 12.776 1.920 582 HG3 GLU 73 3HG GLU 73 8.984 13.224 3.269 583 H TYR 74 H TYR 74 9.281 10.007 2.760 584 HA TYR 74 HA TYR 74 7.685 9.230 5.072 585 HB2 TYR 74 2HB TYR 74 5.551 10.183 4.105 586 HB3 TYR 74 3HB TYR 74 6.653 11.240 4.939 587 HD1 TYR 74 HD2 TYR 74 6.862 10.252 1.280 588 HD2 TYR 74 HD1 TYR 74 6.009 13.320 4.193 589 HE1 TYR 74 HE2 TYR 74 6.606 11.925 -0.544 590 HE2 TYR 74 HE1 TYR 74 5.780 14.986 2.369 591 HH TYR 74 HH TYR 74 5.804 15.353 0.113 592 H SER 75 H SER 75 8.983 7.442 3.880 593 HA SER 75 HA SER 75 7.649 6.052 1.737 594 HB2 SER 75 2HB SER 75 9.641 5.032 3.737 595 HB3 SER 75 3HB SER 75 9.269 4.342 2.150 596 HG SER 75 HG SER 75 11.184 5.688 2.245 597 H ALA 76 H ALA 76 7.787 3.327 2.942 598 HA ALA 76 HA ALA 76 5.075 2.981 3.448 599 HB1 ALA 76 1HB ALA 76 5.721 0.694 4.080 600 HB2 ALA 76 2HB ALA 76 6.642 1.240 2.664 601 HB3 ALA 76 3HB ALA 76 7.411 1.199 4.269 602 H SER 77 H SER 77 7.447 3.959 5.835 603 HA SER 77 HA SER 77 5.945 3.177 8.189 604 HB2 SER 77 2HB SER 77 7.621 4.632 9.340 605 HB3 SER 77 3HB SER 77 8.343 3.378 8.317 606 HG SER 77 HG SER 77 9.275 5.508 8.056 607 H GLN 78 H GLN 78 5.218 5.472 5.862 608 HA GLN 78 HA GLN 78 3.579 7.004 7.764 609 HB2 GLN 78 2HB GLN 78 4.932 7.931 5.223 610 HB3 GLN 78 3HB GLN 78 3.695 8.864 6.054 611 HG2 GLN 78 2HG GLN 78 6.322 8.020 7.354 612 HG3 GLN 78 3HG GLN 78 6.012 9.583 6.619 613 HE21 GLN 78 2HE2 GLN 78 5.151 7.529 9.430 614 HE22 GLN 78 1HE2 GLN 78 4.539 8.910 10.357 615 H LEU 79 H LEU 79 3.022 4.433 6.280 616 HA LEU 79 HA LEU 79 0.548 5.169 4.815 617 HB2 LEU 79 2HB LEU 79 1.825 2.520 5.591 618 HB3 LEU 79 3HB LEU 79 0.260 2.643 4.806 619 HG LEU 79 HG LEU 79 2.679 3.864 3.458 620 HD11 LEU 79 1HD1 LEU 79 1.859 0.942 3.172 621 HD12 LEU 79 2HD1 LEU 79 3.140 1.788 2.289 622 HD13 LEU 79 3HD1 LEU 79 3.297 1.495 4.031 623 HD21 LEU 79 3HD2 LEU 79 1.434 3.495 1.461 624 HD22 LEU 79 1HD2 LEU 79 0.275 2.429 2.280 625 HD23 LEU 79 2HD2 LEU 79 0.293 4.156 2.642 626 H LYS 80 H LYS 80 -1.484 5.103 5.711 627 HA LYS 80 HA LYS 80 -2.007 5.130 8.472 628 HB2 LYS 80 2HB LYS 80 -3.971 3.987 6.453 629 HB3 LYS 80 3HB LYS 80 -4.338 4.699 8.017 630 HG2 LYS 80 2HG LYS 80 -3.601 6.912 7.189 631 HG3 LYS 80 3HG LYS 80 -3.238 6.172 5.614 632 HD2 LYS 80 2HD LYS 80 -5.772 5.365 5.751 633 HD3 LYS 80 3HD LYS 80 -5.918 6.683 6.926 634 HE2 LYS 80 2HE LYS 80 -4.975 8.259 5.231 635 HE3 LYS 80 3HE LYS 80 -4.816 6.914 4.088 636 HZ1 LYS 80 3HZ LYS 80 -6.864 8.187 3.694 637 HZ2 LYS 80 1HZ LYS 80 -7.245 6.666 4.139 638 HZ3 LYS 80 2HZ LYS 80 -7.397 7.894 5.208 639 H GLY 81 H GLY 81 -2.417 3.626 10.014 640 HA2 GLY 81 2HA GLY 81 -2.701 1.605 11.088 641 HA3 GLY 81 3HA GLY 81 -3.393 1.010 9.577 642 H PHE 82 H PHE 82 -0.117 1.942 9.093 643 HA PHE 82 HA PHE 82 0.755 -0.611 8.340 644 HB2 PHE 82 2HB PHE 82 1.913 1.213 7.460 645 HB3 PHE 82 3HB PHE 82 2.063 2.021 9.009 646 HD1 PHE 82 HD2 PHE 82 3.802 1.494 10.603 647 HD2 PHE 82 HD1 PHE 82 3.643 -0.471 6.762 648 HE1 PHE 82 HE2 PHE 82 6.136 0.700 10.909 649 HE2 PHE 82 HE1 PHE 82 5.977 -1.237 7.069 650 HZ PHE 82 HZ PHE 82 7.216 -0.681 9.141 651 H SER 83 H SER 83 0.994 1.047 11.487 652 HA SER 83 HA SER 83 2.821 -0.726 12.733 653 HB2 SER 83 2HB SER 83 2.135 0.412 14.794 654 HB3 SER 83 3HB SER 83 2.340 1.564 13.459 655 HG SER 83 HG SER 83 -0.112 0.510 14.457 656 H LEU 84 H LEU 84 -0.583 -1.166 12.116 657 HA LEU 84 HA LEU 84 -0.971 -3.185 14.233 658 HB2 LEU 84 2HB LEU 84 -2.732 -1.805 12.195 659 HB3 LEU 84 3HB LEU 84 -3.258 -3.321 12.870 660 HG LEU 84 HG LEU 84 -4.256 -1.407 13.986 661 HD11 LEU 84 1HD1 LEU 84 -3.960 -2.144 16.276 662 HD12 LEU 84 2HD1 LEU 84 -3.972 -3.549 15.197 663 HD13 LEU 84 3HD1 LEU 84 -2.437 -2.959 15.873 664 HD21 LEU 84 3HD2 LEU 84 -1.523 -0.789 15.150 665 HD22 LEU 84 1HD2 LEU 84 -2.325 0.163 13.865 666 HD23 LEU 84 2HD2 LEU 84 -3.053 0.045 15.477 667 H LEU 85 H LEU 85 0.298 -3.261 11.060 668 HA LEU 85 HA LEU 85 -0.554 -5.960 10.334 669 HB2 LEU 85 2HB LEU 85 1.651 -4.088 9.443 670 HB3 LEU 85 3HB LEU 85 1.636 -5.755 8.920 671 HG LEU 85 HG LEU 85 -0.458 -5.500 7.765 672 HD11 LEU 85 1HD1 LEU 85 -0.484 -2.626 8.756 673 HD12 LEU 85 2HD1 LEU 85 -1.513 -3.259 7.457 674 HD13 LEU 85 3HD1 LEU 85 -1.694 -3.882 9.101 675 HD21 LEU 85 3HD2 LEU 85 1.428 -3.177 7.175 676 HD22 LEU 85 1HD2 LEU 85 1.652 -4.853 6.635 677 HD23 LEU 85 2HD2 LEU 85 0.278 -3.910 6.037 678 H ALA 86 H ALA 86 0.956 -7.829 10.240 679 HA ALA 86 HA ALA 86 2.294 -8.431 12.689 680 HB1 ALA 86 1HB ALA 86 3.103 -10.423 11.426 681 HB2 ALA 86 2HB ALA 86 1.362 -10.165 11.235 682 HB3 ALA 86 3HB ALA 86 2.472 -9.708 9.925 683 H THR 87 H THR 87 4.505 -8.582 13.198 684 HA THR 87 HA THR 87 6.199 -6.512 12.435 685 HB THR 87 HB THR 87 7.118 -9.235 13.407 686 HG1 THR 87 1HG THR 87 6.701 -8.417 15.469 687 HG21 THR 87 1HG2 THR 87 8.822 -7.901 14.648 688 HG22 THR 87 2HG2 THR 87 8.980 -7.685 12.901 689 HG23 THR 87 3HG2 THR 87 8.210 -6.417 13.880 690 H GLU 88 H GLU 88 6.122 -9.831 11.060 691 HA GLU 88 HA GLU 88 8.410 -9.481 9.370 692 HB2 GLU 88 2HB GLU 88 7.691 -11.497 8.258 693 HB3 GLU 88 3HB GLU 88 7.555 -11.668 10.006 694 HG2 GLU 88 2HG GLU 88 5.079 -11.222 9.812 695 HG3 GLU 88 3HG GLU 88 5.259 -11.182 8.057 696 H ASP 89 H ASP 89 5.013 -8.540 8.871 697 HA ASP 89 HA ASP 89 5.465 -7.872 6.032 698 HB2 ASP 89 2HB ASP 89 3.135 -7.436 7.928 699 HB3 ASP 89 3HB ASP 89 3.188 -6.809 6.285 700 H LYS 90 H LYS 90 5.259 -6.128 9.148 701 HA LYS 90 HA LYS 90 5.599 -3.467 8.118 702 HB2 LYS 90 2HB LYS 90 6.291 -4.762 10.787 703 HB3 LYS 90 3HB LYS 90 6.516 -3.032 10.477 704 HG2 LYS 90 2HG LYS 90 4.222 -2.639 10.135 705 HG3 LYS 90 3HG LYS 90 3.849 -4.353 9.945 706 HD2 LYS 90 2HD LYS 90 3.019 -3.577 12.054 707 HD3 LYS 90 3HD LYS 90 4.285 -4.789 12.296 708 HE2 LYS 90 2HE LYS 90 5.899 -2.983 12.835 709 HE3 LYS 90 3HE LYS 90 4.637 -1.776 12.545 710 HZ1 LYS 90 3HZ LYS 90 3.345 -2.826 14.368 711 HZ2 LYS 90 1HZ LYS 90 4.560 -3.879 14.652 712 HZ3 LYS 90 2HZ LYS 90 4.798 -2.288 14.918 713 H GLU 91 H GLU 91 8.022 -5.911 9.067 714 HA GLU 91 HA GLU 91 10.314 -4.304 8.312 715 HB2 GLU 91 2HB GLU 91 9.905 -7.304 8.598 716 HB3 GLU 91 3HB GLU 91 11.453 -6.574 8.182 717 HG2 GLU 91 2HG GLU 91 9.893 -5.970 10.729 718 HG3 GLU 91 3HG GLU 91 11.219 -7.120 10.603 719 H ALA 92 H ALA 92 8.465 -6.836 6.470 720 HA ALA 92 HA ALA 92 10.085 -6.665 4.163 721 HB1 ALA 92 1HB ALA 92 8.224 -7.810 3.044 722 HB2 ALA 92 2HB ALA 92 8.570 -8.510 4.638 723 HB3 ALA 92 3HB ALA 92 7.162 -7.437 4.423 724 H LEU 93 H LEU 93 7.227 -4.649 4.980 725 HA LEU 93 HA LEU 93 7.084 -3.313 2.420 726 HB2 LEU 93 2HB LEU 93 6.183 -2.572 5.225 727 HB3 LEU 93 3HB LEU 93 5.860 -1.561 3.820 728 HG LEU 93 HG LEU 93 4.884 -4.438 4.054 729 HD11 LEU 93 1HD1 LEU 93 3.428 -1.808 4.568 730 HD12 LEU 93 2HD1 LEU 93 2.697 -3.427 4.569 731 HD13 LEU 93 3HD1 LEU 93 3.893 -3.006 5.801 732 HD21 LEU 93 3HD2 LEU 93 4.104 -2.181 2.168 733 HD22 LEU 93 1HD2 LEU 93 5.021 -3.642 1.727 734 HD23 LEU 93 2HD2 LEU 93 3.342 -3.784 2.254 735 H LYS 94 H LYS 94 8.775 -2.454 5.486 736 HA LYS 94 HA LYS 94 10.042 -0.070 4.431 737 HB2 LYS 94 2HB LYS 94 10.790 -1.944 6.703 738 HB3 LYS 94 3HB LYS 94 11.646 -0.439 6.349 739 HG2 LYS 94 2HG LYS 94 9.580 0.868 6.712 740 HG3 LYS 94 3HG LYS 94 8.697 -0.607 7.108 741 HD2 LYS 94 2HD LYS 94 11.090 0.524 8.630 742 HD3 LYS 94 3HD LYS 94 9.399 0.601 9.148 743 HE2 LYS 94 2HE LYS 94 9.305 -1.878 9.263 744 HE3 LYS 94 3HE LYS 94 10.973 -1.976 8.697 745 HZ1 LYS 94 3HZ LYS 94 11.644 -0.764 10.720 746 HZ2 LYS 94 1HZ LYS 94 10.108 -0.851 11.293 747 HZ3 LYS 94 2HZ LYS 94 10.978 -2.225 11.010 748 H LYS 95 H LYS 95 11.065 -3.508 4.512 749 HA LYS 95 HA LYS 95 13.706 -3.050 3.594 750 HB2 LYS 95 2HB LYS 95 11.881 -5.461 3.489 751 HB3 LYS 95 3HB LYS 95 13.481 -5.516 2.744 752 HG2 LYS 95 2HG LYS 95 14.594 -4.990 4.818 753 HG3 LYS 95 3HG LYS 95 13.065 -4.708 5.652 754 HD2 LYS 95 2HD LYS 95 12.436 -7.089 5.329 755 HD3 LYS 95 3HD LYS 95 13.972 -7.373 4.476 756 HE2 LYS 95 2HE LYS 95 15.213 -6.645 6.519 757 HE3 LYS 95 3HE LYS 95 13.678 -6.418 7.364 758 HZ1 LYS 95 3HZ LYS 95 14.650 -8.583 7.868 759 HZ2 LYS 95 1HZ LYS 95 13.250 -8.813 7.060 760 HZ3 LYS 95 2HZ LYS 95 14.681 -9.007 6.294 761 H GLN 96 H GLN 96 10.782 -2.992 1.783 762 HA GLN 96 HA GLN 96 12.202 -2.903 -0.838 763 HB2 GLN 96 2HB GLN 96 9.257 -3.030 -0.097 764 HB3 GLN 96 3HB GLN 96 9.886 -2.940 -1.749 765 HG2 GLN 96 2HG GLN 96 10.969 -5.081 -1.577 766 HG3 GLN 96 3HG GLN 96 10.638 -5.195 0.153 767 HE21 GLN 96 2HE2 GLN 96 8.395 -5.426 0.869 768 HE22 GLN 96 1HE2 GLN 96 7.214 -6.138 -0.240 769 H LEU 97 H LEU 97 10.280 -0.850 1.376 770 HA LEU 97 HA LEU 97 11.193 1.574 -0.071 771 HB2 LEU 97 2HB LEU 97 9.083 0.828 -1.039 772 HB3 LEU 97 3HB LEU 97 8.299 0.836 0.532 773 HG LEU 97 HG LEU 97 8.247 3.209 0.617 774 HD11 LEU 97 1HD1 LEU 97 10.193 3.212 -1.728 775 HD12 LEU 97 2HD1 LEU 97 9.328 4.653 -1.133 776 HD13 LEU 97 3HD1 LEU 97 10.492 3.835 -0.091 777 HD21 LEU 97 3HD2 LEU 97 7.808 2.398 -2.283 778 HD22 LEU 97 1HD2 LEU 97 6.658 2.167 -0.952 779 HD23 LEU 97 2HD2 LEU 97 7.097 3.802 -1.462 780 HA PRO 98 HA PRO 98 11.407 1.993 4.510 781 HB2 PRO 98 2HB PRO 98 14.108 2.502 4.791 782 HB3 PRO 98 3HB PRO 98 13.379 0.881 4.706 783 HG2 PRO 98 2HG PRO 98 14.967 2.308 2.642 784 HG3 PRO 98 3HG PRO 98 14.613 0.559 2.805 785 HD2 PRO 98 2HD PRO 98 13.339 2.497 1.070 786 HD3 PRO 98 3HD PRO 98 13.028 0.747 1.217 787 H GLY 99 H GLY 99 11.442 3.787 5.889 788 HA2 GLY 99 2HA GLY 99 11.452 6.422 4.592 789 HA3 GLY 99 3HA GLY 99 10.658 5.987 6.095 790 H VAL 100 H VAL 100 12.586 8.019 5.240 791 HA VAL 100 HA VAL 100 15.059 7.717 6.727 792 HB VAL 100 HB VAL 100 13.699 10.199 5.607 793 HG11 VAL 100 1HG1 VAL 100 16.491 9.877 6.789 794 HG12 VAL 100 2HG1 VAL 100 15.949 11.274 5.830 795 HG13 VAL 100 3HG1 VAL 100 15.188 10.936 7.384 796 HG21 VAL 100 3HG2 VAL 100 15.382 10.041 3.835 797 HG22 VAL 100 1HG2 VAL 100 16.082 8.589 4.592 798 HG23 VAL 100 2HG2 VAL 100 14.447 8.545 3.904 799 H LYS 101 H LYS 101 15.533 7.994 8.688 800 HA LYS 101 HA LYS 101 13.528 8.945 10.633 801 HB2 LYS 101 2HB LYS 101 15.011 6.715 10.647 802 HB3 LYS 101 3HB LYS 101 16.202 7.784 11.413 803 HG2 LYS 101 2HG LYS 101 14.327 8.477 13.012 804 HG3 LYS 101 3HG LYS 101 13.321 7.255 12.226 805 HD2 LYS 101 2HD LYS 101 14.192 6.410 14.332 806 HD3 LYS 101 3HD LYS 101 14.882 5.476 12.997 807 HE2 LYS 101 2HE LYS 101 17.008 6.566 13.190 808 HE3 LYS 101 3HE LYS 101 16.338 7.870 14.182 809 HZ1 LYS 101 3HZ LYS 101 16.514 5.053 15.097 810 HZ2 LYS 101 1HZ LYS 101 17.574 6.230 15.508 811 HZ3 LYS 101 2HZ LYS 101 16.012 6.354 15.975 812 H SER 102 H SER 102 16.447 10.135 9.233 813 HA SER 102 HA SER 102 17.596 11.667 11.228 814 HB2 SER 102 2HB SER 102 17.490 12.376 8.274 815 HB3 SER 102 3HB SER 102 18.745 12.829 9.444 816 HG SER 102 HG SER 102 19.379 11.014 8.205 817 H GLU 103 H GLU 103 14.602 12.407 9.714 818 HA GLU 103 HA GLU 103 14.362 15.230 10.213 819 HB2 GLU 103 2HB GLU 103 12.892 13.852 8.784 820 HB3 GLU 103 3HB GLU 103 12.364 12.931 10.197 821 HG2 GLU 103 2HG GLU 103 11.247 14.916 11.114 822 HG3 GLU 103 3HG GLU 103 11.903 15.916 9.805 823 H GLY 104 H GLY 104 14.548 12.518 12.387 824 HA2 GLY 104 2HA GLY 104 14.727 12.643 14.743 825 HA3 GLY 104 3HA GLY 104 13.858 14.178 14.766 826 H LYS 105 H LYS 105 12.901 11.133 13.120 827 HA LYS 105 HA LYS 105 10.174 11.235 14.133 828 HB2 LYS 105 2HB LYS 105 11.749 9.076 12.662 829 HB3 LYS 105 3HB LYS 105 10.069 8.888 13.163 830 HG2 LYS 105 2HG LYS 105 9.428 10.865 11.793 831 HG3 LYS 105 3HG LYS 105 11.104 10.987 11.212 832 HD2 LYS 105 2HD LYS 105 10.958 8.728 10.231 833 HD3 LYS 105 3HD LYS 105 9.365 8.490 10.944 834 HE2 LYS 105 2HE LYS 105 9.090 8.919 8.614 835 HE3 LYS 105 3HE LYS 105 8.415 10.274 9.523 836 HZ1 LYS 105 3HZ LYS 105 10.230 11.629 8.905 837 HZ2 LYS 105 1HZ LYS 105 11.153 10.343 8.383 838 HZ3 LYS 105 2HZ LYS 105 9.836 10.847 7.537 839 H ARG 106 H ARG 106 13.006 9.279 14.960 840 HA ARG 106 HA ARG 106 12.124 9.107 17.729 841 HB2 ARG 106 2HB ARG 106 11.026 7.106 16.591 842 HB3 ARG 106 3HB ARG 106 12.625 6.512 16.196 843 HG2 ARG 106 2HG ARG 106 12.018 5.305 18.098 844 HG3 ARG 106 3HG ARG 106 13.098 6.536 18.753 845 HD2 ARG 106 2HD ARG 106 11.100 7.869 19.462 846 HD3 ARG 106 3HD ARG 106 10.048 6.661 18.742 847 HE ARG 106 HE ARG 106 10.619 5.079 20.424 848 HH11 ARG 106 1HH2 ARG 106 12.146 8.188 21.153 849 HH12 ARG 106 2HH2 ARG 106 12.215 7.796 22.861 850 HH21 ARG 106 1HH1 ARG 106 10.969 4.658 22.619 851 HH22 ARG 106 2HH1 ARG 106 11.787 5.880 23.584 852 H LYS 107 H LYS 107 13.929 10.273 18.297 853 HA LYS 107 HA LYS 107 16.671 9.489 17.529 854 HB2 LYS 107 2HB LYS 107 15.745 11.385 19.713 855 HB3 LYS 107 3HB LYS 107 17.348 11.307 18.986 856 HG2 LYS 107 2HG LYS 107 16.386 12.061 16.806 857 HG3 LYS 107 3HG LYS 107 14.803 12.214 17.558 858 HD2 LYS 107 2HD LYS 107 17.301 13.827 18.132 859 HD3 LYS 107 3HD LYS 107 15.777 14.402 17.468 860 HE2 LYS 107 2HE LYS 107 16.296 13.451 20.316 861 HE3 LYS 107 3HE LYS 107 16.085 15.119 19.805 862 HZ1 LYS 107 3HZ LYS 107 14.058 14.092 20.789 863 HZ2 LYS 107 1HZ LYS 107 13.788 14.644 19.262 864 HZ3 LYS 107 2HZ LYS 107 13.962 13.040 19.564 865 H GLY 108 H GLY 108 14.394 8.578 19.929 866 HA2 GLY 108 2HA GLY 108 14.573 7.070 21.723 867 HA3 GLY 108 3HA GLY 108 16.344 7.122 21.650 868 H ASP 109 H ASP 109 14.338 9.988 21.472 869 HA ASP 109 HA ASP 109 14.703 10.834 24.248 870 HB2 ASP 109 2HB ASP 109 16.895 11.393 23.261 871 HB3 ASP 109 3HB ASP 109 16.103 12.273 21.960 872 H GLU 110 H GLU 110 12.449 10.234 23.417 873 HA GLU 110 HA GLU 110 10.969 12.676 22.477 874 HB2 GLU 110 2HB GLU 110 10.463 9.729 21.889 875 HB3 GLU 110 3HB GLU 110 9.276 10.988 21.627 876 HG2 GLU 110 2HG GLU 110 10.279 10.449 19.543 877 HG3 GLU 110 3HG GLU 110 10.705 12.102 19.991 878 H VAL 111 H VAL 111 10.911 9.813 24.497 879 HA VAL 111 HA VAL 111 8.865 10.957 26.347 880 HB VAL 111 HB VAL 111 7.634 8.798 26.341 881 HG11 VAL 111 1HG1 VAL 111 7.699 10.019 23.565 882 HG12 VAL 111 2HG1 VAL 111 6.379 9.113 24.323 883 HG13 VAL 111 3HG1 VAL 111 6.840 10.698 24.966 884 HG21 VAL 111 3HG2 VAL 111 7.919 7.171 24.544 885 HG22 VAL 111 1HG2 VAL 111 9.273 8.091 23.862 886 HG23 VAL 111 2HG2 VAL 111 9.432 7.311 25.450 887 H ASP 112 H ASP 112 11.830 10.160 26.296 888 HA ASP 112 HA ASP 112 11.926 7.685 27.854 889 HB2 ASP 112 2HB ASP 112 14.106 9.129 26.317 890 HB3 ASP 112 3HB ASP 112 14.139 7.468 26.901 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 0.016 14.997 20.116 2 H2 GLY 1 H2 GLY 1 -0.561 13.806 21.083 3 H3 GLY 1 H3 GLY 1 -0.023 15.207 21.742 4 HA2 GLY 1 2HA GLY 1 -2.430 15.157 21.754 5 HA3 GLY 1 3HA GLY 1 -1.797 16.464 20.737 6 H SER 2 H SER 2 -4.371 14.855 20.664 7 HA SER 2 HA SER 2 -4.327 13.020 18.482 8 HB2 SER 2 2HB SER 2 -6.801 13.148 18.684 9 HB3 SER 2 3HB SER 2 -5.976 12.886 20.230 10 HG SER 2 HG SER 2 -7.613 14.508 20.365 11 H LYS 3 H LYS 3 -4.261 16.425 18.312 12 HA LYS 3 HA LYS 3 -5.678 16.915 15.867 13 HB2 LYS 3 2HB LYS 3 -4.937 18.582 17.590 14 HB3 LYS 3 3HB LYS 3 -3.270 18.386 17.032 15 HG2 LYS 3 2HG LYS 3 -3.922 19.216 14.788 16 HG3 LYS 3 3HG LYS 3 -5.602 19.369 15.316 17 HD2 LYS 3 2HD LYS 3 -3.228 20.885 16.493 18 HD3 LYS 3 3HD LYS 3 -4.340 21.517 15.271 19 HE2 LYS 3 2HE LYS 3 -6.243 21.233 16.856 20 HE3 LYS 3 3HE LYS 3 -5.118 20.659 18.094 21 HZ1 LYS 3 3HZ LYS 3 -5.575 23.027 18.353 22 HZ2 LYS 3 1HZ LYS 3 -3.999 22.823 17.987 23 HZ3 LYS 3 2HZ LYS 3 -5.043 23.355 16.847 24 H ALA 4 H ALA 4 -2.559 15.448 16.420 25 HA ALA 4 HA ALA 4 -1.966 15.454 13.487 26 HB1 ALA 4 1HB ALA 4 0.405 15.371 14.105 27 HB2 ALA 4 2HB ALA 4 -0.375 16.812 14.784 28 HB3 ALA 4 3HB ALA 4 -0.023 15.414 15.828 29 H GLU 5 H GLU 5 -0.849 13.610 12.650 30 HA GLU 5 HA GLU 5 -1.097 11.034 14.118 31 HB2 GLU 5 2HB GLU 5 -2.232 11.581 11.340 32 HB3 GLU 5 3HB GLU 5 -2.041 9.981 12.065 33 HG2 GLU 5 2HG GLU 5 -3.547 10.673 13.942 34 HG3 GLU 5 3HG GLU 5 -3.831 12.210 13.118 35 H LYS 6 H LYS 6 0.111 9.277 13.072 36 HA LYS 6 HA LYS 6 2.795 10.080 12.444 37 HB2 LYS 6 2HB LYS 6 2.092 8.029 13.695 38 HB3 LYS 6 3HB LYS 6 1.467 7.344 12.188 39 HG2 LYS 6 2HG LYS 6 3.762 7.444 11.217 40 HG3 LYS 6 3HG LYS 6 4.369 8.114 12.747 41 HD2 LYS 6 2HD LYS 6 3.555 6.041 13.914 42 HD3 LYS 6 3HD LYS 6 3.069 5.375 12.351 43 HE2 LYS 6 2HE LYS 6 5.905 6.124 13.201 44 HE3 LYS 6 3HE LYS 6 5.241 4.489 13.101 45 HZ1 LYS 6 3HZ LYS 6 4.898 4.910 10.673 46 HZ2 LYS 6 1HZ LYS 6 5.684 6.327 10.800 47 HZ3 LYS 6 2HZ LYS 6 6.461 4.917 11.091 48 H THR 7 H THR 7 0.195 8.835 10.374 49 HA THR 7 HA THR 7 1.598 8.375 7.988 50 HB THR 7 HB THR 7 -1.232 9.429 8.224 51 HG1 THR 7 1HG THR 7 -1.859 7.517 8.905 52 HG21 THR 7 1HG2 THR 7 -0.483 7.175 6.386 53 HG22 THR 7 2HG2 THR 7 -1.754 8.417 6.230 54 HG23 THR 7 3HG2 THR 7 -0.095 8.784 5.868 55 H LEU 8 H LEU 8 1.963 9.611 6.080 56 HA LEU 8 HA LEU 8 2.106 12.493 6.318 57 HB2 LEU 8 2HB LEU 8 3.021 12.568 4.272 58 HB3 LEU 8 3HB LEU 8 3.396 10.910 4.698 59 HG LEU 8 HG LEU 8 1.120 11.842 2.868 60 HD11 LEU 8 1HD1 LEU 8 3.699 10.415 2.177 61 HD12 LEU 8 2HD1 LEU 8 2.417 10.906 1.056 62 HD13 LEU 8 3HD1 LEU 8 3.368 12.138 1.897 63 HD21 LEU 8 3HD2 LEU 8 2.064 9.056 3.628 64 HD22 LEU 8 1HD2 LEU 8 0.460 9.739 3.901 65 HD23 LEU 8 2HD2 LEU 8 0.989 9.413 2.256 66 H GLY 9 H GLY 9 -0.655 10.548 5.717 67 HA2 GLY 9 2HA GLY 9 -2.879 11.204 5.577 68 HA3 GLY 9 3HA GLY 9 -2.390 12.878 5.327 69 H ASP 10 H ASP 10 -1.736 9.835 3.436 70 HA ASP 10 HA ASP 10 -3.256 10.834 1.172 71 HB2 ASP 10 2HB ASP 10 -0.679 11.771 1.250 72 HB3 ASP 10 3HB ASP 10 -0.433 10.242 0.395 73 H PHE 11 H PHE 11 -1.161 8.253 2.512 74 HA PHE 11 HA PHE 11 -2.714 6.300 0.930 75 HB2 PHE 11 2HB PHE 11 -0.465 5.063 0.548 76 HB3 PHE 11 3HB PHE 11 -0.992 6.337 -0.496 77 HD1 PHE 11 HD2 PHE 11 1.119 6.170 2.672 78 HD2 PHE 11 HD1 PHE 11 0.625 7.681 -1.341 79 HE1 PHE 11 HE2 PHE 11 3.403 7.116 2.739 80 HE2 PHE 11 HE1 PHE 11 2.885 8.689 -1.233 81 HZ PHE 11 HZ PHE 11 4.285 8.384 0.799 82 H ALA 12 H ALA 12 -2.630 4.129 1.616 83 HA ALA 12 HA ALA 12 -2.498 3.813 4.582 84 HB1 ALA 12 1HB ALA 12 -4.786 2.951 4.511 85 HB2 ALA 12 2HB ALA 12 -4.746 4.580 3.795 86 HB3 ALA 12 3HB ALA 12 -4.838 3.154 2.749 87 H ALA 13 H ALA 13 -2.582 1.641 5.375 88 HA ALA 13 HA ALA 13 -2.078 -0.599 3.491 89 HB1 ALA 13 1HB ALA 13 -0.381 0.120 5.932 90 HB2 ALA 13 2HB ALA 13 -0.100 -1.207 4.771 91 HB3 ALA 13 3HB ALA 13 0.063 0.482 4.257 92 H GLU 14 H GLU 14 -3.050 -2.540 4.150 93 HA GLU 14 HA GLU 14 -3.569 -3.194 6.894 94 HB2 GLU 14 2HB GLU 14 -5.997 -3.370 6.752 95 HB3 GLU 14 3HB GLU 14 -5.495 -1.697 6.625 96 HG2 GLU 14 2HG GLU 14 -5.927 -1.665 4.229 97 HG3 GLU 14 3HG GLU 14 -6.206 -3.411 4.210 98 H TYR 15 H TYR 15 -4.991 -5.382 6.792 99 HA TYR 15 HA TYR 15 -3.921 -7.019 4.570 100 HB2 TYR 15 2HB TYR 15 -5.491 -7.728 7.051 101 HB3 TYR 15 3HB TYR 15 -4.968 -8.879 5.822 102 HD1 TYR 15 HD1 TYR 15 -2.398 -8.601 5.099 103 HD2 TYR 15 HD2 TYR 15 -3.981 -7.272 8.864 104 HE1 TYR 15 HE1 TYR 15 -0.166 -8.992 6.166 105 HE2 TYR 15 HE2 TYR 15 -1.766 -7.678 9.937 106 HH TYR 15 HH TYR 15 1.040 -8.908 8.061 107 H ALA 16 H ALA 16 -5.043 -8.103 3.077 108 HA ALA 16 HA ALA 16 -7.446 -6.966 2.028 109 HB1 ALA 16 1HB ALA 16 -5.952 -9.513 1.428 110 HB2 ALA 16 2HB ALA 16 -7.243 -8.820 0.416 111 HB3 ALA 16 3HB ALA 16 -5.716 -7.937 0.646 112 H LYS 17 H LYS 17 -9.101 -7.066 3.611 113 HA LYS 17 HA LYS 17 -9.777 -9.392 5.108 114 HB2 LYS 17 2HB LYS 17 -11.556 -7.024 4.368 115 HB3 LYS 17 3HB LYS 17 -11.875 -8.214 5.633 116 HG2 LYS 17 2HG LYS 17 -9.685 -7.509 6.732 117 HG3 LYS 17 3HG LYS 17 -9.617 -6.169 5.574 118 HD2 LYS 17 2HD LYS 17 -11.878 -5.400 6.400 119 HD3 LYS 17 3HD LYS 17 -11.855 -6.732 7.560 120 HE2 LYS 17 2HE LYS 17 -11.118 -5.008 8.889 121 HE3 LYS 17 3HE LYS 17 -9.592 -5.735 8.383 122 HZ1 LYS 17 3HZ LYS 17 -9.547 -3.317 8.169 123 HZ2 LYS 17 1HZ LYS 17 -9.432 -3.942 6.666 124 HZ3 LYS 17 2HZ LYS 17 -10.845 -3.311 7.188 125 H SER 18 H SER 18 -10.720 -8.487 1.893 126 HA SER 18 HA SER 18 -11.991 -11.117 1.437 127 HB2 SER 18 2HB SER 18 -13.345 -8.476 0.729 128 HB3 SER 18 3HB SER 18 -13.887 -10.087 0.221 129 HG SER 18 HG SER 18 -15.015 -9.324 2.074 130 H ASN 19 H ASN 19 -12.050 -11.685 -0.823 131 HA ASN 19 HA ASN 19 -9.857 -10.609 -2.399 132 HB2 ASN 19 2HB ASN 19 -10.347 -13.026 -2.131 133 HB3 ASN 19 3HB ASN 19 -11.899 -12.798 -2.947 134 HD21 ASN 19 2HD2 ASN 19 -8.626 -11.506 -3.911 135 HD22 ASN 19 1HD2 ASN 19 -8.598 -12.473 -5.372 136 H ARG 20 H ARG 20 -11.995 -8.715 -1.966 137 HA ARG 20 HA ARG 20 -13.293 -8.374 -4.635 138 HB2 ARG 20 2HB ARG 20 -13.867 -7.034 -1.958 139 HB3 ARG 20 3HB ARG 20 -14.754 -6.746 -3.451 140 HG2 ARG 20 2HG ARG 20 -14.637 -9.398 -1.946 141 HG3 ARG 20 3HG ARG 20 -15.971 -8.246 -1.944 142 HD2 ARG 20 2HD ARG 20 -16.208 -8.582 -4.435 143 HD3 ARG 20 3HD ARG 20 -14.946 -9.810 -4.350 144 HE ARG 20 HE ARG 20 -16.397 -11.311 -3.341 145 HH11 ARG 20 1HH2 ARG 20 -18.063 -8.226 -3.510 146 HH12 ARG 20 2HH2 ARG 20 -19.599 -8.939 -3.102 147 HH21 ARG 20 1HH1 ARG 20 -18.385 -12.141 -2.825 148 HH22 ARG 20 2HH1 ARG 20 -19.770 -11.093 -2.725 149 H SER 21 H SER 21 -10.796 -6.933 -2.675 150 HA SER 21 HA SER 21 -10.604 -4.433 -4.139 151 HB2 SER 21 2HB SER 21 -8.534 -6.013 -2.561 152 HB3 SER 21 3HB SER 21 -8.257 -4.403 -3.255 153 HG SER 21 HG SER 21 -9.956 -3.610 -1.974 154 H THR 22 H THR 22 -9.247 -3.897 -5.862 155 HA THR 22 HA THR 22 -7.812 -6.095 -7.284 156 HB THR 22 HB THR 22 -9.459 -3.957 -8.629 157 HG1 THR 22 1HG THR 22 -10.773 -5.568 -7.760 158 HG21 THR 22 1HG2 THR 22 -7.531 -4.649 -10.025 159 HG22 THR 22 2HG2 THR 22 -8.015 -6.351 -9.834 160 HG23 THR 22 3HG2 THR 22 -9.058 -5.217 -10.710 161 H CYS 23 HN CYS 23 -5.838 -5.599 -7.960 162 HA CYS 23 HA CYS 23 -4.604 -3.203 -6.954 163 HB2 CYS 23 2HB CYS 23 -3.513 -5.336 -6.855 164 HB3 CYS 23 3HB CYS 23 -3.746 -5.582 -8.587 165 H LYS 24 H LYS 24 -4.825 -1.345 -7.929 166 HA LYS 24 HA LYS 24 -5.237 -0.976 -10.804 167 HB2 LYS 24 2HB LYS 24 -4.673 0.965 -8.539 168 HB3 LYS 24 3HB LYS 24 -5.257 1.395 -10.161 169 HG2 LYS 24 2HG LYS 24 -6.751 -0.161 -8.003 170 HG3 LYS 24 3HG LYS 24 -7.116 1.442 -8.610 171 HD2 LYS 24 2HD LYS 24 -7.668 0.462 -10.842 172 HD3 LYS 24 3HD LYS 24 -7.436 -1.161 -10.135 173 HE2 LYS 24 2HE LYS 24 -9.161 -0.708 -8.444 174 HE3 LYS 24 3HE LYS 24 -9.376 0.934 -9.065 175 HZ1 LYS 24 3HZ LYS 24 -11.077 -0.552 -9.936 176 HZ2 LYS 24 1HZ LYS 24 -10.151 -0.027 -11.170 177 HZ3 LYS 24 2HZ LYS 24 -9.968 -1.549 -10.595 178 H GLY 25 H GLY 25 -2.523 -1.654 -8.954 179 HA2 GLY 25 2HA GLY 25 -0.523 -0.259 -10.588 180 HA3 GLY 25 3HA GLY 25 -0.236 -1.487 -9.356 181 H CYS 26 HN CYS 26 -2.003 -3.493 -10.695 182 HA CYS 26 HA CYS 26 -0.636 -3.890 -13.296 183 HB2 CYS 26 2HB CYS 26 0.070 -6.106 -12.862 184 HB3 CYS 26 3HB CYS 26 0.718 -5.066 -11.596 185 H MET 27 H MET 27 -3.600 -3.850 -11.846 186 HA MET 27 HA MET 27 -5.663 -4.413 -12.432 187 HB2 MET 27 2HB MET 27 -4.574 -4.964 -15.203 188 HB3 MET 27 3HB MET 27 -6.270 -4.780 -14.796 189 HG2 MET 27 2HG MET 27 -4.381 -2.526 -14.116 190 HG3 MET 27 3HG MET 27 -4.816 -2.809 -15.787 191 HE1 MET 27 3HE MET 27 -7.520 -3.284 -12.738 192 HE2 MET 27 1HE MET 27 -6.227 -2.178 -12.219 193 HE3 MET 27 2HE MET 27 -7.866 -1.556 -12.530 194 H GLU 28 H GLU 28 -4.593 -6.229 -10.896 195 HA GLU 28 HA GLU 28 -6.074 -8.653 -11.751 196 HB2 GLU 28 2HB GLU 28 -3.276 -8.765 -10.545 197 HB3 GLU 28 3HB GLU 28 -4.401 -10.119 -10.656 198 HG2 GLU 28 2HG GLU 28 -4.469 -9.739 -13.176 199 HG3 GLU 28 3HG GLU 28 -3.125 -8.612 -12.966 200 H LYS 29 H LYS 29 -6.965 -9.862 -9.982 201 HA LYS 29 HA LYS 29 -7.849 -8.033 -7.942 202 HB2 LYS 29 2HB LYS 29 -9.301 -9.772 -7.143 203 HB3 LYS 29 3HB LYS 29 -9.431 -9.566 -8.887 204 HG2 LYS 29 2HG LYS 29 -8.098 -11.605 -9.272 205 HG3 LYS 29 3HG LYS 29 -7.842 -11.787 -7.523 206 HD2 LYS 29 2HD LYS 29 -10.313 -11.947 -7.202 207 HD3 LYS 29 3HD LYS 29 -10.535 -11.894 -8.958 208 HE2 LYS 29 2HE LYS 29 -9.384 -13.981 -9.270 209 HE3 LYS 29 3HE LYS 29 -8.747 -13.962 -7.621 210 HZ1 LYS 29 3HZ LYS 29 -10.647 -15.462 -7.810 211 HZ2 LYS 29 1HZ LYS 29 -10.982 -14.240 -6.772 212 HZ3 LYS 29 2HZ LYS 29 -11.626 -14.242 -8.284 213 H ILE 30 H ILE 30 -7.465 -7.866 -5.852 214 HA ILE 30 HA ILE 30 -4.895 -8.887 -4.914 215 HB ILE 30 HB ILE 30 -6.948 -6.946 -3.868 216 HG12 ILE 30 2HG1 ILE 30 -3.995 -6.574 -4.540 217 HG13 ILE 30 3HG1 ILE 30 -5.252 -6.454 -5.759 218 HG21 ILE 30 1HG2 ILE 30 -4.381 -7.682 -2.418 219 HG22 ILE 30 2HG2 ILE 30 -5.541 -6.410 -1.979 220 HG23 ILE 30 3HG2 ILE 30 -6.027 -8.092 -1.860 221 HD11 ILE 30 3HD1 ILE 30 -6.295 -4.581 -4.572 222 HD12 ILE 30 1HD1 ILE 30 -5.019 -4.651 -3.323 223 HD13 ILE 30 2HD1 ILE 30 -4.610 -4.260 -5.000 224 H GLU 31 H GLU 31 -4.479 -10.542 -3.588 225 HA GLU 31 HA GLU 31 -6.559 -12.490 -3.154 226 HB2 GLU 31 2HB GLU 31 -3.706 -12.578 -2.125 227 HB3 GLU 31 3HB GLU 31 -4.830 -13.922 -2.333 228 HG2 GLU 31 2HG GLU 31 -4.803 -13.353 -4.841 229 HG3 GLU 31 3HG GLU 31 -3.453 -12.264 -4.466 230 H LYS 32 H LYS 32 -7.541 -13.111 -1.305 231 HA LYS 32 HA LYS 32 -7.701 -11.356 0.968 232 HB2 LYS 32 2HB LYS 32 -9.535 -12.842 0.271 233 HB3 LYS 32 3HB LYS 32 -8.563 -14.265 0.684 234 HG2 LYS 32 2HG LYS 32 -8.538 -13.576 3.063 235 HG3 LYS 32 3HG LYS 32 -9.448 -12.105 2.655 236 HD2 LYS 32 2HD LYS 32 -11.348 -13.453 1.925 237 HD3 LYS 32 3HD LYS 32 -10.428 -14.949 2.226 238 HE2 LYS 32 2HE LYS 32 -10.260 -14.387 4.623 239 HE3 LYS 32 3HE LYS 32 -11.117 -12.867 4.349 240 HZ1 LYS 32 3HZ LYS 32 -12.280 -15.566 3.908 241 HZ2 LYS 32 1HZ LYS 32 -12.611 -14.593 5.174 242 HZ3 LYS 32 2HZ LYS 32 -13.069 -14.151 3.674 243 H GLY 33 H GLY 33 -6.868 -11.465 2.996 244 HA2 GLY 33 2HA GLY 33 -5.563 -12.096 4.778 245 HA3 GLY 33 3HA GLY 33 -5.317 -13.663 4.012 246 H GLN 34 H GLN 34 -4.191 -11.083 1.984 247 HA GLN 34 HA GLN 34 -1.536 -10.996 3.303 248 HB2 GLN 34 2HB GLN 34 -0.383 -10.967 1.178 249 HB3 GLN 34 3HB GLN 34 -1.229 -12.472 1.465 250 HG2 GLN 34 2HG GLN 34 -1.476 -11.972 -0.859 251 HG3 GLN 34 3HG GLN 34 -3.044 -11.731 -0.108 252 HE21 GLN 34 2HE2 GLN 34 -4.017 -9.703 -0.454 253 HE22 GLN 34 1HE2 GLN 34 -3.057 -8.242 -0.497 254 H VAL 35 H VAL 35 -0.309 -8.928 2.432 255 HA VAL 35 HA VAL 35 -1.882 -6.771 3.476 256 HB VAL 35 HB VAL 35 0.784 -6.694 2.025 257 HG11 VAL 35 1HG1 VAL 35 -0.140 -4.430 2.060 258 HG12 VAL 35 2HG1 VAL 35 -0.547 -4.587 3.788 259 HG13 VAL 35 3HG1 VAL 35 1.146 -4.552 3.251 260 HG21 VAL 35 3HG2 VAL 35 1.745 -6.568 4.300 261 HG22 VAL 35 1HG2 VAL 35 0.128 -6.719 5.008 262 HG23 VAL 35 2HG2 VAL 35 0.845 -8.066 4.100 263 H ARG 36 H ARG 36 -2.784 -4.939 2.543 264 HA ARG 36 HA ARG 36 -2.585 -4.569 -0.384 265 HB2 ARG 36 2HB ARG 36 -4.930 -3.943 -0.603 266 HB3 ARG 36 3HB ARG 36 -4.737 -5.627 -0.112 267 HG2 ARG 36 2HG ARG 36 -5.404 -5.147 2.153 268 HG3 ARG 36 3HG ARG 36 -5.446 -3.412 1.847 269 HD2 ARG 36 2HD ARG 36 -7.298 -3.665 0.273 270 HD3 ARG 36 3HD ARG 36 -7.223 -5.426 0.420 271 HE ARG 36 HE ARG 36 -7.568 -4.278 3.026 272 HH11 ARG 36 1HH2 ARG 36 -9.547 -4.803 0.137 273 HH12 ARG 36 2HH2 ARG 36 -10.987 -4.919 1.097 274 HH21 ARG 36 1HH1 ARG 36 -9.444 -4.165 4.061 275 HH22 ARG 36 2HH1 ARG 36 -10.950 -4.541 3.247 276 H LEU 37 H LEU 37 -2.170 -2.526 -0.964 277 HA LEU 37 HA LEU 37 -2.232 -0.432 1.152 278 HB2 LEU 37 2HB LEU 37 -0.459 -0.381 -1.305 279 HB3 LEU 37 3HB LEU 37 -0.472 0.697 0.117 280 HG LEU 37 HG LEU 37 1.455 -0.483 0.305 281 HD11 LEU 37 1HD1 LEU 37 -0.419 -1.985 2.145 282 HD12 LEU 37 2HD1 LEU 37 1.297 -1.584 2.397 283 HD13 LEU 37 3HD1 LEU 37 0.077 -0.292 2.307 284 HD21 LEU 37 3HD2 LEU 37 0.025 -3.167 0.036 285 HD22 LEU 37 1HD2 LEU 37 0.964 -2.373 -1.243 286 HD23 LEU 37 2HD2 LEU 37 1.748 -2.861 0.280 287 H SER 38 H SER 38 -2.897 1.683 0.537 288 HA SER 38 HA SER 38 -4.239 1.940 -2.092 289 HB2 SER 38 2HB SER 38 -6.056 1.444 -0.622 290 HB3 SER 38 3HB SER 38 -5.461 2.589 0.595 291 HG SER 38 HG SER 38 -7.126 3.530 -0.531 292 H LYS 39 H LYS 39 -4.287 4.035 -2.947 293 HA LYS 39 HA LYS 39 -3.125 6.249 -1.301 294 HB2 LYS 39 2HB LYS 39 -1.445 5.770 -2.972 295 HB3 LYS 39 3HB LYS 39 -2.653 5.784 -4.264 296 HG2 LYS 39 2HG LYS 39 -3.043 8.162 -3.989 297 HG3 LYS 39 3HG LYS 39 -2.012 8.226 -2.539 298 HD2 LYS 39 2HD LYS 39 -0.037 7.740 -3.851 299 HD3 LYS 39 3HD LYS 39 -1.028 7.373 -5.279 300 HE2 LYS 39 2HE LYS 39 -0.363 9.445 -5.873 301 HE3 LYS 39 3HE LYS 39 -1.865 9.848 -5.041 302 HZ1 LYS 39 3HZ LYS 39 0.016 11.256 -4.364 303 HZ2 LYS 39 1HZ LYS 39 -0.556 10.435 -3.082 304 HZ3 LYS 39 2HZ LYS 39 0.846 9.946 -3.835 305 H LYS 40 H LYS 40 -4.332 8.016 -1.132 306 HA LYS 40 HA LYS 40 -6.959 8.137 -2.496 307 HB2 LYS 40 2HB LYS 40 -7.114 8.442 -0.211 308 HB3 LYS 40 3HB LYS 40 -5.762 9.529 -0.109 309 HG2 LYS 40 2HG LYS 40 -8.356 10.211 -1.615 310 HG3 LYS 40 3HG LYS 40 -8.161 10.464 0.114 311 HD2 LYS 40 2HD LYS 40 -6.822 11.929 -2.143 312 HD3 LYS 40 3HD LYS 40 -7.764 12.573 -0.807 313 HE2 LYS 40 2HE LYS 40 -5.922 12.090 0.774 314 HE3 LYS 40 3HE LYS 40 -5.012 11.296 -0.521 315 HZ1 LYS 40 3HZ LYS 40 -5.553 14.183 -0.315 316 HZ2 LYS 40 1HZ LYS 40 -4.104 13.377 -0.384 317 HZ3 LYS 40 2HZ LYS 40 -5.026 13.462 -1.702 318 H MET 41 H MET 41 -6.970 8.985 -4.488 319 HA MET 41 HA MET 41 -5.967 11.675 -4.906 320 HB2 MET 41 2HB MET 41 -4.469 11.274 -6.763 321 HB3 MET 41 3HB MET 41 -3.844 10.589 -5.271 322 HG2 MET 41 2HG MET 41 -4.578 8.341 -5.975 323 HG3 MET 41 3HG MET 41 -5.249 9.021 -7.465 324 HE1 MET 41 3HE MET 41 -3.350 6.630 -7.289 325 HE2 MET 41 1HE MET 41 -4.007 7.289 -8.807 326 HE3 MET 41 2HE MET 41 -2.262 6.924 -8.677 327 H VAL 42 H VAL 42 -6.916 12.719 -6.707 328 HA VAL 42 HA VAL 42 -9.113 11.576 -8.049 329 HB VAL 42 HB VAL 42 -8.860 13.941 -7.908 330 HG11 VAL 42 1HG1 VAL 42 -7.288 15.247 -9.222 331 HG12 VAL 42 2HG1 VAL 42 -6.408 14.206 -8.099 332 HG13 VAL 42 3HG1 VAL 42 -6.503 13.776 -9.823 333 HG21 VAL 42 3HG2 VAL 42 -8.762 13.102 -10.810 334 HG22 VAL 42 1HG2 VAL 42 -10.180 13.001 -9.732 335 HG23 VAL 42 2HG2 VAL 42 -9.485 14.579 -10.134 336 H ASP 43 H ASP 43 -9.348 10.206 -9.694 337 HA ASP 43 HA ASP 43 -7.025 8.780 -10.653 338 HB2 ASP 43 2HB ASP 43 -9.133 7.664 -10.144 339 HB3 ASP 43 3HB ASP 43 -9.954 8.570 -11.412 340 HA PRO 44 HA PRO 44 -6.214 11.443 -14.050 341 HB2 PRO 44 2HB PRO 44 -4.388 9.961 -15.490 342 HB3 PRO 44 3HB PRO 44 -4.035 10.701 -13.900 343 HG2 PRO 44 2HG PRO 44 -4.939 7.849 -14.454 344 HG3 PRO 44 3HG PRO 44 -3.544 8.394 -13.458 345 HD2 PRO 44 2HD PRO 44 -5.894 7.763 -12.327 346 HD3 PRO 44 3HD PRO 44 -4.966 9.179 -11.745 347 H GLU 45 H GLU 45 -7.773 8.375 -14.652 348 HA GLU 45 HA GLU 45 -8.437 9.164 -17.467 349 HB2 GLU 45 2HB GLU 45 -8.879 6.542 -15.991 350 HB3 GLU 45 3HB GLU 45 -9.301 6.865 -17.665 351 HG2 GLU 45 2HG GLU 45 -6.490 6.792 -16.492 352 HG3 GLU 45 3HG GLU 45 -7.236 5.570 -17.509 353 H LYS 46 H LYS 46 -9.636 9.333 -14.303 354 HA LYS 46 HA LYS 46 -12.437 9.846 -15.192 355 HB2 LYS 46 2HB LYS 46 -11.614 8.019 -12.909 356 HB3 LYS 46 3HB LYS 46 -13.269 8.497 -13.296 357 HG2 LYS 46 2HG LYS 46 -13.195 7.339 -15.422 358 HG3 LYS 46 3HG LYS 46 -11.516 6.846 -15.156 359 HD2 LYS 46 2HD LYS 46 -13.844 6.188 -13.314 360 HD3 LYS 46 3HD LYS 46 -13.231 5.091 -14.560 361 HE2 LYS 46 2HE LYS 46 -11.782 6.042 -12.050 362 HE3 LYS 46 3HE LYS 46 -12.358 4.414 -12.404 363 HZ1 LYS 46 3HZ LYS 46 -10.716 4.410 -14.294 364 HZ2 LYS 46 1HZ LYS 46 -10.097 5.834 -13.719 365 HZ3 LYS 46 2HZ LYS 46 -10.017 4.493 -12.817 366 HA PRO 47 HA PRO 47 -10.811 12.763 -11.874 367 HB2 PRO 47 2HB PRO 47 -10.744 15.165 -13.193 368 HB3 PRO 47 3HB PRO 47 -9.381 14.010 -13.136 369 HG2 PRO 47 2HG PRO 47 -11.485 14.299 -15.318 370 HG3 PRO 47 3HG PRO 47 -9.701 14.212 -15.510 371 HD2 PRO 47 2HD PRO 47 -11.274 12.023 -15.838 372 HD3 PRO 47 3HD PRO 47 -9.668 11.908 -15.056 373 H GLN 48 H GLN 48 -13.531 12.575 -13.979 374 HA GLN 48 HA GLN 48 -15.313 14.455 -12.746 375 HB2 GLN 48 2HB GLN 48 -15.818 11.802 -14.164 376 HB3 GLN 48 3HB GLN 48 -17.078 12.948 -13.691 377 HG2 GLN 48 2HG GLN 48 -16.041 14.697 -15.123 378 HG3 GLN 48 3HG GLN 48 -14.806 13.547 -15.641 379 HE21 GLN 48 2HE2 GLN 48 -18.347 14.207 -15.743 380 HE22 GLN 48 1HE2 GLN 48 -18.616 13.210 -17.167 381 H LEU 49 H LEU 49 -14.205 11.205 -11.667 382 HA LEU 49 HA LEU 49 -16.140 10.888 -9.538 383 HB2 LEU 49 2HB LEU 49 -13.216 10.055 -9.831 384 HB3 LEU 49 3HB LEU 49 -14.275 9.484 -8.555 385 HG LEU 49 HG LEU 49 -14.719 8.932 -11.520 386 HD11 LEU 49 1HD1 LEU 49 -13.650 7.242 -9.229 387 HD12 LEU 49 2HD1 LEU 49 -13.919 6.674 -10.894 388 HD13 LEU 49 3HD1 LEU 49 -12.676 7.910 -10.549 389 HD21 LEU 49 3HD2 LEU 49 -16.069 7.908 -8.981 390 HD22 LEU 49 1HD2 LEU 49 -16.821 8.883 -10.263 391 HD23 LEU 49 2HD2 LEU 49 -16.313 7.224 -10.609 392 H GLY 50 H GLY 50 -13.239 12.885 -9.823 393 HA2 GLY 50 2HA GLY 50 -11.982 14.051 -8.246 394 HA3 GLY 50 3HA GLY 50 -13.193 13.711 -7.007 395 H MET 51 H MET 51 -11.762 12.934 -5.540 396 HA MET 51 HA MET 51 -9.570 11.247 -6.038 397 HB2 MET 51 2HB MET 51 -10.626 11.788 -3.273 398 HB3 MET 51 3HB MET 51 -8.965 11.631 -3.840 399 HG2 MET 51 2HG MET 51 -9.574 13.833 -5.226 400 HG3 MET 51 3HG MET 51 -10.876 13.967 -4.045 401 HE1 MET 51 3HE MET 51 -6.378 14.536 -3.516 402 HE2 MET 51 1HE MET 51 -7.132 13.068 -4.196 403 HE3 MET 51 2HE MET 51 -7.336 14.622 -5.018 404 H ILE 52 H ILE 52 -9.254 9.078 -5.806 405 HA ILE 52 HA ILE 52 -11.403 7.508 -4.463 406 HB ILE 52 HB ILE 52 -10.796 5.606 -5.948 407 HG12 ILE 52 2HG1 ILE 52 -9.528 7.641 -7.822 408 HG13 ILE 52 3HG1 ILE 52 -8.567 6.659 -6.714 409 HG21 ILE 52 1HG2 ILE 52 -12.817 6.977 -6.212 410 HG22 ILE 52 2HG2 ILE 52 -11.960 8.004 -7.394 411 HG23 ILE 52 3HG2 ILE 52 -12.246 6.276 -7.731 412 HD11 ILE 52 3HD1 ILE 52 -8.630 5.573 -8.867 413 HD12 ILE 52 1HD1 ILE 52 -9.510 4.594 -7.671 414 HD13 ILE 52 2HD1 ILE 52 -10.400 5.563 -8.875 415 H ASP 53 H ASP 53 -10.794 5.517 -3.622 416 HA ASP 53 HA ASP 53 -8.150 5.534 -2.250 417 HB2 ASP 53 2HB ASP 53 -10.723 3.969 -1.759 418 HB3 ASP 53 3HB ASP 53 -9.211 3.675 -0.906 419 H ARG 54 H ARG 54 -6.893 4.948 -3.970 420 HA ARG 54 HA ARG 54 -7.659 2.809 -5.843 421 HB2 ARG 54 2HB ARG 54 -6.448 5.226 -6.114 422 HB3 ARG 54 3HB ARG 54 -5.009 4.214 -6.003 423 HG2 ARG 54 2HG ARG 54 -5.579 3.004 -7.962 424 HG3 ARG 54 3HG ARG 54 -7.251 3.634 -7.963 425 HD2 ARG 54 2HD ARG 54 -6.306 5.952 -8.235 426 HD3 ARG 54 3HD ARG 54 -4.709 5.222 -8.426 427 HE ARG 54 HE ARG 54 -6.910 5.302 -10.374 428 HH11 ARG 54 1HH2 ARG 54 -3.770 3.780 -9.747 429 HH12 ARG 54 2HH2 ARG 54 -3.551 3.480 -11.449 430 HH21 ARG 54 1HH1 ARG 54 -6.556 4.963 -12.337 431 HH22 ARG 54 2HH1 ARG 54 -5.124 4.120 -12.937 432 H TRP 55 H TRP 55 -7.278 0.719 -5.250 433 HA TRP 55 HA TRP 55 -5.230 0.121 -3.277 434 HB2 TRP 55 2HB TRP 55 -7.236 -1.670 -4.650 435 HB3 TRP 55 3HB TRP 55 -6.100 -2.202 -3.420 436 HD1 TRP 55 HD1 TRP 55 -9.406 -0.504 -3.821 437 HE1 TRP 55 HE1 TRP 55 -10.431 0.059 -1.543 438 HE3 TRP 55 HE3 TRP 55 -5.370 -1.546 -0.802 439 HZ2 TRP 55 HZ2 TRP 55 -9.599 0.143 1.211 440 HZ3 TRP 55 HZ3 TRP 55 -5.497 -1.105 1.630 441 HH2 TRP 55 HH2 TRP 55 -7.603 -0.280 2.653 442 H TYR 56 H TYR 56 -3.606 -1.352 -3.394 443 HA TYR 56 HA TYR 56 -2.494 -2.343 -5.948 444 HB2 TYR 56 2HB TYR 56 -1.029 -0.710 -3.827 445 HB3 TYR 56 3HB TYR 56 -0.295 -1.435 -5.253 446 HD1 TYR 56 HD2 TYR 56 -0.938 -0.630 -7.520 447 HD2 TYR 56 HD1 TYR 56 -2.131 1.447 -3.958 448 HE1 TYR 56 HE2 TYR 56 -1.607 1.364 -8.908 449 HE2 TYR 56 HE1 TYR 56 -2.802 3.413 -5.322 450 HH TYR 56 HH TYR 56 -2.949 4.300 -7.402 451 H HIS 57 H HIS 57 -1.048 -4.030 -5.715 452 HA HIS 57 HA HIS 57 -1.096 -5.841 -3.388 453 HB2 HIS 57 2HB HIS 57 0.649 -5.757 -5.862 454 HB3 HIS 57 3HB HIS 57 0.807 -6.975 -4.633 455 HD2 HIS 57 HD2 HIS 57 -1.640 -8.403 -4.103 456 HE1 HIS 57 HE1 HIS 57 -2.803 -8.254 -8.194 457 HE2 HIS 57 HE2 HIS 57 -3.165 -9.448 -5.994 458 HA PRO 58 HA PRO 58 2.526 -4.055 -1.276 459 HB2 PRO 58 2HB PRO 58 3.824 -6.280 -0.303 460 HB3 PRO 58 3HB PRO 58 2.330 -5.585 0.389 461 HG2 PRO 58 2HG PRO 58 2.581 -7.890 -1.566 462 HG3 PRO 58 3HG PRO 58 1.589 -7.801 -0.071 463 HD2 PRO 58 2HD PRO 58 0.483 -7.360 -2.480 464 HD3 PRO 58 3HD PRO 58 0.033 -6.348 -1.082 465 H GLY 59 H GLY 59 3.059 -6.278 -3.916 466 HA2 GLY 59 2HA GLY 59 5.893 -5.489 -4.273 467 HA3 GLY 59 3HA GLY 59 4.915 -6.480 -5.361 468 H CYS 60 HN CYS 60 2.746 -4.891 -5.939 469 HA CYS 60 HA CYS 60 3.840 -3.329 -7.956 470 HB2 CYS 60 2HB CYS 60 0.981 -3.360 -6.929 471 HB3 CYS 60 3HB CYS 60 1.507 -2.849 -8.542 472 H PHE 61 H PHE 61 2.362 -2.209 -4.874 473 HA PHE 61 HA PHE 61 2.328 0.539 -5.638 474 HB2 PHE 61 2HB PHE 61 1.551 0.939 -3.589 475 HB3 PHE 61 3HB PHE 61 1.372 -0.808 -3.525 476 HD1 PHE 61 HD2 PHE 61 3.113 -2.190 -2.420 477 HD2 PHE 61 HD1 PHE 61 3.187 2.089 -2.256 478 HE1 PHE 61 HE2 PHE 61 4.528 -2.308 -0.353 479 HE2 PHE 61 HE1 PHE 61 4.589 2.001 -0.181 480 HZ PHE 61 HZ PHE 61 5.252 -0.203 0.768 481 H VAL 62 H VAL 62 4.973 -1.444 -4.338 482 HA VAL 62 HA VAL 62 6.932 0.696 -4.237 483 HB VAL 62 HB VAL 62 7.381 -2.302 -4.482 484 HG11 VAL 62 1HG1 VAL 62 9.406 -1.110 -5.079 485 HG12 VAL 62 2HG1 VAL 62 9.257 -0.053 -3.648 486 HG13 VAL 62 3HG1 VAL 62 9.597 -1.787 -3.469 487 HG21 VAL 62 3HG2 VAL 62 7.194 -0.480 -2.046 488 HG22 VAL 62 1HG2 VAL 62 6.137 -1.847 -2.468 489 HG23 VAL 62 2HG2 VAL 62 7.802 -2.152 -2.013 490 H LYS 63 H LYS 63 5.908 -1.546 -6.823 491 HA LYS 63 HA LYS 63 7.927 -0.825 -8.725 492 HB2 LYS 63 2HB LYS 63 6.554 -2.846 -8.924 493 HB3 LYS 63 3HB LYS 63 5.093 -1.876 -9.079 494 HG2 LYS 63 2HG LYS 63 5.877 -0.966 -11.239 495 HG3 LYS 63 3HG LYS 63 7.350 -1.933 -11.095 496 HD2 LYS 63 2HD LYS 63 5.757 -3.029 -12.581 497 HD3 LYS 63 3HD LYS 63 6.029 -4.002 -11.143 498 HE2 LYS 63 2HE LYS 63 3.693 -4.075 -11.764 499 HE3 LYS 63 3HE LYS 63 3.854 -3.290 -10.198 500 HZ1 LYS 63 3HZ LYS 63 3.604 -1.755 -12.732 501 HZ2 LYS 63 1HZ LYS 63 2.309 -2.184 -11.840 502 HZ3 LYS 63 2HZ LYS 63 3.402 -1.179 -11.198 503 H ASN 64 H ASN 64 4.767 0.670 -8.026 504 HA ASN 64 HA ASN 64 5.399 2.896 -9.905 505 HB2 ASN 64 2HB ASN 64 2.768 3.289 -9.374 506 HB3 ASN 64 3HB ASN 64 3.454 2.511 -10.774 507 HD21 ASN 64 1HD2 ASN 64 1.766 1.917 -7.695 508 HD22 ASN 64 2HD2 ASN 64 1.268 0.306 -8.200 509 H ARG 65 H ARG 65 6.409 2.513 -6.997 510 HA ARG 65 HA ARG 65 5.279 4.344 -5.303 511 HB2 ARG 65 2HB ARG 65 7.242 4.272 -4.064 512 HB3 ARG 65 3HB ARG 65 7.331 2.790 -4.987 513 HG2 ARG 65 2HG ARG 65 8.799 4.115 -6.678 514 HG3 ARG 65 3HG ARG 65 8.816 5.405 -5.467 515 HD2 ARG 65 2HD ARG 65 10.798 4.279 -5.104 516 HD3 ARG 65 3HD ARG 65 9.733 3.639 -3.838 517 HE ARG 65 HE ARG 65 9.375 1.852 -5.902 518 HH11 ARG 65 1HH2 ARG 65 12.303 2.907 -4.276 519 HH12 ARG 65 2HH2 ARG 65 13.199 1.517 -4.819 520 HH21 ARG 65 1HH1 ARG 65 10.584 0.193 -6.623 521 HH22 ARG 65 2HH1 ARG 65 12.239 -0.001 -6.106 522 H GLU 66 H GLU 66 7.383 5.161 -8.013 523 HA GLU 66 HA GLU 66 7.524 7.976 -7.341 524 HB2 GLU 66 2HB GLU 66 8.707 8.208 -9.483 525 HB3 GLU 66 3HB GLU 66 9.392 6.968 -8.436 526 HG2 GLU 66 2HG GLU 66 8.316 5.194 -9.771 527 HG3 GLU 66 3HG GLU 66 7.551 6.407 -10.802 528 H GLU 67 H GLU 67 5.324 6.034 -9.241 529 HA GLU 67 HA GLU 67 3.961 8.307 -10.485 530 HB2 GLU 67 2HB GLU 67 4.049 6.063 -11.532 531 HB3 GLU 67 3HB GLU 67 3.074 5.423 -10.205 532 HG2 GLU 67 2HG GLU 67 1.207 6.885 -10.809 533 HG3 GLU 67 3HG GLU 67 2.195 7.697 -12.029 534 H LEU 68 H LEU 68 3.566 6.175 -7.647 535 HA LEU 68 HA LEU 68 1.271 7.591 -6.555 536 HB2 LEU 68 2HB LEU 68 3.258 5.688 -5.273 537 HB3 LEU 68 3HB LEU 68 1.734 6.198 -4.553 538 HG LEU 68 HG LEU 68 2.084 4.493 -7.056 539 HD11 LEU 68 1HD1 LEU 68 1.007 3.841 -4.289 540 HD12 LEU 68 2HD1 LEU 68 1.049 2.736 -5.673 541 HD13 LEU 68 3HD1 LEU 68 2.568 3.318 -4.960 542 HD21 LEU 68 3HD2 LEU 68 -0.528 5.185 -5.690 543 HD22 LEU 68 1HD2 LEU 68 0.033 5.923 -7.219 544 HD23 LEU 68 2HD2 LEU 68 -0.258 4.196 -7.139 545 H GLY 69 H GLY 69 4.612 8.419 -6.616 546 HA2 GLY 69 2HA GLY 69 5.409 10.548 -6.125 547 HA3 GLY 69 3HA GLY 69 3.945 10.914 -5.212 548 H PHE 70 H PHE 70 5.702 8.003 -4.386 549 HA PHE 70 HA PHE 70 6.212 8.780 -1.670 550 HB2 PHE 70 2HB PHE 70 7.085 6.487 -3.432 551 HB3 PHE 70 3HB PHE 70 7.808 6.709 -1.861 552 HD1 PHE 70 HD1 PHE 70 4.594 5.920 -3.562 553 HD2 PHE 70 HD2 PHE 70 6.653 6.321 0.181 554 HE1 PHE 70 HE1 PHE 70 2.802 4.616 -2.442 555 HE2 PHE 70 HE2 PHE 70 4.895 4.990 1.312 556 HZ PHE 70 HZ PHE 70 2.964 4.125 -0.014 557 H ARG 71 H ARG 71 7.979 9.408 -0.613 558 HA ARG 71 HA ARG 71 10.599 9.772 -1.971 559 HB2 ARG 71 2HB ARG 71 9.230 11.704 -0.057 560 HB3 ARG 71 3HB ARG 71 10.908 11.833 -0.564 561 HG2 ARG 71 2HG ARG 71 10.217 12.224 -2.901 562 HG3 ARG 71 3HG ARG 71 8.504 12.109 -2.413 563 HD2 ARG 71 2HD ARG 71 8.884 13.904 -0.737 564 HD3 ARG 71 3HD ARG 71 10.561 14.061 -1.291 565 HE ARG 71 HE ARG 71 8.878 14.418 -3.543 566 HH11 ARG 71 1HH2 ARG 71 9.610 16.091 -0.528 567 HH12 ARG 71 2HH2 ARG 71 9.185 17.649 -1.200 568 HH21 ARG 71 1HH1 ARG 71 8.356 16.449 -4.318 569 HH22 ARG 71 2HH1 ARG 71 8.500 17.840 -3.284 570 HA PRO 72 HA PRO 72 12.320 7.805 1.695 571 HB2 PRO 72 2HB PRO 72 14.196 10.172 1.793 572 HB3 PRO 72 3HB PRO 72 14.572 8.427 1.950 573 HG2 PRO 72 2HG PRO 72 15.033 9.689 -0.392 574 HG3 PRO 72 3HG PRO 72 14.236 8.079 -0.405 575 HD2 PRO 72 2HD PRO 72 12.939 10.818 -0.617 576 HD3 PRO 72 3HD PRO 72 12.646 9.352 -1.599 577 H GLU 73 H GLU 73 11.598 11.321 1.895 578 HA GLU 73 HA GLU 73 11.552 11.396 4.764 579 HB2 GLU 73 2HB GLU 73 10.602 13.598 4.533 580 HB3 GLU 73 3HB GLU 73 11.918 13.387 3.379 581 HG2 GLU 73 2HG GLU 73 10.274 12.972 1.572 582 HG3 GLU 73 3HG GLU 73 8.948 13.194 2.711 583 H TYR 74 H TYR 74 9.235 10.031 2.623 584 HA TYR 74 HA TYR 74 7.540 9.409 4.894 585 HB2 TYR 74 2HB TYR 74 5.420 10.129 3.694 586 HB3 TYR 74 3HB TYR 74 6.388 11.321 4.506 587 HD1 TYR 74 HD1 TYR 74 6.660 9.907 0.990 588 HD2 TYR 74 HD2 TYR 74 6.060 13.364 3.499 589 HE1 TYR 74 HE1 TYR 74 6.604 11.360 -1.018 590 HE2 TYR 74 HE2 TYR 74 5.969 14.808 1.473 591 HH TYR 74 HH TYR 74 6.221 13.457 -1.835 592 H SER 75 H SER 75 9.086 7.644 3.838 593 HA SER 75 HA SER 75 7.833 5.952 1.831 594 HB2 SER 75 2HB SER 75 10.089 5.548 3.788 595 HB3 SER 75 3HB SER 75 9.596 4.348 2.580 596 HG SER 75 HG SER 75 10.036 6.988 1.733 597 H ALA 76 H ALA 76 7.666 3.514 2.611 598 HA ALA 76 HA ALA 76 5.116 3.200 3.286 599 HB1 ALA 76 1HB ALA 76 5.612 0.831 3.576 600 HB2 ALA 76 2HB ALA 76 6.645 1.503 2.306 601 HB3 ALA 76 3HB ALA 76 7.315 1.186 3.924 602 H SER 77 H SER 77 7.430 3.702 5.906 603 HA SER 77 HA SER 77 5.823 2.577 8.023 604 HB2 SER 77 2HB SER 77 8.297 3.252 8.088 605 HB3 SER 77 3HB SER 77 7.736 4.927 8.242 606 HG SER 77 HG SER 77 7.371 2.724 10.000 607 H GLN 78 H GLN 78 5.539 5.545 6.130 608 HA GLN 78 HA GLN 78 3.685 6.775 8.011 609 HB2 GLN 78 2HB GLN 78 4.767 7.863 5.401 610 HB3 GLN 78 3HB GLN 78 3.956 8.764 6.678 611 HG2 GLN 78 2HG GLN 78 6.728 7.495 6.871 612 HG3 GLN 78 3HG GLN 78 6.350 9.194 6.662 613 HE21 GLN 78 2HE2 GLN 78 6.159 10.474 8.492 614 HE22 GLN 78 1HE2 GLN 78 5.981 9.806 10.104 615 H LEU 79 H LEU 79 2.994 4.327 6.284 616 HA LEU 79 HA LEU 79 0.584 5.270 4.819 617 HB2 LEU 79 2HB LEU 79 1.737 2.531 5.496 618 HB3 LEU 79 3HB LEU 79 0.189 2.748 4.708 619 HG LEU 79 HG LEU 79 2.633 3.928 3.387 620 HD11 LEU 79 1HD1 LEU 79 1.833 1.015 2.993 621 HD12 LEU 79 2HD1 LEU 79 3.143 1.897 2.197 622 HD13 LEU 79 3HD1 LEU 79 3.235 1.511 3.922 623 HD21 LEU 79 3HD2 LEU 79 0.229 2.474 2.229 624 HD22 LEU 79 1HD2 LEU 79 0.266 4.205 2.555 625 HD23 LEU 79 2HD2 LEU 79 1.385 3.504 1.378 626 H LYS 80 H LYS 80 -1.454 5.294 5.652 627 HA LYS 80 HA LYS 80 -2.000 5.237 8.424 628 HB2 LYS 80 2HB LYS 80 -4.013 4.535 6.236 629 HB3 LYS 80 3HB LYS 80 -4.378 5.018 7.889 630 HG2 LYS 80 2HG LYS 80 -3.205 7.195 7.425 631 HG3 LYS 80 3HG LYS 80 -3.132 6.723 5.716 632 HD2 LYS 80 2HD LYS 80 -5.647 7.106 7.416 633 HD3 LYS 80 3HD LYS 80 -5.005 8.273 6.256 634 HE2 LYS 80 2HE LYS 80 -5.361 6.659 4.411 635 HE3 LYS 80 3HE LYS 80 -6.004 5.475 5.563 636 HZ1 LYS 80 3HZ LYS 80 -7.801 7.040 6.069 637 HZ2 LYS 80 1HZ LYS 80 -7.211 8.137 5.013 638 HZ3 LYS 80 2HZ LYS 80 -7.790 6.712 4.472 639 H GLY 81 H GLY 81 -2.284 3.644 9.892 640 HA2 GLY 81 2HA GLY 81 -2.756 1.570 10.809 641 HA3 GLY 81 3HA GLY 81 -3.410 1.058 9.255 642 H PHE 82 H PHE 82 -0.147 2.063 8.793 643 HA PHE 82 HA PHE 82 0.905 -0.476 8.171 644 HB2 PHE 82 2HB PHE 82 2.039 1.433 7.381 645 HB3 PHE 82 3HB PHE 82 2.072 2.206 8.957 646 HD1 PHE 82 HD1 PHE 82 3.712 1.663 10.644 647 HD2 PHE 82 HD2 PHE 82 3.806 -0.203 6.761 648 HE1 PHE 82 HE1 PHE 82 6.028 0.868 11.085 649 HE2 PHE 82 HE2 PHE 82 6.139 -0.952 7.186 650 HZ PHE 82 HZ PHE 82 7.243 -0.438 9.344 651 H SER 83 H SER 83 1.132 1.378 11.226 652 HA SER 83 HA SER 83 2.706 -0.368 12.717 653 HB2 SER 83 2HB SER 83 0.477 1.454 13.697 654 HB3 SER 83 3HB SER 83 1.827 0.831 14.672 655 HG SER 83 HG SER 83 2.246 2.943 13.890 656 H LEU 84 H LEU 84 -0.624 -0.831 11.842 657 HA LEU 84 HA LEU 84 -1.231 -2.693 14.056 658 HB2 LEU 84 2HB LEU 84 -2.947 -1.760 11.726 659 HB3 LEU 84 3HB LEU 84 -3.495 -2.657 13.135 660 HG LEU 84 HG LEU 84 -2.432 0.204 13.152 661 HD11 LEU 84 1HD1 LEU 84 -4.746 0.806 13.680 662 HD12 LEU 84 2HD1 LEU 84 -4.660 -0.045 12.128 663 HD13 LEU 84 3HD1 LEU 84 -5.236 -0.901 13.577 664 HD21 LEU 84 3HD2 LEU 84 -3.236 0.258 15.501 665 HD22 LEU 84 1HD2 LEU 84 -3.578 -1.485 15.419 666 HD23 LEU 84 2HD2 LEU 84 -1.907 -0.888 15.293 667 H LEU 85 H LEU 85 0.225 -2.974 11.010 668 HA LEU 85 HA LEU 85 -0.754 -5.644 10.305 669 HB2 LEU 85 2HB LEU 85 1.694 -4.057 9.484 670 HB3 LEU 85 3HB LEU 85 1.260 -5.607 8.788 671 HG LEU 85 HG LEU 85 -0.546 -3.152 8.625 672 HD11 LEU 85 1HD1 LEU 85 1.434 -4.269 6.588 673 HD12 LEU 85 2HD1 LEU 85 0.311 -2.918 6.325 674 HD13 LEU 85 3HD1 LEU 85 1.632 -2.753 7.493 675 HD21 LEU 85 3HD2 LEU 85 -1.512 -4.389 6.694 676 HD22 LEU 85 1HD2 LEU 85 -0.532 -5.794 7.136 677 HD23 LEU 85 2HD2 LEU 85 -1.782 -5.189 8.249 678 H ALA 86 H ALA 86 0.920 -7.483 10.167 679 HA ALA 86 HA ALA 86 2.050 -8.086 12.764 680 HB1 ALA 86 1HB ALA 86 2.479 -9.446 10.071 681 HB2 ALA 86 2HB ALA 86 2.838 -10.127 11.670 682 HB3 ALA 86 3HB ALA 86 1.155 -9.812 11.202 683 H THR 87 H THR 87 4.242 -8.234 13.358 684 HA THR 87 HA THR 87 5.993 -6.203 12.640 685 HB THR 87 HB THR 87 6.839 -8.937 13.636 686 HG1 THR 87 1HG THR 87 6.361 -8.121 15.688 687 HG21 THR 87 1HG2 THR 87 8.514 -7.628 14.943 688 HG22 THR 87 2HG2 THR 87 8.735 -7.407 13.203 689 HG23 THR 87 3HG2 THR 87 7.945 -6.135 14.160 690 H GLU 88 H GLU 88 5.900 -9.521 11.260 691 HA GLU 88 HA GLU 88 8.266 -9.227 9.670 692 HB2 GLU 88 2HB GLU 88 7.548 -11.226 8.527 693 HB3 GLU 88 3HB GLU 88 7.332 -11.391 10.268 694 HG2 GLU 88 2HG GLU 88 4.878 -10.888 9.968 695 HG3 GLU 88 3HG GLU 88 5.133 -10.855 8.221 696 H ASP 89 H ASP 89 4.915 -8.225 9.015 697 HA ASP 89 HA ASP 89 5.535 -7.541 6.208 698 HB2 ASP 89 2HB ASP 89 3.085 -7.109 7.943 699 HB3 ASP 89 3HB ASP 89 3.238 -6.513 6.292 700 H LYS 90 H LYS 90 5.211 -5.843 9.331 701 HA LYS 90 HA LYS 90 5.624 -3.168 8.349 702 HB2 LYS 90 2HB LYS 90 6.194 -4.504 11.025 703 HB3 LYS 90 3HB LYS 90 6.453 -2.774 10.742 704 HG2 LYS 90 2HG LYS 90 4.165 -2.360 10.304 705 HG3 LYS 90 3HG LYS 90 3.796 -4.071 10.098 706 HD2 LYS 90 2HD LYS 90 2.866 -3.301 12.161 707 HD3 LYS 90 3HD LYS 90 4.120 -4.506 12.472 708 HE2 LYS 90 2HE LYS 90 5.704 -2.709 13.092 709 HE3 LYS 90 3HE LYS 90 4.485 -1.489 12.694 710 HZ1 LYS 90 3HZ LYS 90 3.063 -2.455 14.456 711 HZ2 LYS 90 1HZ LYS 90 4.226 -3.538 14.838 712 HZ3 LYS 90 2HZ LYS 90 4.493 -1.947 15.082 713 H GLU 91 H GLU 91 7.966 -5.688 9.294 714 HA GLU 91 HA GLU 91 10.306 -4.112 8.601 715 HB2 GLU 91 2HB GLU 91 9.825 -7.105 8.854 716 HB3 GLU 91 3HB GLU 91 11.392 -6.412 8.453 717 HG2 GLU 91 2HG GLU 91 9.830 -5.803 10.999 718 HG3 GLU 91 3HG GLU 91 11.147 -6.962 10.865 719 H ALA 92 H ALA 92 8.462 -6.612 6.715 720 HA ALA 92 HA ALA 92 10.128 -6.453 4.448 721 HB1 ALA 92 1HB ALA 92 7.196 -7.215 4.625 722 HB2 ALA 92 2HB ALA 92 8.306 -7.613 3.293 723 HB3 ALA 92 3HB ALA 92 8.590 -8.291 4.908 724 H LEU 93 H LEU 93 7.279 -4.400 5.200 725 HA LEU 93 HA LEU 93 7.160 -3.132 2.611 726 HB2 LEU 93 2HB LEU 93 6.204 -2.382 5.395 727 HB3 LEU 93 3HB LEU 93 5.920 -1.350 3.999 728 HG LEU 93 HG LEU 93 4.939 -4.231 4.166 729 HD11 LEU 93 1HD1 LEU 93 3.457 -1.609 4.649 730 HD12 LEU 93 2HD1 LEU 93 2.733 -3.232 4.613 731 HD13 LEU 93 3HD1 LEU 93 3.885 -2.813 5.889 732 HD21 LEU 93 3HD2 LEU 93 4.228 -1.954 2.276 733 HD22 LEU 93 1HD2 LEU 93 5.150 -3.416 1.852 734 HD23 LEU 93 2HD2 LEU 93 3.454 -3.551 2.320 735 H LYS 94 H LYS 94 8.897 -2.255 5.639 736 HA LYS 94 HA LYS 94 10.175 0.113 4.530 737 HB2 LYS 94 2HB LYS 94 10.964 -1.751 6.800 738 HB3 LYS 94 3HB LYS 94 11.808 -0.252 6.406 739 HG2 LYS 94 2HG LYS 94 9.764 1.063 6.848 740 HG3 LYS 94 3HG LYS 94 8.892 -0.408 7.291 741 HD2 LYS 94 2HD LYS 94 11.398 0.654 8.678 742 HD3 LYS 94 3HD LYS 94 9.745 0.855 9.277 743 HE2 LYS 94 2HE LYS 94 9.478 -1.536 9.596 744 HE3 LYS 94 3HE LYS 94 10.991 -1.876 8.760 745 HZ1 LYS 94 3HZ LYS 94 12.200 -0.761 10.526 746 HZ2 LYS 94 1HZ LYS 94 10.807 -0.501 11.368 747 HZ3 LYS 94 2HZ LYS 94 11.338 -2.038 11.077 748 H LYS 95 H LYS 95 11.137 -3.333 4.737 749 HA LYS 95 HA LYS 95 13.763 -2.915 3.705 750 HB2 LYS 95 2HB LYS 95 12.005 -5.373 3.877 751 HB3 LYS 95 3HB LYS 95 13.627 -5.442 3.179 752 HG2 LYS 95 2HG LYS 95 14.659 -4.644 5.206 753 HG3 LYS 95 3HG LYS 95 13.097 -4.329 5.968 754 HD2 LYS 95 2HD LYS 95 12.545 -6.748 5.858 755 HD3 LYS 95 3HD LYS 95 14.126 -7.082 5.140 756 HE2 LYS 95 2HE LYS 95 13.651 -5.847 7.900 757 HE3 LYS 95 3HE LYS 95 13.995 -7.550 7.590 758 HZ1 LYS 95 3HZ LYS 95 15.849 -5.276 7.159 759 HZ2 LYS 95 1HZ LYS 95 16.028 -6.541 8.163 760 HZ3 LYS 95 2HZ LYS 95 16.132 -6.782 6.558 761 H GLN 96 H GLN 96 10.777 -3.115 1.969 762 HA GLN 96 HA GLN 96 12.142 -3.257 -0.675 763 HB2 GLN 96 2HB GLN 96 9.219 -3.243 0.155 764 HB3 GLN 96 3HB GLN 96 9.784 -3.253 -1.521 765 HG2 GLN 96 2HG GLN 96 10.836 -5.403 -1.281 766 HG3 GLN 96 3HG GLN 96 10.581 -5.418 0.465 767 HE21 GLN 96 2HE2 GLN 96 8.324 -5.455 1.259 768 HE22 GLN 96 1HE2 GLN 96 7.107 -6.271 0.265 769 H LEU 97 H LEU 97 10.415 -0.947 1.424 770 HA LEU 97 HA LEU 97 11.402 1.287 -0.253 771 HB2 LEU 97 2HB LEU 97 9.181 0.715 -1.053 772 HB3 LEU 97 3HB LEU 97 8.509 0.821 0.569 773 HG LEU 97 HG LEU 97 8.733 3.211 0.618 774 HD11 LEU 97 1HD1 LEU 97 10.429 2.902 -1.885 775 HD12 LEU 97 2HD1 LEU 97 9.741 4.459 -1.341 776 HD13 LEU 97 3HD1 LEU 97 10.908 3.610 -0.328 777 HD21 LEU 97 3HD2 LEU 97 6.867 2.305 -0.700 778 HD22 LEU 97 1HD2 LEU 97 7.420 3.853 -1.357 779 HD23 LEU 97 2HD2 LEU 97 7.865 2.338 -2.169 780 HA PRO 98 HA PRO 98 11.925 2.148 4.216 781 HB2 PRO 98 2HB PRO 98 14.661 2.394 4.323 782 HB3 PRO 98 3HB PRO 98 13.782 0.852 4.439 783 HG2 PRO 98 2HG PRO 98 15.395 1.894 2.174 784 HG3 PRO 98 3HG PRO 98 14.875 0.217 2.531 785 HD2 PRO 98 2HD PRO 98 13.705 2.112 0.668 786 HD3 PRO 98 3HD PRO 98 13.248 0.418 0.985 787 H GLY 99 H GLY 99 12.130 4.154 5.298 788 HA2 GLY 99 2HA GLY 99 12.359 6.535 3.667 789 HA3 GLY 99 3HA GLY 99 11.924 6.434 5.367 790 H VAL 100 H VAL 100 13.223 8.382 5.113 791 HA VAL 100 HA VAL 100 16.095 8.277 4.877 792 HB VAL 100 HB VAL 100 14.764 10.195 4.183 793 HG11 VAL 100 1HG1 VAL 100 13.121 10.280 6.075 794 HG12 VAL 100 2HG1 VAL 100 14.407 10.916 7.118 795 HG13 VAL 100 3HG1 VAL 100 13.876 11.840 5.703 796 HG21 VAL 100 3HG2 VAL 100 16.720 11.047 6.336 797 HG22 VAL 100 1HG2 VAL 100 17.196 10.430 4.728 798 HG23 VAL 100 2HG2 VAL 100 16.257 11.923 4.875 799 H LYS 101 H LYS 101 17.627 8.067 6.307 800 HA LYS 101 HA LYS 101 16.983 7.727 9.200 801 HB2 LYS 101 2HB LYS 101 19.045 6.505 9.389 802 HB3 LYS 101 3HB LYS 101 18.024 5.827 8.126 803 HG2 LYS 101 2HG LYS 101 19.431 6.812 6.376 804 HG3 LYS 101 3HG LYS 101 20.395 7.682 7.589 805 HD2 LYS 101 2HD LYS 101 21.109 5.545 8.579 806 HD3 LYS 101 3HD LYS 101 20.128 4.651 7.413 807 HE2 LYS 101 2HE LYS 101 21.523 5.656 5.563 808 HE3 LYS 101 3HE LYS 101 22.513 6.440 6.806 809 HZ1 LYS 101 3HZ LYS 101 22.219 3.509 6.359 810 HZ2 LYS 101 1HZ LYS 101 23.584 4.397 6.221 811 HZ3 LYS 101 2HZ LYS 101 22.912 4.138 7.703 812 H SER 102 H SER 102 18.047 10.176 7.348 813 HA SER 102 HA SER 102 18.930 12.194 7.636 814 HB2 SER 102 2HB SER 102 18.310 11.751 10.561 815 HB3 SER 102 3HB SER 102 18.562 13.311 9.756 816 HG SER 102 HG SER 102 16.334 12.779 9.923 817 H GLU 103 H GLU 103 20.761 9.744 9.251 818 HA GLU 103 HA GLU 103 23.168 11.353 8.703 819 HB2 GLU 103 2HB GLU 103 22.618 11.767 11.100 820 HB3 GLU 103 3HB GLU 103 22.651 10.032 11.402 821 HG2 GLU 103 2HG GLU 103 24.706 11.106 12.165 822 HG3 GLU 103 3HG GLU 103 25.049 9.951 10.891 823 H GLY 104 H GLY 104 24.965 10.152 8.147 824 HA2 GLY 104 2HA GLY 104 24.454 7.562 6.964 825 HA3 GLY 104 3HA GLY 104 25.983 8.439 6.996 826 H LYS 105 H LYS 105 25.287 8.299 10.160 827 HA LYS 105 HA LYS 105 27.180 6.127 10.687 828 HB2 LYS 105 2HB LYS 105 27.238 8.380 11.775 829 HB3 LYS 105 3HB LYS 105 25.700 8.016 12.571 830 HG2 LYS 105 2HG LYS 105 26.753 6.171 13.820 831 HG3 LYS 105 3HG LYS 105 28.250 6.369 12.898 832 HD2 LYS 105 2HD LYS 105 28.520 7.348 15.088 833 HD3 LYS 105 3HD LYS 105 28.555 8.632 13.872 834 HE2 LYS 105 2HE LYS 105 26.185 9.185 14.384 835 HE3 LYS 105 3HE LYS 105 26.127 7.866 15.563 836 HZ1 LYS 105 3HZ LYS 105 27.903 10.245 15.755 837 HZ2 LYS 105 1HZ LYS 105 26.553 10.003 16.638 838 HZ3 LYS 105 2HZ LYS 105 27.845 9.029 16.846 839 H ARG 106 H ARG 106 23.692 6.533 10.815 840 HA ARG 106 HA ARG 106 23.259 4.321 12.643 841 HB2 ARG 106 2HB ARG 106 21.667 6.191 12.517 842 HB3 ARG 106 3HB ARG 106 21.275 5.772 10.847 843 HG2 ARG 106 2HG ARG 106 20.452 3.523 11.643 844 HG3 ARG 106 3HG ARG 106 20.812 4.017 13.304 845 HD2 ARG 106 2HD ARG 106 19.194 5.900 13.054 846 HD3 ARG 106 3HD ARG 106 18.809 5.351 11.424 847 HE ARG 106 HE ARG 106 17.957 4.170 13.973 848 HH11 ARG 106 1HH2 ARG 106 18.160 3.431 10.502 849 HH12 ARG 106 2HH2 ARG 106 16.948 2.157 10.715 850 HH21 ARG 106 1HH1 ARG 106 16.430 2.496 13.973 851 HH22 ARG 106 2HH1 ARG 106 16.093 1.698 12.433 852 H LYS 107 H LYS 107 23.341 2.261 12.200 853 HA LYS 107 HA LYS 107 21.903 1.175 9.896 854 HB2 LYS 107 2HB LYS 107 24.766 0.274 10.478 855 HB3 LYS 107 3HB LYS 107 23.605 -0.602 9.473 856 HG2 LYS 107 2HG LYS 107 23.409 1.568 8.085 857 HG3 LYS 107 3HG LYS 107 24.890 2.086 8.906 858 HD2 LYS 107 2HD LYS 107 24.496 -0.388 7.185 859 HD3 LYS 107 3HD LYS 107 25.348 1.089 6.714 860 HE2 LYS 107 2HE LYS 107 27.032 0.643 8.532 861 HE3 LYS 107 3HE LYS 107 26.182 -0.867 8.900 862 HZ1 LYS 107 3HZ LYS 107 27.536 -0.197 6.348 863 HZ2 LYS 107 1HZ LYS 107 27.956 -1.380 7.395 864 HZ3 LYS 107 2HZ LYS 107 26.566 -1.495 6.518 865 H GLY 108 H GLY 108 21.153 -0.950 10.283 866 HA2 GLY 108 2HA GLY 108 21.532 -2.541 12.600 867 HA3 GLY 108 3HA GLY 108 20.255 -1.379 12.976 868 H ASP 109 H ASP 109 21.224 -3.606 10.348 869 HA ASP 109 HA ASP 109 20.110 -4.783 8.808 870 HB2 ASP 109 2HB ASP 109 19.548 -6.031 10.907 871 HB3 ASP 109 3HB ASP 109 17.974 -5.235 10.905 872 H GLU 110 H GLU 110 19.574 -1.933 8.979 873 HA GLU 110 HA GLU 110 17.382 -1.690 7.001 874 HB2 GLU 110 2HB GLU 110 17.763 0.105 9.438 875 HB3 GLU 110 3HB GLU 110 16.681 0.441 8.086 876 HG2 GLU 110 2HG GLU 110 15.357 -1.578 8.634 877 HG3 GLU 110 3HG GLU 110 16.390 -1.872 10.040 878 H VAL 111 H VAL 111 17.911 -0.270 5.390 879 HA VAL 111 HA VAL 111 19.173 1.028 4.013 880 HB VAL 111 HB VAL 111 19.355 2.843 6.423 881 HG11 VAL 111 1HG1 VAL 111 19.038 4.632 4.736 882 HG12 VAL 111 2HG1 VAL 111 20.468 3.689 4.321 883 HG13 VAL 111 3HG1 VAL 111 18.955 3.421 3.442 884 HG21 VAL 111 3HG2 VAL 111 17.118 3.701 5.718 885 HG22 VAL 111 1HG2 VAL 111 16.994 2.352 4.569 886 HG23 VAL 111 2HG2 VAL 111 17.044 2.050 6.322 887 H ASP 112 H ASP 112 20.784 -0.824 4.308 888 HA ASP 112 HA ASP 112 23.470 0.038 5.204 889 HB2 ASP 112 2HB ASP 112 22.779 -2.218 5.762 890 HB3 ASP 112 3HB ASP 112 22.413 -2.575 4.078 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -8.464 5.533 18.994 2 H2 GLY 1 H2 GLY 1 -9.160 7.015 19.022 3 H3 GLY 1 H3 GLY 1 -7.985 6.642 20.102 4 HA2 GLY 1 2HA GLY 1 -7.085 8.073 18.399 5 HA3 GLY 1 3HA GLY 1 -6.342 6.465 18.355 6 H SER 2 H SER 2 -5.786 6.933 16.130 7 HA SER 2 HA SER 2 -7.880 6.102 14.219 8 HB2 SER 2 2HB SER 2 -7.503 7.923 12.697 9 HB3 SER 2 3HB SER 2 -7.927 8.609 14.269 10 HG SER 2 HG SER 2 -6.143 9.703 13.420 11 H LYS 3 H LYS 3 -6.893 5.751 11.996 12 HA LYS 3 HA LYS 3 -4.531 4.051 12.207 13 HB2 LYS 3 2HB LYS 3 -6.272 4.921 9.858 14 HB3 LYS 3 3HB LYS 3 -4.931 3.787 9.714 15 HG2 LYS 3 2HG LYS 3 -5.997 2.256 11.333 16 HG3 LYS 3 3HG LYS 3 -7.366 3.371 11.491 17 HD2 LYS 3 2HD LYS 3 -7.837 3.113 9.054 18 HD3 LYS 3 3HD LYS 3 -6.516 1.928 8.933 19 HE2 LYS 3 2HE LYS 3 -7.647 0.445 10.532 20 HE3 LYS 3 3HE LYS 3 -8.885 1.668 10.834 21 HZ1 LYS 3 3HZ LYS 3 -9.766 0.081 9.313 22 HZ2 LYS 3 1HZ LYS 3 -9.525 1.440 8.448 23 HZ3 LYS 3 2HZ LYS 3 -8.516 0.155 8.286 24 H ALA 4 H ALA 4 -4.863 7.420 11.519 25 HA ALA 4 HA ALA 4 -2.388 7.493 9.908 26 HB1 ALA 4 1HB ALA 4 -4.429 8.587 9.038 27 HB2 ALA 4 2HB ALA 4 -4.459 9.656 10.456 28 HB3 ALA 4 3HB ALA 4 -3.115 9.749 9.295 29 H GLU 5 H GLU 5 -1.457 6.750 12.117 30 HA GLU 5 HA GLU 5 -1.045 8.725 14.167 31 HB2 GLU 5 2HB GLU 5 0.351 6.108 13.517 32 HB3 GLU 5 3HB GLU 5 0.655 7.060 14.984 33 HG2 GLU 5 2HG GLU 5 -1.823 6.900 15.504 34 HG3 GLU 5 3HG GLU 5 -1.971 5.760 14.161 35 H LYS 6 H LYS 6 1.089 7.645 11.513 36 HA LYS 6 HA LYS 6 2.784 10.090 11.873 37 HB2 LYS 6 2HB LYS 6 3.832 7.257 11.466 38 HB3 LYS 6 3HB LYS 6 4.811 8.730 11.450 39 HG2 LYS 6 2HG LYS 6 4.016 9.215 13.800 40 HG3 LYS 6 3HG LYS 6 3.286 7.605 13.831 41 HD2 LYS 6 2HD LYS 6 6.248 8.230 13.457 42 HD3 LYS 6 3HD LYS 6 5.471 7.660 14.940 43 HE2 LYS 6 2HE LYS 6 4.741 5.586 13.670 44 HE3 LYS 6 3HE LYS 6 5.727 6.141 12.309 45 HZ1 LYS 6 3HZ LYS 6 7.678 6.101 13.832 46 HZ2 LYS 6 1HZ LYS 6 6.742 5.519 15.033 47 HZ3 LYS 6 2HZ LYS 6 6.993 4.620 13.693 48 H THR 7 H THR 7 0.672 8.957 9.869 49 HA THR 7 HA THR 7 1.941 8.486 7.396 50 HB THR 7 HB THR 7 -0.860 9.538 7.823 51 HG1 THR 7 1HG THR 7 -1.307 7.251 7.970 52 HG21 THR 7 1HG2 THR 7 -1.482 8.654 5.817 53 HG22 THR 7 2HG2 THR 7 0.185 8.920 5.378 54 HG23 THR 7 3HG2 THR 7 -0.292 7.330 5.886 55 H LEU 8 H LEU 8 2.224 9.717 5.519 56 HA LEU 8 HA LEU 8 2.418 12.611 5.776 57 HB2 LEU 8 2HB LEU 8 3.381 12.667 3.744 58 HB3 LEU 8 3HB LEU 8 3.763 11.026 4.225 59 HG LEU 8 HG LEU 8 1.564 11.898 2.275 60 HD11 LEU 8 1HD1 LEU 8 4.151 10.391 1.784 61 HD12 LEU 8 2HD1 LEU 8 2.938 10.847 0.574 62 HD13 LEU 8 3HD1 LEU 8 3.867 12.104 1.405 63 HD21 LEU 8 3HD2 LEU 8 1.370 9.467 1.761 64 HD22 LEU 8 1HD2 LEU 8 2.421 9.121 3.159 65 HD23 LEU 8 2HD2 LEU 8 0.831 9.842 3.393 66 H GLY 9 H GLY 9 -0.330 10.690 5.244 67 HA2 GLY 9 2HA GLY 9 -2.531 11.425 5.171 68 HA3 GLY 9 3HA GLY 9 -2.006 13.036 4.703 69 H ASP 10 H ASP 10 -0.993 10.166 2.783 70 HA ASP 10 HA ASP 10 -3.084 10.753 0.797 71 HB2 ASP 10 2HB ASP 10 -0.672 12.014 0.523 72 HB3 ASP 10 3HB ASP 10 -0.367 10.523 -0.378 73 H PHE 11 H PHE 11 -1.150 8.303 2.273 74 HA PHE 11 HA PHE 11 -2.528 6.350 0.595 75 HB2 PHE 11 2HB PHE 11 -0.306 5.057 0.292 76 HB3 PHE 11 3HB PHE 11 -0.790 6.310 -0.798 77 HD1 PHE 11 HD1 PHE 11 1.301 6.169 2.389 78 HD2 PHE 11 HD2 PHE 11 0.862 7.611 -1.657 79 HE1 PHE 11 HE1 PHE 11 3.621 7.017 2.433 80 HE2 PHE 11 HE2 PHE 11 3.156 8.543 -1.565 81 HZ PHE 11 HZ PHE 11 4.548 8.220 0.471 82 H ALA 12 H ALA 12 -2.493 4.180 1.336 83 HA ALA 12 HA ALA 12 -2.345 3.941 4.302 84 HB1 ALA 12 1HB ALA 12 -4.735 3.293 2.540 85 HB2 ALA 12 2HB ALA 12 -4.649 3.142 4.304 86 HB3 ALA 12 3HB ALA 12 -4.585 4.747 3.539 87 H ALA 13 H ALA 13 -2.553 1.809 5.132 88 HA ALA 13 HA ALA 13 -1.991 -0.497 3.347 89 HB1 ALA 13 1HB ALA 13 -0.434 0.295 5.856 90 HB2 ALA 13 2HB ALA 13 -0.122 -1.110 4.799 91 HB3 ALA 13 3HB ALA 13 0.125 0.537 4.193 92 H GLU 14 H GLU 14 -2.968 -2.445 4.046 93 HA GLU 14 HA GLU 14 -4.062 -2.791 6.711 94 HB2 GLU 14 2HB GLU 14 -5.677 -1.202 5.412 95 HB3 GLU 14 3HB GLU 14 -6.019 -2.584 4.372 96 HG2 GLU 14 2HG GLU 14 -6.864 -3.844 6.327 97 HG3 GLU 14 3HG GLU 14 -6.343 -2.552 7.409 98 H TYR 15 H TYR 15 -5.142 -5.064 6.754 99 HA TYR 15 HA TYR 15 -4.014 -6.843 4.689 100 HB2 TYR 15 2HB TYR 15 -5.734 -7.367 7.119 101 HB3 TYR 15 3HB TYR 15 -5.184 -8.606 5.993 102 HD1 TYR 15 HD1 TYR 15 -2.545 -8.402 5.393 103 HD2 TYR 15 HD2 TYR 15 -4.336 -6.913 9.007 104 HE1 TYR 15 HE1 TYR 15 -0.417 -8.848 6.630 105 HE2 TYR 15 HE2 TYR 15 -2.223 -7.353 10.239 106 HH TYR 15 HH TYR 15 0.647 -8.784 8.614 107 H ALA 16 H ALA 16 -5.082 -7.956 3.155 108 HA ALA 16 HA ALA 16 -7.406 -6.772 1.990 109 HB1 ALA 16 1HB ALA 16 -5.636 -7.786 0.689 110 HB2 ALA 16 2HB ALA 16 -5.946 -9.353 1.459 111 HB3 ALA 16 3HB ALA 16 -7.169 -8.635 0.379 112 H LYS 17 H LYS 17 -9.395 -6.940 2.802 113 HA LYS 17 HA LYS 17 -10.247 -9.051 4.611 114 HB2 LYS 17 2HB LYS 17 -11.603 -6.629 3.366 115 HB3 LYS 17 3HB LYS 17 -12.431 -7.708 4.495 116 HG2 LYS 17 2HG LYS 17 -10.998 -7.182 6.299 117 HG3 LYS 17 3HG LYS 17 -9.767 -6.459 5.255 118 HD2 LYS 17 2HD LYS 17 -11.210 -4.586 4.714 119 HD3 LYS 17 3HD LYS 17 -12.543 -5.274 5.670 120 HE2 LYS 17 2HE LYS 17 -11.375 -4.988 7.724 121 HE3 LYS 17 3HE LYS 17 -9.820 -4.759 6.911 122 HZ1 LYS 17 3HZ LYS 17 -12.047 -2.819 6.644 123 HZ2 LYS 17 1HZ LYS 17 -10.827 -2.662 7.727 124 HZ3 LYS 17 2HZ LYS 17 -10.480 -2.645 6.138 125 H SER 18 H SER 18 -10.519 -8.687 1.185 126 HA SER 18 HA SER 18 -11.768 -11.317 0.953 127 HB2 SER 18 2HB SER 18 -13.613 -10.669 -0.430 128 HB3 SER 18 3HB SER 18 -13.739 -9.748 1.073 129 HG SER 18 HG SER 18 -13.014 -7.934 0.020 130 H ASN 19 H ASN 19 -11.717 -12.124 -1.289 131 HA ASN 19 HA ASN 19 -9.374 -11.279 -2.780 132 HB2 ASN 19 2HB ASN 19 -11.545 -13.275 -3.536 133 HB3 ASN 19 3HB ASN 19 -9.962 -13.118 -4.288 134 HD21 ASN 19 2HD2 ASN 19 -8.146 -14.190 -3.310 135 HD22 ASN 19 1HD2 ASN 19 -8.386 -15.141 -1.856 136 H ARG 20 H ARG 20 -12.174 -9.625 -2.576 137 HA ARG 20 HA ARG 20 -12.808 -9.251 -5.424 138 HB2 ARG 20 2HB ARG 20 -13.923 -7.812 -2.988 139 HB3 ARG 20 3HB ARG 20 -14.590 -7.798 -4.612 140 HG2 ARG 20 2HG ARG 20 -14.459 -10.212 -2.753 141 HG3 ARG 20 3HG ARG 20 -15.883 -9.252 -3.149 142 HD2 ARG 20 2HD ARG 20 -15.670 -9.936 -5.535 143 HD3 ARG 20 3HD ARG 20 -14.283 -10.960 -5.099 144 HE ARG 20 HE ARG 20 -16.455 -11.665 -3.416 145 HH11 ARG 20 1HH2 ARG 20 -15.662 -11.952 -6.818 146 HH12 ARG 20 2HH2 ARG 20 -16.646 -13.376 -7.017 147 HH21 ARG 20 1HH1 ARG 20 -17.691 -13.481 -3.744 148 HH22 ARG 20 2HH1 ARG 20 -17.761 -14.211 -5.320 149 H SER 21 H SER 21 -10.811 -7.607 -3.107 150 HA SER 21 HA SER 21 -10.600 -5.015 -4.364 151 HB2 SER 21 2HB SER 21 -8.615 -6.637 -2.718 152 HB3 SER 21 3HB SER 21 -8.333 -4.970 -3.254 153 HG SER 21 HG SER 21 -10.556 -5.805 -1.675 154 H THR 22 H THR 22 -8.891 -4.217 -5.835 155 HA THR 22 HA THR 22 -7.461 -6.297 -7.395 156 HB THR 22 HB THR 22 -9.110 -4.174 -8.757 157 HG1 THR 22 1HG THR 22 -10.541 -5.547 -7.931 158 HG21 THR 22 1HG2 THR 22 -7.783 -6.671 -9.878 159 HG22 THR 22 2HG2 THR 22 -8.757 -5.506 -10.788 160 HG23 THR 22 3HG2 THR 22 -7.199 -5.008 -10.126 161 H CYS 23 HN CYS 23 -5.559 -5.738 -8.117 162 HA CYS 23 HA CYS 23 -4.306 -3.352 -7.089 163 HB2 CYS 23 2HB CYS 23 -3.265 -5.518 -6.988 164 HB3 CYS 23 3HB CYS 23 -3.469 -5.739 -8.727 165 H LYS 24 H LYS 24 -4.561 -1.495 -8.092 166 HA LYS 24 HA LYS 24 -4.929 -1.190 -10.982 167 HB2 LYS 24 2HB LYS 24 -4.577 0.693 -8.646 168 HB3 LYS 24 3HB LYS 24 -4.418 1.290 -10.298 169 HG2 LYS 24 2HG LYS 24 -6.678 1.640 -9.608 170 HG3 LYS 24 3HG LYS 24 -6.645 0.436 -10.883 171 HD2 LYS 24 2HD LYS 24 -7.104 -1.355 -9.299 172 HD3 LYS 24 3HD LYS 24 -6.824 -0.275 -7.928 173 HE2 LYS 24 2HE LYS 24 -9.187 -0.615 -8.153 174 HE3 LYS 24 3HE LYS 24 -8.818 1.060 -8.564 175 HZ1 LYS 24 3HZ LYS 24 -10.373 0.056 -10.144 176 HZ2 LYS 24 1HZ LYS 24 -9.001 0.451 -10.925 177 HZ3 LYS 24 2HZ LYS 24 -9.312 -1.113 -10.541 178 H GLY 25 H GLY 25 -2.224 -1.787 -9.056 179 HA2 GLY 25 2HA GLY 25 -0.181 -0.501 -10.661 180 HA3 GLY 25 3HA GLY 25 0.050 -1.792 -9.478 181 H CYS 26 HN CYS 26 -1.581 -3.799 -10.681 182 HA CYS 26 HA CYS 26 -0.315 -4.208 -13.333 183 HB2 CYS 26 2HB CYS 26 0.447 -6.380 -12.852 184 HB3 CYS 26 3HB CYS 26 1.064 -5.301 -11.604 185 H MET 27 H MET 27 -3.289 -4.048 -12.010 186 HA MET 27 HA MET 27 -5.357 -4.686 -12.604 187 HB2 MET 27 2HB MET 27 -4.125 -5.336 -15.294 188 HB3 MET 27 3HB MET 27 -5.852 -5.291 -14.962 189 HG2 MET 27 2HG MET 27 -4.169 -2.854 -14.402 190 HG3 MET 27 3HG MET 27 -4.681 -3.262 -16.038 191 HE1 MET 27 3HE MET 27 -6.103 -2.746 -12.370 192 HE2 MET 27 1HE MET 27 -5.462 -1.242 -13.069 193 HE3 MET 27 2HE MET 27 -7.205 -1.401 -12.747 194 H GLU 28 H GLU 28 -4.256 -6.407 -10.940 195 HA GLU 28 HA GLU 28 -5.639 -8.913 -11.719 196 HB2 GLU 28 2HB GLU 28 -2.850 -8.779 -10.519 197 HB3 GLU 28 3HB GLU 28 -3.873 -10.192 -10.354 198 HG2 GLU 28 2HG GLU 28 -2.967 -8.988 -12.984 199 HG3 GLU 28 3HG GLU 28 -2.263 -10.398 -12.186 200 H LYS 29 H LYS 29 -6.411 -10.137 -9.944 201 HA LYS 29 HA LYS 29 -7.488 -8.220 -8.011 202 HB2 LYS 29 2HB LYS 29 -8.209 -11.137 -8.158 203 HB3 LYS 29 3HB LYS 29 -8.999 -9.824 -7.258 204 HG2 LYS 29 2HG LYS 29 -9.334 -8.649 -9.526 205 HG3 LYS 29 3HG LYS 29 -8.841 -10.166 -10.276 206 HD2 LYS 29 2HD LYS 29 -11.246 -10.118 -10.240 207 HD3 LYS 29 3HD LYS 29 -10.704 -11.336 -9.088 208 HE2 LYS 29 2HE LYS 29 -12.520 -10.119 -8.080 209 HE3 LYS 29 3HE LYS 29 -11.037 -9.698 -7.225 210 HZ1 LYS 29 3HZ LYS 29 -12.408 -8.023 -9.264 211 HZ2 LYS 29 1HZ LYS 29 -12.267 -7.695 -7.660 212 HZ3 LYS 29 2HZ LYS 29 -10.956 -7.641 -8.609 213 H ILE 30 H ILE 30 -7.159 -8.000 -5.948 214 HA ILE 30 HA ILE 30 -4.654 -9.016 -4.818 215 HB ILE 30 HB ILE 30 -6.737 -7.001 -3.958 216 HG12 ILE 30 2HG1 ILE 30 -3.776 -6.646 -4.604 217 HG13 ILE 30 3HG1 ILE 30 -5.034 -6.536 -5.824 218 HG21 ILE 30 1HG2 ILE 30 -5.374 -6.400 -2.049 219 HG22 ILE 30 2HG2 ILE 30 -5.834 -8.086 -1.885 220 HG23 ILE 30 3HG2 ILE 30 -4.191 -7.668 -2.433 221 HD11 ILE 30 3HD1 ILE 30 -6.087 -4.659 -4.601 222 HD12 ILE 30 1HD1 ILE 30 -4.746 -4.697 -3.423 223 HD13 ILE 30 2HD1 ILE 30 -4.428 -4.332 -5.126 224 H GLU 31 H GLU 31 -4.454 -10.708 -3.505 225 HA GLU 31 HA GLU 31 -6.755 -12.366 -2.966 226 HB2 GLU 31 2HB GLU 31 -3.839 -12.633 -2.144 227 HB3 GLU 31 3HB GLU 31 -5.053 -13.886 -1.908 228 HG2 GLU 31 2HG GLU 31 -4.289 -12.793 -4.648 229 HG3 GLU 31 3HG GLU 31 -3.484 -14.139 -3.859 230 H LYS 32 H LYS 32 -7.703 -12.922 -1.120 231 HA LYS 32 HA LYS 32 -7.780 -11.159 1.135 232 HB2 LYS 32 2HB LYS 32 -9.611 -12.710 0.456 233 HB3 LYS 32 3HB LYS 32 -8.630 -14.085 0.978 234 HG2 LYS 32 2HG LYS 32 -8.645 -13.191 3.309 235 HG3 LYS 32 3HG LYS 32 -9.601 -11.800 2.757 236 HD2 LYS 32 2HD LYS 32 -11.409 -13.360 2.064 237 HD3 LYS 32 3HD LYS 32 -10.429 -14.725 2.648 238 HE2 LYS 32 2HE LYS 32 -10.435 -13.752 4.932 239 HE3 LYS 32 3HE LYS 32 -11.393 -12.383 4.355 240 HZ1 LYS 32 3HZ LYS 32 -12.794 -14.075 5.390 241 HZ2 LYS 32 1HZ LYS 32 -13.183 -13.940 3.814 242 HZ3 LYS 32 2HZ LYS 32 -12.299 -15.214 4.333 243 H GLY 33 H GLY 33 -6.920 -11.256 3.132 244 HA2 GLY 33 2HA GLY 33 -5.629 -11.893 4.927 245 HA3 GLY 33 3HA GLY 33 -5.443 -13.482 4.187 246 H GLN 34 H GLN 34 -4.231 -11.002 2.097 247 HA GLN 34 HA GLN 34 -1.585 -10.953 3.427 248 HB2 GLN 34 2HB GLN 34 -0.434 -10.936 1.302 249 HB3 GLN 34 3HB GLN 34 -1.291 -12.431 1.599 250 HG2 GLN 34 2HG GLN 34 -1.530 -11.969 -0.726 251 HG3 GLN 34 3HG GLN 34 -3.097 -11.685 -0.001 252 HE21 GLN 34 2HE2 GLN 34 -4.009 -9.610 -0.326 253 HE22 GLN 34 1HE2 GLN 34 -3.004 -8.184 -0.399 254 H VAL 35 H VAL 35 -0.343 -8.892 2.688 255 HA VAL 35 HA VAL 35 -2.008 -6.714 3.584 256 HB VAL 35 HB VAL 35 0.818 -6.722 2.486 257 HG11 VAL 35 1HG1 VAL 35 -0.055 -4.445 2.247 258 HG12 VAL 35 2HG1 VAL 35 -0.691 -4.484 3.911 259 HG13 VAL 35 3HG1 VAL 35 1.057 -4.513 3.606 260 HG21 VAL 35 3HG2 VAL 35 -0.235 -6.540 5.337 261 HG22 VAL 35 1HG2 VAL 35 0.547 -7.963 4.611 262 HG23 VAL 35 2HG2 VAL 35 1.465 -6.477 4.835 263 H ARG 36 H ARG 36 -2.821 -4.927 2.551 264 HA ARG 36 HA ARG 36 -2.441 -4.622 -0.378 265 HB2 ARG 36 2HB ARG 36 -4.749 -3.959 -0.700 266 HB3 ARG 36 3HB ARG 36 -4.626 -5.627 -0.137 267 HG2 ARG 36 2HG ARG 36 -5.376 -5.042 2.080 268 HG3 ARG 36 3HG ARG 36 -5.307 -3.319 1.719 269 HD2 ARG 36 2HD ARG 36 -7.051 -3.627 -0.035 270 HD3 ARG 36 3HD ARG 36 -7.194 -5.324 0.422 271 HE ARG 36 HE ARG 36 -7.525 -3.896 2.810 272 HH11 ARG 36 1HH2 ARG 36 -9.344 -4.033 -0.220 273 HH12 ARG 36 2HH2 ARG 36 -10.698 -3.222 0.497 274 HH21 ARG 36 1HH1 ARG 36 -9.305 -2.849 3.620 275 HH22 ARG 36 2HH1 ARG 36 -10.696 -2.625 2.590 276 H LEU 37 H LEU 37 -2.010 -2.590 -1.019 277 HA LEU 37 HA LEU 37 -2.079 -0.425 1.037 278 HB2 LEU 37 2HB LEU 37 -0.215 -0.509 -1.352 279 HB3 LEU 37 3HB LEU 37 -0.239 0.608 0.035 280 HG LEU 37 HG LEU 37 1.640 -0.628 0.320 281 HD11 LEU 37 1HD1 LEU 37 1.389 -1.640 2.440 282 HD12 LEU 37 2HD1 LEU 37 0.184 -0.343 2.275 283 HD13 LEU 37 3HD1 LEU 37 -0.319 -2.034 2.144 284 HD21 LEU 37 3HD2 LEU 37 0.156 -3.283 0.098 285 HD22 LEU 37 1HD2 LEU 37 1.113 -2.542 -1.199 286 HD23 LEU 37 2HD2 LEU 37 1.884 -3.002 0.337 287 H SER 38 H SER 38 -2.640 1.721 0.266 288 HA SER 38 HA SER 38 -3.582 1.880 -2.494 289 HB2 SER 38 2HB SER 38 -5.765 2.889 -1.895 290 HB3 SER 38 3HB SER 38 -5.617 1.215 -1.370 291 HG SER 38 HG SER 38 -6.455 2.392 0.327 292 H LYS 39 H LYS 39 -3.961 3.950 -3.335 293 HA LYS 39 HA LYS 39 -2.839 6.240 -1.747 294 HB2 LYS 39 2HB LYS 39 -1.467 5.916 -3.656 295 HB3 LYS 39 3HB LYS 39 -2.859 5.791 -4.743 296 HG2 LYS 39 2HG LYS 39 -3.381 8.118 -4.533 297 HG3 LYS 39 3HG LYS 39 -2.258 8.334 -3.167 298 HD2 LYS 39 2HD LYS 39 -0.342 7.933 -4.595 299 HD3 LYS 39 3HD LYS 39 -1.402 7.494 -5.954 300 HE2 LYS 39 2HE LYS 39 -0.858 9.605 -6.576 301 HE3 LYS 39 3HE LYS 39 -2.355 9.920 -5.697 302 HZ1 LYS 39 3HZ LYS 39 -1.022 10.618 -3.787 303 HZ2 LYS 39 1HZ LYS 39 0.380 10.175 -4.548 304 HZ3 LYS 39 2HZ LYS 39 -0.512 11.433 -5.095 305 H LYS 40 H LYS 40 -4.099 7.845 -1.250 306 HA LYS 40 HA LYS 40 -6.949 7.831 -2.108 307 HB2 LYS 40 2HB LYS 40 -6.750 7.716 0.191 308 HB3 LYS 40 3HB LYS 40 -5.486 8.907 0.288 309 HG2 LYS 40 2HG LYS 40 -8.339 9.563 -0.634 310 HG3 LYS 40 3HG LYS 40 -7.877 9.518 1.060 311 HD2 LYS 40 2HD LYS 40 -7.003 11.520 -1.026 312 HD3 LYS 40 3HD LYS 40 -7.834 11.787 0.505 313 HE2 LYS 40 2HE LYS 40 -5.821 11.165 1.761 314 HE3 LYS 40 3HE LYS 40 -4.983 10.777 0.241 315 HZ1 LYS 40 3HZ LYS 40 -4.506 12.985 1.295 316 HZ2 LYS 40 1HZ LYS 40 -4.720 12.946 -0.300 317 HZ3 LYS 40 2HZ LYS 40 -5.941 13.516 0.690 318 H MET 41 H MET 41 -7.416 9.061 -3.833 319 HA MET 41 HA MET 41 -6.400 11.808 -4.021 320 HB2 MET 41 2HB MET 41 -5.342 11.543 -6.222 321 HB3 MET 41 3HB MET 41 -4.505 10.604 -4.989 322 HG2 MET 41 2HG MET 41 -5.651 8.546 -5.769 323 HG3 MET 41 3HG MET 41 -6.500 9.486 -7.000 324 HE1 MET 41 3HE MET 41 -5.829 7.857 -8.826 325 HE2 MET 41 1HE MET 41 -4.161 7.312 -9.139 326 HE3 MET 41 2HE MET 41 -4.965 6.872 -7.615 327 H VAL 42 H VAL 42 -7.756 13.175 -5.289 328 HA VAL 42 HA VAL 42 -10.158 12.353 -6.425 329 HB VAL 42 HB VAL 42 -8.415 14.635 -7.427 330 HG11 VAL 42 1HG1 VAL 42 -10.594 15.654 -8.079 331 HG12 VAL 42 2HG1 VAL 42 -10.267 14.170 -8.968 332 HG13 VAL 42 3HG1 VAL 42 -11.422 14.152 -7.616 333 HG21 VAL 42 3HG2 VAL 42 -9.765 16.063 -5.915 334 HG22 VAL 42 1HG2 VAL 42 -10.545 14.618 -5.244 335 HG23 VAL 42 2HG2 VAL 42 -8.802 14.899 -5.016 336 H ASP 43 H ASP 43 -10.734 11.249 -8.231 337 HA ASP 43 HA ASP 43 -8.717 10.145 -10.021 338 HB2 ASP 43 2HB ASP 43 -10.701 8.881 -9.323 339 HB3 ASP 43 3HB ASP 43 -11.751 10.049 -10.120 340 HA PRO 44 HA PRO 44 -8.815 13.660 -12.714 341 HB2 PRO 44 2HB PRO 44 -7.229 12.790 -14.786 342 HB3 PRO 44 3HB PRO 44 -6.598 13.116 -13.143 343 HG2 PRO 44 2HG PRO 44 -7.476 10.436 -14.291 344 HG3 PRO 44 3HG PRO 44 -5.930 10.828 -13.459 345 HD2 PRO 44 2HD PRO 44 -7.999 9.707 -12.143 346 HD3 PRO 44 3HD PRO 44 -6.988 10.965 -11.366 347 H GLU 45 H GLU 45 -10.320 10.711 -13.724 348 HA GLU 45 HA GLU 45 -11.634 12.081 -16.054 349 HB2 GLU 45 2HB GLU 45 -11.417 9.123 -15.374 350 HB3 GLU 45 3HB GLU 45 -12.351 9.807 -16.708 351 HG2 GLU 45 2HG GLU 45 -10.248 10.814 -17.632 352 HG3 GLU 45 3HG GLU 45 -9.327 9.997 -16.368 353 H LYS 46 H LYS 46 -12.068 11.182 -12.833 354 HA LYS 46 HA LYS 46 -14.993 11.774 -12.916 355 HB2 LYS 46 2HB LYS 46 -13.712 9.607 -11.197 356 HB3 LYS 46 3HB LYS 46 -15.419 10.039 -11.233 357 HG2 LYS 46 2HG LYS 46 -13.875 8.831 -13.549 358 HG3 LYS 46 3HG LYS 46 -14.890 7.937 -12.424 359 HD2 LYS 46 2HD LYS 46 -16.898 8.927 -13.194 360 HD3 LYS 46 3HD LYS 46 -16.057 10.257 -14.011 361 HE2 LYS 46 2HE LYS 46 -14.943 8.658 -15.518 362 HE3 LYS 46 3HE LYS 46 -15.838 7.322 -14.772 363 HZ1 LYS 46 3HZ LYS 46 -16.938 8.090 -16.809 364 HZ2 LYS 46 1HZ LYS 46 -17.909 8.388 -15.531 365 HZ3 LYS 46 2HZ LYS 46 -17.071 9.609 -16.227 366 HA PRO 47 HA PRO 47 -12.568 14.250 -9.704 367 HB2 PRO 47 2HB PRO 47 -13.060 16.797 -10.649 368 HB3 PRO 47 3HB PRO 47 -11.646 15.800 -11.107 369 HG2 PRO 47 2HG PRO 47 -14.270 16.105 -12.609 370 HG3 PRO 47 3HG PRO 47 -12.596 16.224 -13.257 371 HD2 PRO 47 2HD PRO 47 -14.007 13.947 -13.494 372 HD3 PRO 47 3HD PRO 47 -12.263 13.906 -13.095 373 H GLN 48 H GLN 48 -15.772 14.284 -11.079 374 HA GLN 48 HA GLN 48 -17.193 15.832 -9.152 375 HB2 GLN 48 2HB GLN 48 -18.158 13.394 -10.722 376 HB3 GLN 48 3HB GLN 48 -19.151 14.601 -9.923 377 HG2 GLN 48 2HG GLN 48 -19.275 15.258 -12.132 378 HG3 GLN 48 3HG GLN 48 -18.067 16.353 -11.475 379 HE21 GLN 48 2HE2 GLN 48 -17.863 16.409 -14.056 380 HE22 GLN 48 1HE2 GLN 48 -16.650 15.304 -14.691 381 H LEU 49 H LEU 49 -15.839 12.554 -8.908 382 HA LEU 49 HA LEU 49 -17.368 11.712 -6.573 383 HB2 LEU 49 2HB LEU 49 -14.592 10.984 -7.614 384 HB3 LEU 49 3HB LEU 49 -15.411 10.133 -6.318 385 HG LEU 49 HG LEU 49 -16.435 10.266 -9.184 386 HD11 LEU 49 1HD1 LEU 49 -14.264 9.058 -8.867 387 HD12 LEU 49 2HD1 LEU 49 -15.035 8.051 -7.632 388 HD13 LEU 49 3HD1 LEU 49 -15.591 7.968 -9.328 389 HD21 LEU 49 3HD2 LEU 49 -17.296 8.651 -6.743 390 HD22 LEU 49 1HD2 LEU 49 -18.249 9.898 -7.576 391 HD23 LEU 49 2HD2 LEU 49 -17.877 8.378 -8.407 392 H GLY 50 H GLY 50 -14.568 13.799 -7.032 393 HA2 GLY 50 2HA GLY 50 -12.965 14.621 -5.566 394 HA3 GLY 50 3HA GLY 50 -13.897 14.029 -4.188 395 H MET 51 H MET 51 -12.344 12.889 -3.199 396 HA MET 51 HA MET 51 -10.277 11.461 -4.465 397 HB2 MET 51 2HB MET 51 -10.772 11.368 -1.498 398 HB3 MET 51 3HB MET 51 -9.253 11.378 -2.397 399 HG2 MET 51 2HG MET 51 -10.063 13.798 -3.143 400 HG3 MET 51 3HG MET 51 -11.137 13.658 -1.755 401 HE1 MET 51 3HE MET 51 -6.582 14.100 -1.870 402 HE2 MET 51 1HE MET 51 -7.580 13.054 -2.917 403 HE3 MET 51 2HE MET 51 -7.724 14.819 -3.024 404 H ILE 52 H ILE 52 -9.938 9.365 -4.783 405 HA ILE 52 HA ILE 52 -11.712 7.351 -3.515 406 HB ILE 52 HB ILE 52 -11.301 5.942 -5.595 407 HG12 ILE 52 2HG1 ILE 52 -11.029 7.108 -7.733 408 HG13 ILE 52 3HG1 ILE 52 -10.632 8.614 -6.911 409 HG21 ILE 52 1HG2 ILE 52 -12.992 8.443 -5.909 410 HG22 ILE 52 2HG2 ILE 52 -13.195 6.885 -6.744 411 HG23 ILE 52 3HG2 ILE 52 -13.434 6.977 -4.993 412 HD11 ILE 52 3HD1 ILE 52 -8.531 7.666 -6.105 413 HD12 ILE 52 1HD1 ILE 52 -9.015 6.046 -6.642 414 HD13 ILE 52 2HD1 ILE 52 -8.663 7.335 -7.825 415 H ASP 53 H ASP 53 -10.742 5.143 -3.521 416 HA ASP 53 HA ASP 53 -7.934 5.296 -2.504 417 HB2 ASP 53 2HB ASP 53 -10.197 3.397 -1.790 418 HB3 ASP 53 3HB ASP 53 -8.542 3.290 -1.192 419 H ARG 54 H ARG 54 -6.824 4.924 -4.321 420 HA ARG 54 HA ARG 54 -7.351 2.739 -6.220 421 HB2 ARG 54 2HB ARG 54 -5.923 5.161 -6.269 422 HB3 ARG 54 3HB ARG 54 -4.636 3.987 -6.161 423 HG2 ARG 54 2HG ARG 54 -5.032 4.527 -8.450 424 HG3 ARG 54 3HG ARG 54 -5.486 2.841 -8.183 425 HD2 ARG 54 2HD ARG 54 -7.820 3.350 -8.342 426 HD3 ARG 54 3HD ARG 54 -7.544 5.034 -7.879 427 HE ARG 54 HE ARG 54 -6.322 4.481 -10.433 428 HH11 ARG 54 1HH2 ARG 54 -9.501 5.120 -9.028 429 HH12 ARG 54 2HH2 ARG 54 -9.895 6.213 -10.360 430 HH21 ARG 54 1HH1 ARG 54 -7.102 5.827 -12.137 431 HH22 ARG 54 2HH1 ARG 54 -8.709 6.528 -11.930 432 H TRP 55 H TRP 55 -7.063 0.630 -5.506 433 HA TRP 55 HA TRP 55 -5.057 0.068 -3.439 434 HB2 TRP 55 2HB TRP 55 -7.116 -1.715 -4.748 435 HB3 TRP 55 3HB TRP 55 -5.996 -2.233 -3.498 436 HD1 TRP 55 HD1 TRP 55 -9.249 -0.444 -3.975 437 HE1 TRP 55 HE1 TRP 55 -10.283 0.190 -1.721 438 HE3 TRP 55 HE3 TRP 55 -5.270 -1.519 -0.905 439 HZ2 TRP 55 HZ2 TRP 55 -9.468 0.325 1.039 440 HZ3 TRP 55 HZ3 TRP 55 -5.405 -1.022 1.520 441 HH2 TRP 55 HH2 TRP 55 -7.497 -0.126 2.508 442 H TYR 56 H TYR 56 -3.477 -1.484 -3.505 443 HA TYR 56 HA TYR 56 -2.356 -2.515 -6.038 444 HB2 TYR 56 2HB TYR 56 -0.898 -0.844 -3.941 445 HB3 TYR 56 3HB TYR 56 -0.170 -1.572 -5.369 446 HD1 TYR 56 HD2 TYR 56 -0.995 -0.832 -7.653 447 HD2 TYR 56 HD1 TYR 56 -1.888 1.346 -4.065 448 HE1 TYR 56 HE2 TYR 56 -1.589 1.188 -9.027 449 HE2 TYR 56 HE1 TYR 56 -2.507 3.337 -5.421 450 HH TYR 56 HH TYR 56 -2.691 4.226 -7.541 451 H HIS 57 H HIS 57 -0.840 -4.164 -5.746 452 HA HIS 57 HA HIS 57 -0.948 -5.927 -3.382 453 HB2 HIS 57 2HB HIS 57 0.885 -5.914 -5.801 454 HB3 HIS 57 3HB HIS 57 0.975 -7.099 -4.526 455 HD2 HIS 57 HD2 HIS 57 -1.471 -8.496 -4.048 456 HE1 HIS 57 HE1 HIS 57 -2.493 -8.463 -8.172 457 HE2 HIS 57 HE2 HIS 57 -2.937 -9.592 -5.956 458 HA PRO 58 HA PRO 58 2.722 -4.181 -1.237 459 HB2 PRO 58 2HB PRO 58 3.606 -7.043 -0.960 460 HB3 PRO 58 3HB PRO 58 3.509 -5.762 0.290 461 HG2 PRO 58 2HG PRO 58 1.585 -7.648 0.188 462 HG3 PRO 58 3HG PRO 58 1.114 -5.919 0.358 463 HD2 PRO 58 2HD PRO 58 1.221 -7.574 -2.184 464 HD3 PRO 58 3HD PRO 58 -0.122 -6.577 -1.556 465 H GLY 59 H GLY 59 3.171 -6.453 -3.867 466 HA2 GLY 59 2HA GLY 59 5.997 -5.734 -4.313 467 HA3 GLY 59 3HA GLY 59 4.995 -6.801 -5.301 468 H CYS 60 HN CYS 60 2.842 -4.623 -5.478 469 HA CYS 60 HA CYS 60 4.006 -3.351 -7.864 470 HB2 CYS 60 2HB CYS 60 1.132 -3.540 -6.953 471 HB3 CYS 60 3HB CYS 60 1.712 -3.044 -8.549 472 H PHE 61 H PHE 61 2.433 -2.298 -4.830 473 HA PHE 61 HA PHE 61 2.258 0.443 -5.536 474 HB2 PHE 61 2HB PHE 61 1.602 0.780 -3.424 475 HB3 PHE 61 3HB PHE 61 1.477 -0.974 -3.406 476 HD1 PHE 61 HD2 PHE 61 3.263 -2.336 -2.371 477 HD2 PHE 61 HD1 PHE 61 3.264 1.944 -2.108 478 HE1 PHE 61 HE2 PHE 61 4.804 -2.471 -0.405 479 HE2 PHE 61 HE1 PHE 61 4.781 1.829 -0.125 480 HZ PHE 61 HZ PHE 61 5.551 -0.380 0.723 481 H VAL 62 H VAL 62 5.017 -1.421 -4.330 482 HA VAL 62 HA VAL 62 6.976 0.664 -4.287 483 HB VAL 62 HB VAL 62 7.352 -2.294 -4.880 484 HG11 VAL 62 1HG1 VAL 62 9.653 -1.924 -4.004 485 HG12 VAL 62 2HG1 VAL 62 9.367 -1.041 -5.501 486 HG13 VAL 62 3HG1 VAL 62 9.340 -0.178 -3.942 487 HG21 VAL 62 3HG2 VAL 62 6.260 -2.002 -2.729 488 HG22 VAL 62 1HG2 VAL 62 7.941 -2.415 -2.455 489 HG23 VAL 62 2HG2 VAL 62 7.407 -0.730 -2.263 490 H LYS 63 H LYS 63 5.881 -1.395 -7.042 491 HA LYS 63 HA LYS 63 7.919 -0.457 -8.879 492 HB2 LYS 63 2HB LYS 63 5.232 -1.813 -9.297 493 HB3 LYS 63 3HB LYS 63 6.293 -1.352 -10.627 494 HG2 LYS 63 2HG LYS 63 8.116 -2.744 -9.649 495 HG3 LYS 63 3HG LYS 63 6.995 -3.324 -8.423 496 HD2 LYS 63 2HD LYS 63 6.715 -3.644 -11.444 497 HD3 LYS 63 3HD LYS 63 7.245 -4.909 -10.345 498 HE2 LYS 63 2HE LYS 63 4.495 -3.590 -10.178 499 HE3 LYS 63 3HE LYS 63 4.816 -5.007 -11.171 500 HZ1 LYS 63 3HZ LYS 63 5.335 -6.279 -9.247 501 HZ2 LYS 63 1HZ LYS 63 5.357 -4.965 -8.260 502 HZ3 LYS 63 2HZ LYS 63 3.937 -5.482 -8.894 503 H ASN 64 H ASN 64 4.681 0.789 -8.095 504 HA ASN 64 HA ASN 64 5.130 3.049 -9.982 505 HB2 ASN 64 2HB ASN 64 2.543 3.387 -9.197 506 HB3 ASN 64 3HB ASN 64 3.121 2.686 -10.683 507 HD21 ASN 64 1HD2 ASN 64 1.741 1.890 -7.489 508 HD22 ASN 64 2HD2 ASN 64 1.218 0.301 -8.041 509 H ARG 65 H ARG 65 6.165 2.560 -6.991 510 HA ARG 65 HA ARG 65 5.123 4.437 -5.304 511 HB2 ARG 65 2HB ARG 65 7.201 4.377 -4.124 512 HB3 ARG 65 3HB ARG 65 6.985 2.808 -4.862 513 HG2 ARG 65 2HG ARG 65 8.489 3.622 -6.780 514 HG3 ARG 65 3HG ARG 65 8.811 5.068 -5.803 515 HD2 ARG 65 2HD ARG 65 9.771 3.761 -4.042 516 HD3 ARG 65 3HD ARG 65 9.351 2.238 -4.842 517 HE ARG 65 HE ARG 65 11.611 3.991 -5.409 518 HH11 ARG 65 1HH2 ARG 65 9.598 1.515 -6.907 519 HH12 ARG 65 2HH2 ARG 65 10.860 1.081 -8.033 520 HH21 ARG 65 1HH1 ARG 65 13.135 3.380 -6.893 521 HH22 ARG 65 2HH1 ARG 65 12.788 2.114 -8.030 522 H GLU 66 H GLU 66 7.317 5.147 -7.957 523 HA GLU 66 HA GLU 66 7.640 7.937 -7.249 524 HB2 GLU 66 2HB GLU 66 8.979 8.048 -9.312 525 HB3 GLU 66 3HB GLU 66 9.474 6.760 -8.204 526 HG2 GLU 66 2HG GLU 66 8.392 5.062 -9.581 527 HG3 GLU 66 3HG GLU 66 7.724 6.296 -10.657 528 H GLU 67 H GLU 67 5.343 6.175 -9.145 529 HA GLU 67 HA GLU 67 4.156 8.561 -10.395 530 HB2 GLU 67 2HB GLU 67 4.161 6.383 -11.558 531 HB3 GLU 67 3HB GLU 67 3.148 5.700 -10.280 532 HG2 GLU 67 2HG GLU 67 1.339 7.251 -10.814 533 HG3 GLU 67 3HG GLU 67 2.367 8.116 -11.963 534 H LEU 68 H LEU 68 3.555 6.320 -7.649 535 HA LEU 68 HA LEU 68 1.227 7.693 -6.643 536 HB2 LEU 68 2HB LEU 68 3.248 5.945 -5.196 537 HB3 LEU 68 3HB LEU 68 1.669 6.404 -4.573 538 HG LEU 68 HG LEU 68 2.214 4.604 -6.968 539 HD11 LEU 68 1HD1 LEU 68 1.173 2.871 -5.550 540 HD12 LEU 68 2HD1 LEU 68 2.645 3.531 -4.818 541 HD13 LEU 68 3HD1 LEU 68 1.047 4.037 -4.222 542 HD21 LEU 68 3HD2 LEU 68 0.138 5.905 -7.340 543 HD22 LEU 68 1HD2 LEU 68 -0.122 4.185 -7.109 544 HD23 LEU 68 2HD2 LEU 68 -0.475 5.301 -5.773 545 H GLY 69 H GLY 69 4.674 8.334 -6.203 546 HA2 GLY 69 2HA GLY 69 5.331 10.632 -5.916 547 HA3 GLY 69 3HA GLY 69 3.929 10.929 -4.897 548 H PHE 70 H PHE 70 5.792 8.020 -4.304 549 HA PHE 70 HA PHE 70 6.470 8.723 -1.599 550 HB2 PHE 70 2HB PHE 70 7.287 6.512 -3.494 551 HB3 PHE 70 3HB PHE 70 8.024 6.665 -1.921 552 HD1 PHE 70 HD1 PHE 70 4.802 5.920 -3.624 553 HD2 PHE 70 HD2 PHE 70 6.900 6.160 0.103 554 HE1 PHE 70 HE1 PHE 70 3.049 4.518 -2.555 555 HE2 PHE 70 HE2 PHE 70 5.174 4.742 1.189 556 HZ PHE 70 HZ PHE 70 3.254 3.899 -0.162 557 H ARG 71 H ARG 71 8.295 9.379 -0.664 558 HA ARG 71 HA ARG 71 10.867 9.560 -2.123 559 HB2 ARG 71 2HB ARG 71 9.726 11.714 -0.294 560 HB3 ARG 71 3HB ARG 71 11.351 11.722 -0.965 561 HG2 ARG 71 2HG ARG 71 10.479 11.969 -3.245 562 HG3 ARG 71 3HG ARG 71 8.814 11.859 -2.646 563 HD2 ARG 71 2HD ARG 71 9.355 13.807 -1.107 564 HD3 ARG 71 3HD ARG 71 10.831 14.051 -2.039 565 HE ARG 71 HE ARG 71 8.043 14.580 -2.820 566 HH11 ARG 71 1HH2 ARG 71 11.289 14.276 -4.119 567 HH12 ARG 71 2HH2 ARG 71 10.885 15.142 -5.576 568 HH21 ARG 71 1HH1 ARG 71 7.604 15.679 -4.696 569 HH22 ARG 71 2HH1 ARG 71 8.849 15.915 -5.887 570 HA PRO 72 HA PRO 72 12.542 7.589 1.492 571 HB2 PRO 72 2HB PRO 72 14.560 9.836 1.623 572 HB3 PRO 72 3HB PRO 72 14.829 8.068 1.755 573 HG2 PRO 72 2HG PRO 72 15.342 9.319 -0.577 574 HG3 PRO 72 3HG PRO 72 14.426 7.774 -0.601 575 HD2 PRO 72 2HD PRO 72 13.341 10.604 -0.750 576 HD3 PRO 72 3HD PRO 72 12.925 9.182 -1.752 577 H GLU 73 H GLU 73 11.988 11.106 1.833 578 HA GLU 73 HA GLU 73 11.975 11.102 4.718 579 HB2 GLU 73 2HB GLU 73 11.184 13.372 4.531 580 HB3 GLU 73 3HB GLU 73 12.484 13.085 3.376 581 HG2 GLU 73 2HG GLU 73 10.766 12.793 1.564 582 HG3 GLU 73 3HG GLU 73 9.502 13.182 2.732 583 H TYR 74 H TYR 74 9.627 9.918 2.541 584 HA TYR 74 HA TYR 74 7.832 9.345 4.743 585 HB2 TYR 74 2HB TYR 74 5.790 10.197 3.516 586 HB3 TYR 74 3HB TYR 74 6.792 11.310 4.404 587 HD1 TYR 74 HD2 TYR 74 7.213 10.118 0.840 588 HD2 TYR 74 HD1 TYR 74 6.403 13.384 3.531 589 HE1 TYR 74 HE2 TYR 74 7.154 11.701 -1.083 590 HE2 TYR 74 HE1 TYR 74 6.360 14.959 1.613 591 HH TYR 74 HH TYR 74 6.496 15.197 -0.651 592 H SER 75 H SER 75 9.164 7.487 3.924 593 HA SER 75 HA SER 75 8.094 5.927 1.706 594 HB2 SER 75 2HB SER 75 10.082 5.330 3.886 595 HB3 SER 75 3HB SER 75 9.669 4.211 2.572 596 HG SER 75 HG SER 75 10.318 6.852 1.897 597 H ALA 76 H ALA 76 7.909 3.358 2.665 598 HA ALA 76 HA ALA 76 5.206 3.141 3.147 599 HB1 ALA 76 1HB ALA 76 7.376 1.111 3.840 600 HB2 ALA 76 2HB ALA 76 5.666 0.774 3.499 601 HB3 ALA 76 3HB ALA 76 6.711 1.397 2.213 602 H SER 77 H SER 77 7.530 3.753 5.685 603 HA SER 77 HA SER 77 6.024 2.748 7.917 604 HB2 SER 77 2HB SER 77 7.529 4.326 9.185 605 HB3 SER 77 3HB SER 77 8.390 3.195 8.122 606 HG SER 77 HG SER 77 9.157 5.363 7.919 607 H GLN 78 H GLN 78 5.503 5.460 5.818 608 HA GLN 78 HA GLN 78 3.681 6.743 7.737 609 HB2 GLN 78 2HB GLN 78 5.063 7.929 5.311 610 HB3 GLN 78 3HB GLN 78 4.007 8.773 6.448 611 HG2 GLN 78 2HG GLN 78 5.642 8.133 8.313 612 HG3 GLN 78 3HG GLN 78 6.723 7.536 7.058 613 HE21 GLN 78 2HE2 GLN 78 8.353 9.063 7.690 614 HE22 GLN 78 1HE2 GLN 78 8.224 10.699 7.069 615 H LEU 79 H LEU 79 2.996 4.375 6.183 616 HA LEU 79 HA LEU 79 0.704 5.345 4.552 617 HB2 LEU 79 2HB LEU 79 1.759 2.582 5.308 618 HB3 LEU 79 3HB LEU 79 0.244 2.826 4.462 619 HG LEU 79 HG LEU 79 2.783 3.906 3.216 620 HD11 LEU 79 1HD1 LEU 79 3.225 1.841 2.062 621 HD12 LEU 79 2HD1 LEU 79 3.290 1.512 3.800 622 HD13 LEU 79 3HD1 LEU 79 1.880 1.025 2.871 623 HD21 LEU 79 3HD2 LEU 79 0.385 2.530 1.957 624 HD22 LEU 79 1HD2 LEU 79 0.408 4.251 2.338 625 HD23 LEU 79 2HD2 LEU 79 1.574 3.590 1.186 626 H LYS 80 H LYS 80 -1.348 5.479 5.368 627 HA LYS 80 HA LYS 80 -1.926 5.429 8.169 628 HB2 LYS 80 2HB LYS 80 -3.951 4.880 5.951 629 HB3 LYS 80 3HB LYS 80 -4.295 5.407 7.596 630 HG2 LYS 80 2HG LYS 80 -3.017 7.518 7.106 631 HG3 LYS 80 3HG LYS 80 -2.921 6.997 5.410 632 HD2 LYS 80 2HD LYS 80 -5.476 7.515 7.010 633 HD3 LYS 80 3HD LYS 80 -4.746 8.637 5.855 634 HE2 LYS 80 2HE LYS 80 -5.087 7.002 4.025 635 HE3 LYS 80 3HE LYS 80 -5.809 5.860 5.170 636 HZ1 LYS 80 3HZ LYS 80 -7.579 7.476 5.583 637 HZ2 LYS 80 1HZ LYS 80 -6.919 8.544 4.536 638 HZ3 LYS 80 2HZ LYS 80 -7.515 7.123 3.992 639 H GLY 81 H GLY 81 -2.329 3.839 9.580 640 HA2 GLY 81 2HA GLY 81 -2.958 1.771 10.426 641 HA3 GLY 81 3HA GLY 81 -3.535 1.300 8.827 642 H PHE 82 H PHE 82 -0.246 2.255 8.547 643 HA PHE 82 HA PHE 82 0.835 -0.305 8.035 644 HB2 PHE 82 2HB PHE 82 1.957 1.648 7.277 645 HB3 PHE 82 3HB PHE 82 1.962 2.385 8.870 646 HD1 PHE 82 HD2 PHE 82 3.668 -0.053 6.680 647 HD2 PHE 82 HD1 PHE 82 3.604 1.865 10.534 648 HE1 PHE 82 HE2 PHE 82 5.995 -0.823 7.105 649 HE2 PHE 82 HE1 PHE 82 5.923 1.069 10.973 650 HZ PHE 82 HZ PHE 82 7.110 -0.288 9.253 651 H SER 83 H SER 83 0.918 1.649 11.050 652 HA SER 83 HA SER 83 2.406 -0.125 12.635 653 HB2 SER 83 2HB SER 83 0.281 1.876 13.478 654 HB3 SER 83 3HB SER 83 1.542 1.190 14.528 655 HG SER 83 HG SER 83 2.117 3.251 13.668 656 H LEU 84 H LEU 84 -0.972 -0.298 11.776 657 HA LEU 84 HA LEU 84 -1.843 -1.990 13.938 658 HB2 LEU 84 2HB LEU 84 -3.059 -0.212 12.337 659 HB3 LEU 84 3HB LEU 84 -3.242 -1.604 11.279 660 HG LEU 84 HG LEU 84 -4.482 -2.779 13.153 661 HD11 LEU 84 1HD1 LEU 84 -5.334 -1.281 14.992 662 HD12 LEU 84 2HD1 LEU 84 -3.593 -1.562 15.100 663 HD13 LEU 84 3HD1 LEU 84 -4.193 -0.025 14.449 664 HD21 LEU 84 3HD2 LEU 84 -5.526 -0.046 12.288 665 HD22 LEU 84 1HD2 LEU 84 -5.640 -1.550 11.347 666 HD23 LEU 84 2HD2 LEU 84 -6.517 -1.402 12.881 667 H LEU 85 H LEU 85 -0.114 -2.648 11.048 668 HA LEU 85 HA LEU 85 -1.124 -5.360 10.579 669 HB2 LEU 85 2HB LEU 85 1.375 -3.946 9.614 670 HB3 LEU 85 3HB LEU 85 0.798 -5.487 9.007 671 HG LEU 85 HG LEU 85 -0.766 -2.883 8.742 672 HD11 LEU 85 1HD1 LEU 85 0.999 -4.330 6.721 673 HD12 LEU 85 2HD1 LEU 85 0.002 -2.893 6.403 674 HD13 LEU 85 3HD1 LEU 85 1.378 -2.783 7.511 675 HD21 LEU 85 3HD2 LEU 85 -2.213 -4.820 8.576 676 HD22 LEU 85 1HD2 LEU 85 -1.984 -4.084 6.985 677 HD23 LEU 85 2HD2 LEU 85 -1.114 -5.571 7.392 678 H ALA 86 H ALA 86 0.560 -7.200 10.570 679 HA ALA 86 HA ALA 86 1.728 -7.599 13.186 680 HB1 ALA 86 1HB ALA 86 0.817 -9.428 11.755 681 HB2 ALA 86 2HB ALA 86 2.123 -9.138 10.585 682 HB3 ALA 86 3HB ALA 86 2.508 -9.710 12.223 683 H THR 87 H THR 87 3.931 -7.675 13.761 684 HA THR 87 HA THR 87 5.613 -5.651 12.848 685 HB THR 87 HB THR 87 6.520 -8.231 14.153 686 HG1 THR 87 1HG THR 87 6.004 -7.184 16.088 687 HG21 THR 87 1HG2 THR 87 7.571 -5.365 14.343 688 HG22 THR 87 2HG2 THR 87 8.155 -6.739 15.310 689 HG23 THR 87 3HG2 THR 87 8.396 -6.732 13.560 690 H GLU 88 H GLU 88 5.615 -9.079 11.801 691 HA GLU 88 HA GLU 88 7.967 -8.883 10.170 692 HB2 GLU 88 2HB GLU 88 7.288 -11.001 9.235 693 HB3 GLU 88 3HB GLU 88 7.095 -11.002 10.986 694 HG2 GLU 88 2HG GLU 88 4.626 -10.587 10.671 695 HG3 GLU 88 3HG GLU 88 4.863 -10.718 8.927 696 H ASP 89 H ASP 89 4.595 -8.003 9.483 697 HA ASP 89 HA ASP 89 5.126 -7.617 6.604 698 HB2 ASP 89 2HB ASP 89 2.733 -7.033 8.375 699 HB3 ASP 89 3HB ASP 89 2.826 -6.563 6.683 700 H LYS 90 H LYS 90 4.838 -5.590 9.527 701 HA LYS 90 HA LYS 90 5.273 -3.030 8.283 702 HB2 LYS 90 2HB LYS 90 5.832 -4.157 11.052 703 HB3 LYS 90 3HB LYS 90 6.221 -2.483 10.641 704 HG2 LYS 90 2HG LYS 90 4.014 -1.847 10.373 705 HG3 LYS 90 3HG LYS 90 3.480 -3.463 9.937 706 HD2 LYS 90 2HD LYS 90 2.510 -2.934 12.024 707 HD3 LYS 90 3HD LYS 90 3.699 -4.210 12.278 708 HE2 LYS 90 2HE LYS 90 5.298 -2.566 13.185 709 HE3 LYS 90 3HE LYS 90 4.164 -1.254 12.830 710 HZ1 LYS 90 3HZ LYS 90 3.978 -1.948 15.156 711 HZ2 LYS 90 1HZ LYS 90 2.576 -2.300 14.380 712 HZ3 LYS 90 2HZ LYS 90 3.644 -3.488 14.727 713 H GLU 91 H GLU 91 7.607 -5.453 9.483 714 HA GLU 91 HA GLU 91 9.963 -4.022 8.606 715 HB2 GLU 91 2HB GLU 91 9.371 -6.946 9.191 716 HB3 GLU 91 3HB GLU 91 10.946 -6.412 8.614 717 HG2 GLU 91 2HG GLU 91 9.585 -5.368 11.129 718 HG3 GLU 91 3HG GLU 91 10.818 -6.628 11.093 719 H ALA 92 H ALA 92 8.051 -6.624 6.965 720 HA ALA 92 HA ALA 92 9.647 -6.705 4.653 721 HB1 ALA 92 1HB ALA 92 6.680 -7.261 4.937 722 HB2 ALA 92 2HB ALA 92 7.733 -7.820 3.617 723 HB3 ALA 92 3HB ALA 92 8.008 -8.403 5.271 724 H LEU 93 H LEU 93 6.926 -4.449 5.307 725 HA LEU 93 HA LEU 93 6.864 -3.319 2.649 726 HB2 LEU 93 2HB LEU 93 5.989 -2.339 5.389 727 HB3 LEU 93 3HB LEU 93 5.745 -1.393 3.926 728 HG LEU 93 HG LEU 93 4.582 -4.180 4.333 729 HD11 LEU 93 1HD1 LEU 93 3.292 -1.428 4.586 730 HD12 LEU 93 2HD1 LEU 93 2.454 -2.990 4.705 731 HD13 LEU 93 3HD1 LEU 93 3.650 -2.544 5.928 732 HD21 LEU 93 3HD2 LEU 93 4.824 -3.600 1.954 733 HD22 LEU 93 1HD2 LEU 93 3.130 -3.567 2.439 734 HD23 LEU 93 2HD2 LEU 93 4.018 -2.040 2.241 735 H LYS 94 H LYS 94 8.654 -2.366 5.623 736 HA LYS 94 HA LYS 94 10.028 -0.123 4.384 737 HB2 LYS 94 2HB LYS 94 10.695 -1.837 6.806 738 HB3 LYS 94 3HB LYS 94 11.582 -0.381 6.342 739 HG2 LYS 94 2HG LYS 94 9.564 1.001 6.609 740 HG3 LYS 94 3HG LYS 94 8.614 -0.417 7.052 741 HD2 LYS 94 2HD LYS 94 10.977 0.719 8.613 742 HD3 LYS 94 3HD LYS 94 9.266 0.862 9.043 743 HE2 LYS 94 2HE LYS 94 9.147 -1.666 9.157 744 HE3 LYS 94 3HE LYS 94 10.888 -1.719 8.869 745 HZ1 LYS 94 3HZ LYS 94 11.129 -0.366 10.936 746 HZ2 LYS 94 1HZ LYS 94 9.536 -0.585 11.250 747 HZ3 LYS 94 2HZ LYS 94 10.553 -1.882 11.165 748 H LYS 95 H LYS 95 10.829 -3.584 4.768 749 HA LYS 95 HA LYS 95 13.483 -3.420 3.758 750 HB2 LYS 95 2HB LYS 95 11.476 -5.682 3.905 751 HB3 LYS 95 3HB LYS 95 13.075 -5.927 3.201 752 HG2 LYS 95 2HG LYS 95 14.206 -5.327 5.222 753 HG3 LYS 95 3HG LYS 95 12.720 -4.768 5.995 754 HD2 LYS 95 2HD LYS 95 11.795 -7.061 5.928 755 HD3 LYS 95 3HD LYS 95 13.275 -7.659 5.171 756 HE2 LYS 95 2HE LYS 95 13.167 -6.275 7.896 757 HE3 LYS 95 3HE LYS 95 13.052 -8.022 7.684 758 HZ1 LYS 95 3HZ LYS 95 15.325 -7.361 8.163 759 HZ2 LYS 95 1HZ LYS 95 15.257 -8.003 6.666 760 HZ3 LYS 95 2HZ LYS 95 15.389 -6.385 6.858 761 H GLN 96 H GLN 96 10.506 -3.320 1.995 762 HA GLN 96 HA GLN 96 11.882 -3.644 -0.631 763 HB2 GLN 96 2HB GLN 96 8.948 -3.506 0.143 764 HB3 GLN 96 3HB GLN 96 9.557 -3.621 -1.516 765 HG2 GLN 96 2HG GLN 96 10.527 -5.788 -1.139 766 HG3 GLN 96 3HG GLN 96 10.220 -5.709 0.596 767 HE21 GLN 96 2HE2 GLN 96 7.967 -5.710 1.344 768 HE22 GLN 96 1HE2 GLN 96 6.745 -6.508 0.340 769 H LEU 97 H LEU 97 10.236 -1.199 1.379 770 HA LEU 97 HA LEU 97 11.397 0.913 -0.339 771 HB2 LEU 97 2HB LEU 97 9.145 0.491 -1.159 772 HB3 LEU 97 3HB LEU 97 8.464 0.718 0.448 773 HG LEU 97 HG LEU 97 8.962 3.090 0.409 774 HD11 LEU 97 1HD1 LEU 97 10.023 4.151 -1.604 775 HD12 LEU 97 2HD1 LEU 97 11.140 3.173 -0.656 776 HD13 LEU 97 3HD1 LEU 97 10.476 2.520 -2.171 777 HD21 LEU 97 3HD2 LEU 97 7.887 2.160 -2.287 778 HD22 LEU 97 1HD2 LEU 97 6.956 2.357 -0.787 779 HD23 LEU 97 2HD2 LEU 97 7.663 3.772 -1.578 780 HA PRO 98 HA PRO 98 11.937 1.833 4.119 781 HB2 PRO 98 2HB PRO 98 14.686 1.920 4.243 782 HB3 PRO 98 3HB PRO 98 13.718 0.434 4.366 783 HG2 PRO 98 2HG PRO 98 15.371 1.395 2.081 784 HG3 PRO 98 3HG PRO 98 14.836 -0.268 2.485 785 HD2 PRO 98 2HD PRO 98 13.699 1.547 0.550 786 HD3 PRO 98 3HD PRO 98 13.151 -0.092 0.995 787 H GLY 99 H GLY 99 12.159 3.864 5.106 788 HA2 GLY 99 2HA GLY 99 12.909 6.179 3.420 789 HA3 GLY 99 3HA GLY 99 11.956 6.196 4.893 790 H VAL 100 H VAL 100 13.345 8.010 5.213 791 HA VAL 100 HA VAL 100 16.124 7.701 6.070 792 HB VAL 100 HB VAL 100 14.159 10.009 6.434 793 HG11 VAL 100 1HG1 VAL 100 17.188 9.940 6.833 794 HG12 VAL 100 2HG1 VAL 100 16.188 11.407 6.803 795 HG13 VAL 100 3HG1 VAL 100 15.960 10.235 8.090 796 HG21 VAL 100 3HG2 VAL 100 15.413 11.074 4.593 797 HG22 VAL 100 1HG2 VAL 100 16.420 9.618 4.420 798 HG23 VAL 100 2HG2 VAL 100 14.684 9.563 4.059 799 H LYS 101 H LYS 101 16.955 7.728 8.010 800 HA LYS 101 HA LYS 101 15.456 6.404 10.115 801 HB2 LYS 101 2HB LYS 101 17.849 5.913 9.167 802 HB3 LYS 101 3HB LYS 101 18.384 7.188 10.272 803 HG2 LYS 101 2HG LYS 101 17.205 5.920 12.132 804 HG3 LYS 101 3HG LYS 101 16.830 4.659 10.952 805 HD2 LYS 101 2HD LYS 101 19.652 5.545 11.730 806 HD3 LYS 101 3HD LYS 101 18.798 4.162 12.417 807 HE2 LYS 101 2HE LYS 101 18.569 3.244 10.046 808 HE3 LYS 101 3HE LYS 101 19.661 4.534 9.514 809 HZ1 LYS 101 3HZ LYS 101 20.874 2.487 9.986 810 HZ2 LYS 101 1HZ LYS 101 21.344 3.631 11.057 811 HZ3 LYS 101 2HZ LYS 101 20.298 2.441 11.519 812 H SER 102 H SER 102 14.419 8.918 9.823 813 HA SER 102 HA SER 102 15.549 11.025 11.283 814 HB2 SER 102 2HB SER 102 12.591 10.489 10.827 815 HB3 SER 102 3HB SER 102 13.355 12.062 11.146 816 HG SER 102 HG SER 102 12.990 11.756 8.918 817 H GLU 103 H GLU 103 13.836 8.275 12.579 818 HA GLU 103 HA GLU 103 13.386 9.542 15.226 819 HB2 GLU 103 2HB GLU 103 12.827 6.756 14.136 820 HB3 GLU 103 3HB GLU 103 12.576 7.230 15.816 821 HG2 GLU 103 2HG GLU 103 11.073 9.100 15.007 822 HG3 GLU 103 3HG GLU 103 11.192 8.416 13.381 823 H GLY 104 H GLY 104 16.013 7.909 13.717 824 HA2 GLY 104 2HA GLY 104 18.048 7.233 14.480 825 HA3 GLY 104 3HA GLY 104 17.690 8.092 15.976 826 H LYS 105 H LYS 105 15.457 5.517 15.395 827 HA LYS 105 HA LYS 105 16.493 4.077 17.745 828 HB2 LYS 105 2HB LYS 105 14.011 3.672 16.016 829 HB3 LYS 105 3HB LYS 105 14.392 2.751 17.474 830 HG2 LYS 105 2HG LYS 105 14.331 4.830 18.824 831 HG3 LYS 105 3HG LYS 105 13.902 5.754 17.372 832 HD2 LYS 105 2HD LYS 105 11.830 4.406 17.109 833 HD3 LYS 105 3HD LYS 105 12.288 3.433 18.510 834 HE2 LYS 105 2HE LYS 105 10.656 4.965 19.276 835 HE3 LYS 105 3HE LYS 105 12.204 5.495 19.939 836 HZ1 LYS 105 3HZ LYS 105 12.284 7.192 18.186 837 HZ2 LYS 105 1HZ LYS 105 10.860 6.666 17.543 838 HZ3 LYS 105 2HZ LYS 105 10.895 7.343 19.030 839 H ARG 106 H ARG 106 16.360 3.525 14.292 840 HA ARG 106 HA ARG 106 16.716 0.653 14.516 841 HB2 ARG 106 2HB ARG 106 15.221 1.816 12.877 842 HB3 ARG 106 3HB ARG 106 16.653 2.369 12.005 843 HG2 ARG 106 2HG ARG 106 17.304 -0.014 11.601 844 HG3 ARG 106 3HG ARG 106 15.891 -0.546 12.531 845 HD2 ARG 106 2HD ARG 106 14.417 0.672 10.882 846 HD3 ARG 106 3HD ARG 106 15.857 1.092 9.960 847 HE ARG 106 HE ARG 106 15.993 -1.064 9.120 848 HH11 ARG 106 1HH2 ARG 106 13.699 -1.229 11.784 849 HH12 ARG 106 2HH2 ARG 106 12.968 -2.700 11.147 850 HH21 ARG 106 1HH1 ARG 106 15.112 -3.036 8.530 851 HH22 ARG 106 2HH1 ARG 106 13.834 -3.730 9.523 852 H LYS 107 H LYS 107 18.783 0.919 15.733 853 HA LYS 107 HA LYS 107 21.134 2.052 14.681 854 HB2 LYS 107 2HB LYS 107 21.040 -0.387 16.507 855 HB3 LYS 107 3HB LYS 107 22.371 0.745 16.314 856 HG2 LYS 107 2HG LYS 107 19.688 1.258 17.636 857 HG3 LYS 107 3HG LYS 107 21.279 1.192 18.385 858 HD2 LYS 107 2HD LYS 107 21.926 3.252 17.056 859 HD3 LYS 107 3HD LYS 107 20.240 3.348 16.495 860 HE2 LYS 107 2HE LYS 107 19.498 3.385 18.899 861 HE3 LYS 107 3HE LYS 107 21.197 3.428 19.391 862 HZ1 LYS 107 3HZ LYS 107 20.273 5.659 19.314 863 HZ2 LYS 107 1HZ LYS 107 21.397 5.539 18.135 864 HZ3 LYS 107 2HZ LYS 107 19.797 5.480 17.762 865 H GLY 108 H GLY 108 20.281 -1.428 14.456 866 HA2 GLY 108 2HA GLY 108 20.916 -3.056 12.936 867 HA3 GLY 108 3HA GLY 108 21.140 -1.749 11.775 868 H ASP 109 H ASP 109 23.139 -1.515 10.998 869 HA ASP 109 HA ASP 109 25.458 -2.918 12.130 870 HB2 ASP 109 2HB ASP 109 24.889 -2.808 9.681 871 HB3 ASP 109 3HB ASP 109 25.210 -1.075 9.723 872 H GLU 110 H GLU 110 24.125 0.189 12.678 873 HA GLU 110 HA GLU 110 26.728 1.420 13.225 874 HB2 GLU 110 2HB GLU 110 23.922 2.507 13.703 875 HB3 GLU 110 3HB GLU 110 25.425 3.404 13.902 876 HG2 GLU 110 2HG GLU 110 25.936 3.120 11.492 877 HG3 GLU 110 3HG GLU 110 24.422 2.240 11.265 878 H VAL 111 H VAL 111 27.425 2.170 15.225 879 HA VAL 111 HA VAL 111 28.091 1.858 17.321 880 HB VAL 111 HB VAL 111 26.273 3.521 17.368 881 HG11 VAL 111 1HG1 VAL 111 24.278 3.130 18.736 882 HG12 VAL 111 2HG1 VAL 111 24.254 2.190 17.245 883 HG13 VAL 111 3HG1 VAL 111 24.634 1.394 18.786 884 HG21 VAL 111 3HG2 VAL 111 27.929 3.268 19.171 885 HG22 VAL 111 1HG2 VAL 111 26.370 3.901 19.718 886 HG23 VAL 111 2HG2 VAL 111 26.795 2.215 20.048 887 H ASP 112 H ASP 112 27.656 -0.644 16.076 888 HA ASP 112 HA ASP 112 26.704 -2.574 18.024 889 HB2 ASP 112 2HB ASP 112 26.587 -2.975 15.614 890 HB3 ASP 112 3HB ASP 112 28.341 -2.901 15.487 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -7.083 -1.074 24.319 2 H2 GLY 1 H2 GLY 1 -7.297 -1.068 22.693 3 H3 GLY 1 H3 GLY 1 -8.283 -0.178 23.652 4 HA2 GLY 1 2HA GLY 1 -6.468 1.254 24.311 5 HA3 GLY 1 3HA GLY 1 -5.389 0.280 23.294 6 H SER 2 H SER 2 -6.165 3.186 23.184 7 HA SER 2 HA SER 2 -7.871 3.655 20.937 8 HB2 SER 2 2HB SER 2 -5.710 5.439 22.114 9 HB3 SER 2 3HB SER 2 -7.024 5.948 21.036 10 HG SER 2 HG SER 2 -7.520 6.317 23.256 11 H LYS 3 H LYS 3 -7.478 4.151 18.818 12 HA LYS 3 HA LYS 3 -5.036 3.105 17.567 13 HB2 LYS 3 2HB LYS 3 -7.237 2.615 16.643 14 HB3 LYS 3 3HB LYS 3 -7.570 4.337 16.416 15 HG2 LYS 3 2HG LYS 3 -5.819 4.514 14.728 16 HG3 LYS 3 3HG LYS 3 -5.293 2.845 15.034 17 HD2 LYS 3 2HD LYS 3 -7.451 1.980 14.272 18 HD3 LYS 3 3HD LYS 3 -8.084 3.611 14.046 19 HE2 LYS 3 2HE LYS 3 -5.673 2.490 12.542 20 HE3 LYS 3 3HE LYS 3 -7.336 2.388 11.955 21 HZ1 LYS 3 3HZ LYS 3 -6.316 4.310 10.995 22 HZ2 LYS 3 1HZ LYS 3 -7.413 4.860 12.070 23 HZ3 LYS 3 2HZ LYS 3 -5.808 4.904 12.420 24 H ALA 4 H ALA 4 -3.428 4.200 16.626 25 HA ALA 4 HA ALA 4 -3.577 7.062 16.031 26 HB1 ALA 4 1HB ALA 4 -2.857 7.066 18.402 27 HB2 ALA 4 2HB ALA 4 -1.524 5.955 18.006 28 HB3 ALA 4 3HB ALA 4 -1.543 7.602 17.338 29 H GLU 5 H GLU 5 -1.927 7.758 14.597 30 HA GLU 5 HA GLU 5 0.054 5.867 13.553 31 HB2 GLU 5 2HB GLU 5 -0.723 5.985 11.251 32 HB3 GLU 5 3HB GLU 5 -1.878 5.164 12.275 33 HG2 GLU 5 2HG GLU 5 -2.154 8.063 11.354 34 HG3 GLU 5 3HG GLU 5 -2.870 6.680 10.541 35 H LYS 6 H LYS 6 1.576 6.803 12.104 36 HA LYS 6 HA LYS 6 2.087 9.681 12.643 37 HB2 LYS 6 2HB LYS 6 3.836 7.451 11.522 38 HB3 LYS 6 3HB LYS 6 4.395 9.083 11.842 39 HG2 LYS 6 2HG LYS 6 3.317 7.176 13.967 40 HG3 LYS 6 3HG LYS 6 5.013 7.407 13.598 41 HD2 LYS 6 2HD LYS 6 3.138 9.583 14.628 42 HD3 LYS 6 3HD LYS 6 4.247 8.657 15.620 43 HE2 LYS 6 2HE LYS 6 5.096 10.485 13.324 44 HE3 LYS 6 3HE LYS 6 5.073 10.943 15.026 45 HZ1 LYS 6 3HZ LYS 6 6.751 8.778 13.879 46 HZ2 LYS 6 1HZ LYS 6 7.296 10.230 14.383 47 HZ3 LYS 6 2HZ LYS 6 6.691 9.176 15.468 48 H THR 7 H THR 7 0.563 8.110 10.242 49 HA THR 7 HA THR 7 1.619 8.321 7.820 50 HB THR 7 HB THR 7 -1.236 9.128 8.397 51 HG1 THR 7 1HG THR 7 -0.089 6.530 8.381 52 HG21 THR 7 1HG2 THR 7 -0.632 7.103 6.277 53 HG22 THR 7 2HG2 THR 7 -1.877 8.378 6.360 54 HG23 THR 7 3HG2 THR 7 -0.245 8.747 5.888 55 H LEU 8 H LEU 8 1.789 9.634 6.054 56 HA LEU 8 HA LEU 8 1.791 12.521 6.429 57 HB2 LEU 8 2HB LEU 8 2.727 12.732 4.378 58 HB3 LEU 8 3HB LEU 8 3.285 11.134 4.834 59 HG LEU 8 HG LEU 8 0.978 11.776 2.920 60 HD11 LEU 8 1HD1 LEU 8 3.715 10.615 2.333 61 HD12 LEU 8 2HD1 LEU 8 2.432 10.976 1.167 62 HD13 LEU 8 3HD1 LEU 8 3.233 12.298 2.031 63 HD21 LEU 8 3HD2 LEU 8 2.217 9.113 3.703 64 HD22 LEU 8 1HD2 LEU 8 0.548 9.612 4.000 65 HD23 LEU 8 2HD2 LEU 8 1.096 9.349 2.353 66 H GLY 9 H GLY 9 -0.823 10.438 5.702 67 HA2 GLY 9 2HA GLY 9 -3.071 11.037 5.564 68 HA3 GLY 9 3HA GLY 9 -2.635 12.705 5.217 69 H ASP 10 H ASP 10 -1.329 10.009 3.270 70 HA ASP 10 HA ASP 10 -3.110 10.776 1.007 71 HB2 ASP 10 2HB ASP 10 -0.823 11.973 1.110 72 HB3 ASP 10 3HB ASP 10 -0.135 10.377 0.744 73 H PHE 11 H PHE 11 -1.441 8.162 2.662 74 HA PHE 11 HA PHE 11 -2.695 6.256 0.849 75 HB2 PHE 11 2HB PHE 11 -0.406 5.026 0.617 76 HB3 PHE 11 3HB PHE 11 -0.899 6.265 -0.473 77 HD1 PHE 11 HD1 PHE 11 1.165 6.056 2.719 78 HD2 PHE 11 HD2 PHE 11 0.606 7.817 -1.181 79 HE1 PHE 11 HE1 PHE 11 3.435 7.025 2.826 80 HE2 PHE 11 HE2 PHE 11 2.843 8.867 -1.018 81 HZ PHE 11 HZ PHE 11 4.271 8.447 0.972 82 H ALA 12 H ALA 12 -2.649 4.064 1.536 83 HA ALA 12 HA ALA 12 -2.529 3.726 4.496 84 HB1 ALA 12 1HB ALA 12 -4.837 2.912 4.456 85 HB2 ALA 12 2HB ALA 12 -4.774 4.551 3.768 86 HB3 ALA 12 3HB ALA 12 -4.916 3.146 2.700 87 H ALA 13 H ALA 13 -2.676 1.560 5.250 88 HA ALA 13 HA ALA 13 -2.151 -0.650 3.338 89 HB1 ALA 13 1HB ALA 13 -0.590 -0.014 5.884 90 HB2 ALA 13 2HB ALA 13 -0.270 -1.330 4.721 91 HB3 ALA 13 3HB ALA 13 -0.042 0.366 4.243 92 H GLU 14 H GLU 14 -3.170 -2.531 3.856 93 HA GLU 14 HA GLU 14 -4.170 -3.071 6.612 94 HB2 GLU 14 2HB GLU 14 -5.922 -3.224 4.116 95 HB3 GLU 14 3HB GLU 14 -6.365 -3.739 5.744 96 HG2 GLU 14 2HG GLU 14 -6.137 -1.351 6.504 97 HG3 GLU 14 3HG GLU 14 -5.962 -0.888 4.798 98 H TYR 15 H TYR 15 -4.659 -5.409 6.943 99 HA TYR 15 HA TYR 15 -3.928 -7.303 4.807 100 HB2 TYR 15 2HB TYR 15 -5.563 -7.586 7.351 101 HB3 TYR 15 3HB TYR 15 -5.305 -8.881 6.189 102 HD1 TYR 15 HD1 TYR 15 -2.227 -7.176 6.143 103 HD2 TYR 15 HD2 TYR 15 -4.636 -9.712 8.683 104 HE1 TYR 15 HE1 TYR 15 -0.209 -7.915 7.310 105 HE2 TYR 15 HE2 TYR 15 -2.565 -10.502 9.820 106 HH TYR 15 HH TYR 15 0.691 -9.501 8.693 107 H ALA 16 H ALA 16 -5.103 -7.857 3.134 108 HA ALA 16 HA ALA 16 -7.484 -6.554 2.326 109 HB1 ALA 16 1HB ALA 16 -6.255 -9.182 1.498 110 HB2 ALA 16 2HB ALA 16 -7.490 -8.301 0.564 111 HB3 ALA 16 3HB ALA 16 -5.872 -7.598 0.805 112 H LYS 17 H LYS 17 -9.314 -6.654 3.497 113 HA LYS 17 HA LYS 17 -10.095 -8.961 5.059 114 HB2 LYS 17 2HB LYS 17 -11.889 -7.552 5.859 115 HB3 LYS 17 3HB LYS 17 -10.365 -6.678 5.826 116 HG2 LYS 17 2HG LYS 17 -11.175 -5.722 3.523 117 HG3 LYS 17 3HG LYS 17 -12.747 -6.399 3.949 118 HD2 LYS 17 2HD LYS 17 -12.750 -4.086 4.562 119 HD3 LYS 17 3HD LYS 17 -12.691 -5.011 6.071 120 HE2 LYS 17 2HE LYS 17 -10.259 -4.611 6.252 121 HE3 LYS 17 3HE LYS 17 -10.240 -3.845 4.665 122 HZ1 LYS 17 3HZ LYS 17 -11.704 -2.101 5.597 123 HZ2 LYS 17 1HZ LYS 17 -11.576 -2.775 7.086 124 HZ3 LYS 17 2HZ LYS 17 -10.248 -2.166 6.328 125 H SER 18 H SER 18 -10.802 -8.105 1.831 126 HA SER 18 HA SER 18 -12.335 -10.570 1.497 127 HB2 SER 18 2HB SER 18 -14.054 -8.732 1.938 128 HB3 SER 18 3HB SER 18 -13.540 -8.008 0.395 129 HG SER 18 HG SER 18 -15.352 -9.553 0.316 130 H ASN 19 H ASN 19 -12.485 -11.176 -0.789 131 HA ASN 19 HA ASN 19 -10.036 -10.468 -2.219 132 HB2 ASN 19 2HB ASN 19 -10.919 -12.819 -1.788 133 HB3 ASN 19 3HB ASN 19 -12.195 -12.493 -2.955 134 HD21 ASN 19 2HD2 ASN 19 -8.781 -11.384 -3.413 135 HD22 ASN 19 1HD2 ASN 19 -8.340 -12.725 -4.449 136 H ARG 20 H ARG 20 -12.115 -8.425 -2.091 137 HA ARG 20 HA ARG 20 -13.178 -8.209 -4.872 138 HB2 ARG 20 2HB ARG 20 -14.007 -6.795 -2.309 139 HB3 ARG 20 3HB ARG 20 -14.775 -6.591 -3.880 140 HG2 ARG 20 2HG ARG 20 -14.689 -9.190 -2.289 141 HG3 ARG 20 3HG ARG 20 -16.058 -8.082 -2.405 142 HD2 ARG 20 2HD ARG 20 -16.158 -8.486 -4.860 143 HD3 ARG 20 3HD ARG 20 -14.825 -9.653 -4.706 144 HE ARG 20 HE ARG 20 -16.842 -10.412 -2.871 145 HH11 ARG 20 1HH2 ARG 20 -16.467 -10.309 -6.354 146 HH12 ARG 20 2HH2 ARG 20 -17.592 -11.617 -6.604 147 HH21 ARG 20 1HH1 ARG 20 -18.267 -12.071 -3.261 148 HH22 ARG 20 2HH1 ARG 20 -18.580 -12.584 -4.893 149 H SER 21 H SER 21 -10.826 -6.652 -2.834 150 HA SER 21 HA SER 21 -10.642 -4.226 -4.446 151 HB2 SER 21 2HB SER 21 -8.298 -4.138 -3.352 152 HB3 SER 21 3HB SER 21 -9.736 -3.895 -2.362 153 HG SER 21 HG SER 21 -8.411 -6.409 -2.617 154 H THR 22 H THR 22 -9.036 -3.732 -6.002 155 HA THR 22 HA THR 22 -7.638 -6.032 -7.298 156 HB THR 22 HB THR 22 -9.195 -3.874 -8.736 157 HG1 THR 22 1HG THR 22 -10.564 -5.439 -7.880 158 HG21 THR 22 1HG2 THR 22 -7.789 -6.310 -9.887 159 HG22 THR 22 2HG2 THR 22 -8.781 -5.153 -10.785 160 HG23 THR 22 3HG2 THR 22 -7.252 -4.622 -10.081 161 H CYS 23 HN CYS 23 -5.612 -5.594 -8.003 162 HA CYS 23 HA CYS 23 -4.388 -3.171 -7.006 163 HB2 CYS 23 2HB CYS 23 -3.251 -5.242 -6.737 164 HB3 CYS 23 3HB CYS 23 -3.510 -5.667 -8.430 165 H LYS 24 H LYS 24 -4.536 -1.324 -8.139 166 HA LYS 24 HA LYS 24 -4.828 -1.219 -11.055 167 HB2 LYS 24 2HB LYS 24 -4.609 0.772 -8.788 168 HB3 LYS 24 3HB LYS 24 -4.394 1.313 -10.455 169 HG2 LYS 24 2HG LYS 24 -6.692 1.612 -9.847 170 HG3 LYS 24 3HG LYS 24 -6.572 0.398 -11.102 171 HD2 LYS 24 2HD LYS 24 -7.047 -1.383 -9.499 172 HD3 LYS 24 3HD LYS 24 -6.853 -0.262 -8.144 173 HE2 LYS 24 2HE LYS 24 -9.187 -0.648 -8.426 174 HE3 LYS 24 3HE LYS 24 -8.851 1.011 -8.922 175 HZ1 LYS 24 3HZ LYS 24 -8.945 0.262 -11.248 176 HZ2 LYS 24 1HZ LYS 24 -9.225 -1.287 -10.782 177 HZ3 LYS 24 2HZ LYS 24 -10.330 -0.131 -10.484 178 H GLY 25 H GLY 25 -2.171 -1.756 -9.085 179 HA2 GLY 25 2HA GLY 25 -0.111 -0.452 -10.696 180 HA3 GLY 25 3HA GLY 25 0.123 -1.661 -9.434 181 H CYS 26 HN CYS 26 -1.621 -3.647 -10.768 182 HA CYS 26 HA CYS 26 -0.237 -4.136 -13.346 183 HB2 CYS 26 2HB CYS 26 0.334 -6.399 -12.854 184 HB3 CYS 26 3HB CYS 26 1.059 -5.347 -11.634 185 H MET 27 H MET 27 -3.189 -4.053 -11.812 186 HA MET 27 HA MET 27 -5.256 -4.543 -12.327 187 HB2 MET 27 2HB MET 27 -4.530 -3.462 -14.494 188 HB3 MET 27 3HB MET 27 -4.473 -5.072 -15.197 189 HG2 MET 27 2HG MET 27 -6.588 -3.832 -15.622 190 HG3 MET 27 3HG MET 27 -6.832 -5.392 -14.854 191 HE1 MET 27 3HE MET 27 -6.528 -1.490 -14.095 192 HE2 MET 27 1HE MET 27 -7.115 -1.447 -12.416 193 HE3 MET 27 2HE MET 27 -5.585 -2.258 -12.793 194 H GLU 28 H GLU 28 -4.419 -6.386 -10.859 195 HA GLU 28 HA GLU 28 -6.239 -8.451 -11.726 196 HB2 GLU 28 2HB GLU 28 -5.046 -10.390 -11.396 197 HB3 GLU 28 3HB GLU 28 -4.001 -9.398 -12.408 198 HG2 GLU 28 2HG GLU 28 -2.622 -8.852 -10.417 199 HG3 GLU 28 3HG GLU 28 -3.696 -9.818 -9.406 200 H LYS 29 H LYS 29 -6.866 -9.909 -9.879 201 HA LYS 29 HA LYS 29 -7.712 -7.973 -7.913 202 HB2 LYS 29 2HB LYS 29 -9.366 -9.615 -7.201 203 HB3 LYS 29 3HB LYS 29 -9.378 -9.252 -8.912 204 HG2 LYS 29 2HG LYS 29 -9.688 -11.485 -9.039 205 HG3 LYS 29 3HG LYS 29 -7.930 -11.469 -9.144 206 HD2 LYS 29 2HD LYS 29 -7.816 -11.986 -6.695 207 HD3 LYS 29 3HD LYS 29 -9.593 -11.970 -6.636 208 HE2 LYS 29 2HE LYS 29 -9.654 -13.815 -8.305 209 HE3 LYS 29 3HE LYS 29 -7.885 -13.835 -8.346 210 HZ1 LYS 29 3HZ LYS 29 -9.540 -14.404 -5.942 211 HZ2 LYS 29 1HZ LYS 29 -8.737 -15.531 -6.832 212 HZ3 LYS 29 2HZ LYS 29 -7.905 -14.401 -5.975 213 H ILE 30 H ILE 30 -7.391 -7.771 -5.843 214 HA ILE 30 HA ILE 30 -4.937 -8.915 -4.781 215 HB ILE 30 HB ILE 30 -6.913 -6.827 -3.884 216 HG12 ILE 30 2HG1 ILE 30 -3.929 -6.613 -4.462 217 HG13 ILE 30 3HG1 ILE 30 -5.140 -6.480 -5.729 218 HG21 ILE 30 1HG2 ILE 30 -4.445 -7.611 -2.295 219 HG22 ILE 30 2HG2 ILE 30 -5.591 -6.284 -1.967 220 HG23 ILE 30 3HG2 ILE 30 -6.124 -7.943 -1.797 221 HD11 ILE 30 3HD1 ILE 30 -6.158 -4.543 -4.595 222 HD12 ILE 30 1HD1 ILE 30 -4.888 -4.614 -3.343 223 HD13 ILE 30 2HD1 ILE 30 -4.463 -4.282 -5.028 224 H GLU 31 H GLU 31 -4.646 -10.502 -3.383 225 HA GLU 31 HA GLU 31 -6.821 -12.295 -2.814 226 HB2 GLU 31 2HB GLU 31 -3.892 -12.395 -2.090 227 HB3 GLU 31 3HB GLU 31 -5.042 -13.699 -1.782 228 HG2 GLU 31 2HG GLU 31 -4.361 -12.589 -4.539 229 HG3 GLU 31 3HG GLU 31 -3.651 -14.018 -3.807 230 H LYS 32 H LYS 32 -7.809 -12.851 -1.030 231 HA LYS 32 HA LYS 32 -7.959 -11.012 1.194 232 HB2 LYS 32 2HB LYS 32 -9.820 -12.350 0.204 233 HB3 LYS 32 3HB LYS 32 -9.154 -13.811 0.914 234 HG2 LYS 32 2HG LYS 32 -9.888 -11.398 2.618 235 HG3 LYS 32 3HG LYS 32 -11.121 -12.509 2.034 236 HD2 LYS 32 2HD LYS 32 -10.048 -14.402 3.170 237 HD3 LYS 32 3HD LYS 32 -8.791 -13.329 3.814 238 HE2 LYS 32 2HE LYS 32 -10.516 -11.968 4.957 239 HE3 LYS 32 3HE LYS 32 -11.784 -13.010 4.302 240 HZ1 LYS 32 3HZ LYS 32 -11.203 -13.654 6.567 241 HZ2 LYS 32 1HZ LYS 32 -10.815 -14.868 5.551 242 HZ3 LYS 32 2HZ LYS 32 -9.642 -13.907 6.163 243 H GLY 33 H GLY 33 -7.143 -11.116 3.219 244 HA2 GLY 33 2HA GLY 33 -6.068 -11.927 5.100 245 HA3 GLY 33 3HA GLY 33 -5.895 -13.506 4.336 246 H GLN 34 H GLN 34 -4.591 -11.004 2.394 247 HA GLN 34 HA GLN 34 -1.930 -11.050 3.698 248 HB2 GLN 34 2HB GLN 34 -0.759 -11.276 1.594 249 HB3 GLN 34 3HB GLN 34 -1.754 -12.672 1.952 250 HG2 GLN 34 2HG GLN 34 -1.967 -12.342 -0.371 251 HG3 GLN 34 3HG GLN 34 -3.479 -11.794 0.309 252 HE21 GLN 34 1HE2 GLN 34 -4.092 -9.583 -0.145 253 HE22 GLN 34 2HE2 GLN 34 -2.910 -8.405 -0.742 254 H VAL 35 H VAL 35 -0.510 -9.197 2.767 255 HA VAL 35 HA VAL 35 -1.919 -6.836 3.543 256 HB VAL 35 HB VAL 35 0.855 -7.079 2.334 257 HG11 VAL 35 1HG1 VAL 35 -0.436 -4.805 3.918 258 HG12 VAL 35 2HG1 VAL 35 1.292 -4.929 3.541 259 HG13 VAL 35 3HG1 VAL 35 0.132 -4.729 2.234 260 HG21 VAL 35 3HG2 VAL 35 1.658 -6.979 4.641 261 HG22 VAL 35 1HG2 VAL 35 -0.007 -6.907 5.245 262 HG23 VAL 35 2HG2 VAL 35 0.601 -8.376 4.451 263 H ARG 36 H ARG 36 -2.670 -5.082 2.484 264 HA ARG 36 HA ARG 36 -2.200 -4.732 -0.420 265 HB2 ARG 36 2HB ARG 36 -4.489 -4.193 -0.883 266 HB3 ARG 36 3HB ARG 36 -4.373 -5.829 -0.218 267 HG2 ARG 36 2HG ARG 36 -5.273 -5.117 1.918 268 HG3 ARG 36 3HG ARG 36 -5.187 -3.421 1.450 269 HD2 ARG 36 2HD ARG 36 -6.804 -3.929 -0.438 270 HD3 ARG 36 3HD ARG 36 -7.025 -5.531 0.270 271 HE ARG 36 HE ARG 36 -7.400 -3.330 2.174 272 HH11 ARG 36 1HH2 ARG 36 -9.176 -5.058 -0.339 273 HH12 ARG 36 2HH2 ARG 36 -10.702 -4.559 0.338 274 HH21 ARG 36 1HH1 ARG 36 -9.306 -2.720 2.898 275 HH22 ARG 36 2HH1 ARG 36 -10.781 -3.180 2.058 276 H LEU 37 H LEU 37 -2.017 -2.601 -1.086 277 HA LEU 37 HA LEU 37 -2.173 -0.507 1.033 278 HB2 LEU 37 2HB LEU 37 -0.302 -0.425 -1.351 279 HB3 LEU 37 3HB LEU 37 -0.387 0.645 0.071 280 HG LEU 37 HG LEU 37 1.559 -0.494 0.282 281 HD11 LEU 37 1HD1 LEU 37 -0.272 -2.009 2.143 282 HD12 LEU 37 2HD1 LEU 37 1.397 -1.457 2.405 283 HD13 LEU 37 3HD1 LEU 37 0.088 -0.272 2.247 284 HD21 LEU 37 3HD2 LEU 37 0.208 -3.221 0.086 285 HD22 LEU 37 1HD2 LEU 37 1.119 -2.436 -1.223 286 HD23 LEU 37 2HD2 LEU 37 1.921 -2.853 0.311 287 H SER 38 H SER 38 -2.777 1.639 0.332 288 HA SER 38 HA SER 38 -3.676 1.917 -2.445 289 HB2 SER 38 2HB SER 38 -5.847 2.924 -1.804 290 HB3 SER 38 3HB SER 38 -5.725 1.226 -1.349 291 HG SER 38 HG SER 38 -6.523 2.269 0.417 292 H LYS 39 H LYS 39 -4.023 4.065 -3.163 293 HA LYS 39 HA LYS 39 -2.921 6.240 -1.413 294 HB2 LYS 39 2HB LYS 39 -1.297 6.052 -3.103 295 HB3 LYS 39 3HB LYS 39 -2.500 5.788 -4.377 296 HG2 LYS 39 2HG LYS 39 -3.198 8.040 -4.393 297 HG3 LYS 39 3HG LYS 39 -2.419 8.395 -2.836 298 HD2 LYS 39 2HD LYS 39 -0.251 8.404 -3.777 299 HD3 LYS 39 3HD LYS 39 -0.820 7.705 -5.304 300 HE2 LYS 39 2HE LYS 39 -0.354 10.123 -5.490 301 HE3 LYS 39 3HE LYS 39 -2.017 9.705 -5.898 302 HZ1 LYS 39 3HZ LYS 39 -1.818 11.697 -4.443 303 HZ2 LYS 39 1HZ LYS 39 -2.716 10.535 -3.714 304 HZ3 LYS 39 2HZ LYS 39 -1.175 10.776 -3.255 305 H LYS 40 H LYS 40 -4.052 8.095 -1.218 306 HA LYS 40 HA LYS 40 -6.799 8.188 -2.342 307 HB2 LYS 40 2HB LYS 40 -6.662 8.669 -0.058 308 HB3 LYS 40 3HB LYS 40 -5.350 9.806 -0.252 309 HG2 LYS 40 2HG LYS 40 -8.056 10.293 -1.591 310 HG3 LYS 40 3HG LYS 40 -7.856 10.591 0.125 311 HD2 LYS 40 2HD LYS 40 -6.462 12.019 -2.150 312 HD3 LYS 40 3HD LYS 40 -7.581 12.680 -0.974 313 HE2 LYS 40 2HE LYS 40 -4.732 11.740 -0.426 314 HE3 LYS 40 3HE LYS 40 -5.253 13.408 -0.589 315 HZ1 LYS 40 3HZ LYS 40 -5.055 12.654 1.758 316 HZ2 LYS 40 1HZ LYS 40 -6.558 13.210 1.407 317 HZ3 LYS 40 2HZ LYS 40 -6.278 11.604 1.539 318 H MET 41 H MET 41 -7.113 9.012 -4.272 319 HA MET 41 HA MET 41 -6.081 11.611 -5.063 320 HB2 MET 41 2HB MET 41 -4.945 10.904 -7.128 321 HB3 MET 41 3HB MET 41 -4.102 10.352 -5.693 322 HG2 MET 41 2HG MET 41 -5.165 8.090 -5.984 323 HG3 MET 41 3HG MET 41 -5.881 8.671 -7.493 324 HE1 MET 41 3HE MET 41 -4.920 6.730 -8.815 325 HE2 MET 41 1HE MET 41 -3.220 6.194 -8.764 326 HE3 MET 41 2HE MET 41 -4.236 6.073 -7.306 327 H VAL 42 H VAL 42 -7.339 12.555 -6.752 328 HA VAL 42 HA VAL 42 -9.719 11.456 -7.659 329 HB VAL 42 HB VAL 42 -7.836 13.301 -9.188 330 HG11 VAL 42 1HG1 VAL 42 -10.804 12.735 -9.610 331 HG12 VAL 42 2HG1 VAL 42 -9.900 14.059 -10.377 332 HG13 VAL 42 3HG1 VAL 42 -9.476 12.391 -10.750 333 HG21 VAL 42 3HG2 VAL 42 -10.209 13.937 -7.379 334 HG22 VAL 42 1HG2 VAL 42 -8.498 14.275 -7.029 335 HG23 VAL 42 2HG2 VAL 42 -9.305 15.115 -8.350 336 H ASP 43 H ASP 43 -10.304 9.895 -9.074 337 HA ASP 43 HA ASP 43 -8.346 8.049 -10.018 338 HB2 ASP 43 2HB ASP 43 -10.743 7.543 -9.412 339 HB3 ASP 43 3HB ASP 43 -11.235 8.291 -10.918 340 HA PRO 44 HA PRO 44 -7.324 10.374 -13.664 341 HB2 PRO 44 2HB PRO 44 -5.506 8.674 -14.858 342 HB3 PRO 44 3HB PRO 44 -5.162 9.571 -13.348 343 HG2 PRO 44 2HG PRO 44 -6.170 6.711 -13.614 344 HG3 PRO 44 3HG PRO 44 -4.778 7.305 -12.645 345 HD2 PRO 44 2HD PRO 44 -7.202 6.898 -11.534 346 HD3 PRO 44 3HD PRO 44 -6.199 8.302 -11.053 347 H GLU 45 H GLU 45 -8.986 7.350 -13.804 348 HA GLU 45 HA GLU 45 -9.537 7.582 -16.742 349 HB2 GLU 45 2HB GLU 45 -9.973 5.321 -14.757 350 HB3 GLU 45 3HB GLU 45 -10.404 5.264 -16.463 351 HG2 GLU 45 2HG GLU 45 -8.134 5.284 -17.172 352 HG3 GLU 45 3HG GLU 45 -7.533 5.807 -15.602 353 H LYS 46 H LYS 46 -10.820 8.346 -13.710 354 HA LYS 46 HA LYS 46 -13.596 8.789 -14.682 355 HB2 LYS 46 2HB LYS 46 -12.841 7.180 -12.224 356 HB3 LYS 46 3HB LYS 46 -14.481 7.701 -12.622 357 HG2 LYS 46 2HG LYS 46 -14.535 6.283 -14.583 358 HG3 LYS 46 3HG LYS 46 -12.861 5.765 -14.325 359 HD2 LYS 46 2HD LYS 46 -15.118 5.413 -12.320 360 HD3 LYS 46 3HD LYS 46 -14.588 4.152 -13.448 361 HE2 LYS 46 2HE LYS 46 -13.042 5.356 -11.118 362 HE3 LYS 46 3HE LYS 46 -13.630 3.701 -11.279 363 HZ1 LYS 46 3HZ LYS 46 -11.300 3.760 -11.726 364 HZ2 LYS 46 1HZ LYS 46 -12.016 3.487 -13.181 365 HZ3 LYS 46 2HZ LYS 46 -11.402 4.978 -12.775 366 HA PRO 47 HA PRO 47 -11.568 11.980 -11.805 367 HB2 PRO 47 2HB PRO 47 -11.885 14.227 -13.395 368 HB3 PRO 47 3HB PRO 47 -10.459 13.143 -13.418 369 HG2 PRO 47 2HG PRO 47 -12.880 13.061 -15.251 370 HG3 PRO 47 3HG PRO 47 -11.140 13.022 -15.702 371 HD2 PRO 47 2HD PRO 47 -12.561 10.749 -15.542 372 HD3 PRO 47 3HD PRO 47 -10.888 10.813 -14.910 373 H GLN 48 H GLN 48 -14.625 11.645 -13.393 374 HA GLN 48 HA GLN 48 -16.202 13.650 -12.121 375 HB2 GLN 48 2HB GLN 48 -17.009 10.847 -13.035 376 HB3 GLN 48 3HB GLN 48 -18.084 12.186 -12.670 377 HG2 GLN 48 2HG GLN 48 -18.023 12.224 -14.977 378 HG3 GLN 48 3HG GLN 48 -16.902 13.505 -14.538 379 HE21 GLN 48 2HE2 GLN 48 -16.460 12.903 -17.010 380 HE22 GLN 48 1HE2 GLN 48 -15.177 11.721 -17.235 381 H LEU 49 H LEU 49 -14.996 10.500 -10.871 382 HA LEU 49 HA LEU 49 -16.660 10.303 -8.552 383 HB2 LEU 49 2HB LEU 49 -13.776 9.555 -9.204 384 HB3 LEU 49 3HB LEU 49 -14.489 9.154 -7.660 385 HG LEU 49 HG LEU 49 -15.699 8.193 -10.282 386 HD11 LEU 49 1HD1 LEU 49 -13.716 6.904 -8.368 387 HD12 LEU 49 2HD1 LEU 49 -14.546 6.059 -9.700 388 HD13 LEU 49 3HD1 LEU 49 -13.403 7.391 -10.032 389 HD21 LEU 49 3HD2 LEU 49 -16.000 7.365 -7.352 390 HD22 LEU 49 1HD2 LEU 49 -17.234 8.176 -8.337 391 HD23 LEU 49 2HD2 LEU 49 -16.742 6.524 -8.736 392 H GLY 50 H GLY 50 -13.948 12.478 -9.186 393 HA2 GLY 50 2HA GLY 50 -12.594 13.737 -7.774 394 HA3 GLY 50 3HA GLY 50 -13.703 13.448 -6.431 395 H MET 51 H MET 51 -12.057 12.863 -5.042 396 HA MET 51 HA MET 51 -9.910 11.142 -5.599 397 HB2 MET 51 2HB MET 51 -10.725 11.922 -2.809 398 HB3 MET 51 3HB MET 51 -9.120 11.653 -3.483 399 HG2 MET 51 2HG MET 51 -9.743 13.743 -5.007 400 HG3 MET 51 3HG MET 51 -10.962 14.035 -3.770 401 HE1 MET 51 3HE MET 51 -7.418 14.713 -4.942 402 HE2 MET 51 1HE MET 51 -6.409 14.411 -3.506 403 HE3 MET 51 2HE MET 51 -7.310 13.075 -4.277 404 H ILE 52 H ILE 52 -9.585 9.036 -5.288 405 HA ILE 52 HA ILE 52 -11.417 7.516 -3.533 406 HB ILE 52 HB ILE 52 -11.144 5.566 -5.176 407 HG12 ILE 52 2HG1 ILE 52 -11.098 6.193 -7.577 408 HG13 ILE 52 3HG1 ILE 52 -10.540 7.813 -7.158 409 HG21 ILE 52 1HG2 ILE 52 -13.214 6.878 -4.741 410 HG22 ILE 52 2HG2 ILE 52 -12.785 7.924 -6.130 411 HG23 ILE 52 3HG2 ILE 52 -13.099 6.181 -6.364 412 HD11 ILE 52 3HD1 ILE 52 -8.758 6.307 -7.967 413 HD12 ILE 52 1HD1 ILE 52 -8.423 6.873 -6.333 414 HD13 ILE 52 2HD1 ILE 52 -9.051 5.221 -6.589 415 H ASP 53 H ASP 53 -10.567 5.471 -2.819 416 HA ASP 53 HA ASP 53 -7.678 5.626 -2.142 417 HB2 ASP 53 2HB ASP 53 -9.932 3.889 -1.060 418 HB3 ASP 53 3HB ASP 53 -8.246 3.785 -0.559 419 H ARG 54 H ARG 54 -6.874 5.075 -4.200 420 HA ARG 54 HA ARG 54 -7.834 2.765 -5.703 421 HB2 ARG 54 2HB ARG 54 -6.722 5.038 -6.488 422 HB3 ARG 54 3HB ARG 54 -5.212 4.195 -6.237 423 HG2 ARG 54 2HG ARG 54 -5.404 2.967 -8.096 424 HG3 ARG 54 3HG ARG 54 -7.092 2.573 -7.813 425 HD2 ARG 54 2HD ARG 54 -7.910 4.283 -9.084 426 HD3 ARG 54 3HD ARG 54 -6.658 5.411 -8.610 427 HE ARG 54 HE ARG 54 -5.077 4.110 -10.113 428 HH11 ARG 54 1HH2 ARG 54 -8.494 4.474 -11.085 429 HH12 ARG 54 2HH2 ARG 54 -8.051 3.945 -12.714 430 HH21 ARG 54 1HH1 ARG 54 -4.791 3.583 -12.302 431 HH22 ARG 54 2HH1 ARG 54 -6.232 3.543 -13.318 432 H TRP 55 H TRP 55 -7.218 0.665 -5.407 433 HA TRP 55 HA TRP 55 -5.137 0.093 -3.437 434 HB2 TRP 55 2HB TRP 55 -7.157 -1.701 -4.793 435 HB3 TRP 55 3HB TRP 55 -6.001 -2.229 -3.580 436 HD1 TRP 55 HD1 TRP 55 -9.322 -0.502 -3.924 437 HE1 TRP 55 HE1 TRP 55 -10.296 0.061 -1.627 438 HE3 TRP 55 HE3 TRP 55 -5.253 -1.613 -1.015 439 HZ2 TRP 55 HZ2 TRP 55 -9.389 0.172 1.108 440 HZ3 TRP 55 HZ3 TRP 55 -5.289 -1.114 1.422 441 HH2 TRP 55 HH2 TRP 55 -7.350 -0.240 2.491 442 H TYR 56 H TYR 56 -3.511 -1.384 -3.593 443 HA TYR 56 HA TYR 56 -2.360 -2.300 -6.150 444 HB2 TYR 56 2HB TYR 56 -1.010 -0.491 -4.093 445 HB3 TYR 56 3HB TYR 56 -0.211 -1.237 -5.468 446 HD1 TYR 56 HD1 TYR 56 -0.731 -0.526 -7.764 447 HD2 TYR 56 HD2 TYR 56 -2.380 1.535 -4.383 448 HE1 TYR 56 HE1 TYR 56 -1.363 1.382 -9.251 449 HE2 TYR 56 HE2 TYR 56 -3.036 3.431 -5.860 450 HH TYR 56 HH TYR 56 -2.384 3.408 -9.386 451 H HIS 57 H HIS 57 -0.782 -3.940 -5.862 452 HA HIS 57 HA HIS 57 -0.866 -5.592 -3.451 453 HB2 HIS 57 2HB HIS 57 0.917 -5.758 -5.880 454 HB3 HIS 57 3HB HIS 57 0.999 -6.889 -4.566 455 HD2 HIS 57 HD2 HIS 57 -1.453 -8.212 -3.972 456 HE1 HIS 57 HE1 HIS 57 -2.666 -8.258 -8.045 457 HE2 HIS 57 HE2 HIS 57 -3.027 -9.310 -5.785 458 HA PRO 58 HA PRO 58 2.777 -4.065 -1.216 459 HB2 PRO 58 2HB PRO 58 3.634 -6.953 -1.122 460 HB3 PRO 58 3HB PRO 58 3.589 -5.741 0.201 461 HG2 PRO 58 2HG PRO 58 1.613 -7.563 0.018 462 HG3 PRO 58 3HG PRO 58 1.191 -5.835 0.293 463 HD2 PRO 58 2HD PRO 58 1.187 -7.370 -2.319 464 HD3 PRO 58 3HD PRO 58 -0.082 -6.314 -1.631 465 H GLY 59 H GLY 59 3.392 -6.224 -3.950 466 HA2 GLY 59 2HA GLY 59 6.181 -5.301 -4.294 467 HA3 GLY 59 3HA GLY 59 5.257 -6.341 -5.387 468 H CYS 60 HN CYS 60 3.025 -4.855 -5.972 469 HA CYS 60 HA CYS 60 4.032 -3.243 -7.997 470 HB2 CYS 60 2HB CYS 60 1.186 -3.370 -6.947 471 HB3 CYS 60 3HB CYS 60 1.691 -2.878 -8.569 472 H PHE 61 H PHE 61 2.501 -2.206 -4.907 473 HA PHE 61 HA PHE 61 2.373 0.545 -5.639 474 HB2 PHE 61 2HB PHE 61 1.542 0.900 -3.617 475 HB3 PHE 61 3HB PHE 61 1.431 -0.851 -3.550 476 HD1 PHE 61 HD1 PHE 61 3.296 -2.141 -2.454 477 HD2 PHE 61 HD2 PHE 61 3.019 2.123 -2.197 478 HE1 PHE 61 HE1 PHE 61 4.679 -2.198 -0.364 479 HE2 PHE 61 HE2 PHE 61 4.402 2.099 -0.106 480 HZ PHE 61 HZ PHE 61 5.213 -0.067 0.816 481 H VAL 62 H VAL 62 5.083 -1.349 -4.312 482 HA VAL 62 HA VAL 62 6.934 0.878 -4.163 483 HB VAL 62 HB VAL 62 7.593 -2.068 -4.488 484 HG11 VAL 62 1HG1 VAL 62 9.529 -0.621 -4.977 485 HG12 VAL 62 2HG1 VAL 62 9.255 0.279 -3.466 486 HG13 VAL 62 3HG1 VAL 62 9.738 -1.429 -3.427 487 HG21 VAL 62 3HG2 VAL 62 7.169 -0.352 -2.002 488 HG22 VAL 62 1HG2 VAL 62 6.269 -1.800 -2.490 489 HG23 VAL 62 2HG2 VAL 62 7.945 -1.952 -1.991 490 H LYS 63 H LYS 63 6.120 -1.437 -6.769 491 HA LYS 63 HA LYS 63 8.100 -0.603 -8.636 492 HB2 LYS 63 2HB LYS 63 6.794 -2.679 -8.834 493 HB3 LYS 63 3HB LYS 63 5.314 -1.750 -9.068 494 HG2 LYS 63 2HG LYS 63 6.182 -0.846 -11.204 495 HG3 LYS 63 3HG LYS 63 7.670 -1.771 -10.974 496 HD2 LYS 63 2HD LYS 63 6.170 -2.918 -12.526 497 HD3 LYS 63 3HD LYS 63 6.417 -3.875 -11.073 498 HE2 LYS 63 2HE LYS 63 4.107 -4.009 -11.801 499 HE3 LYS 63 3HE LYS 63 4.191 -3.245 -10.219 500 HZ1 LYS 63 3HZ LYS 63 3.995 -1.670 -12.732 501 HZ2 LYS 63 1HZ LYS 63 2.678 -2.166 -11.909 502 HZ3 LYS 63 2HZ LYS 63 3.703 -1.135 -11.197 503 H ASN 64 H ASN 64 4.852 0.770 -8.042 504 HA ASN 64 HA ASN 64 5.474 2.991 -9.922 505 HB2 ASN 64 2HB ASN 64 2.825 3.320 -9.521 506 HB3 ASN 64 3HB ASN 64 3.577 2.486 -10.857 507 HD21 ASN 64 1HD2 ASN 64 1.896 1.944 -7.731 508 HD22 ASN 64 2HD2 ASN 64 1.408 0.325 -8.217 509 H ARG 65 H ARG 65 6.278 2.606 -6.917 510 HA ARG 65 HA ARG 65 5.081 4.501 -5.325 511 HB2 ARG 65 2HB ARG 65 7.104 4.526 -4.045 512 HB3 ARG 65 3HB ARG 65 6.966 2.936 -4.746 513 HG2 ARG 65 2HG ARG 65 8.537 3.728 -6.615 514 HG3 ARG 65 3HG ARG 65 8.783 5.208 -5.666 515 HD2 ARG 65 2HD ARG 65 9.678 3.961 -3.821 516 HD3 ARG 65 3HD ARG 65 9.331 2.413 -4.609 517 HE ARG 65 HE ARG 65 11.582 4.201 -5.098 518 HH11 ARG 65 1HH2 ARG 65 9.697 1.657 -6.652 519 HH12 ARG 65 2HH2 ARG 65 11.023 1.232 -7.703 520 HH21 ARG 65 1HH1 ARG 65 13.189 3.597 -6.490 521 HH22 ARG 65 2HH1 ARG 65 12.927 2.304 -7.621 522 H GLU 66 H GLU 66 7.383 5.167 -7.897 523 HA GLU 66 HA GLU 66 7.599 7.997 -7.285 524 HB2 GLU 66 2HB GLU 66 9.054 8.062 -9.263 525 HB3 GLU 66 3HB GLU 66 9.513 6.824 -8.085 526 HG2 GLU 66 2HG GLU 66 8.540 5.056 -9.466 527 HG3 GLU 66 3HG GLU 66 7.930 6.245 -10.625 528 H GLU 67 H GLU 67 5.453 6.095 -9.238 529 HA GLU 67 HA GLU 67 4.313 8.393 -10.680 530 HB2 GLU 67 2HB GLU 67 4.373 6.020 -11.594 531 HB3 GLU 67 3HB GLU 67 3.202 5.589 -10.351 532 HG2 GLU 67 2HG GLU 67 1.989 5.960 -12.356 533 HG3 GLU 67 3HG GLU 67 1.627 7.312 -11.296 534 H LEU 68 H LEU 68 3.572 6.300 -7.855 535 HA LEU 68 HA LEU 68 1.223 7.735 -6.999 536 HB2 LEU 68 2HB LEU 68 3.191 5.977 -5.487 537 HB3 LEU 68 3HB LEU 68 1.649 6.521 -4.838 538 HG LEU 68 HG LEU 68 1.967 4.733 -7.292 539 HD11 LEU 68 1HD1 LEU 68 1.097 2.954 -5.814 540 HD12 LEU 68 2HD1 LEU 68 2.647 3.590 -5.228 541 HD13 LEU 68 3HD1 LEU 68 1.129 4.075 -4.441 542 HD21 LEU 68 3HD2 LEU 68 -0.536 5.429 -5.721 543 HD22 LEU 68 1HD2 LEU 68 -0.136 6.063 -7.340 544 HD23 LEU 68 2HD2 LEU 68 -0.404 4.342 -7.111 545 H GLY 69 H GLY 69 4.656 8.395 -6.467 546 HA2 GLY 69 2HA GLY 69 5.336 10.678 -6.200 547 HA3 GLY 69 3HA GLY 69 3.868 11.038 -5.299 548 H PHE 70 H PHE 70 5.625 8.132 -4.440 549 HA PHE 70 HA PHE 70 6.201 8.963 -1.743 550 HB2 PHE 70 2HB PHE 70 7.076 6.656 -3.490 551 HB3 PHE 70 3HB PHE 70 7.767 6.892 -1.908 552 HD1 PHE 70 HD1 PHE 70 4.537 6.148 -3.644 553 HD2 PHE 70 HD2 PHE 70 6.648 6.357 0.093 554 HE1 PHE 70 HE1 PHE 70 2.738 4.827 -2.555 555 HE2 PHE 70 HE2 PHE 70 4.876 5.019 1.187 556 HZ PHE 70 HZ PHE 70 2.908 4.250 -0.144 557 H ARG 71 H ARG 71 7.997 9.650 -0.791 558 HA ARG 71 HA ARG 71 10.603 9.833 -2.185 559 HB2 ARG 71 2HB ARG 71 9.239 12.029 -0.566 560 HB3 ARG 71 3HB ARG 71 10.965 12.018 -0.897 561 HG2 ARG 71 2HG ARG 71 10.638 12.244 -3.268 562 HG3 ARG 71 3HG ARG 71 8.896 11.961 -3.128 563 HD2 ARG 71 2HD ARG 71 9.364 14.355 -3.435 564 HD3 ARG 71 3HD ARG 71 8.559 13.998 -1.910 565 HE ARG 71 HE ARG 71 10.406 14.721 -0.701 566 HH11 ARG 71 1HH2 ARG 71 11.485 14.575 -4.050 567 HH12 ARG 71 2HH2 ARG 71 12.977 15.382 -3.650 568 HH21 ARG 71 1HH1 ARG 71 12.161 15.642 -0.289 569 HH22 ARG 71 2HH1 ARG 71 13.382 16.007 -1.517 570 HA PRO 72 HA PRO 72 12.174 7.826 1.408 571 HB2 PRO 72 2HB PRO 72 14.265 9.995 1.619 572 HB3 PRO 72 3HB PRO 72 14.475 8.215 1.664 573 HG2 PRO 72 2HG PRO 72 15.029 9.574 -0.605 574 HG3 PRO 72 3HG PRO 72 14.094 8.043 -0.698 575 HD2 PRO 72 2HD PRO 72 13.042 10.890 -0.751 576 HD3 PRO 72 3HD PRO 72 12.616 9.506 -1.798 577 H GLU 73 H GLU 73 11.642 11.313 1.795 578 HA GLU 73 HA GLU 73 11.656 11.332 4.674 579 HB2 GLU 73 2HB GLU 73 10.709 13.557 4.456 580 HB3 GLU 73 3HB GLU 73 12.018 13.331 3.297 581 HG2 GLU 73 2HG GLU 73 10.251 12.845 1.530 582 HG3 GLU 73 3HG GLU 73 9.026 13.294 2.717 583 H TYR 74 H TYR 74 9.340 9.997 2.529 584 HA TYR 74 HA TYR 74 7.686 9.294 4.790 585 HB2 TYR 74 2HB TYR 74 5.537 10.039 3.622 586 HB3 TYR 74 3HB TYR 74 6.497 11.202 4.485 587 HD1 TYR 74 HD1 TYR 74 6.860 10.004 0.898 588 HD2 TYR 74 HD2 TYR 74 6.042 13.265 3.600 589 HE1 TYR 74 HE1 TYR 74 6.702 11.567 -1.029 590 HE2 TYR 74 HE2 TYR 74 5.881 14.820 1.664 591 HH TYR 74 HH TYR 74 6.191 13.685 -1.718 592 H SER 75 H SER 75 9.118 7.474 3.817 593 HA SER 75 HA SER 75 7.917 5.891 1.704 594 HB2 SER 75 2HB SER 75 9.971 5.240 3.816 595 HB3 SER 75 3HB SER 75 9.530 4.202 2.446 596 HG SER 75 HG SER 75 11.342 5.464 1.936 597 H ALA 76 H ALA 76 7.895 3.287 2.874 598 HA ALA 76 HA ALA 76 5.198 3.011 3.326 599 HB1 ALA 76 1HB ALA 76 6.757 1.235 2.593 600 HB2 ALA 76 2HB ALA 76 7.438 1.151 4.235 601 HB3 ALA 76 3HB ALA 76 5.745 0.700 3.947 602 H SER 77 H SER 77 7.431 3.930 5.869 603 HA SER 77 HA SER 77 5.898 3.049 8.132 604 HB2 SER 77 2HB SER 77 7.267 4.826 9.301 605 HB3 SER 77 3HB SER 77 8.219 3.637 8.391 606 HG SER 77 HG SER 77 8.891 5.819 8.009 607 H GLN 78 H GLN 78 5.441 5.680 5.863 608 HA GLN 78 HA GLN 78 3.613 7.115 7.623 609 HB2 GLN 78 2HB GLN 78 4.836 7.794 4.925 610 HB3 GLN 78 3HB GLN 78 3.728 8.843 5.799 611 HG2 GLN 78 2HG GLN 78 6.449 7.944 6.852 612 HG3 GLN 78 3HG GLN 78 6.060 9.516 6.158 613 HE21 GLN 78 2HE2 GLN 78 4.543 10.958 7.285 614 HE22 GLN 78 1HE2 GLN 78 4.187 10.657 8.986 615 H LEU 79 H LEU 79 2.950 4.439 6.226 616 HA LEU 79 HA LEU 79 0.460 5.177 4.774 617 HB2 LEU 79 2HB LEU 79 1.790 2.560 5.546 618 HB3 LEU 79 3HB LEU 79 0.216 2.640 4.766 619 HG LEU 79 HG LEU 79 2.617 3.904 3.416 620 HD11 LEU 79 1HD1 LEU 79 1.844 0.969 3.150 621 HD12 LEU 79 2HD1 LEU 79 3.080 1.831 2.218 622 HD13 LEU 79 3HD1 LEU 79 3.296 1.551 3.953 623 HD21 LEU 79 3HD2 LEU 79 0.228 4.156 2.614 624 HD22 LEU 79 1HD2 LEU 79 1.369 3.510 1.423 625 HD23 LEU 79 2HD2 LEU 79 0.232 2.428 2.251 626 H LYS 80 H LYS 80 -1.538 5.193 5.660 627 HA LYS 80 HA LYS 80 -2.064 5.016 8.460 628 HB2 LYS 80 2HB LYS 80 -4.059 4.442 6.225 629 HB3 LYS 80 3HB LYS 80 -4.435 4.822 7.905 630 HG2 LYS 80 2HG LYS 80 -3.257 7.026 7.586 631 HG3 LYS 80 3HG LYS 80 -3.165 6.649 5.851 632 HD2 LYS 80 2HD LYS 80 -5.721 6.920 7.506 633 HD3 LYS 80 3HD LYS 80 -5.043 8.172 6.458 634 HE2 LYS 80 2HE LYS 80 -5.301 6.676 4.490 635 HE3 LYS 80 3HE LYS 80 -6.010 5.431 5.532 636 HZ1 LYS 80 3HZ LYS 80 -7.724 6.753 4.423 637 HZ2 LYS 80 1HZ LYS 80 -7.825 6.972 6.038 638 HZ3 LYS 80 2HZ LYS 80 -7.171 8.134 5.092 639 H GLY 81 H GLY 81 -2.447 3.364 9.829 640 HA2 GLY 81 2HA GLY 81 -2.931 1.242 10.623 641 HA3 GLY 81 3HA GLY 81 -3.539 0.823 9.022 642 H PHE 82 H PHE 82 -0.333 1.749 8.498 643 HA PHE 82 HA PHE 82 0.679 -0.848 7.993 644 HB2 PHE 82 2HB PHE 82 1.790 0.888 6.947 645 HB3 PHE 82 3HB PHE 82 1.854 1.893 8.387 646 HD1 PHE 82 HD1 PHE 82 3.541 1.593 10.124 647 HD2 PHE 82 HD2 PHE 82 3.640 -0.676 6.454 648 HE1 PHE 82 HE1 PHE 82 5.909 0.992 10.558 649 HE2 PHE 82 HE2 PHE 82 6.020 -1.235 6.877 650 HZ PHE 82 HZ PHE 82 7.146 -0.431 8.934 651 H SER 83 H SER 83 1.001 1.204 10.909 652 HA SER 83 HA SER 83 2.630 -0.434 12.478 653 HB2 SER 83 2HB SER 83 0.364 1.369 13.408 654 HB3 SER 83 3HB SER 83 1.763 0.842 14.370 655 HG SER 83 HG SER 83 2.107 2.920 13.493 656 H LEU 84 H LEU 84 -0.699 -1.002 11.643 657 HA LEU 84 HA LEU 84 -1.209 -2.809 13.934 658 HB2 LEU 84 2HB LEU 84 -3.059 -1.893 11.704 659 HB3 LEU 84 3HB LEU 84 -3.520 -2.778 13.152 660 HG LEU 84 HG LEU 84 -2.457 0.083 13.079 661 HD11 LEU 84 1HD1 LEU 84 -5.227 -1.020 13.686 662 HD12 LEU 84 2HD1 LEU 84 -4.731 0.685 13.766 663 HD13 LEU 84 3HD1 LEU 84 -4.746 -0.161 12.206 664 HD21 LEU 84 3HD2 LEU 84 -3.107 0.158 15.474 665 HD22 LEU 84 1HD2 LEU 84 -3.460 -1.584 15.430 666 HD23 LEU 84 2HD2 LEU 84 -1.798 -0.994 15.192 667 H LEU 85 H LEU 85 0.204 -3.158 10.924 668 HA LEU 85 HA LEU 85 -0.789 -5.857 10.275 669 HB2 LEU 85 2HB LEU 85 1.772 -4.472 9.438 670 HB3 LEU 85 3HB LEU 85 1.063 -5.891 8.689 671 HG LEU 85 HG LEU 85 -0.193 -3.115 8.644 672 HD11 LEU 85 1HD1 LEU 85 1.381 -4.602 6.504 673 HD12 LEU 85 2HD1 LEU 85 0.560 -3.039 6.304 674 HD13 LEU 85 3HD1 LEU 85 1.937 -3.177 7.410 675 HD21 LEU 85 3HD2 LEU 85 -1.834 -4.955 8.354 676 HD22 LEU 85 1HD2 LEU 85 -1.625 -3.960 6.902 677 HD23 LEU 85 2HD2 LEU 85 -0.855 -5.553 6.993 678 H ALA 86 H ALA 86 0.893 -7.707 10.283 679 HA ALA 86 HA ALA 86 2.055 -8.067 12.911 680 HB1 ALA 86 1HB ALA 86 2.460 -9.642 10.342 681 HB2 ALA 86 2HB ALA 86 2.914 -10.166 11.977 682 HB3 ALA 86 3HB ALA 86 1.202 -9.943 11.565 683 H THR 87 H THR 87 4.256 -8.127 13.512 684 HA THR 87 HA THR 87 5.908 -6.062 12.639 685 HB THR 87 HB THR 87 6.860 -8.645 13.908 686 HG1 THR 87 1HG THR 87 6.324 -7.635 15.854 687 HG21 THR 87 1HG2 THR 87 8.709 -7.106 13.336 688 HG22 THR 87 2HG2 THR 87 7.860 -5.763 14.133 689 HG23 THR 87 3HG2 THR 87 8.466 -7.138 15.085 690 H GLU 88 H GLU 88 5.963 -9.467 11.516 691 HA GLU 88 HA GLU 88 8.314 -9.225 9.901 692 HB2 GLU 88 2HB GLU 88 7.610 -11.294 8.868 693 HB3 GLU 88 3HB GLU 88 7.420 -11.367 10.618 694 HG2 GLU 88 2HG GLU 88 4.957 -10.917 10.331 695 HG3 GLU 88 3HG GLU 88 5.184 -10.965 8.582 696 H ASP 89 H ASP 89 4.979 -8.254 9.245 697 HA ASP 89 HA ASP 89 5.474 -7.780 6.370 698 HB2 ASP 89 2HB ASP 89 3.163 -6.935 8.156 699 HB3 ASP 89 3HB ASP 89 3.258 -6.691 6.419 700 H LYS 90 H LYS 90 5.225 -5.857 9.378 701 HA LYS 90 HA LYS 90 5.641 -3.270 8.229 702 HB2 LYS 90 2HB LYS 90 6.194 -4.440 10.980 703 HB3 LYS 90 3HB LYS 90 6.498 -2.737 10.610 704 HG2 LYS 90 2HG LYS 90 4.257 -2.227 10.276 705 HG3 LYS 90 3HG LYS 90 3.820 -3.879 9.867 706 HD2 LYS 90 2HD LYS 90 2.817 -3.335 11.956 707 HD3 LYS 90 3HD LYS 90 4.043 -4.577 12.211 708 HE2 LYS 90 2HE LYS 90 5.612 -2.866 13.069 709 HE3 LYS 90 3HE LYS 90 4.419 -1.600 12.733 710 HZ1 LYS 90 3HZ LYS 90 2.919 -2.670 14.334 711 HZ2 LYS 90 1HZ LYS 90 4.019 -3.841 14.650 712 HZ3 LYS 90 2HZ LYS 90 4.335 -2.294 15.069 713 H GLU 91 H GLU 91 8.039 -5.653 9.384 714 HA GLU 91 HA GLU 91 10.341 -4.064 8.615 715 HB2 GLU 91 2HB GLU 91 9.977 -7.057 9.014 716 HB3 GLU 91 3HB GLU 91 11.529 -6.287 8.694 717 HG2 GLU 91 2HG GLU 91 9.757 -5.675 11.095 718 HG3 GLU 91 3HG GLU 91 11.132 -6.769 11.103 719 H ALA 92 H ALA 92 8.481 -6.611 6.834 720 HA ALA 92 HA ALA 92 10.213 -6.613 4.573 721 HB1 ALA 92 1HB ALA 92 8.390 -7.818 3.468 722 HB2 ALA 92 2HB ALA 92 8.683 -8.432 5.107 723 HB3 ALA 92 3HB ALA 92 7.284 -7.373 4.789 724 H LEU 93 H LEU 93 7.245 -4.620 5.132 725 HA LEU 93 HA LEU 93 7.244 -3.401 2.542 726 HB2 LEU 93 2HB LEU 93 5.991 -2.906 5.239 727 HB3 LEU 93 3HB LEU 93 6.040 -1.570 4.098 728 HG LEU 93 HG LEU 93 4.899 -2.876 2.400 729 HD11 LEU 93 1HD1 LEU 93 5.524 -5.195 3.021 730 HD12 LEU 93 2HD1 LEU 93 4.494 -5.061 4.465 731 HD13 LEU 93 3HD1 LEU 93 3.780 -4.982 2.846 732 HD21 LEU 93 3HD2 LEU 93 3.596 -1.490 3.955 733 HD22 LEU 93 1HD2 LEU 93 2.682 -2.946 3.523 734 HD23 LEU 93 2HD2 LEU 93 3.486 -2.849 5.100 735 H LYS 94 H LYS 94 8.902 -2.468 5.596 736 HA LYS 94 HA LYS 94 10.128 -0.082 4.469 737 HB2 LYS 94 2HB LYS 94 10.839 -1.829 6.849 738 HB3 LYS 94 3HB LYS 94 11.716 -0.354 6.422 739 HG2 LYS 94 2HG LYS 94 9.653 0.987 6.648 740 HG3 LYS 94 3HG LYS 94 8.747 -0.453 7.110 741 HD2 LYS 94 2HD LYS 94 11.103 0.752 8.632 742 HD3 LYS 94 3HD LYS 94 9.395 0.889 9.082 743 HE2 LYS 94 2HE LYS 94 9.255 -1.573 9.356 744 HE3 LYS 94 3HE LYS 94 10.943 -1.733 8.868 745 HZ1 LYS 94 3HZ LYS 94 9.991 -0.407 11.338 746 HZ2 LYS 94 1HZ LYS 94 10.826 -1.823 11.199 747 HZ3 LYS 94 2HZ LYS 94 11.555 -0.405 10.834 748 H LYS 95 H LYS 95 11.248 -3.488 4.779 749 HA LYS 95 HA LYS 95 13.817 -3.016 3.679 750 HB2 LYS 95 2HB LYS 95 12.101 -5.505 3.824 751 HB3 LYS 95 3HB LYS 95 13.671 -5.528 3.013 752 HG2 LYS 95 2HG LYS 95 14.780 -4.656 5.042 753 HG3 LYS 95 3HG LYS 95 13.255 -4.693 5.918 754 HD2 LYS 95 2HD LYS 95 14.700 -7.100 4.721 755 HD3 LYS 95 3HD LYS 95 14.701 -6.627 6.425 756 HE2 LYS 95 2HE LYS 95 12.217 -6.926 6.488 757 HE3 LYS 95 3HE LYS 95 12.261 -7.487 4.809 758 HZ1 LYS 95 3HZ LYS 95 12.293 -9.360 6.358 759 HZ2 LYS 95 1HZ LYS 95 13.695 -9.323 5.526 760 HZ3 LYS 95 2HZ LYS 95 13.653 -8.814 7.077 761 H GLN 96 H GLN 96 10.812 -3.152 1.985 762 HA GLN 96 HA GLN 96 12.135 -3.285 -0.683 763 HB2 GLN 96 2HB GLN 96 9.226 -3.311 0.193 764 HB3 GLN 96 3HB GLN 96 9.761 -3.294 -1.494 765 HG2 GLN 96 2HG GLN 96 10.829 -5.435 -1.309 766 HG3 GLN 96 3HG GLN 96 10.643 -5.468 0.445 767 HE21 GLN 96 2HE2 GLN 96 8.451 -5.606 1.343 768 HE22 GLN 96 1HE2 GLN 96 7.198 -6.412 0.386 769 H LEU 97 H LEU 97 10.301 -1.032 1.408 770 HA LEU 97 HA LEU 97 11.318 1.242 -0.199 771 HB2 LEU 97 2HB LEU 97 9.120 0.656 -1.041 772 HB3 LEU 97 3HB LEU 97 8.416 0.747 0.568 773 HG LEU 97 HG LEU 97 8.636 3.139 0.634 774 HD11 LEU 97 1HD1 LEU 97 9.661 4.414 -1.279 775 HD12 LEU 97 2HD1 LEU 97 10.834 3.519 -0.312 776 HD13 LEU 97 3HD1 LEU 97 10.323 2.871 -1.886 777 HD21 LEU 97 3HD2 LEU 97 7.803 2.297 -2.171 778 HD22 LEU 97 1HD2 LEU 97 6.789 2.226 -0.717 779 HD23 LEU 97 2HD2 LEU 97 7.332 3.793 -1.337 780 HA PRO 98 HA PRO 98 11.812 2.039 4.292 781 HB2 PRO 98 2HB PRO 98 14.542 2.389 4.380 782 HB3 PRO 98 3HB PRO 98 13.720 0.811 4.473 783 HG2 PRO 98 2HG PRO 98 15.251 1.977 2.202 784 HG3 PRO 98 3HG PRO 98 14.855 0.265 2.559 785 HD2 PRO 98 2HD PRO 98 13.543 2.057 0.707 786 HD3 PRO 98 3HD PRO 98 13.166 0.351 1.071 787 H GLY 99 H GLY 99 12.209 4.062 5.448 788 HA2 GLY 99 2HA GLY 99 12.329 6.471 3.754 789 HA3 GLY 99 3HA GLY 99 11.748 6.356 5.407 790 H VAL 100 H VAL 100 13.002 8.275 5.532 791 HA VAL 100 HA VAL 100 15.834 7.851 6.416 792 HB VAL 100 HB VAL 100 15.389 8.894 4.040 793 HG11 VAL 100 1HG1 VAL 100 15.069 11.446 5.627 794 HG12 VAL 100 2HG1 VAL 100 15.070 11.227 3.869 795 HG13 VAL 100 3HG1 VAL 100 13.739 10.570 4.836 796 HG21 VAL 100 3HG2 VAL 100 17.312 10.341 5.885 797 HG22 VAL 100 1HG2 VAL 100 17.598 8.749 5.136 798 HG23 VAL 100 2HG2 VAL 100 17.395 10.186 4.124 799 H LYS 101 H LYS 101 16.652 9.777 7.653 800 HA LYS 101 HA LYS 101 14.768 10.267 9.802 801 HB2 LYS 101 2HB LYS 101 17.328 9.723 9.968 802 HB3 LYS 101 3HB LYS 101 17.535 11.475 9.757 803 HG2 LYS 101 2HG LYS 101 15.683 11.673 11.585 804 HG3 LYS 101 3HG LYS 101 15.945 9.954 11.862 805 HD2 LYS 101 2HD LYS 101 18.091 12.126 12.099 806 HD3 LYS 101 3HD LYS 101 17.116 11.524 13.443 807 HE2 LYS 101 2HE LYS 101 17.983 9.196 12.949 808 HE3 LYS 101 3HE LYS 101 19.089 9.911 11.764 809 HZ1 LYS 101 3HZ LYS 101 20.047 11.235 13.581 810 HZ2 LYS 101 1HZ LYS 101 18.988 10.591 14.657 811 HZ3 LYS 101 2HZ LYS 101 20.137 9.646 13.958 812 H SER 102 H SER 102 13.561 11.395 7.777 813 HA SER 102 HA SER 102 13.675 14.282 7.711 814 HB2 SER 102 2HB SER 102 11.249 14.092 7.168 815 HB3 SER 102 3HB SER 102 12.292 13.071 6.163 816 HG SER 102 HG SER 102 10.411 11.957 6.954 817 H GLU 103 H GLU 103 12.420 11.994 10.109 818 HA GLU 103 HA GLU 103 11.566 14.066 12.003 819 HB2 GLU 103 2HB GLU 103 10.568 11.767 11.847 820 HB3 GLU 103 3HB GLU 103 12.079 11.100 12.470 821 HG2 GLU 103 2HG GLU 103 11.767 12.432 14.570 822 HG3 GLU 103 3HG GLU 103 10.299 13.137 13.895 823 H GLY 104 H GLY 104 13.722 15.173 11.484 824 HA2 GLY 104 2HA GLY 104 16.218 14.115 11.929 825 HA3 GLY 104 3HA GLY 104 15.855 15.837 11.976 826 H LYS 105 H LYS 105 14.148 15.079 14.523 827 HA LYS 105 HA LYS 105 16.261 15.536 16.525 828 HB2 LYS 105 2HB LYS 105 13.245 15.166 16.783 829 HB3 LYS 105 3HB LYS 105 14.335 15.586 18.108 830 HG2 LYS 105 2HG LYS 105 14.996 17.666 16.928 831 HG3 LYS 105 3HG LYS 105 13.856 17.286 15.621 832 HD2 LYS 105 2HD LYS 105 11.986 17.279 17.261 833 HD3 LYS 105 3HD LYS 105 13.104 17.736 18.549 834 HE2 LYS 105 2HE LYS 105 12.572 19.371 16.022 835 HE3 LYS 105 3HE LYS 105 11.760 19.631 17.568 836 HZ1 LYS 105 3HZ LYS 105 14.685 19.911 17.124 837 HZ2 LYS 105 1HZ LYS 105 13.629 21.135 17.330 838 HZ3 LYS 105 2HZ LYS 105 13.934 20.113 18.564 839 H ARG 106 H ARG 106 14.934 12.722 15.128 840 HA ARG 106 HA ARG 106 14.737 11.024 17.415 841 HB2 ARG 106 2HB ARG 106 13.638 10.767 15.155 842 HB3 ARG 106 3HB ARG 106 15.188 10.212 14.513 843 HG2 ARG 106 2HG ARG 106 15.127 8.311 16.166 844 HG3 ARG 106 3HG ARG 106 13.559 8.916 16.746 845 HD2 ARG 106 2HD ARG 106 12.705 8.681 14.348 846 HD3 ARG 106 3HD ARG 106 14.231 7.901 13.950 847 HE ARG 106 HE ARG 106 13.614 5.993 15.168 848 HH11 ARG 106 1HH2 ARG 106 11.049 8.420 15.557 849 HH12 ARG 106 2HH2 ARG 106 10.020 7.261 16.353 850 HH21 ARG 106 1HH1 ARG 106 12.186 4.615 16.134 851 HH22 ARG 106 2HH1 ARG 106 10.620 5.179 16.631 852 H LYS 107 H LYS 107 16.143 9.802 18.501 853 HA LYS 107 HA LYS 107 18.824 9.104 17.415 854 HB2 LYS 107 2HB LYS 107 18.363 10.431 20.124 855 HB3 LYS 107 3HB LYS 107 19.867 9.665 19.610 856 HG2 LYS 107 2HG LYS 107 20.015 11.315 17.704 857 HG3 LYS 107 3HG LYS 107 18.571 12.113 18.343 858 HD2 LYS 107 2HD LYS 107 20.408 13.375 19.138 859 HD3 LYS 107 3HD LYS 107 19.800 12.457 20.523 860 HE2 LYS 107 2HE LYS 107 21.623 10.733 20.056 861 HE3 LYS 107 3HE LYS 107 22.253 11.823 18.811 862 HZ1 LYS 107 3HZ LYS 107 23.400 12.164 20.917 863 HZ2 LYS 107 1HZ LYS 107 22.520 13.507 20.602 864 HZ3 LYS 107 2HZ LYS 107 21.989 12.412 21.709 865 H GLY 108 H GLY 108 19.836 7.348 18.345 866 HA2 GLY 108 2HA GLY 108 18.107 5.258 19.453 867 HA3 GLY 108 3HA GLY 108 19.839 5.155 19.122 868 H ASP 109 H ASP 109 17.512 5.507 21.517 869 HA ASP 109 HA ASP 109 18.787 6.887 23.608 870 HB2 ASP 109 2HB ASP 109 16.416 6.085 23.515 871 HB3 ASP 109 3HB ASP 109 16.986 4.439 23.783 872 H GLU 110 H GLU 110 19.821 3.893 22.301 873 HA GLU 110 HA GLU 110 21.371 3.188 24.690 874 HB2 GLU 110 2HB GLU 110 22.052 1.205 23.464 875 HB3 GLU 110 3HB GLU 110 20.304 1.410 23.386 876 HG2 GLU 110 2HG GLU 110 20.526 2.371 21.089 877 HG3 GLU 110 3HG GLU 110 22.273 2.152 21.170 878 H VAL 111 H VAL 111 21.888 5.333 22.143 879 HA VAL 111 HA VAL 111 24.825 5.334 22.619 880 HB VAL 111 HB VAL 111 24.203 4.117 20.524 881 HG11 VAL 111 1HG1 VAL 111 23.427 6.866 19.476 882 HG12 VAL 111 2HG1 VAL 111 23.605 5.383 18.516 883 HG13 VAL 111 3HG1 VAL 111 22.335 5.486 19.738 884 HG21 VAL 111 3HG2 VAL 111 25.962 4.967 19.170 885 HG22 VAL 111 1HG2 VAL 111 25.924 6.546 19.969 886 HG23 VAL 111 2HG2 VAL 111 26.454 5.103 20.866 887 H ASP 112 H ASP 112 22.077 7.124 22.766 888 HA ASP 112 HA ASP 112 22.892 9.779 22.125 889 HB2 ASP 112 2HB ASP 112 20.575 9.213 22.488 890 HB3 ASP 112 3HB ASP 112 20.900 8.680 24.135 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 18.595 14.193 16.870 2 H2 GLY 1 H2 GLY 1 16.992 14.234 17.211 3 H3 GLY 1 H3 GLY 1 17.584 15.104 15.956 4 HA2 GLY 1 2HA GLY 1 18.204 13.095 14.773 5 HA3 GLY 1 3HA GLY 1 17.543 12.160 16.127 6 H SER 2 H SER 2 16.092 11.128 14.653 7 HA SER 2 HA SER 2 13.543 12.552 14.332 8 HB2 SER 2 2HB SER 2 14.873 12.934 12.192 9 HB3 SER 2 3HB SER 2 14.762 11.187 11.904 10 HG SER 2 HG SER 2 13.059 12.494 10.931 11 H LYS 3 H LYS 3 11.907 10.905 13.317 12 HA LYS 3 HA LYS 3 12.369 8.092 14.028 13 HB2 LYS 3 2HB LYS 3 11.684 9.224 16.183 14 HB3 LYS 3 3HB LYS 3 10.147 9.652 15.419 15 HG2 LYS 3 2HG LYS 3 9.669 7.213 15.092 16 HG3 LYS 3 3HG LYS 3 11.215 6.821 15.875 17 HD2 LYS 3 2HD LYS 3 10.417 7.937 17.957 18 HD3 LYS 3 3HD LYS 3 8.901 8.353 17.134 19 HE2 LYS 3 2HE LYS 3 8.645 5.818 16.686 20 HE3 LYS 3 3HE LYS 3 9.948 5.583 17.861 21 HZ1 LYS 3 3HZ LYS 3 8.530 6.800 19.483 22 HZ2 LYS 3 1HZ LYS 3 7.352 6.941 18.340 23 HZ3 LYS 3 2HZ LYS 3 7.763 5.465 18.922 24 H ALA 4 H ALA 4 11.050 6.694 12.945 25 HA ALA 4 HA ALA 4 9.232 7.823 10.884 26 HB1 ALA 4 1HB ALA 4 10.571 5.097 11.111 27 HB2 ALA 4 2HB ALA 4 9.578 5.669 9.756 28 HB3 ALA 4 3HB ALA 4 11.123 6.459 10.109 29 H GLU 5 H GLU 5 7.423 8.258 12.040 30 HA GLU 5 HA GLU 5 5.667 5.957 12.584 31 HB2 GLU 5 2HB GLU 5 5.015 6.694 14.766 32 HB3 GLU 5 3HB GLU 5 6.759 6.416 14.739 33 HG2 GLU 5 2HG GLU 5 7.270 8.712 14.906 34 HG3 GLU 5 3HG GLU 5 5.674 9.218 14.357 35 H LYS 6 H LYS 6 3.392 6.817 13.182 36 HA LYS 6 HA LYS 6 1.469 7.696 12.354 37 HB2 LYS 6 2HB LYS 6 3.018 10.307 12.145 38 HB3 LYS 6 3HB LYS 6 1.265 10.116 12.127 39 HG2 LYS 6 2HG LYS 6 1.390 9.092 14.425 40 HG3 LYS 6 3HG LYS 6 3.112 9.524 14.464 41 HD2 LYS 6 2HD LYS 6 2.503 11.926 14.124 42 HD3 LYS 6 3HD LYS 6 0.800 11.468 14.044 43 HE2 LYS 6 2HE LYS 6 1.058 12.258 16.226 44 HE3 LYS 6 3HE LYS 6 1.033 10.500 16.389 45 HZ1 LYS 6 3HZ LYS 6 2.810 11.516 17.705 46 HZ2 LYS 6 1HZ LYS 6 3.484 10.559 16.573 47 HZ3 LYS 6 2HZ LYS 6 3.486 12.186 16.381 48 H THR 7 H THR 7 0.773 9.478 10.392 49 HA THR 7 HA THR 7 1.723 8.179 7.858 50 HB THR 7 HB THR 7 -1.066 9.203 8.443 51 HG1 THR 7 1HG THR 7 -0.680 7.457 9.777 52 HG21 THR 7 1HG2 THR 7 -0.139 8.698 5.953 53 HG22 THR 7 2HG2 THR 7 -0.517 7.063 6.410 54 HG23 THR 7 3HG2 THR 7 -1.765 8.338 6.450 55 H LEU 8 H LEU 8 1.878 9.524 6.001 56 HA LEU 8 HA LEU 8 2.053 12.400 6.435 57 HB2 LEU 8 2HB LEU 8 2.921 12.608 4.363 58 HB3 LEU 8 3HB LEU 8 3.403 10.970 4.753 59 HG LEU 8 HG LEU 8 1.083 11.813 2.943 60 HD11 LEU 8 1HD1 LEU 8 3.718 10.479 2.259 61 HD12 LEU 8 2HD1 LEU 8 2.428 10.927 1.129 62 HD13 LEU 8 3HD1 LEU 8 3.328 12.191 1.984 63 HD21 LEU 8 3HD2 LEU 8 2.126 9.049 3.643 64 HD22 LEU 8 1HD2 LEU 8 0.502 9.665 3.964 65 HD23 LEU 8 2HD2 LEU 8 1.015 9.391 2.304 66 H GLY 9 H GLY 9 -0.670 10.438 5.845 67 HA2 GLY 9 2HA GLY 9 -2.905 11.053 5.746 68 HA3 GLY 9 3HA GLY 9 -2.451 12.741 5.520 69 H ASP 10 H ASP 10 -1.716 9.777 3.550 70 HA ASP 10 HA ASP 10 -3.277 10.808 1.310 71 HB2 ASP 10 2HB ASP 10 -0.717 11.765 1.434 72 HB3 ASP 10 3HB ASP 10 -0.441 10.253 0.555 73 H PHE 11 H PHE 11 -1.217 8.187 2.618 74 HA PHE 11 HA PHE 11 -2.730 6.273 0.948 75 HB2 PHE 11 2HB PHE 11 -0.479 5.053 0.574 76 HB3 PHE 11 3HB PHE 11 -0.980 6.359 -0.440 77 HD1 PHE 11 HD2 PHE 11 1.093 6.081 2.749 78 HD2 PHE 11 HD1 PHE 11 0.643 7.745 -1.208 79 HE1 PHE 11 HE2 PHE 11 3.394 6.967 2.853 80 HE2 PHE 11 HE1 PHE 11 2.915 8.721 -1.046 81 HZ PHE 11 HZ PHE 11 4.307 8.306 0.973 82 H ALA 12 H ALA 12 -2.640 4.064 1.608 83 HA ALA 12 HA ALA 12 -2.542 3.736 4.571 84 HB1 ALA 12 1HB ALA 12 -4.829 2.893 4.507 85 HB2 ALA 12 2HB ALA 12 -4.784 4.524 3.798 86 HB3 ALA 12 3HB ALA 12 -4.887 3.101 2.746 87 H ALA 13 H ALA 13 -2.664 1.572 5.356 88 HA ALA 13 HA ALA 13 -2.131 -0.663 3.471 89 HB1 ALA 13 1HB ALA 13 -0.480 0.057 5.944 90 HB2 ALA 13 2HB ALA 13 -0.198 -1.304 4.826 91 HB3 ALA 13 3HB ALA 13 0.014 0.368 4.275 92 H GLU 14 H GLU 14 -3.233 -2.492 4.041 93 HA GLU 14 HA GLU 14 -3.871 -3.155 6.832 94 HB2 GLU 14 2HB GLU 14 -5.621 -1.516 6.306 95 HB3 GLU 14 3HB GLU 14 -5.990 -2.341 4.802 96 HG2 GLU 14 2HG GLU 14 -7.714 -2.677 6.439 97 HG3 GLU 14 3HG GLU 14 -6.981 -4.192 5.994 98 H TYR 15 H TYR 15 -4.737 -5.374 7.028 99 HA TYR 15 HA TYR 15 -3.993 -7.250 4.905 100 HB2 TYR 15 2HB TYR 15 -5.790 -7.550 7.340 101 HB3 TYR 15 3HB TYR 15 -5.328 -8.861 6.269 102 HD1 TYR 15 HD2 TYR 15 -2.274 -7.333 6.274 103 HD2 TYR 15 HD1 TYR 15 -5.006 -9.198 9.057 104 HE1 TYR 15 HE2 TYR 15 -0.366 -8.001 7.704 105 HE2 TYR 15 HE1 TYR 15 -3.092 -9.830 10.500 106 HH TYR 15 HH TYR 15 -0.847 -9.833 10.745 107 H ALA 16 H ALA 16 -5.110 -7.964 3.231 108 HA ALA 16 HA ALA 16 -7.501 -6.738 2.341 109 HB1 ALA 16 1HB ALA 16 -6.175 -9.339 1.555 110 HB2 ALA 16 2HB ALA 16 -7.401 -8.488 0.585 111 HB3 ALA 16 3HB ALA 16 -5.810 -7.745 0.877 112 H LYS 17 H LYS 17 -9.301 -6.847 3.582 113 HA LYS 17 HA LYS 17 -10.187 -9.218 4.986 114 HB2 LYS 17 2HB LYS 17 -11.835 -6.753 4.303 115 HB3 LYS 17 3HB LYS 17 -12.111 -7.889 5.617 116 HG2 LYS 17 2HG LYS 17 -9.814 -5.900 5.386 117 HG3 LYS 17 3HG LYS 17 -11.218 -5.777 6.434 118 HD2 LYS 17 2HD LYS 17 -10.481 -7.680 7.782 119 HD3 LYS 17 3HD LYS 17 -9.173 -8.029 6.644 120 HE2 LYS 17 2HE LYS 17 -8.188 -6.915 8.513 121 HE3 LYS 17 3HE LYS 17 -8.131 -5.849 7.112 122 HZ1 LYS 17 3HZ LYS 17 -10.144 -4.728 8.056 123 HZ2 LYS 17 1HZ LYS 17 -9.988 -5.629 9.417 124 HZ3 LYS 17 2HZ LYS 17 -8.807 -4.570 8.973 125 H SER 18 H SER 18 -10.450 -8.362 1.737 126 HA SER 18 HA SER 18 -12.444 -10.459 1.123 127 HB2 SER 18 2HB SER 18 -13.609 -8.868 -0.375 128 HB3 SER 18 3HB SER 18 -13.680 -8.340 1.310 129 HG SER 18 HG SER 18 -13.128 -6.604 -0.043 130 H ASN 19 H ASN 19 -12.321 -11.181 -1.099 131 HA ASN 19 HA ASN 19 -9.805 -10.518 -2.524 132 HB2 ASN 19 2HB ASN 19 -10.452 -12.910 -2.064 133 HB3 ASN 19 3HB ASN 19 -11.830 -12.702 -3.146 134 HD21 ASN 19 2HD2 ASN 19 -8.543 -11.322 -3.774 135 HD22 ASN 19 1HD2 ASN 19 -8.065 -12.594 -4.873 136 H ARG 20 H ARG 20 -12.251 -8.789 -2.239 137 HA ARG 20 HA ARG 20 -13.279 -8.446 -4.999 138 HB2 ARG 20 2HB ARG 20 -13.938 -7.110 -2.334 139 HB3 ARG 20 3HB ARG 20 -14.757 -6.754 -3.855 140 HG2 ARG 20 2HG ARG 20 -14.780 -9.446 -2.417 141 HG3 ARG 20 3HG ARG 20 -16.081 -8.252 -2.441 142 HD2 ARG 20 2HD ARG 20 -16.244 -8.511 -4.921 143 HD3 ARG 20 3HD ARG 20 -15.005 -9.784 -4.844 144 HE ARG 20 HE ARG 20 -17.096 -10.435 -3.022 145 HH11 ARG 20 1HH2 ARG 20 -16.627 -10.308 -6.493 146 HH12 ARG 20 2HH2 ARG 20 -17.830 -11.534 -6.791 147 HH21 ARG 20 1HH1 ARG 20 -18.616 -11.993 -3.474 148 HH22 ARG 20 2HH1 ARG 20 -18.922 -12.456 -5.121 149 H SER 21 H SER 21 -10.928 -6.958 -2.892 150 HA SER 21 HA SER 21 -10.610 -4.501 -4.397 151 HB2 SER 21 2HB SER 21 -8.306 -4.536 -3.285 152 HB3 SER 21 3HB SER 21 -9.719 -4.457 -2.226 153 HG SER 21 HG SER 21 -8.484 -6.933 -2.899 154 H THR 22 H THR 22 -9.196 -4.027 -6.052 155 HA THR 22 HA THR 22 -7.631 -6.238 -7.322 156 HB THR 22 HB THR 22 -9.270 -4.170 -8.776 157 HG1 THR 22 1HG THR 22 -10.563 -5.814 -7.936 158 HG21 THR 22 1HG2 THR 22 -7.772 -6.530 -9.956 159 HG22 THR 22 2HG2 THR 22 -8.754 -5.353 -10.837 160 HG23 THR 22 3HG2 THR 22 -7.248 -4.832 -10.080 161 H CYS 23 HN CYS 23 -5.641 -5.691 -7.886 162 HA CYS 23 HA CYS 23 -4.495 -3.228 -6.946 163 HB2 CYS 23 2HB CYS 23 -3.288 -5.269 -6.751 164 HB3 CYS 23 3HB CYS 23 -3.582 -5.670 -8.443 165 H LYS 24 H LYS 24 -4.746 -1.402 -7.977 166 HA LYS 24 HA LYS 24 -5.182 -1.174 -10.840 167 HB2 LYS 24 2HB LYS 24 -4.727 0.898 -8.685 168 HB3 LYS 24 3HB LYS 24 -5.408 1.198 -10.299 169 HG2 LYS 24 2HG LYS 24 -6.671 -0.368 -8.001 170 HG3 LYS 24 3HG LYS 24 -7.206 1.148 -8.675 171 HD2 LYS 24 2HD LYS 24 -7.837 0.071 -10.782 172 HD3 LYS 24 3HD LYS 24 -7.360 -1.514 -10.107 173 HE2 LYS 24 2HE LYS 24 -8.952 -1.273 -8.273 174 HE3 LYS 24 3HE LYS 24 -9.362 0.366 -8.779 175 HZ1 LYS 24 3HZ LYS 24 -9.901 -2.084 -10.392 176 HZ2 LYS 24 1HZ LYS 24 -11.022 -1.243 -9.551 177 HZ3 LYS 24 2HZ LYS 24 -10.290 -0.562 -10.839 178 H GLY 25 H GLY 25 -2.427 -1.686 -9.059 179 HA2 GLY 25 2HA GLY 25 -0.494 -0.254 -10.725 180 HA3 GLY 25 3HA GLY 25 -0.171 -1.581 -9.606 181 H CYS 26 HN CYS 26 -1.683 -3.631 -10.622 182 HA CYS 26 HA CYS 26 -0.570 -4.023 -13.360 183 HB2 CYS 26 2HB CYS 26 0.212 -6.166 -12.883 184 HB3 CYS 26 3HB CYS 26 0.827 -5.083 -11.636 185 H MET 27 H MET 27 -3.532 -3.904 -11.952 186 HA MET 27 HA MET 27 -5.607 -4.525 -12.547 187 HB2 MET 27 2HB MET 27 -4.442 -5.331 -15.226 188 HB3 MET 27 3HB MET 27 -6.148 -5.152 -14.867 189 HG2 MET 27 2HG MET 27 -4.261 -2.812 -14.523 190 HG3 MET 27 3HG MET 27 -4.893 -3.284 -16.093 191 HE1 MET 27 3HE MET 27 -5.376 -1.215 -13.050 192 HE2 MET 27 1HE MET 27 -7.130 -1.032 -12.825 193 HE3 MET 27 2HE MET 27 -6.337 -2.554 -12.372 194 H GLU 28 H GLU 28 -4.447 -6.247 -10.854 195 HA GLU 28 HA GLU 28 -5.805 -8.789 -11.597 196 HB2 GLU 28 2HB GLU 28 -2.994 -8.582 -10.471 197 HB3 GLU 28 3HB GLU 28 -3.973 -10.023 -10.284 198 HG2 GLU 28 2HG GLU 28 -3.177 -8.791 -12.940 199 HG3 GLU 28 3HG GLU 28 -2.405 -10.176 -12.164 200 H LYS 29 H LYS 29 -6.518 -10.040 -9.867 201 HA LYS 29 HA LYS 29 -7.711 -8.286 -7.893 202 HB2 LYS 29 2HB LYS 29 -8.967 -10.176 -7.106 203 HB3 LYS 29 3HB LYS 29 -9.000 -10.107 -8.867 204 HG2 LYS 29 2HG LYS 29 -7.231 -11.905 -8.928 205 HG3 LYS 29 3HG LYS 29 -7.328 -11.998 -7.158 206 HD2 LYS 29 2HD LYS 29 -9.794 -12.533 -7.379 207 HD3 LYS 29 3HD LYS 29 -9.585 -12.526 -9.132 208 HE2 LYS 29 2HE LYS 29 -9.497 -14.795 -8.555 209 HE3 LYS 29 3HE LYS 29 -7.812 -14.344 -8.835 210 HZ1 LYS 29 3HZ LYS 29 -8.115 -15.667 -6.793 211 HZ2 LYS 29 1HZ LYS 29 -7.523 -14.196 -6.404 212 HZ3 LYS 29 2HZ LYS 29 -9.107 -14.527 -6.157 213 H ILE 30 H ILE 30 -7.291 -7.942 -5.833 214 HA ILE 30 HA ILE 30 -4.733 -8.892 -4.731 215 HB ILE 30 HB ILE 30 -6.815 -6.877 -3.923 216 HG12 ILE 30 2HG1 ILE 30 -3.823 -6.547 -4.376 217 HG13 ILE 30 3HG1 ILE 30 -4.988 -6.470 -5.691 218 HG21 ILE 30 1HG2 ILE 30 -4.375 -7.568 -2.249 219 HG22 ILE 30 2HG2 ILE 30 -5.606 -6.306 -1.961 220 HG23 ILE 30 3HG2 ILE 30 -6.050 -7.990 -1.801 221 HD11 ILE 30 3HD1 ILE 30 -6.134 -4.570 -4.614 222 HD12 ILE 30 1HD1 ILE 30 -4.927 -4.591 -3.300 223 HD13 ILE 30 2HD1 ILE 30 -4.429 -4.239 -4.959 224 H GLU 31 H GLU 31 -4.475 -10.561 -3.395 225 HA GLU 31 HA GLU 31 -6.690 -12.337 -2.924 226 HB2 GLU 31 2HB GLU 31 -3.795 -12.513 -2.068 227 HB3 GLU 31 3HB GLU 31 -4.981 -13.812 -1.931 228 HG2 GLU 31 2HG GLU 31 -4.049 -12.533 -4.539 229 HG3 GLU 31 3HG GLU 31 -3.472 -14.047 -3.866 230 H LYS 32 H LYS 32 -7.704 -12.924 -1.138 231 HA LYS 32 HA LYS 32 -7.860 -11.134 1.112 232 HB2 LYS 32 2HB LYS 32 -9.746 -12.520 0.275 233 HB3 LYS 32 3HB LYS 32 -8.917 -13.979 0.838 234 HG2 LYS 32 2HG LYS 32 -9.031 -13.143 3.176 235 HG3 LYS 32 3HG LYS 32 -9.812 -11.653 2.604 236 HD2 LYS 32 2HD LYS 32 -11.721 -12.948 1.779 237 HD3 LYS 32 3HD LYS 32 -10.924 -14.461 2.276 238 HE2 LYS 32 2HE LYS 32 -10.931 -13.702 4.633 239 HE3 LYS 32 3HE LYS 32 -11.700 -12.184 4.155 240 HZ1 LYS 32 3HZ LYS 32 -12.919 -14.876 3.834 241 HZ2 LYS 32 1HZ LYS 32 -13.330 -13.785 4.976 242 HZ3 LYS 32 2HZ LYS 32 -13.629 -13.466 3.406 243 H GLY 33 H GLY 33 -7.155 -11.311 3.157 244 HA2 GLY 33 2HA GLY 33 -6.021 -12.053 5.033 245 HA3 GLY 33 3HA GLY 33 -5.769 -13.611 4.250 246 H GLN 34 H GLN 34 -4.500 -11.113 2.319 247 HA GLN 34 HA GLN 34 -1.872 -11.038 3.700 248 HB2 GLN 34 2HB GLN 34 -0.657 -11.172 1.614 249 HB3 GLN 34 3HB GLN 34 -1.593 -12.616 1.931 250 HG2 GLN 34 2HG GLN 34 -1.780 -12.261 -0.392 251 HG3 GLN 34 3HG GLN 34 -3.328 -11.788 0.266 252 HE21 GLN 34 1HE2 GLN 34 -4.007 -9.590 -0.109 253 HE22 GLN 34 2HE2 GLN 34 -2.870 -8.351 -0.666 254 H VAL 35 H VAL 35 -0.527 -9.082 2.851 255 HA VAL 35 HA VAL 35 -2.047 -6.796 3.644 256 HB VAL 35 HB VAL 35 0.712 -6.903 2.369 257 HG11 VAL 35 1HG1 VAL 35 1.084 -4.748 3.574 258 HG12 VAL 35 2HG1 VAL 35 -0.122 -4.601 2.305 259 HG13 VAL 35 3HG1 VAL 35 -0.638 -4.707 4.009 260 HG21 VAL 35 3HG2 VAL 35 -0.122 -6.891 5.297 261 HG22 VAL 35 1HG2 VAL 35 0.636 -8.244 4.433 262 HG23 VAL 35 2HG2 VAL 35 1.541 -6.756 4.692 263 H ARG 36 H ARG 36 -2.960 -5.092 2.582 264 HA ARG 36 HA ARG 36 -2.375 -4.696 -0.293 265 HB2 ARG 36 2HB ARG 36 -4.640 -4.245 -0.877 266 HB3 ARG 36 3HB ARG 36 -4.465 -5.878 -0.217 267 HG2 ARG 36 2HG ARG 36 -5.560 -5.254 1.847 268 HG3 ARG 36 3HG ARG 36 -5.600 -3.558 1.372 269 HD2 ARG 36 2HD ARG 36 -7.039 -4.175 -0.601 270 HD3 ARG 36 3HD ARG 36 -7.057 -5.845 -0.024 271 HE ARG 36 HE ARG 36 -8.000 -3.688 1.797 272 HH11 ARG 36 1HH2 ARG 36 -9.116 -6.209 -0.405 273 HH12 ARG 36 2HH2 ARG 36 -10.654 -6.337 0.384 274 HH21 ARG 36 1HH1 ARG 36 -10.030 -3.851 2.672 275 HH22 ARG 36 2HH1 ARG 36 -11.165 -4.994 2.022 276 H LEU 37 H LEU 37 -2.154 -2.633 -0.957 277 HA LEU 37 HA LEU 37 -2.295 -0.516 1.136 278 HB2 LEU 37 2HB LEU 37 -0.459 -0.452 -1.275 279 HB3 LEU 37 3HB LEU 37 -0.495 0.599 0.154 280 HG LEU 37 HG LEU 37 1.429 -0.573 0.363 281 HD11 LEU 37 1HD1 LEU 37 -0.458 -2.147 2.130 282 HD12 LEU 37 2HD1 LEU 37 1.247 -1.729 2.424 283 HD13 LEU 37 3HD1 LEU 37 0.012 -0.452 2.348 284 HD21 LEU 37 3HD2 LEU 37 0.037 -3.258 -0.024 285 HD22 LEU 37 1HD2 LEU 37 1.025 -2.412 -1.239 286 HD23 LEU 37 2HD2 LEU 37 1.747 -2.945 0.297 287 H SER 38 H SER 38 -2.875 1.648 0.419 288 HA SER 38 HA SER 38 -3.813 1.926 -2.345 289 HB2 SER 38 2HB SER 38 -5.996 2.864 -1.737 290 HB3 SER 38 3HB SER 38 -5.847 1.187 -1.212 291 HG SER 38 HG SER 38 -6.709 2.369 0.474 292 H LYS 39 H LYS 39 -4.237 4.109 -3.002 293 HA LYS 39 HA LYS 39 -3.154 6.254 -1.203 294 HB2 LYS 39 2HB LYS 39 -1.468 5.844 -2.890 295 HB3 LYS 39 3HB LYS 39 -2.675 5.909 -4.182 296 HG2 LYS 39 2HG LYS 39 -3.055 8.281 -3.810 297 HG3 LYS 39 3HG LYS 39 -1.995 8.285 -2.382 298 HD2 LYS 39 2HD LYS 39 -0.046 7.843 -3.733 299 HD3 LYS 39 3HD LYS 39 -1.051 7.470 -5.145 300 HE2 LYS 39 2HE LYS 39 -0.397 9.539 -5.754 301 HE3 LYS 39 3HE LYS 39 -1.897 9.939 -4.917 302 HZ1 LYS 39 3HZ LYS 39 0.825 10.067 -3.742 303 HZ2 LYS 39 1HZ LYS 39 -0.035 11.364 -4.248 304 HZ3 LYS 39 2HZ LYS 39 -0.571 10.526 -2.961 305 H LYS 40 H LYS 40 -4.356 8.047 -1.010 306 HA LYS 40 HA LYS 40 -6.995 8.184 -2.348 307 HB2 LYS 40 2HB LYS 40 -7.134 8.542 -0.069 308 HB3 LYS 40 3HB LYS 40 -5.762 9.610 0.000 309 HG2 LYS 40 2HG LYS 40 -8.341 10.306 -1.536 310 HG3 LYS 40 3HG LYS 40 -8.169 10.578 0.192 311 HD2 LYS 40 2HD LYS 40 -6.775 11.994 -2.062 312 HD3 LYS 40 3HD LYS 40 -7.733 12.667 -0.751 313 HE2 LYS 40 2HE LYS 40 -5.921 12.156 0.867 314 HE3 LYS 40 3HE LYS 40 -4.996 11.369 -0.420 315 HZ1 LYS 40 3HZ LYS 40 -4.988 13.545 -1.585 316 HZ2 LYS 40 1HZ LYS 40 -5.533 14.256 -0.200 317 HZ3 LYS 40 2HZ LYS 40 -4.086 13.446 -0.254 318 H MET 41 H MET 41 -6.989 8.976 -4.336 319 HA MET 41 HA MET 41 -5.864 11.618 -4.882 320 HB2 MET 41 2HB MET 41 -4.464 10.926 -6.782 321 HB3 MET 41 3HB MET 41 -3.849 10.345 -5.242 322 HG2 MET 41 2HG MET 41 -4.846 8.105 -5.702 323 HG3 MET 41 3HG MET 41 -5.397 8.694 -7.275 324 HE1 MET 41 3HE MET 41 -3.745 6.118 -6.703 325 HE2 MET 41 1HE MET 41 -4.214 6.595 -8.354 326 HE3 MET 41 2HE MET 41 -2.531 6.129 -8.007 327 H VAL 42 H VAL 42 -6.863 12.636 -6.677 328 HA VAL 42 HA VAL 42 -9.081 11.547 -7.985 329 HB VAL 42 HB VAL 42 -7.044 13.511 -9.116 330 HG11 VAL 42 1HG1 VAL 42 -9.896 12.895 -10.003 331 HG12 VAL 42 2HG1 VAL 42 -8.924 14.268 -10.576 332 HG13 VAL 42 3HG1 VAL 42 -8.401 12.626 -10.939 333 HG21 VAL 42 3HG2 VAL 42 -8.677 15.251 -8.440 334 HG22 VAL 42 1HG2 VAL 42 -9.679 14.010 -7.663 335 HG23 VAL 42 2HG2 VAL 42 -8.050 14.374 -7.048 336 H ASP 43 H ASP 43 -9.333 9.984 -9.481 337 HA ASP 43 HA ASP 43 -7.144 8.294 -10.187 338 HB2 ASP 43 2HB ASP 43 -9.509 7.587 -9.879 339 HB3 ASP 43 3HB ASP 43 -9.931 8.412 -11.377 340 HA PRO 44 HA PRO 44 -5.760 10.840 -13.589 341 HB2 PRO 44 2HB PRO 44 -3.690 9.297 -14.548 342 HB3 PRO 44 3HB PRO 44 -3.620 10.177 -12.991 343 HG2 PRO 44 2HG PRO 44 -4.370 7.263 -13.439 344 HG3 PRO 44 3HG PRO 44 -3.175 7.929 -12.275 345 HD2 PRO 44 2HD PRO 44 -5.695 7.319 -11.529 346 HD3 PRO 44 3HD PRO 44 -4.875 8.772 -10.880 347 H GLU 45 H GLU 45 -7.164 7.715 -14.015 348 HA GLU 45 HA GLU 45 -7.360 7.960 -16.989 349 HB2 GLU 45 2HB GLU 45 -8.001 5.645 -15.117 350 HB3 GLU 45 3HB GLU 45 -8.092 5.611 -16.872 351 HG2 GLU 45 2HG GLU 45 -5.702 5.811 -17.103 352 HG3 GLU 45 3HG GLU 45 -5.482 6.171 -15.394 353 H LYS 46 H LYS 46 -9.062 8.601 -14.125 354 HA LYS 46 HA LYS 46 -11.694 8.951 -15.455 355 HB2 LYS 46 2HB LYS 46 -11.201 7.224 -13.003 356 HB3 LYS 46 3HB LYS 46 -12.794 7.810 -13.498 357 HG2 LYS 46 2HG LYS 46 -12.615 6.587 -15.623 358 HG3 LYS 46 3HG LYS 46 -11.052 5.909 -15.115 359 HD2 LYS 46 2HD LYS 46 -13.601 5.646 -13.469 360 HD3 LYS 46 3HD LYS 46 -13.113 4.457 -14.698 361 HE2 LYS 46 2HE LYS 46 -10.940 4.134 -13.495 362 HE3 LYS 46 3HE LYS 46 -11.482 5.245 -12.236 363 HZ1 LYS 46 3HZ LYS 46 -11.901 2.957 -11.594 364 HZ2 LYS 46 1HZ LYS 46 -13.341 3.701 -11.794 365 HZ3 LYS 46 2HZ LYS 46 -12.790 2.669 -12.934 366 HA PRO 47 HA PRO 47 -10.232 12.176 -12.325 367 HB2 PRO 47 2HB PRO 47 -10.487 14.433 -13.930 368 HB3 PRO 47 3HB PRO 47 -9.007 13.444 -13.759 369 HG2 PRO 47 2HG PRO 47 -11.133 13.256 -15.914 370 HG3 PRO 47 3HG PRO 47 -9.346 13.281 -16.109 371 HD2 PRO 47 2HD PRO 47 -10.710 10.966 -16.166 372 HD3 PRO 47 3HD PRO 47 -9.134 11.073 -15.326 373 H GLN 48 H GLN 48 -13.078 11.798 -14.292 374 HA GLN 48 HA GLN 48 -14.798 13.752 -13.097 375 HB2 GLN 48 2HB GLN 48 -15.391 11.085 -14.447 376 HB3 GLN 48 3HB GLN 48 -16.611 12.288 -14.005 377 HG2 GLN 48 2HG GLN 48 -15.501 13.965 -15.468 378 HG3 GLN 48 3HG GLN 48 -14.320 12.752 -15.968 379 HE21 GLN 48 2HE2 GLN 48 -15.527 13.798 -18.060 380 HE22 GLN 48 1HE2 GLN 48 -16.808 12.756 -18.667 381 H LEU 49 H LEU 49 -13.668 10.633 -11.835 382 HA LEU 49 HA LEU 49 -15.665 10.189 -9.829 383 HB2 LEU 49 2HB LEU 49 -12.667 9.689 -10.063 384 HB3 LEU 49 3HB LEU 49 -13.533 9.224 -8.619 385 HG LEU 49 HG LEU 49 -14.350 8.181 -11.355 386 HD11 LEU 49 1HD1 LEU 49 -12.041 7.570 -10.894 387 HD12 LEU 49 2HD1 LEU 49 -12.445 7.070 -9.251 388 HD13 LEU 49 3HD1 LEU 49 -13.073 6.145 -10.642 389 HD21 LEU 49 3HD2 LEU 49 -16.063 8.017 -9.565 390 HD22 LEU 49 1HD2 LEU 49 -15.400 6.416 -9.931 391 HD23 LEU 49 2HD2 LEU 49 -14.868 7.292 -8.473 392 H GLY 50 H GLY 50 -13.053 12.575 -9.930 393 HA2 GLY 50 2HA GLY 50 -12.061 13.872 -8.262 394 HA3 GLY 50 3HA GLY 50 -13.347 13.433 -7.133 395 H MET 51 H MET 51 -11.739 12.965 -5.551 396 HA MET 51 HA MET 51 -9.573 11.211 -5.900 397 HB2 MET 51 2HB MET 51 -10.665 11.938 -3.189 398 HB3 MET 51 3HB MET 51 -9.001 11.683 -3.704 399 HG2 MET 51 2HG MET 51 -9.482 13.835 -5.210 400 HG3 MET 51 3HG MET 51 -10.799 14.083 -4.067 401 HE1 MET 51 3HE MET 51 -7.179 14.698 -4.934 402 HE2 MET 51 1HE MET 51 -6.282 14.420 -3.425 403 HE3 MET 51 2HE MET 51 -7.114 13.068 -4.243 404 H ILE 52 H ILE 52 -9.316 9.080 -5.533 405 HA ILE 52 HA ILE 52 -11.390 7.629 -3.971 406 HB ILE 52 HB ILE 52 -10.978 5.645 -5.447 407 HG12 ILE 52 2HG1 ILE 52 -9.986 7.558 -7.586 408 HG13 ILE 52 3HG1 ILE 52 -8.842 6.754 -6.513 409 HG21 ILE 52 1HG2 ILE 52 -12.611 6.287 -7.090 410 HG22 ILE 52 2HG2 ILE 52 -12.994 7.025 -5.527 411 HG23 ILE 52 3HG2 ILE 52 -12.266 8.017 -6.823 412 HD11 ILE 52 3HD1 ILE 52 -9.715 4.550 -7.139 413 HD12 ILE 52 1HD1 ILE 52 -10.831 5.320 -8.300 414 HD13 ILE 52 2HD1 ILE 52 -9.076 5.462 -8.516 415 H ASP 53 H ASP 53 -10.680 5.653 -3.090 416 HA ASP 53 HA ASP 53 -7.851 5.660 -2.161 417 HB2 ASP 53 2HB ASP 53 -10.269 4.027 -1.288 418 HB3 ASP 53 3HB ASP 53 -8.638 3.835 -0.650 419 H ARG 54 H ARG 54 -6.940 5.114 -4.191 420 HA ARG 54 HA ARG 54 -7.864 2.800 -5.746 421 HB2 ARG 54 2HB ARG 54 -6.809 5.134 -6.472 422 HB3 ARG 54 3HB ARG 54 -5.269 4.270 -6.264 423 HG2 ARG 54 2HG ARG 54 -5.765 2.730 -7.932 424 HG3 ARG 54 3HG ARG 54 -7.500 3.138 -7.938 425 HD2 ARG 54 2HD ARG 54 -7.269 4.678 -9.481 426 HD3 ARG 54 3HD ARG 54 -6.011 5.513 -8.596 427 HE ARG 54 HE ARG 54 -4.387 3.850 -9.603 428 HH11 ARG 54 1HH2 ARG 54 -7.350 4.657 -11.487 429 HH12 ARG 54 2HH2 ARG 54 -6.508 4.157 -12.950 430 HH21 ARG 54 1HH1 ARG 54 -3.608 3.223 -11.673 431 HH22 ARG 54 2HH1 ARG 54 -4.687 3.464 -13.045 432 H TRP 55 H TRP 55 -7.226 0.726 -5.432 433 HA TRP 55 HA TRP 55 -5.205 0.170 -3.392 434 HB2 TRP 55 2HB TRP 55 -7.162 -1.647 -4.816 435 HB3 TRP 55 3HB TRP 55 -6.054 -2.158 -3.553 436 HD1 TRP 55 HD1 TRP 55 -9.346 -0.399 -4.058 437 HE1 TRP 55 HE1 TRP 55 -10.456 0.104 -1.806 438 HE3 TRP 55 HE3 TRP 55 -5.476 -1.657 -0.929 439 HZ2 TRP 55 HZ2 TRP 55 -9.737 0.073 0.984 440 HZ3 TRP 55 HZ3 TRP 55 -5.683 -1.282 1.517 441 HH2 TRP 55 HH2 TRP 55 -7.807 -0.442 2.486 442 H TYR 56 H TYR 56 -3.566 -1.330 -3.514 443 HA TYR 56 HA TYR 56 -2.423 -2.267 -6.071 444 HB2 TYR 56 2HB TYR 56 -1.048 -0.473 -4.019 445 HB3 TYR 56 3HB TYR 56 -0.245 -1.258 -5.372 446 HD1 TYR 56 HD1 TYR 56 -0.660 -0.560 -7.679 447 HD2 TYR 56 HD2 TYR 56 -2.445 1.537 -4.377 448 HE1 TYR 56 HE1 TYR 56 -1.227 1.349 -9.196 449 HE2 TYR 56 HE2 TYR 56 -3.092 3.396 -5.907 450 HH TYR 56 HH TYR 56 -2.153 3.394 -9.366 451 H HIS 57 H HIS 57 -0.857 -3.904 -5.817 452 HA HIS 57 HA HIS 57 -0.934 -5.635 -3.458 453 HB2 HIS 57 2HB HIS 57 0.806 -5.640 -5.932 454 HB3 HIS 57 3HB HIS 57 1.013 -6.806 -4.663 455 HD2 HIS 57 HD2 HIS 57 -1.424 -8.227 -4.007 456 HE1 HIS 57 HE1 HIS 57 -2.654 -8.295 -8.073 457 HE2 HIS 57 HE2 HIS 57 -2.976 -9.368 -5.818 458 HA PRO 58 HA PRO 58 2.689 -4.036 -1.232 459 HB2 PRO 58 2HB PRO 58 3.923 -6.339 -0.365 460 HB3 PRO 58 3HB PRO 58 2.447 -5.637 0.363 461 HG2 PRO 58 2HG PRO 58 2.629 -7.842 -1.713 462 HG3 PRO 58 3HG PRO 58 1.668 -7.821 -0.197 463 HD2 PRO 58 2HD PRO 58 0.507 -7.216 -2.535 464 HD3 PRO 58 3HD PRO 58 0.137 -6.236 -1.091 465 H GLY 59 H GLY 59 3.186 -6.251 -3.922 466 HA2 GLY 59 2HA GLY 59 6.006 -5.422 -4.302 467 HA3 GLY 59 3HA GLY 59 5.034 -6.425 -5.380 468 H CYS 60 HN CYS 60 2.841 -4.873 -5.978 469 HA CYS 60 HA CYS 60 3.940 -3.259 -7.953 470 HB2 CYS 60 2HB CYS 60 1.055 -3.349 -7.031 471 HB3 CYS 60 3HB CYS 60 1.628 -2.824 -8.620 472 H PHE 61 H PHE 61 2.407 -2.220 -4.867 473 HA PHE 61 HA PHE 61 2.317 0.539 -5.578 474 HB2 PHE 61 2HB PHE 61 1.522 0.901 -3.538 475 HB3 PHE 61 3HB PHE 61 1.374 -0.846 -3.480 476 HD1 PHE 61 HD1 PHE 61 3.262 -2.180 -2.425 477 HD2 PHE 61 HD2 PHE 61 3.011 2.088 -2.101 478 HE1 PHE 61 HE1 PHE 61 4.669 -2.270 -0.362 479 HE2 PHE 61 HE2 PHE 61 4.400 2.019 -0.020 480 HZ PHE 61 HZ PHE 61 5.221 -0.163 0.850 481 H VAL 62 H VAL 62 5.013 -1.407 -4.331 482 HA VAL 62 HA VAL 62 6.894 0.799 -4.160 483 HB VAL 62 HB VAL 62 7.522 -2.143 -4.555 484 HG11 VAL 62 1HG1 VAL 62 9.199 0.170 -3.485 485 HG12 VAL 62 2HG1 VAL 62 9.672 -1.542 -3.482 486 HG13 VAL 62 3HG1 VAL 62 9.463 -0.701 -5.012 487 HG21 VAL 62 3HG2 VAL 62 6.195 -1.933 -2.554 488 HG22 VAL 62 1HG2 VAL 62 7.868 -2.098 -2.054 489 HG23 VAL 62 2HG2 VAL 62 7.095 -0.499 -2.023 490 H LYS 63 H LYS 63 6.037 -1.475 -6.759 491 HA LYS 63 HA LYS 63 8.007 -0.647 -8.660 492 HB2 LYS 63 2HB LYS 63 6.805 -2.770 -8.700 493 HB3 LYS 63 3HB LYS 63 5.280 -1.918 -8.898 494 HG2 LYS 63 2HG LYS 63 5.868 -1.239 -11.172 495 HG3 LYS 63 3HG LYS 63 7.472 -1.978 -10.987 496 HD2 LYS 63 2HD LYS 63 6.015 -3.516 -12.214 497 HD3 LYS 63 3HD LYS 63 6.419 -4.188 -10.636 498 HE2 LYS 63 2HE LYS 63 4.080 -2.920 -9.998 499 HE3 LYS 63 3HE LYS 63 3.772 -3.198 -11.699 500 HZ1 LYS 63 3HZ LYS 63 3.963 -5.546 -11.334 501 HZ2 LYS 63 1HZ LYS 63 4.633 -5.361 -9.851 502 HZ3 LYS 63 2HZ LYS 63 3.075 -4.998 -10.051 503 H ASN 64 H ASN 64 4.781 0.697 -7.982 504 HA ASN 64 HA ASN 64 5.349 2.940 -9.864 505 HB2 ASN 64 2HB ASN 64 2.757 3.307 -9.511 506 HB3 ASN 64 3HB ASN 64 3.462 2.359 -10.800 507 HD21 ASN 64 1HD2 ASN 64 1.867 2.053 -7.581 508 HD22 ASN 64 2HD2 ASN 64 1.199 0.480 -8.020 509 H ARG 65 H ARG 65 6.235 2.505 -6.904 510 HA ARG 65 HA ARG 65 5.088 4.359 -5.257 511 HB2 ARG 65 2HB ARG 65 7.194 4.439 -4.082 512 HB3 ARG 65 3HB ARG 65 7.037 2.840 -4.766 513 HG2 ARG 65 2HG ARG 65 8.476 3.656 -6.734 514 HG3 ARG 65 3HG ARG 65 8.758 5.138 -5.802 515 HD2 ARG 65 2HD ARG 65 9.819 3.932 -4.040 516 HD3 ARG 65 3HD ARG 65 9.418 2.363 -4.761 517 HE ARG 65 HE ARG 65 11.608 4.151 -5.472 518 HH11 ARG 65 1HH2 ARG 65 9.621 1.562 -6.805 519 HH12 ARG 65 2HH2 ARG 65 10.864 1.111 -7.945 520 HH21 ARG 65 1HH1 ARG 65 13.106 3.515 -6.970 521 HH22 ARG 65 2HH1 ARG 65 12.762 2.192 -8.042 522 H GLU 66 H GLU 66 7.219 5.103 -7.939 523 HA GLU 66 HA GLU 66 7.471 7.918 -7.282 524 HB2 GLU 66 2HB GLU 66 8.753 8.033 -9.383 525 HB3 GLU 66 3HB GLU 66 9.326 6.794 -8.257 526 HG2 GLU 66 2HG GLU 66 8.281 5.022 -9.568 527 HG3 GLU 66 3HG GLU 66 7.544 6.202 -10.658 528 H GLU 67 H GLU 67 5.223 6.032 -9.159 529 HA GLU 67 HA GLU 67 3.932 8.358 -10.400 530 HB2 GLU 67 2HB GLU 67 3.942 6.127 -11.482 531 HB3 GLU 67 3HB GLU 67 2.955 5.500 -10.156 532 HG2 GLU 67 2HG GLU 67 1.136 7.035 -10.721 533 HG3 GLU 67 3HG GLU 67 2.140 7.829 -11.938 534 H LEU 68 H LEU 68 3.483 6.186 -7.583 535 HA LEU 68 HA LEU 68 1.232 7.632 -6.465 536 HB2 LEU 68 2HB LEU 68 3.244 5.757 -5.175 537 HB3 LEU 68 3HB LEU 68 1.743 6.291 -4.432 538 HG LEU 68 HG LEU 68 1.965 4.564 -6.939 539 HD11 LEU 68 1HD1 LEU 68 1.064 2.788 -5.493 540 HD12 LEU 68 2HD1 LEU 68 2.616 3.392 -4.879 541 HD13 LEU 68 3HD1 LEU 68 1.100 3.888 -4.102 542 HD21 LEU 68 3HD2 LEU 68 -0.106 5.954 -6.953 543 HD22 LEU 68 1HD2 LEU 68 -0.401 4.231 -6.790 544 HD23 LEU 68 2HD2 LEU 68 -0.528 5.263 -5.359 545 H GLY 69 H GLY 69 4.626 8.376 -6.483 546 HA2 GLY 69 2HA GLY 69 5.397 10.564 -6.121 547 HA3 GLY 69 3HA GLY 69 3.971 10.941 -5.156 548 H PHE 70 H PHE 70 5.738 8.033 -4.343 549 HA PHE 70 HA PHE 70 6.367 8.873 -1.669 550 HB2 PHE 70 2HB PHE 70 7.128 6.531 -3.408 551 HB3 PHE 70 3HB PHE 70 7.942 6.779 -1.886 552 HD1 PHE 70 HD2 PHE 70 4.561 6.133 -3.361 553 HD2 PHE 70 HD1 PHE 70 6.982 6.240 0.205 554 HE1 PHE 70 HE2 PHE 70 2.826 4.846 -2.142 555 HE2 PHE 70 HE1 PHE 70 5.243 4.970 1.424 556 HZ PHE 70 HZ PHE 70 3.171 4.254 0.246 557 H ARG 71 H ARG 71 8.158 9.531 -0.720 558 HA ARG 71 HA ARG 71 10.777 9.754 -2.086 559 HB2 ARG 71 2HB ARG 71 9.414 11.920 -0.416 560 HB3 ARG 71 3HB ARG 71 11.106 11.958 -0.903 561 HG2 ARG 71 2HG ARG 71 10.490 12.091 -3.266 562 HG3 ARG 71 3HG ARG 71 8.763 11.968 -2.859 563 HD2 ARG 71 2HD ARG 71 8.879 14.009 -1.537 564 HD3 ARG 71 3HD ARG 71 10.610 14.157 -1.843 565 HE ARG 71 HE ARG 71 10.045 14.358 -4.291 566 HH11 ARG 71 1HH2 ARG 71 7.559 15.361 -2.007 567 HH12 ARG 71 2HH2 ARG 71 6.976 16.599 -3.083 568 HH21 ARG 71 1HH1 ARG 71 9.184 15.897 -5.611 569 HH22 ARG 71 2HH1 ARG 71 7.843 16.861 -5.071 570 HA PRO 72 HA PRO 72 12.235 7.842 1.622 571 HB2 PRO 72 2HB PRO 72 14.308 10.015 1.894 572 HB3 PRO 72 3HB PRO 72 14.516 8.241 1.976 573 HG2 PRO 72 2HG PRO 72 15.180 9.574 -0.296 574 HG3 PRO 72 3HG PRO 72 14.273 8.030 -0.409 575 HD2 PRO 72 2HD PRO 72 13.189 10.859 -0.575 576 HD3 PRO 72 3HD PRO 72 12.826 9.446 -1.610 577 H GLU 73 H GLU 73 11.746 11.377 1.890 578 HA GLU 73 HA GLU 73 11.679 11.455 4.754 579 HB2 GLU 73 2HB GLU 73 10.735 13.666 4.491 580 HB3 GLU 73 3HB GLU 73 12.040 13.428 3.330 581 HG2 GLU 73 2HG GLU 73 10.318 12.938 1.558 582 HG3 GLU 73 3HG GLU 73 9.052 13.299 2.731 583 H TYR 74 H TYR 74 9.405 10.075 2.597 584 HA TYR 74 HA TYR 74 7.738 9.405 4.869 585 HB2 TYR 74 2HB TYR 74 5.601 9.922 3.525 586 HB3 TYR 74 3HB TYR 74 6.415 11.170 4.425 587 HD1 TYR 74 HD1 TYR 74 6.986 9.851 0.930 588 HD2 TYR 74 HD2 TYR 74 6.078 13.224 3.449 589 HE1 TYR 74 HE1 TYR 74 6.841 11.326 -1.079 590 HE2 TYR 74 HE2 TYR 74 5.984 14.698 1.440 591 HH TYR 74 HH TYR 74 6.302 13.363 -1.872 592 H SER 75 H SER 75 9.186 7.632 4.277 593 HA SER 75 HA SER 75 8.818 5.753 2.245 594 HB2 SER 75 2HB SER 75 9.938 4.280 3.791 595 HB3 SER 75 3HB SER 75 10.580 5.912 4.030 596 HG SER 75 HG SER 75 10.112 4.957 6.033 597 H ALA 76 H ALA 76 8.159 3.389 2.978 598 HA ALA 76 HA ALA 76 5.361 3.073 3.152 599 HB1 ALA 76 1HB ALA 76 7.579 1.165 4.007 600 HB2 ALA 76 2HB ALA 76 5.894 0.739 3.627 601 HB3 ALA 76 3HB ALA 76 6.952 1.361 2.352 602 H SER 77 H SER 77 7.514 3.895 5.797 603 HA SER 77 HA SER 77 5.922 2.879 7.968 604 HB2 SER 77 2HB SER 77 7.075 4.484 9.351 605 HB3 SER 77 3HB SER 77 8.249 3.783 8.227 606 HG SER 77 HG SER 77 8.258 5.656 7.057 607 H GLN 78 H GLN 78 5.481 5.602 5.793 608 HA GLN 78 HA GLN 78 3.605 6.964 7.519 609 HB2 GLN 78 2HB GLN 78 4.694 7.703 4.782 610 HB3 GLN 78 3HB GLN 78 3.695 8.730 5.800 611 HG2 GLN 78 2HG GLN 78 6.516 7.795 6.408 612 HG3 GLN 78 3HG GLN 78 5.955 9.431 6.053 613 HE21 GLN 78 2HE2 GLN 78 6.674 7.304 8.617 614 HE22 GLN 78 1HE2 GLN 78 5.828 8.257 9.866 615 H LEU 79 H LEU 79 2.843 4.322 6.278 616 HA LEU 79 HA LEU 79 0.395 5.102 4.766 617 HB2 LEU 79 2HB LEU 79 1.632 2.430 5.490 618 HB3 LEU 79 3HB LEU 79 0.094 2.613 4.660 619 HG LEU 79 HG LEU 79 2.582 3.824 3.434 620 HD11 LEU 79 1HD1 LEU 79 3.098 1.802 2.226 621 HD12 LEU 79 2HD1 LEU 79 3.172 1.431 3.953 622 HD13 LEU 79 3HD1 LEU 79 1.778 0.921 3.004 623 HD21 LEU 79 3HD2 LEU 79 0.210 2.426 2.148 624 HD22 LEU 79 1HD2 LEU 79 0.240 4.147 2.534 625 HD23 LEU 79 2HD2 LEU 79 1.401 3.486 1.377 626 H LYS 80 H LYS 80 -1.571 5.205 5.688 627 HA LYS 80 HA LYS 80 -2.058 5.107 8.470 628 HB2 LYS 80 2HB LYS 80 -4.099 4.510 6.273 629 HB3 LYS 80 3HB LYS 80 -4.461 4.928 7.947 630 HG2 LYS 80 2HG LYS 80 -3.269 7.106 7.597 631 HG3 LYS 80 3HG LYS 80 -3.148 6.703 5.870 632 HD2 LYS 80 2HD LYS 80 -5.730 7.025 7.471 633 HD3 LYS 80 3HD LYS 80 -5.022 8.249 6.410 634 HE2 LYS 80 2HE LYS 80 -5.260 6.714 4.469 635 HE3 LYS 80 3HE LYS 80 -5.999 5.498 5.524 636 HZ1 LYS 80 3HZ LYS 80 -7.684 6.810 4.362 637 HZ2 LYS 80 1HZ LYS 80 -7.804 7.071 5.967 638 HZ3 LYS 80 2HZ LYS 80 -7.124 8.201 5.004 639 H GLY 81 H GLY 81 -2.355 3.486 9.909 640 HA2 GLY 81 2HA GLY 81 -2.874 1.403 10.789 641 HA3 GLY 81 3HA GLY 81 -3.520 0.921 9.221 642 H PHE 82 H PHE 82 -0.268 1.911 8.783 643 HA PHE 82 HA PHE 82 0.791 -0.611 8.107 644 HB2 PHE 82 2HB PHE 82 1.872 1.330 7.336 645 HB3 PHE 82 3HB PHE 82 1.923 2.073 8.924 646 HD1 PHE 82 HD2 PHE 82 3.657 -0.282 6.652 647 HD2 PHE 82 HD1 PHE 82 3.637 1.610 10.527 648 HE1 PHE 82 HE2 PHE 82 6.039 -0.893 6.971 649 HE2 PHE 82 HE1 PHE 82 6.018 0.969 10.853 650 HZ PHE 82 HZ PHE 82 7.214 -0.292 9.069 651 H SER 83 H SER 83 1.081 1.188 11.199 652 HA SER 83 HA SER 83 2.635 -0.631 12.635 653 HB2 SER 83 2HB SER 83 0.461 1.226 13.667 654 HB3 SER 83 3HB SER 83 1.799 0.546 14.622 655 HG SER 83 HG SER 83 2.271 2.666 13.879 656 H LEU 84 H LEU 84 -0.730 -0.996 11.798 657 HA LEU 84 HA LEU 84 -1.366 -2.837 14.011 658 HB2 LEU 84 2HB LEU 84 -3.038 -2.008 11.612 659 HB3 LEU 84 3HB LEU 84 -3.603 -2.848 13.048 660 HG LEU 84 HG LEU 84 -2.565 0.022 12.963 661 HD11 LEU 84 1HD1 LEU 84 -4.892 0.627 13.419 662 HD12 LEU 84 2HD1 LEU 84 -4.772 -0.292 11.909 663 HD13 LEU 84 3HD1 LEU 84 -5.368 -1.086 13.382 664 HD21 LEU 84 3HD2 LEU 84 -3.741 -1.580 15.277 665 HD22 LEU 84 1HD2 LEU 84 -2.072 -0.976 15.156 666 HD23 LEU 84 2HD2 LEU 84 -3.413 0.168 15.292 667 H LEU 85 H LEU 85 0.122 -3.163 10.971 668 HA LEU 85 HA LEU 85 -0.778 -5.881 10.332 669 HB2 LEU 85 2HB LEU 85 1.752 -4.409 9.531 670 HB3 LEU 85 3HB LEU 85 1.118 -5.855 8.770 671 HG LEU 85 HG LEU 85 -0.297 -3.147 8.725 672 HD11 LEU 85 1HD1 LEU 85 0.486 -3.018 6.398 673 HD12 LEU 85 2HD1 LEU 85 1.852 -3.079 7.522 674 HD13 LEU 85 3HD1 LEU 85 1.394 -4.531 6.604 675 HD21 LEU 85 3HD2 LEU 85 -1.837 -5.047 8.401 676 HD22 LEU 85 1HD2 LEU 85 -1.623 -4.092 6.923 677 HD23 LEU 85 2HD2 LEU 85 -0.786 -5.645 7.095 678 H ALA 86 H ALA 86 0.825 -7.742 10.362 679 HA ALA 86 HA ALA 86 2.148 -8.136 12.890 680 HB1 ALA 86 1HB ALA 86 2.339 -9.575 10.213 681 HB2 ALA 86 2HB ALA 86 3.110 -10.140 11.716 682 HB3 ALA 86 3HB ALA 86 1.346 -10.028 11.617 683 H THR 87 H THR 87 4.328 -8.050 13.431 684 HA THR 87 HA THR 87 5.819 -5.888 12.493 685 HB THR 87 HB THR 87 6.901 -8.346 13.886 686 HG1 THR 87 1HG THR 87 6.291 -7.244 15.767 687 HG21 THR 87 1HG2 THR 87 8.699 -6.772 13.256 688 HG22 THR 87 2HG2 THR 87 7.784 -5.416 13.951 689 HG23 THR 87 3HG2 THR 87 8.427 -6.701 15.000 690 H GLU 88 H GLU 88 6.094 -9.302 11.454 691 HA GLU 88 HA GLU 88 8.439 -8.953 9.848 692 HB2 GLU 88 2HB GLU 88 7.855 -11.057 8.824 693 HB3 GLU 88 3HB GLU 88 7.637 -11.135 10.571 694 HG2 GLU 88 2HG GLU 88 5.159 -10.800 10.234 695 HG3 GLU 88 3HG GLU 88 5.427 -10.853 8.489 696 H ASP 89 H ASP 89 5.050 -8.146 9.166 697 HA ASP 89 HA ASP 89 5.606 -7.629 6.308 698 HB2 ASP 89 2HB ASP 89 3.147 -7.211 8.035 699 HB3 ASP 89 3HB ASP 89 3.271 -6.677 6.364 700 H LYS 90 H LYS 90 5.192 -5.726 9.314 701 HA LYS 90 HA LYS 90 5.527 -3.114 8.146 702 HB2 LYS 90 2HB LYS 90 6.118 -4.271 10.892 703 HB3 LYS 90 3HB LYS 90 6.467 -2.585 10.514 704 HG2 LYS 90 2HG LYS 90 4.294 -1.949 10.498 705 HG3 LYS 90 3HG LYS 90 3.758 -3.403 9.673 706 HD2 LYS 90 2HD LYS 90 2.711 -3.348 11.808 707 HD3 LYS 90 3HD LYS 90 3.868 -4.671 11.790 708 HE2 LYS 90 2HE LYS 90 5.464 -3.325 13.103 709 HE3 LYS 90 3HE LYS 90 4.356 -1.944 13.042 710 HZ1 LYS 90 3HZ LYS 90 4.119 -3.198 15.126 711 HZ2 LYS 90 1HZ LYS 90 2.723 -3.247 14.270 712 HZ3 LYS 90 2HZ LYS 90 3.708 -4.555 14.312 713 H GLU 91 H GLU 91 7.977 -5.456 9.282 714 HA GLU 91 HA GLU 91 10.237 -3.822 8.493 715 HB2 GLU 91 2HB GLU 91 9.937 -6.817 8.921 716 HB3 GLU 91 3HB GLU 91 11.469 -6.030 8.547 717 HG2 GLU 91 2HG GLU 91 9.757 -5.406 10.993 718 HG3 GLU 91 3HG GLU 91 11.142 -6.487 10.975 719 H ALA 92 H ALA 92 8.518 -6.510 6.758 720 HA ALA 92 HA ALA 92 10.196 -6.434 4.491 721 HB1 ALA 92 1HB ALA 92 7.302 -7.312 4.723 722 HB2 ALA 92 2HB ALA 92 8.423 -7.734 3.408 723 HB3 ALA 92 3HB ALA 92 8.747 -8.304 5.055 724 H LEU 93 H LEU 93 7.290 -4.451 5.138 725 HA LEU 93 HA LEU 93 7.110 -3.308 2.488 726 HB2 LEU 93 2HB LEU 93 6.178 -2.422 5.239 727 HB3 LEU 93 3HB LEU 93 5.851 -1.483 3.787 728 HG LEU 93 HG LEU 93 4.932 -4.367 4.121 729 HD11 LEU 93 1HD1 LEU 93 3.903 -2.897 5.816 730 HD12 LEU 93 2HD1 LEU 93 3.415 -1.755 4.541 731 HD13 LEU 93 3HD1 LEU 93 2.722 -3.390 4.596 732 HD21 LEU 93 3HD2 LEU 93 3.386 -3.801 2.293 733 HD22 LEU 93 1HD2 LEU 93 4.115 -2.186 2.163 734 HD23 LEU 93 2HD2 LEU 93 5.066 -3.638 1.772 735 H LYS 94 H LYS 94 8.817 -2.190 5.467 736 HA LYS 94 HA LYS 94 10.031 0.122 4.208 737 HB2 LYS 94 2HB LYS 94 10.824 -1.531 6.632 738 HB3 LYS 94 3HB LYS 94 11.612 -0.024 6.156 739 HG2 LYS 94 2HG LYS 94 9.498 1.220 6.426 740 HG3 LYS 94 3HG LYS 94 8.665 -0.257 6.914 741 HD2 LYS 94 2HD LYS 94 10.999 1.048 8.387 742 HD3 LYS 94 3HD LYS 94 9.295 1.123 8.865 743 HE2 LYS 94 2HE LYS 94 9.258 -1.359 9.116 744 HE3 LYS 94 3HE LYS 94 10.955 -1.431 8.643 745 HZ1 LYS 94 3HZ LYS 94 9.920 -0.150 11.104 746 HZ2 LYS 94 1HZ LYS 94 10.802 -1.537 10.977 747 HZ3 LYS 94 2HZ LYS 94 11.489 -0.098 10.620 748 H LYS 95 H LYS 95 11.093 -3.278 4.604 749 HA LYS 95 HA LYS 95 13.709 -2.931 3.578 750 HB2 LYS 95 2HB LYS 95 11.828 -5.303 3.601 751 HB3 LYS 95 3HB LYS 95 13.401 -5.446 2.858 752 HG2 LYS 95 2HG LYS 95 13.019 -4.538 5.742 753 HG3 LYS 95 3HG LYS 95 13.231 -6.220 5.275 754 HD2 LYS 95 2HD LYS 95 15.260 -3.992 4.790 755 HD3 LYS 95 3HD LYS 95 15.304 -5.173 6.101 756 HE2 LYS 95 2HE LYS 95 15.422 -7.022 4.425 757 HE3 LYS 95 3HE LYS 95 15.460 -5.825 3.125 758 HZ1 LYS 95 3HZ LYS 95 17.697 -6.545 3.720 759 HZ2 LYS 95 1HZ LYS 95 17.536 -4.960 4.069 760 HZ3 LYS 95 2HZ LYS 95 17.504 -6.070 5.269 761 H GLN 96 H GLN 96 10.742 -2.974 1.811 762 HA GLN 96 HA GLN 96 12.130 -3.113 -0.825 763 HB2 GLN 96 2HB GLN 96 9.196 -3.217 -0.041 764 HB3 GLN 96 3HB GLN 96 9.802 -3.247 -1.706 765 HG2 GLN 96 2HG GLN 96 10.929 -5.346 -1.383 766 HG3 GLN 96 3HG GLN 96 10.632 -5.328 0.356 767 HE21 GLN 96 2HE2 GLN 96 8.407 -5.539 1.131 768 HE22 GLN 96 1HE2 GLN 96 7.226 -6.376 0.111 769 H LEU 97 H LEU 97 10.225 -0.877 1.217 770 HA LEU 97 HA LEU 97 11.139 1.377 -0.494 771 HB2 LEU 97 2HB LEU 97 8.923 0.726 -1.169 772 HB3 LEU 97 3HB LEU 97 8.308 0.847 0.470 773 HG LEU 97 HG LEU 97 8.348 3.222 0.440 774 HD11 LEU 97 1HD1 LEU 97 9.354 4.533 -1.461 775 HD12 LEU 97 2HD1 LEU 97 10.544 3.738 -0.430 776 HD13 LEU 97 3HD1 LEU 97 10.142 3.030 -2.009 777 HD21 LEU 97 3HD2 LEU 97 6.612 2.184 -0.969 778 HD22 LEU 97 1HD2 LEU 97 7.088 3.763 -1.603 779 HD23 LEU 97 2HD2 LEU 97 7.680 2.286 -2.382 780 HA PRO 98 HA PRO 98 11.942 2.195 3.962 781 HB2 PRO 98 2HB PRO 98 14.683 2.379 3.939 782 HB3 PRO 98 3HB PRO 98 13.798 0.843 4.045 783 HG2 PRO 98 2HG PRO 98 15.188 2.057 1.678 784 HG3 PRO 98 3HG PRO 98 14.939 0.328 2.089 785 HD2 PRO 98 2HD PRO 98 13.433 1.871 0.241 786 HD3 PRO 98 3HD PRO 98 13.042 0.253 0.879 787 H GLY 99 H GLY 99 12.646 4.215 5.043 788 HA2 GLY 99 2HA GLY 99 14.286 6.154 3.688 789 HA3 GLY 99 3HA GLY 99 12.611 6.680 3.757 790 H VAL 100 H VAL 100 13.245 8.397 5.016 791 HA VAL 100 HA VAL 100 13.818 9.731 6.696 792 HB VAL 100 HB VAL 100 12.481 7.575 8.308 793 HG11 VAL 100 1HG1 VAL 100 12.822 10.554 8.874 794 HG12 VAL 100 2HG1 VAL 100 11.786 9.446 9.800 795 HG13 VAL 100 3HG1 VAL 100 13.529 9.213 9.812 796 HG21 VAL 100 3HG2 VAL 100 11.355 9.975 6.802 797 HG22 VAL 100 1HG2 VAL 100 11.072 8.267 6.421 798 HG23 VAL 100 2HG2 VAL 100 10.421 8.946 7.914 799 H LYS 101 H LYS 101 15.638 10.347 7.488 800 HA LYS 101 HA LYS 101 17.663 8.496 8.574 801 HB2 LYS 101 2HB LYS 101 17.636 11.440 7.904 802 HB3 LYS 101 3HB LYS 101 18.906 10.771 8.937 803 HG2 LYS 101 2HG LYS 101 19.567 9.149 7.294 804 HG3 LYS 101 3HG LYS 101 18.272 9.637 6.189 805 HD2 LYS 101 2HD LYS 101 20.540 11.463 7.118 806 HD3 LYS 101 3HD LYS 101 20.556 10.530 5.618 807 HE2 LYS 101 2HE LYS 101 18.486 11.706 4.864 808 HE3 LYS 101 3HE LYS 101 18.522 12.686 6.336 809 HZ1 LYS 101 3HZ LYS 101 19.553 13.871 4.508 810 HZ2 LYS 101 1HZ LYS 101 20.708 13.539 5.611 811 HZ3 LYS 101 2HZ LYS 101 20.620 12.677 4.215 812 H SER 102 H SER 102 15.895 7.840 10.108 813 HA SER 102 HA SER 102 15.607 9.206 12.622 814 HB2 SER 102 2HB SER 102 15.576 6.245 11.949 815 HB3 SER 102 3HB SER 102 15.007 6.960 13.474 816 HG SER 102 HG SER 102 13.392 6.520 11.765 817 H GLU 103 H GLU 103 18.228 7.354 11.223 818 HA GLU 103 HA GLU 103 19.909 7.857 13.644 819 HB2 GLU 103 2HB GLU 103 20.424 5.724 11.536 820 HB3 GLU 103 3HB GLU 103 21.325 6.035 13.007 821 HG2 GLU 103 2HG GLU 103 20.078 4.112 13.469 822 HG3 GLU 103 3HG GLU 103 19.271 5.411 14.343 823 H GLY 104 H GLY 104 21.788 9.007 13.324 824 HA2 GLY 104 2HA GLY 104 22.320 10.355 10.796 825 HA3 GLY 104 3HA GLY 104 23.288 10.424 12.271 826 H LYS 105 H LYS 105 22.858 7.205 11.533 827 HA LYS 105 HA LYS 105 25.675 6.897 10.711 828 HB2 LYS 105 2HB LYS 105 23.557 4.869 11.553 829 HB3 LYS 105 3HB LYS 105 25.255 4.501 11.230 830 HG2 LYS 105 2HG LYS 105 25.945 6.037 13.061 831 HG3 LYS 105 3HG LYS 105 24.238 6.350 13.433 832 HD2 LYS 105 2HD LYS 105 23.889 3.940 13.903 833 HD3 LYS 105 3HD LYS 105 25.598 3.621 13.532 834 HE2 LYS 105 2HE LYS 105 26.276 5.163 15.364 835 HE3 LYS 105 3HE LYS 105 24.575 5.465 15.740 836 HZ1 LYS 105 3HZ LYS 105 25.915 2.818 15.926 837 HZ2 LYS 105 1HZ LYS 105 25.512 3.761 17.193 838 HZ3 LYS 105 2HZ LYS 105 24.342 3.095 16.274 839 H ARG 106 H ARG 106 22.744 7.040 9.052 840 HA ARG 106 HA ARG 106 23.257 5.025 7.015 841 HB2 ARG 106 2HB ARG 106 21.255 7.320 7.016 842 HB3 ARG 106 3HB ARG 106 21.252 5.919 5.941 843 HG2 ARG 106 2HG ARG 106 20.964 4.434 7.987 844 HG3 ARG 106 3HG ARG 106 20.742 5.916 8.946 845 HD2 ARG 106 2HD ARG 106 18.896 6.578 7.355 846 HD3 ARG 106 3HD ARG 106 19.075 4.995 6.574 847 HE ARG 106 HE ARG 106 18.600 4.820 9.473 848 HH11 ARG 106 1HH2 ARG 106 16.939 5.099 6.405 849 HH12 ARG 106 2HH2 ARG 106 15.383 4.908 7.161 850 HH21 ARG 106 1HH1 ARG 106 16.745 4.311 10.280 851 HH22 ARG 106 2HH1 ARG 106 15.277 4.206 9.292 852 H LYS 107 H LYS 107 24.599 8.068 7.417 853 HA LYS 107 HA LYS 107 24.533 9.215 4.823 854 HB2 LYS 107 2HB LYS 107 26.586 9.552 7.042 855 HB3 LYS 107 3HB LYS 107 26.438 10.593 5.622 856 HG2 LYS 107 2HG LYS 107 24.176 11.286 6.304 857 HG3 LYS 107 3HG LYS 107 24.244 10.212 7.714 858 HD2 LYS 107 2HD LYS 107 26.219 11.468 8.569 859 HD3 LYS 107 3HD LYS 107 26.104 12.571 7.180 860 HE2 LYS 107 2HE LYS 107 23.808 13.213 7.894 861 HE3 LYS 107 3HE LYS 107 23.929 12.109 9.273 862 HZ1 LYS 107 3HZ LYS 107 25.682 14.469 8.825 863 HZ2 LYS 107 1HZ LYS 107 24.471 14.391 9.914 864 HZ3 LYS 107 2HZ LYS 107 25.791 13.451 10.098 865 H GLY 108 H GLY 108 26.194 9.630 3.359 866 HA2 GLY 108 2HA GLY 108 28.699 8.563 3.027 867 HA3 GLY 108 3HA GLY 108 27.644 7.280 2.418 868 H ASP 109 H ASP 109 26.537 7.571 0.550 869 HA ASP 109 HA ASP 109 26.746 10.126 -0.977 870 HB2 ASP 109 2HB ASP 109 27.610 9.067 -2.906 871 HB3 ASP 109 3HB ASP 109 28.638 8.584 -1.570 872 H GLU 110 H GLU 110 24.662 7.596 -0.036 873 HA GLU 110 HA GLU 110 22.876 8.031 -2.350 874 HB2 GLU 110 2HB GLU 110 22.682 6.106 -0.001 875 HB3 GLU 110 3HB GLU 110 21.543 6.187 -1.351 876 HG2 GLU 110 2HG GLU 110 23.420 5.693 -2.936 877 HG3 GLU 110 3HG GLU 110 24.496 5.471 -1.553 878 H VAL 111 H VAL 111 23.170 9.220 0.841 879 HA VAL 111 HA VAL 111 20.465 10.480 0.744 880 HB VAL 111 HB VAL 111 20.158 10.122 3.137 881 HG11 VAL 111 1HG1 VAL 111 20.653 7.474 1.736 882 HG12 VAL 111 2HG1 VAL 111 19.576 7.786 3.110 883 HG13 VAL 111 3HG1 VAL 111 19.214 8.497 1.528 884 HG21 VAL 111 3HG2 VAL 111 22.517 9.915 3.862 885 HG22 VAL 111 1HG2 VAL 111 21.545 8.538 4.401 886 HG23 VAL 111 2HG2 VAL 111 22.642 8.352 3.021 887 H ASP 112 H ASP 112 23.271 11.408 0.190 888 HA ASP 112 HA ASP 112 23.609 13.610 2.175 889 HB2 ASP 112 2HB ASP 112 25.527 12.128 1.897 890 HB3 ASP 112 3HB ASP 112 25.537 12.413 0.159 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 8.787 5.798 22.882 2 H2 GLY 1 H2 GLY 1 8.421 6.786 21.627 3 H3 GLY 1 H3 GLY 1 9.601 7.206 22.679 4 HA2 GLY 1 2HA GLY 1 10.974 5.355 21.987 5 HA3 GLY 1 3HA GLY 1 9.692 4.890 20.853 6 H SER 2 H SER 2 12.200 5.282 19.876 7 HA SER 2 HA SER 2 12.720 7.990 18.987 8 HB2 SER 2 2HB SER 2 14.504 6.374 19.312 9 HB3 SER 2 3HB SER 2 13.825 5.315 18.062 10 HG SER 2 HG SER 2 15.587 6.704 17.375 11 H LYS 3 H LYS 3 11.132 5.200 17.414 12 HA LYS 3 HA LYS 3 11.046 6.458 14.785 13 HB2 LYS 3 2HB LYS 3 9.938 3.891 15.946 14 HB3 LYS 3 3HB LYS 3 9.383 4.476 14.386 15 HG2 LYS 3 2HG LYS 3 11.130 2.883 14.035 16 HG3 LYS 3 3HG LYS 3 11.655 4.474 13.483 17 HD2 LYS 3 2HD LYS 3 13.081 4.740 15.465 18 HD3 LYS 3 3HD LYS 3 12.458 3.217 16.147 19 HE2 LYS 3 2HE LYS 3 13.366 1.988 14.183 20 HE3 LYS 3 3HE LYS 3 13.984 3.505 13.516 21 HZ1 LYS 3 3HZ LYS 3 15.421 3.705 15.480 22 HZ2 LYS 3 1HZ LYS 3 14.845 2.302 16.098 23 HZ3 LYS 3 2HZ LYS 3 15.712 2.292 14.719 24 H ALA 4 H ALA 4 9.339 7.243 13.644 25 HA ALA 4 HA ALA 4 7.292 8.652 15.197 26 HB1 ALA 4 1HB ALA 4 7.913 8.658 12.215 27 HB2 ALA 4 2HB ALA 4 6.845 9.790 13.070 28 HB3 ALA 4 3HB ALA 4 8.583 9.788 13.418 29 H GLU 5 H GLU 5 5.053 8.577 14.759 30 HA GLU 5 HA GLU 5 4.003 6.009 13.609 31 HB2 GLU 5 2HB GLU 5 2.937 7.675 15.919 32 HB3 GLU 5 3HB GLU 5 2.176 6.222 15.261 33 HG2 GLU 5 2HG GLU 5 4.197 4.895 15.848 34 HG3 GLU 5 3HG GLU 5 4.917 6.327 16.587 35 H LYS 6 H LYS 6 4.332 8.994 12.571 36 HA LYS 6 HA LYS 6 1.547 9.706 11.915 37 HB2 LYS 6 2HB LYS 6 4.167 11.083 11.193 38 HB3 LYS 6 3HB LYS 6 2.556 11.741 10.941 39 HG2 LYS 6 2HG LYS 6 3.860 11.181 13.641 40 HG3 LYS 6 3HG LYS 6 3.641 12.750 12.870 41 HD2 LYS 6 2HD LYS 6 1.140 12.426 12.988 42 HD3 LYS 6 3HD LYS 6 1.415 10.896 13.829 43 HE2 LYS 6 2HE LYS 6 0.918 12.489 15.507 44 HE3 LYS 6 3HE LYS 6 2.639 12.123 15.634 45 HZ1 LYS 6 3HZ LYS 6 3.095 14.217 14.456 46 HZ2 LYS 6 1HZ LYS 6 1.496 14.532 14.308 47 HZ3 LYS 6 2HZ LYS 6 2.194 14.515 15.780 48 H THR 7 H THR 7 0.752 10.079 9.884 49 HA THR 7 HA THR 7 1.970 8.584 7.588 50 HB THR 7 HB THR 7 -0.860 9.611 7.878 51 HG1 THR 7 1HG THR 7 -0.415 7.977 9.393 52 HG21 THR 7 1HG2 THR 7 -0.212 7.302 6.087 53 HG22 THR 7 2HG2 THR 7 -1.426 8.594 5.923 54 HG23 THR 7 3HG2 THR 7 0.240 8.870 5.500 55 H LEU 8 H LEU 8 2.237 9.731 5.582 56 HA LEU 8 HA LEU 8 2.394 12.632 5.747 57 HB2 LEU 8 2HB LEU 8 3.307 12.663 3.695 58 HB3 LEU 8 3HB LEU 8 3.748 11.050 4.221 59 HG LEU 8 HG LEU 8 1.481 11.787 2.299 60 HD11 LEU 8 1HD1 LEU 8 3.753 12.065 1.367 61 HD12 LEU 8 2HD1 LEU 8 4.120 10.379 1.788 62 HD13 LEU 8 3HD1 LEU 8 2.863 10.747 0.591 63 HD21 LEU 8 3HD2 LEU 8 2.481 9.071 3.226 64 HD22 LEU 8 1HD2 LEU 8 0.868 9.730 3.493 65 HD23 LEU 8 2HD2 LEU 8 1.377 9.336 1.856 66 H GLY 9 H GLY 9 -0.313 10.630 5.244 67 HA2 GLY 9 2HA GLY 9 -2.533 11.340 5.256 68 HA3 GLY 9 3HA GLY 9 -2.056 12.939 4.699 69 H ASP 10 H ASP 10 -0.890 10.163 2.809 70 HA ASP 10 HA ASP 10 -2.984 10.685 0.750 71 HB2 ASP 10 2HB ASP 10 0.025 10.907 0.435 72 HB3 ASP 10 3HB ASP 10 -1.065 10.701 -0.929 73 H PHE 11 H PHE 11 -1.104 8.223 2.341 74 HA PHE 11 HA PHE 11 -2.469 6.262 0.667 75 HB2 PHE 11 2HB PHE 11 -0.245 4.961 0.371 76 HB3 PHE 11 3HB PHE 11 -0.732 6.199 -0.733 77 HD1 PHE 11 HD1 PHE 11 1.387 6.055 2.436 78 HD2 PHE 11 HD2 PHE 11 0.890 7.554 -1.583 79 HE1 PHE 11 HE1 PHE 11 3.689 6.947 2.479 80 HE2 PHE 11 HE2 PHE 11 3.166 8.527 -1.491 81 HZ PHE 11 HZ PHE 11 4.579 8.200 0.532 82 H ALA 12 H ALA 12 -2.434 4.097 1.431 83 HA ALA 12 HA ALA 12 -2.314 3.898 4.402 84 HB1 ALA 12 1HB ALA 12 -4.545 4.688 3.560 85 HB2 ALA 12 2HB ALA 12 -4.666 3.209 2.602 86 HB3 ALA 12 3HB ALA 12 -4.623 3.107 4.372 87 H ALA 13 H ALA 13 -2.454 1.763 5.271 88 HA ALA 13 HA ALA 13 -1.939 -0.516 3.411 89 HB1 ALA 13 1HB ALA 13 -0.421 0.179 5.966 90 HB2 ALA 13 2HB ALA 13 -0.118 -1.211 4.885 91 HB3 ALA 13 3HB ALA 13 0.159 0.449 4.310 92 H GLU 14 H GLU 14 -2.732 -2.532 4.072 93 HA GLU 14 HA GLU 14 -4.147 -2.948 6.592 94 HB2 GLU 14 2HB GLU 14 -5.617 -1.554 4.835 95 HB3 GLU 14 3HB GLU 14 -5.754 -3.111 4.023 96 HG2 GLU 14 2HG GLU 14 -6.699 -4.052 6.190 97 HG3 GLU 14 3HG GLU 14 -6.547 -2.450 6.899 98 H TYR 15 H TYR 15 -5.324 -5.223 6.316 99 HA TYR 15 HA TYR 15 -3.918 -6.982 4.343 100 HB2 TYR 15 2HB TYR 15 -5.518 -7.760 6.793 101 HB3 TYR 15 3HB TYR 15 -4.844 -8.870 5.607 102 HD1 TYR 15 HD2 TYR 15 -4.024 -6.469 8.304 103 HD2 TYR 15 HD1 TYR 15 -2.437 -9.344 5.512 104 HE1 TYR 15 HE2 TYR 15 -1.929 -6.608 9.631 105 HE2 TYR 15 HE1 TYR 15 -0.294 -9.401 6.793 106 HH TYR 15 HH TYR 15 0.854 -8.608 8.564 107 H ALA 16 H ALA 16 -5.113 -8.131 2.872 108 HA ALA 16 HA ALA 16 -7.353 -6.794 1.824 109 HB1 ALA 16 1HB ALA 16 -6.258 -9.551 1.288 110 HB2 ALA 16 2HB ALA 16 -7.354 -8.662 0.199 111 HB3 ALA 16 3HB ALA 16 -5.710 -8.052 0.521 112 H LYS 17 H LYS 17 -9.354 -6.781 2.304 113 HA LYS 17 HA LYS 17 -10.475 -8.689 4.230 114 HB2 LYS 17 2HB LYS 17 -10.354 -6.186 4.479 115 HB3 LYS 17 3HB LYS 17 -11.572 -6.036 3.215 116 HG2 LYS 17 2HG LYS 17 -13.252 -7.069 4.566 117 HG3 LYS 17 3HG LYS 17 -12.072 -7.669 5.743 118 HD2 LYS 17 2HD LYS 17 -12.513 -4.698 5.216 119 HD3 LYS 17 3HD LYS 17 -13.431 -5.600 6.431 120 HE2 LYS 17 2HE LYS 17 -11.471 -6.133 7.702 121 HE3 LYS 17 3HE LYS 17 -10.385 -5.578 6.427 122 HZ1 LYS 17 3HZ LYS 17 -12.209 -3.775 7.918 123 HZ2 LYS 17 1HZ LYS 17 -10.620 -3.957 8.239 124 HZ3 LYS 17 2HZ LYS 17 -11.074 -3.320 6.819 125 H SER 18 H SER 18 -10.786 -8.079 0.847 126 HA SER 18 HA SER 18 -12.385 -10.485 0.597 127 HB2 SER 18 2HB SER 18 -14.115 -9.542 -0.837 128 HB3 SER 18 3HB SER 18 -14.168 -8.776 0.757 129 HG SER 18 HG SER 18 -14.295 -7.156 -0.761 130 H ASN 19 H ASN 19 -12.153 -11.446 -1.469 131 HA ASN 19 HA ASN 19 -9.933 -10.490 -3.135 132 HB2 ASN 19 2HB ASN 19 -10.334 -12.901 -2.490 133 HB3 ASN 19 3HB ASN 19 -11.770 -12.879 -3.525 134 HD21 ASN 19 2HD2 ASN 19 -8.384 -11.609 -4.008 135 HD22 ASN 19 1HD2 ASN 19 -8.012 -12.778 -5.263 136 H ARG 20 H ARG 20 -12.645 -9.072 -2.889 137 HA ARG 20 HA ARG 20 -13.386 -8.771 -5.751 138 HB2 ARG 20 2HB ARG 20 -14.481 -7.489 -3.206 139 HB3 ARG 20 3HB ARG 20 -15.130 -7.234 -4.821 140 HG2 ARG 20 2HG ARG 20 -15.137 -9.851 -3.258 141 HG3 ARG 20 3HG ARG 20 -16.514 -8.804 -3.565 142 HD2 ARG 20 2HD ARG 20 -14.951 -10.366 -5.666 143 HD3 ARG 20 3HD ARG 20 -16.522 -10.803 -5.021 144 HE ARG 20 HE ARG 20 -15.920 -8.723 -7.010 145 HH11 ARG 20 1HH2 ARG 20 -18.420 -9.888 -4.839 146 HH12 ARG 20 2HH2 ARG 20 -19.683 -9.076 -5.723 147 HH21 ARG 20 1HH1 ARG 20 -17.579 -7.717 -8.077 148 HH22 ARG 20 2HH1 ARG 20 -19.212 -7.885 -7.504 149 H SER 21 H SER 21 -11.299 -7.370 -3.402 150 HA SER 21 HA SER 21 -11.005 -4.805 -4.802 151 HB2 SER 21 2HB SER 21 -9.233 -4.306 -3.263 152 HB3 SER 21 3HB SER 21 -10.674 -4.853 -2.406 153 HG SER 21 HG SER 21 -9.613 -6.953 -2.233 154 H THR 22 H THR 22 -9.134 -4.126 -5.957 155 HA THR 22 HA THR 22 -7.566 -6.289 -7.259 156 HB THR 22 HB THR 22 -9.230 -4.241 -8.742 157 HG1 THR 22 1HG THR 22 -10.554 -5.952 -9.295 158 HG21 THR 22 1HG2 THR 22 -8.750 -5.509 -10.761 159 HG22 THR 22 2HG2 THR 22 -7.214 -5.055 -10.018 160 HG23 THR 22 3HG2 THR 22 -7.839 -6.713 -9.838 161 H CYS 23 HN CYS 23 -5.609 -5.705 -7.982 162 HA CYS 23 HA CYS 23 -4.508 -3.244 -6.964 163 HB2 CYS 23 2HB CYS 23 -3.270 -5.253 -6.742 164 HB3 CYS 23 3HB CYS 23 -3.534 -5.671 -8.434 165 H LYS 24 H LYS 24 -4.749 -1.397 -8.037 166 HA LYS 24 HA LYS 24 -5.102 -1.195 -10.944 167 HB2 LYS 24 2HB LYS 24 -4.819 0.741 -8.633 168 HB3 LYS 24 3HB LYS 24 -4.696 1.315 -10.299 169 HG2 LYS 24 2HG LYS 24 -6.960 1.581 -9.627 170 HG3 LYS 24 3HG LYS 24 -6.891 0.326 -10.847 171 HD2 LYS 24 2HD LYS 24 -7.279 -1.403 -9.184 172 HD3 LYS 24 3HD LYS 24 -7.004 -0.260 -7.862 173 HE2 LYS 24 2HE LYS 24 -9.352 -0.648 -7.999 174 HE3 LYS 24 3HE LYS 24 -9.046 1.002 -8.542 175 HZ1 LYS 24 3HZ LYS 24 -9.531 -1.329 -10.333 176 HZ2 LYS 24 1HZ LYS 24 -10.613 -0.163 -9.996 177 HZ3 LYS 24 2HZ LYS 24 -9.273 0.207 -10.847 178 H GLY 25 H GLY 25 -2.389 -1.657 -9.013 179 HA2 GLY 25 2HA GLY 25 -0.375 -0.300 -10.615 180 HA3 GLY 25 3HA GLY 25 -0.107 -1.557 -9.405 181 H CYS 26 HN CYS 26 -1.778 -3.561 -10.736 182 HA CYS 26 HA CYS 26 -0.452 -3.910 -13.367 183 HB2 CYS 26 2HB CYS 26 0.217 -6.160 -12.949 184 HB3 CYS 26 3HB CYS 26 0.907 -5.121 -11.701 185 H MET 27 H MET 27 -3.400 -3.936 -11.843 186 HA MET 27 HA MET 27 -5.460 -4.527 -12.365 187 HB2 MET 27 2HB MET 27 -4.713 -3.518 -14.631 188 HB3 MET 27 3HB MET 27 -4.703 -5.183 -15.205 189 HG2 MET 27 2HG MET 27 -6.851 -4.731 -15.717 190 HG3 MET 27 3HG MET 27 -7.158 -5.151 -14.040 191 HE1 MET 27 3HE MET 27 -7.443 -1.468 -12.450 192 HE2 MET 27 1HE MET 27 -7.391 -3.207 -12.076 193 HE3 MET 27 2HE MET 27 -5.920 -2.361 -12.621 194 H GLU 28 H GLU 28 -4.361 -6.319 -10.884 195 HA GLU 28 HA GLU 28 -5.760 -8.780 -11.753 196 HB2 GLU 28 2HB GLU 28 -2.961 -8.823 -10.547 197 HB3 GLU 28 3HB GLU 28 -4.051 -10.204 -10.656 198 HG2 GLU 28 2HG GLU 28 -4.129 -9.841 -13.173 199 HG3 GLU 28 3HG GLU 28 -2.825 -8.667 -12.972 200 H LYS 29 H LYS 29 -6.600 -10.027 -9.936 201 HA LYS 29 HA LYS 29 -7.583 -8.149 -7.986 202 HB2 LYS 29 2HB LYS 29 -8.053 -11.117 -7.931 203 HB3 LYS 29 3HB LYS 29 -8.936 -9.823 -7.090 204 HG2 LYS 29 2HG LYS 29 -9.470 -8.886 -9.442 205 HG3 LYS 29 3HG LYS 29 -8.971 -10.473 -10.052 206 HD2 LYS 29 2HD LYS 29 -11.168 -9.872 -8.029 207 HD3 LYS 29 3HD LYS 29 -11.414 -10.379 -9.703 208 HE2 LYS 29 2HE LYS 29 -10.579 -12.591 -9.281 209 HE3 LYS 29 3HE LYS 29 -9.882 -12.114 -7.727 210 HZ1 LYS 29 3HZ LYS 29 -11.917 -13.294 -7.360 211 HZ2 LYS 29 1HZ LYS 29 -12.087 -11.748 -6.866 212 HZ3 LYS 29 2HZ LYS 29 -12.787 -12.244 -8.276 213 H ILE 30 H ILE 30 -7.309 -7.988 -5.836 214 HA ILE 30 HA ILE 30 -4.733 -8.926 -4.800 215 HB ILE 30 HB ILE 30 -6.840 -6.978 -3.856 216 HG12 ILE 30 2HG1 ILE 30 -3.878 -6.587 -4.515 217 HG13 ILE 30 3HG1 ILE 30 -5.129 -6.484 -5.740 218 HG21 ILE 30 1HG2 ILE 30 -4.256 -7.647 -2.387 219 HG22 ILE 30 2HG2 ILE 30 -5.469 -6.409 -1.962 220 HG23 ILE 30 3HG2 ILE 30 -5.890 -8.109 -1.842 221 HD11 ILE 30 3HD1 ILE 30 -6.206 -4.624 -4.539 222 HD12 ILE 30 1HD1 ILE 30 -4.896 -4.661 -3.324 223 HD13 ILE 30 2HD1 ILE 30 -4.535 -4.279 -5.013 224 H GLU 31 H GLU 31 -4.405 -10.574 -3.485 225 HA GLU 31 HA GLU 31 -6.540 -12.473 -3.057 226 HB2 GLU 31 2HB GLU 31 -3.617 -12.530 -2.247 227 HB3 GLU 31 3HB GLU 31 -4.734 -13.890 -2.118 228 HG2 GLU 31 2HG GLU 31 -3.915 -12.508 -4.711 229 HG3 GLU 31 3HG GLU 31 -3.249 -14.006 -4.085 230 H LYS 32 H LYS 32 -7.573 -13.057 -1.291 231 HA LYS 32 HA LYS 32 -7.946 -11.341 0.915 232 HB2 LYS 32 2HB LYS 32 -9.572 -13.055 0.097 233 HB3 LYS 32 3HB LYS 32 -8.497 -14.331 0.659 234 HG2 LYS 32 2HG LYS 32 -10.172 -14.188 2.298 235 HG3 LYS 32 3HG LYS 32 -8.782 -13.394 3.021 236 HD2 LYS 32 2HD LYS 32 -9.875 -11.168 2.182 237 HD3 LYS 32 3HD LYS 32 -11.293 -12.159 1.852 238 HE2 LYS 32 2HE LYS 32 -11.634 -11.203 4.009 239 HE3 LYS 32 3HE LYS 32 -11.297 -12.912 4.255 240 HZ1 LYS 32 3HZ LYS 32 -9.071 -12.357 4.953 241 HZ2 LYS 32 1HZ LYS 32 -9.223 -10.783 4.510 242 HZ3 LYS 32 2HZ LYS 32 -10.072 -11.383 5.783 243 H GLY 33 H GLY 33 -7.067 -11.109 2.883 244 HA2 GLY 33 2HA GLY 33 -6.066 -11.651 4.886 245 HA3 GLY 33 3HA GLY 33 -5.731 -13.270 4.281 246 H GLN 34 H GLN 34 -4.217 -11.596 1.960 247 HA GLN 34 HA GLN 34 -1.712 -11.158 3.515 248 HB2 GLN 34 2HB GLN 34 -0.477 -11.254 1.464 249 HB3 GLN 34 3HB GLN 34 -1.400 -12.709 1.765 250 HG2 GLN 34 2HG GLN 34 -1.519 -12.344 -0.564 251 HG3 GLN 34 3HG GLN 34 -3.098 -11.940 0.061 252 HE21 GLN 34 1HE2 GLN 34 -3.874 -9.815 -0.381 253 HE22 GLN 34 2HE2 GLN 34 -2.798 -8.506 -0.900 254 H VAL 35 H VAL 35 -0.371 -9.219 2.739 255 HA VAL 35 HA VAL 35 -1.861 -6.936 3.576 256 HB VAL 35 HB VAL 35 0.932 -7.168 2.425 257 HG11 VAL 35 1HG1 VAL 35 -0.342 -4.779 3.832 258 HG12 VAL 35 2HG1 VAL 35 1.387 -4.972 3.494 259 HG13 VAL 35 3HG1 VAL 35 0.254 -4.818 2.157 260 HG21 VAL 35 3HG2 VAL 35 -0.067 -6.828 5.288 261 HG22 VAL 35 1HG2 VAL 35 0.571 -8.334 4.592 262 HG23 VAL 35 2HG2 VAL 35 1.626 -6.934 4.768 263 H ARG 36 H ARG 36 -2.557 -5.094 2.568 264 HA ARG 36 HA ARG 36 -2.094 -4.730 -0.323 265 HB2 ARG 36 2HB ARG 36 -4.369 -4.167 -0.839 266 HB3 ARG 36 3HB ARG 36 -4.248 -5.827 -0.245 267 HG2 ARG 36 2HG ARG 36 -5.219 -5.234 1.889 268 HG3 ARG 36 3HG ARG 36 -5.151 -3.514 1.509 269 HD2 ARG 36 2HD ARG 36 -6.706 -3.897 -0.420 270 HD3 ARG 36 3HD ARG 36 -6.847 -5.587 0.066 271 HE ARG 36 HE ARG 36 -7.457 -3.673 2.217 272 HH11 ARG 36 1HH2 ARG 36 -9.006 -5.246 -0.552 273 HH12 ARG 36 2HH2 ARG 36 -10.581 -4.928 0.114 274 HH21 ARG 36 1HH1 ARG 36 -9.403 -3.390 2.955 275 HH22 ARG 36 2HH1 ARG 36 -10.826 -3.827 2.016 276 H LEU 37 H LEU 37 -1.927 -2.625 -0.981 277 HA LEU 37 HA LEU 37 -2.045 -0.514 1.124 278 HB2 LEU 37 2HB LEU 37 -0.190 -0.493 -1.274 279 HB3 LEU 37 3HB LEU 37 -0.224 0.579 0.150 280 HG LEU 37 HG LEU 37 1.690 -0.620 0.356 281 HD11 LEU 37 1HD1 LEU 37 1.522 -1.707 2.446 282 HD12 LEU 37 2HD1 LEU 37 0.284 -0.438 2.369 283 HD13 LEU 37 3HD1 LEU 37 -0.180 -2.139 2.186 284 HD21 LEU 37 3HD2 LEU 37 1.186 -2.495 -1.214 285 HD22 LEU 37 1HD2 LEU 37 2.007 -2.976 0.286 286 HD23 LEU 37 2HD2 LEU 37 0.284 -3.308 0.085 287 H SER 38 H SER 38 -2.666 1.631 0.378 288 HA SER 38 HA SER 38 -3.664 1.814 -2.374 289 HB2 SER 38 2HB SER 38 -5.823 2.866 -1.627 290 HB3 SER 38 3HB SER 38 -5.702 1.135 -1.352 291 HG SER 38 HG SER 38 -5.633 1.443 0.757 292 H LYS 39 H LYS 39 -4.184 3.939 -3.104 293 HA LYS 39 HA LYS 39 -2.909 6.171 -1.544 294 HB2 LYS 39 2HB LYS 39 -1.556 5.721 -3.471 295 HB3 LYS 39 3HB LYS 39 -2.966 5.690 -4.544 296 HG2 LYS 39 2HG LYS 39 -3.353 8.067 -4.237 297 HG3 LYS 39 3HG LYS 39 -2.094 8.156 -2.984 298 HD2 LYS 39 2HD LYS 39 -0.378 7.593 -4.654 299 HD3 LYS 39 3HD LYS 39 -1.626 7.411 -5.895 300 HE2 LYS 39 2HE LYS 39 -0.669 9.551 -6.253 301 HE3 LYS 39 3HE LYS 39 -2.262 9.825 -5.546 302 HZ1 LYS 39 3HZ LYS 39 -1.134 10.167 -3.384 303 HZ2 LYS 39 1HZ LYS 39 0.334 9.917 -4.097 304 HZ3 LYS 39 2HZ LYS 39 -0.568 11.219 -4.502 305 H LYS 40 H LYS 40 -4.100 7.967 -1.171 306 HA LYS 40 HA LYS 40 -6.922 8.033 -2.044 307 HB2 LYS 40 2HB LYS 40 -6.604 8.440 0.234 308 HB3 LYS 40 3HB LYS 40 -5.375 9.657 -0.037 309 HG2 LYS 40 2HG LYS 40 -8.234 9.991 -1.107 310 HG3 LYS 40 3HG LYS 40 -7.851 10.329 0.573 311 HD2 LYS 40 2HD LYS 40 -6.849 11.777 -1.876 312 HD3 LYS 40 3HD LYS 40 -7.829 12.403 -0.563 313 HE2 LYS 40 2HE LYS 40 -4.889 11.615 -0.383 314 HE3 LYS 40 3HE LYS 40 -5.495 13.253 -0.553 315 HZ1 LYS 40 3HZ LYS 40 -4.959 12.603 1.772 316 HZ2 LYS 40 1HZ LYS 40 -6.507 13.124 1.602 317 HZ3 LYS 40 2HZ LYS 40 -6.180 11.529 1.767 318 H MET 41 H MET 41 -7.307 8.798 -4.014 319 HA MET 41 HA MET 41 -6.462 11.471 -4.773 320 HB2 MET 41 2HB MET 41 -5.284 10.922 -6.836 321 HB3 MET 41 3HB MET 41 -4.400 10.352 -5.429 322 HG2 MET 41 2HG MET 41 -5.266 8.053 -5.822 323 HG3 MET 41 3HG MET 41 -6.136 8.637 -7.247 324 HE1 MET 41 3HE MET 41 -4.278 6.191 -7.258 325 HE2 MET 41 1HE MET 41 -5.130 6.824 -8.691 326 HE3 MET 41 2HE MET 41 -3.394 6.428 -8.787 327 H VAL 42 H VAL 42 -7.765 12.350 -6.457 328 HA VAL 42 HA VAL 42 -10.125 11.196 -7.304 329 HB VAL 42 HB VAL 42 -8.377 13.073 -8.926 330 HG11 VAL 42 1HG1 VAL 42 -10.535 13.799 -9.947 331 HG12 VAL 42 2HG1 VAL 42 -10.134 12.129 -10.340 332 HG13 VAL 42 3HG1 VAL 42 -11.364 12.475 -9.099 333 HG21 VAL 42 3HG2 VAL 42 -10.603 13.661 -6.921 334 HG22 VAL 42 1HG2 VAL 42 -8.878 14.038 -6.716 335 HG23 VAL 42 2HG2 VAL 42 -9.811 14.861 -7.961 336 H ASP 43 H ASP 43 -10.701 9.566 -8.645 337 HA ASP 43 HA ASP 43 -8.696 7.848 -9.773 338 HB2 ASP 43 2HB ASP 43 -10.894 7.067 -8.926 339 HB3 ASP 43 3HB ASP 43 -11.695 7.888 -10.257 340 HA PRO 44 HA PRO 44 -8.165 10.269 -13.461 341 HB2 PRO 44 2HB PRO 44 -6.426 8.664 -14.877 342 HB3 PRO 44 3HB PRO 44 -5.959 9.553 -13.394 343 HG2 PRO 44 2HG PRO 44 -6.876 6.657 -13.605 344 HG3 PRO 44 3HG PRO 44 -5.411 7.293 -12.782 345 HD2 PRO 44 2HD PRO 44 -7.673 6.777 -11.417 346 HD3 PRO 44 3HD PRO 44 -6.692 8.225 -11.034 347 H GLU 45 H GLU 45 -9.721 7.186 -13.522 348 HA GLU 45 HA GLU 45 -10.598 7.487 -16.369 349 HB2 GLU 45 2HB GLU 45 -10.642 5.122 -14.456 350 HB3 GLU 45 3HB GLU 45 -11.293 5.106 -16.095 351 HG2 GLU 45 2HG GLU 45 -9.128 5.380 -17.084 352 HG3 GLU 45 3HG GLU 45 -8.372 5.794 -15.549 353 H LYS 46 H LYS 46 -11.566 8.103 -13.201 354 HA LYS 46 HA LYS 46 -14.434 8.481 -13.892 355 HB2 LYS 46 2HB LYS 46 -13.433 6.931 -11.483 356 HB3 LYS 46 3HB LYS 46 -15.107 7.411 -11.765 357 HG2 LYS 46 2HG LYS 46 -15.292 5.973 -13.697 358 HG3 LYS 46 3HG LYS 46 -13.597 5.482 -13.568 359 HD2 LYS 46 2HD LYS 46 -15.698 5.114 -11.398 360 HD3 LYS 46 3HD LYS 46 -15.212 3.845 -12.539 361 HE2 LYS 46 2HE LYS 46 -13.520 5.149 -10.365 362 HE3 LYS 46 3HE LYS 46 -14.096 3.484 -10.409 363 HZ1 LYS 46 3HZ LYS 46 -12.100 4.685 -12.263 364 HZ2 LYS 46 1HZ LYS 46 -11.762 3.685 -11.052 365 HZ3 LYS 46 2HZ LYS 46 -12.628 3.117 -12.341 366 HA PRO 47 HA PRO 47 -12.278 11.796 -11.283 367 HB2 PRO 47 2HB PRO 47 -12.793 13.983 -12.902 368 HB3 PRO 47 3HB PRO 47 -11.336 12.949 -13.007 369 HG2 PRO 47 2HG PRO 47 -13.881 12.747 -14.649 370 HG3 PRO 47 3HG PRO 47 -12.179 12.731 -15.227 371 HD2 PRO 47 2HD PRO 47 -13.547 10.438 -14.895 372 HD3 PRO 47 3HD PRO 47 -11.823 10.550 -14.421 373 H GLN 48 H GLN 48 -15.446 11.354 -12.661 374 HA GLN 48 HA GLN 48 -16.900 13.384 -11.254 375 HB2 GLN 48 2HB GLN 48 -17.778 10.654 -12.291 376 HB3 GLN 48 3HB GLN 48 -18.864 11.936 -11.764 377 HG2 GLN 48 2HG GLN 48 -16.964 12.083 -14.151 378 HG3 GLN 48 3HG GLN 48 -18.705 11.850 -14.210 379 HE21 GLN 48 2HE2 GLN 48 -20.103 13.690 -13.345 380 HE22 GLN 48 1HE2 GLN 48 -19.453 15.315 -13.501 381 H LEU 49 H LEU 49 -15.625 10.241 -10.115 382 HA LEU 49 HA LEU 49 -17.209 10.073 -7.706 383 HB2 LEU 49 2HB LEU 49 -14.347 9.246 -8.382 384 HB3 LEU 49 3HB LEU 49 -15.173 8.784 -6.903 385 HG LEU 49 HG LEU 49 -16.037 7.952 -9.702 386 HD11 LEU 49 1HD1 LEU 49 -13.898 6.992 -8.916 387 HD12 LEU 49 2HD1 LEU 49 -14.675 6.496 -7.401 388 HD13 LEU 49 3HD1 LEU 49 -15.185 5.752 -8.935 389 HD21 LEU 49 3HD2 LEU 49 -17.970 8.052 -8.215 390 HD22 LEU 49 1HD2 LEU 49 -17.498 6.361 -8.426 391 HD23 LEU 49 2HD2 LEU 49 -17.066 7.222 -6.926 392 H GLY 50 H GLY 50 -14.485 12.152 -8.542 393 HA2 GLY 50 2HA GLY 50 -13.028 13.417 -7.239 394 HA3 GLY 50 3HA GLY 50 -14.029 13.130 -5.812 395 H MET 51 H MET 51 -12.392 12.432 -4.498 396 HA MET 51 HA MET 51 -10.233 10.804 -5.253 397 HB2 MET 51 2HB MET 51 -10.903 11.413 -2.386 398 HB3 MET 51 3HB MET 51 -9.335 11.277 -3.178 399 HG2 MET 51 2HG MET 51 -10.173 13.409 -4.532 400 HG3 MET 51 3HG MET 51 -11.332 13.554 -3.214 401 HE1 MET 51 3HE MET 51 -7.912 14.546 -4.540 402 HE2 MET 51 1HE MET 51 -6.805 14.181 -3.193 403 HE3 MET 51 2HE MET 51 -7.702 12.869 -4.011 404 H ILE 52 H ILE 52 -9.811 8.694 -5.002 405 HA ILE 52 HA ILE 52 -11.583 7.066 -3.254 406 HB ILE 52 HB ILE 52 -11.057 5.107 -4.686 407 HG12 ILE 52 2HG1 ILE 52 -10.110 7.059 -6.819 408 HG13 ILE 52 3HG1 ILE 52 -8.995 6.173 -5.786 409 HG21 ILE 52 1HG2 ILE 52 -12.716 5.554 -6.354 410 HG22 ILE 52 2HG2 ILE 52 -13.161 6.322 -4.819 411 HG23 ILE 52 3HG2 ILE 52 -12.508 7.311 -6.164 412 HD11 ILE 52 3HD1 ILE 52 -9.919 4.023 -6.527 413 HD12 ILE 52 1HD1 ILE 52 -11.021 4.873 -7.640 414 HD13 ILE 52 2HD1 ILE 52 -9.275 4.994 -7.864 415 H ASP 53 H ASP 53 -10.611 5.174 -2.434 416 HA ASP 53 HA ASP 53 -7.692 5.400 -1.811 417 HB2 ASP 53 2HB ASP 53 -9.854 3.610 -0.638 418 HB3 ASP 53 3HB ASP 53 -8.139 3.513 -0.245 419 H ARG 54 H ARG 54 -6.993 4.923 -3.932 420 HA ARG 54 HA ARG 54 -7.983 2.618 -5.434 421 HB2 ARG 54 2HB ARG 54 -6.973 4.951 -6.194 422 HB3 ARG 54 3HB ARG 54 -5.429 4.101 -6.122 423 HG2 ARG 54 2HG ARG 54 -6.022 2.603 -7.847 424 HG3 ARG 54 3HG ARG 54 -7.760 2.940 -7.667 425 HD2 ARG 54 2HD ARG 54 -7.024 5.428 -8.272 426 HD3 ARG 54 3HD ARG 54 -5.651 4.610 -9.035 427 HE ARG 54 HE ARG 54 -8.568 4.451 -9.727 428 HH11 ARG 54 1HH2 ARG 54 -5.321 3.691 -10.897 429 HH12 ARG 54 2HH2 ARG 54 -5.940 3.480 -12.518 430 HH21 ARG 54 1HH1 ARG 54 -9.154 4.322 -11.684 431 HH22 ARG 54 2HH1 ARG 54 -8.090 3.754 -12.977 432 H TRP 55 H TRP 55 -7.317 0.530 -5.163 433 HA TRP 55 HA TRP 55 -5.132 0.027 -3.288 434 HB2 TRP 55 2HB TRP 55 -7.150 -1.849 -4.529 435 HB3 TRP 55 3HB TRP 55 -5.934 -2.310 -3.348 436 HD1 TRP 55 HD1 TRP 55 -9.322 -0.722 -3.608 437 HE1 TRP 55 HE1 TRP 55 -10.257 -0.185 -1.288 438 HE3 TRP 55 HE3 TRP 55 -5.124 -1.607 -0.801 439 HZ2 TRP 55 HZ2 TRP 55 -9.305 -0.087 1.431 440 HZ3 TRP 55 HZ3 TRP 55 -5.141 -1.171 1.648 441 HH2 TRP 55 HH2 TRP 55 -7.229 -0.439 2.774 442 H TYR 56 H TYR 56 -3.482 -1.387 -3.491 443 HA TYR 56 HA TYR 56 -2.420 -2.289 -6.094 444 HB2 TYR 56 2HB TYR 56 -0.996 -0.505 -4.063 445 HB3 TYR 56 3HB TYR 56 -0.268 -1.194 -5.505 446 HD1 TYR 56 HD1 TYR 56 -0.945 -0.406 -7.747 447 HD2 TYR 56 HD2 TYR 56 -2.400 1.506 -4.200 448 HE1 TYR 56 HE1 TYR 56 -1.676 1.548 -9.122 449 HE2 TYR 56 HE2 TYR 56 -3.172 3.445 -5.562 450 HH TYR 56 HH TYR 56 -2.708 3.584 -9.109 451 H HIS 57 H HIS 57 -0.820 -3.901 -5.877 452 HA HIS 57 HA HIS 57 -0.862 -5.634 -3.526 453 HB2 HIS 57 2HB HIS 57 0.898 -5.684 -5.977 454 HB3 HIS 57 3HB HIS 57 1.034 -6.850 -4.696 455 HD2 HIS 57 HD2 HIS 57 -1.382 -8.252 -4.100 456 HE1 HIS 57 HE1 HIS 57 -2.571 -8.273 -8.180 457 HE2 HIS 57 HE2 HIS 57 -2.922 -9.372 -5.936 458 HA PRO 58 HA PRO 58 2.834 -4.162 -1.297 459 HB2 PRO 58 2HB PRO 58 3.612 -7.075 -1.256 460 HB3 PRO 58 3HB PRO 58 3.627 -5.880 0.083 461 HG2 PRO 58 2HG PRO 58 1.602 -7.653 -0.082 462 HG3 PRO 58 3HG PRO 58 1.233 -5.922 0.235 463 HD2 PRO 58 2HD PRO 58 1.116 -7.408 -2.404 464 HD3 PRO 58 3HD PRO 58 -0.101 -6.323 -1.666 465 H GLY 59 H GLY 59 3.304 -6.267 -4.107 466 HA2 GLY 59 2HA GLY 59 6.113 -5.427 -4.504 467 HA3 GLY 59 3HA GLY 59 5.118 -6.388 -5.603 468 H CYS 60 HN CYS 60 2.933 -4.808 -6.073 469 HA CYS 60 HA CYS 60 3.966 -3.158 -8.066 470 HB2 CYS 60 2HB CYS 60 1.121 -3.302 -7.016 471 HB3 CYS 60 3HB CYS 60 1.625 -2.754 -8.622 472 H PHE 61 H PHE 61 2.483 -2.202 -4.925 473 HA PHE 61 HA PHE 61 2.334 0.569 -5.566 474 HB2 PHE 61 2HB PHE 61 1.616 0.871 -3.480 475 HB3 PHE 61 3HB PHE 61 1.470 -0.877 -3.484 476 HD1 PHE 61 HD2 PHE 61 3.345 -2.253 -2.495 477 HD2 PHE 61 HD1 PHE 61 3.193 2.009 -2.095 478 HE1 PHE 61 HE2 PHE 61 4.813 -2.408 -0.470 479 HE2 PHE 61 HE1 PHE 61 4.656 1.875 -0.061 480 HZ PHE 61 HZ PHE 61 5.452 -0.335 0.749 481 H VAL 62 H VAL 62 5.082 -1.359 -4.379 482 HA VAL 62 HA VAL 62 6.954 0.843 -4.273 483 HB VAL 62 HB VAL 62 7.602 -2.086 -4.737 484 HG11 VAL 62 1HG1 VAL 62 9.268 0.223 -3.645 485 HG12 VAL 62 2HG1 VAL 62 9.764 -1.481 -3.703 486 HG13 VAL 62 3HG1 VAL 62 9.505 -0.600 -5.204 487 HG21 VAL 62 3HG2 VAL 62 7.117 -0.502 -2.184 488 HG22 VAL 62 1HG2 VAL 62 6.342 -2.005 -2.714 489 HG23 VAL 62 2HG2 VAL 62 8.029 -2.027 -2.218 490 H LYS 63 H LYS 63 6.045 -1.403 -6.912 491 HA LYS 63 HA LYS 63 7.955 -0.514 -8.823 492 HB2 LYS 63 2HB LYS 63 6.619 -2.572 -9.048 493 HB3 LYS 63 3HB LYS 63 5.142 -1.620 -9.196 494 HG2 LYS 63 2HG LYS 63 5.942 -0.649 -11.327 495 HG3 LYS 63 3HG LYS 63 7.430 -1.592 -11.183 496 HD2 LYS 63 2HD LYS 63 5.867 -2.674 -12.719 497 HD3 LYS 63 3HD LYS 63 6.153 -3.682 -11.310 498 HE2 LYS 63 2HE LYS 63 3.820 -3.775 -11.958 499 HE3 LYS 63 3HE LYS 63 3.962 -3.060 -10.358 500 HZ1 LYS 63 3HZ LYS 63 3.461 -0.918 -11.255 501 HZ2 LYS 63 1HZ LYS 63 3.702 -1.407 -12.815 502 HZ3 LYS 63 2HZ LYS 63 2.406 -1.919 -11.968 503 H ASN 64 H ASN 64 4.747 0.836 -8.046 504 HA ASN 64 HA ASN 64 5.279 3.143 -9.858 505 HB2 ASN 64 2HB ASN 64 2.650 3.447 -9.209 506 HB3 ASN 64 3HB ASN 64 3.310 2.767 -10.672 507 HD21 ASN 64 1HD2 ASN 64 1.762 1.943 -7.569 508 HD22 ASN 64 2HD2 ASN 64 1.296 0.348 -8.150 509 H ARG 65 H ARG 65 6.285 2.656 -6.904 510 HA ARG 65 HA ARG 65 5.218 4.477 -5.173 511 HB2 ARG 65 2HB ARG 65 7.366 4.515 -4.088 512 HB3 ARG 65 3HB ARG 65 7.153 2.931 -4.794 513 HG2 ARG 65 2HG ARG 65 8.522 3.773 -6.805 514 HG3 ARG 65 3HG ARG 65 8.875 5.219 -5.843 515 HD2 ARG 65 2HD ARG 65 9.982 3.930 -4.161 516 HD3 ARG 65 3HD ARG 65 9.508 2.397 -4.914 517 HE ARG 65 HE ARG 65 11.716 4.148 -5.663 518 HH11 ARG 65 1HH2 ARG 65 9.602 1.653 -6.986 519 HH12 ARG 65 2HH2 ARG 65 10.777 1.214 -8.199 520 HH21 ARG 65 1HH1 ARG 65 13.124 3.527 -7.251 521 HH22 ARG 65 2HH1 ARG 65 12.698 2.248 -8.347 522 H GLU 66 H GLU 66 7.275 5.291 -7.906 523 HA GLU 66 HA GLU 66 7.521 8.088 -7.184 524 HB2 GLU 66 2HB GLU 66 8.776 8.267 -9.292 525 HB3 GLU 66 3HB GLU 66 9.362 6.988 -8.220 526 HG2 GLU 66 2HG GLU 66 8.282 5.267 -9.576 527 HG3 GLU 66 3HG GLU 66 7.546 6.491 -10.616 528 H GLU 67 H GLU 67 5.232 6.245 -9.018 529 HA GLU 67 HA GLU 67 3.905 8.582 -10.205 530 HB2 GLU 67 2HB GLU 67 3.942 6.274 -11.271 531 HB3 GLU 67 3HB GLU 67 2.892 5.737 -9.962 532 HG2 GLU 67 2HG GLU 67 1.502 6.201 -11.826 533 HG3 GLU 67 3HG GLU 67 1.206 7.473 -10.654 534 H LEU 68 H LEU 68 3.504 6.307 -7.454 535 HA LEU 68 HA LEU 68 1.172 7.591 -6.358 536 HB2 LEU 68 2HB LEU 68 3.235 5.806 -5.019 537 HB3 LEU 68 3HB LEU 68 1.674 6.237 -4.341 538 HG LEU 68 HG LEU 68 2.168 4.503 -6.795 539 HD11 LEU 68 1HD1 LEU 68 2.598 3.415 -4.638 540 HD12 LEU 68 2HD1 LEU 68 0.988 3.896 -4.059 541 HD13 LEU 68 3HD1 LEU 68 1.142 2.751 -5.404 542 HD21 LEU 68 3HD2 LEU 68 -0.507 5.228 -5.572 543 HD22 LEU 68 1HD2 LEU 68 0.094 5.803 -7.150 544 HD23 LEU 68 2HD2 LEU 68 -0.208 4.088 -6.892 545 H GLY 69 H GLY 69 4.595 8.348 -6.014 546 HA2 GLY 69 2HA GLY 69 5.154 10.657 -5.679 547 HA3 GLY 69 3HA GLY 69 3.769 10.866 -4.614 548 H PHE 70 H PHE 70 5.837 8.058 -4.151 549 HA PHE 70 HA PHE 70 6.512 8.784 -1.442 550 HB2 PHE 70 2HB PHE 70 7.382 6.593 -3.338 551 HB3 PHE 70 3HB PHE 70 8.144 6.788 -1.777 552 HD1 PHE 70 HD1 PHE 70 4.882 6.021 -3.413 553 HD2 PHE 70 HD2 PHE 70 7.117 6.124 0.266 554 HE1 PHE 70 HE1 PHE 70 3.150 4.615 -2.325 555 HE2 PHE 70 HE2 PHE 70 5.384 4.727 1.357 556 HZ PHE 70 HZ PHE 70 3.406 3.961 0.057 557 H ARG 71 H ARG 71 8.269 9.550 -0.552 558 HA ARG 71 HA ARG 71 10.875 9.770 -1.941 559 HB2 ARG 71 2HB ARG 71 9.535 11.963 -0.290 560 HB3 ARG 71 3HB ARG 71 11.250 11.947 -0.667 561 HG2 ARG 71 2HG ARG 71 10.876 12.242 -3.011 562 HG3 ARG 71 3HG ARG 71 9.143 11.919 -2.860 563 HD2 ARG 71 2HD ARG 71 9.572 14.331 -3.116 564 HD3 ARG 71 3HD ARG 71 8.760 13.915 -1.611 565 HE ARG 71 HE ARG 71 10.593 14.620 -0.357 566 HH11 ARG 71 1HH2 ARG 71 11.660 14.663 -3.711 567 HH12 ARG 71 2HH2 ARG 71 13.130 15.499 -3.280 568 HH21 ARG 71 1HH1 ARG 71 12.323 15.576 0.092 569 HH22 ARG 71 2HH1 ARG 71 13.526 16.035 -1.122 570 HA PRO 72 HA PRO 72 12.355 7.717 1.646 571 HB2 PRO 72 2HB PRO 72 14.368 9.932 2.076 572 HB3 PRO 72 3HB PRO 72 14.617 8.161 2.110 573 HG2 PRO 72 2HG PRO 72 15.291 9.566 -0.108 574 HG3 PRO 72 3HG PRO 72 14.399 8.019 -0.286 575 HD2 PRO 72 2HD PRO 72 13.301 10.843 -0.385 576 HD3 PRO 72 3HD PRO 72 12.954 9.457 -1.460 577 H GLU 73 H GLU 73 11.984 11.240 2.224 578 HA GLU 73 HA GLU 73 11.798 11.156 5.048 579 HB2 GLU 73 2HB GLU 73 10.938 13.399 4.875 580 HB3 GLU 73 3HB GLU 73 12.213 13.165 3.682 581 HG2 GLU 73 2HG GLU 73 10.369 12.725 1.957 582 HG3 GLU 73 3HG GLU 73 9.209 13.243 3.180 583 H TYR 74 H TYR 74 9.527 9.953 2.841 584 HA TYR 74 HA TYR 74 7.798 9.148 5.023 585 HB2 TYR 74 2HB TYR 74 5.694 9.816 3.684 586 HB3 TYR 74 3HB TYR 74 6.500 10.940 4.745 587 HD1 TYR 74 HD2 TYR 74 7.206 10.070 1.132 588 HD2 TYR 74 HD1 TYR 74 6.103 13.070 4.021 589 HE1 TYR 74 HE2 TYR 74 7.131 11.797 -0.678 590 HE2 TYR 74 HE1 TYR 74 6.068 14.792 2.230 591 HH TYR 74 HH TYR 74 6.313 15.219 -0.000 592 H SER 75 H SER 75 9.316 7.455 4.179 593 HA SER 75 HA SER 75 8.716 5.735 2.029 594 HB2 SER 75 2HB SER 75 9.929 4.116 3.318 595 HB3 SER 75 3HB SER 75 10.678 5.689 3.587 596 HG SER 75 HG SER 75 9.927 5.721 5.630 597 H ALA 76 H ALA 76 8.084 3.299 2.820 598 HA ALA 76 HA ALA 76 5.300 3.036 3.198 599 HB1 ALA 76 1HB ALA 76 6.814 1.270 2.338 600 HB2 ALA 76 2HB ALA 76 7.553 1.119 3.950 601 HB3 ALA 76 3HB ALA 76 5.845 0.699 3.708 602 H SER 77 H SER 77 7.700 3.823 5.617 603 HA SER 77 HA SER 77 6.326 2.886 7.948 604 HB2 SER 77 2HB SER 77 8.136 5.327 7.752 605 HB3 SER 77 3HB SER 77 7.800 4.338 9.181 606 HG SER 77 HG SER 77 9.407 3.788 6.930 607 H GLN 78 H GLN 78 5.648 5.576 5.795 608 HA GLN 78 HA GLN 78 3.814 6.759 7.761 609 HB2 GLN 78 2HB GLN 78 5.130 8.065 5.362 610 HB3 GLN 78 3HB GLN 78 3.938 8.795 6.433 611 HG2 GLN 78 2HG GLN 78 5.696 8.074 8.333 612 HG3 GLN 78 3HG GLN 78 6.824 8.146 6.991 613 HE21 GLN 78 2HE2 GLN 78 7.600 9.891 8.747 614 HE22 GLN 78 1HE2 GLN 78 6.976 11.502 8.456 615 H LEU 79 H LEU 79 3.166 4.387 6.188 616 HA LEU 79 HA LEU 79 0.817 5.308 4.605 617 HB2 LEU 79 2HB LEU 79 1.911 2.583 5.414 618 HB3 LEU 79 3HB LEU 79 0.365 2.784 4.613 619 HG LEU 79 HG LEU 79 2.843 3.878 3.268 620 HD11 LEU 79 1HD1 LEU 79 1.975 0.966 3.069 621 HD12 LEU 79 2HD1 LEU 79 3.257 1.764 2.144 622 HD13 LEU 79 3HD1 LEU 79 3.429 1.524 3.890 623 HD21 LEU 79 3HD2 LEU 79 0.422 2.441 2.121 624 HD22 LEU 79 1HD2 LEU 79 0.452 4.175 2.440 625 HD23 LEU 79 2HD2 LEU 79 1.583 3.475 1.274 626 H LYS 80 H LYS 80 -1.229 5.401 5.389 627 HA LYS 80 HA LYS 80 -1.809 5.519 8.150 628 HB2 LYS 80 2HB LYS 80 -3.804 4.779 5.966 629 HB3 LYS 80 3HB LYS 80 -4.192 5.314 7.598 630 HG2 LYS 80 2HG LYS 80 -2.971 7.452 7.125 631 HG3 LYS 80 3HG LYS 80 -2.827 6.938 5.433 632 HD2 LYS 80 2HD LYS 80 -5.428 7.393 6.977 633 HD3 LYS 80 3HD LYS 80 -4.699 8.532 5.839 634 HE2 LYS 80 2HE LYS 80 -4.944 6.877 4.006 635 HE3 LYS 80 3HE LYS 80 -5.685 5.732 5.137 636 HZ1 LYS 80 3HZ LYS 80 -6.823 8.390 4.450 637 HZ2 LYS 80 1HZ LYS 80 -7.359 6.960 3.871 638 HZ3 LYS 80 2HZ LYS 80 -7.504 7.303 5.460 639 H GLY 81 H GLY 81 -2.226 4.098 9.703 640 HA2 GLY 81 2HA GLY 81 -2.701 2.124 10.804 641 HA3 GLY 81 3HA GLY 81 -3.324 1.464 9.292 642 H PHE 82 H PHE 82 -0.047 2.424 8.778 643 HA PHE 82 HA PHE 82 0.923 -0.172 8.317 644 HB2 PHE 82 2HB PHE 82 2.058 1.658 7.369 645 HB3 PHE 82 3HB PHE 82 2.196 2.509 8.901 646 HD1 PHE 82 HD1 PHE 82 3.695 -0.154 6.794 647 HD2 PHE 82 HD2 PHE 82 3.919 2.054 10.487 648 HE1 PHE 82 HE1 PHE 82 6.010 -0.979 7.151 649 HE2 PHE 82 HE2 PHE 82 6.231 1.203 10.857 650 HZ PHE 82 HZ PHE 82 7.269 -0.323 9.183 651 H SER 83 H SER 83 1.266 1.856 11.258 652 HA SER 83 HA SER 83 2.861 0.157 12.788 653 HB2 SER 83 2HB SER 83 0.674 2.067 13.702 654 HB3 SER 83 3HB SER 83 2.000 1.450 14.714 655 HG SER 83 HG SER 83 2.468 3.518 13.828 656 H LEU 84 H LEU 84 -0.512 -0.302 12.029 657 HA LEU 84 HA LEU 84 -1.019 -2.114 14.316 658 HB2 LEU 84 2HB LEU 84 -2.777 -0.814 12.205 659 HB3 LEU 84 3HB LEU 84 -3.342 -2.147 13.192 660 HG LEU 84 HG LEU 84 -2.979 -0.865 15.256 661 HD11 LEU 84 1HD1 LEU 84 -1.253 0.739 14.696 662 HD12 LEU 84 2HD1 LEU 84 -2.249 1.433 13.388 663 HD13 LEU 84 3HD1 LEU 84 -2.717 1.629 15.092 664 HD21 LEU 84 3HD2 LEU 84 -4.670 0.568 13.163 665 HD22 LEU 84 1HD2 LEU 84 -5.158 -0.868 14.090 666 HD23 LEU 84 2HD2 LEU 84 -4.876 0.664 14.927 667 H LEU 85 H LEU 85 0.270 -2.468 11.192 668 HA LEU 85 HA LEU 85 -0.790 -5.126 10.613 669 HB2 LEU 85 2HB LEU 85 1.498 -3.454 9.569 670 HB3 LEU 85 3HB LEU 85 1.475 -5.171 9.250 671 HG LEU 85 HG LEU 85 -0.642 -5.022 8.074 672 HD11 LEU 85 1HD1 LEU 85 -1.621 -2.840 7.447 673 HD12 LEU 85 2HD1 LEU 85 -1.757 -3.141 9.181 674 HD13 LEU 85 3HD1 LEU 85 -0.511 -2.030 8.572 675 HD21 LEU 85 3HD2 LEU 85 1.471 -4.692 6.852 676 HD22 LEU 85 1HD2 LEU 85 0.147 -3.771 6.124 677 HD23 LEU 85 2HD2 LEU 85 1.358 -2.939 7.127 678 H ALA 86 H ALA 86 0.729 -7.067 10.565 679 HA ALA 86 HA ALA 86 1.849 -7.571 13.198 680 HB1 ALA 86 1HB ALA 86 2.109 -9.157 10.609 681 HB2 ALA 86 2HB ALA 86 2.447 -9.743 12.249 682 HB3 ALA 86 3HB ALA 86 0.785 -9.324 11.782 683 H THR 87 H THR 87 4.055 -7.818 13.764 684 HA THR 87 HA THR 87 5.798 -5.846 12.890 685 HB THR 87 HB THR 87 6.665 -8.481 14.113 686 HG1 THR 87 1HG THR 87 6.178 -7.493 16.084 687 HG21 THR 87 1HG2 THR 87 7.750 -5.634 14.388 688 HG22 THR 87 2HG2 THR 87 8.331 -7.050 15.297 689 HG23 THR 87 3HG2 THR 87 8.550 -6.977 13.544 690 H GLU 88 H GLU 88 5.733 -9.252 11.766 691 HA GLU 88 HA GLU 88 8.087 -9.064 10.143 692 HB2 GLU 88 2HB GLU 88 7.367 -11.143 9.155 693 HB3 GLU 88 3HB GLU 88 7.154 -11.183 10.903 694 HG2 GLU 88 2HG GLU 88 4.698 -10.692 10.568 695 HG3 GLU 88 3HG GLU 88 4.956 -10.799 8.824 696 H ASP 89 H ASP 89 4.738 -8.095 9.467 697 HA ASP 89 HA ASP 89 5.296 -7.651 6.603 698 HB2 ASP 89 2HB ASP 89 2.881 -7.061 8.337 699 HB3 ASP 89 3HB ASP 89 2.997 -6.677 6.624 700 H LYS 90 H LYS 90 5.017 -5.701 9.576 701 HA LYS 90 HA LYS 90 5.411 -3.104 8.394 702 HB2 LYS 90 2HB LYS 90 6.080 -4.260 11.134 703 HB3 LYS 90 3HB LYS 90 6.355 -2.560 10.719 704 HG2 LYS 90 2HG LYS 90 4.071 -2.132 10.344 705 HG3 LYS 90 3HG LYS 90 3.644 -3.844 10.310 706 HD2 LYS 90 2HD LYS 90 2.868 -2.835 12.353 707 HD3 LYS 90 3HD LYS 90 4.074 -4.084 12.685 708 HE2 LYS 90 2HE LYS 90 5.785 -2.346 13.075 709 HE3 LYS 90 3HE LYS 90 4.618 -1.084 12.653 710 HZ1 LYS 90 3HZ LYS 90 4.383 -2.952 14.960 711 HZ2 LYS 90 1HZ LYS 90 4.732 -1.361 15.062 712 HZ3 LYS 90 2HZ LYS 90 3.247 -1.850 14.558 713 H GLU 91 H GLU 91 7.766 -5.547 9.510 714 HA GLU 91 HA GLU 91 10.102 -4.074 8.631 715 HB2 GLU 91 2HB GLU 91 9.590 -7.028 9.137 716 HB3 GLU 91 3HB GLU 91 11.158 -6.395 8.648 717 HG2 GLU 91 2HG GLU 91 9.660 -5.542 11.160 718 HG3 GLU 91 3HG GLU 91 10.947 -6.741 11.104 719 H ALA 92 H ALA 92 8.166 -6.661 6.985 720 HA ALA 92 HA ALA 92 9.753 -6.766 4.675 721 HB1 ALA 92 1HB ALA 92 6.777 -7.282 4.947 722 HB2 ALA 92 2HB ALA 92 7.826 -7.851 3.631 723 HB3 ALA 92 3HB ALA 92 8.088 -8.445 5.281 724 H LEU 93 H LEU 93 6.976 -4.547 5.282 725 HA LEU 93 HA LEU 93 6.908 -3.455 2.621 726 HB2 LEU 93 2HB LEU 93 5.996 -2.436 5.336 727 HB3 LEU 93 3HB LEU 93 5.739 -1.526 3.852 728 HG LEU 93 HG LEU 93 4.646 -4.334 4.292 729 HD11 LEU 93 1HD1 LEU 93 3.664 -2.724 5.871 730 HD12 LEU 93 2HD1 LEU 93 3.300 -1.607 4.533 731 HD13 LEU 93 3HD1 LEU 93 2.485 -3.183 4.633 732 HD21 LEU 93 3HD2 LEU 93 4.880 -3.771 1.908 733 HD22 LEU 93 1HD2 LEU 93 3.183 -3.758 2.382 734 HD23 LEU 93 2HD2 LEU 93 4.049 -2.221 2.179 735 H LYS 94 H LYS 94 8.696 -2.410 5.558 736 HA LYS 94 HA LYS 94 10.032 -0.180 4.256 737 HB2 LYS 94 2HB LYS 94 10.788 -1.864 6.671 738 HB3 LYS 94 3HB LYS 94 11.646 -0.406 6.162 739 HG2 LYS 94 2HG LYS 94 9.608 0.952 6.478 740 HG3 LYS 94 3HG LYS 94 8.713 -0.474 7.008 741 HD2 LYS 94 2HD LYS 94 11.155 0.724 8.394 742 HD3 LYS 94 3HD LYS 94 9.474 0.889 8.923 743 HE2 LYS 94 2HE LYS 94 9.312 -1.571 9.223 744 HE3 LYS 94 3HE LYS 94 10.978 -1.756 8.673 745 HZ1 LYS 94 3HZ LYS 94 10.137 -0.386 11.158 746 HZ2 LYS 94 1HZ LYS 94 10.942 -1.819 11.013 747 HZ3 LYS 94 2HZ LYS 94 11.681 -0.420 10.598 748 H LYS 95 H LYS 95 10.872 -3.623 4.708 749 HA LYS 95 HA LYS 95 13.447 -3.436 3.480 750 HB2 LYS 95 2HB LYS 95 11.599 -5.776 3.996 751 HB3 LYS 95 3HB LYS 95 13.174 -5.988 3.231 752 HG2 LYS 95 2HG LYS 95 14.350 -5.079 5.122 753 HG3 LYS 95 3HG LYS 95 12.853 -4.598 5.923 754 HD2 LYS 95 2HD LYS 95 12.159 -6.992 6.045 755 HD3 LYS 95 3HD LYS 95 13.704 -7.474 5.335 756 HE2 LYS 95 2HE LYS 95 13.374 -5.908 7.942 757 HE3 LYS 95 3HE LYS 95 13.563 -7.661 7.851 758 HZ1 LYS 95 3HZ LYS 95 15.586 -5.691 6.929 759 HZ2 LYS 95 1HZ LYS 95 15.681 -6.594 8.281 760 HZ3 LYS 95 2HZ LYS 95 15.745 -7.316 6.820 761 H GLN 96 H GLN 96 10.451 -3.210 1.933 762 HA GLN 96 HA GLN 96 11.754 -3.629 -0.732 763 HB2 GLN 96 2HB GLN 96 8.805 -3.552 -0.035 764 HB3 GLN 96 3HB GLN 96 9.478 -3.703 -1.662 765 HG2 GLN 96 2HG GLN 96 9.934 -5.740 0.564 766 HG3 GLN 96 3HG GLN 96 8.705 -5.861 -0.681 767 HE21 GLN 96 2HE2 GLN 96 12.313 -5.756 -0.225 768 HE22 GLN 96 1HE2 GLN 96 12.610 -6.652 -1.707 769 H LEU 97 H LEU 97 9.978 -1.220 1.234 770 HA LEU 97 HA LEU 97 11.192 0.878 -0.485 771 HB2 LEU 97 2HB LEU 97 8.948 0.490 -1.268 772 HB3 LEU 97 3HB LEU 97 8.275 0.722 0.342 773 HG LEU 97 HG LEU 97 8.765 3.088 0.297 774 HD11 LEU 97 1HD1 LEU 97 10.966 3.173 -0.736 775 HD12 LEU 97 2HD1 LEU 97 10.317 2.540 -2.265 776 HD13 LEU 97 3HD1 LEU 97 9.859 4.163 -1.684 777 HD21 LEU 97 3HD2 LEU 97 7.747 2.165 -2.422 778 HD22 LEU 97 1HD2 LEU 97 6.784 2.371 -0.944 779 HD23 LEU 97 2HD2 LEU 97 7.518 3.775 -1.720 780 HA PRO 98 HA PRO 98 11.890 1.817 3.950 781 HB2 PRO 98 2HB PRO 98 14.628 1.892 3.979 782 HB3 PRO 98 3HB PRO 98 13.687 0.390 4.088 783 HG2 PRO 98 2HG PRO 98 15.169 1.516 1.734 784 HG3 PRO 98 3HG PRO 98 14.856 -0.197 2.167 785 HD2 PRO 98 2HD PRO 98 13.440 1.374 0.265 786 HD3 PRO 98 3HD PRO 98 12.976 -0.225 0.905 787 H GLY 99 H GLY 99 12.566 3.841 4.981 788 HA2 GLY 99 2HA GLY 99 14.420 5.620 3.677 789 HA3 GLY 99 3HA GLY 99 12.787 6.265 3.613 790 H VAL 100 H VAL 100 13.086 7.950 4.915 791 HA VAL 100 HA VAL 100 14.316 7.827 7.578 792 HB VAL 100 HB VAL 100 13.431 9.928 5.633 793 HG11 VAL 100 1HG1 VAL 100 13.855 11.731 7.278 794 HG12 VAL 100 2HG1 VAL 100 12.371 10.842 7.558 795 HG13 VAL 100 3HG1 VAL 100 13.806 10.522 8.580 796 HG21 VAL 100 3HG2 VAL 100 15.943 9.586 7.297 797 HG22 VAL 100 1HG2 VAL 100 15.733 9.088 5.602 798 HG23 VAL 100 2HG2 VAL 100 15.668 10.804 6.029 799 H LYS 101 H LYS 101 13.217 8.101 9.453 800 HA LYS 101 HA LYS 101 10.439 7.380 9.663 801 HB2 LYS 101 2HB LYS 101 10.680 7.845 12.050 802 HB3 LYS 101 3HB LYS 101 11.989 6.843 11.432 803 HG2 LYS 101 2HG LYS 101 13.517 8.803 11.424 804 HG3 LYS 101 3HG LYS 101 12.197 9.836 12.008 805 HD2 LYS 101 2HD LYS 101 12.010 8.490 14.047 806 HD3 LYS 101 3HD LYS 101 13.360 7.460 13.513 807 HE2 LYS 101 2HE LYS 101 14.877 9.404 13.521 808 HE3 LYS 101 3HE LYS 101 13.530 10.483 13.893 809 HZ1 LYS 101 3HZ LYS 101 13.235 9.205 15.994 810 HZ2 LYS 101 1HZ LYS 101 14.595 8.377 15.710 811 HZ3 LYS 101 2HZ LYS 101 14.665 10.004 15.929 812 H SER 102 H SER 102 12.011 10.435 9.788 813 HA SER 102 HA SER 102 9.964 11.998 8.586 814 HB2 SER 102 2HB SER 102 10.336 12.273 11.582 815 HB3 SER 102 3HB SER 102 9.756 13.613 10.571 816 HG SER 102 HG SER 102 8.508 11.059 10.650 817 H GLU 103 H GLU 103 12.673 11.933 10.875 818 HA GLU 103 HA GLU 103 14.387 13.445 9.037 819 HB2 GLU 103 2HB GLU 103 13.468 15.210 10.465 820 HB3 GLU 103 3HB GLU 103 13.949 14.332 11.918 821 HG2 GLU 103 2HG GLU 103 16.306 14.638 11.398 822 HG3 GLU 103 3HG GLU 103 15.924 15.227 9.777 823 H GLY 104 H GLY 104 16.473 12.644 9.091 824 HA2 GLY 104 2HA GLY 104 16.492 9.932 9.693 825 HA3 GLY 104 3HA GLY 104 17.880 10.856 9.125 826 H LYS 105 H LYS 105 17.858 12.446 11.734 827 HA LYS 105 HA LYS 105 18.904 10.352 13.609 828 HB2 LYS 105 2HB LYS 105 20.872 11.639 14.053 829 HB3 LYS 105 3HB LYS 105 20.782 11.289 12.338 830 HG2 LYS 105 2HG LYS 105 20.214 13.516 11.755 831 HG3 LYS 105 3HG LYS 105 19.752 13.953 13.399 832 HD2 LYS 105 2HD LYS 105 22.611 13.292 12.568 833 HD3 LYS 105 3HD LYS 105 21.930 14.925 12.658 834 HE2 LYS 105 2HE LYS 105 21.304 14.430 15.085 835 HE3 LYS 105 3HE LYS 105 22.244 12.947 14.963 836 HZ1 LYS 105 3HZ LYS 105 24.204 14.333 14.463 837 HZ2 LYS 105 1HZ LYS 105 23.297 15.698 14.630 838 HZ3 LYS 105 2HZ LYS 105 23.531 14.725 15.914 839 H ARG 106 H ARG 106 16.471 12.376 13.547 840 HA ARG 106 HA ARG 106 16.973 14.198 15.713 841 HB2 ARG 106 2HB ARG 106 15.275 14.387 13.820 842 HB3 ARG 106 3HB ARG 106 14.241 13.285 14.734 843 HG2 ARG 106 2HG ARG 106 14.326 14.953 16.658 844 HG3 ARG 106 3HG ARG 106 15.270 16.025 15.603 845 HD2 ARG 106 2HD ARG 106 13.339 15.919 13.938 846 HD3 ARG 106 3HD ARG 106 12.424 15.039 15.156 847 HE ARG 106 HE ARG 106 12.082 17.021 16.353 848 HH11 ARG 106 1HH2 ARG 106 14.474 17.772 13.832 849 HH12 ARG 106 2HH2 ARG 106 14.326 19.477 14.177 850 HH21 ARG 106 1HH1 ARG 106 12.009 19.044 16.698 851 HH22 ARG 106 2HH1 ARG 106 12.952 20.217 15.779 852 H LYS 107 H LYS 107 16.804 14.015 17.857 853 HA LYS 107 HA LYS 107 14.954 12.156 19.135 854 HB2 LYS 107 2HB LYS 107 16.715 11.189 20.675 855 HB3 LYS 107 3HB LYS 107 16.612 10.529 19.051 856 HG2 LYS 107 2HG LYS 107 18.621 11.609 18.342 857 HG3 LYS 107 3HG LYS 107 18.695 12.617 19.804 858 HD2 LYS 107 2HD LYS 107 19.255 10.785 21.197 859 HD3 LYS 107 3HD LYS 107 18.669 9.596 20.036 860 HE2 LYS 107 2HE LYS 107 21.086 9.529 20.202 861 HE3 LYS 107 3HE LYS 107 20.555 9.939 18.569 862 HZ1 LYS 107 3HZ LYS 107 22.445 11.293 19.484 863 HZ2 LYS 107 1HZ LYS 107 21.233 12.179 18.880 864 HZ3 LYS 107 2HZ LYS 107 21.405 12.050 20.496 865 H GLY 108 H GLY 108 14.508 12.622 21.311 866 HA2 GLY 108 2HA GLY 108 13.974 14.140 22.968 867 HA3 GLY 108 3HA GLY 108 15.578 14.856 22.767 868 H ASP 109 H ASP 109 13.305 14.685 20.094 869 HA ASP 109 HA ASP 109 12.714 16.197 18.586 870 HB2 ASP 109 2HB ASP 109 10.974 16.554 20.321 871 HB3 ASP 109 3HB ASP 109 11.881 17.951 20.906 872 H GLU 110 H GLU 110 15.485 16.254 19.258 873 HA GLU 110 HA GLU 110 16.185 18.880 18.038 874 HB2 GLU 110 2HB GLU 110 17.661 17.479 20.311 875 HB3 GLU 110 3HB GLU 110 18.318 18.805 19.348 876 HG2 GLU 110 2HG GLU 110 16.409 20.254 20.069 877 HG3 GLU 110 3HG GLU 110 15.863 18.961 21.141 878 H VAL 111 H VAL 111 18.183 18.829 16.818 879 HA VAL 111 HA VAL 111 18.569 16.295 15.377 880 HB VAL 111 HB VAL 111 20.026 18.862 14.723 881 HG11 VAL 111 1HG1 VAL 111 18.968 16.546 13.022 882 HG12 VAL 111 2HG1 VAL 111 19.896 17.940 12.432 883 HG13 VAL 111 3HG1 VAL 111 20.662 16.770 13.504 884 HG21 VAL 111 3HG2 VAL 111 17.701 19.575 14.818 885 HG22 VAL 111 1HG2 VAL 111 18.168 19.379 13.130 886 HG23 VAL 111 2HG2 VAL 111 17.184 18.128 13.921 887 H ASP 112 H ASP 112 19.300 15.958 17.902 888 HA ASP 112 HA ASP 112 22.020 16.582 18.625 889 HB2 ASP 112 2HB ASP 112 20.262 16.326 20.275 890 HB3 ASP 112 3HB ASP 112 19.946 14.675 19.759 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 6.190 15.776 27.813 2 H2 GLY 1 H2 GLY 1 4.629 15.483 28.213 3 H3 GLY 1 H3 GLY 1 4.982 16.369 26.881 4 HA2 GLY 1 2HA GLY 1 5.614 13.513 27.245 5 HA3 GLY 1 3HA GLY 1 4.289 14.147 26.251 6 H SER 2 H SER 2 6.548 12.476 25.419 7 HA SER 2 HA SER 2 8.377 14.129 23.855 8 HB2 SER 2 2HB SER 2 9.185 11.929 23.018 9 HB3 SER 2 3HB SER 2 9.211 12.092 24.780 10 HG SER 2 HG SER 2 8.345 10.070 24.104 11 H LYS 3 H LYS 3 8.650 13.955 21.559 12 HA LYS 3 HA LYS 3 6.129 14.172 20.057 13 HB2 LYS 3 2HB LYS 3 9.036 14.559 19.233 14 HB3 LYS 3 3HB LYS 3 7.641 14.815 18.177 15 HG2 LYS 3 2HG LYS 3 6.775 16.566 19.711 16 HG3 LYS 3 3HG LYS 3 8.152 16.312 20.788 17 HD2 LYS 3 2HD LYS 3 8.574 18.270 19.475 18 HD3 LYS 3 3HD LYS 3 9.704 17.006 18.972 19 HE2 LYS 3 2HE LYS 3 8.280 16.517 16.994 20 HE3 LYS 3 3HE LYS 3 7.111 17.735 17.526 21 HZ1 LYS 3 3HZ LYS 3 8.848 19.422 17.251 22 HZ2 LYS 3 1HZ LYS 3 9.930 18.299 16.765 23 HZ3 LYS 3 2HZ LYS 3 8.622 18.626 15.847 24 H ALA 4 H ALA 4 5.674 13.080 18.110 25 HA ALA 4 HA ALA 4 7.042 10.531 17.519 26 HB1 ALA 4 1HB ALA 4 5.328 9.944 19.208 27 HB2 ALA 4 2HB ALA 4 4.073 10.715 18.211 28 HB3 ALA 4 3HB ALA 4 4.919 9.268 17.621 29 H GLU 5 H GLU 5 6.388 9.595 15.480 30 HA GLU 5 HA GLU 5 5.852 11.606 13.407 31 HB2 GLU 5 2HB GLU 5 6.528 8.640 13.280 32 HB3 GLU 5 3HB GLU 5 6.217 9.645 11.872 33 HG2 GLU 5 2HG GLU 5 8.578 9.483 12.119 34 HG3 GLU 5 3HG GLU 5 8.088 11.136 12.459 35 H LYS 6 H LYS 6 4.277 11.383 11.742 36 HA LYS 6 HA LYS 6 1.893 9.699 12.243 37 HB2 LYS 6 2HB LYS 6 1.540 11.854 13.450 38 HB3 LYS 6 3HB LYS 6 1.761 12.732 11.930 39 HG2 LYS 6 2HG LYS 6 -0.241 11.634 10.984 40 HG3 LYS 6 3HG LYS 6 -0.418 10.655 12.457 41 HD2 LYS 6 2HD LYS 6 -0.765 12.724 13.784 42 HD3 LYS 6 3HD LYS 6 -0.572 13.702 12.311 43 HE2 LYS 6 2HE LYS 6 -2.525 12.549 11.295 44 HE3 LYS 6 3HE LYS 6 -2.716 11.572 12.757 45 HZ1 LYS 6 3HZ LYS 6 -4.208 13.490 12.773 46 HZ2 LYS 6 1HZ LYS 6 -3.138 13.632 13.995 47 HZ3 LYS 6 2HZ LYS 6 -2.962 14.535 12.644 48 H THR 7 H THR 7 0.789 9.134 10.454 49 HA THR 7 HA THR 7 1.897 8.680 8.036 50 HB THR 7 HB THR 7 -1.047 9.365 8.259 51 HG1 THR 7 1HG THR 7 -1.382 7.468 9.340 52 HG21 THR 7 1HG2 THR 7 0.337 6.941 7.065 53 HG22 THR 7 2HG2 THR 7 -1.347 7.382 6.903 54 HG23 THR 7 3HG2 THR 7 -0.143 8.351 6.090 55 H LEU 8 H LEU 8 1.979 9.617 5.940 56 HA LEU 8 HA LEU 8 1.932 12.500 5.925 57 HB2 LEU 8 2HB LEU 8 2.984 12.460 3.955 58 HB3 LEU 8 3HB LEU 8 3.412 10.860 4.530 59 HG LEU 8 HG LEU 8 1.216 11.534 2.512 60 HD11 LEU 8 1HD1 LEU 8 3.907 10.205 2.082 61 HD12 LEU 8 2HD1 LEU 8 2.665 10.506 0.852 62 HD13 LEU 8 3HD1 LEU 8 3.485 11.871 1.625 63 HD21 LEU 8 3HD2 LEU 8 2.302 8.840 3.375 64 HD22 LEU 8 1HD2 LEU 8 0.693 9.434 3.777 65 HD23 LEU 8 2HD2 LEU 8 1.116 9.120 2.085 66 H GLY 9 H GLY 9 -0.662 10.353 5.447 67 HA2 GLY 9 2HA GLY 9 -2.906 10.879 5.257 68 HA3 GLY 9 3HA GLY 9 -2.500 12.548 4.863 69 H ASP 10 H ASP 10 -0.983 10.038 2.910 70 HA ASP 10 HA ASP 10 -2.899 10.629 0.709 71 HB2 ASP 10 2HB ASP 10 -0.332 11.667 0.874 72 HB3 ASP 10 3HB ASP 10 -0.098 10.227 -0.129 73 H PHE 11 H PHE 11 -1.047 8.099 2.300 74 HA PHE 11 HA PHE 11 -2.430 6.175 0.597 75 HB2 PHE 11 2HB PHE 11 -0.199 4.879 0.298 76 HB3 PHE 11 3HB PHE 11 -0.680 6.140 -0.783 77 HD1 PHE 11 HD1 PHE 11 1.353 6.057 2.448 78 HD2 PHE 11 HD2 PHE 11 1.016 7.382 -1.647 79 HE1 PHE 11 HE1 PHE 11 3.668 6.916 2.528 80 HE2 PHE 11 HE2 PHE 11 3.301 8.327 -1.521 81 HZ PHE 11 HZ PHE 11 4.642 8.069 0.562 82 H ALA 12 H ALA 12 -2.312 3.994 1.310 83 HA ALA 12 HA ALA 12 -2.385 3.697 4.265 84 HB1 ALA 12 1HB ALA 12 -4.539 2.688 2.415 85 HB2 ALA 12 2HB ALA 12 -4.626 2.947 4.157 86 HB3 ALA 12 3HB ALA 12 -4.597 4.335 3.037 87 H ALA 13 H ALA 13 -2.582 1.529 5.060 88 HA ALA 13 HA ALA 13 -1.871 -0.736 3.290 89 HB1 ALA 13 1HB ALA 13 -0.292 0.102 5.771 90 HB2 ALA 13 2HB ALA 13 0.046 -1.290 4.700 91 HB3 ALA 13 3HB ALA 13 0.223 0.365 4.098 92 H GLU 14 H GLU 14 -2.850 -2.672 3.969 93 HA GLU 14 HA GLU 14 -3.947 -3.062 6.632 94 HB2 GLU 14 2HB GLU 14 -5.507 -1.363 5.628 95 HB3 GLU 14 3HB GLU 14 -5.764 -2.426 4.251 96 HG2 GLU 14 2HG GLU 14 -7.632 -2.449 5.835 97 HG3 GLU 14 3HG GLU 14 -6.924 -4.035 5.642 98 H TYR 15 H TYR 15 -4.974 -5.240 6.745 99 HA TYR 15 HA TYR 15 -4.020 -7.102 4.651 100 HB2 TYR 15 2HB TYR 15 -5.584 -7.533 7.207 101 HB3 TYR 15 3HB TYR 15 -5.071 -8.809 6.108 102 HD1 TYR 15 HD1 TYR 15 -2.430 -8.505 5.376 103 HD2 TYR 15 HD2 TYR 15 -4.161 -7.133 9.067 104 HE1 TYR 15 HE1 TYR 15 -0.249 -8.892 6.542 105 HE2 TYR 15 HE2 TYR 15 -1.993 -7.518 10.224 106 HH TYR 15 HH TYR 15 0.885 -8.777 8.471 107 H ALA 16 H ALA 16 -5.122 -7.929 3.025 108 HA ALA 16 HA ALA 16 -7.571 -6.838 2.137 109 HB1 ALA 16 1HB ALA 16 -6.109 -9.373 1.381 110 HB2 ALA 16 2HB ALA 16 -7.384 -8.599 0.407 111 HB3 ALA 16 3HB ALA 16 -5.837 -7.766 0.684 112 H LYS 17 H LYS 17 -9.329 -7.035 3.502 113 HA LYS 17 HA LYS 17 -10.055 -9.401 4.927 114 HB2 LYS 17 2HB LYS 17 -10.649 -7.050 5.523 115 HB3 LYS 17 3HB LYS 17 -11.739 -6.979 4.143 116 HG2 LYS 17 2HG LYS 17 -12.967 -7.301 6.207 117 HG3 LYS 17 3HG LYS 17 -13.184 -8.702 5.164 118 HD2 LYS 17 2HD LYS 17 -11.556 -9.988 6.519 119 HD3 LYS 17 3HD LYS 17 -11.233 -8.549 7.514 120 HE2 LYS 17 2HE LYS 17 -13.628 -8.515 8.203 121 HE3 LYS 17 3HE LYS 17 -13.930 -9.955 7.222 122 HZ1 LYS 17 3HZ LYS 17 -12.356 -11.168 8.640 123 HZ2 LYS 17 1HZ LYS 17 -12.078 -9.835 9.546 124 HZ3 LYS 17 2HZ LYS 17 -13.551 -10.534 9.549 125 H SER 18 H SER 18 -10.693 -8.503 1.651 126 HA SER 18 HA SER 18 -11.895 -11.095 1.091 127 HB2 SER 18 2HB SER 18 -13.896 -10.240 -0.029 128 HB3 SER 18 3HB SER 18 -13.908 -9.820 1.687 129 HG SER 18 HG SER 18 -13.046 -7.730 1.037 130 H ASN 19 H ASN 19 -11.991 -11.554 -1.200 131 HA ASN 19 HA ASN 19 -9.791 -10.434 -2.714 132 HB2 ASN 19 2HB ASN 19 -10.346 -12.826 -2.623 133 HB3 ASN 19 3HB ASN 19 -11.919 -12.514 -3.359 134 HD21 ASN 19 2HD2 ASN 19 -8.522 -11.490 -4.231 135 HD22 ASN 19 1HD2 ASN 19 -8.606 -12.285 -5.793 136 H ARG 20 H ARG 20 -12.442 -8.819 -2.158 137 HA ARG 20 HA ARG 20 -13.506 -8.144 -4.800 138 HB2 ARG 20 2HB ARG 20 -13.883 -6.932 -2.050 139 HB3 ARG 20 3HB ARG 20 -14.716 -6.392 -3.517 140 HG2 ARG 20 2HG ARG 20 -15.627 -8.677 -3.870 141 HG3 ARG 20 3HG ARG 20 -14.875 -9.224 -2.362 142 HD2 ARG 20 2HD ARG 20 -16.863 -6.945 -2.583 143 HD3 ARG 20 3HD ARG 20 -17.297 -8.621 -2.178 144 HE ARG 20 HE ARG 20 -15.242 -7.833 -0.392 145 HH11 ARG 20 1HH2 ARG 20 -18.600 -6.958 -0.910 146 HH12 ARG 20 2HH2 ARG 20 -18.824 -6.501 0.758 147 HH21 ARG 20 1HH1 ARG 20 -15.583 -7.252 1.669 148 HH22 ARG 20 2HH1 ARG 20 -17.139 -6.664 2.194 149 H SER 21 H SER 21 -10.989 -6.792 -2.698 150 HA SER 21 HA SER 21 -10.638 -4.326 -4.175 151 HB2 SER 21 2HB SER 21 -8.340 -4.356 -3.065 152 HB3 SER 21 3HB SER 21 -9.756 -4.282 -2.016 153 HG SER 21 HG SER 21 -8.485 -6.745 -2.668 154 H THR 22 H THR 22 -9.131 -3.790 -5.769 155 HA THR 22 HA THR 22 -7.803 -6.034 -7.215 156 HB THR 22 HB THR 22 -9.450 -3.874 -8.523 157 HG1 THR 22 1HG THR 22 -10.767 -5.346 -7.467 158 HG21 THR 22 1HG2 THR 22 -7.664 -4.728 -10.005 159 HG22 THR 22 2HG2 THR 22 -8.221 -6.389 -9.710 160 HG23 THR 22 3HG2 THR 22 -9.263 -5.238 -10.566 161 H CYS 23 HN CYS 23 -5.857 -5.559 -8.066 162 HA CYS 23 HA CYS 23 -4.560 -3.170 -7.092 163 HB2 CYS 23 2HB CYS 23 -3.456 -5.267 -6.934 164 HB3 CYS 23 3HB CYS 23 -3.771 -5.621 -8.634 165 H LYS 24 H LYS 24 -4.790 -1.293 -8.158 166 HA LYS 24 HA LYS 24 -5.120 -1.078 -11.074 167 HB2 LYS 24 2HB LYS 24 -4.805 0.844 -8.759 168 HB3 LYS 24 3HB LYS 24 -4.641 1.412 -10.425 169 HG2 LYS 24 2HG LYS 24 -6.901 1.756 -9.859 170 HG3 LYS 24 3HG LYS 24 -6.858 0.425 -10.996 171 HD2 LYS 24 2HD LYS 24 -7.344 -1.191 -9.258 172 HD3 LYS 24 3HD LYS 24 -7.007 -0.011 -7.988 173 HE2 LYS 24 2HE LYS 24 -9.370 -0.282 -8.087 174 HE3 LYS 24 3HE LYS 24 -8.987 1.324 -8.709 175 HZ1 LYS 24 3HZ LYS 24 -9.646 -1.059 -10.365 176 HZ2 LYS 24 1HZ LYS 24 -10.622 0.214 -10.102 177 HZ3 LYS 24 2HZ LYS 24 -9.261 0.415 -10.977 178 H GLY 25 H GLY 25 -2.458 -1.671 -9.135 179 HA2 GLY 25 2HA GLY 25 -0.372 -0.414 -10.731 180 HA3 GLY 25 3HA GLY 25 -0.175 -1.692 -9.528 181 H CYS 26 HN CYS 26 -2.034 -3.537 -10.945 182 HA CYS 26 HA CYS 26 -0.729 -3.922 -13.568 183 HB2 CYS 26 2HB CYS 26 -0.105 -6.199 -13.208 184 HB3 CYS 26 3HB CYS 26 0.646 -5.199 -11.964 185 H MET 27 H MET 27 -3.637 -3.911 -11.966 186 HA MET 27 HA MET 27 -5.723 -4.457 -12.423 187 HB2 MET 27 2HB MET 27 -4.818 -4.792 -15.287 188 HB3 MET 27 3HB MET 27 -6.496 -4.741 -14.767 189 HG2 MET 27 2HG MET 27 -4.689 -2.448 -14.003 190 HG3 MET 27 3HG MET 27 -5.224 -2.604 -15.662 191 HE1 MET 27 3HE MET 27 -7.706 -3.556 -12.554 192 HE2 MET 27 1HE MET 27 -6.485 -2.414 -11.949 193 HE3 MET 27 2HE MET 27 -8.176 -1.899 -12.142 194 H GLU 28 H GLU 28 -4.715 -6.261 -10.996 195 HA GLU 28 HA GLU 28 -6.268 -8.625 -11.844 196 HB2 GLU 28 2HB GLU 28 -3.460 -8.879 -10.680 197 HB3 GLU 28 3HB GLU 28 -4.642 -10.181 -10.818 198 HG2 GLU 28 2HG GLU 28 -4.702 -9.707 -13.335 199 HG3 GLU 28 3HG GLU 28 -3.272 -8.699 -13.087 200 H LYS 29 H LYS 29 -7.137 -9.827 -10.009 201 HA LYS 29 HA LYS 29 -7.841 -7.921 -7.934 202 HB2 LYS 29 2HB LYS 29 -8.784 -10.781 -8.222 203 HB3 LYS 29 3HB LYS 29 -9.359 -9.557 -7.062 204 HG2 LYS 29 2HG LYS 29 -9.870 -8.066 -9.049 205 HG3 LYS 29 3HG LYS 29 -9.629 -9.467 -10.090 206 HD2 LYS 29 2HD LYS 29 -11.459 -10.652 -9.068 207 HD3 LYS 29 3HD LYS 29 -11.598 -9.479 -7.751 208 HE2 LYS 29 2HE LYS 29 -12.029 -8.768 -10.682 209 HE3 LYS 29 3HE LYS 29 -13.334 -9.283 -9.609 210 HZ1 LYS 29 3HZ LYS 29 -13.123 -6.844 -9.716 211 HZ2 LYS 29 1HZ LYS 29 -12.890 -7.382 -8.193 212 HZ3 LYS 29 2HZ LYS 29 -11.613 -6.905 -9.083 213 H ILE 30 H ILE 30 -7.407 -7.824 -5.869 214 HA ILE 30 HA ILE 30 -4.851 -8.928 -5.048 215 HB ILE 30 HB ILE 30 -6.846 -6.997 -3.882 216 HG12 ILE 30 2HG1 ILE 30 -3.925 -6.591 -4.651 217 HG13 ILE 30 3HG1 ILE 30 -5.214 -6.486 -5.839 218 HG21 ILE 30 1HG2 ILE 30 -4.235 -7.780 -2.538 219 HG22 ILE 30 2HG2 ILE 30 -5.383 -6.503 -2.056 220 HG23 ILE 30 3HG2 ILE 30 -5.865 -8.181 -1.931 221 HD11 ILE 30 3HD1 ILE 30 -4.637 -4.284 -5.115 222 HD12 ILE 30 1HD1 ILE 30 -6.279 -4.658 -4.572 223 HD13 ILE 30 2HD1 ILE 30 -4.922 -4.689 -3.412 224 H GLU 31 H GLU 31 -4.366 -10.505 -3.625 225 HA GLU 31 HA GLU 31 -6.361 -12.518 -3.114 226 HB2 GLU 31 2HB GLU 31 -3.464 -12.210 -2.226 227 HB3 GLU 31 3HB GLU 31 -4.437 -13.643 -1.903 228 HG2 GLU 31 2HG GLU 31 -3.800 -12.602 -4.698 229 HG3 GLU 31 3HG GLU 31 -2.868 -13.822 -3.844 230 H LYS 32 H LYS 32 -7.387 -13.080 -1.327 231 HA LYS 32 HA LYS 32 -7.704 -11.258 0.898 232 HB2 LYS 32 2HB LYS 32 -9.498 -12.728 0.024 233 HB3 LYS 32 3HB LYS 32 -8.590 -14.154 0.541 234 HG2 LYS 32 2HG LYS 32 -8.778 -13.404 2.916 235 HG3 LYS 32 3HG LYS 32 -9.697 -11.981 2.381 236 HD2 LYS 32 2HD LYS 32 -11.453 -13.461 1.487 237 HD3 LYS 32 3HD LYS 32 -10.490 -14.887 1.942 238 HE2 LYS 32 2HE LYS 32 -10.598 -14.202 4.324 239 HE3 LYS 32 3HE LYS 32 -11.564 -12.790 3.882 240 HZ1 LYS 32 3HZ LYS 32 -12.966 -14.626 4.635 241 HZ2 LYS 32 1HZ LYS 32 -13.292 -14.308 3.070 242 HZ3 LYS 32 2HZ LYS 32 -12.396 -15.616 3.472 243 H GLY 33 H GLY 33 -7.078 -11.422 2.996 244 HA2 GLY 33 2HA GLY 33 -6.019 -12.145 4.910 245 HA3 GLY 33 3HA GLY 33 -5.671 -13.682 4.120 246 H GLN 34 H GLN 34 -4.421 -11.030 2.363 247 HA GLN 34 HA GLN 34 -1.814 -11.005 3.772 248 HB2 GLN 34 2HB GLN 34 -0.573 -11.188 1.689 249 HB3 GLN 34 3HB GLN 34 -1.530 -12.613 2.034 250 HG2 GLN 34 2HG GLN 34 -1.727 -12.318 -0.281 251 HG3 GLN 34 3HG GLN 34 -3.263 -11.768 0.360 252 HE21 GLN 34 1HE2 GLN 34 -3.902 -9.613 -0.231 253 HE22 GLN 34 2HE2 GLN 34 -2.713 -8.411 -0.765 254 H VAL 35 H VAL 35 -0.404 -9.124 2.902 255 HA VAL 35 HA VAL 35 -1.843 -6.748 3.593 256 HB VAL 35 HB VAL 35 0.919 -7.019 2.342 257 HG11 VAL 35 1HG1 VAL 35 0.165 -4.699 2.113 258 HG12 VAL 35 2HG1 VAL 35 -0.365 -4.669 3.814 259 HG13 VAL 35 3HG1 VAL 35 1.356 -4.802 3.398 260 HG21 VAL 35 3HG2 VAL 35 0.083 -6.722 5.262 261 HG22 VAL 35 1HG2 VAL 35 0.752 -8.195 4.517 262 HG23 VAL 35 2HG2 VAL 35 1.746 -6.749 4.645 263 H ARG 36 H ARG 36 -2.716 -5.115 2.450 264 HA ARG 36 HA ARG 36 -2.085 -4.813 -0.427 265 HB2 ARG 36 2HB ARG 36 -4.366 -4.293 -1.003 266 HB3 ARG 36 3HB ARG 36 -4.217 -5.938 -0.365 267 HG2 ARG 36 2HG ARG 36 -5.256 -5.342 1.719 268 HG3 ARG 36 3HG ARG 36 -5.170 -3.627 1.343 269 HD2 ARG 36 2HD ARG 36 -6.687 -4.118 -0.675 270 HD3 ARG 36 3HD ARG 36 -6.940 -5.716 0.035 271 HE ARG 36 HE ARG 36 -7.419 -3.259 1.663 272 HH11 ARG 36 1HH2 ARG 36 -9.048 -5.777 -0.166 273 HH12 ARG 36 2HH2 ARG 36 -10.514 -5.582 0.743 274 HH21 ARG 36 1HH1 ARG 36 -9.329 -3.047 2.724 275 HH22 ARG 36 2HH1 ARG 36 -10.682 -4.050 2.303 276 H LEU 37 H LEU 37 -1.949 -2.702 -1.145 277 HA LEU 37 HA LEU 37 -2.045 -0.595 0.961 278 HB2 LEU 37 2HB LEU 37 -0.217 -0.579 -1.458 279 HB3 LEU 37 3HB LEU 37 -0.244 0.514 -0.054 280 HG LEU 37 HG LEU 37 1.671 -0.661 0.181 281 HD11 LEU 37 1HD1 LEU 37 1.509 -1.751 2.271 282 HD12 LEU 37 2HD1 LEU 37 0.290 -0.461 2.172 283 HD13 LEU 37 3HD1 LEU 37 -0.203 -2.157 2.019 284 HD21 LEU 37 3HD2 LEU 37 0.270 -3.370 -0.027 285 HD22 LEU 37 1HD2 LEU 37 1.120 -2.584 -1.371 286 HD23 LEU 37 2HD2 LEU 37 1.997 -3.028 0.112 287 H SER 38 H SER 38 -2.619 1.573 0.239 288 HA SER 38 HA SER 38 -3.633 1.814 -2.500 289 HB2 SER 38 2HB SER 38 -5.808 2.740 -1.864 290 HB3 SER 38 3HB SER 38 -5.623 1.083 -1.295 291 HG SER 38 HG SER 38 -6.445 2.258 0.383 292 H LYS 39 H LYS 39 -4.188 4.007 -3.160 293 HA LYS 39 HA LYS 39 -2.917 6.176 -1.520 294 HB2 LYS 39 2HB LYS 39 -1.413 5.765 -3.331 295 HB3 LYS 39 3HB LYS 39 -2.728 5.736 -4.511 296 HG2 LYS 39 2HG LYS 39 -3.133 8.118 -4.241 297 HG3 LYS 39 3HG LYS 39 -1.959 8.221 -2.911 298 HD2 LYS 39 2HD LYS 39 -0.127 7.714 -4.385 299 HD3 LYS 39 3HD LYS 39 -1.242 7.315 -5.711 300 HE2 LYS 39 2HE LYS 39 -0.553 9.393 -6.357 301 HE3 LYS 39 3HE LYS 39 -2.062 9.767 -5.525 302 HZ1 LYS 39 3HZ LYS 39 -0.206 11.242 -4.890 303 HZ2 LYS 39 1HZ LYS 39 -0.749 10.447 -3.582 304 HZ3 LYS 39 2HZ LYS 39 0.650 9.970 -4.320 305 H LYS 40 H LYS 40 -4.096 7.952 -1.184 306 HA LYS 40 HA LYS 40 -6.866 8.114 -2.203 307 HB2 LYS 40 2HB LYS 40 -6.742 8.396 0.077 308 HB3 LYS 40 3HB LYS 40 -5.383 9.478 0.018 309 HG2 LYS 40 2HG LYS 40 -8.155 10.191 -1.110 310 HG3 LYS 40 3HG LYS 40 -7.705 10.437 0.572 311 HD2 LYS 40 2HD LYS 40 -6.682 11.881 -1.856 312 HD3 LYS 40 3HD LYS 40 -7.457 12.537 -0.422 313 HE2 LYS 40 2HE LYS 40 -5.438 12.049 0.933 314 HE3 LYS 40 3HE LYS 40 -4.688 11.270 -0.468 315 HZ1 LYS 40 3HZ LYS 40 -3.789 13.370 -0.406 316 HZ2 LYS 40 1HZ LYS 40 -4.843 13.441 -1.621 317 HZ3 LYS 40 2HZ LYS 40 -5.234 14.152 -0.184 318 H MET 41 H MET 41 -7.110 8.963 -4.165 319 HA MET 41 HA MET 41 -6.142 11.665 -4.722 320 HB2 MET 41 2HB MET 41 -4.973 11.114 -6.811 321 HB3 MET 41 3HB MET 41 -4.148 10.459 -5.402 322 HG2 MET 41 2HG MET 41 -5.151 8.225 -5.864 323 HG3 MET 41 3HG MET 41 -5.936 8.891 -7.302 324 HE1 MET 41 3HE MET 41 -4.180 6.313 -7.242 325 HE2 MET 41 1HE MET 41 -4.957 6.957 -8.706 326 HE3 MET 41 2HE MET 41 -3.234 6.513 -8.742 327 H VAL 42 H VAL 42 -7.412 12.735 -6.330 328 HA VAL 42 HA VAL 42 -9.737 11.536 -7.387 329 HB VAL 42 HB VAL 42 -8.104 13.747 -8.699 330 HG11 VAL 42 1HG1 VAL 42 -10.279 14.374 -9.734 331 HG12 VAL 42 2HG1 VAL 42 -9.711 12.794 -10.272 332 HG13 VAL 42 3HG1 VAL 42 -11.009 12.902 -9.054 333 HG21 VAL 42 3HG2 VAL 42 -10.450 13.939 -6.761 334 HG22 VAL 42 1HG2 VAL 42 -8.769 14.425 -6.428 335 HG23 VAL 42 2HG2 VAL 42 -9.713 15.296 -7.631 336 H ASP 43 H ASP 43 -9.976 9.970 -8.885 337 HA ASP 43 HA ASP 43 -7.656 8.775 -10.130 338 HB2 ASP 43 2HB ASP 43 -9.516 7.444 -9.339 339 HB3 ASP 43 3HB ASP 43 -10.613 8.223 -10.477 340 HA PRO 44 HA PRO 44 -7.575 11.496 -13.577 341 HB2 PRO 44 2HB PRO 44 -5.760 10.234 -15.229 342 HB3 PRO 44 3HB PRO 44 -5.322 11.037 -13.691 343 HG2 PRO 44 2HG PRO 44 -5.910 8.086 -14.138 344 HG3 PRO 44 3HG PRO 44 -4.492 8.818 -13.309 345 HD2 PRO 44 2HD PRO 44 -6.596 7.910 -11.912 346 HD3 PRO 44 3HD PRO 44 -5.799 9.443 -11.444 347 H GLU 45 H GLU 45 -8.816 8.258 -13.992 348 HA GLU 45 HA GLU 45 -9.887 8.900 -16.713 349 HB2 GLU 45 2HB GLU 45 -9.896 6.283 -15.167 350 HB3 GLU 45 3HB GLU 45 -10.505 6.528 -16.797 351 HG2 GLU 45 2HG GLU 45 -7.603 6.746 -15.890 352 HG3 GLU 45 3HG GLU 45 -8.318 5.451 -16.837 353 H LYS 46 H LYS 46 -10.714 9.117 -13.454 354 HA LYS 46 HA LYS 46 -13.621 9.368 -14.026 355 HB2 LYS 46 2HB LYS 46 -12.407 7.763 -11.751 356 HB3 LYS 46 3HB LYS 46 -14.119 8.166 -11.895 357 HG2 LYS 46 2HG LYS 46 -14.332 6.889 -13.946 358 HG3 LYS 46 3HG LYS 46 -12.613 6.487 -13.945 359 HD2 LYS 46 2HD LYS 46 -14.583 5.762 -11.746 360 HD3 LYS 46 3HD LYS 46 -14.087 4.669 -13.043 361 HE2 LYS 46 2HE LYS 46 -12.329 5.803 -10.821 362 HE3 LYS 46 3HE LYS 46 -12.872 4.136 -11.007 363 HZ1 LYS 46 3HZ LYS 46 -10.914 5.581 -12.718 364 HZ2 LYS 46 1HZ LYS 46 -10.644 4.270 -11.810 365 HZ3 LYS 46 2HZ LYS 46 -11.567 4.125 -13.154 366 HA PRO 47 HA PRO 47 -11.862 12.802 -11.328 367 HB2 PRO 47 2HB PRO 47 -12.270 14.964 -12.967 368 HB3 PRO 47 3HB PRO 47 -10.787 13.961 -12.976 369 HG2 PRO 47 2HG PRO 47 -13.209 13.718 -14.800 370 HG3 PRO 47 3HG PRO 47 -11.473 13.778 -15.265 371 HD2 PRO 47 2HD PRO 47 -12.795 11.427 -15.043 372 HD3 PRO 47 3HD PRO 47 -11.093 11.591 -14.512 373 H GLN 48 H GLN 48 -14.816 11.792 -12.612 374 HA GLN 48 HA GLN 48 -16.509 13.949 -11.529 375 HB2 GLN 48 2HB GLN 48 -16.999 12.673 -13.646 376 HB3 GLN 48 3HB GLN 48 -17.231 11.214 -12.667 377 HG2 GLN 48 2HG GLN 48 -19.120 12.306 -11.487 378 HG3 GLN 48 3HG GLN 48 -18.834 13.799 -12.384 379 HE21 GLN 48 2HE2 GLN 48 -21.320 13.136 -12.679 380 HE22 GLN 48 1HE2 GLN 48 -21.628 12.251 -14.168 381 H LEU 49 H LEU 49 -15.125 10.836 -10.514 382 HA LEU 49 HA LEU 49 -16.972 10.279 -8.392 383 HB2 LEU 49 2HB LEU 49 -15.781 8.703 -9.877 384 HB3 LEU 49 3HB LEU 49 -14.227 9.319 -9.303 385 HG LEU 49 HG LEU 49 -14.556 8.400 -7.129 386 HD11 LEU 49 1HD1 LEU 49 -17.246 7.458 -8.209 387 HD12 LEU 49 2HD1 LEU 49 -16.497 6.860 -6.700 388 HD13 LEU 49 3HD1 LEU 49 -16.964 8.560 -6.838 389 HD21 LEU 49 3HD2 LEU 49 -15.146 6.526 -9.459 390 HD22 LEU 49 1HD2 LEU 49 -13.550 7.079 -8.908 391 HD23 LEU 49 2HD2 LEU 49 -14.524 5.996 -7.878 392 H GLY 50 H GLY 50 -14.104 12.254 -8.691 393 HA2 GLY 50 2HA GLY 50 -12.934 13.531 -7.147 394 HA3 GLY 50 3HA GLY 50 -14.012 12.975 -5.865 395 H MET 51 H MET 51 -12.110 12.745 -4.596 396 HA MET 51 HA MET 51 -9.923 11.115 -5.201 397 HB2 MET 51 2HB MET 51 -10.742 11.748 -2.364 398 HB3 MET 51 3HB MET 51 -9.133 11.572 -3.061 399 HG2 MET 51 2HG MET 51 -9.885 13.707 -4.481 400 HG3 MET 51 3HG MET 51 -11.053 13.894 -3.176 401 HE1 MET 51 3HE MET 51 -7.605 14.671 -4.500 402 HE2 MET 51 1HE MET 51 -6.507 14.436 -3.123 403 HE3 MET 51 2HE MET 51 -7.361 13.042 -3.844 404 H ILE 52 H ILE 52 -9.625 9.004 -5.133 405 HA ILE 52 HA ILE 52 -11.383 7.344 -3.394 406 HB ILE 52 HB ILE 52 -10.973 5.458 -4.945 407 HG12 ILE 52 2HG1 ILE 52 -10.216 7.451 -7.108 408 HG13 ILE 52 3HG1 ILE 52 -8.972 6.651 -6.147 409 HG21 ILE 52 1HG2 ILE 52 -12.478 7.786 -6.187 410 HG22 ILE 52 2HG2 ILE 52 -12.733 6.049 -6.473 411 HG23 ILE 52 3HG2 ILE 52 -13.054 6.722 -4.866 412 HD11 ILE 52 3HD1 ILE 52 -9.320 5.371 -8.159 413 HD12 ILE 52 1HD1 ILE 52 -9.867 4.439 -6.750 414 HD13 ILE 52 2HD1 ILE 52 -11.056 5.217 -7.826 415 H ASP 53 H ASP 53 -10.470 5.478 -2.576 416 HA ASP 53 HA ASP 53 -7.538 5.653 -1.957 417 HB2 ASP 53 2HB ASP 53 -9.783 4.099 -0.630 418 HB3 ASP 53 3HB ASP 53 -8.080 3.816 -0.309 419 H ARG 54 H ARG 54 -6.863 5.053 -4.024 420 HA ARG 54 HA ARG 54 -7.965 2.742 -5.408 421 HB2 ARG 54 2HB ARG 54 -7.019 5.004 -6.327 422 HB3 ARG 54 3HB ARG 54 -5.438 4.204 -6.231 423 HG2 ARG 54 2HG ARG 54 -6.124 2.481 -7.760 424 HG3 ARG 54 3HG ARG 54 -7.826 2.962 -7.633 425 HD2 ARG 54 2HD ARG 54 -7.398 3.982 -9.602 426 HD3 ARG 54 3HD ARG 54 -6.932 5.308 -8.539 427 HE ARG 54 HE ARG 54 -4.586 3.853 -8.847 428 HH11 ARG 54 1HH2 ARG 54 -6.748 5.310 -11.231 429 HH12 ARG 54 2HH2 ARG 54 -5.464 5.372 -12.419 430 HH21 ARG 54 1HH1 ARG 54 -3.043 4.119 -10.303 431 HH22 ARG 54 2HH1 ARG 54 -3.392 4.752 -11.892 432 H TRP 55 H TRP 55 -7.359 0.655 -5.191 433 HA TRP 55 HA TRP 55 -5.150 0.070 -3.380 434 HB2 TRP 55 2HB TRP 55 -7.268 -1.717 -4.587 435 HB3 TRP 55 3HB TRP 55 -6.041 -2.245 -3.447 436 HD1 TRP 55 HD1 TRP 55 -9.324 -0.372 -3.598 437 HE1 TRP 55 HE1 TRP 55 -10.183 0.124 -1.245 438 HE3 TRP 55 HE3 TRP 55 -5.175 -1.722 -0.906 439 HZ2 TRP 55 HZ2 TRP 55 -9.181 0.063 1.451 440 HZ3 TRP 55 HZ3 TRP 55 -5.106 -1.326 1.549 441 HH2 TRP 55 HH2 TRP 55 -7.102 -0.459 2.739 442 H TYR 56 H TYR 56 -3.574 -1.424 -3.622 443 HA TYR 56 HA TYR 56 -2.567 -2.334 -6.246 444 HB2 TYR 56 2HB TYR 56 -1.050 -0.653 -4.201 445 HB3 TYR 56 3HB TYR 56 -0.369 -1.346 -5.663 446 HD1 TYR 56 HD2 TYR 56 -0.995 -0.463 -7.880 447 HD2 TYR 56 HD1 TYR 56 -2.400 1.395 -4.285 448 HE1 TYR 56 HE2 TYR 56 -1.614 1.578 -9.192 449 HE2 TYR 56 HE1 TYR 56 -3.070 3.411 -5.579 450 HH TYR 56 HH TYR 56 -2.880 4.489 -7.571 451 H HIS 57 H HIS 57 -0.977 -3.972 -6.055 452 HA HIS 57 HA HIS 57 -1.063 -5.778 -3.752 453 HB2 HIS 57 2HB HIS 57 0.640 -5.734 -6.243 454 HB3 HIS 57 3HB HIS 57 0.861 -6.940 -5.018 455 HD2 HIS 57 HD2 HIS 57 -1.594 -8.359 -4.367 456 HE1 HIS 57 HE1 HIS 57 -2.861 -8.271 -8.427 457 HE2 HIS 57 HE2 HIS 57 -3.170 -9.429 -6.198 458 HA PRO 58 HA PRO 58 2.609 -4.291 -1.559 459 HB2 PRO 58 2HB PRO 58 3.733 -6.593 -0.594 460 HB3 PRO 58 3HB PRO 58 2.235 -5.859 0.055 461 HG2 PRO 58 2HG PRO 58 2.480 -8.104 -1.968 462 HG3 PRO 58 3HG PRO 58 1.450 -8.040 -0.500 463 HD2 PRO 58 2HD PRO 58 0.448 -7.461 -2.938 464 HD3 PRO 58 3HD PRO 58 -0.051 -6.509 -1.522 465 H GLY 59 H GLY 59 2.998 -6.476 -4.270 466 HA2 GLY 59 2HA GLY 59 5.860 -5.781 -4.636 467 HA3 GLY 59 3HA GLY 59 4.835 -6.705 -5.735 468 H CYS 60 HN CYS 60 2.710 -5.022 -6.235 469 HA CYS 60 HA CYS 60 3.872 -3.437 -8.233 470 HB2 CYS 60 2HB CYS 60 0.990 -3.448 -7.274 471 HB3 CYS 60 3HB CYS 60 1.572 -2.921 -8.859 472 H PHE 61 H PHE 61 2.366 -2.405 -5.124 473 HA PHE 61 HA PHE 61 2.279 0.356 -5.784 474 HB2 PHE 61 2HB PHE 61 1.603 0.707 -3.685 475 HB3 PHE 61 3HB PHE 61 1.390 -1.032 -3.681 476 HD1 PHE 61 HD2 PHE 61 3.253 -2.474 -2.701 477 HD2 PHE 61 HD1 PHE 61 3.205 1.795 -2.304 478 HE1 PHE 61 HE2 PHE 61 4.721 -2.662 -0.685 479 HE2 PHE 61 HE1 PHE 61 4.690 1.626 -0.293 480 HZ PHE 61 HZ PHE 61 5.415 -0.608 0.528 481 H VAL 62 H VAL 62 4.988 -1.615 -4.622 482 HA VAL 62 HA VAL 62 6.905 0.535 -4.426 483 HB VAL 62 HB VAL 62 7.509 -2.383 -4.997 484 HG11 VAL 62 1HG1 VAL 62 9.435 -0.860 -5.299 485 HG12 VAL 62 2HG1 VAL 62 9.148 -0.175 -3.678 486 HG13 VAL 62 3HG1 VAL 62 9.641 -1.871 -3.867 487 HG21 VAL 62 3HG2 VAL 62 6.135 -2.328 -3.013 488 HG22 VAL 62 1HG2 VAL 62 7.794 -2.539 -2.508 489 HG23 VAL 62 2HG2 VAL 62 7.037 -0.941 -2.355 490 H LYS 63 H LYS 63 6.018 -1.682 -7.096 491 HA LYS 63 HA LYS 63 7.951 -0.809 -8.975 492 HB2 LYS 63 2HB LYS 63 6.605 -2.848 -9.237 493 HB3 LYS 63 3HB LYS 63 5.128 -1.894 -9.353 494 HG2 LYS 63 2HG LYS 63 5.899 -0.908 -11.492 495 HG3 LYS 63 3HG LYS 63 7.381 -1.864 -11.381 496 HD2 LYS 63 2HD LYS 63 5.788 -2.928 -12.894 497 HD3 LYS 63 3HD LYS 63 6.078 -3.943 -11.489 498 HE2 LYS 63 2HE LYS 63 3.736 -4.009 -12.099 499 HE3 LYS 63 3HE LYS 63 3.907 -3.281 -10.507 500 HZ1 LYS 63 3HZ LYS 63 3.441 -1.132 -11.430 501 HZ2 LYS 63 1HZ LYS 63 3.624 -1.660 -12.982 502 HZ3 LYS 63 2HZ LYS 63 2.344 -2.129 -12.091 503 H ASN 64 H ASN 64 4.826 0.650 -8.142 504 HA ASN 64 HA ASN 64 5.420 2.943 -9.949 505 HB2 ASN 64 2HB ASN 64 2.781 3.295 -9.315 506 HB3 ASN 64 3HB ASN 64 3.450 2.667 -10.796 507 HD21 ASN 64 1HD2 ASN 64 1.807 1.761 -7.777 508 HD22 ASN 64 2HD2 ASN 64 1.333 0.190 -8.423 509 H ARG 65 H ARG 65 6.420 2.414 -7.010 510 HA ARG 65 HA ARG 65 5.267 4.194 -5.264 511 HB2 ARG 65 2HB ARG 65 7.340 4.182 -4.066 512 HB3 ARG 65 3HB ARG 65 7.151 2.613 -4.812 513 HG2 ARG 65 2HG ARG 65 8.673 3.463 -6.710 514 HG3 ARG 65 3HG ARG 65 8.976 4.891 -5.700 515 HD2 ARG 65 2HD ARG 65 9.912 3.508 -3.944 516 HD3 ARG 65 3HD ARG 65 9.491 2.028 -4.850 517 HE ARG 65 HE ARG 65 11.177 3.796 -6.397 518 HH11 ARG 65 1HH2 ARG 65 11.396 1.365 -3.874 519 HH12 ARG 65 2HH2 ARG 65 13.044 0.977 -4.272 520 HH21 ARG 65 1HH1 ARG 65 13.275 3.241 -6.849 521 HH22 ARG 65 2HH1 ARG 65 14.075 2.017 -5.910 522 H GLU 66 H GLU 66 7.468 5.030 -7.864 523 HA GLU 66 HA GLU 66 7.711 7.818 -7.074 524 HB2 GLU 66 2HB GLU 66 9.113 8.003 -9.079 525 HB3 GLU 66 3HB GLU 66 9.595 6.689 -7.994 526 HG2 GLU 66 2HG GLU 66 8.560 5.022 -9.461 527 HG3 GLU 66 3HG GLU 66 7.958 6.292 -10.534 528 H GLU 67 H GLU 67 5.473 6.036 -9.010 529 HA GLU 67 HA GLU 67 4.259 8.422 -10.238 530 HB2 GLU 67 2HB GLU 67 4.291 6.253 -11.427 531 HB3 GLU 67 3HB GLU 67 3.277 5.552 -10.160 532 HG2 GLU 67 2HG GLU 67 1.466 7.116 -10.682 533 HG3 GLU 67 3HG GLU 67 2.492 7.968 -11.840 534 H LEU 68 H LEU 68 3.683 6.131 -7.530 535 HA LEU 68 HA LEU 68 1.371 7.494 -6.464 536 HB2 LEU 68 2HB LEU 68 3.406 5.699 -5.093 537 HB3 LEU 68 3HB LEU 68 1.857 6.174 -4.417 538 HG LEU 68 HG LEU 68 2.276 4.410 -6.868 539 HD11 LEU 68 1HD1 LEU 68 1.211 3.798 -4.084 540 HD12 LEU 68 2HD1 LEU 68 1.328 2.653 -5.435 541 HD13 LEU 68 3HD1 LEU 68 2.802 3.328 -4.719 542 HD21 LEU 68 3HD2 LEU 68 -0.101 3.995 -6.843 543 HD22 LEU 68 1HD2 LEU 68 -0.335 5.136 -5.506 544 HD23 LEU 68 2HD2 LEU 68 0.187 5.711 -7.116 545 H GLY 69 H GLY 69 4.823 8.143 -6.131 546 HA2 GLY 69 2HA GLY 69 5.528 10.401 -5.799 547 HA3 GLY 69 3HA GLY 69 4.103 10.732 -4.818 548 H PHE 70 H PHE 70 5.952 7.805 -4.179 549 HA PHE 70 HA PHE 70 6.554 8.491 -1.460 550 HB2 PHE 70 2HB PHE 70 7.445 6.316 -3.363 551 HB3 PHE 70 3HB PHE 70 8.239 6.506 -1.818 552 HD1 PHE 70 HD1 PHE 70 4.982 5.684 -3.409 553 HD2 PHE 70 HD2 PHE 70 7.201 5.945 0.276 554 HE1 PHE 70 HE1 PHE 70 3.248 4.325 -2.270 555 HE2 PHE 70 HE2 PHE 70 5.453 4.603 1.417 556 HZ PHE 70 HZ PHE 70 3.503 3.760 0.133 557 H ARG 71 H ARG 71 8.240 9.327 -0.493 558 HA ARG 71 HA ARG 71 10.870 9.672 -1.813 559 HB2 ARG 71 2HB ARG 71 9.367 11.798 -0.222 560 HB3 ARG 71 3HB ARG 71 11.087 11.882 -0.567 561 HG2 ARG 71 2HG ARG 71 10.733 12.088 -2.932 562 HG3 ARG 71 3HG ARG 71 9.013 11.702 -2.785 563 HD2 ARG 71 2HD ARG 71 9.332 14.119 -3.093 564 HD3 ARG 71 3HD ARG 71 8.557 13.713 -1.564 565 HE ARG 71 HE ARG 71 10.354 14.561 -0.366 566 HH11 ARG 71 1HH2 ARG 71 11.444 14.444 -3.712 567 HH12 ARG 71 2HH2 ARG 71 12.883 15.346 -3.320 568 HH21 ARG 71 1HH1 ARG 71 12.047 15.598 0.036 569 HH22 ARG 71 2HH1 ARG 71 13.246 16.020 -1.194 570 HA PRO 72 HA PRO 72 12.416 7.817 1.862 571 HB2 PRO 72 2HB PRO 72 14.400 10.091 2.081 572 HB3 PRO 72 3HB PRO 72 14.694 8.326 2.191 573 HG2 PRO 72 2HG PRO 72 15.260 9.634 -0.098 574 HG3 PRO 72 3HG PRO 72 14.390 8.065 -0.177 575 HD2 PRO 72 2HD PRO 72 13.230 10.867 -0.333 576 HD3 PRO 72 3HD PRO 72 12.896 9.444 -1.364 577 H GLU 73 H GLU 73 11.706 11.300 2.173 578 HA GLU 73 HA GLU 73 11.680 11.317 5.048 579 HB2 GLU 73 2HB GLU 73 10.711 13.519 4.839 580 HB3 GLU 73 3HB GLU 73 11.994 13.319 3.647 581 HG2 GLU 73 2HG GLU 73 10.177 12.774 1.930 582 HG3 GLU 73 3HG GLU 73 8.987 13.247 3.144 583 H TYR 74 H TYR 74 9.414 9.945 2.869 584 HA TYR 74 HA TYR 74 7.733 9.188 5.118 585 HB2 TYR 74 2HB TYR 74 5.602 9.775 3.822 586 HB3 TYR 74 3HB TYR 74 6.433 10.979 4.768 587 HD1 TYR 74 HD1 TYR 74 7.205 9.904 1.225 588 HD2 TYR 74 HD2 TYR 74 5.791 13.002 3.866 589 HE1 TYR 74 HE1 TYR 74 6.971 11.448 -0.712 590 HE2 TYR 74 HE2 TYR 74 5.592 14.556 1.931 591 HH TYR 74 HH TYR 74 6.252 13.504 -1.427 592 H SER 75 H SER 75 9.114 7.400 4.488 593 HA SER 75 HA SER 75 8.606 5.631 2.325 594 HB2 SER 75 2HB SER 75 9.759 4.036 3.739 595 HB3 SER 75 3HB SER 75 10.523 5.620 3.907 596 HG SER 75 HG SER 75 10.196 4.661 5.952 597 H ALA 76 H ALA 76 7.938 3.240 3.132 598 HA ALA 76 HA ALA 76 5.164 2.977 3.439 599 HB1 ALA 76 1HB ALA 76 6.633 1.166 2.692 600 HB2 ALA 76 2HB ALA 76 7.430 1.113 4.285 601 HB3 ALA 76 3HB ALA 76 5.721 0.656 4.123 602 H SER 77 H SER 77 7.440 3.801 5.980 603 HA SER 77 HA SER 77 5.920 2.901 8.238 604 HB2 SER 77 2HB SER 77 7.260 4.510 9.504 605 HB3 SER 77 3HB SER 77 8.293 3.611 8.386 606 HG SER 77 HG SER 77 8.466 5.380 7.083 607 H GLN 78 H GLN 78 5.429 5.523 5.996 608 HA GLN 78 HA GLN 78 3.450 6.818 7.728 609 HB2 GLN 78 2HB GLN 78 4.749 7.917 5.223 610 HB3 GLN 78 3HB GLN 78 3.772 8.792 6.399 611 HG2 GLN 78 2HG GLN 78 6.581 7.701 6.758 612 HG3 GLN 78 3HG GLN 78 6.062 9.377 6.810 613 HE21 GLN 78 2HE2 GLN 78 7.234 7.110 8.819 614 HE22 GLN 78 1HE2 GLN 78 6.378 7.576 10.289 615 H LEU 79 H LEU 79 2.907 4.308 6.265 616 HA LEU 79 HA LEU 79 0.637 5.139 4.523 617 HB2 LEU 79 2HB LEU 79 1.813 2.458 5.368 618 HB3 LEU 79 3HB LEU 79 0.304 2.579 4.490 619 HG LEU 79 HG LEU 79 2.818 3.789 3.316 620 HD11 LEU 79 1HD1 LEU 79 2.010 0.888 2.911 621 HD12 LEU 79 2HD1 LEU 79 3.366 1.745 2.172 622 HD13 LEU 79 3HD1 LEU 79 3.364 1.407 3.914 623 HD21 LEU 79 3HD2 LEU 79 0.485 4.105 2.369 624 HD22 LEU 79 1HD2 LEU 79 1.690 3.478 1.245 625 HD23 LEU 79 2HD2 LEU 79 0.503 2.387 1.961 626 H LYS 80 H LYS 80 -1.402 5.279 5.235 627 HA LYS 80 HA LYS 80 -2.194 5.335 7.958 628 HB2 LYS 80 2HB LYS 80 -3.987 4.671 5.581 629 HB3 LYS 80 3HB LYS 80 -4.533 5.171 7.170 630 HG2 LYS 80 2HG LYS 80 -3.497 7.376 6.862 631 HG3 LYS 80 3HG LYS 80 -2.921 6.897 5.257 632 HD2 LYS 80 2HD LYS 80 -5.837 7.151 6.148 633 HD3 LYS 80 3HD LYS 80 -4.943 8.330 5.181 634 HE2 LYS 80 2HE LYS 80 -4.649 6.603 3.389 635 HE3 LYS 80 3HE LYS 80 -5.628 5.482 4.351 636 HZ1 LYS 80 3HZ LYS 80 -6.971 6.589 2.645 637 HZ2 LYS 80 1HZ LYS 80 -7.500 7.002 4.135 638 HZ3 LYS 80 2HZ LYS 80 -6.613 8.062 3.265 639 H GLY 81 H GLY 81 -2.464 3.767 9.444 640 HA2 GLY 81 2HA GLY 81 -3.134 1.752 10.384 641 HA3 GLY 81 3HA GLY 81 -3.650 1.182 8.800 642 H PHE 82 H PHE 82 -0.377 2.114 8.505 643 HA PHE 82 HA PHE 82 0.662 -0.486 8.097 644 HB2 PHE 82 2HB PHE 82 1.793 1.361 7.188 645 HB3 PHE 82 3HB PHE 82 1.829 2.238 8.709 646 HD1 PHE 82 HD2 PHE 82 3.457 1.800 10.429 647 HD2 PHE 82 HD1 PHE 82 3.561 -0.289 6.661 648 HE1 PHE 82 HE2 PHE 82 5.794 1.083 10.894 649 HE2 PHE 82 HE1 PHE 82 5.908 -0.967 7.107 650 HZ PHE 82 HZ PHE 82 7.015 -0.305 9.225 651 H SER 83 H SER 83 0.827 1.574 11.024 652 HA SER 83 HA SER 83 2.395 -0.086 12.625 653 HB2 SER 83 2HB SER 83 0.160 1.805 13.454 654 HB3 SER 83 3HB SER 83 1.466 1.214 14.509 655 HG SER 83 HG SER 83 1.947 3.278 13.617 656 H LEU 84 H LEU 84 -0.933 -0.580 11.756 657 HA LEU 84 HA LEU 84 -1.570 -2.332 14.042 658 HB2 LEU 84 2HB LEU 84 -3.215 -1.560 11.603 659 HB3 LEU 84 3HB LEU 84 -3.804 -2.391 13.037 660 HG LEU 84 HG LEU 84 -2.783 0.484 12.938 661 HD11 LEU 84 1HD1 LEU 84 -5.120 1.077 13.353 662 HD12 LEU 84 2HD1 LEU 84 -4.971 0.144 11.856 663 HD13 LEU 84 3HD1 LEU 84 -5.583 -0.639 13.328 664 HD21 LEU 84 3HD2 LEU 84 -3.981 -1.100 15.254 665 HD22 LEU 84 1HD2 LEU 84 -2.317 -0.480 15.151 666 HD23 LEU 84 2HD2 LEU 84 -3.670 0.651 15.252 667 H LEU 85 H LEU 85 -0.047 -2.765 11.036 668 HA LEU 85 HA LEU 85 -0.953 -5.498 10.496 669 HB2 LEU 85 2HB LEU 85 1.488 -3.954 9.575 670 HB3 LEU 85 3HB LEU 85 0.999 -5.516 8.944 671 HG LEU 85 HG LEU 85 -0.707 -2.999 8.702 672 HD11 LEU 85 1HD1 LEU 85 1.153 -4.316 6.674 673 HD12 LEU 85 2HD1 LEU 85 0.086 -2.928 6.373 674 HD13 LEU 85 3HD1 LEU 85 1.449 -2.768 7.493 675 HD21 LEU 85 3HD2 LEU 85 -1.836 -4.243 6.906 676 HD22 LEU 85 1HD2 LEU 85 -0.883 -5.683 7.305 677 HD23 LEU 85 2HD2 LEU 85 -2.041 -5.013 8.483 678 H ALA 86 H ALA 86 0.773 -7.292 10.478 679 HA ALA 86 HA ALA 86 1.941 -7.671 13.103 680 HB1 ALA 86 1HB ALA 86 2.335 -9.235 10.518 681 HB2 ALA 86 2HB ALA 86 2.742 -9.782 12.158 682 HB3 ALA 86 3HB ALA 86 1.043 -9.526 11.706 683 H THR 87 H THR 87 4.141 -7.735 13.670 684 HA THR 87 HA THR 87 5.845 -5.732 12.771 685 HB THR 87 HB THR 87 6.718 -8.375 13.977 686 HG1 THR 87 1HG THR 87 6.354 -7.330 15.948 687 HG21 THR 87 1HG2 THR 87 8.495 -6.990 15.048 688 HG22 THR 87 2HG2 THR 87 8.631 -6.960 13.285 689 HG23 THR 87 3HG2 THR 87 7.926 -5.570 14.139 690 H GLU 88 H GLU 88 5.801 -9.145 11.678 691 HA GLU 88 HA GLU 88 8.146 -9.019 10.072 692 HB2 GLU 88 2HB GLU 88 7.412 -11.095 9.109 693 HB3 GLU 88 3HB GLU 88 7.140 -11.100 10.850 694 HG2 GLU 88 2HG GLU 88 4.709 -10.560 10.421 695 HG3 GLU 88 3HG GLU 88 5.025 -10.698 8.689 696 H ASP 89 H ASP 89 4.826 -8.001 9.309 697 HA ASP 89 HA ASP 89 5.481 -7.523 6.465 698 HB2 ASP 89 2HB ASP 89 3.043 -6.898 8.166 699 HB3 ASP 89 3HB ASP 89 3.206 -6.459 6.468 700 H LYS 90 H LYS 90 5.174 -5.655 9.482 701 HA LYS 90 HA LYS 90 5.494 -3.047 8.341 702 HB2 LYS 90 2HB LYS 90 6.036 -4.162 11.116 703 HB3 LYS 90 3HB LYS 90 6.233 -2.449 10.723 704 HG2 LYS 90 2HG LYS 90 3.951 -2.150 10.208 705 HG3 LYS 90 3HG LYS 90 3.650 -3.880 10.076 706 HD2 LYS 90 2HD LYS 90 2.636 -3.019 12.079 707 HD3 LYS 90 3HD LYS 90 3.897 -4.192 12.471 708 HE2 LYS 90 2HE LYS 90 5.438 -2.347 13.058 709 HE3 LYS 90 3HE LYS 90 4.209 -1.164 12.593 710 HZ1 LYS 90 3HZ LYS 90 3.938 -3.149 14.796 711 HZ2 LYS 90 1HZ LYS 90 4.170 -1.546 14.995 712 HZ3 LYS 90 2HZ LYS 90 2.764 -2.101 14.358 713 H GLU 91 H GLU 91 8.006 -5.352 9.500 714 HA GLU 91 HA GLU 91 10.133 -3.527 8.660 715 HB2 GLU 91 2HB GLU 91 11.687 -5.289 9.021 716 HB3 GLU 91 3HB GLU 91 10.598 -5.143 10.396 717 HG2 GLU 91 2HG GLU 91 9.408 -7.151 9.752 718 HG3 GLU 91 3HG GLU 91 10.278 -7.254 8.220 719 H ALA 92 H ALA 92 8.429 -6.232 6.999 720 HA ALA 92 HA ALA 92 10.231 -6.339 4.810 721 HB1 ALA 92 1HB ALA 92 7.303 -7.129 4.972 722 HB2 ALA 92 2HB ALA 92 8.445 -7.610 3.696 723 HB3 ALA 92 3HB ALA 92 8.714 -8.149 5.363 724 H LEU 93 H LEU 93 7.224 -4.385 5.185 725 HA LEU 93 HA LEU 93 7.217 -3.335 2.514 726 HB2 LEU 93 2HB LEU 93 6.158 -2.238 5.145 727 HB3 LEU 93 3HB LEU 93 5.857 -1.483 3.580 728 HG LEU 93 HG LEU 93 4.991 -4.332 4.195 729 HD11 LEU 93 1HD1 LEU 93 3.415 -1.724 4.365 730 HD12 LEU 93 2HD1 LEU 93 2.747 -3.361 4.549 731 HD13 LEU 93 3HD1 LEU 93 3.900 -2.750 5.738 732 HD21 LEU 93 3HD2 LEU 93 3.478 -3.974 2.286 733 HD22 LEU 93 1HD2 LEU 93 4.155 -2.352 2.034 734 HD23 LEU 93 2HD2 LEU 93 5.165 -3.795 1.789 735 H LYS 94 H LYS 94 8.761 -2.069 5.518 736 HA LYS 94 HA LYS 94 9.962 0.221 4.248 737 HB2 LYS 94 2HB LYS 94 10.690 -1.299 6.789 738 HB3 LYS 94 3HB LYS 94 11.413 0.237 6.285 739 HG2 LYS 94 2HG LYS 94 9.144 1.297 6.303 740 HG3 LYS 94 3HG LYS 94 8.464 -0.203 6.933 741 HD2 LYS 94 2HD LYS 94 10.520 1.585 8.297 742 HD3 LYS 94 3HD LYS 94 8.815 1.400 8.726 743 HE2 LYS 94 2HE LYS 94 9.262 -1.036 9.234 744 HE3 LYS 94 3HE LYS 94 10.979 -0.736 8.937 745 HZ1 LYS 94 3HZ LYS 94 10.896 0.962 10.730 746 HZ2 LYS 94 1HZ LYS 94 9.347 0.568 11.052 747 HZ3 LYS 94 2HZ LYS 94 10.531 -0.534 11.290 748 H LYS 95 H LYS 95 11.089 -3.157 4.746 749 HA LYS 95 HA LYS 95 13.689 -2.705 3.673 750 HB2 LYS 95 2HB LYS 95 11.974 -5.180 3.955 751 HB3 LYS 95 3HB LYS 95 13.530 -5.255 3.125 752 HG2 LYS 95 2HG LYS 95 14.728 -4.448 5.046 753 HG3 LYS 95 3HG LYS 95 13.238 -4.104 5.931 754 HD2 LYS 95 2HD LYS 95 12.693 -6.488 6.056 755 HD3 LYS 95 3HD LYS 95 14.098 -6.892 5.039 756 HE2 LYS 95 2HE LYS 95 15.615 -5.919 6.733 757 HE3 LYS 95 3HE LYS 95 14.232 -5.503 7.755 758 HZ1 LYS 95 3HZ LYS 95 15.355 -7.613 8.380 759 HZ2 LYS 95 1HZ LYS 95 13.771 -7.815 8.090 760 HZ3 LYS 95 2HZ LYS 95 14.884 -8.294 6.973 761 H GLN 96 H GLN 96 10.661 -3.003 1.942 762 HA GLN 96 HA GLN 96 11.951 -3.308 -0.679 763 HB2 GLN 96 2HB GLN 96 9.092 -2.641 0.099 764 HB3 GLN 96 3HB GLN 96 9.686 -2.878 -1.545 765 HG2 GLN 96 2HG GLN 96 10.203 -5.196 -1.144 766 HG3 GLN 96 3HG GLN 96 9.871 -5.045 0.579 767 HE21 GLN 96 2HE2 GLN 96 8.337 -5.099 -2.654 768 HE22 GLN 96 1HE2 GLN 96 6.691 -5.201 -2.036 769 H LEU 97 H LEU 97 10.480 -0.562 1.142 770 HA LEU 97 HA LEU 97 12.217 1.247 -0.387 771 HB2 LEU 97 2HB LEU 97 10.681 2.764 -1.162 772 HB3 LEU 97 3HB LEU 97 10.203 1.182 -1.730 773 HG LEU 97 HG LEU 97 8.786 2.930 0.317 774 HD11 LEU 97 1HD1 LEU 97 7.965 1.807 -2.384 775 HD12 LEU 97 2HD1 LEU 97 6.978 2.833 -1.328 776 HD13 LEU 97 3HD1 LEU 97 8.458 3.486 -2.034 777 HD21 LEU 97 3HD2 LEU 97 7.026 1.177 0.359 778 HD22 LEU 97 1HD2 LEU 97 8.128 0.066 -0.488 779 HD23 LEU 97 2HD2 LEU 97 8.521 0.669 1.140 780 HA PRO 98 HA PRO 98 12.093 2.206 4.035 781 HB2 PRO 98 2HB PRO 98 14.872 2.399 4.408 782 HB3 PRO 98 3HB PRO 98 13.861 0.948 4.625 783 HG2 PRO 98 2HG PRO 98 15.801 1.497 2.496 784 HG3 PRO 98 3HG PRO 98 14.933 -0.021 2.880 785 HD2 PRO 98 2HD PRO 98 14.359 1.940 0.791 786 HD3 PRO 98 3HD PRO 98 13.651 0.322 1.060 787 H GLY 99 H GLY 99 12.647 4.137 5.329 788 HA2 GLY 99 2HA GLY 99 12.688 6.553 3.720 789 HA3 GLY 99 3HA GLY 99 12.356 6.411 5.438 790 H VAL 100 H VAL 100 13.535 8.387 5.220 791 HA VAL 100 HA VAL 100 16.454 8.454 5.090 792 HB VAL 100 HB VAL 100 14.850 10.305 4.461 793 HG11 VAL 100 1HG1 VAL 100 14.659 10.844 7.447 794 HG12 VAL 100 2HG1 VAL 100 13.970 11.802 6.129 795 HG13 VAL 100 3HG1 VAL 100 13.350 10.174 6.450 796 HG21 VAL 100 3HG2 VAL 100 16.917 11.243 6.469 797 HG22 VAL 100 1HG2 VAL 100 17.287 10.700 4.809 798 HG23 VAL 100 2HG2 VAL 100 16.251 12.106 5.082 799 H LYS 101 H LYS 101 17.677 9.379 6.916 800 HA LYS 101 HA LYS 101 17.673 7.432 8.976 801 HB2 LYS 101 2HB LYS 101 19.619 8.713 7.763 802 HB3 LYS 101 3HB LYS 101 19.456 9.853 9.106 803 HG2 LYS 101 2HG LYS 101 19.756 7.909 10.692 804 HG3 LYS 101 3HG LYS 101 19.924 6.835 9.310 805 HD2 LYS 101 2HD LYS 101 21.730 9.264 9.713 806 HD3 LYS 101 3HD LYS 101 22.063 7.746 10.530 807 HE2 LYS 101 2HE LYS 101 21.804 7.981 7.496 808 HE3 LYS 101 3HE LYS 101 23.332 8.126 8.378 809 HZ1 LYS 101 3HZ LYS 101 23.092 5.843 7.691 810 HZ2 LYS 101 1HZ LYS 101 22.899 5.902 9.316 811 HZ3 LYS 101 2HZ LYS 101 21.594 5.728 8.292 812 H SER 102 H SER 102 15.423 9.547 9.087 813 HA SER 102 HA SER 102 15.306 10.094 11.974 814 HB2 SER 102 2HB SER 102 13.088 9.652 9.933 815 HB3 SER 102 3HB SER 102 12.890 10.258 11.589 816 HG SER 102 HG SER 102 12.961 11.971 10.069 817 H GLU 103 H GLU 103 14.844 7.379 9.770 818 HA GLU 103 HA GLU 103 14.071 5.510 11.944 819 HB2 GLU 103 2HB GLU 103 12.867 5.359 9.813 820 HB3 GLU 103 3HB GLU 103 14.389 5.220 8.936 821 HG2 GLU 103 2HG GLU 103 13.315 3.078 9.036 822 HG3 GLU 103 3HG GLU 103 14.812 3.012 9.941 823 H GLY 104 H GLY 104 15.365 3.745 12.492 824 HA2 GLY 104 2HA GLY 104 17.169 2.387 12.729 825 HA3 GLY 104 3HA GLY 104 17.616 2.883 11.102 826 H LYS 105 H LYS 105 17.782 5.576 13.253 827 HA LYS 105 HA LYS 105 20.669 5.717 12.957 828 HB2 LYS 105 2HB LYS 105 19.038 7.658 12.966 829 HB3 LYS 105 3HB LYS 105 18.856 7.434 14.709 830 HG2 LYS 105 2HG LYS 105 21.340 7.775 14.962 831 HG3 LYS 105 3HG LYS 105 21.455 8.066 13.223 832 HD2 LYS 105 2HD LYS 105 19.864 9.733 15.224 833 HD3 LYS 105 3HD LYS 105 21.453 10.143 14.564 834 HE2 LYS 105 2HE LYS 105 20.462 10.165 12.259 835 HE3 LYS 105 3HE LYS 105 18.873 9.850 12.968 836 HZ1 LYS 105 3HZ LYS 105 20.535 12.249 13.527 837 HZ2 LYS 105 1HZ LYS 105 19.204 12.218 12.584 838 HZ3 LYS 105 2HZ LYS 105 19.070 11.950 14.187 839 H ARG 106 H ARG 106 18.457 4.791 15.500 840 HA ARG 106 HA ARG 106 20.415 4.581 17.592 841 HB2 ARG 106 2HB ARG 106 17.985 4.973 17.947 842 HB3 ARG 106 3HB ARG 106 17.643 3.322 17.412 843 HG2 ARG 106 2HG ARG 106 18.959 2.421 19.306 844 HG3 ARG 106 3HG ARG 106 19.370 4.060 19.828 845 HD2 ARG 106 2HD ARG 106 16.543 2.935 19.643 846 HD3 ARG 106 3HD ARG 106 17.514 2.982 21.125 847 HE ARG 106 HE ARG 106 17.491 5.615 20.195 848 HH11 ARG 106 1HH2 ARG 106 15.037 3.372 21.299 849 HH12 ARG 106 2HH2 ARG 106 13.988 4.650 21.850 850 HH21 ARG 106 1HH1 ARG 106 16.103 7.195 20.910 851 HH22 ARG 106 2HH1 ARG 106 14.585 6.755 21.635 852 H LYS 107 H LYS 107 18.995 2.234 15.383 853 HA LYS 107 HA LYS 107 21.316 0.456 15.557 854 HB2 LYS 107 2HB LYS 107 19.858 -0.358 17.416 855 HB3 LYS 107 3HB LYS 107 18.507 -0.505 16.300 856 HG2 LYS 107 2HG LYS 107 19.445 -2.684 16.736 857 HG3 LYS 107 3HG LYS 107 19.728 -2.273 15.045 858 HD2 LYS 107 2HD LYS 107 22.075 -1.647 15.596 859 HD3 LYS 107 3HD LYS 107 21.776 -2.037 17.303 860 HE2 LYS 107 2HE LYS 107 21.293 -4.384 16.688 861 HE3 LYS 107 3HE LYS 107 21.500 -3.989 14.974 862 HZ1 LYS 107 3HZ LYS 107 23.806 -3.359 15.470 863 HZ2 LYS 107 1HZ LYS 107 23.632 -3.819 17.031 864 HZ3 LYS 107 2HZ LYS 107 23.536 -4.936 15.839 865 H GLY 108 H GLY 108 21.772 -0.224 13.548 866 HA2 GLY 108 2HA GLY 108 20.887 -1.276 11.420 867 HA3 GLY 108 3HA GLY 108 19.709 0.060 11.397 868 H ASP 109 H ASP 109 21.656 1.961 12.428 869 HA ASP 109 HA ASP 109 22.747 3.188 10.182 870 HB2 ASP 109 2HB ASP 109 22.285 4.090 12.463 871 HB3 ASP 109 3HB ASP 109 23.690 3.215 13.068 872 H GLU 110 H GLU 110 24.143 0.480 11.906 873 HA GLU 110 HA GLU 110 26.781 0.903 10.930 874 HB2 GLU 110 2HB GLU 110 25.622 -1.836 11.587 875 HB3 GLU 110 3HB GLU 110 27.293 -1.301 11.703 876 HG2 GLU 110 2HG GLU 110 26.818 -1.176 13.904 877 HG3 GLU 110 3HG GLU 110 26.222 0.425 13.495 878 H VAL 111 H VAL 111 24.011 -0.138 9.240 879 HA VAL 111 HA VAL 111 25.632 -0.996 6.884 880 HB VAL 111 HB VAL 111 23.941 -2.685 6.319 881 HG11 VAL 111 1HG1 VAL 111 25.111 -3.161 9.081 882 HG12 VAL 111 2HG1 VAL 111 24.611 -4.382 7.895 883 HG13 VAL 111 3HG1 VAL 111 25.990 -3.325 7.544 884 HG21 VAL 111 3HG2 VAL 111 22.294 -3.466 7.923 885 HG22 VAL 111 1HG2 VAL 111 22.788 -2.240 9.106 886 HG23 VAL 111 2HG2 VAL 111 21.999 -1.753 7.591 887 H ASP 112 H ASP 112 24.059 1.522 7.790 888 HA ASP 112 HA ASP 112 22.419 1.905 5.308 889 HB2 ASP 112 2HB ASP 112 20.995 1.709 7.235 890 HB3 ASP 112 3HB ASP 112 21.942 2.895 8.125 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -6.470 17.800 20.211 2 H2 GLY 1 H2 GLY 1 -5.380 18.275 21.339 3 H3 GLY 1 H3 GLY 1 -5.341 16.745 20.755 4 HA2 GLY 1 2HA GLY 1 -4.776 19.192 19.207 5 HA3 GLY 1 3HA GLY 1 -3.563 18.034 19.781 6 H SER 2 H SER 2 -2.865 17.677 17.615 7 HA SER 2 HA SER 2 -4.636 16.657 15.554 8 HB2 SER 2 2HB SER 2 -2.483 16.305 14.323 9 HB3 SER 2 3HB SER 2 -2.764 17.959 14.886 10 HG SER 2 HG SER 2 -0.634 17.307 15.348 11 H LYS 3 H LYS 3 -4.387 14.614 14.478 12 HA LYS 3 HA LYS 3 -3.573 12.296 16.179 13 HB2 LYS 3 2HB LYS 3 -6.277 12.683 14.826 14 HB3 LYS 3 3HB LYS 3 -5.709 11.164 15.529 15 HG2 LYS 3 2HG LYS 3 -5.468 12.300 17.748 16 HG3 LYS 3 3HG LYS 3 -6.193 13.758 17.059 17 HD2 LYS 3 2HD LYS 3 -7.542 11.028 17.223 18 HD3 LYS 3 3HD LYS 3 -7.798 12.375 18.342 19 HE2 LYS 3 2HE LYS 3 -8.609 13.788 16.453 20 HE3 LYS 3 3HE LYS 3 -8.408 12.419 15.351 21 HZ1 LYS 3 3HZ LYS 3 -10.697 12.587 16.136 22 HZ2 LYS 3 1HZ LYS 3 -10.047 11.195 16.680 23 HZ3 LYS 3 2HZ LYS 3 -10.235 12.461 17.695 24 H ALA 4 H ALA 4 -3.342 10.319 15.066 25 HA ALA 4 HA ALA 4 -2.189 9.092 13.595 26 HB1 ALA 4 1HB ALA 4 -4.102 10.314 11.568 27 HB2 ALA 4 2HB ALA 4 -3.250 8.763 11.420 28 HB3 ALA 4 3HB ALA 4 -4.483 8.975 12.676 29 H GLU 5 H GLU 5 -0.886 11.455 14.191 30 HA GLU 5 HA GLU 5 0.313 12.825 12.020 31 HB2 GLU 5 2HB GLU 5 1.114 12.235 14.886 32 HB3 GLU 5 3HB GLU 5 2.083 13.298 13.860 33 HG2 GLU 5 2HG GLU 5 -0.863 13.778 14.494 34 HG3 GLU 5 3HG GLU 5 0.477 14.471 15.395 35 H LYS 6 H LYS 6 0.948 9.591 13.043 36 HA LYS 6 HA LYS 6 3.689 9.393 12.070 37 HB2 LYS 6 2HB LYS 6 1.638 7.174 12.476 38 HB3 LYS 6 3HB LYS 6 3.377 6.981 12.331 39 HG2 LYS 6 2HG LYS 6 1.828 8.223 14.633 40 HG3 LYS 6 3HG LYS 6 2.754 6.736 14.645 41 HD2 LYS 6 2HD LYS 6 3.852 9.571 14.442 42 HD3 LYS 6 3HD LYS 6 3.937 8.518 15.842 43 HE2 LYS 6 2HE LYS 6 5.297 7.956 13.161 44 HE3 LYS 6 3HE LYS 6 6.073 8.718 14.549 45 HZ1 LYS 6 3HZ LYS 6 5.007 5.947 14.504 46 HZ2 LYS 6 1HZ LYS 6 6.589 6.408 14.550 47 HZ3 LYS 6 2HZ LYS 6 5.636 6.689 15.830 48 H THR 7 H THR 7 0.690 9.555 10.438 49 HA THR 7 HA THR 7 1.774 8.371 7.909 50 HB THR 7 HB THR 7 -1.059 9.184 8.585 51 HG1 THR 7 1HG THR 7 -0.400 7.454 9.865 52 HG21 THR 7 1HG2 THR 7 -0.166 8.714 6.031 53 HG22 THR 7 2HG2 THR 7 -0.567 7.098 6.516 54 HG23 THR 7 3HG2 THR 7 -1.781 8.401 6.596 55 H LEU 8 H LEU 8 1.805 9.632 6.007 56 HA LEU 8 HA LEU 8 1.821 12.534 6.345 57 HB2 LEU 8 2HB LEU 8 2.681 12.734 4.280 58 HB3 LEU 8 3HB LEU 8 3.237 11.126 4.704 59 HG LEU 8 HG LEU 8 0.895 11.839 2.863 60 HD11 LEU 8 1HD1 LEU 8 3.162 12.237 1.927 61 HD12 LEU 8 2HD1 LEU 8 3.576 10.543 2.269 62 HD13 LEU 8 3HD1 LEU 8 2.303 10.929 1.096 63 HD21 LEU 8 3HD2 LEU 8 2.013 9.138 3.671 64 HD22 LEU 8 1HD2 LEU 8 0.369 9.700 3.953 65 HD23 LEU 8 2HD2 LEU 8 0.905 9.399 2.303 66 H GLY 9 H GLY 9 -0.788 10.390 5.737 67 HA2 GLY 9 2HA GLY 9 -3.041 10.961 5.831 68 HA3 GLY 9 3HA GLY 9 -2.666 12.634 5.444 69 H ASP 10 H ASP 10 -1.473 10.037 3.293 70 HA ASP 10 HA ASP 10 -3.570 10.642 1.301 71 HB2 ASP 10 2HB ASP 10 -0.571 10.907 0.859 72 HB3 ASP 10 3HB ASP 10 -1.790 10.966 -0.409 73 H PHE 11 H PHE 11 -1.617 8.207 2.800 74 HA PHE 11 HA PHE 11 -2.811 6.251 1.015 75 HB2 PHE 11 2HB PHE 11 -0.562 5.046 0.699 76 HB3 PHE 11 3HB PHE 11 -1.015 6.350 -0.330 77 HD1 PHE 11 HD2 PHE 11 0.925 6.148 2.950 78 HD2 PHE 11 HD1 PHE 11 0.709 7.577 -1.110 79 HE1 PHE 11 HE2 PHE 11 3.240 7.003 3.114 80 HE2 PHE 11 HE1 PHE 11 2.970 8.555 -0.888 81 HZ PHE 11 HZ PHE 11 4.241 8.249 1.218 82 H ALA 12 H ALA 12 -2.744 4.070 1.747 83 HA ALA 12 HA ALA 12 -2.515 3.770 4.705 84 HB1 ALA 12 1HB ALA 12 -4.784 4.600 4.086 85 HB2 ALA 12 2HB ALA 12 -4.987 3.187 3.035 86 HB3 ALA 12 3HB ALA 12 -4.821 2.966 4.786 87 H ALA 13 H ALA 13 -2.694 1.593 5.497 88 HA ALA 13 HA ALA 13 -2.170 -0.630 3.592 89 HB1 ALA 13 1HB ALA 13 -0.515 0.079 6.063 90 HB2 ALA 13 2HB ALA 13 -0.227 -1.263 4.927 91 HB3 ALA 13 3HB ALA 13 -0.034 0.417 4.393 92 H GLU 14 H GLU 14 -3.210 -2.490 4.137 93 HA GLU 14 HA GLU 14 -3.716 -3.224 6.944 94 HB2 GLU 14 2HB GLU 14 -6.136 -3.585 6.592 95 HB3 GLU 14 3HB GLU 14 -5.685 -1.887 6.544 96 HG2 GLU 14 2HG GLU 14 -5.862 -1.850 4.093 97 HG3 GLU 14 3HG GLU 14 -6.149 -3.593 4.059 98 H TYR 15 H TYR 15 -4.722 -5.530 7.052 99 HA TYR 15 HA TYR 15 -3.841 -7.272 4.856 100 HB2 TYR 15 2HB TYR 15 -5.681 -7.791 7.208 101 HB3 TYR 15 3HB TYR 15 -5.100 -9.003 6.076 102 HD1 TYR 15 HD2 TYR 15 -2.118 -7.453 6.189 103 HD2 TYR 15 HD1 TYR 15 -4.864 -9.314 8.966 104 HE1 TYR 15 HE2 TYR 15 -0.228 -8.091 7.622 105 HE2 TYR 15 HE1 TYR 15 -2.958 -9.889 10.441 106 HH TYR 15 HH TYR 15 -0.714 -9.860 10.710 107 H ALA 16 H ALA 16 -5.005 -8.114 3.238 108 HA ALA 16 HA ALA 16 -7.330 -6.836 2.249 109 HB1 ALA 16 1HB ALA 16 -6.042 -9.475 1.586 110 HB2 ALA 16 2HB ALA 16 -7.259 -8.653 0.579 111 HB3 ALA 16 3HB ALA 16 -5.666 -7.907 0.851 112 H LYS 17 H LYS 17 -9.198 -6.879 3.445 113 HA LYS 17 HA LYS 17 -10.028 -9.048 5.107 114 HB2 LYS 17 2HB LYS 17 -11.751 -6.791 3.994 115 HB3 LYS 17 3HB LYS 17 -12.098 -7.803 5.398 116 HG2 LYS 17 2HG LYS 17 -9.972 -6.882 6.472 117 HG3 LYS 17 3HG LYS 17 -9.887 -5.727 5.129 118 HD2 LYS 17 2HD LYS 17 -12.257 -4.984 5.743 119 HD3 LYS 17 3HD LYS 17 -12.146 -6.051 7.146 120 HE2 LYS 17 2HE LYS 17 -11.571 -3.993 8.053 121 HE3 LYS 17 3HE LYS 17 -9.998 -4.748 7.775 122 HZ1 LYS 17 3HZ LYS 17 -11.296 -2.738 5.998 123 HZ2 LYS 17 1HZ LYS 17 -10.033 -2.447 6.981 124 HZ3 LYS 17 2HZ LYS 17 -9.834 -3.416 5.699 125 H SER 18 H SER 18 -10.766 -8.360 1.764 126 HA SER 18 HA SER 18 -12.092 -10.975 1.394 127 HB2 SER 18 2HB SER 18 -13.403 -8.356 0.532 128 HB3 SER 18 3HB SER 18 -14.003 -9.987 0.198 129 HG SER 18 HG SER 18 -14.246 -10.268 2.483 130 H ASN 19 H ASN 19 -12.112 -11.643 -0.835 131 HA ASN 19 HA ASN 19 -9.898 -10.577 -2.381 132 HB2 ASN 19 2HB ASN 19 -10.382 -13.006 -1.968 133 HB3 ASN 19 3HB ASN 19 -11.810 -12.866 -2.996 134 HD21 ASN 19 2HD2 ASN 19 -8.598 -11.343 -3.702 135 HD22 ASN 19 1HD2 ASN 19 -8.124 -12.581 -4.847 136 H ARG 20 H ARG 20 -12.264 -8.845 -2.131 137 HA ARG 20 HA ARG 20 -13.355 -8.623 -4.896 138 HB2 ARG 20 2HB ARG 20 -14.177 -7.279 -2.299 139 HB3 ARG 20 3HB ARG 20 -14.916 -7.004 -3.885 140 HG2 ARG 20 2HG ARG 20 -15.417 -9.481 -4.027 141 HG3 ARG 20 3HG ARG 20 -14.864 -9.638 -2.344 142 HD2 ARG 20 2HD ARG 20 -16.567 -7.971 -1.650 143 HD3 ARG 20 3HD ARG 20 -17.106 -7.844 -3.341 144 HE ARG 20 HE ARG 20 -17.211 -10.582 -2.580 145 HH11 ARG 20 1HH2 ARG 20 -18.945 -7.635 -1.820 146 HH12 ARG 20 2HH2 ARG 20 -20.415 -8.490 -1.434 147 HH21 ARG 20 1HH1 ARG 20 -19.114 -11.611 -2.071 148 HH22 ARG 20 2HH1 ARG 20 -20.499 -10.683 -1.574 149 H SER 21 H SER 21 -11.003 -7.054 -2.852 150 HA SER 21 HA SER 21 -10.835 -4.600 -4.423 151 HB2 SER 21 2HB SER 21 -8.559 -4.427 -3.273 152 HB3 SER 21 3HB SER 21 -10.003 -4.365 -2.259 153 HG SER 21 HG SER 21 -8.591 -6.794 -2.718 154 H THR 22 H THR 22 -9.220 -4.051 -5.940 155 HA THR 22 HA THR 22 -7.708 -6.282 -7.221 156 HB THR 22 HB THR 22 -9.285 -4.206 -8.733 157 HG1 THR 22 1HG THR 22 -10.698 -5.708 -7.827 158 HG21 THR 22 1HG2 THR 22 -7.945 -6.728 -9.768 159 HG22 THR 22 2HG2 THR 22 -8.860 -5.552 -10.723 160 HG23 THR 22 3HG2 THR 22 -7.322 -5.076 -9.997 161 H CYS 23 HN CYS 23 -5.739 -5.736 -7.889 162 HA CYS 23 HA CYS 23 -4.563 -3.316 -6.894 163 HB2 CYS 23 2HB CYS 23 -3.469 -5.451 -6.769 164 HB3 CYS 23 3HB CYS 23 -3.670 -5.704 -8.503 165 H LYS 24 H LYS 24 -4.731 -1.452 -7.910 166 HA LYS 24 HA LYS 24 -5.120 -1.113 -10.805 167 HB2 LYS 24 2HB LYS 24 -4.682 0.719 -8.434 168 HB3 LYS 24 3HB LYS 24 -4.456 1.339 -10.066 169 HG2 LYS 24 2HG LYS 24 -6.700 1.805 -9.327 170 HG3 LYS 24 3HG LYS 24 -6.713 0.724 -10.713 171 HD2 LYS 24 2HD LYS 24 -7.276 -1.179 -9.297 172 HD3 LYS 24 3HD LYS 24 -7.072 -0.198 -7.826 173 HE2 LYS 24 2HE LYS 24 -8.935 1.266 -8.537 174 HE3 LYS 24 3HE LYS 24 -9.098 0.360 -10.045 175 HZ1 LYS 24 3HZ LYS 24 -9.525 -0.800 -7.340 176 HZ2 LYS 24 1HZ LYS 24 -10.716 -0.358 -8.370 177 HZ3 LYS 24 2HZ LYS 24 -9.723 -1.593 -8.757 178 H GLY 25 H GLY 25 -2.395 -1.773 -8.862 179 HA2 GLY 25 2HA GLY 25 -0.369 -0.455 -10.464 180 HA3 GLY 25 3HA GLY 25 -0.114 -1.732 -9.271 181 H CYS 26 HN CYS 26 -1.690 -3.766 -10.458 182 HA CYS 26 HA CYS 26 -0.435 -4.185 -13.125 183 HB2 CYS 26 2HB CYS 26 0.255 -6.388 -12.638 184 HB3 CYS 26 3HB CYS 26 0.907 -5.325 -11.393 185 H MET 27 H MET 27 -3.388 -4.069 -11.672 186 HA MET 27 HA MET 27 -5.454 -4.620 -12.226 187 HB2 MET 27 2HB MET 27 -4.560 -3.696 -14.492 188 HB3 MET 27 3HB MET 27 -4.680 -5.369 -15.029 189 HG2 MET 27 2HG MET 27 -6.781 -4.741 -15.576 190 HG3 MET 27 3HG MET 27 -7.136 -5.108 -13.895 191 HE1 MET 27 3HE MET 27 -7.195 -1.417 -12.338 192 HE2 MET 27 1HE MET 27 -7.290 -3.153 -11.968 193 HE3 MET 27 2HE MET 27 -5.739 -2.426 -12.458 194 H GLU 28 H GLU 28 -4.400 -6.434 -10.711 195 HA GLU 28 HA GLU 28 -5.850 -8.889 -11.550 196 HB2 GLU 28 2HB GLU 28 -3.069 -8.906 -10.309 197 HB3 GLU 28 3HB GLU 28 -4.161 -10.290 -10.379 198 HG2 GLU 28 2HG GLU 28 -4.214 -10.075 -12.885 199 HG3 GLU 28 3HG GLU 28 -2.993 -8.803 -12.763 200 H LYS 29 H LYS 29 -6.703 -10.112 -9.764 201 HA LYS 29 HA LYS 29 -7.786 -8.306 -7.815 202 HB2 LYS 29 2HB LYS 29 -9.071 -10.180 -6.988 203 HB3 LYS 29 3HB LYS 29 -9.133 -10.091 -8.747 204 HG2 LYS 29 2HG LYS 29 -7.398 -11.920 -8.860 205 HG3 LYS 29 3HG LYS 29 -7.461 -12.028 -7.092 206 HD2 LYS 29 2HD LYS 29 -9.927 -12.546 -7.260 207 HD3 LYS 29 3HD LYS 29 -9.774 -12.491 -9.018 208 HE2 LYS 29 2HE LYS 29 -9.692 -14.779 -8.496 209 HE3 LYS 29 3HE LYS 29 -8.018 -14.332 -8.838 210 HZ1 LYS 29 3HZ LYS 29 -8.229 -15.701 -6.819 211 HZ2 LYS 29 1HZ LYS 29 -7.630 -14.235 -6.412 212 HZ3 LYS 29 2HZ LYS 29 -9.197 -14.579 -6.115 213 H ILE 30 H ILE 30 -7.420 -7.988 -5.729 214 HA ILE 30 HA ILE 30 -4.850 -8.895 -4.643 215 HB ILE 30 HB ILE 30 -6.961 -6.924 -3.794 216 HG12 ILE 30 2HG1 ILE 30 -3.989 -6.552 -4.369 217 HG13 ILE 30 3HG1 ILE 30 -5.217 -6.476 -5.624 218 HG21 ILE 30 1HG2 ILE 30 -6.099 -7.998 -1.698 219 HG22 ILE 30 2HG2 ILE 30 -4.448 -7.541 -2.197 220 HG23 ILE 30 3HG2 ILE 30 -5.689 -6.304 -1.867 221 HD11 ILE 30 3HD1 ILE 30 -6.321 -4.591 -4.477 222 HD12 ILE 30 1HD1 ILE 30 -5.037 -4.605 -3.235 223 HD13 ILE 30 2HD1 ILE 30 -4.642 -4.254 -4.924 224 H GLU 31 H GLU 31 -4.555 -10.625 -3.424 225 HA GLU 31 HA GLU 31 -6.736 -12.422 -2.907 226 HB2 GLU 31 2HB GLU 31 -3.808 -12.591 -2.157 227 HB3 GLU 31 3HB GLU 31 -4.977 -13.907 -2.022 228 HG2 GLU 31 2HG GLU 31 -4.150 -12.536 -4.620 229 HG3 GLU 31 3HG GLU 31 -3.522 -14.059 -4.015 230 H LYS 32 H LYS 32 -7.727 -13.009 -1.102 231 HA LYS 32 HA LYS 32 -7.820 -11.268 1.174 232 HB2 LYS 32 2HB LYS 32 -9.705 -12.694 0.459 233 HB3 LYS 32 3HB LYS 32 -8.789 -14.145 0.898 234 HG2 LYS 32 2HG LYS 32 -8.754 -13.413 3.272 235 HG3 LYS 32 3HG LYS 32 -9.621 -11.927 2.828 236 HD2 LYS 32 2HD LYS 32 -11.549 -13.263 2.101 237 HD3 LYS 32 3HD LYS 32 -10.661 -14.763 2.465 238 HE2 LYS 32 2HE LYS 32 -10.497 -14.095 4.846 239 HE3 LYS 32 3HE LYS 32 -11.362 -12.595 4.497 240 HZ1 LYS 32 3HZ LYS 32 -12.854 -14.294 5.380 241 HZ2 LYS 32 1HZ LYS 32 -13.296 -13.929 3.854 242 HZ3 LYS 32 2HZ LYS 32 -12.497 -15.323 4.166 243 H GLY 33 H GLY 33 -7.013 -11.401 3.184 244 HA2 GLY 33 2HA GLY 33 -5.713 -12.032 4.975 245 HA3 GLY 33 3HA GLY 33 -5.540 -13.627 4.246 246 H GLN 34 H GLN 34 -4.306 -11.157 2.140 247 HA GLN 34 HA GLN 34 -1.658 -11.133 3.474 248 HB2 GLN 34 2HB GLN 34 -0.496 -11.143 1.357 249 HB3 GLN 34 3HB GLN 34 -1.383 -12.624 1.642 250 HG2 GLN 34 2HG GLN 34 -1.586 -12.132 -0.681 251 HG3 GLN 34 3HG GLN 34 -3.158 -11.851 0.039 252 HE21 GLN 34 2HE2 GLN 34 -4.068 -9.779 -0.291 253 HE22 GLN 34 1HE2 GLN 34 -3.062 -8.354 -0.346 254 H VAL 35 H VAL 35 -0.380 -9.102 2.689 255 HA VAL 35 HA VAL 35 -1.927 -6.892 3.630 256 HB VAL 35 HB VAL 35 0.781 -6.928 2.261 257 HG11 VAL 35 1HG1 VAL 35 -0.539 -4.712 3.893 258 HG12 VAL 35 2HG1 VAL 35 1.171 -4.755 3.415 259 HG13 VAL 35 3HG1 VAL 35 -0.067 -4.632 2.177 260 HG21 VAL 35 3HG2 VAL 35 0.745 -8.236 4.349 261 HG22 VAL 35 1HG2 VAL 35 1.667 -6.747 4.550 262 HG23 VAL 35 2HG2 VAL 35 0.020 -6.859 5.202 263 H ARG 36 H ARG 36 -2.782 -5.061 2.655 264 HA ARG 36 HA ARG 36 -2.419 -4.665 -0.238 265 HB2 ARG 36 2HB ARG 36 -4.711 -4.203 -0.715 266 HB3 ARG 36 3HB ARG 36 -4.529 -5.848 -0.093 267 HG2 ARG 36 2HG ARG 36 -5.482 -5.227 2.050 268 HG3 ARG 36 3HG ARG 36 -5.532 -3.525 1.589 269 HD2 ARG 36 2HD ARG 36 -7.110 -4.043 -0.253 270 HD3 ARG 36 3HD ARG 36 -7.078 -5.751 0.204 271 HE ARG 36 HE ARG 36 -7.831 -3.962 2.407 272 HH11 ARG 36 1HH2 ARG 36 -9.275 -5.702 -0.331 273 HH12 ARG 36 2HH2 ARG 36 -10.837 -5.654 0.430 274 HH21 ARG 36 1HH1 ARG 36 -9.748 -3.941 3.207 275 HH22 ARG 36 2HH1 ARG 36 -11.143 -4.612 2.359 276 H LEU 37 H LEU 37 -2.219 -2.601 -0.840 277 HA LEU 37 HA LEU 37 -2.339 -0.513 1.292 278 HB2 LEU 37 2HB LEU 37 -0.553 -0.437 -1.159 279 HB3 LEU 37 3HB LEU 37 -0.578 0.636 0.261 280 HG LEU 37 HG LEU 37 1.364 -0.523 0.447 281 HD11 LEU 37 1HD1 LEU 37 1.223 -1.628 2.536 282 HD12 LEU 37 2HD1 LEU 37 -0.028 -0.366 2.452 283 HD13 LEU 37 3HD1 LEU 37 -0.481 -2.072 2.280 284 HD21 LEU 37 3HD2 LEU 37 1.694 -2.889 0.423 285 HD22 LEU 37 1HD2 LEU 37 -0.021 -3.227 0.168 286 HD23 LEU 37 2HD2 LEU 37 0.912 -2.410 -1.105 287 H SER 38 H SER 38 -2.998 1.626 0.625 288 HA SER 38 HA SER 38 -4.051 1.852 -2.109 289 HB2 SER 38 2HB SER 38 -6.119 2.906 -1.477 290 HB3 SER 38 3HB SER 38 -6.020 1.293 -0.768 291 HG SER 38 HG SER 38 -6.749 2.786 0.771 292 H LYS 39 H LYS 39 -4.193 3.881 -2.961 293 HA LYS 39 HA LYS 39 -2.888 6.154 -1.487 294 HB2 LYS 39 2HB LYS 39 -1.568 5.426 -3.448 295 HB3 LYS 39 3HB LYS 39 -3.011 5.494 -4.457 296 HG2 LYS 39 2HG LYS 39 -1.786 7.402 -5.016 297 HG3 LYS 39 3HG LYS 39 -3.122 7.988 -4.038 298 HD2 LYS 39 2HD LYS 39 -1.489 8.013 -2.058 299 HD3 LYS 39 3HD LYS 39 -0.214 7.640 -3.233 300 HE2 LYS 39 2HE LYS 39 -0.963 9.688 -4.543 301 HE3 LYS 39 3HE LYS 39 -2.042 10.082 -3.190 302 HZ1 LYS 39 3HZ LYS 39 0.916 9.910 -3.128 303 HZ2 LYS 39 1HZ LYS 39 0.031 11.268 -2.957 304 HZ3 LYS 39 2HZ LYS 39 0.003 10.136 -1.771 305 H LYS 40 H LYS 40 -4.100 7.976 -1.223 306 HA LYS 40 HA LYS 40 -6.706 8.228 -2.663 307 HB2 LYS 40 2HB LYS 40 -6.908 8.386 -0.302 308 HB3 LYS 40 3HB LYS 40 -5.622 9.558 -0.162 309 HG2 LYS 40 2HG LYS 40 -8.147 10.110 -1.849 310 HG3 LYS 40 3HG LYS 40 -8.167 10.287 -0.100 311 HD2 LYS 40 2HD LYS 40 -6.576 11.913 -2.088 312 HD3 LYS 40 3HD LYS 40 -7.850 12.445 -0.988 313 HE2 LYS 40 2HE LYS 40 -6.310 11.879 0.950 314 HE3 LYS 40 3HE LYS 40 -5.055 11.504 -0.242 315 HZ1 LYS 40 3HZ LYS 40 -4.641 13.658 0.381 316 HZ2 LYS 40 1HZ LYS 40 -5.362 13.845 -1.055 317 HZ3 LYS 40 2HZ LYS 40 -6.220 14.158 0.313 318 H MET 41 H MET 41 -6.501 9.202 -4.589 319 HA MET 41 HA MET 41 -5.270 11.826 -4.774 320 HB2 MET 41 2HB MET 41 -3.634 11.418 -6.477 321 HB3 MET 41 3HB MET 41 -3.220 10.507 -5.037 322 HG2 MET 41 2HG MET 41 -4.111 8.443 -6.084 323 HG3 MET 41 3HG MET 41 -4.555 9.364 -7.523 324 HE1 MET 41 3HE MET 41 -2.713 6.708 -7.454 325 HE2 MET 41 1HE MET 41 -3.408 7.556 -8.853 326 HE3 MET 41 2HE MET 41 -1.666 7.168 -8.820 327 H VAL 42 H VAL 42 -5.976 13.013 -6.628 328 HA VAL 42 HA VAL 42 -8.093 12.068 -8.225 329 HB VAL 42 HB VAL 42 -5.983 14.125 -9.001 330 HG11 VAL 42 1HG1 VAL 42 -8.761 13.586 -10.130 331 HG12 VAL 42 2HG1 VAL 42 -7.760 15.006 -10.512 332 HG13 VAL 42 3HG1 VAL 42 -7.204 13.400 -10.979 333 HG21 VAL 42 3HG2 VAL 42 -8.718 14.493 -7.698 334 HG22 VAL 42 1HG2 VAL 42 -7.139 14.804 -6.939 335 HG23 VAL 42 2HG2 VAL 42 -7.672 15.798 -8.290 336 H ASP 43 H ASP 43 -8.164 10.630 -9.885 337 HA ASP 43 HA ASP 43 -5.809 9.130 -10.588 338 HB2 ASP 43 2HB ASP 43 -8.021 8.122 -10.496 339 HB3 ASP 43 3HB ASP 43 -8.575 9.141 -11.820 340 HA PRO 44 HA PRO 44 -4.328 11.967 -13.603 341 HB2 PRO 44 2HB PRO 44 -2.306 10.497 -14.781 342 HB3 PRO 44 3HB PRO 44 -2.229 11.151 -13.118 343 HG2 PRO 44 2HG PRO 44 -3.077 8.356 -13.970 344 HG3 PRO 44 3HG PRO 44 -1.875 8.812 -12.713 345 HD2 PRO 44 2HD PRO 44 -4.404 8.203 -12.054 346 HD3 PRO 44 3HD PRO 44 -3.566 9.562 -11.246 347 H GLU 45 H GLU 45 -5.869 9.017 -14.638 348 HA GLU 45 HA GLU 45 -6.001 9.976 -17.476 349 HB2 GLU 45 2HB GLU 45 -6.642 7.252 -16.288 350 HB3 GLU 45 3HB GLU 45 -6.837 7.718 -17.981 351 HG2 GLU 45 2HG GLU 45 -4.378 8.232 -18.085 352 HG3 GLU 45 3HG GLU 45 -4.205 7.592 -16.449 353 H LYS 46 H LYS 46 -7.700 10.108 -14.595 354 HA LYS 46 HA LYS 46 -10.279 10.767 -15.925 355 HB2 LYS 46 2HB LYS 46 -9.963 8.907 -13.543 356 HB3 LYS 46 3HB LYS 46 -11.499 9.542 -14.133 357 HG2 LYS 46 2HG LYS 46 -11.254 8.384 -16.250 358 HG3 LYS 46 3HG LYS 46 -9.666 7.758 -15.793 359 HD2 LYS 46 2HD LYS 46 -12.251 7.228 -14.283 360 HD3 LYS 46 3HD LYS 46 -11.553 6.124 -15.476 361 HE2 LYS 46 2HE LYS 46 -10.357 6.918 -12.782 362 HE3 LYS 46 3HE LYS 46 -11.034 5.352 -13.230 363 HZ1 LYS 46 3HZ LYS 46 -8.515 6.563 -14.245 364 HZ2 LYS 46 1HZ LYS 46 -8.669 5.205 -13.377 365 HZ3 LYS 46 2HZ LYS 46 -9.195 5.216 -14.926 366 HA PRO 47 HA PRO 47 -8.867 13.759 -12.582 367 HB2 PRO 47 2HB PRO 47 -8.635 16.060 -14.069 368 HB3 PRO 47 3HB PRO 47 -7.318 14.873 -13.824 369 HG2 PRO 47 2HG PRO 47 -9.243 15.057 -16.171 370 HG3 PRO 47 3HG PRO 47 -7.452 14.907 -16.214 371 HD2 PRO 47 2HD PRO 47 -9.050 12.751 -16.513 372 HD3 PRO 47 3HD PRO 47 -7.524 12.654 -15.580 373 H GLN 48 H GLN 48 -11.558 13.262 -14.551 374 HA GLN 48 HA GLN 48 -13.181 15.537 -13.619 375 HB2 GLN 48 2HB GLN 48 -13.366 14.508 -15.923 376 HB3 GLN 48 3HB GLN 48 -13.912 13.014 -15.164 377 HG2 GLN 48 2HG GLN 48 -15.812 14.220 -16.035 378 HG3 GLN 48 3HG GLN 48 -15.920 14.181 -14.287 379 HE21 GLN 48 2HE2 GLN 48 -17.519 16.006 -14.804 380 HE22 GLN 48 1HE2 GLN 48 -16.842 17.623 -14.949 381 H LEU 49 H LEU 49 -12.410 12.219 -12.636 382 HA LEU 49 HA LEU 49 -14.772 11.677 -11.134 383 HB2 LEU 49 2HB LEU 49 -13.296 10.131 -12.376 384 HB3 LEU 49 3HB LEU 49 -11.941 10.566 -11.324 385 HG LEU 49 HG LEU 49 -12.931 9.508 -9.442 386 HD11 LEU 49 1HD1 LEU 49 -15.007 8.113 -9.724 387 HD12 LEU 49 2HD1 LEU 49 -15.307 9.853 -9.810 388 HD13 LEU 49 3HD1 LEU 49 -15.258 8.896 -11.312 389 HD21 LEU 49 3HD2 LEU 49 -12.845 7.174 -10.386 390 HD22 LEU 49 1HD2 LEU 49 -12.948 7.879 -12.017 391 HD23 LEU 49 2HD2 LEU 49 -11.547 8.240 -10.983 392 H GLY 50 H GLY 50 -11.820 13.402 -10.400 393 HA2 GLY 50 2HA GLY 50 -11.053 14.401 -8.444 394 HA3 GLY 50 3HA GLY 50 -12.478 13.818 -7.583 395 H MET 51 H MET 51 -10.908 13.364 -5.921 396 HA MET 51 HA MET 51 -8.776 11.576 -6.161 397 HB2 MET 51 2HB MET 51 -10.103 12.138 -3.512 398 HB3 MET 51 3HB MET 51 -8.401 11.900 -3.896 399 HG2 MET 51 2HG MET 51 -8.745 14.153 -5.294 400 HG3 MET 51 3HG MET 51 -10.146 14.339 -4.243 401 HE1 MET 51 3HE MET 51 -6.460 14.968 -4.783 402 HE2 MET 51 1HE MET 51 -5.686 14.574 -3.234 403 HE3 MET 51 2HE MET 51 -6.470 13.295 -4.202 404 H ILE 52 H ILE 52 -8.632 9.403 -6.086 405 HA ILE 52 HA ILE 52 -10.990 7.889 -5.066 406 HB ILE 52 HB ILE 52 -10.395 6.106 -6.671 407 HG12 ILE 52 2HG1 ILE 52 -8.723 8.138 -8.193 408 HG13 ILE 52 3HG1 ILE 52 -7.987 7.010 -7.051 409 HG21 ILE 52 1HG2 ILE 52 -11.536 7.110 -8.532 410 HG22 ILE 52 2HG2 ILE 52 -12.217 7.712 -7.017 411 HG23 ILE 52 3HG2 ILE 52 -11.131 8.749 -7.981 412 HD11 ILE 52 3HD1 ILE 52 -8.951 5.095 -8.261 413 HD12 ILE 52 1HD1 ILE 52 -9.617 6.207 -9.485 414 HD13 ILE 52 2HD1 ILE 52 -7.862 6.070 -9.269 415 H ASP 53 H ASP 53 -10.658 5.798 -4.352 416 HA ASP 53 HA ASP 53 -8.200 5.485 -2.684 417 HB2 ASP 53 2HB ASP 53 -10.890 4.059 -2.607 418 HB3 ASP 53 3HB ASP 53 -9.513 3.681 -1.573 419 H ARG 54 H ARG 54 -6.827 5.004 -4.353 420 HA ARG 54 HA ARG 54 -7.301 2.811 -6.263 421 HB2 ARG 54 2HB ARG 54 -5.917 5.245 -6.216 422 HB3 ARG 54 3HB ARG 54 -4.620 4.076 -6.096 423 HG2 ARG 54 2HG ARG 54 -5.124 3.129 -8.214 424 HG3 ARG 54 3HG ARG 54 -6.740 3.897 -8.268 425 HD2 ARG 54 2HD ARG 54 -5.689 6.124 -8.319 426 HD3 ARG 54 3HD ARG 54 -4.104 5.380 -8.227 427 HE ARG 54 HE ARG 54 -5.891 5.529 -10.581 428 HH11 ARG 54 1HH2 ARG 54 -2.784 4.244 -9.467 429 HH12 ARG 54 2HH2 ARG 54 -2.019 4.723 -10.973 430 HH21 ARG 54 1HH1 ARG 54 -4.983 5.766 -12.409 431 HH22 ARG 54 2HH1 ARG 54 -3.300 5.290 -12.700 432 H TRP 55 H TRP 55 -7.036 0.734 -5.537 433 HA TRP 55 HA TRP 55 -5.196 0.162 -3.307 434 HB2 TRP 55 2HB TRP 55 -7.266 -1.555 -4.692 435 HB3 TRP 55 3HB TRP 55 -6.215 -2.119 -3.406 436 HD1 TRP 55 HD1 TRP 55 -9.292 -0.004 -3.994 437 HE1 TRP 55 HE1 TRP 55 -10.404 0.581 -1.764 438 HE3 TRP 55 HE3 TRP 55 -5.644 -1.683 -0.778 439 HZ2 TRP 55 HZ2 TRP 55 -9.782 0.415 1.040 440 HZ3 TRP 55 HZ3 TRP 55 -5.896 -1.329 1.663 441 HH2 TRP 55 HH2 TRP 55 -7.964 -0.320 2.587 442 H TYR 56 H TYR 56 -3.652 -1.462 -3.289 443 HA TYR 56 HA TYR 56 -2.522 -2.549 -5.798 444 HB2 TYR 56 2HB TYR 56 -1.016 -0.948 -3.692 445 HB3 TYR 56 3HB TYR 56 -0.317 -1.677 -5.136 446 HD1 TYR 56 HD2 TYR 56 -1.210 -0.893 -7.408 447 HD2 TYR 56 HD1 TYR 56 -1.866 1.275 -3.758 448 HE1 TYR 56 HE2 TYR 56 -1.787 1.168 -8.735 449 HE2 TYR 56 HE1 TYR 56 -2.460 3.299 -5.062 450 HH TYR 56 HH TYR 56 -2.646 4.215 -7.108 451 H HIS 57 H HIS 57 -1.025 -4.165 -5.506 452 HA HIS 57 HA HIS 57 -1.066 -5.948 -3.146 453 HB2 HIS 57 2HB HIS 57 0.703 -5.892 -5.607 454 HB3 HIS 57 3HB HIS 57 0.829 -7.097 -4.358 455 HD2 HIS 57 HD2 HIS 57 -1.653 -8.482 -3.853 456 HE1 HIS 57 HE1 HIS 57 -2.732 -8.382 -7.962 457 HE2 HIS 57 HE2 HIS 57 -3.168 -9.523 -5.759 458 HA PRO 58 HA PRO 58 2.566 -4.032 -1.099 459 HB2 PRO 58 2HB PRO 58 3.921 -6.207 -0.105 460 HB3 PRO 58 3HB PRO 58 2.399 -5.571 0.591 461 HG2 PRO 58 2HG PRO 58 2.720 -7.846 -1.398 462 HG3 PRO 58 3HG PRO 58 1.787 -7.841 0.136 463 HD2 PRO 58 2HD PRO 58 0.530 -7.397 -2.186 464 HD3 PRO 58 3HD PRO 58 0.149 -6.379 -0.771 465 H GLY 59 H GLY 59 3.058 -6.323 -3.686 466 HA2 GLY 59 2HA GLY 59 5.880 -5.560 -4.119 467 HA3 GLY 59 3HA GLY 59 4.870 -6.565 -5.163 468 H CYS 60 HN CYS 60 2.675 -4.739 -5.520 469 HA CYS 60 HA CYS 60 3.812 -3.268 -7.716 470 HB2 CYS 60 2HB CYS 60 0.944 -3.456 -6.768 471 HB3 CYS 60 3HB CYS 60 1.506 -2.982 -8.376 472 H PHE 61 H PHE 61 2.246 -2.225 -4.665 473 HA PHE 61 HA PHE 61 2.012 0.507 -5.401 474 HB2 PHE 61 2HB PHE 61 1.334 0.862 -3.301 475 HB3 PHE 61 3HB PHE 61 1.256 -0.895 -3.251 476 HD1 PHE 61 HD1 PHE 61 3.122 -2.193 -2.244 477 HD2 PHE 61 HD2 PHE 61 2.908 2.084 -1.951 478 HE1 PHE 61 HE1 PHE 61 4.680 -2.258 -0.293 479 HE2 PHE 61 HE2 PHE 61 4.418 2.030 0.037 480 HZ PHE 61 HZ PHE 61 5.310 -0.142 0.861 481 H VAL 62 H VAL 62 4.823 -1.285 -4.223 482 HA VAL 62 HA VAL 62 6.703 0.892 -4.175 483 HB VAL 62 HB VAL 62 7.225 -2.057 -4.713 484 HG11 VAL 62 1HG1 VAL 62 9.485 -1.556 -3.812 485 HG12 VAL 62 2HG1 VAL 62 9.165 -0.706 -5.322 486 HG13 VAL 62 3HG1 VAL 62 9.077 0.174 -3.775 487 HG21 VAL 62 3HG2 VAL 62 6.085 -1.855 -2.602 488 HG22 VAL 62 1HG2 VAL 62 7.786 -2.106 -2.263 489 HG23 VAL 62 2HG2 VAL 62 7.092 -0.476 -2.113 490 H LYS 63 H LYS 63 5.709 -1.305 -6.853 491 HA LYS 63 HA LYS 63 7.683 -0.348 -8.734 492 HB2 LYS 63 2HB LYS 63 5.008 -1.742 -9.116 493 HB3 LYS 63 3HB LYS 63 6.088 -1.321 -10.447 494 HG2 LYS 63 2HG LYS 63 7.895 -2.688 -9.368 495 HG3 LYS 63 3HG LYS 63 6.716 -3.257 -8.190 496 HD2 LYS 63 2HD LYS 63 6.564 -3.596 -11.218 497 HD3 LYS 63 3HD LYS 63 7.049 -4.853 -10.092 498 HE2 LYS 63 2HE LYS 63 4.300 -3.528 -10.016 499 HE3 LYS 63 3HE LYS 63 4.647 -4.931 -11.021 500 HZ1 LYS 63 3HZ LYS 63 5.113 -4.952 -8.101 501 HZ2 LYS 63 1HZ LYS 63 3.693 -5.423 -8.761 502 HZ3 LYS 63 2HZ LYS 63 5.077 -6.243 -9.111 503 H ASN 64 H ASN 64 4.432 0.845 -7.936 504 HA ASN 64 HA ASN 64 4.816 3.088 -9.854 505 HB2 ASN 64 2HB ASN 64 2.233 3.388 -9.166 506 HB3 ASN 64 3HB ASN 64 2.842 2.567 -10.581 507 HD21 ASN 64 1HD2 ASN 64 1.454 2.036 -7.333 508 HD22 ASN 64 2HD2 ASN 64 0.920 0.414 -7.763 509 H ARG 65 H ARG 65 5.851 2.690 -6.849 510 HA ARG 65 HA ARG 65 4.845 4.593 -5.197 511 HB2 ARG 65 2HB ARG 65 7.001 4.663 -4.145 512 HB3 ARG 65 3HB ARG 65 6.796 3.054 -4.800 513 HG2 ARG 65 2HG ARG 65 8.131 3.842 -6.853 514 HG3 ARG 65 3HG ARG 65 8.466 5.336 -5.958 515 HD2 ARG 65 2HD ARG 65 9.613 4.141 -4.231 516 HD3 ARG 65 3HD ARG 65 9.170 2.570 -4.919 517 HE ARG 65 HE ARG 65 11.329 4.341 -5.757 518 HH11 ARG 65 1HH2 ARG 65 9.266 1.746 -6.955 519 HH12 ARG 65 2HH2 ARG 65 10.443 1.282 -8.159 520 HH21 ARG 65 1HH1 ARG 65 12.740 3.689 -7.331 521 HH22 ARG 65 2HH1 ARG 65 12.336 2.357 -8.370 522 H GLU 66 H GLU 66 6.789 5.279 -8.030 523 HA GLU 66 HA GLU 66 7.071 8.107 -7.452 524 HB2 GLU 66 2HB GLU 66 8.270 8.170 -9.600 525 HB3 GLU 66 3HB GLU 66 8.884 6.956 -8.468 526 HG2 GLU 66 2HG GLU 66 7.789 5.154 -9.694 527 HG3 GLU 66 3HG GLU 66 7.010 6.309 -10.782 528 H GLU 67 H GLU 67 4.756 6.178 -9.229 529 HA GLU 67 HA GLU 67 3.349 8.472 -10.404 530 HB2 GLU 67 2HB GLU 67 3.219 6.217 -11.423 531 HB3 GLU 67 3HB GLU 67 2.409 5.613 -9.972 532 HG2 GLU 67 2HG GLU 67 0.536 7.169 -10.327 533 HG3 GLU 67 3HG GLU 67 1.348 7.856 -11.735 534 H LEU 68 H LEU 68 3.127 6.345 -7.519 535 HA LEU 68 HA LEU 68 0.924 7.774 -6.298 536 HB2 LEU 68 2HB LEU 68 2.995 5.985 -4.996 537 HB3 LEU 68 3HB LEU 68 1.433 6.429 -4.327 538 HG LEU 68 HG LEU 68 2.031 4.571 -6.644 539 HD11 LEU 68 1HD1 LEU 68 2.228 3.589 -4.436 540 HD12 LEU 68 2HD1 LEU 68 0.594 4.155 -4.012 541 HD13 LEU 68 3HD1 LEU 68 0.818 2.936 -5.281 542 HD21 LEU 68 3HD2 LEU 68 -0.243 4.234 -7.055 543 HD22 LEU 68 1HD2 LEU 68 -0.743 5.388 -5.789 544 HD23 LEU 68 2HD2 LEU 68 0.062 5.944 -7.280 545 H GLY 69 H GLY 69 4.292 8.568 -6.452 546 HA2 GLY 69 2HA GLY 69 5.096 10.733 -6.081 547 HA3 GLY 69 3HA GLY 69 3.678 11.124 -5.111 548 H PHE 70 H PHE 70 5.473 8.222 -4.300 549 HA PHE 70 HA PHE 70 6.025 8.994 -1.605 550 HB2 PHE 70 2HB PHE 70 6.926 6.760 -3.410 551 HB3 PHE 70 3HB PHE 70 7.698 6.987 -1.860 552 HD1 PHE 70 HD1 PHE 70 4.454 6.156 -3.462 553 HD2 PHE 70 HD2 PHE 70 6.626 6.480 0.217 554 HE1 PHE 70 HE1 PHE 70 2.737 4.754 -2.336 555 HE2 PHE 70 HE2 PHE 70 4.942 5.046 1.350 556 HZ PHE 70 HZ PHE 70 2.996 4.179 0.066 557 H ARG 71 H ARG 71 7.726 9.912 -0.613 558 HA ARG 71 HA ARG 71 10.354 10.174 -1.968 559 HB2 ARG 71 2HB ARG 71 8.928 12.241 -0.235 560 HB3 ARG 71 3HB ARG 71 10.628 12.334 -0.675 561 HG2 ARG 71 2HG ARG 71 10.046 12.419 -3.076 562 HG3 ARG 71 3HG ARG 71 8.316 12.364 -2.666 563 HD2 ARG 71 2HD ARG 71 8.524 14.430 -1.368 564 HD3 ARG 71 3HD ARG 71 10.259 14.473 -1.653 565 HE ARG 71 HE ARG 71 9.925 14.976 -3.965 566 HH11 ARG 71 1HH2 ARG 71 6.852 15.067 -2.256 567 HH12 ARG 71 2HH2 ARG 71 6.150 16.147 -3.432 568 HH21 ARG 71 1HH1 ARG 71 8.934 16.286 -5.435 569 HH22 ARG 71 2HH1 ARG 71 7.286 16.784 -5.192 570 HA PRO 72 HA PRO 72 12.103 8.087 1.421 571 HB2 PRO 72 2HB PRO 72 14.109 10.312 1.775 572 HB3 PRO 72 3HB PRO 72 14.391 8.551 1.623 573 HG2 PRO 72 2HG PRO 72 14.802 10.172 -0.505 574 HG3 PRO 72 3HG PRO 72 13.939 8.614 -0.735 575 HD2 PRO 72 2HD PRO 72 12.742 11.391 -0.432 576 HD3 PRO 72 3HD PRO 72 12.360 10.119 -1.626 577 H GLU 73 H GLU 73 11.451 11.506 2.143 578 HA GLU 73 HA GLU 73 11.581 11.178 5.025 579 HB2 GLU 73 2HB GLU 73 10.771 13.447 5.131 580 HB3 GLU 73 3HB GLU 73 12.073 13.298 3.954 581 HG2 GLU 73 2HG GLU 73 10.358 13.239 2.111 582 HG3 GLU 73 3HG GLU 73 9.102 13.475 3.328 583 H TYR 74 H TYR 74 9.268 10.049 2.839 584 HA TYR 74 HA TYR 74 7.482 9.396 5.045 585 HB2 TYR 74 2HB TYR 74 5.437 10.173 3.821 586 HB3 TYR 74 3HB TYR 74 6.440 11.393 4.544 587 HD1 TYR 74 HD1 TYR 74 6.041 9.722 1.165 588 HD2 TYR 74 HD2 TYR 74 6.791 13.353 3.361 589 HE1 TYR 74 HE1 TYR 74 5.839 11.036 -0.919 590 HE2 TYR 74 HE2 TYR 74 6.690 14.649 1.231 591 HH TYR 74 HH TYR 74 5.826 13.039 -1.871 592 H SER 75 H SER 75 9.185 7.652 3.756 593 HA SER 75 HA SER 75 7.893 6.027 1.789 594 HB2 SER 75 2HB SER 75 10.006 5.305 3.813 595 HB3 SER 75 3HB SER 75 9.570 4.382 2.362 596 HG SER 75 HG SER 75 11.339 5.690 1.899 597 H ALA 76 H ALA 76 7.878 3.424 2.757 598 HA ALA 76 HA ALA 76 5.223 3.114 3.239 599 HB1 ALA 76 1HB ALA 76 5.754 0.779 3.751 600 HB2 ALA 76 2HB ALA 76 6.790 1.377 2.443 601 HB3 ALA 76 3HB ALA 76 7.444 1.207 4.089 602 H SER 77 H SER 77 7.424 3.828 5.892 603 HA SER 77 HA SER 77 5.798 2.868 8.051 604 HB2 SER 77 2HB SER 77 7.677 5.262 8.006 605 HB3 SER 77 3HB SER 77 7.117 4.379 9.439 606 HG SER 77 HG SER 77 9.220 3.730 8.755 607 H GLN 78 H GLN 78 5.472 5.685 5.945 608 HA GLN 78 HA GLN 78 3.585 7.016 7.698 609 HB2 GLN 78 2HB GLN 78 5.091 7.754 5.196 610 HB3 GLN 78 3HB GLN 78 3.671 8.676 5.630 611 HG2 GLN 78 2HG GLN 78 5.684 9.760 6.456 612 HG3 GLN 78 3HG GLN 78 4.574 9.346 7.738 613 HE21 GLN 78 2HE2 GLN 78 5.277 7.958 9.402 614 HE22 GLN 78 1HE2 GLN 78 6.945 7.374 9.477 615 H LEU 79 H LEU 79 2.902 4.376 6.324 616 HA LEU 79 HA LEU 79 0.402 5.166 4.902 617 HB2 LEU 79 2HB LEU 79 1.686 2.497 5.569 618 HB3 LEU 79 3HB LEU 79 0.115 2.661 4.800 619 HG LEU 79 HG LEU 79 2.540 3.894 3.477 620 HD11 LEU 79 1HD1 LEU 79 2.991 1.861 2.230 621 HD12 LEU 79 2HD1 LEU 79 3.176 1.506 3.953 622 HD13 LEU 79 3HD1 LEU 79 1.727 0.982 3.103 623 HD21 LEU 79 3HD2 LEU 79 0.136 2.472 2.279 624 HD22 LEU 79 1HD2 LEU 79 0.146 4.188 2.685 625 HD23 LEU 79 2HD2 LEU 79 1.279 3.565 1.475 626 H LYS 80 H LYS 80 -1.551 5.233 5.872 627 HA LYS 80 HA LYS 80 -1.957 5.060 8.666 628 HB2 LYS 80 2HB LYS 80 -4.066 4.516 6.526 629 HB3 LYS 80 3HB LYS 80 -4.363 4.911 8.220 630 HG2 LYS 80 2HG LYS 80 -3.149 7.085 7.841 631 HG3 LYS 80 3HG LYS 80 -3.143 6.704 6.104 632 HD2 LYS 80 2HD LYS 80 -5.604 7.045 7.882 633 HD3 LYS 80 3HD LYS 80 -4.962 8.260 6.771 634 HE2 LYS 80 2HE LYS 80 -5.371 6.739 4.852 635 HE3 LYS 80 3HE LYS 80 -6.026 5.519 5.957 636 HZ1 LYS 80 3HZ LYS 80 -7.780 7.100 6.561 637 HZ2 LYS 80 1HZ LYS 80 -7.181 8.227 5.541 638 HZ3 LYS 80 2HZ LYS 80 -7.800 6.838 4.951 639 H GLY 81 H GLY 81 -2.253 3.411 10.072 640 HA2 GLY 81 2HA GLY 81 -2.740 1.309 10.915 641 HA3 GLY 81 3HA GLY 81 -3.455 0.879 9.360 642 H PHE 82 H PHE 82 -0.200 1.836 8.858 643 HA PHE 82 HA PHE 82 0.797 -0.717 8.111 644 HB2 PHE 82 2HB PHE 82 1.885 1.179 7.269 645 HB3 PHE 82 3HB PHE 82 1.974 1.973 8.832 646 HD1 PHE 82 HD2 PHE 82 3.708 1.515 10.442 647 HD2 PHE 82 HD1 PHE 82 3.677 -0.398 6.576 648 HE1 PHE 82 HE2 PHE 82 6.091 0.877 10.738 649 HE2 PHE 82 HE1 PHE 82 6.068 -1.001 6.868 650 HZ PHE 82 HZ PHE 82 7.266 -0.388 8.947 651 H SER 83 H SER 83 0.994 1.067 11.186 652 HA SER 83 HA SER 83 2.712 -0.651 12.633 653 HB2 SER 83 2HB SER 83 1.744 0.536 14.598 654 HB3 SER 83 3HB SER 83 2.214 1.632 13.279 655 HG SER 83 HG SER 83 0.125 2.118 14.137 656 H LEU 84 H LEU 84 -0.656 -1.084 11.826 657 HA LEU 84 HA LEU 84 -1.221 -2.971 14.007 658 HB2 LEU 84 2HB LEU 84 -2.928 -2.158 11.628 659 HB3 LEU 84 3HB LEU 84 -3.469 -3.011 13.067 660 HG LEU 84 HG LEU 84 -2.474 -0.125 12.980 661 HD11 LEU 84 1HD1 LEU 84 -4.805 0.440 13.463 662 HD12 LEU 84 2HD1 LEU 84 -4.685 -0.470 11.947 663 HD13 LEU 84 3HD1 LEU 84 -5.254 -1.280 13.423 664 HD21 LEU 84 3HD2 LEU 84 -3.598 -1.755 15.303 665 HD22 LEU 84 1HD2 LEU 84 -1.942 -1.116 15.164 666 HD23 LEU 84 2HD2 LEU 84 -3.301 -0.001 15.318 667 H LEU 85 H LEU 85 0.257 -3.264 10.970 668 HA LEU 85 HA LEU 85 -0.625 -5.983 10.308 669 HB2 LEU 85 2HB LEU 85 1.864 -4.456 9.490 670 HB3 LEU 85 3HB LEU 85 1.262 -5.915 8.726 671 HG LEU 85 HG LEU 85 -0.232 -3.249 8.713 672 HD11 LEU 85 1HD1 LEU 85 1.490 -4.560 6.571 673 HD12 LEU 85 2HD1 LEU 85 0.534 -3.072 6.383 674 HD13 LEU 85 3HD1 LEU 85 1.909 -3.102 7.498 675 HD21 LEU 85 3HD2 LEU 85 -1.520 -4.226 6.898 676 HD22 LEU 85 1HD2 LEU 85 -0.644 -5.754 7.076 677 HD23 LEU 85 2HD2 LEU 85 -1.715 -5.183 8.379 678 H ALA 86 H ALA 86 1.007 -7.819 10.287 679 HA ALA 86 HA ALA 86 2.350 -8.243 12.798 680 HB1 ALA 86 1HB ALA 86 2.528 -9.641 10.098 681 HB2 ALA 86 2HB ALA 86 3.303 -10.230 11.590 682 HB3 ALA 86 3HB ALA 86 1.539 -10.115 11.496 683 H THR 87 H THR 87 4.546 -8.207 13.313 684 HA THR 87 HA THR 87 6.060 -6.040 12.424 685 HB THR 87 HB THR 87 7.147 -8.562 13.699 686 HG1 THR 87 1HG THR 87 6.576 -7.553 15.639 687 HG21 THR 87 1HG2 THR 87 8.029 -5.638 13.886 688 HG22 THR 87 2HG2 THR 87 8.695 -6.973 14.855 689 HG23 THR 87 3HG2 THR 87 8.930 -6.955 13.104 690 H GLU 88 H GLU 88 6.266 -9.424 11.279 691 HA GLU 88 HA GLU 88 8.591 -9.041 9.638 692 HB2 GLU 88 2HB GLU 88 8.006 -11.141 8.608 693 HB3 GLU 88 3HB GLU 88 7.828 -11.237 10.358 694 HG2 GLU 88 2HG GLU 88 5.340 -10.926 10.077 695 HG3 GLU 88 3HG GLU 88 5.569 -10.960 8.327 696 H ASP 89 H ASP 89 5.183 -8.265 9.043 697 HA ASP 89 HA ASP 89 5.653 -7.724 6.176 698 HB2 ASP 89 2HB ASP 89 3.246 -7.346 7.984 699 HB3 ASP 89 3HB ASP 89 3.310 -6.779 6.319 700 H LYS 90 H LYS 90 5.308 -5.844 9.203 701 HA LYS 90 HA LYS 90 5.630 -3.224 8.047 702 HB2 LYS 90 2HB LYS 90 6.263 -4.409 10.774 703 HB3 LYS 90 3HB LYS 90 6.604 -2.716 10.407 704 HG2 LYS 90 2HG LYS 90 4.415 -2.093 10.348 705 HG3 LYS 90 3HG LYS 90 3.882 -3.603 9.629 706 HD2 LYS 90 2HD LYS 90 2.886 -3.447 11.773 707 HD3 LYS 90 3HD LYS 90 4.078 -4.740 11.820 708 HE2 LYS 90 2HE LYS 90 5.662 -3.271 13.006 709 HE3 LYS 90 3HE LYS 90 4.522 -1.921 12.872 710 HZ1 LYS 90 3HZ LYS 90 2.940 -3.184 14.220 711 HZ2 LYS 90 1HZ LYS 90 3.965 -4.453 14.334 712 HZ3 LYS 90 2HZ LYS 90 4.347 -3.031 15.044 713 H GLU 91 H GLU 91 8.079 -5.587 9.131 714 HA GLU 91 HA GLU 91 10.365 -4.008 8.328 715 HB2 GLU 91 2HB GLU 91 9.927 -6.988 8.727 716 HB3 GLU 91 3HB GLU 91 11.484 -6.314 8.253 717 HG2 GLU 91 2HG GLU 91 10.000 -5.444 10.767 718 HG3 GLU 91 3HG GLU 91 11.173 -6.756 10.727 719 H ALA 92 H ALA 92 8.564 -6.618 6.559 720 HA ALA 92 HA ALA 92 10.160 -6.526 4.244 721 HB1 ALA 92 1HB ALA 92 8.599 -8.326 4.778 722 HB2 ALA 92 2HB ALA 92 7.219 -7.230 4.525 723 HB3 ALA 92 3HB ALA 92 8.273 -7.669 3.162 724 H LEU 93 H LEU 93 7.248 -4.530 4.960 725 HA LEU 93 HA LEU 93 7.073 -3.288 2.379 726 HB2 LEU 93 2HB LEU 93 6.187 -2.474 5.167 727 HB3 LEU 93 3HB LEU 93 5.824 -1.504 3.743 728 HG LEU 93 HG LEU 93 4.922 -4.399 4.051 729 HD11 LEU 93 1HD1 LEU 93 2.720 -3.435 4.581 730 HD12 LEU 93 2HD1 LEU 93 3.922 -2.948 5.782 731 HD13 LEU 93 3HD1 LEU 93 3.405 -1.796 4.526 732 HD21 LEU 93 3HD2 LEU 93 5.010 -3.646 1.712 733 HD22 LEU 93 1HD2 LEU 93 3.340 -3.814 2.262 734 HD23 LEU 93 2HD2 LEU 93 4.064 -2.197 2.138 735 H LYS 94 H LYS 94 8.824 -2.288 5.361 736 HA LYS 94 HA LYS 94 10.016 0.078 4.182 737 HB2 LYS 94 2HB LYS 94 10.881 -1.692 6.493 738 HB3 LYS 94 3HB LYS 94 11.659 -0.164 6.070 739 HG2 LYS 94 2HG LYS 94 9.574 1.076 6.484 740 HG3 LYS 94 3HG LYS 94 8.734 -0.417 6.901 741 HD2 LYS 94 2HD LYS 94 11.113 0.783 8.389 742 HD3 LYS 94 3HD LYS 94 9.426 0.812 8.923 743 HE2 LYS 94 2HE LYS 94 9.408 -1.673 9.028 744 HE3 LYS 94 3HE LYS 94 11.084 -1.711 8.477 745 HZ1 LYS 94 3HZ LYS 94 10.135 -0.652 11.067 746 HZ2 LYS 94 1HZ LYS 94 11.116 -1.952 10.777 747 HZ3 LYS 94 2HZ LYS 94 11.664 -0.436 10.505 748 H LYS 95 H LYS 95 11.085 -3.331 4.432 749 HA LYS 95 HA LYS 95 13.674 -2.861 3.337 750 HB2 LYS 95 2HB LYS 95 11.997 -5.363 3.615 751 HB3 LYS 95 3HB LYS 95 13.599 -5.404 2.869 752 HG2 LYS 95 2HG LYS 95 14.672 -4.538 4.843 753 HG3 LYS 95 3HG LYS 95 13.131 -4.205 5.632 754 HD2 LYS 95 2HD LYS 95 12.626 -6.652 5.660 755 HD3 LYS 95 3HD LYS 95 14.217 -6.964 4.928 756 HE2 LYS 95 2HE LYS 95 15.302 -5.806 6.866 757 HE3 LYS 95 3HE LYS 95 13.712 -5.556 7.596 758 HZ1 LYS 95 3HZ LYS 95 14.776 -7.509 8.522 759 HZ2 LYS 95 1HZ LYS 95 13.465 -7.999 7.682 760 HZ3 LYS 95 2HZ LYS 95 14.962 -8.199 7.053 761 H GLN 96 H GLN 96 10.663 -3.059 1.665 762 HA GLN 96 HA GLN 96 12.030 -3.146 -0.985 763 HB2 GLN 96 2HB GLN 96 9.085 -3.207 -0.240 764 HB3 GLN 96 3HB GLN 96 9.719 -3.243 -1.885 765 HG2 GLN 96 2HG GLN 96 10.277 -5.374 0.224 766 HG3 GLN 96 3HG GLN 96 9.045 -5.480 -1.020 767 HE21 GLN 96 2HE2 GLN 96 10.898 -7.507 -0.881 768 HE22 GLN 96 1HE2 GLN 96 11.991 -7.377 -2.253 769 H LEU 97 H LEU 97 10.202 -0.932 1.136 770 HA LEU 97 HA LEU 97 11.159 1.346 -0.510 771 HB2 LEU 97 2HB LEU 97 8.930 0.792 -1.267 772 HB3 LEU 97 3HB LEU 97 8.294 0.849 0.374 773 HG LEU 97 HG LEU 97 8.570 3.253 0.483 774 HD11 LEU 97 1HD1 LEU 97 10.017 3.011 -2.182 775 HD12 LEU 97 2HD1 LEU 97 9.438 4.546 -1.479 776 HD13 LEU 97 3HD1 LEU 97 10.684 3.615 -0.646 777 HD21 LEU 97 3HD2 LEU 97 7.126 3.933 -1.389 778 HD22 LEU 97 1HD2 LEU 97 7.476 2.409 -2.229 779 HD23 LEU 97 2HD2 LEU 97 6.605 2.400 -0.681 780 HA PRO 98 HA PRO 98 11.821 2.143 3.954 781 HB2 PRO 98 2HB PRO 98 14.564 2.427 3.953 782 HB3 PRO 98 3HB PRO 98 13.710 0.869 4.064 783 HG2 PRO 98 2HG PRO 98 15.203 2.006 1.760 784 HG3 PRO 98 3HG PRO 98 14.752 0.306 2.106 785 HD2 PRO 98 2HD PRO 98 13.450 2.190 0.329 786 HD3 PRO 98 3HD PRO 98 13.044 0.482 0.649 787 H GLY 99 H GLY 99 12.299 4.105 5.131 788 HA2 GLY 99 2HA GLY 99 13.225 6.488 3.588 789 HA3 GLY 99 3HA GLY 99 11.746 6.514 4.541 790 H VAL 100 H VAL 100 12.840 8.324 5.426 791 HA VAL 100 HA VAL 100 15.199 8.207 7.043 792 HB VAL 100 HB VAL 100 12.930 10.236 7.013 793 HG11 VAL 100 1HG1 VAL 100 15.740 10.458 8.193 794 HG12 VAL 100 2HG1 VAL 100 14.591 11.799 8.004 795 HG13 VAL 100 3HG1 VAL 100 14.212 10.482 9.104 796 HG21 VAL 100 3HG2 VAL 100 14.476 11.580 5.631 797 HG22 VAL 100 1HG2 VAL 100 15.669 10.263 5.662 798 HG23 VAL 100 2HG2 VAL 100 14.116 10.050 4.834 799 H LYS 101 H LYS 101 15.522 7.792 9.093 800 HA LYS 101 HA LYS 101 13.293 6.723 10.783 801 HB2 LYS 101 2HB LYS 101 16.241 6.015 10.615 802 HB3 LYS 101 3HB LYS 101 15.152 5.379 11.861 803 HG2 LYS 101 2HG LYS 101 13.762 4.271 10.281 804 HG3 LYS 101 3HG LYS 101 14.519 5.096 8.912 805 HD2 LYS 101 2HD LYS 101 16.726 3.926 9.617 806 HD3 LYS 101 3HD LYS 101 15.710 2.926 10.664 807 HE2 LYS 101 2HE LYS 101 15.996 1.712 8.628 808 HE3 LYS 101 3HE LYS 101 14.335 2.314 8.621 809 HZ1 LYS 101 3HZ LYS 101 16.618 3.575 7.178 810 HZ2 LYS 101 1HZ LYS 101 15.465 2.663 6.477 811 HZ3 LYS 101 2HZ LYS 101 15.074 4.118 7.119 812 H SER 102 H SER 102 13.147 9.247 11.040 813 HA SER 102 HA SER 102 14.819 10.655 12.805 814 HB2 SER 102 2HB SER 102 11.801 10.895 12.504 815 HB3 SER 102 3HB SER 102 12.896 12.130 13.160 816 HG SER 102 HG SER 102 12.417 12.509 10.958 817 H GLU 103 H GLU 103 12.438 8.190 13.622 818 HA GLU 103 HA GLU 103 12.350 8.792 16.483 819 HB2 GLU 103 2HB GLU 103 11.498 6.364 14.844 820 HB3 GLU 103 3HB GLU 103 11.228 6.553 16.582 821 HG2 GLU 103 2HG GLU 103 9.944 8.652 16.140 822 HG3 GLU 103 3HG GLU 103 10.101 8.355 14.406 823 H GLY 104 H GLY 104 14.388 6.737 14.440 824 HA2 GLY 104 2HA GLY 104 16.246 5.491 14.870 825 HA3 GLY 104 3HA GLY 104 16.448 6.489 16.314 826 H LYS 105 H LYS 105 13.636 4.364 15.999 827 HA LYS 105 HA LYS 105 14.339 3.137 18.574 828 HB2 LYS 105 2HB LYS 105 11.863 3.062 16.807 829 HB3 LYS 105 3HB LYS 105 11.988 2.173 18.328 830 HG2 LYS 105 2HG LYS 105 12.291 4.203 19.610 831 HG3 LYS 105 3HG LYS 105 12.374 5.181 18.139 832 HD2 LYS 105 2HD LYS 105 10.049 4.558 17.566 833 HD3 LYS 105 3HD LYS 105 9.937 3.595 19.055 834 HE2 LYS 105 2HE LYS 105 10.255 5.571 20.437 835 HE3 LYS 105 3HE LYS 105 10.631 6.564 19.021 836 HZ1 LYS 105 3HZ LYS 105 8.328 6.872 19.753 837 HZ2 LYS 105 1HZ LYS 105 8.377 6.267 18.233 838 HZ3 LYS 105 2HZ LYS 105 7.991 5.291 19.500 839 H ARG 106 H ARG 106 14.508 2.049 15.287 840 HA ARG 106 HA ARG 106 13.882 -0.693 15.891 841 HB2 ARG 106 2HB ARG 106 13.334 0.569 13.794 842 HB3 ARG 106 3HB ARG 106 15.010 0.397 13.280 843 HG2 ARG 106 2HG ARG 106 13.534 -2.103 14.119 844 HG3 ARG 106 3HG ARG 106 12.990 -1.324 12.641 845 HD2 ARG 106 2HD ARG 106 15.094 -1.564 11.562 846 HD3 ARG 106 3HD ARG 106 15.918 -2.018 13.044 847 HE ARG 106 HE ARG 106 14.138 -3.728 11.391 848 HH11 ARG 106 1HH2 ARG 106 15.809 -3.565 14.501 849 HH12 ARG 106 2HH2 ARG 106 15.874 -5.306 14.610 850 HH21 ARG 106 1HH1 ARG 106 14.224 -5.797 11.615 851 HH22 ARG 106 2HH1 ARG 106 14.973 -6.580 13.011 852 H LYS 107 H LYS 107 16.880 0.926 16.029 853 HA LYS 107 HA LYS 107 18.253 -1.599 16.750 854 HB2 LYS 107 2HB LYS 107 19.177 0.352 14.603 855 HB3 LYS 107 3HB LYS 107 20.343 -0.594 15.496 856 HG2 LYS 107 2HG LYS 107 18.093 -1.742 13.795 857 HG3 LYS 107 3HG LYS 107 19.769 -1.583 13.310 858 HD2 LYS 107 2HD LYS 107 18.731 -3.393 15.538 859 HD3 LYS 107 3HD LYS 107 19.279 -3.883 13.935 860 HE2 LYS 107 2HE LYS 107 21.550 -2.961 14.436 861 HE3 LYS 107 3HE LYS 107 21.006 -2.541 16.064 862 HZ1 LYS 107 3HZ LYS 107 22.147 -4.610 16.121 863 HZ2 LYS 107 1HZ LYS 107 20.596 -4.927 16.469 864 HZ3 LYS 107 2HZ LYS 107 21.180 -5.294 14.975 865 H GLY 108 H GLY 108 19.740 -1.419 18.320 866 HA2 GLY 108 2HA GLY 108 19.897 1.108 19.849 867 HA3 GLY 108 3HA GLY 108 20.362 -0.500 20.392 868 H ASP 109 H ASP 109 21.641 0.419 17.302 869 HA ASP 109 HA ASP 109 23.734 0.491 16.531 870 HB2 ASP 109 2HB ASP 109 23.450 2.804 17.427 871 HB3 ASP 109 3HB ASP 109 24.356 2.323 18.860 872 H GLU 110 H GLU 110 23.158 -1.726 18.165 873 HA GLU 110 HA GLU 110 25.898 -2.714 18.771 874 HB2 GLU 110 2HB GLU 110 23.453 -3.032 20.573 875 HB3 GLU 110 3HB GLU 110 24.937 -3.974 20.726 876 HG2 GLU 110 2HG GLU 110 26.230 -1.855 21.048 877 HG3 GLU 110 3HG GLU 110 24.706 -0.964 21.078 878 H VAL 111 H VAL 111 25.743 -5.220 19.070 879 HA VAL 111 HA VAL 111 24.633 -6.295 16.622 880 HB VAL 111 HB VAL 111 25.684 -8.410 17.294 881 HG11 VAL 111 1HG1 VAL 111 27.000 -6.664 16.144 882 HG12 VAL 111 2HG1 VAL 111 27.532 -6.029 17.717 883 HG13 VAL 111 3HG1 VAL 111 27.988 -7.669 17.217 884 HG21 VAL 111 3HG2 VAL 111 26.541 -6.975 19.850 885 HG22 VAL 111 1HG2 VAL 111 25.345 -8.287 19.757 886 HG23 VAL 111 2HG2 VAL 111 27.031 -8.594 19.319 887 H ASP 112 H ASP 112 22.988 -5.698 19.347 888 HA ASP 112 HA ASP 112 21.445 -8.128 19.740 889 HB2 ASP 112 2HB ASP 112 21.868 -6.502 21.532 890 HB3 ASP 112 3HB ASP 112 20.968 -5.271 20.654 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 5.873 25.737 12.391 2 H2 GLY 1 H2 GLY 1 4.430 25.025 12.707 3 H3 GLY 1 H3 GLY 1 4.947 25.177 11.161 4 HA2 GLY 1 2HA GLY 1 6.779 23.673 11.549 5 HA3 GLY 1 3HA GLY 1 6.240 23.521 13.231 6 H SER 2 H SER 2 6.545 21.411 11.229 7 HA SER 2 HA SER 2 4.048 20.558 10.157 8 HB2 SER 2 2HB SER 2 6.471 18.888 10.919 9 HB3 SER 2 3HB SER 2 5.161 18.404 9.824 10 HG SER 2 HG SER 2 6.990 19.218 8.687 11 H LYS 3 H LYS 3 2.665 18.861 10.743 12 HA LYS 3 HA LYS 3 2.509 18.176 13.658 13 HB2 LYS 3 2HB LYS 3 0.225 18.686 11.710 14 HB3 LYS 3 3HB LYS 3 0.041 18.198 13.385 15 HG2 LYS 3 2HG LYS 3 1.210 20.837 12.391 16 HG3 LYS 3 3HG LYS 3 -0.395 20.598 13.055 17 HD2 LYS 3 2HD LYS 3 2.212 20.256 14.601 18 HD3 LYS 3 3HD LYS 3 1.133 21.650 14.662 19 HE2 LYS 3 2HE LYS 3 -0.708 20.190 15.500 20 HE3 LYS 3 3HE LYS 3 0.395 18.809 15.499 21 HZ1 LYS 3 3HZ LYS 3 0.749 21.272 17.124 22 HZ2 LYS 3 1HZ LYS 3 0.261 19.826 17.697 23 HZ3 LYS 3 2HZ LYS 3 1.778 20.002 17.122 24 H ALA 4 H ALA 4 1.724 16.215 14.237 25 HA ALA 4 HA ALA 4 1.648 13.999 14.320 26 HB1 ALA 4 1HB ALA 4 0.519 14.089 11.507 27 HB2 ALA 4 2HB ALA 4 0.344 12.782 12.692 28 HB3 ALA 4 3HB ALA 4 -0.402 14.358 13.005 29 H GLU 5 H GLU 5 2.446 11.934 13.677 30 HA GLU 5 HA GLU 5 4.950 11.987 12.032 31 HB2 GLU 5 2HB GLU 5 6.090 10.809 13.754 32 HB3 GLU 5 3HB GLU 5 5.381 12.246 14.469 33 HG2 GLU 5 2HG GLU 5 4.222 9.424 14.703 34 HG3 GLU 5 3HG GLU 5 5.265 10.186 15.887 35 H LYS 6 H LYS 6 1.981 10.436 12.397 36 HA LYS 6 HA LYS 6 2.883 7.714 11.986 37 HB2 LYS 6 2HB LYS 6 0.880 8.367 13.349 38 HB3 LYS 6 3HB LYS 6 0.064 8.852 11.870 39 HG2 LYS 6 2HG LYS 6 -0.722 6.660 12.459 40 HG3 LYS 6 3HG LYS 6 0.247 6.512 11.003 41 HD2 LYS 6 2HD LYS 6 0.791 4.660 12.417 42 HD3 LYS 6 3HD LYS 6 2.189 5.730 12.446 43 HE2 LYS 6 2HE LYS 6 1.166 6.734 14.615 44 HE3 LYS 6 3HE LYS 6 0.026 5.381 14.564 45 HZ1 LYS 6 3HZ LYS 6 2.964 5.289 14.907 46 HZ2 LYS 6 1HZ LYS 6 1.843 4.698 15.909 47 HZ3 LYS 6 2HZ LYS 6 2.123 3.940 14.478 48 H THR 7 H THR 7 1.016 9.946 9.916 49 HA THR 7 HA THR 7 1.881 8.449 7.483 50 HB THR 7 HB THR 7 -0.881 9.614 7.889 51 HG1 THR 7 1HG THR 7 0.055 6.986 8.341 52 HG21 THR 7 1HG2 THR 7 0.114 8.924 5.485 53 HG22 THR 7 2HG2 THR 7 -0.316 7.330 6.012 54 HG23 THR 7 3HG2 THR 7 -1.540 8.623 5.928 55 H LEU 8 H LEU 8 2.162 9.677 5.576 56 HA LEU 8 HA LEU 8 2.412 12.571 5.840 57 HB2 LEU 8 2HB LEU 8 3.357 12.618 3.795 58 HB3 LEU 8 3HB LEU 8 3.759 10.986 4.286 59 HG LEU 8 HG LEU 8 1.519 11.812 2.359 60 HD11 LEU 8 1HD1 LEU 8 4.129 10.365 1.825 61 HD12 LEU 8 2HD1 LEU 8 2.890 10.805 0.635 62 HD13 LEU 8 3HD1 LEU 8 3.810 12.075 1.460 63 HD21 LEU 8 3HD2 LEU 8 2.474 9.055 3.205 64 HD22 LEU 8 1HD2 LEU 8 0.871 9.724 3.496 65 HD23 LEU 8 2HD2 LEU 8 1.376 9.379 1.845 66 H GLY 9 H GLY 9 -0.324 10.628 5.252 67 HA2 GLY 9 2HA GLY 9 -2.532 11.342 5.138 68 HA3 GLY 9 3HA GLY 9 -2.016 12.961 4.691 69 H ASP 10 H ASP 10 -0.936 10.091 2.790 70 HA ASP 10 HA ASP 10 -3.015 10.659 0.776 71 HB2 ASP 10 2HB ASP 10 -0.588 11.893 0.485 72 HB3 ASP 10 3HB ASP 10 -0.304 10.381 -0.391 73 H PHE 11 H PHE 11 -1.075 8.229 2.288 74 HA PHE 11 HA PHE 11 -2.452 6.247 0.631 75 HB2 PHE 11 2HB PHE 11 -0.219 4.953 0.393 76 HB3 PHE 11 3HB PHE 11 -0.701 6.170 -0.737 77 HD1 PHE 11 HD2 PHE 11 1.396 6.049 2.443 78 HD2 PHE 11 HD1 PHE 11 0.906 7.555 -1.573 79 HE1 PHE 11 HE2 PHE 11 3.700 6.943 2.491 80 HE2 PHE 11 HE1 PHE 11 3.183 8.529 -1.477 81 HZ PHE 11 HZ PHE 11 4.591 8.200 0.547 82 H ALA 12 H ALA 12 -2.427 4.104 1.408 83 HA ALA 12 HA ALA 12 -2.331 3.912 4.382 84 HB1 ALA 12 1HB ALA 12 -4.708 3.264 2.595 85 HB2 ALA 12 2HB ALA 12 -4.647 3.136 4.360 86 HB3 ALA 12 3HB ALA 12 -4.556 4.730 3.576 87 H ALA 13 H ALA 13 -2.527 1.770 5.238 88 HA ALA 13 HA ALA 13 -2.007 -0.501 3.372 89 HB1 ALA 13 1HB ALA 13 -0.470 0.148 5.925 90 HB2 ALA 13 2HB ALA 13 -0.178 -1.216 4.809 91 HB3 ALA 13 3HB ALA 13 0.099 0.455 4.270 92 H GLU 14 H GLU 14 -2.761 -2.532 4.036 93 HA GLU 14 HA GLU 14 -4.186 -2.974 6.546 94 HB2 GLU 14 2HB GLU 14 -5.650 -1.575 4.805 95 HB3 GLU 14 3HB GLU 14 -5.761 -3.108 3.948 96 HG2 GLU 14 2HG GLU 14 -6.760 -4.121 6.043 97 HG3 GLU 14 3HG GLU 14 -6.595 -2.558 6.835 98 H TYR 15 H TYR 15 -5.341 -5.272 6.225 99 HA TYR 15 HA TYR 15 -3.891 -6.972 4.227 100 HB2 TYR 15 2HB TYR 15 -5.512 -7.848 6.621 101 HB3 TYR 15 3HB TYR 15 -4.786 -8.904 5.414 102 HD1 TYR 15 HD2 TYR 15 -4.100 -6.595 8.214 103 HD2 TYR 15 HD1 TYR 15 -2.348 -9.281 5.337 104 HE1 TYR 15 HE2 TYR 15 -2.027 -6.731 9.588 105 HE2 TYR 15 HE1 TYR 15 -0.215 -9.304 6.665 106 HH TYR 15 HH TYR 15 0.875 -8.508 8.466 107 H ALA 16 H ALA 16 -5.047 -8.109 2.728 108 HA ALA 16 HA ALA 16 -7.356 -6.852 1.670 109 HB1 ALA 16 1HB ALA 16 -6.065 -9.517 1.127 110 HB2 ALA 16 2HB ALA 16 -7.260 -8.731 0.062 111 HB3 ALA 16 3HB ALA 16 -5.671 -7.974 0.346 112 H LYS 17 H LYS 17 -9.263 -6.859 2.778 113 HA LYS 17 HA LYS 17 -10.161 -8.958 4.507 114 HB2 LYS 17 2HB LYS 17 -10.665 -6.511 4.685 115 HB3 LYS 17 3HB LYS 17 -11.742 -6.651 3.288 116 HG2 LYS 17 2HG LYS 17 -13.192 -8.207 4.546 117 HG3 LYS 17 3HG LYS 17 -12.057 -8.180 5.912 118 HD2 LYS 17 2HD LYS 17 -12.487 -5.744 6.212 119 HD3 LYS 17 3HD LYS 17 -13.555 -5.762 4.805 120 HE2 LYS 17 2HE LYS 17 -14.953 -5.802 6.733 121 HE3 LYS 17 3HE LYS 17 -15.052 -7.390 5.971 122 HZ1 LYS 17 3HZ LYS 17 -14.797 -7.544 8.390 123 HZ2 LYS 17 1HZ LYS 17 -13.503 -8.220 7.668 124 HZ3 LYS 17 2HZ LYS 17 -13.383 -6.736 8.348 125 H SER 18 H SER 18 -10.733 -8.409 1.100 126 HA SER 18 HA SER 18 -12.061 -11.039 0.876 127 HB2 SER 18 2HB SER 18 -13.822 -10.206 -0.542 128 HB3 SER 18 3HB SER 18 -13.867 -9.311 0.986 129 HG SER 18 HG SER 18 -14.025 -7.829 -0.674 130 H ASN 19 H ASN 19 -11.993 -11.905 -1.304 131 HA ASN 19 HA ASN 19 -9.547 -11.193 -2.743 132 HB2 ASN 19 2HB ASN 19 -10.755 -13.567 -2.216 133 HB3 ASN 19 3HB ASN 19 -11.451 -13.262 -3.799 134 HD21 ASN 19 2HD2 ASN 19 -8.861 -14.718 -2.234 135 HD22 ASN 19 1HD2 ASN 19 -7.690 -14.638 -3.559 136 H ARG 20 H ARG 20 -12.151 -9.458 -2.703 137 HA ARG 20 HA ARG 20 -12.743 -9.210 -5.612 138 HB2 ARG 20 2HB ARG 20 -14.121 -7.991 -3.184 139 HB3 ARG 20 3HB ARG 20 -14.677 -7.883 -4.850 140 HG2 ARG 20 2HG ARG 20 -14.519 -10.428 -3.176 141 HG3 ARG 20 3HG ARG 20 -15.970 -9.527 -3.606 142 HD2 ARG 20 2HD ARG 20 -15.487 -9.996 -6.042 143 HD3 ARG 20 3HD ARG 20 -14.118 -10.986 -5.538 144 HE ARG 20 HE ARG 20 -15.539 -12.671 -4.806 145 HH11 ARG 20 1HH2 ARG 20 -17.548 -9.923 -5.657 146 HH12 ARG 20 2HH2 ARG 20 -19.012 -10.868 -5.599 147 HH21 ARG 20 1HH1 ARG 20 -17.440 -13.804 -4.749 148 HH22 ARG 20 2HH1 ARG 20 -18.944 -13.003 -5.098 149 H SER 21 H SER 21 -10.821 -7.617 -3.277 150 HA SER 21 HA SER 21 -10.765 -4.992 -4.557 151 HB2 SER 21 2HB SER 21 -10.034 -5.397 -2.213 152 HB3 SER 21 3HB SER 21 -8.658 -6.334 -2.815 153 HG SER 21 HG SER 21 -9.222 -3.591 -3.413 154 H THR 22 H THR 22 -8.978 -4.196 -5.932 155 HA THR 22 HA THR 22 -7.551 -6.279 -7.507 156 HB THR 22 HB THR 22 -9.221 -4.096 -8.756 157 HG1 THR 22 1HG THR 22 -10.545 -5.745 -7.986 158 HG21 THR 22 1HG2 THR 22 -8.806 -5.226 -10.888 159 HG22 THR 22 2HG2 THR 22 -7.278 -4.719 -10.165 160 HG23 THR 22 3HG2 THR 22 -7.786 -6.424 -10.078 161 H CYS 23 HN CYS 23 -5.594 -5.691 -8.163 162 HA CYS 23 HA CYS 23 -4.462 -3.270 -7.045 163 HB2 CYS 23 2HB CYS 23 -3.256 -5.298 -6.839 164 HB3 CYS 23 3HB CYS 23 -3.519 -5.698 -8.536 165 H LYS 24 H LYS 24 -4.641 -1.413 -8.062 166 HA LYS 24 HA LYS 24 -4.990 -1.123 -10.957 167 HB2 LYS 24 2HB LYS 24 -4.670 0.742 -8.599 168 HB3 LYS 24 3HB LYS 24 -4.504 1.366 -10.241 169 HG2 LYS 24 2HG LYS 24 -6.770 1.677 -9.557 170 HG3 LYS 24 3HG LYS 24 -6.714 0.506 -10.861 171 HD2 LYS 24 2HD LYS 24 -7.155 -1.332 -9.313 172 HD3 LYS 24 3HD LYS 24 -6.918 -0.267 -7.921 173 HE2 LYS 24 2HE LYS 24 -9.266 -0.651 -8.181 174 HE3 LYS 24 3HE LYS 24 -8.934 1.035 -8.577 175 HZ1 LYS 24 3HZ LYS 24 -9.072 0.434 -10.944 176 HZ2 LYS 24 1HZ LYS 24 -9.354 -1.138 -10.570 177 HZ3 LYS 24 2HZ LYS 24 -10.445 0.005 -10.181 178 H GLY 25 H GLY 25 -2.253 -1.706 -9.053 179 HA2 GLY 25 2HA GLY 25 -0.273 -0.287 -10.646 180 HA3 GLY 25 3HA GLY 25 0.025 -1.568 -9.470 181 H CYS 26 HN CYS 26 -1.625 -3.557 -10.773 182 HA CYS 26 HA CYS 26 -0.314 -3.913 -13.418 183 HB2 CYS 26 2HB CYS 26 0.311 -6.164 -13.018 184 HB3 CYS 26 3HB CYS 26 1.006 -5.154 -11.746 185 H MET 27 H MET 27 -3.261 -3.940 -11.864 186 HA MET 27 HA MET 27 -5.321 -4.444 -12.394 187 HB2 MET 27 2HB MET 27 -4.613 -3.243 -14.510 188 HB3 MET 27 3HB MET 27 -4.551 -4.816 -15.292 189 HG2 MET 27 2HG MET 27 -6.678 -3.566 -15.634 190 HG3 MET 27 3HG MET 27 -6.905 -5.168 -14.952 191 HE1 MET 27 3HE MET 27 -7.178 -1.386 -12.263 192 HE2 MET 27 1HE MET 27 -5.652 -2.171 -12.711 193 HE3 MET 27 2HE MET 27 -6.605 -1.311 -13.945 194 H GLU 28 H GLU 28 -4.455 -6.336 -11.025 195 HA GLU 28 HA GLU 28 -6.233 -8.422 -11.942 196 HB2 GLU 28 2HB GLU 28 -4.972 -10.326 -11.772 197 HB3 GLU 28 3HB GLU 28 -3.980 -9.253 -12.752 198 HG2 GLU 28 2HG GLU 28 -2.569 -8.780 -10.760 199 HG3 GLU 28 3HG GLU 28 -3.583 -9.846 -9.789 200 H LYS 29 H LYS 29 -6.714 -9.988 -10.129 201 HA LYS 29 HA LYS 29 -7.681 -8.247 -8.090 202 HB2 LYS 29 2HB LYS 29 -8.833 -10.205 -7.203 203 HB3 LYS 29 3HB LYS 29 -9.053 -10.038 -8.947 204 HG2 LYS 29 2HG LYS 29 -7.293 -11.784 -9.320 205 HG3 LYS 29 3HG LYS 29 -7.143 -11.968 -7.558 206 HD2 LYS 29 2HD LYS 29 -9.625 -12.532 -7.492 207 HD3 LYS 29 3HD LYS 29 -9.615 -12.501 -9.256 208 HE2 LYS 29 2HE LYS 29 -9.441 -14.781 -8.570 209 HE3 LYS 29 3HE LYS 29 -7.878 -14.320 -9.253 210 HZ1 LYS 29 3HZ LYS 29 -7.810 -15.579 -7.073 211 HZ2 LYS 29 1HZ LYS 29 -6.957 -14.193 -7.044 212 HZ3 LYS 29 2HZ LYS 29 -8.416 -14.240 -6.334 213 H ILE 30 H ILE 30 -7.250 -8.008 -6.022 214 HA ILE 30 HA ILE 30 -4.652 -8.924 -5.015 215 HB ILE 30 HB ILE 30 -6.772 -7.009 -4.025 216 HG12 ILE 30 2HG1 ILE 30 -3.817 -6.563 -4.654 217 HG13 ILE 30 3HG1 ILE 30 -5.057 -6.475 -5.893 218 HG21 ILE 30 1HG2 ILE 30 -5.831 -8.163 -2.024 219 HG22 ILE 30 2HG2 ILE 30 -4.195 -7.697 -2.553 220 HG23 ILE 30 3HG2 ILE 30 -5.398 -6.463 -2.106 221 HD11 ILE 30 3HD1 ILE 30 -4.914 -4.678 -3.446 222 HD12 ILE 30 1HD1 ILE 30 -4.511 -4.266 -5.119 223 HD13 ILE 30 2HD1 ILE 30 -6.186 -4.650 -4.700 224 H GLU 31 H GLU 31 -4.334 -10.653 -3.765 225 HA GLU 31 HA GLU 31 -6.514 -12.486 -3.305 226 HB2 GLU 31 2HB GLU 31 -3.607 -12.581 -2.402 227 HB3 GLU 31 3HB GLU 31 -4.755 -13.908 -2.257 228 HG2 GLU 31 2HG GLU 31 -3.702 -12.663 -4.823 229 HG3 GLU 31 3HG GLU 31 -3.281 -14.235 -4.156 230 H LYS 32 H LYS 32 -7.556 -13.001 -1.511 231 HA LYS 32 HA LYS 32 -7.751 -11.239 0.728 232 HB2 LYS 32 2HB LYS 32 -9.530 -12.815 -0.062 233 HB3 LYS 32 3HB LYS 32 -8.585 -14.166 0.579 234 HG2 LYS 32 2HG LYS 32 -8.758 -13.176 2.869 235 HG3 LYS 32 3HG LYS 32 -9.703 -11.829 2.200 236 HD2 LYS 32 2HD LYS 32 -11.454 -13.408 1.493 237 HD3 LYS 32 3HD LYS 32 -10.478 -14.769 2.099 238 HE2 LYS 32 2HE LYS 32 -10.566 -13.815 4.388 239 HE3 LYS 32 3HE LYS 32 -11.534 -12.461 3.797 240 HZ1 LYS 32 3HZ LYS 32 -12.377 -15.312 3.725 241 HZ2 LYS 32 1HZ LYS 32 -12.931 -14.191 4.771 242 HZ3 LYS 32 2HZ LYS 32 -13.275 -14.057 3.183 243 H GLY 33 H GLY 33 -7.005 -11.320 2.797 244 HA2 GLY 33 2HA GLY 33 -5.792 -11.923 4.646 245 HA3 GLY 33 3HA GLY 33 -5.581 -13.524 3.941 246 H GLN 34 H GLN 34 -4.223 -11.111 1.860 247 HA GLN 34 HA GLN 34 -1.632 -11.124 3.310 248 HB2 GLN 34 2HB GLN 34 -0.398 -11.136 1.239 249 HB3 GLN 34 3HB GLN 34 -1.323 -12.602 1.484 250 HG2 GLN 34 2HG GLN 34 -1.433 -12.094 -0.843 251 HG3 GLN 34 3HG GLN 34 -3.024 -11.789 -0.177 252 HE21 GLN 34 2HE2 GLN 34 -3.881 -9.693 -0.518 253 HE22 GLN 34 1HE2 GLN 34 -2.851 -8.287 -0.536 254 H VAL 35 H VAL 35 -0.286 -9.139 2.682 255 HA VAL 35 HA VAL 35 -1.817 -6.890 3.544 256 HB VAL 35 HB VAL 35 0.991 -7.061 2.419 257 HG11 VAL 35 1HG1 VAL 35 0.276 -4.732 2.141 258 HG12 VAL 35 2HG1 VAL 35 -0.358 -4.701 3.806 259 HG13 VAL 35 3HG1 VAL 35 1.381 -4.862 3.505 260 HG21 VAL 35 3HG2 VAL 35 0.628 -8.240 4.576 261 HG22 VAL 35 1HG2 VAL 35 1.650 -6.819 4.780 262 HG23 VAL 35 2HG2 VAL 35 -0.051 -6.752 5.273 263 H ARG 36 H ARG 36 -2.536 -5.027 2.524 264 HA ARG 36 HA ARG 36 -2.037 -4.673 -0.363 265 HB2 ARG 36 2HB ARG 36 -4.299 -4.159 -0.939 266 HB3 ARG 36 3HB ARG 36 -4.196 -5.809 -0.320 267 HG2 ARG 36 2HG ARG 36 -5.224 -5.175 1.784 268 HG3 ARG 36 3HG ARG 36 -5.130 -3.461 1.379 269 HD2 ARG 36 2HD ARG 36 -6.608 -3.870 -0.599 270 HD3 ARG 36 3HD ARG 36 -6.830 -5.535 -0.054 271 HE ARG 36 HE ARG 36 -7.513 -4.038 2.180 272 HH11 ARG 36 1HH2 ARG 36 -8.651 -3.779 -1.146 273 HH12 ARG 36 2HH2 ARG 36 -10.162 -3.088 -0.625 274 HH21 ARG 36 1HH1 ARG 36 -9.371 -3.147 2.719 275 HH22 ARG 36 2HH1 ARG 36 -10.598 -2.779 1.516 276 H LEU 37 H LEU 37 -1.932 -2.584 -1.030 277 HA LEU 37 HA LEU 37 -2.035 -0.493 1.094 278 HB2 LEU 37 2HB LEU 37 -0.214 -0.464 -1.328 279 HB3 LEU 37 3HB LEU 37 -0.247 0.623 0.095 280 HG LEU 37 HG LEU 37 1.679 -0.566 0.294 281 HD11 LEU 37 1HD1 LEU 37 0.319 -0.337 2.311 282 HD12 LEU 37 2HD1 LEU 37 -0.195 -2.029 2.163 283 HD13 LEU 37 3HD1 LEU 37 1.521 -1.642 2.398 284 HD21 LEU 37 3HD2 LEU 37 0.274 -3.267 0.105 285 HD22 LEU 37 1HD2 LEU 37 1.138 -2.491 -1.238 286 HD23 LEU 37 2HD2 LEU 37 2.000 -2.933 0.252 287 H SER 38 H SER 38 -2.703 1.609 0.445 288 HA SER 38 HA SER 38 -4.132 1.784 -2.146 289 HB2 SER 38 2HB SER 38 -5.874 1.467 -0.529 290 HB3 SER 38 3HB SER 38 -5.154 2.667 0.554 291 HG SER 38 HG SER 38 -6.730 3.748 -0.463 292 H LYS 39 H LYS 39 -4.074 3.790 -3.160 293 HA LYS 39 HA LYS 39 -2.789 6.078 -1.701 294 HB2 LYS 39 2HB LYS 39 -1.457 5.658 -3.636 295 HB3 LYS 39 3HB LYS 39 -2.878 5.596 -4.692 296 HG2 LYS 39 2HG LYS 39 -3.296 7.934 -4.478 297 HG3 LYS 39 3HG LYS 39 -2.159 8.106 -3.118 298 HD2 LYS 39 2HD LYS 39 -0.263 7.674 -4.545 299 HD3 LYS 39 3HD LYS 39 -1.328 7.232 -5.899 300 HE2 LYS 39 2HE LYS 39 -0.744 9.330 -6.546 301 HE3 LYS 39 3HE LYS 39 -2.245 9.672 -5.685 302 HZ1 LYS 39 3HZ LYS 39 -0.928 10.389 -3.774 303 HZ2 LYS 39 1HZ LYS 39 0.479 9.910 -4.506 304 HZ3 LYS 39 2HZ LYS 39 -0.385 11.171 -5.087 305 H LYS 40 H LYS 40 -4.062 7.650 -1.133 306 HA LYS 40 HA LYS 40 -6.894 7.688 -2.016 307 HB2 LYS 40 2HB LYS 40 -6.722 7.638 0.284 308 HB3 LYS 40 3HB LYS 40 -5.438 8.813 0.358 309 HG2 LYS 40 2HG LYS 40 -8.275 9.483 -0.616 310 HG3 LYS 40 3HG LYS 40 -7.827 9.493 1.083 311 HD2 LYS 40 2HD LYS 40 -6.896 11.401 -1.070 312 HD3 LYS 40 3HD LYS 40 -7.756 11.739 0.430 313 HE2 LYS 40 2HE LYS 40 -5.783 11.148 1.757 314 HE3 LYS 40 3HE LYS 40 -4.917 10.677 0.279 315 HZ1 LYS 40 3HZ LYS 40 -5.838 13.450 0.586 316 HZ2 LYS 40 1HZ LYS 40 -4.421 12.919 1.233 317 HZ3 LYS 40 2HZ LYS 40 -4.612 12.818 -0.361 318 H MET 41 H MET 41 -7.390 8.910 -3.723 319 HA MET 41 HA MET 41 -6.350 11.624 -4.005 320 HB2 MET 41 2HB MET 41 -5.309 11.321 -6.204 321 HB3 MET 41 3HB MET 41 -4.453 10.415 -4.960 322 HG2 MET 41 2HG MET 41 -5.564 8.330 -5.688 323 HG3 MET 41 3HG MET 41 -6.467 9.230 -6.912 324 HE1 MET 41 3HE MET 41 -4.883 6.648 -7.532 325 HE2 MET 41 1HE MET 41 -5.817 7.599 -8.721 326 HE3 MET 41 2HE MET 41 -4.147 7.090 -9.091 327 H VAL 42 H VAL 42 -7.679 12.944 -5.367 328 HA VAL 42 HA VAL 42 -10.118 12.140 -6.385 329 HB VAL 42 HB VAL 42 -8.294 14.265 -7.568 330 HG11 VAL 42 1HG1 VAL 42 -10.167 13.796 -9.078 331 HG12 VAL 42 2HG1 VAL 42 -11.321 13.904 -7.726 332 HG13 VAL 42 3HG1 VAL 42 -10.431 15.341 -8.276 333 HG21 VAL 42 3HG2 VAL 42 -8.662 14.697 -5.176 334 HG22 VAL 42 1HG2 VAL 42 -9.579 15.842 -6.144 335 HG23 VAL 42 2HG2 VAL 42 -10.414 14.475 -5.385 336 H ASP 43 H ASP 43 -10.841 11.006 -8.123 337 HA ASP 43 HA ASP 43 -8.997 9.540 -9.803 338 HB2 ASP 43 2HB ASP 43 -11.152 8.627 -9.045 339 HB3 ASP 43 3HB ASP 43 -12.019 9.869 -9.941 340 HA PRO 44 HA PRO 44 -8.569 12.813 -12.755 341 HB2 PRO 44 2HB PRO 44 -7.079 11.572 -14.704 342 HB3 PRO 44 3HB PRO 44 -6.442 11.936 -13.070 343 HG2 PRO 44 2HG PRO 44 -7.653 9.319 -14.043 344 HG3 PRO 44 3HG PRO 44 -6.087 9.563 -13.195 345 HD2 PRO 44 2HD PRO 44 -8.320 8.838 -11.866 346 HD3 PRO 44 3HD PRO 44 -7.161 10.001 -11.152 347 H GLU 45 H GLU 45 -10.442 10.005 -13.559 348 HA GLU 45 HA GLU 45 -11.455 11.265 -16.092 349 HB2 GLU 45 2HB GLU 45 -11.795 8.438 -15.021 350 HB3 GLU 45 3HB GLU 45 -12.479 9.072 -16.519 351 HG2 GLU 45 2HG GLU 45 -10.159 9.539 -17.349 352 HG3 GLU 45 3HG GLU 45 -9.511 8.761 -15.902 353 H LYS 46 H LYS 46 -12.131 10.914 -12.809 354 HA LYS 46 HA LYS 46 -15.000 11.695 -13.063 355 HB2 LYS 46 2HB LYS 46 -13.923 9.439 -11.339 356 HB3 LYS 46 3HB LYS 46 -15.572 10.065 -11.286 357 HG2 LYS 46 2HG LYS 46 -16.035 9.309 -13.529 358 HG3 LYS 46 3HG LYS 46 -14.377 8.738 -13.750 359 HD2 LYS 46 2HD LYS 46 -16.282 7.772 -11.587 360 HD3 LYS 46 3HD LYS 46 -16.015 6.931 -13.125 361 HE2 LYS 46 2HE LYS 46 -14.037 7.340 -10.847 362 HE3 LYS 46 3HE LYS 46 -14.726 5.819 -11.410 363 HZ1 LYS 46 3HZ LYS 46 -12.467 6.106 -12.206 364 HZ2 LYS 46 1HZ LYS 46 -13.465 6.156 -13.515 365 HZ3 LYS 46 2HZ LYS 46 -12.776 7.524 -12.877 366 HA PRO 47 HA PRO 47 -12.419 13.985 -9.825 367 HB2 PRO 47 2HB PRO 47 -12.771 16.561 -10.752 368 HB3 PRO 47 3HB PRO 47 -11.436 15.473 -11.252 369 HG2 PRO 47 2HG PRO 47 -14.072 15.951 -12.684 370 HG3 PRO 47 3HG PRO 47 -12.409 15.972 -13.371 371 HD2 PRO 47 2HD PRO 47 -13.966 13.787 -13.579 372 HD3 PRO 47 3HD PRO 47 -12.215 13.636 -13.234 373 H GLN 48 H GLN 48 -15.646 14.132 -11.100 374 HA GLN 48 HA GLN 48 -16.915 15.757 -9.104 375 HB2 GLN 48 2HB GLN 48 -17.978 13.527 -10.889 376 HB3 GLN 48 3HB GLN 48 -18.980 14.591 -9.893 377 HG2 GLN 48 2HG GLN 48 -18.116 16.573 -11.129 378 HG3 GLN 48 3HG GLN 48 -17.159 15.510 -12.167 379 HE21 GLN 48 2HE2 GLN 48 -20.535 16.380 -11.265 380 HE22 GLN 48 1HE2 GLN 48 -21.228 15.746 -12.752 381 H LEU 49 H LEU 49 -15.797 12.343 -8.965 382 HA LEU 49 HA LEU 49 -17.276 11.602 -6.597 383 HB2 LEU 49 2HB LEU 49 -14.507 10.880 -7.666 384 HB3 LEU 49 3HB LEU 49 -15.254 10.072 -6.301 385 HG LEU 49 HG LEU 49 -16.430 10.065 -9.111 386 HD11 LEU 49 1HD1 LEU 49 -15.549 7.745 -9.139 387 HD12 LEU 49 2HD1 LEU 49 -14.239 8.944 -8.948 388 HD13 LEU 49 3HD1 LEU 49 -14.808 8.025 -7.544 389 HD21 LEU 49 3HD2 LEU 49 -18.133 9.711 -7.384 390 HD22 LEU 49 1HD2 LEU 49 -17.763 8.166 -8.166 391 HD23 LEU 49 2HD2 LEU 49 -17.089 8.533 -6.555 392 H GLY 50 H GLY 50 -14.461 13.681 -7.063 393 HA2 GLY 50 2HA GLY 50 -12.867 14.510 -5.594 394 HA3 GLY 50 3HA GLY 50 -13.831 13.969 -4.216 395 H MET 51 H MET 51 -12.239 12.892 -3.184 396 HA MET 51 HA MET 51 -10.218 11.349 -4.395 397 HB2 MET 51 2HB MET 51 -10.689 11.422 -1.424 398 HB3 MET 51 3HB MET 51 -9.179 11.343 -2.333 399 HG2 MET 51 2HG MET 51 -9.926 13.744 -3.196 400 HG3 MET 51 3HG MET 51 -10.991 13.706 -1.795 401 HE1 MET 51 3HE MET 51 -7.463 12.938 -2.949 402 HE2 MET 51 1HE MET 51 -7.572 14.697 -3.152 403 HE3 MET 51 2HE MET 51 -6.428 14.019 -1.974 404 H ILE 52 H ILE 52 -9.909 9.227 -4.574 405 HA ILE 52 HA ILE 52 -11.724 7.329 -3.194 406 HB ILE 52 HB ILE 52 -11.447 5.833 -5.233 407 HG12 ILE 52 2HG1 ILE 52 -11.196 6.900 -7.421 408 HG13 ILE 52 3HG1 ILE 52 -10.721 8.425 -6.675 409 HG21 ILE 52 1HG2 ILE 52 -13.044 8.382 -5.634 410 HG22 ILE 52 2HG2 ILE 52 -13.339 6.774 -6.342 411 HG23 ILE 52 3HG2 ILE 52 -13.513 7.006 -4.598 412 HD11 ILE 52 3HD1 ILE 52 -9.191 5.814 -6.339 413 HD12 ILE 52 1HD1 ILE 52 -8.831 7.033 -7.594 414 HD13 ILE 52 2HD1 ILE 52 -8.630 7.437 -5.895 415 H ASP 53 H ASP 53 -10.840 5.081 -3.184 416 HA ASP 53 HA ASP 53 -8.009 5.123 -2.257 417 HB2 ASP 53 2HB ASP 53 -10.446 3.509 -1.470 418 HB3 ASP 53 3HB ASP 53 -8.835 2.838 -1.259 419 H ARG 54 H ARG 54 -6.879 4.775 -3.990 420 HA ARG 54 HA ARG 54 -7.461 2.671 -5.988 421 HB2 ARG 54 2HB ARG 54 -6.151 5.123 -6.110 422 HB3 ARG 54 3HB ARG 54 -4.789 4.033 -5.991 423 HG2 ARG 54 2HG ARG 54 -5.260 4.474 -8.296 424 HG3 ARG 54 3HG ARG 54 -5.615 2.775 -7.965 425 HD2 ARG 54 2HD ARG 54 -7.955 3.117 -8.133 426 HD3 ARG 54 3HD ARG 54 -7.813 4.802 -7.631 427 HE ARG 54 HE ARG 54 -6.609 4.427 -10.224 428 HH11 ARG 54 1HH2 ARG 54 -9.774 4.762 -8.697 429 HH12 ARG 54 2HH2 ARG 54 -10.322 5.825 -9.993 430 HH21 ARG 54 1HH1 ARG 54 -7.575 5.690 -11.895 431 HH22 ARG 54 2HH1 ARG 54 -9.230 6.242 -11.631 432 H TRP 55 H TRP 55 -7.176 0.595 -5.273 433 HA TRP 55 HA TRP 55 -5.086 -0.005 -3.329 434 HB2 TRP 55 2HB TRP 55 -7.171 -1.774 -4.612 435 HB3 TRP 55 3HB TRP 55 -6.009 -2.308 -3.404 436 HD1 TRP 55 HD1 TRP 55 -9.295 -0.557 -3.726 437 HE1 TRP 55 HE1 TRP 55 -10.175 0.211 -1.444 438 HE3 TRP 55 HE3 TRP 55 -5.191 -1.654 -0.859 439 HZ2 TRP 55 HZ2 TRP 55 -9.194 0.412 1.265 440 HZ3 TRP 55 HZ3 TRP 55 -5.175 -1.110 1.568 441 HH2 TRP 55 HH2 TRP 55 -7.167 -0.089 2.637 442 H TYR 56 H TYR 56 -3.462 -1.468 -3.476 443 HA TYR 56 HA TYR 56 -2.400 -2.450 -6.054 444 HB2 TYR 56 2HB TYR 56 -0.902 -0.818 -3.955 445 HB3 TYR 56 3HB TYR 56 -0.205 -1.506 -5.415 446 HD1 TYR 56 HD1 TYR 56 -1.018 -0.691 -7.658 447 HD2 TYR 56 HD2 TYR 56 -1.984 1.345 -4.007 448 HE1 TYR 56 HE1 TYR 56 -1.637 1.351 -8.974 449 HE2 TYR 56 HE2 TYR 56 -2.625 3.367 -5.310 450 HH TYR 56 HH TYR 56 -2.455 3.481 -8.883 451 H HIS 57 H HIS 57 -0.848 -4.066 -5.830 452 HA HIS 57 HA HIS 57 -0.909 -5.913 -3.525 453 HB2 HIS 57 2HB HIS 57 0.858 -5.860 -5.990 454 HB3 HIS 57 3HB HIS 57 0.958 -7.074 -4.746 455 HD2 HIS 57 HD2 HIS 57 -1.495 -8.464 -4.260 456 HE1 HIS 57 HE1 HIS 57 -2.622 -8.289 -8.352 457 HE2 HIS 57 HE2 HIS 57 -3.026 -9.479 -6.170 458 HA PRO 58 HA PRO 58 2.784 -4.221 -1.390 459 HB2 PRO 58 2HB PRO 58 3.686 -7.094 -1.276 460 HB3 PRO 58 3HB PRO 58 3.662 -5.859 0.025 461 HG2 PRO 58 2HG PRO 58 1.715 -7.721 -0.059 462 HG3 PRO 58 3HG PRO 58 1.272 -6.000 0.206 463 HD2 PRO 58 2HD PRO 58 1.209 -7.568 -2.391 464 HD3 PRO 58 3HD PRO 58 -0.060 -6.534 -1.674 465 H GLY 59 H GLY 59 3.233 -6.434 -4.083 466 HA2 GLY 59 2HA GLY 59 6.009 -5.525 -4.645 467 HA3 GLY 59 3HA GLY 59 5.140 -6.832 -5.469 468 H CYS 60 HN CYS 60 2.914 -4.395 -5.453 469 HA CYS 60 HA CYS 60 3.864 -3.283 -8.044 470 HB2 CYS 60 2HB CYS 60 1.063 -3.490 -6.948 471 HB3 CYS 60 3HB CYS 60 1.530 -2.852 -8.535 472 H PHE 61 H PHE 61 2.482 -2.250 -4.898 473 HA PHE 61 HA PHE 61 2.491 0.514 -5.560 474 HB2 PHE 61 2HB PHE 61 1.760 0.826 -3.480 475 HB3 PHE 61 3HB PHE 61 1.572 -0.922 -3.495 476 HD1 PHE 61 HD2 PHE 61 3.360 -2.357 -2.520 477 HD2 PHE 61 HD1 PHE 61 3.319 1.892 -2.003 478 HE1 PHE 61 HE2 PHE 61 4.772 -2.614 -0.468 479 HE2 PHE 61 HE1 PHE 61 4.619 1.655 0.120 480 HZ PHE 61 HZ PHE 61 5.359 -0.599 0.878 481 H VAL 62 H VAL 62 5.117 -1.536 -4.371 482 HA VAL 62 HA VAL 62 7.225 0.416 -4.316 483 HB VAL 62 HB VAL 62 8.706 -1.610 -4.664 484 HG11 VAL 62 1HG1 VAL 62 8.200 -2.593 -2.501 485 HG12 VAL 62 2HG1 VAL 62 8.078 -0.838 -2.431 486 HG13 VAL 62 3HG1 VAL 62 6.601 -1.831 -2.480 487 HG21 VAL 62 3HG2 VAL 62 7.759 -3.830 -4.485 488 HG22 VAL 62 1HG2 VAL 62 6.128 -3.159 -4.653 489 HG23 VAL 62 2HG2 VAL 62 7.296 -3.046 -5.995 490 H LYS 63 H LYS 63 5.782 -1.322 -6.990 491 HA LYS 63 HA LYS 63 7.903 -0.724 -8.926 492 HB2 LYS 63 2HB LYS 63 6.662 -2.849 -8.844 493 HB3 LYS 63 3HB LYS 63 5.156 -1.987 -9.193 494 HG2 LYS 63 2HG LYS 63 5.880 -1.437 -11.414 495 HG3 LYS 63 3HG LYS 63 7.513 -2.044 -11.094 496 HD2 LYS 63 2HD LYS 63 6.113 -3.595 -12.443 497 HD3 LYS 63 3HD LYS 63 6.740 -4.329 -10.975 498 HE2 LYS 63 2HE LYS 63 4.029 -3.086 -10.721 499 HE3 LYS 63 3HE LYS 63 4.114 -4.429 -11.855 500 HZ1 LYS 63 3HZ LYS 63 4.893 -5.871 -10.136 501 HZ2 LYS 63 1HZ LYS 63 5.075 -4.664 -9.044 502 HZ3 LYS 63 2HZ LYS 63 3.584 -5.094 -9.524 503 H ASN 64 H ASN 64 4.779 0.682 -8.059 504 HA ASN 64 HA ASN 64 5.288 2.903 -9.979 505 HB2 ASN 64 2HB ASN 64 2.759 3.402 -9.084 506 HB3 ASN 64 3HB ASN 64 3.233 2.721 -10.618 507 HD21 ASN 64 1HD2 ASN 64 1.902 1.955 -7.420 508 HD22 ASN 64 2HD2 ASN 64 1.222 0.424 -7.985 509 H ARG 65 H ARG 65 6.334 2.344 -6.998 510 HA ARG 65 HA ARG 65 5.748 4.150 -5.198 511 HB2 ARG 65 2HB ARG 65 7.652 2.618 -5.076 512 HB3 ARG 65 3HB ARG 65 8.486 3.452 -6.385 513 HG2 ARG 65 2HG ARG 65 8.726 5.456 -4.870 514 HG3 ARG 65 3HG ARG 65 8.035 4.459 -3.567 515 HD2 ARG 65 2HD ARG 65 9.898 2.865 -3.815 516 HD3 ARG 65 3HD ARG 65 10.583 3.861 -5.116 517 HE ARG 65 HE ARG 65 10.472 5.724 -3.234 518 HH11 ARG 65 1HH2 ARG 65 11.760 2.480 -2.838 519 HH12 ARG 65 2HH2 ARG 65 12.608 2.939 -1.377 520 HH21 ARG 65 1HH1 ARG 65 11.581 6.169 -1.356 521 HH22 ARG 65 2HH1 ARG 65 12.421 4.875 -0.532 522 H GLU 66 H GLU 66 7.771 5.065 -7.993 523 HA GLU 66 HA GLU 66 7.845 7.815 -7.214 524 HB2 GLU 66 2HB GLU 66 9.023 8.197 -9.347 525 HB3 GLU 66 3HB GLU 66 9.706 6.884 -8.389 526 HG2 GLU 66 2HG GLU 66 8.604 5.211 -9.830 527 HG3 GLU 66 3HG GLU 66 7.846 6.497 -10.776 528 H GLU 67 H GLU 67 5.589 6.050 -9.181 529 HA GLU 67 HA GLU 67 4.330 8.403 -10.401 530 HB2 GLU 67 2HB GLU 67 4.452 6.227 -11.560 531 HB3 GLU 67 3HB GLU 67 3.434 5.504 -10.309 532 HG2 GLU 67 2HG GLU 67 1.575 6.976 -10.902 533 HG3 GLU 67 3HG GLU 67 2.596 7.871 -12.033 534 H LEU 68 H LEU 68 3.743 6.183 -7.658 535 HA LEU 68 HA LEU 68 1.335 7.481 -6.700 536 HB2 LEU 68 2HB LEU 68 3.413 5.789 -5.262 537 HB3 LEU 68 3HB LEU 68 1.838 6.225 -4.606 538 HG LEU 68 HG LEU 68 2.383 4.411 -6.988 539 HD11 LEU 68 1HD1 LEU 68 1.253 3.882 -4.215 540 HD12 LEU 68 2HD1 LEU 68 1.368 2.688 -5.516 541 HD13 LEU 68 3HD1 LEU 68 2.848 3.381 -4.822 542 HD21 LEU 68 3HD2 LEU 68 -0.309 5.093 -5.775 543 HD22 LEU 68 1HD2 LEU 68 0.275 5.663 -7.363 544 HD23 LEU 68 2HD2 LEU 68 0.035 3.947 -7.084 545 H GLY 69 H GLY 69 4.679 8.373 -6.508 546 HA2 GLY 69 2HA GLY 69 5.368 10.572 -6.045 547 HA3 GLY 69 3HA GLY 69 3.915 10.862 -5.092 548 H PHE 70 H PHE 70 5.751 7.955 -4.394 549 HA PHE 70 HA PHE 70 6.386 8.724 -1.683 550 HB2 PHE 70 2HB PHE 70 7.168 6.481 -3.527 551 HB3 PHE 70 3HB PHE 70 8.007 6.674 -2.004 552 HD1 PHE 70 HD1 PHE 70 4.796 5.785 -3.574 553 HD2 PHE 70 HD2 PHE 70 6.967 6.157 0.121 554 HE1 PHE 70 HE1 PHE 70 3.090 4.379 -2.434 555 HE2 PHE 70 HE2 PHE 70 5.283 4.735 1.259 556 HZ PHE 70 HZ PHE 70 3.348 3.837 -0.023 557 H ARG 71 H ARG 71 8.220 9.388 -0.772 558 HA ARG 71 HA ARG 71 10.762 9.670 -2.256 559 HB2 ARG 71 2HB ARG 71 9.521 11.835 -0.483 560 HB3 ARG 71 3HB ARG 71 11.187 11.845 -1.005 561 HG2 ARG 71 2HG ARG 71 8.772 12.009 -2.856 562 HG3 ARG 71 3HG ARG 71 9.781 13.360 -2.348 563 HD2 ARG 71 2HD ARG 71 10.719 10.968 -3.974 564 HD3 ARG 71 3HD ARG 71 10.342 12.567 -4.621 565 HE ARG 71 HE ARG 71 12.214 13.246 -2.819 566 HH11 ARG 71 1HH2 ARG 71 12.334 10.731 -5.256 567 HH12 ARG 71 2HH2 ARG 71 14.072 10.786 -5.355 568 HH21 ARG 71 1HH1 ARG 71 14.427 13.265 -3.000 569 HH22 ARG 71 2HH1 ARG 71 15.218 12.193 -4.116 570 HA PRO 72 HA PRO 72 12.441 7.589 1.189 571 HB2 PRO 72 2HB PRO 72 14.491 9.796 1.492 572 HB3 PRO 72 3HB PRO 72 14.741 8.023 1.485 573 HG2 PRO 72 2HG PRO 72 15.260 9.456 -0.751 574 HG3 PRO 72 3HG PRO 72 14.351 7.914 -0.889 575 HD2 PRO 72 2HD PRO 72 13.260 10.743 -0.851 576 HD3 PRO 72 3HD PRO 72 12.844 9.386 -1.939 577 H GLU 73 H GLU 73 11.974 11.095 1.766 578 HA GLU 73 HA GLU 73 12.010 10.882 4.639 579 HB2 GLU 73 2HB GLU 73 11.218 13.171 4.633 580 HB3 GLU 73 3HB GLU 73 12.485 12.963 3.426 581 HG2 GLU 73 2HG GLU 73 10.708 12.787 1.646 582 HG3 GLU 73 3HG GLU 73 9.487 13.105 2.879 583 H TYR 74 H TYR 74 9.611 9.833 2.464 584 HA TYR 74 HA TYR 74 7.931 9.115 4.724 585 HB2 TYR 74 2HB TYR 74 5.817 9.831 3.446 586 HB3 TYR 74 3HB TYR 74 6.711 10.974 4.411 587 HD1 TYR 74 HD1 TYR 74 7.035 9.836 0.827 588 HD2 TYR 74 HD2 TYR 74 6.589 13.105 3.592 589 HE1 TYR 74 HE1 TYR 74 6.944 11.450 -1.083 590 HE2 TYR 74 HE2 TYR 74 6.556 14.714 1.691 591 HH TYR 74 HH TYR 74 6.732 13.629 -1.721 592 H SER 75 H SER 75 9.372 7.369 3.914 593 HA SER 75 HA SER 75 8.688 5.494 1.939 594 HB2 SER 75 2HB SER 75 9.875 3.980 3.460 595 HB3 SER 75 3HB SER 75 10.668 5.561 3.459 596 HG SER 75 HG SER 75 10.343 4.744 5.601 597 H ALA 76 H ALA 76 8.012 3.141 2.970 598 HA ALA 76 HA ALA 76 5.225 3.027 3.398 599 HB1 ALA 76 1HB ALA 76 7.498 1.132 4.101 600 HB2 ALA 76 2HB ALA 76 5.790 0.740 4.379 601 HB3 ALA 76 3HB ALA 76 6.345 1.045 2.736 602 H SER 77 H SER 77 7.654 3.874 5.807 603 HA SER 77 HA SER 77 6.245 3.211 8.170 604 HB2 SER 77 2HB SER 77 7.974 5.659 7.571 605 HB3 SER 77 3HB SER 77 7.601 5.021 9.181 606 HG SER 77 HG SER 77 9.666 4.361 8.364 607 H GLN 78 H GLN 78 5.698 5.721 5.766 608 HA GLN 78 HA GLN 78 3.851 7.177 7.490 609 HB2 GLN 78 2HB GLN 78 5.212 7.915 4.891 610 HB3 GLN 78 3HB GLN 78 4.056 8.948 5.715 611 HG2 GLN 78 2HG GLN 78 6.708 8.007 6.891 612 HG3 GLN 78 3HG GLN 78 6.370 9.609 6.256 613 HE21 GLN 78 2HE2 GLN 78 7.154 8.727 9.072 614 HE22 GLN 78 1HE2 GLN 78 5.857 9.405 10.062 615 H LEU 79 H LEU 79 3.147 4.553 6.160 616 HA LEU 79 HA LEU 79 0.745 5.334 4.587 617 HB2 LEU 79 2HB LEU 79 1.923 2.676 5.498 618 HB3 LEU 79 3HB LEU 79 0.372 2.799 4.689 619 HG LEU 79 HG LEU 79 2.829 3.906 3.311 620 HD11 LEU 79 1HD1 LEU 79 2.019 0.979 3.167 621 HD12 LEU 79 2HD1 LEU 79 3.311 1.786 2.260 622 HD13 LEU 79 3HD1 LEU 79 3.441 1.578 4.014 623 HD21 LEU 79 3HD2 LEU 79 1.604 3.428 1.323 624 HD22 LEU 79 1HD2 LEU 79 0.440 2.409 2.188 625 HD23 LEU 79 2HD2 LEU 79 0.453 4.154 2.454 626 H LYS 80 H LYS 80 -1.310 5.371 5.372 627 HA LYS 80 HA LYS 80 -1.872 5.528 8.158 628 HB2 LYS 80 2HB LYS 80 -3.863 4.779 5.972 629 HB3 LYS 80 3HB LYS 80 -4.249 5.313 7.606 630 HG2 LYS 80 2HG LYS 80 -3.012 7.449 7.114 631 HG3 LYS 80 3HG LYS 80 -2.933 6.938 5.415 632 HD2 LYS 80 2HD LYS 80 -5.446 7.432 7.087 633 HD3 LYS 80 3HD LYS 80 -4.783 8.531 5.874 634 HE2 LYS 80 2HE LYS 80 -5.191 6.863 4.098 635 HE3 LYS 80 3HE LYS 80 -5.818 5.719 5.298 636 HZ1 LYS 80 3HZ LYS 80 -7.607 7.292 5.782 637 HZ2 LYS 80 1HZ LYS 80 -7.037 8.360 4.685 638 HZ3 LYS 80 2HZ LYS 80 -7.620 6.914 4.195 639 H GLY 81 H GLY 81 -2.482 4.119 9.680 640 HA2 GLY 81 2HA GLY 81 -2.964 2.141 10.767 641 HA3 GLY 81 3HA GLY 81 -3.536 1.491 9.227 642 H PHE 82 H PHE 82 -0.240 2.474 8.974 643 HA PHE 82 HA PHE 82 0.726 -0.105 8.354 644 HB2 PHE 82 2HB PHE 82 1.845 1.760 7.495 645 HB3 PHE 82 3HB PHE 82 1.945 2.565 9.050 646 HD1 PHE 82 HD2 PHE 82 3.579 0.043 6.863 647 HD2 PHE 82 HD1 PHE 82 3.647 2.113 10.650 648 HE1 PHE 82 HE2 PHE 82 5.950 -0.610 7.187 649 HE2 PHE 82 HE1 PHE 82 6.012 1.426 10.970 650 HZ PHE 82 HZ PHE 82 7.164 0.088 9.236 651 H SER 83 H SER 83 1.047 1.732 11.431 652 HA SER 83 HA SER 83 2.553 -0.185 12.860 653 HB2 SER 83 2HB SER 83 0.497 1.800 13.894 654 HB3 SER 83 3HB SER 83 1.824 1.071 14.834 655 HG SER 83 HG SER 83 3.241 2.064 13.174 656 H LEU 84 H LEU 84 -0.862 -0.256 12.063 657 HA LEU 84 HA LEU 84 -1.647 -2.059 14.187 658 HB2 LEU 84 2HB LEU 84 -2.952 -0.194 12.702 659 HB3 LEU 84 3HB LEU 84 -3.250 -1.592 11.681 660 HG LEU 84 HG LEU 84 -4.248 -2.750 13.734 661 HD11 LEU 84 1HD1 LEU 84 -4.946 -1.218 15.592 662 HD12 LEU 84 2HD1 LEU 84 -3.188 -1.390 15.509 663 HD13 LEU 84 3HD1 LEU 84 -3.953 0.073 14.868 664 HD21 LEU 84 3HD2 LEU 84 -6.346 -1.446 13.621 665 HD22 LEU 84 1HD2 LEU 84 -5.471 -0.100 12.850 666 HD23 LEU 84 2HD2 LEU 84 -5.635 -1.657 12.011 667 H LEU 85 H LEU 85 -0.034 -2.558 11.205 668 HA LEU 85 HA LEU 85 -1.063 -5.209 10.614 669 HB2 LEU 85 2HB LEU 85 1.336 -3.598 9.706 670 HB3 LEU 85 3HB LEU 85 1.228 -5.297 9.338 671 HG LEU 85 HG LEU 85 -0.809 -5.026 8.072 672 HD11 LEU 85 1HD1 LEU 85 -0.612 -2.058 8.664 673 HD12 LEU 85 2HD1 LEU 85 -1.682 -2.797 7.455 674 HD13 LEU 85 3HD1 LEU 85 -1.924 -3.146 9.167 675 HD21 LEU 85 3HD2 LEU 85 1.295 -2.986 7.280 676 HD22 LEU 85 1HD2 LEU 85 1.364 -4.733 6.958 677 HD23 LEU 85 2HD2 LEU 85 0.106 -3.748 6.198 678 H ALA 86 H ALA 86 0.482 -7.137 10.585 679 HA ALA 86 HA ALA 86 1.568 -7.692 13.234 680 HB1 ALA 86 1HB ALA 86 0.622 -9.459 11.745 681 HB2 ALA 86 2HB ALA 86 1.953 -9.172 10.598 682 HB3 ALA 86 3HB ALA 86 2.301 -9.789 12.224 683 H THR 87 H THR 87 3.739 -7.650 13.853 684 HA THR 87 HA THR 87 5.256 -5.520 12.843 685 HB THR 87 HB THR 87 6.191 -7.803 14.566 686 HG1 THR 87 1HG THR 87 5.405 -6.472 16.219 687 HG21 THR 87 1HG2 THR 87 8.089 -6.341 13.918 688 HG22 THR 87 2HG2 THR 87 7.147 -4.898 14.359 689 HG23 THR 87 3HG2 THR 87 7.660 -6.055 15.610 690 H GLU 88 H GLU 88 5.607 -8.968 12.043 691 HA GLU 88 HA GLU 88 8.009 -8.742 10.512 692 HB2 GLU 88 2HB GLU 88 7.342 -10.810 9.464 693 HB3 GLU 88 3HB GLU 88 7.046 -10.874 11.200 694 HG2 GLU 88 2HG GLU 88 4.608 -10.385 10.753 695 HG3 GLU 88 3HG GLU 88 4.949 -10.467 9.022 696 H ASP 89 H ASP 89 4.675 -7.772 9.685 697 HA ASP 89 HA ASP 89 5.448 -7.198 6.889 698 HB2 ASP 89 2HB ASP 89 2.849 -6.764 8.377 699 HB3 ASP 89 3HB ASP 89 3.140 -6.335 6.694 700 H LYS 90 H LYS 90 4.963 -5.356 9.927 701 HA LYS 90 HA LYS 90 5.432 -2.736 8.762 702 HB2 LYS 90 2HB LYS 90 5.950 -3.835 11.553 703 HB3 LYS 90 3HB LYS 90 6.395 -2.203 11.089 704 HG2 LYS 90 2HG LYS 90 4.342 -1.448 11.470 705 HG3 LYS 90 3HG LYS 90 3.726 -2.496 10.200 706 HD2 LYS 90 2HD LYS 90 2.442 -2.989 12.097 707 HD3 LYS 90 3HD LYS 90 3.542 -4.341 11.899 708 HE2 LYS 90 2HE LYS 90 5.018 -3.223 13.706 709 HE3 LYS 90 3HE LYS 90 3.703 -2.065 13.912 710 HZ1 LYS 90 3HZ LYS 90 3.121 -3.636 15.466 711 HZ2 LYS 90 1HZ LYS 90 2.304 -4.244 14.184 712 HZ3 LYS 90 2HZ LYS 90 3.748 -4.898 14.654 713 H GLU 91 H GLU 91 7.696 -5.286 9.746 714 HA GLU 91 HA GLU 91 10.040 -3.695 8.982 715 HB2 GLU 91 2HB GLU 91 9.680 -6.674 9.466 716 HB3 GLU 91 3HB GLU 91 11.224 -5.900 9.107 717 HG2 GLU 91 2HG GLU 91 9.478 -5.277 11.533 718 HG3 GLU 91 3HG GLU 91 10.893 -6.317 11.528 719 H ALA 92 H ALA 92 8.227 -6.367 7.331 720 HA ALA 92 HA ALA 92 9.900 -6.362 5.061 721 HB1 ALA 92 1HB ALA 92 6.986 -7.193 5.252 722 HB2 ALA 92 2HB ALA 92 8.140 -7.664 3.987 723 HB3 ALA 92 3HB ALA 92 8.402 -8.202 5.654 724 H LEU 93 H LEU 93 6.972 -4.345 5.639 725 HA LEU 93 HA LEU 93 6.856 -3.322 2.950 726 HB2 LEU 93 2HB LEU 93 5.812 -2.315 5.616 727 HB3 LEU 93 3HB LEU 93 5.555 -1.438 4.111 728 HG LEU 93 HG LEU 93 4.586 -4.286 4.564 729 HD11 LEU 93 1HD1 LEU 93 3.127 -1.606 4.651 730 HD12 LEU 93 2HD1 LEU 93 2.371 -3.208 4.777 731 HD13 LEU 93 3HD1 LEU 93 3.477 -2.659 6.043 732 HD21 LEU 93 3HD2 LEU 93 4.051 -2.248 2.355 733 HD22 LEU 93 1HD2 LEU 93 4.916 -3.793 2.180 734 HD23 LEU 93 2HD2 LEU 93 3.196 -3.790 2.552 735 H LYS 94 H LYS 94 8.670 -2.139 5.831 736 HA LYS 94 HA LYS 94 9.818 0.119 4.425 737 HB2 LYS 94 2HB LYS 94 10.773 -1.430 6.872 738 HB3 LYS 94 3HB LYS 94 11.515 0.047 6.244 739 HG2 LYS 94 2HG LYS 94 9.277 1.210 6.540 740 HG3 LYS 94 3HG LYS 94 8.709 -0.222 7.396 741 HD2 LYS 94 2HD LYS 94 11.038 1.588 8.158 742 HD3 LYS 94 3HD LYS 94 9.482 1.509 8.975 743 HE2 LYS 94 2HE LYS 94 11.385 -0.865 8.827 744 HE3 LYS 94 3HE LYS 94 11.460 0.352 10.101 745 HZ1 LYS 94 3HZ LYS 94 10.123 -1.581 10.725 746 HZ2 LYS 94 1HZ LYS 94 9.257 -0.178 10.779 747 HZ3 LYS 94 2HZ LYS 94 9.040 -1.255 9.533 748 H LYS 95 H LYS 95 10.878 -3.293 4.936 749 HA LYS 95 HA LYS 95 13.355 -3.005 3.561 750 HB2 LYS 95 2HB LYS 95 11.539 -5.410 3.949 751 HB3 LYS 95 3HB LYS 95 13.098 -5.549 3.177 752 HG2 LYS 95 2HG LYS 95 12.752 -4.399 5.981 753 HG3 LYS 95 3HG LYS 95 12.988 -6.112 5.670 754 HD2 LYS 95 2HD LYS 95 14.959 -3.919 4.882 755 HD3 LYS 95 3HD LYS 95 15.057 -4.919 6.336 756 HE2 LYS 95 2HE LYS 95 15.148 -6.970 4.912 757 HE3 LYS 95 3HE LYS 95 15.142 -5.953 3.467 758 HZ1 LYS 95 3HZ LYS 95 17.235 -4.958 4.237 759 HZ2 LYS 95 1HZ LYS 95 17.242 -5.905 5.570 760 HZ3 LYS 95 2HZ LYS 95 17.402 -6.574 4.092 761 H GLN 96 H GLN 96 10.179 -3.295 2.221 762 HA GLN 96 HA GLN 96 11.137 -3.791 -0.538 763 HB2 GLN 96 2HB GLN 96 8.403 -3.727 0.787 764 HB3 GLN 96 3HB GLN 96 8.640 -3.975 -0.944 765 HG2 GLN 96 2HG GLN 96 9.861 -6.010 -0.625 766 HG3 GLN 96 3HG GLN 96 9.939 -5.790 1.116 767 HE21 GLN 96 2HE2 GLN 96 9.031 -8.158 0.649 768 HE22 GLN 96 1HE2 GLN 96 7.276 -8.247 0.718 769 H LEU 97 H LEU 97 9.460 -1.253 1.340 770 HA LEU 97 HA LEU 97 10.043 0.744 -0.804 771 HB2 LEU 97 2HB LEU 97 7.580 -0.005 -0.345 772 HB3 LEU 97 3HB LEU 97 7.743 0.834 1.152 773 HG LEU 97 HG LEU 97 6.691 2.426 -0.073 774 HD11 LEU 97 1HD1 LEU 97 8.189 4.156 -1.030 775 HD12 LEU 97 2HD1 LEU 97 8.645 3.640 0.593 776 HD13 LEU 97 3HD1 LEU 97 9.557 3.059 -0.821 777 HD21 LEU 97 3HD2 LEU 97 6.608 1.092 -2.126 778 HD22 LEU 97 1HD2 LEU 97 6.868 2.798 -2.446 779 HD23 LEU 97 2HD2 LEU 97 8.244 1.659 -2.560 780 HA PRO 98 HA PRO 98 12.000 1.748 3.292 781 HB2 PRO 98 2HB PRO 98 14.693 1.799 2.643 782 HB3 PRO 98 3HB PRO 98 13.807 0.323 3.082 783 HG2 PRO 98 2HG PRO 98 14.536 1.330 0.333 784 HG3 PRO 98 3HG PRO 98 14.527 -0.357 0.959 785 HD2 PRO 98 2HD PRO 98 12.516 0.688 -0.609 786 HD3 PRO 98 3HD PRO 98 12.306 -0.608 0.600 787 H GLY 99 H GLY 99 12.750 3.766 4.090 788 HA2 GLY 99 2HA GLY 99 14.161 5.664 2.336 789 HA3 GLY 99 3HA GLY 99 12.643 6.224 3.027 790 H VAL 100 H VAL 100 13.256 7.666 4.578 791 HA VAL 100 HA VAL 100 15.167 6.798 6.694 792 HB VAL 100 HB VAL 100 16.216 8.427 5.204 793 HG11 VAL 100 1HG1 VAL 100 14.286 9.781 4.510 794 HG12 VAL 100 2HG1 VAL 100 14.116 10.418 6.162 795 HG13 VAL 100 3HG1 VAL 100 15.562 10.785 5.203 796 HG21 VAL 100 3HG2 VAL 100 15.734 9.608 7.965 797 HG22 VAL 100 1HG2 VAL 100 16.858 8.276 7.595 798 HG23 VAL 100 2HG2 VAL 100 17.115 9.878 6.895 799 H LYS 101 H LYS 101 14.689 7.367 8.802 800 HA LYS 101 HA LYS 101 11.932 7.306 9.490 801 HB2 LYS 101 2HB LYS 101 12.701 7.279 11.788 802 HB3 LYS 101 3HB LYS 101 13.738 6.261 10.791 803 HG2 LYS 101 2HG LYS 101 15.421 8.151 10.700 804 HG3 LYS 101 3HG LYS 101 14.387 9.074 11.804 805 HD2 LYS 101 2HD LYS 101 14.621 7.290 13.516 806 HD3 LYS 101 3HD LYS 101 15.637 6.356 12.394 807 HE2 LYS 101 2HE LYS 101 17.227 8.309 12.292 808 HE3 LYS 101 3HE LYS 101 16.257 9.126 13.523 809 HZ1 LYS 101 3HZ LYS 101 17.660 6.526 13.883 810 HZ2 LYS 101 1HZ LYS 101 18.136 7.950 14.514 811 HZ3 LYS 101 2HZ LYS 101 16.754 7.251 15.032 812 H SER 102 H SER 102 13.744 10.061 8.797 813 HA SER 102 HA SER 102 13.529 12.280 8.967 814 HB2 SER 102 2HB SER 102 11.211 11.833 8.191 815 HB3 SER 102 3HB SER 102 10.671 11.891 9.882 816 HG SER 102 HG SER 102 10.486 13.925 8.795 817 H GLU 103 H GLU 103 12.095 10.767 11.903 818 HA GLU 103 HA GLU 103 14.061 12.205 13.542 819 HB2 GLU 103 2HB GLU 103 11.427 13.244 13.315 820 HB3 GLU 103 3HB GLU 103 11.428 12.385 14.846 821 HG2 GLU 103 2HG GLU 103 13.489 14.486 14.019 822 HG3 GLU 103 3HG GLU 103 12.040 14.821 14.959 823 H GLY 104 H GLY 104 14.279 11.335 15.688 824 HA2 GLY 104 2HA GLY 104 14.142 8.456 15.776 825 HA3 GLY 104 3HA GLY 104 14.744 9.537 17.032 826 H LYS 105 H LYS 105 11.460 10.116 16.072 827 HA LYS 105 HA LYS 105 10.478 9.136 18.699 828 HB2 LYS 105 2HB LYS 105 9.183 10.922 16.598 829 HB3 LYS 105 3HB LYS 105 8.455 10.461 18.142 830 HG2 LYS 105 2HG LYS 105 10.432 11.481 19.329 831 HG3 LYS 105 3HG LYS 105 10.995 12.096 17.764 832 HD2 LYS 105 2HD LYS 105 8.877 13.385 17.509 833 HD3 LYS 105 3HD LYS 105 8.287 12.700 19.028 834 HE2 LYS 105 2HE LYS 105 9.040 14.822 19.650 835 HE3 LYS 105 3HE LYS 105 10.317 13.725 20.180 836 HZ1 LYS 105 3HZ LYS 105 11.244 15.657 19.061 837 HZ2 LYS 105 1HZ LYS 105 11.568 14.355 18.134 838 HZ3 LYS 105 2HZ LYS 105 10.370 15.386 17.713 839 H ARG 106 H ARG 106 10.649 7.808 15.640 840 HA ARG 106 HA ARG 106 8.073 6.445 15.565 841 HB2 ARG 106 2HB ARG 106 10.674 6.070 14.031 842 HB3 ARG 106 3HB ARG 106 9.246 5.092 13.735 843 HG2 ARG 106 2HG ARG 106 9.360 8.132 13.466 844 HG3 ARG 106 3HG ARG 106 9.498 6.987 12.137 845 HD2 ARG 106 2HD ARG 106 7.032 7.347 13.902 846 HD3 ARG 106 3HD ARG 106 7.256 7.966 12.267 847 HE ARG 106 HE ARG 106 7.560 5.031 12.601 848 HH11 ARG 106 1HH2 ARG 106 5.298 7.552 11.503 849 HH12 ARG 106 2HH2 ARG 106 4.529 6.391 10.438 850 HH21 ARG 106 1HH1 ARG 106 6.511 3.770 11.386 851 HH22 ARG 106 2HH1 ARG 106 5.149 4.334 10.387 852 H LYS 107 H LYS 107 11.092 5.627 17.140 853 HA LYS 107 HA LYS 107 10.534 2.826 17.529 854 HB2 LYS 107 2HB LYS 107 12.157 2.860 19.306 855 HB3 LYS 107 3HB LYS 107 12.765 3.749 17.911 856 HG2 LYS 107 2HG LYS 107 12.224 5.895 19.035 857 HG3 LYS 107 3HG LYS 107 11.593 5.011 20.436 858 HD2 LYS 107 2HD LYS 107 13.795 3.976 20.809 859 HD3 LYS 107 3HD LYS 107 14.475 4.855 19.434 860 HE2 LYS 107 2HE LYS 107 13.158 6.224 21.824 861 HE3 LYS 107 3HE LYS 107 14.875 5.814 21.793 862 HZ1 LYS 107 3HZ LYS 107 14.453 8.105 21.056 863 HZ2 LYS 107 1HZ LYS 107 15.168 7.234 19.878 864 HZ3 LYS 107 2HZ LYS 107 13.575 7.579 19.778 865 H GLY 108 H GLY 108 9.475 1.722 19.143 866 HA2 GLY 108 2HA GLY 108 7.810 1.319 20.723 867 HA3 GLY 108 3HA GLY 108 7.892 3.017 21.210 868 H ASP 109 H ASP 109 7.258 4.268 18.769 869 HA ASP 109 HA ASP 109 4.406 4.196 18.834 870 HB2 ASP 109 2HB ASP 109 5.714 6.207 18.481 871 HB3 ASP 109 3HB ASP 109 6.410 5.551 17.001 872 H GLU 110 H GLU 110 6.679 2.768 16.490 873 HA GLU 110 HA GLU 110 4.333 1.348 15.283 874 HB2 GLU 110 2HB GLU 110 5.591 0.965 13.315 875 HB3 GLU 110 3HB GLU 110 5.728 2.678 13.709 876 HG2 GLU 110 2HG GLU 110 7.997 2.192 14.729 877 HG3 GLU 110 3HG GLU 110 7.832 0.516 14.216 878 H VAL 111 H VAL 111 6.861 0.869 17.450 879 HA VAL 111 HA VAL 111 7.233 -2.006 16.872 880 HB VAL 111 HB VAL 111 8.593 -0.417 19.067 881 HG11 VAL 111 1HG1 VAL 111 8.745 -2.910 19.233 882 HG12 VAL 111 2HG1 VAL 111 9.362 -2.973 17.570 883 HG13 VAL 111 3HG1 VAL 111 10.308 -2.185 18.852 884 HG21 VAL 111 3HG2 VAL 111 9.517 -0.860 16.196 885 HG22 VAL 111 1HG2 VAL 111 9.140 0.704 16.943 886 HG23 VAL 111 2HG2 VAL 111 10.527 -0.228 17.512 887 H ASP 112 H ASP 112 4.824 -1.944 17.257 888 HA ASP 112 HA ASP 112 4.102 -2.744 20.038 889 HB2 ASP 112 2HB ASP 112 3.615 -0.336 19.760 890 HB3 ASP 112 3HB ASP 112 2.664 -0.679 18.323 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -7.436 5.408 22.385 2 H2 GLY 1 H2 GLY 1 -7.079 6.599 21.317 3 H3 GLY 1 H3 GLY 1 -7.186 6.938 22.915 4 HA2 GLY 1 2HA GLY 1 -5.261 5.583 23.403 5 HA3 GLY 1 3HA GLY 1 -5.155 5.192 21.678 6 H SER 2 H SER 2 -3.227 6.573 23.520 7 HA SER 2 HA SER 2 -3.134 9.368 22.656 8 HB2 SER 2 2HB SER 2 -1.129 9.428 24.119 9 HB3 SER 2 3HB SER 2 -2.582 8.820 24.929 10 HG SER 2 HG SER 2 -0.734 7.517 25.364 11 H LYS 3 H LYS 3 -1.777 6.428 21.441 12 HA LYS 3 HA LYS 3 0.621 7.506 20.226 13 HB2 LYS 3 2HB LYS 3 -0.970 4.966 19.666 14 HB3 LYS 3 3HB LYS 3 0.595 5.352 18.938 15 HG2 LYS 3 2HG LYS 3 1.667 5.398 21.153 16 HG3 LYS 3 3HG LYS 3 0.114 5.109 21.943 17 HD2 LYS 3 2HD LYS 3 1.337 3.048 21.897 18 HD3 LYS 3 3HD LYS 3 -0.062 2.903 20.826 19 HE2 LYS 3 2HE LYS 3 1.401 3.309 18.857 20 HE3 LYS 3 3HE LYS 3 2.795 3.513 19.928 21 HZ1 LYS 3 3HZ LYS 3 1.209 1.012 19.651 22 HZ2 LYS 3 1HZ LYS 3 2.695 1.261 19.024 23 HZ3 LYS 3 2HZ LYS 3 2.495 1.198 20.642 24 H ALA 4 H ALA 4 1.082 7.938 18.068 25 HA ALA 4 HA ALA 4 -1.137 8.239 16.133 26 HB1 ALA 4 1HB ALA 4 0.703 10.528 16.957 27 HB2 ALA 4 2HB ALA 4 -0.486 10.567 15.636 28 HB3 ALA 4 3HB ALA 4 -1.035 10.399 17.316 29 H GLU 5 H GLU 5 -0.580 7.947 14.060 30 HA GLU 5 HA GLU 5 2.126 6.991 13.392 31 HB2 GLU 5 2HB GLU 5 -0.427 7.167 11.751 32 HB3 GLU 5 3HB GLU 5 1.100 6.469 11.191 33 HG2 GLU 5 2HG GLU 5 1.025 4.796 13.017 34 HG3 GLU 5 3HG GLU 5 -0.535 5.437 13.549 35 H LYS 6 H LYS 6 3.338 7.773 11.607 36 HA LYS 6 HA LYS 6 3.318 10.739 11.471 37 HB2 LYS 6 2HB LYS 6 5.457 8.629 11.030 38 HB3 LYS 6 3HB LYS 6 5.694 10.310 10.576 39 HG2 LYS 6 2HG LYS 6 6.696 9.926 12.715 40 HG3 LYS 6 3HG LYS 6 5.367 11.077 12.860 41 HD2 LYS 6 2HD LYS 6 3.939 9.386 13.882 42 HD3 LYS 6 3HD LYS 6 5.162 8.121 13.592 43 HE2 LYS 6 2HE LYS 6 6.706 9.340 15.122 44 HE3 LYS 6 3HE LYS 6 5.473 10.586 15.361 45 HZ1 LYS 6 3HZ LYS 6 5.386 9.019 17.153 46 HZ2 LYS 6 1HZ LYS 6 4.007 8.812 16.262 47 HZ3 LYS 6 2HZ LYS 6 5.233 7.737 16.148 48 H THR 7 H THR 7 1.608 8.883 9.774 49 HA THR 7 HA THR 7 2.293 8.681 7.140 50 HB THR 7 HB THR 7 -0.454 9.459 8.101 51 HG1 THR 7 1HG THR 7 -0.722 7.365 8.679 52 HG21 THR 7 1HG2 THR 7 0.270 8.837 5.489 53 HG22 THR 7 2HG2 THR 7 -0.174 7.283 6.110 54 HG23 THR 7 3HG2 THR 7 -1.317 8.652 6.186 55 H LEU 8 H LEU 8 2.211 9.831 5.293 56 HA LEU 8 HA LEU 8 2.208 12.747 5.468 57 HB2 LEU 8 2HB LEU 8 2.931 12.840 3.333 58 HB3 LEU 8 3HB LEU 8 3.535 11.274 3.835 59 HG LEU 8 HG LEU 8 1.088 11.816 2.084 60 HD11 LEU 8 1HD1 LEU 8 3.760 10.549 1.400 61 HD12 LEU 8 2HD1 LEU 8 2.400 10.829 0.295 62 HD13 LEU 8 3HD1 LEU 8 3.273 12.206 0.988 63 HD21 LEU 8 3HD2 LEU 8 2.312 9.183 2.977 64 HD22 LEU 8 1HD2 LEU 8 0.686 9.751 3.357 65 HD23 LEU 8 2HD2 LEU 8 1.098 9.356 1.690 66 H GLY 9 H GLY 9 -0.442 10.633 5.244 67 HA2 GLY 9 2HA GLY 9 -2.699 11.153 5.236 68 HA3 GLY 9 3HA GLY 9 -2.329 12.830 4.842 69 H ASP 10 H ASP 10 -1.192 10.080 2.847 70 HA ASP 10 HA ASP 10 -3.246 10.670 0.816 71 HB2 ASP 10 2HB ASP 10 -0.830 11.953 0.654 72 HB3 ASP 10 3HB ASP 10 -0.489 10.487 -0.274 73 H PHE 11 H PHE 11 -1.208 8.254 2.274 74 HA PHE 11 HA PHE 11 -2.595 6.270 0.634 75 HB2 PHE 11 2HB PHE 11 -0.358 4.995 0.338 76 HB3 PHE 11 3HB PHE 11 -0.870 6.214 -0.774 77 HD1 PHE 11 HD2 PHE 11 1.288 6.106 2.366 78 HD2 PHE 11 HD1 PHE 11 0.716 7.584 -1.651 79 HE1 PHE 11 HE2 PHE 11 3.591 7.003 2.360 80 HE2 PHE 11 HE1 PHE 11 2.994 8.555 -1.611 81 HZ PHE 11 HZ PHE 11 4.443 8.241 0.386 82 H ALA 12 H ALA 12 -2.567 4.124 1.411 83 HA ALA 12 HA ALA 12 -2.327 3.916 4.371 84 HB1 ALA 12 1HB ALA 12 -4.652 3.176 4.482 85 HB2 ALA 12 2HB ALA 12 -4.582 4.780 3.719 86 HB3 ALA 12 3HB ALA 12 -4.817 3.332 2.725 87 H ALA 13 H ALA 13 -2.539 1.794 5.213 88 HA ALA 13 HA ALA 13 -2.039 -0.497 3.367 89 HB1 ALA 13 1HB ALA 13 -0.489 0.244 5.893 90 HB2 ALA 13 2HB ALA 13 -0.188 -1.158 4.829 91 HB3 ALA 13 3HB ALA 13 0.069 0.496 4.230 92 H GLU 14 H GLU 14 -2.923 -2.445 3.985 93 HA GLU 14 HA GLU 14 -4.236 -2.842 6.607 94 HB2 GLU 14 2HB GLU 14 -5.706 -1.447 4.888 95 HB3 GLU 14 3HB GLU 14 -5.856 -2.986 4.042 96 HG2 GLU 14 2HG GLU 14 -6.812 -3.953 6.206 97 HG3 GLU 14 3HG GLU 14 -6.676 -2.349 6.913 98 H TYR 15 H TYR 15 -5.194 -5.154 6.686 99 HA TYR 15 HA TYR 15 -4.057 -7.041 4.685 100 HB2 TYR 15 2HB TYR 15 -6.063 -7.571 6.877 101 HB3 TYR 15 3HB TYR 15 -5.197 -8.758 5.913 102 HD1 TYR 15 HD2 TYR 15 -2.349 -7.655 6.069 103 HD2 TYR 15 HD1 TYR 15 -5.447 -8.081 9.054 104 HE1 TYR 15 HE2 TYR 15 -0.615 -7.935 7.837 105 HE2 TYR 15 HE1 TYR 15 -3.718 -8.323 10.808 106 HH TYR 15 HH TYR 15 -1.516 -8.511 11.263 107 H ALA 16 H ALA 16 -5.191 -7.972 3.063 108 HA ALA 16 HA ALA 16 -7.525 -6.711 2.005 109 HB1 ALA 16 1HB ALA 16 -6.150 -9.320 1.394 110 HB2 ALA 16 2HB ALA 16 -7.350 -8.533 0.335 111 HB3 ALA 16 3HB ALA 16 -5.779 -7.754 0.656 112 H LYS 17 H LYS 17 -9.440 -6.804 2.960 113 HA LYS 17 HA LYS 17 -10.338 -8.998 4.627 114 HB2 LYS 17 2HB LYS 17 -11.589 -6.403 3.655 115 HB3 LYS 17 3HB LYS 17 -12.458 -7.539 4.696 116 HG2 LYS 17 2HG LYS 17 -10.888 -7.333 6.473 117 HG3 LYS 17 3HG LYS 17 -9.707 -6.490 5.465 118 HD2 LYS 17 2HD LYS 17 -11.105 -4.524 5.307 119 HD3 LYS 17 3HD LYS 17 -12.431 -5.331 6.178 120 HE2 LYS 17 2HE LYS 17 -11.148 -5.467 8.206 121 HE3 LYS 17 3HE LYS 17 -9.653 -5.008 7.380 122 HZ1 LYS 17 3HZ LYS 17 -10.691 -3.162 8.643 123 HZ2 LYS 17 1HZ LYS 17 -10.457 -2.813 7.067 124 HZ3 LYS 17 2HZ LYS 17 -11.971 -3.172 7.622 125 H SER 18 H SER 18 -10.787 -8.372 1.231 126 HA SER 18 HA SER 18 -11.930 -11.032 0.968 127 HB2 SER 18 2HB SER 18 -13.958 -9.526 1.285 128 HB3 SER 18 3HB SER 18 -13.530 -8.754 -0.258 129 HG SER 18 HG SER 18 -15.037 -10.583 -0.374 130 H ASN 19 H ASN 19 -11.878 -11.816 -1.209 131 HA ASN 19 HA ASN 19 -9.706 -10.727 -2.835 132 HB2 ASN 19 2HB ASN 19 -9.920 -13.150 -2.331 133 HB3 ASN 19 3HB ASN 19 -11.480 -13.168 -3.174 134 HD21 ASN 19 2HD2 ASN 19 -8.258 -11.740 -4.133 135 HD22 ASN 19 1HD2 ASN 19 -8.177 -12.726 -5.586 136 H ARG 20 H ARG 20 -11.950 -9.000 -2.688 137 HA ARG 20 HA ARG 20 -13.019 -9.020 -5.494 138 HB2 ARG 20 2HB ARG 20 -14.151 -7.678 -3.013 139 HB3 ARG 20 3HB ARG 20 -14.837 -7.571 -4.631 140 HG2 ARG 20 2HG ARG 20 -14.616 -10.128 -2.975 141 HG3 ARG 20 3HG ARG 20 -16.046 -9.128 -3.161 142 HD2 ARG 20 2HD ARG 20 -16.384 -10.944 -4.591 143 HD3 ARG 20 3HD ARG 20 -15.968 -9.591 -5.657 144 HE ARG 20 HE ARG 20 -13.559 -10.937 -5.070 145 HH11 ARG 20 1HH2 ARG 20 -16.489 -11.831 -6.770 146 HH12 ARG 20 2HH2 ARG 20 -15.636 -12.958 -7.791 147 HH21 ARG 20 1HH1 ARG 20 -12.557 -12.306 -6.347 148 HH22 ARG 20 2HH1 ARG 20 -13.431 -13.246 -7.537 149 H SER 21 H SER 21 -11.323 -7.065 -3.116 150 HA SER 21 HA SER 21 -11.037 -4.716 -4.757 151 HB2 SER 21 2HB SER 21 -9.257 -4.053 -3.261 152 HB3 SER 21 3HB SER 21 -10.649 -4.647 -2.357 153 HG SER 21 HG SER 21 -9.363 -6.764 -2.404 154 H THR 22 H THR 22 -9.108 -3.966 -5.895 155 HA THR 22 HA THR 22 -7.636 -6.170 -7.252 156 HB THR 22 HB THR 22 -9.194 -4.038 -8.688 157 HG1 THR 22 1HG THR 22 -10.631 -5.382 -7.712 158 HG21 THR 22 1HG2 THR 22 -8.920 -5.414 -10.687 159 HG22 THR 22 2HG2 THR 22 -7.330 -5.006 -10.031 160 HG23 THR 22 3HG2 THR 22 -8.021 -6.624 -9.758 161 H CYS 23 HN CYS 23 -5.672 -5.680 -7.945 162 HA CYS 23 HA CYS 23 -4.441 -3.255 -6.987 163 HB2 CYS 23 2HB CYS 23 -3.336 -5.352 -6.778 164 HB3 CYS 23 3HB CYS 23 -3.594 -5.719 -8.485 165 H LYS 24 H LYS 24 -4.637 -1.406 -8.065 166 HA LYS 24 HA LYS 24 -4.946 -1.222 -10.978 167 HB2 LYS 24 2HB LYS 24 -4.670 0.728 -8.686 168 HB3 LYS 24 3HB LYS 24 -4.481 1.274 -10.352 169 HG2 LYS 24 2HG LYS 24 -6.746 1.656 -9.773 170 HG3 LYS 24 3HG LYS 24 -6.704 0.359 -10.946 171 HD2 LYS 24 2HD LYS 24 -7.212 -1.302 -9.257 172 HD3 LYS 24 3HD LYS 24 -6.885 -0.155 -7.953 173 HE2 LYS 24 2HE LYS 24 -9.256 -0.438 -8.115 174 HE3 LYS 24 3HE LYS 24 -8.851 1.199 -8.632 175 HZ1 LYS 24 3HZ LYS 24 -9.100 0.458 -10.946 176 HZ2 LYS 24 1HZ LYS 24 -9.445 -1.072 -10.465 177 HZ3 LYS 24 2HZ LYS 24 -10.465 0.149 -10.117 178 H GLY 25 H GLY 25 -2.302 -1.838 -9.015 179 HA2 GLY 25 2HA GLY 25 -0.220 -0.540 -10.598 180 HA3 GLY 25 3HA GLY 25 -0.019 -1.790 -9.369 181 H CYS 26 HN CYS 26 -1.827 -3.707 -10.733 182 HA CYS 26 HA CYS 26 -0.510 -4.154 -13.348 183 HB2 CYS 26 2HB CYS 26 0.162 -6.387 -12.891 184 HB3 CYS 26 3HB CYS 26 0.863 -5.327 -11.671 185 H MET 27 H MET 27 -3.480 -4.032 -11.917 186 HA MET 27 HA MET 27 -5.561 -4.625 -12.488 187 HB2 MET 27 2HB MET 27 -4.408 -5.279 -15.213 188 HB3 MET 27 3HB MET 27 -6.121 -5.218 -14.837 189 HG2 MET 27 2HG MET 27 -4.420 -2.783 -14.310 190 HG3 MET 27 3HG MET 27 -4.932 -3.201 -15.940 191 HE1 MET 27 3HE MET 27 -7.518 -1.371 -12.660 192 HE2 MET 27 1HE MET 27 -6.386 -2.685 -12.274 193 HE3 MET 27 2HE MET 27 -5.779 -1.155 -12.957 194 H GLU 28 H GLU 28 -4.519 -6.380 -10.831 195 HA GLU 28 HA GLU 28 -5.960 -8.843 -11.632 196 HB2 GLU 28 2HB GLU 28 -3.162 -8.894 -10.428 197 HB3 GLU 28 3HB GLU 28 -4.280 -10.258 -10.456 198 HG2 GLU 28 2HG GLU 28 -4.374 -10.036 -12.984 199 HG3 GLU 28 3HG GLU 28 -3.064 -8.856 -12.867 200 H LYS 29 H LYS 29 -6.888 -9.997 -9.831 201 HA LYS 29 HA LYS 29 -7.674 -8.068 -7.806 202 HB2 LYS 29 2HB LYS 29 -8.614 -10.925 -8.061 203 HB3 LYS 29 3HB LYS 29 -9.173 -9.689 -6.908 204 HG2 LYS 29 2HG LYS 29 -9.710 -8.229 -8.921 205 HG3 LYS 29 3HG LYS 29 -9.543 -9.675 -9.916 206 HD2 LYS 29 2HD LYS 29 -11.334 -10.789 -8.726 207 HD3 LYS 29 3HD LYS 29 -11.384 -9.545 -7.472 208 HE2 LYS 29 2HE LYS 29 -12.041 -9.030 -10.400 209 HE3 LYS 29 3HE LYS 29 -13.245 -9.424 -9.169 210 HZ1 LYS 29 3HZ LYS 29 -13.052 -7.022 -9.454 211 HZ2 LYS 29 1HZ LYS 29 -12.553 -7.411 -7.941 212 HZ3 LYS 29 2HZ LYS 29 -11.458 -7.043 -9.077 213 H ILE 30 H ILE 30 -7.266 -7.905 -5.778 214 HA ILE 30 HA ILE 30 -4.746 -8.974 -4.829 215 HB ILE 30 HB ILE 30 -6.845 -7.080 -3.769 216 HG12 ILE 30 2HG1 ILE 30 -3.906 -6.608 -4.465 217 HG13 ILE 30 3HG1 ILE 30 -5.167 -6.545 -5.684 218 HG21 ILE 30 1HG2 ILE 30 -4.240 -7.726 -2.334 219 HG22 ILE 30 2HG2 ILE 30 -5.473 -6.513 -1.901 220 HG23 ILE 30 3HG2 ILE 30 -5.863 -8.218 -1.783 221 HD11 ILE 30 3HD1 ILE 30 -4.970 -4.710 -3.277 222 HD12 ILE 30 1HD1 ILE 30 -4.657 -4.324 -4.980 223 HD13 ILE 30 2HD1 ILE 30 -6.302 -4.727 -4.466 224 H GLU 31 H GLU 31 -4.305 -10.537 -3.316 225 HA GLU 31 HA GLU 31 -6.342 -12.561 -2.942 226 HB2 GLU 31 2HB GLU 31 -3.574 -12.494 -1.709 227 HB3 GLU 31 3HB GLU 31 -4.637 -13.886 -1.922 228 HG2 GLU 31 2HG GLU 31 -4.431 -13.417 -4.458 229 HG3 GLU 31 3HG GLU 31 -3.118 -12.306 -4.010 230 H LYS 32 H LYS 32 -7.467 -13.083 -1.153 231 HA LYS 32 HA LYS 32 -7.794 -11.211 1.021 232 HB2 LYS 32 2HB LYS 32 -9.581 -12.711 0.140 233 HB3 LYS 32 3HB LYS 32 -8.723 -14.106 0.808 234 HG2 LYS 32 2HG LYS 32 -8.995 -13.149 3.104 235 HG3 LYS 32 3HG LYS 32 -9.850 -11.757 2.408 236 HD2 LYS 32 2HD LYS 32 -11.599 -13.288 1.546 237 HD3 LYS 32 3HD LYS 32 -10.712 -14.672 2.224 238 HE2 LYS 32 2HE LYS 32 -10.953 -13.733 4.500 239 HE3 LYS 32 3HE LYS 32 -11.806 -12.330 3.847 240 HZ1 LYS 32 3HZ LYS 32 -13.566 -13.830 3.080 241 HZ2 LYS 32 1HZ LYS 32 -12.777 -15.134 3.677 242 HZ3 LYS 32 2HZ LYS 32 -13.357 -13.994 4.689 243 H GLY 33 H GLY 33 -7.208 -11.322 3.158 244 HA2 GLY 33 2HA GLY 33 -6.136 -11.977 5.086 245 HA3 GLY 33 3HA GLY 33 -5.837 -13.555 4.359 246 H GLN 34 H GLN 34 -4.499 -11.075 2.443 247 HA GLN 34 HA GLN 34 -1.925 -10.974 3.915 248 HB2 GLN 34 2HB GLN 34 -0.626 -11.233 1.896 249 HB3 GLN 34 3HB GLN 34 -1.616 -12.643 2.212 250 HG2 GLN 34 2HG GLN 34 -1.697 -12.339 -0.131 251 HG3 GLN 34 3HG GLN 34 -3.256 -11.811 0.464 252 HE21 GLN 34 1HE2 GLN 34 -3.905 -9.683 -0.149 253 HE22 GLN 34 2HE2 GLN 34 -2.721 -8.452 -0.626 254 H VAL 35 H VAL 35 -0.517 -9.099 2.947 255 HA VAL 35 HA VAL 35 -2.019 -6.773 3.624 256 HB VAL 35 HB VAL 35 0.795 -7.071 2.550 257 HG11 VAL 35 1HG1 VAL 35 -0.537 -4.592 3.734 258 HG12 VAL 35 2HG1 VAL 35 1.208 -4.795 3.469 259 HG13 VAL 35 3HG1 VAL 35 0.122 -4.753 2.091 260 HG21 VAL 35 3HG2 VAL 35 -0.285 -6.542 5.353 261 HG22 VAL 35 1HG2 VAL 35 0.380 -8.088 4.779 262 HG23 VAL 35 2HG2 VAL 35 1.421 -6.671 4.886 263 H ARG 36 H ARG 36 -2.754 -5.041 2.555 264 HA ARG 36 HA ARG 36 -2.262 -4.715 -0.340 265 HB2 ARG 36 2HB ARG 36 -4.543 -4.141 -0.830 266 HB3 ARG 36 3HB ARG 36 -4.429 -5.787 -0.192 267 HG2 ARG 36 2HG ARG 36 -5.351 -5.122 1.943 268 HG3 ARG 36 3HG ARG 36 -5.296 -3.417 1.501 269 HD2 ARG 36 2HD ARG 36 -6.893 -3.857 -0.371 270 HD3 ARG 36 3HD ARG 36 -6.993 -5.544 0.142 271 HE ARG 36 HE ARG 36 -7.610 -3.632 2.288 272 HH11 ARG 36 1HH2 ARG 36 -9.145 -5.228 -0.466 273 HH12 ARG 36 2HH2 ARG 36 -10.720 -5.039 0.256 274 HH21 ARG 36 1HH1 ARG 36 -9.549 -3.410 3.051 275 HH22 ARG 36 2HH1 ARG 36 -10.976 -3.965 2.179 276 H LEU 37 H LEU 37 -2.052 -2.621 -1.011 277 HA LEU 37 HA LEU 37 -2.147 -0.487 1.078 278 HB2 LEU 37 2HB LEU 37 -0.309 -0.495 -1.332 279 HB3 LEU 37 3HB LEU 37 -0.331 0.589 0.081 280 HG LEU 37 HG LEU 37 1.581 -0.619 0.286 281 HD11 LEU 37 1HD1 LEU 37 -0.291 -2.103 2.142 282 HD12 LEU 37 2HD1 LEU 37 1.421 -1.700 2.384 283 HD13 LEU 37 3HD1 LEU 37 0.204 -0.409 2.307 284 HD21 LEU 37 3HD2 LEU 37 0.153 -3.300 0.044 285 HD22 LEU 37 1HD2 LEU 37 1.075 -2.512 -1.254 286 HD23 LEU 37 2HD2 LEU 37 1.877 -2.985 0.260 287 H SER 38 H SER 38 -2.790 1.638 0.342 288 HA SER 38 HA SER 38 -3.845 1.814 -2.402 289 HB2 SER 38 2HB SER 38 -5.937 2.860 -1.710 290 HB3 SER 38 3HB SER 38 -5.807 1.211 -1.107 291 HG SER 38 HG SER 38 -6.532 2.551 0.547 292 H LYS 39 H LYS 39 -4.159 3.904 -3.215 293 HA LYS 39 HA LYS 39 -2.986 6.153 -1.615 294 HB2 LYS 39 2HB LYS 39 -1.546 5.741 -3.502 295 HB3 LYS 39 3HB LYS 39 -2.914 5.789 -4.624 296 HG2 LYS 39 2HG LYS 39 -3.265 8.152 -4.237 297 HG3 LYS 39 3HG LYS 39 -2.088 8.174 -2.904 298 HD2 LYS 39 2HD LYS 39 -0.257 7.727 -4.393 299 HD3 LYS 39 3HD LYS 39 -1.367 7.407 -5.743 300 HE2 LYS 39 2HE LYS 39 -0.623 9.491 -6.287 301 HE3 LYS 39 3HE LYS 39 -2.138 9.863 -5.462 302 HZ1 LYS 39 3HZ LYS 39 0.540 9.944 -4.173 303 HZ2 LYS 39 1HZ LYS 39 -0.232 11.258 -4.766 304 HZ3 LYS 39 2HZ LYS 39 -0.886 10.484 -3.504 305 H LYS 40 H LYS 40 -4.224 7.785 -1.202 306 HA LYS 40 HA LYS 40 -7.011 7.891 -2.221 307 HB2 LYS 40 2HB LYS 40 -6.967 7.812 0.090 308 HB3 LYS 40 3HB LYS 40 -5.674 8.966 0.245 309 HG2 LYS 40 2HG LYS 40 -8.434 9.679 -0.912 310 HG3 LYS 40 3HG LYS 40 -8.105 9.676 0.813 311 HD2 LYS 40 2HD LYS 40 -6.989 11.574 -1.261 312 HD3 LYS 40 3HD LYS 40 -7.964 11.926 0.163 313 HE2 LYS 40 2HE LYS 40 -6.116 11.257 1.649 314 HE3 LYS 40 3HE LYS 40 -5.134 10.823 0.234 315 HZ1 LYS 40 3HZ LYS 40 -6.046 13.595 0.561 316 HZ2 LYS 40 1HZ LYS 40 -4.692 13.019 1.300 317 HZ3 LYS 40 2HZ LYS 40 -4.757 12.977 -0.307 318 H MET 41 H MET 41 -7.260 9.083 -4.024 319 HA MET 41 HA MET 41 -6.195 11.802 -4.149 320 HB2 MET 41 2HB MET 41 -4.925 11.542 -6.226 321 HB3 MET 41 3HB MET 41 -4.198 10.616 -4.917 322 HG2 MET 41 2HG MET 41 -5.173 8.538 -5.805 323 HG3 MET 41 3HG MET 41 -5.996 9.442 -7.080 324 HE1 MET 41 3HE MET 41 -4.234 6.897 -7.522 325 HE2 MET 41 1HE MET 41 -5.090 7.764 -8.824 326 HE3 MET 41 2HE MET 41 -3.369 7.349 -9.012 327 H VAL 42 H VAL 42 -7.398 13.126 -5.671 328 HA VAL 42 HA VAL 42 -9.743 12.189 -6.834 329 HB VAL 42 HB VAL 42 -8.008 14.448 -7.903 330 HG11 VAL 42 1HG1 VAL 42 -10.973 13.835 -8.296 331 HG12 VAL 42 2HG1 VAL 42 -10.169 15.346 -8.775 332 HG13 VAL 42 3HG1 VAL 42 -9.708 13.832 -9.548 333 HG21 VAL 42 3HG2 VAL 42 -9.497 15.922 -6.584 334 HG22 VAL 42 1HG2 VAL 42 -10.306 14.502 -5.896 335 HG23 VAL 42 2HG2 VAL 42 -8.593 14.833 -5.539 336 H ASP 43 H ASP 43 -10.266 11.025 -8.623 337 HA ASP 43 HA ASP 43 -8.251 9.593 -10.076 338 HB2 ASP 43 2HB ASP 43 -10.517 8.739 -9.524 339 HB3 ASP 43 3HB ASP 43 -11.228 9.916 -10.618 340 HA PRO 44 HA PRO 44 -7.593 12.956 -12.947 341 HB2 PRO 44 2HB PRO 44 -5.579 11.903 -14.486 342 HB3 PRO 44 3HB PRO 44 -5.345 12.348 -12.767 343 HG2 PRO 44 2HG PRO 44 -5.997 9.597 -13.897 344 HG3 PRO 44 3HG PRO 44 -4.686 10.036 -12.748 345 HD2 PRO 44 2HD PRO 44 -7.062 9.039 -11.910 346 HD3 PRO 44 3HD PRO 44 -6.202 10.307 -10.981 347 H GLU 45 H GLU 45 -8.902 9.912 -13.915 348 HA GLU 45 HA GLU 45 -9.489 10.880 -16.695 349 HB2 GLU 45 2HB GLU 45 -9.898 8.145 -15.425 350 HB3 GLU 45 3HB GLU 45 -10.351 8.605 -17.069 351 HG2 GLU 45 2HG GLU 45 -7.949 9.158 -17.545 352 HG3 GLU 45 3HG GLU 45 -7.517 8.544 -15.947 353 H LYS 46 H LYS 46 -10.808 10.572 -13.546 354 HA LYS 46 HA LYS 46 -13.478 11.589 -14.463 355 HB2 LYS 46 2HB LYS 46 -12.936 9.499 -12.324 356 HB3 LYS 46 3HB LYS 46 -14.510 10.229 -12.644 357 HG2 LYS 46 2HG LYS 46 -14.648 9.225 -14.830 358 HG3 LYS 46 3HG LYS 46 -13.014 8.568 -14.715 359 HD2 LYS 46 2HD LYS 46 -15.312 7.895 -12.837 360 HD3 LYS 46 3HD LYS 46 -14.808 6.886 -14.204 361 HE2 LYS 46 2HE LYS 46 -13.201 7.538 -11.696 362 HE3 LYS 46 3HE LYS 46 -13.917 5.982 -12.100 363 HZ1 LYS 46 3HZ LYS 46 -11.465 6.256 -12.548 364 HZ2 LYS 46 1HZ LYS 46 -12.323 5.709 -13.858 365 HZ3 LYS 46 2HZ LYS 46 -11.804 7.271 -13.742 366 HA PRO 47 HA PRO 47 -11.376 14.059 -11.113 367 HB2 PRO 47 2HB PRO 47 -11.923 16.454 -12.809 368 HB3 PRO 47 3HB PRO 47 -10.429 15.983 -11.924 369 HG2 PRO 47 2HG PRO 47 -10.578 15.726 -14.626 370 HG3 PRO 47 3HG PRO 47 -9.780 14.474 -13.617 371 HD2 PRO 47 2HD PRO 47 -12.616 14.471 -14.701 372 HD3 PRO 47 3HD PRO 47 -11.370 13.202 -14.806 373 H GLN 48 H GLN 48 -14.494 13.871 -12.304 374 HA GLN 48 HA GLN 48 -15.771 15.931 -10.606 375 HB2 GLN 48 2HB GLN 48 -16.884 13.783 -12.464 376 HB3 GLN 48 3HB GLN 48 -17.856 14.959 -11.569 377 HG2 GLN 48 2HG GLN 48 -16.700 16.825 -12.751 378 HG3 GLN 48 3HG GLN 48 -15.779 15.655 -13.697 379 HE21 GLN 48 2HE2 GLN 48 -17.066 17.325 -15.273 380 HE22 GLN 48 1HE2 GLN 48 -18.550 16.621 -15.904 381 H LEU 49 H LEU 49 -14.811 12.536 -10.421 382 HA LEU 49 HA LEU 49 -16.772 11.607 -8.593 383 HB2 LEU 49 2HB LEU 49 -15.434 10.366 -10.267 384 HB3 LEU 49 3HB LEU 49 -13.946 10.804 -9.413 385 HG LEU 49 HG LEU 49 -14.502 9.442 -7.545 386 HD11 LEU 49 1HD1 LEU 49 -17.088 8.860 -9.056 387 HD12 LEU 49 2HD1 LEU 49 -16.508 7.907 -7.660 388 HD13 LEU 49 3HD1 LEU 49 -16.932 9.612 -7.450 389 HD21 LEU 49 3HD2 LEU 49 -14.944 8.068 -10.226 390 HD22 LEU 49 1HD2 LEU 49 -13.372 8.507 -9.516 391 HD23 LEU 49 2HD2 LEU 49 -14.382 7.265 -8.735 392 H GLY 50 H GLY 50 -13.861 13.496 -8.161 393 HA2 GLY 50 2HA GLY 50 -12.790 14.295 -6.257 394 HA3 GLY 50 3HA GLY 50 -13.995 13.501 -5.242 395 H MET 51 H MET 51 -12.120 12.966 -3.977 396 HA MET 51 HA MET 51 -9.947 11.455 -4.837 397 HB2 MET 51 2HB MET 51 -10.831 11.555 -1.955 398 HB3 MET 51 3HB MET 51 -9.204 11.469 -2.635 399 HG2 MET 51 2HG MET 51 -9.874 13.826 -3.690 400 HG3 MET 51 3HG MET 51 -11.087 13.820 -2.415 401 HE1 MET 51 3HE MET 51 -7.390 13.071 -3.111 402 HE2 MET 51 1HE MET 51 -7.585 14.798 -3.456 403 HE3 MET 51 2HE MET 51 -6.541 14.281 -2.113 404 H ILE 52 H ILE 52 -9.688 9.408 -5.278 405 HA ILE 52 HA ILE 52 -11.646 7.409 -4.306 406 HB ILE 52 HB ILE 52 -10.770 5.933 -6.101 407 HG12 ILE 52 2HG1 ILE 52 -9.540 8.355 -7.440 408 HG13 ILE 52 3HG1 ILE 52 -8.566 7.318 -6.396 409 HG21 ILE 52 1HG2 ILE 52 -11.999 8.540 -7.062 410 HG22 ILE 52 2HG2 ILE 52 -12.059 6.963 -7.879 411 HG23 ILE 52 3HG2 ILE 52 -12.845 7.161 -6.301 412 HD11 ILE 52 3HD1 ILE 52 -10.124 6.282 -8.793 413 HD12 ILE 52 1HD1 ILE 52 -8.400 6.679 -8.776 414 HD13 ILE 52 2HD1 ILE 52 -9.022 5.366 -7.744 415 H ASP 53 H ASP 53 -10.899 5.324 -3.819 416 HA ASP 53 HA ASP 53 -8.233 5.257 -2.411 417 HB2 ASP 53 2HB ASP 53 -10.759 3.625 -1.934 418 HB3 ASP 53 3HB ASP 53 -9.205 3.354 -1.144 419 H ARG 54 H ARG 54 -7.036 4.852 -4.232 420 HA ARG 54 HA ARG 54 -7.688 2.623 -6.051 421 HB2 ARG 54 2HB ARG 54 -6.616 5.049 -6.461 422 HB3 ARG 54 3HB ARG 54 -5.109 4.173 -6.171 423 HG2 ARG 54 2HG ARG 54 -5.452 2.759 -8.044 424 HG3 ARG 54 3HG ARG 54 -7.171 3.231 -8.185 425 HD2 ARG 54 2HD ARG 54 -6.517 5.534 -8.731 426 HD3 ARG 54 3HD ARG 54 -4.815 5.097 -8.615 427 HE ARG 54 HE ARG 54 -6.718 4.373 -10.765 428 HH11 ARG 54 1HH2 ARG 54 -3.403 3.966 -9.617 429 HH12 ARG 54 2HH2 ARG 54 -2.815 3.688 -11.232 430 HH21 ARG 54 1HH1 ARG 54 -5.878 3.901 -12.755 431 HH22 ARG 54 2HH1 ARG 54 -4.182 3.567 -12.927 432 H TRP 55 H TRP 55 -7.155 0.559 -5.505 433 HA TRP 55 HA TRP 55 -5.136 0.088 -3.420 434 HB2 TRP 55 2HB TRP 55 -7.127 -1.770 -4.735 435 HB3 TRP 55 3HB TRP 55 -5.991 -2.243 -3.482 436 HD1 TRP 55 HD1 TRP 55 -9.292 -0.506 -3.970 437 HE1 TRP 55 HE1 TRP 55 -10.349 0.076 -1.710 438 HE3 TRP 55 HE3 TRP 55 -5.327 -1.603 -0.905 439 HZ2 TRP 55 HZ2 TRP 55 -9.557 0.138 1.066 440 HZ3 TRP 55 HZ3 TRP 55 -5.477 -1.154 1.535 441 HH2 TRP 55 HH2 TRP 55 -7.590 -0.325 2.533 442 H TYR 56 H TYR 56 -3.520 -1.458 -3.519 443 HA TYR 56 HA TYR 56 -2.392 -2.392 -6.086 444 HB2 TYR 56 2HB TYR 56 -0.913 -0.731 -4.003 445 HB3 TYR 56 3HB TYR 56 -0.234 -1.377 -5.492 446 HD1 TYR 56 HD2 TYR 56 -1.051 -0.485 -7.702 447 HD2 TYR 56 HD1 TYR 56 -2.089 1.370 -3.974 448 HE1 TYR 56 HE2 TYR 56 -1.782 1.569 -8.938 449 HE2 TYR 56 HE1 TYR 56 -2.838 3.406 -5.195 450 HH TYR 56 HH TYR 56 -2.972 4.454 -7.191 451 H HIS 57 H HIS 57 -0.843 -4.039 -5.835 452 HA HIS 57 HA HIS 57 -0.916 -5.751 -3.461 453 HB2 HIS 57 2HB HIS 57 0.861 -5.846 -5.899 454 HB3 HIS 57 3HB HIS 57 0.962 -7.000 -4.605 455 HD2 HIS 57 HD2 HIS 57 -1.458 -8.383 -4.036 456 HE1 HIS 57 HE1 HIS 57 -2.660 -8.366 -8.117 457 HE2 HIS 57 HE2 HIS 57 -3.001 -9.485 -5.876 458 HA PRO 58 HA PRO 58 2.760 -4.204 -1.257 459 HB2 PRO 58 2HB PRO 58 3.573 -7.105 -1.134 460 HB3 PRO 58 3HB PRO 58 3.556 -5.876 0.175 461 HG2 PRO 58 2HG PRO 58 1.559 -7.684 0.032 462 HG3 PRO 58 3HG PRO 58 1.162 -5.953 0.304 463 HD2 PRO 58 2HD PRO 58 1.097 -7.499 -2.303 464 HD3 PRO 58 3HD PRO 58 -0.146 -6.420 -1.601 465 H GLY 59 H GLY 59 3.262 -6.371 -4.014 466 HA2 GLY 59 2HA GLY 59 6.074 -5.536 -4.400 467 HA3 GLY 59 3HA GLY 59 5.088 -6.512 -5.494 468 H CYS 60 HN CYS 60 2.914 -4.943 -6.019 469 HA CYS 60 HA CYS 60 3.977 -3.327 -8.019 470 HB2 CYS 60 2HB CYS 60 1.110 -3.426 -7.028 471 HB3 CYS 60 3HB CYS 60 1.661 -2.951 -8.643 472 H PHE 61 H PHE 61 2.451 -2.314 -4.919 473 HA PHE 61 HA PHE 61 2.298 0.442 -5.615 474 HB2 PHE 61 2HB PHE 61 1.554 0.780 -3.542 475 HB3 PHE 61 3HB PHE 61 1.428 -0.971 -3.509 476 HD1 PHE 61 HD1 PHE 61 3.275 -2.311 -2.463 477 HD2 PHE 61 HD2 PHE 61 3.136 1.962 -2.182 478 HE1 PHE 61 HE1 PHE 61 4.726 -2.416 -0.429 479 HE2 PHE 61 HE2 PHE 61 4.603 1.882 -0.151 480 HZ PHE 61 HZ PHE 61 5.377 -0.309 0.732 481 H VAL 62 H VAL 62 5.038 -1.451 -4.361 482 HA VAL 62 HA VAL 62 6.887 0.776 -4.247 483 HB VAL 62 HB VAL 62 7.553 -2.165 -4.584 484 HG11 VAL 62 1HG1 VAL 62 9.209 0.190 -3.569 485 HG12 VAL 62 2HG1 VAL 62 9.704 -1.513 -3.532 486 HG13 VAL 62 3HG1 VAL 62 9.477 -0.708 -5.083 487 HG21 VAL 62 3HG2 VAL 62 7.115 -0.450 -2.100 488 HG22 VAL 62 1HG2 VAL 62 6.233 -1.915 -2.591 489 HG23 VAL 62 2HG2 VAL 62 7.902 -2.038 -2.083 490 H LYS 63 H LYS 63 6.025 -1.516 -6.857 491 HA LYS 63 HA LYS 63 7.989 -0.668 -8.740 492 HB2 LYS 63 2HB LYS 63 6.676 -2.734 -8.966 493 HB3 LYS 63 3HB LYS 63 5.190 -1.802 -9.138 494 HG2 LYS 63 2HG LYS 63 5.998 -0.848 -11.276 495 HG3 LYS 63 3HG LYS 63 7.493 -1.774 -11.108 496 HD2 LYS 63 2HD LYS 63 5.953 -2.890 -12.644 497 HD3 LYS 63 3HD LYS 63 6.240 -3.878 -11.219 498 HE2 LYS 63 2HE LYS 63 3.912 -4.005 -11.878 499 HE3 LYS 63 3HE LYS 63 4.036 -3.262 -10.289 500 HZ1 LYS 63 3HZ LYS 63 3.769 -1.659 -12.778 501 HZ2 LYS 63 1HZ LYS 63 2.478 -2.166 -11.922 502 HZ3 LYS 63 2HZ LYS 63 3.522 -1.137 -11.231 503 H ASN 64 H ASN 64 4.767 0.696 -8.044 504 HA ASN 64 HA ASN 64 5.333 2.969 -9.887 505 HB2 ASN 64 2HB ASN 64 2.697 3.292 -9.277 506 HB3 ASN 64 3HB ASN 64 3.375 2.597 -10.724 507 HD21 ASN 64 1HD2 ASN 64 1.770 1.815 -7.646 508 HD22 ASN 64 2HD2 ASN 64 1.305 0.214 -8.216 509 H ARG 65 H ARG 65 6.309 2.519 -6.927 510 HA ARG 65 HA ARG 65 5.219 4.370 -5.230 511 HB2 ARG 65 2HB ARG 65 7.342 4.396 -4.098 512 HB3 ARG 65 3HB ARG 65 7.135 2.810 -4.795 513 HG2 ARG 65 2HG ARG 65 8.556 3.617 -6.782 514 HG3 ARG 65 3HG ARG 65 8.893 5.077 -5.834 515 HD2 ARG 65 2HD ARG 65 9.950 3.810 -4.104 516 HD3 ARG 65 3HD ARG 65 9.492 2.269 -4.848 517 HE ARG 65 HE ARG 65 11.723 4.004 -5.564 518 HH11 ARG 65 1HH2 ARG 65 9.637 1.496 -6.906 519 HH12 ARG 65 2HH2 ARG 65 10.842 1.036 -8.081 520 HH21 ARG 65 1HH1 ARG 65 13.170 3.357 -7.105 521 HH22 ARG 65 2HH1 ARG 65 12.769 2.065 -8.195 522 H GLU 66 H GLU 66 7.315 5.114 -7.946 523 HA GLU 66 HA GLU 66 7.596 7.924 -7.274 524 HB2 GLU 66 2HB GLU 66 8.879 8.036 -9.370 525 HB3 GLU 66 3HB GLU 66 9.432 6.774 -8.261 526 HG2 GLU 66 2HG GLU 66 8.355 5.035 -9.590 527 HG3 GLU 66 3HG GLU 66 7.635 6.241 -10.663 528 H GLU 67 H GLU 67 5.299 6.073 -9.100 529 HA GLU 67 HA GLU 67 4.012 8.413 -10.332 530 HB2 GLU 67 2HB GLU 67 3.998 6.195 -11.440 531 HB3 GLU 67 3HB GLU 67 3.038 5.549 -10.104 532 HG2 GLU 67 2HG GLU 67 1.215 7.117 -10.608 533 HG3 GLU 67 3HG GLU 67 2.191 7.884 -11.865 534 H LEU 68 H LEU 68 3.560 6.196 -7.543 535 HA LEU 68 HA LEU 68 1.263 7.576 -6.460 536 HB2 LEU 68 2HB LEU 68 3.270 5.736 -5.114 537 HB3 LEU 68 3HB LEU 68 1.715 6.214 -4.444 538 HG LEU 68 HG LEU 68 2.187 4.464 -6.892 539 HD11 LEU 68 1HD1 LEU 68 1.110 2.731 -5.519 540 HD12 LEU 68 2HD1 LEU 68 2.576 3.356 -4.739 541 HD13 LEU 68 3HD1 LEU 68 0.972 3.873 -4.169 542 HD21 LEU 68 3HD2 LEU 68 -0.485 5.214 -5.683 543 HD22 LEU 68 1HD2 LEU 68 0.147 5.839 -7.234 544 HD23 LEU 68 2HD2 LEU 68 -0.165 4.122 -7.046 545 H GLY 69 H GLY 69 4.692 8.277 -6.209 546 HA2 GLY 69 2HA GLY 69 5.377 10.521 -5.847 547 HA3 GLY 69 3HA GLY 69 3.949 10.833 -4.866 548 H PHE 70 H PHE 70 5.859 7.952 -4.227 549 HA PHE 70 HA PHE 70 6.405 8.668 -1.496 550 HB2 PHE 70 2HB PHE 70 7.317 6.448 -3.331 551 HB3 PHE 70 3HB PHE 70 7.998 6.625 -1.731 552 HD1 PHE 70 HD1 PHE 70 4.783 6.012 -3.525 553 HD2 PHE 70 HD2 PHE 70 6.862 5.941 0.237 554 HE1 PHE 70 HE1 PHE 70 2.944 4.666 -2.539 555 HE2 PHE 70 HE2 PHE 70 5.024 4.605 1.231 556 HZ PHE 70 HZ PHE 70 3.075 3.947 -0.170 557 H ARG 71 H ARG 71 8.158 9.311 -0.476 558 HA ARG 71 HA ARG 71 10.819 9.562 -1.758 559 HB2 ARG 71 2HB ARG 71 9.473 11.631 0.025 560 HB3 ARG 71 3HB ARG 71 11.177 11.661 -0.402 561 HG2 ARG 71 2HG ARG 71 10.654 12.078 -2.756 562 HG3 ARG 71 3HG ARG 71 8.907 11.984 -2.407 563 HD2 ARG 71 2HD ARG 71 9.174 13.774 -0.702 564 HD3 ARG 71 3HD ARG 71 10.889 13.916 -1.125 565 HE ARG 71 HE ARG 71 9.389 14.298 -3.499 566 HH11 ARG 71 1HH2 ARG 71 9.897 15.946 -0.423 567 HH12 ARG 71 2HH2 ARG 71 9.561 17.515 -1.119 568 HH21 ARG 71 1HH1 ARG 71 8.963 16.344 -4.300 569 HH22 ARG 71 2HH1 ARG 71 9.050 17.728 -3.251 570 HA PRO 72 HA PRO 72 12.139 7.622 2.067 571 HB2 PRO 72 2HB PRO 72 14.190 9.828 2.329 572 HB3 PRO 72 3HB PRO 72 14.412 8.057 2.495 573 HG2 PRO 72 2HG PRO 72 15.153 9.292 0.209 574 HG3 PRO 72 3HG PRO 72 14.237 7.750 0.117 575 HD2 PRO 72 2HD PRO 72 13.177 10.580 -0.161 576 HD3 PRO 72 3HD PRO 72 12.855 9.152 -1.188 577 H GLU 73 H GLU 73 11.554 11.151 2.207 578 HA GLU 73 HA GLU 73 11.279 11.252 5.079 579 HB2 GLU 73 2HB GLU 73 10.378 13.468 4.742 580 HB3 GLU 73 3HB GLU 73 11.802 13.233 3.728 581 HG2 GLU 73 2HG GLU 73 10.338 12.819 1.767 582 HG3 GLU 73 3HG GLU 73 8.909 13.086 2.765 583 H TYR 74 H TYR 74 9.169 9.980 2.687 584 HA TYR 74 HA TYR 74 7.281 9.251 4.751 585 HB2 TYR 74 2HB TYR 74 5.286 9.898 3.261 586 HB3 TYR 74 3HB TYR 74 6.015 11.035 4.366 587 HD1 TYR 74 HD1 TYR 74 6.941 10.072 0.838 588 HD2 TYR 74 HD2 TYR 74 5.734 13.181 3.560 589 HE1 TYR 74 HE1 TYR 74 7.057 11.730 -1.011 590 HE2 TYR 74 HE2 TYR 74 5.853 14.846 1.709 591 HH TYR 74 HH TYR 74 6.684 13.904 -1.645 592 H SER 75 H SER 75 8.711 7.536 4.171 593 HA SER 75 HA SER 75 8.380 5.803 1.911 594 HB2 SER 75 2HB SER 75 9.756 4.354 3.193 595 HB3 SER 75 3HB SER 75 10.297 5.994 3.530 596 HG SER 75 HG SER 75 8.885 5.876 5.460 597 H ALA 76 H ALA 76 7.995 3.285 2.919 598 HA ALA 76 HA ALA 76 5.191 2.903 3.189 599 HB1 ALA 76 1HB ALA 76 7.514 1.111 4.028 600 HB2 ALA 76 2HB ALA 76 5.827 0.616 3.771 601 HB3 ALA 76 3HB ALA 76 6.796 1.188 2.399 602 H SER 77 H SER 77 7.569 3.783 5.675 603 HA SER 77 HA SER 77 5.988 2.931 7.945 604 HB2 SER 77 2HB SER 77 8.177 5.031 7.710 605 HB3 SER 77 3HB SER 77 7.489 4.431 9.229 606 HG SER 77 HG SER 77 9.449 3.368 8.602 607 H GLN 78 H GLN 78 5.520 5.503 5.682 608 HA GLN 78 HA GLN 78 3.780 6.979 7.521 609 HB2 GLN 78 2HB GLN 78 5.340 7.841 5.059 610 HB3 GLN 78 3HB GLN 78 4.118 8.825 5.836 611 HG2 GLN 78 2HG GLN 78 6.069 9.649 6.795 612 HG3 GLN 78 3HG GLN 78 5.416 8.582 8.026 613 HE21 GLN 78 2HE2 GLN 78 7.662 8.734 8.918 614 HE22 GLN 78 1HE2 GLN 78 8.877 7.669 8.231 615 H LEU 79 H LEU 79 3.087 4.480 6.167 616 HA LEU 79 HA LEU 79 0.741 5.329 4.544 617 HB2 LEU 79 2HB LEU 79 1.931 2.637 5.337 618 HB3 LEU 79 3HB LEU 79 0.352 2.774 4.590 619 HG LEU 79 HG LEU 79 2.769 3.902 3.148 620 HD11 LEU 79 1HD1 LEU 79 1.886 0.991 2.989 621 HD12 LEU 79 2HD1 LEU 79 3.142 1.783 2.024 622 HD13 LEU 79 3HD1 LEU 79 3.365 1.544 3.764 623 HD21 LEU 79 3HD2 LEU 79 0.290 2.465 2.119 624 HD22 LEU 79 1HD2 LEU 79 0.356 4.206 2.402 625 HD23 LEU 79 2HD2 LEU 79 1.426 3.466 1.203 626 H LYS 80 H LYS 80 -1.265 5.462 5.432 627 HA LYS 80 HA LYS 80 -1.748 5.414 8.237 628 HB2 LYS 80 2HB LYS 80 -3.824 4.914 6.060 629 HB3 LYS 80 3HB LYS 80 -4.144 5.374 7.732 630 HG2 LYS 80 2HG LYS 80 -2.824 7.477 7.326 631 HG3 LYS 80 3HG LYS 80 -2.782 7.047 5.600 632 HD2 LYS 80 2HD LYS 80 -5.269 7.562 7.302 633 HD3 LYS 80 3HD LYS 80 -4.558 8.692 6.145 634 HE2 LYS 80 2HE LYS 80 -5.015 7.111 4.292 635 HE3 LYS 80 3HE LYS 80 -5.713 5.957 5.441 636 HZ1 LYS 80 3HZ LYS 80 -7.443 7.282 4.373 637 HZ2 LYS 80 1HZ LYS 80 -7.423 7.604 5.971 638 HZ3 LYS 80 2HZ LYS 80 -6.790 8.678 4.916 639 H GLY 81 H GLY 81 -2.205 3.863 9.683 640 HA2 GLY 81 2HA GLY 81 -2.889 1.862 10.596 641 HA3 GLY 81 3HA GLY 81 -3.458 1.318 9.013 642 H PHE 82 H PHE 82 -0.169 2.266 8.742 643 HA PHE 82 HA PHE 82 0.779 -0.362 8.140 644 HB2 PHE 82 2HB PHE 82 1.911 1.481 7.198 645 HB3 PHE 82 3HB PHE 82 2.045 2.321 8.738 646 HD1 PHE 82 HD2 PHE 82 3.745 1.833 10.352 647 HD2 PHE 82 HD1 PHE 82 3.599 -0.277 6.591 648 HE1 PHE 82 HE2 PHE 82 6.056 0.990 10.731 649 HE2 PHE 82 HE1 PHE 82 5.913 -1.079 6.963 650 HZ PHE 82 HZ PHE 82 7.124 -0.486 9.035 651 H SER 83 H SER 83 0.885 1.595 11.142 652 HA SER 83 HA SER 83 2.670 -0.114 12.573 653 HB2 SER 83 2HB SER 83 1.924 1.110 14.552 654 HB3 SER 83 3HB SER 83 2.172 2.220 13.187 655 HG SER 83 HG SER 83 0.007 2.360 12.869 656 H LEU 84 H LEU 84 -0.683 -0.545 11.834 657 HA LEU 84 HA LEU 84 -1.275 -2.364 14.063 658 HB2 LEU 84 2HB LEU 84 -2.961 -1.591 11.655 659 HB3 LEU 84 3HB LEU 84 -3.522 -2.380 13.122 660 HG LEU 84 HG LEU 84 -2.473 0.482 12.921 661 HD11 LEU 84 1HD1 LEU 84 -5.270 -0.607 13.426 662 HD12 LEU 84 2HD1 LEU 84 -4.792 1.106 13.392 663 HD13 LEU 84 3HD1 LEU 84 -4.695 0.134 11.914 664 HD21 LEU 84 3HD2 LEU 84 -3.611 -1.034 15.314 665 HD22 LEU 84 1HD2 LEU 84 -1.946 -0.430 15.141 666 HD23 LEU 84 2HD2 LEU 84 -3.285 0.714 15.257 667 H LEU 85 H LEU 85 0.133 -2.763 10.973 668 HA LEU 85 HA LEU 85 -0.789 -5.481 10.411 669 HB2 LEU 85 2HB LEU 85 1.420 -3.677 9.401 670 HB3 LEU 85 3HB LEU 85 1.467 -5.387 9.041 671 HG LEU 85 HG LEU 85 -0.634 -5.305 7.848 672 HD11 LEU 85 1HD1 LEU 85 -0.668 -2.325 8.447 673 HD12 LEU 85 2HD1 LEU 85 -1.718 -3.149 7.278 674 HD13 LEU 85 3HD1 LEU 85 -1.864 -3.520 8.998 675 HD21 LEU 85 3HD2 LEU 85 0.119 -3.918 5.957 676 HD22 LEU 85 1HD2 LEU 85 1.269 -3.072 7.014 677 HD23 LEU 85 2HD2 LEU 85 1.479 -4.801 6.667 678 H ALA 86 H ALA 86 0.732 -7.342 10.421 679 HA ALA 86 HA ALA 86 2.019 -7.838 12.927 680 HB1 ALA 86 1HB ALA 86 2.213 -9.246 10.226 681 HB2 ALA 86 2HB ALA 86 2.783 -9.910 11.776 682 HB3 ALA 86 3HB ALA 86 1.053 -9.607 11.520 683 H THR 87 H THR 87 4.216 -7.940 13.482 684 HA THR 87 HA THR 87 5.913 -5.919 12.590 685 HB THR 87 HB THR 87 6.819 -8.535 13.829 686 HG1 THR 87 1HG THR 87 6.341 -7.532 15.795 687 HG21 THR 87 1HG2 THR 87 8.691 -7.032 13.236 688 HG22 THR 87 2HG2 THR 87 7.889 -5.679 14.064 689 HG23 THR 87 3HG2 THR 87 8.481 -7.078 14.989 690 H GLU 88 H GLU 88 5.888 -9.340 11.514 691 HA GLU 88 HA GLU 88 8.215 -9.144 9.859 692 HB2 GLU 88 2HB GLU 88 7.509 -11.242 8.900 693 HB3 GLU 88 3HB GLU 88 7.328 -11.266 10.652 694 HG2 GLU 88 2HG GLU 88 4.861 -10.828 10.362 695 HG3 GLU 88 3HG GLU 88 5.082 -10.927 8.613 696 H ASP 89 H ASP 89 4.835 -8.221 9.191 697 HA ASP 89 HA ASP 89 5.388 -7.792 6.323 698 HB2 ASP 89 2HB ASP 89 2.999 -7.163 8.089 699 HB3 ASP 89 3HB ASP 89 3.118 -6.710 6.393 700 H LYS 90 H LYS 90 5.086 -5.795 9.276 701 HA LYS 90 HA LYS 90 5.443 -3.227 8.056 702 HB2 LYS 90 2HB LYS 90 6.098 -4.314 10.826 703 HB3 LYS 90 3HB LYS 90 6.317 -2.610 10.398 704 HG2 LYS 90 2HG LYS 90 4.038 -2.249 10.009 705 HG3 LYS 90 3HG LYS 90 3.664 -3.970 9.905 706 HD2 LYS 90 2HD LYS 90 2.807 -3.061 11.964 707 HD3 LYS 90 3HD LYS 90 4.044 -4.284 12.279 708 HE2 LYS 90 2HE LYS 90 5.688 -2.500 12.769 709 HE3 LYS 90 3HE LYS 90 4.475 -1.270 12.388 710 HZ1 LYS 90 3HZ LYS 90 4.566 -1.668 14.787 711 HZ2 LYS 90 1HZ LYS 90 3.107 -2.185 14.231 712 HZ3 LYS 90 2HZ LYS 90 4.280 -3.263 14.593 713 H GLU 91 H GLU 91 7.879 -5.501 9.341 714 HA GLU 91 HA GLU 91 10.154 -3.900 8.547 715 HB2 GLU 91 2HB GLU 91 9.850 -6.865 9.161 716 HB3 GLU 91 3HB GLU 91 11.401 -6.085 8.846 717 HG2 GLU 91 2HG GLU 91 9.515 -5.235 11.080 718 HG3 GLU 91 3HG GLU 91 10.826 -6.390 11.279 719 H ALA 92 H ALA 92 8.366 -6.534 6.850 720 HA ALA 92 HA ALA 92 10.148 -6.636 4.611 721 HB1 ALA 92 1HB ALA 92 8.551 -8.403 5.096 722 HB2 ALA 92 2HB ALA 92 7.189 -7.296 4.786 723 HB3 ALA 92 3HB ALA 92 8.288 -7.757 3.465 724 H LEU 93 H LEU 93 7.193 -4.634 5.107 725 HA LEU 93 HA LEU 93 7.222 -3.369 2.537 726 HB2 LEU 93 2HB LEU 93 6.176 -2.546 5.268 727 HB3 LEU 93 3HB LEU 93 5.912 -1.578 3.824 728 HG LEU 93 HG LEU 93 4.944 -4.452 4.082 729 HD11 LEU 93 1HD1 LEU 93 3.462 -1.817 4.485 730 HD12 LEU 93 2HD1 LEU 93 2.735 -3.437 4.498 731 HD13 LEU 93 3HD1 LEU 93 3.883 -2.985 5.761 732 HD21 LEU 93 3HD2 LEU 93 5.190 -3.695 1.753 733 HD22 LEU 93 1HD2 LEU 93 3.485 -3.838 2.199 734 HD23 LEU 93 2HD2 LEU 93 4.242 -2.233 2.123 735 H LYS 94 H LYS 94 8.752 -2.404 5.644 736 HA LYS 94 HA LYS 94 10.086 -0.053 4.658 737 HB2 LYS 94 2HB LYS 94 10.656 -2.006 6.925 738 HB3 LYS 94 3HB LYS 94 11.694 -0.616 6.589 739 HG2 LYS 94 2HG LYS 94 9.971 0.955 7.061 740 HG3 LYS 94 3HG LYS 94 8.711 -0.283 7.053 741 HD2 LYS 94 2HD LYS 94 9.249 0.407 9.349 742 HD3 LYS 94 3HD LYS 94 9.602 -1.306 9.077 743 HE2 LYS 94 2HE LYS 94 12.027 -0.669 8.722 744 HE3 LYS 94 3HE LYS 94 11.608 0.990 9.183 745 HZ1 LYS 94 3HZ LYS 94 10.848 0.066 11.342 746 HZ2 LYS 94 1HZ LYS 94 11.287 -1.446 10.869 747 HZ3 LYS 94 2HZ LYS 94 12.425 -0.294 11.085 748 H LYS 95 H LYS 95 11.122 -3.475 4.798 749 HA LYS 95 HA LYS 95 13.719 -2.972 3.765 750 HB2 LYS 95 2HB LYS 95 12.049 -5.483 3.957 751 HB3 LYS 95 3HB LYS 95 13.589 -5.509 3.094 752 HG2 LYS 95 2HG LYS 95 14.774 -4.617 5.057 753 HG3 LYS 95 3HG LYS 95 13.283 -4.598 5.991 754 HD2 LYS 95 2HD LYS 95 14.624 -7.075 4.812 755 HD3 LYS 95 3HD LYS 95 14.722 -6.544 6.498 756 HE2 LYS 95 2HE LYS 95 12.241 -6.776 6.698 757 HE3 LYS 95 3HE LYS 95 12.180 -7.387 5.038 758 HZ1 LYS 95 3HZ LYS 95 13.652 -8.687 7.270 759 HZ2 LYS 95 1HZ LYS 95 12.244 -9.216 6.635 760 HZ3 LYS 95 2HZ LYS 95 13.604 -9.241 5.735 761 H GLN 96 H GLN 96 10.732 -3.233 2.012 762 HA GLN 96 HA GLN 96 12.060 -3.331 -0.634 763 HB2 GLN 96 2HB GLN 96 9.169 -2.849 0.184 764 HB3 GLN 96 3HB GLN 96 9.777 -2.955 -1.471 765 HG2 GLN 96 2HG GLN 96 10.326 -5.284 -1.235 766 HG3 GLN 96 3HG GLN 96 9.975 -5.261 0.496 767 HE21 GLN 96 2HE2 GLN 96 8.400 -4.652 -2.706 768 HE22 GLN 96 1HE2 GLN 96 6.775 -4.954 -2.106 769 H LEU 97 H LEU 97 10.416 -0.953 1.481 770 HA LEU 97 HA LEU 97 11.505 1.304 -0.113 771 HB2 LEU 97 2HB LEU 97 9.324 0.596 -1.007 772 HB3 LEU 97 3HB LEU 97 8.578 0.799 0.572 773 HG LEU 97 HG LEU 97 8.834 3.212 0.463 774 HD11 LEU 97 1HD1 LEU 97 10.442 2.698 -2.072 775 HD12 LEU 97 2HD1 LEU 97 9.812 4.295 -1.585 776 HD13 LEU 97 3HD1 LEU 97 11.012 3.478 -0.580 777 HD21 LEU 97 3HD2 LEU 97 7.497 3.662 -1.567 778 HD22 LEU 97 1HD2 LEU 97 7.931 2.071 -2.219 779 HD23 LEU 97 2HD2 LEU 97 6.947 2.194 -0.746 780 HA PRO 98 HA PRO 98 11.719 2.087 4.415 781 HB2 PRO 98 2HB PRO 98 14.462 2.364 4.685 782 HB3 PRO 98 3HB PRO 98 13.570 0.828 4.766 783 HG2 PRO 98 2HG PRO 98 15.349 1.804 2.617 784 HG3 PRO 98 3HG PRO 98 14.712 0.156 2.912 785 HD2 PRO 98 2HD PRO 98 13.759 2.183 1.034 786 HD3 PRO 98 3HD PRO 98 13.278 0.474 1.203 787 H GLY 99 H GLY 99 11.889 4.093 5.574 788 HA2 GLY 99 2HA GLY 99 12.558 6.505 4.026 789 HA3 GLY 99 3HA GLY 99 11.594 6.396 5.490 790 H VAL 100 H VAL 100 12.843 8.284 5.895 791 HA VAL 100 HA VAL 100 15.650 8.231 6.562 792 HB VAL 100 HB VAL 100 13.439 10.207 7.268 793 HG11 VAL 100 1HG1 VAL 100 15.281 11.824 7.748 794 HG12 VAL 100 2HG1 VAL 100 15.207 10.516 8.923 795 HG13 VAL 100 3HG1 VAL 100 16.455 10.494 7.648 796 HG21 VAL 100 3HG2 VAL 100 13.970 10.045 4.850 797 HG22 VAL 100 1HG2 VAL 100 14.484 11.595 5.515 798 HG23 VAL 100 2HG2 VAL 100 15.686 10.322 5.202 799 H LYS 101 H LYS 101 16.718 8.011 8.305 800 HA LYS 101 HA LYS 101 15.398 7.246 10.865 801 HB2 LYS 101 2HB LYS 101 16.172 5.338 9.171 802 HB3 LYS 101 3HB LYS 101 17.773 5.680 9.838 803 HG2 LYS 101 2HG LYS 101 16.710 5.384 12.154 804 HG3 LYS 101 3HG LYS 101 15.230 4.889 11.310 805 HD2 LYS 101 2HD LYS 101 16.435 2.994 10.275 806 HD3 LYS 101 3HD LYS 101 17.955 3.530 11.023 807 HE2 LYS 101 2HE LYS 101 16.952 3.212 13.278 808 HE3 LYS 101 3HE LYS 101 15.455 2.637 12.527 809 HZ1 LYS 101 3HZ LYS 101 16.887 0.780 13.178 810 HZ2 LYS 101 1HZ LYS 101 16.742 0.798 11.553 811 HZ3 LYS 101 2HZ LYS 101 18.115 1.331 12.259 812 H SER 102 H SER 102 16.630 9.762 10.254 813 HA SER 102 HA SER 102 19.353 9.974 10.977 814 HB2 SER 102 2HB SER 102 18.832 12.401 11.245 815 HB3 SER 102 3HB SER 102 18.246 11.695 9.729 816 HG SER 102 HG SER 102 16.667 13.026 10.785 817 H GLU 103 H GLU 103 16.552 9.831 13.112 818 HA GLU 103 HA GLU 103 18.009 10.689 15.491 819 HB2 GLU 103 2HB GLU 103 15.496 10.894 14.995 820 HB3 GLU 103 3HB GLU 103 15.381 9.172 15.332 821 HG2 GLU 103 2HG GLU 103 14.709 10.441 17.273 822 HG3 GLU 103 3HG GLU 103 16.188 9.587 17.659 823 H GLY 104 H GLY 104 17.947 7.731 13.751 824 HA2 GLY 104 2HA GLY 104 18.905 5.689 14.096 825 HA3 GLY 104 3HA GLY 104 19.673 6.336 15.545 826 H LYS 105 H LYS 105 18.159 6.554 17.460 827 HA LYS 105 HA LYS 105 16.845 3.941 17.981 828 HB2 LYS 105 2HB LYS 105 17.765 6.249 19.744 829 HB3 LYS 105 3HB LYS 105 16.790 4.925 20.356 830 HG2 LYS 105 2HG LYS 105 19.006 4.427 20.916 831 HG3 LYS 105 3HG LYS 105 18.518 3.284 19.666 832 HD2 LYS 105 2HD LYS 105 19.856 4.467 17.995 833 HD3 LYS 105 3HD LYS 105 20.199 5.781 19.149 834 HE2 LYS 105 2HE LYS 105 21.359 4.147 20.626 835 HE3 LYS 105 3HE LYS 105 21.022 2.857 19.466 836 HZ1 LYS 105 3HZ LYS 105 22.684 5.260 18.905 837 HZ2 LYS 105 1HZ LYS 105 23.258 3.758 19.172 838 HZ3 LYS 105 2HZ LYS 105 22.378 4.061 17.834 839 H ARG 106 H ARG 106 15.771 7.001 17.041 840 HA ARG 106 HA ARG 106 13.808 8.180 17.097 841 HB2 ARG 106 2HB ARG 106 12.444 5.469 17.236 842 HB3 ARG 106 3HB ARG 106 11.723 6.999 16.781 843 HG2 ARG 106 2HG ARG 106 12.057 6.074 14.722 844 HG3 ARG 106 3HG ARG 106 13.469 7.110 14.876 845 HD2 ARG 106 2HD ARG 106 14.068 4.960 13.888 846 HD3 ARG 106 3HD ARG 106 14.845 5.132 15.457 847 HE ARG 106 HE ARG 106 12.249 3.690 15.332 848 HH11 ARG 106 1HH2 ARG 106 15.746 3.283 15.658 849 HH12 ARG 106 2HH2 ARG 106 15.545 1.677 16.311 850 HH21 ARG 106 1HH1 ARG 106 12.125 1.660 16.170 851 HH22 ARG 106 2HH1 ARG 106 13.572 0.786 16.567 852 H LYS 107 H LYS 107 15.108 8.046 19.500 853 HA LYS 107 HA LYS 107 13.417 7.411 21.737 854 HB2 LYS 107 2HB LYS 107 15.953 7.452 21.664 855 HB3 LYS 107 3HB LYS 107 15.885 9.202 21.597 856 HG2 LYS 107 2HG LYS 107 16.421 8.441 23.838 857 HG3 LYS 107 3HG LYS 107 14.891 9.299 23.838 858 HD2 LYS 107 2HD LYS 107 14.797 7.356 25.307 859 HD3 LYS 107 3HD LYS 107 13.663 7.146 23.976 860 HE2 LYS 107 2HE LYS 107 15.356 5.704 22.804 861 HE3 LYS 107 3HE LYS 107 16.437 5.885 24.197 862 HZ1 LYS 107 3HZ LYS 107 13.717 4.679 24.258 863 HZ2 LYS 107 1HZ LYS 107 15.120 3.835 24.324 864 HZ3 LYS 107 2HZ LYS 107 14.704 4.821 25.561 865 H GLY 108 H GLY 108 12.461 8.810 23.275 866 HA2 GLY 108 2HA GLY 108 11.648 10.811 24.154 867 HA3 GLY 108 3HA GLY 108 12.119 11.677 22.696 868 H ASP 109 H ASP 109 10.333 8.983 21.730 869 HA ASP 109 HA ASP 109 7.672 10.241 22.101 870 HB2 ASP 109 2HB ASP 109 8.677 10.936 19.886 871 HB3 ASP 109 3HB ASP 109 8.662 9.238 19.409 872 H GLU 110 H GLU 110 8.796 8.100 23.529 873 HA GLU 110 HA GLU 110 7.252 5.727 22.592 874 HB2 GLU 110 2HB GLU 110 9.506 5.925 24.622 875 HB3 GLU 110 3HB GLU 110 8.610 4.455 24.222 876 HG2 GLU 110 2HG GLU 110 9.363 4.662 21.845 877 HG3 GLU 110 3HG GLU 110 10.338 6.066 22.292 878 H VAL 111 H VAL 111 5.850 4.624 23.972 879 HA VAL 111 HA VAL 111 4.571 6.261 26.077 880 HB VAL 111 HB VAL 111 3.689 3.567 24.985 881 HG11 VAL 111 1HG1 VAL 111 2.218 5.714 26.595 882 HG12 VAL 111 2HG1 VAL 111 1.501 4.221 25.951 883 HG13 VAL 111 3HG1 VAL 111 2.726 4.129 27.216 884 HG21 VAL 111 3HG2 VAL 111 2.821 6.391 24.220 885 HG22 VAL 111 1HG2 VAL 111 3.634 5.213 23.165 886 HG23 VAL 111 2HG2 VAL 111 1.994 4.897 23.734 887 H ASP 112 H ASP 112 6.423 6.219 27.407 888 HA ASP 112 HA ASP 112 6.634 3.853 29.217 889 HB2 ASP 112 2HB ASP 112 8.460 3.730 27.575 890 HB3 ASP 112 3HB ASP 112 8.950 5.374 27.961 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -9.210 17.041 13.259 2 H2 GLY 1 H2 GLY 1 -9.351 18.169 12.082 3 H3 GLY 1 H3 GLY 1 -8.837 18.606 13.576 4 HA2 GLY 1 2HA GLY 1 -6.975 18.542 12.059 5 HA3 GLY 1 3HA GLY 1 -6.820 17.324 13.338 6 H SER 2 H SER 2 -5.311 16.852 11.232 7 HA SER 2 HA SER 2 -6.467 15.439 9.036 8 HB2 SER 2 2HB SER 2 -3.658 15.235 10.186 9 HB3 SER 2 3HB SER 2 -4.173 14.712 8.571 10 HG SER 2 HG SER 2 -3.225 16.816 8.557 11 H LYS 3 H LYS 3 -6.502 13.231 8.513 12 HA LYS 3 HA LYS 3 -7.002 11.376 10.731 13 HB2 LYS 3 2HB LYS 3 -7.060 11.001 7.709 14 HB3 LYS 3 3HB LYS 3 -7.456 9.742 8.887 15 HG2 LYS 3 2HG LYS 3 -9.276 11.150 9.812 16 HG3 LYS 3 3HG LYS 3 -8.907 12.412 8.621 17 HD2 LYS 3 2HD LYS 3 -9.460 10.853 6.774 18 HD3 LYS 3 3HD LYS 3 -9.737 9.558 7.943 19 HE2 LYS 3 2HE LYS 3 -11.879 10.387 7.291 20 HE3 LYS 3 3HE LYS 3 -11.594 10.870 8.964 21 HZ1 LYS 3 3HZ LYS 3 -12.507 12.688 7.623 22 HZ2 LYS 3 1HZ LYS 3 -11.023 13.100 8.153 23 HZ3 LYS 3 2HZ LYS 3 -11.244 12.641 6.596 24 H ALA 4 H ALA 4 -5.774 9.851 11.486 25 HA ALA 4 HA ALA 4 -3.976 8.798 12.230 26 HB1 ALA 4 1HB ALA 4 -3.034 8.690 9.354 27 HB2 ALA 4 2HB ALA 4 -2.444 7.694 10.696 28 HB3 ALA 4 3HB ALA 4 -4.124 7.534 10.150 29 H GLU 5 H GLU 5 -1.888 9.003 13.050 30 HA GLU 5 HA GLU 5 -1.041 11.837 13.132 31 HB2 GLU 5 2HB GLU 5 -0.393 9.460 14.910 32 HB3 GLU 5 3HB GLU 5 0.169 11.115 15.175 33 HG2 GLU 5 2HG GLU 5 -2.195 11.897 15.295 34 HG3 GLU 5 3HG GLU 5 -2.749 10.231 15.117 35 H LYS 6 H LYS 6 0.384 8.737 12.202 36 HA LYS 6 HA LYS 6 3.082 9.954 11.808 37 HB2 LYS 6 2HB LYS 6 1.997 7.126 11.924 38 HB3 LYS 6 3HB LYS 6 3.540 7.448 11.152 39 HG2 LYS 6 2HG LYS 6 3.840 6.733 13.446 40 HG3 LYS 6 3HG LYS 6 4.502 8.343 13.160 41 HD2 LYS 6 2HD LYS 6 2.723 9.399 14.402 42 HD3 LYS 6 3HD LYS 6 1.766 7.908 14.414 43 HE2 LYS 6 2HE LYS 6 2.746 8.253 16.606 44 HE3 LYS 6 3HE LYS 6 3.412 6.805 15.851 45 HZ1 LYS 6 3HZ LYS 6 4.785 9.444 16.076 46 HZ2 LYS 6 1HZ LYS 6 5.166 8.047 16.861 47 HZ3 LYS 6 2HZ LYS 6 5.383 8.157 15.250 48 H THR 7 H THR 7 0.336 9.068 9.873 49 HA THR 7 HA THR 7 1.690 8.453 7.459 50 HB THR 7 HB THR 7 -1.101 9.579 7.734 51 HG1 THR 7 1HG THR 7 -0.137 6.945 8.135 52 HG21 THR 7 1HG2 THR 7 -0.030 8.937 5.342 53 HG22 THR 7 2HG2 THR 7 -0.463 7.331 5.851 54 HG23 THR 7 3HG2 THR 7 -1.694 8.613 5.756 55 H LEU 8 H LEU 8 2.097 9.623 5.563 56 HA LEU 8 HA LEU 8 2.261 12.532 5.764 57 HB2 LEU 8 2HB LEU 8 3.020 12.569 3.507 58 HB3 LEU 8 3HB LEU 8 3.932 11.461 4.496 59 HG LEU 8 HG LEU 8 3.265 9.585 3.329 60 HD11 LEU 8 1HD1 LEU 8 0.912 11.102 2.148 61 HD12 LEU 8 2HD1 LEU 8 1.438 9.501 1.620 62 HD13 LEU 8 3HD1 LEU 8 0.864 9.686 3.264 63 HD21 LEU 8 3HD2 LEU 8 4.666 11.058 1.968 64 HD22 LEU 8 1HD2 LEU 8 3.557 10.179 0.918 65 HD23 LEU 8 2HD2 LEU 8 3.234 11.872 1.305 66 H GLY 9 H GLY 9 -0.499 10.721 5.307 67 HA2 GLY 9 2HA GLY 9 -2.636 11.592 5.199 68 HA3 GLY 9 3HA GLY 9 -2.003 13.132 4.630 69 H ASP 10 H ASP 10 -1.087 10.264 2.809 70 HA ASP 10 HA ASP 10 -3.195 10.779 0.802 71 HB2 ASP 10 2HB ASP 10 -0.766 12.017 0.569 72 HB3 ASP 10 3HB ASP 10 -0.443 10.513 -0.299 73 H PHE 11 H PHE 11 -1.313 8.319 2.349 74 HA PHE 11 HA PHE 11 -2.587 6.331 0.610 75 HB2 PHE 11 2HB PHE 11 -0.401 5.125 0.232 76 HB3 PHE 11 3HB PHE 11 -0.759 6.529 -0.722 77 HD1 PHE 11 HD1 PHE 11 0.856 6.463 2.729 78 HD2 PHE 11 HD2 PHE 11 1.281 7.228 -1.499 79 HE1 PHE 11 HE1 PHE 11 3.212 7.106 3.076 80 HE2 PHE 11 HE2 PHE 11 3.611 7.974 -1.116 81 HZ PHE 11 HZ PHE 11 4.592 7.875 1.166 82 H ALA 12 H ALA 12 -2.469 4.149 1.322 83 HA ALA 12 HA ALA 12 -2.473 3.900 4.289 84 HB1 ALA 12 1HB ALA 12 -4.713 3.106 2.405 85 HB2 ALA 12 2HB ALA 12 -4.742 3.066 4.175 86 HB3 ALA 12 3HB ALA 12 -4.692 4.619 3.307 87 H ALA 13 H ALA 13 -2.641 1.769 5.110 88 HA ALA 13 HA ALA 13 -2.002 -0.524 3.337 89 HB1 ALA 13 1HB ALA 13 -0.461 0.291 5.848 90 HB2 ALA 13 2HB ALA 13 -0.116 -1.096 4.775 91 HB3 ALA 13 3HB ALA 13 0.085 0.564 4.183 92 H GLU 14 H GLU 14 -2.875 -2.515 4.050 93 HA GLU 14 HA GLU 14 -4.108 -2.867 6.661 94 HB2 GLU 14 2HB GLU 14 -5.694 -1.395 5.132 95 HB3 GLU 14 3HB GLU 14 -5.891 -2.876 4.195 96 HG2 GLU 14 2HG GLU 14 -6.700 -3.998 6.348 97 HG3 GLU 14 3HG GLU 14 -6.534 -2.443 7.149 98 H TYR 15 H TYR 15 -5.161 -5.165 6.613 99 HA TYR 15 HA TYR 15 -3.952 -6.941 4.558 100 HB2 TYR 15 2HB TYR 15 -5.690 -7.508 6.966 101 HB3 TYR 15 3HB TYR 15 -5.110 -8.720 5.824 102 HD1 TYR 15 HD1 TYR 15 -2.500 -8.573 5.279 103 HD2 TYR 15 HD2 TYR 15 -4.293 -6.951 8.832 104 HE1 TYR 15 HE1 TYR 15 -0.358 -8.938 6.520 105 HE2 TYR 15 HE2 TYR 15 -2.173 -7.331 10.079 106 HH TYR 15 HH TYR 15 0.719 -8.758 8.489 107 H ALA 16 H ALA 16 -5.040 -8.066 3.048 108 HA ALA 16 HA ALA 16 -7.375 -6.884 1.883 109 HB1 ALA 16 1HB ALA 16 -5.899 -9.457 1.338 110 HB2 ALA 16 2HB ALA 16 -7.138 -8.738 0.280 111 HB3 ALA 16 3HB ALA 16 -5.604 -7.884 0.572 112 H LYS 17 H LYS 17 -9.064 -6.951 3.400 113 HA LYS 17 HA LYS 17 -9.876 -9.275 4.861 114 HB2 LYS 17 2HB LYS 17 -11.263 -6.650 4.190 115 HB3 LYS 17 3HB LYS 17 -11.979 -7.861 5.256 116 HG2 LYS 17 2HG LYS 17 -10.219 -7.693 6.860 117 HG3 LYS 17 3HG LYS 17 -9.205 -6.726 5.781 118 HD2 LYS 17 2HD LYS 17 -10.745 -4.850 5.884 119 HD3 LYS 17 3HD LYS 17 -11.889 -5.786 6.872 120 HE2 LYS 17 2HE LYS 17 -10.319 -5.928 8.704 121 HE3 LYS 17 3HE LYS 17 -9.008 -5.267 7.718 122 HZ1 LYS 17 3HZ LYS 17 -11.446 -3.720 8.406 123 HZ2 LYS 17 1HZ LYS 17 -10.089 -3.156 7.657 124 HZ3 LYS 17 2HZ LYS 17 -10.033 -3.608 9.223 125 H SER 18 H SER 18 -10.482 -8.511 1.579 126 HA SER 18 HA SER 18 -12.034 -10.981 1.243 127 HB2 SER 18 2HB SER 18 -13.775 -9.872 -0.126 128 HB3 SER 18 3HB SER 18 -13.819 -9.347 1.565 129 HG SER 18 HG SER 18 -13.982 -7.553 0.200 130 H ASN 19 H ASN 19 -12.000 -11.757 -0.954 131 HA ASN 19 HA ASN 19 -9.695 -10.791 -2.514 132 HB2 ASN 19 2HB ASN 19 -10.332 -13.272 -1.972 133 HB3 ASN 19 3HB ASN 19 -11.460 -13.112 -3.312 134 HD21 ASN 19 2HD2 ASN 19 -9.059 -14.837 -3.113 135 HD22 ASN 19 1HD2 ASN 19 -7.923 -14.263 -4.341 136 H ARG 20 H ARG 20 -11.354 -8.806 -2.447 137 HA ARG 20 HA ARG 20 -12.686 -8.659 -5.125 138 HB2 ARG 20 2HB ARG 20 -13.765 -7.596 -2.477 139 HB3 ARG 20 3HB ARG 20 -14.487 -7.281 -4.050 140 HG2 ARG 20 2HG ARG 20 -14.220 -10.043 -2.781 141 HG3 ARG 20 3HG ARG 20 -15.671 -9.045 -2.791 142 HD2 ARG 20 2HD ARG 20 -15.771 -9.120 -5.241 143 HD3 ARG 20 3HD ARG 20 -14.293 -10.070 -5.317 144 HE ARG 20 HE ARG 20 -16.972 -10.979 -4.469 145 HH11 ARG 20 1HH2 ARG 20 -13.580 -11.911 -4.759 146 HH12 ARG 20 2HH2 ARG 20 -13.978 -13.609 -4.650 147 HH21 ARG 20 1HH1 ARG 20 -17.361 -13.148 -4.332 148 HH22 ARG 20 2HH1 ARG 20 -16.045 -14.282 -4.409 149 H SER 21 H SER 21 -10.506 -7.153 -2.945 150 HA SER 21 HA SER 21 -10.382 -4.570 -4.297 151 HB2 SER 21 2HB SER 21 -8.296 -6.148 -2.735 152 HB3 SER 21 3HB SER 21 -8.076 -4.492 -3.338 153 HG SER 21 HG SER 21 -9.837 -3.853 -2.039 154 H THR 22 H THR 22 -8.933 -3.973 -5.966 155 HA THR 22 HA THR 22 -7.487 -6.135 -7.430 156 HB THR 22 HB THR 22 -9.204 -4.029 -8.731 157 HG1 THR 22 1HG THR 22 -10.516 -5.757 -9.333 158 HG21 THR 22 1HG2 THR 22 -7.246 -4.703 -10.141 159 HG22 THR 22 2HG2 THR 22 -7.797 -6.390 -10.025 160 HG23 THR 22 3HG2 THR 22 -8.795 -5.177 -10.841 161 H CYS 23 HN CYS 23 -5.559 -5.553 -8.146 162 HA CYS 23 HA CYS 23 -4.365 -3.150 -7.110 163 HB2 CYS 23 2HB CYS 23 -3.209 -5.218 -6.957 164 HB3 CYS 23 3HB CYS 23 -3.496 -5.569 -8.659 165 H LYS 24 H LYS 24 -4.642 -1.254 -8.161 166 HA LYS 24 HA LYS 24 -4.962 -1.064 -11.067 167 HB2 LYS 24 2HB LYS 24 -4.772 0.853 -8.742 168 HB3 LYS 24 3HB LYS 24 -4.575 1.456 -10.392 169 HG2 LYS 24 2HG LYS 24 -6.883 1.679 -9.816 170 HG3 LYS 24 3HG LYS 24 -6.728 0.459 -11.063 171 HD2 LYS 24 2HD LYS 24 -7.151 -1.325 -9.453 172 HD3 LYS 24 3HD LYS 24 -6.994 -0.197 -8.100 173 HE2 LYS 24 2HE LYS 24 -9.320 -0.661 -8.404 174 HE3 LYS 24 3HE LYS 24 -9.027 1.012 -8.881 175 HZ1 LYS 24 3HZ LYS 24 -9.077 0.282 -11.215 176 HZ2 LYS 24 1HZ LYS 24 -9.315 -1.276 -10.767 177 HZ3 LYS 24 2HZ LYS 24 -10.458 -0.157 -10.469 178 H GLY 25 H GLY 25 -2.268 -1.632 -9.168 179 HA2 GLY 25 2HA GLY 25 -0.242 -0.239 -10.719 180 HA3 GLY 25 3HA GLY 25 0.012 -1.572 -9.589 181 H CYS 26 HN CYS 26 -1.544 -3.563 -10.804 182 HA CYS 26 HA CYS 26 -0.331 -3.895 -13.503 183 HB2 CYS 26 2HB CYS 26 0.380 -6.100 -13.092 184 HB3 CYS 26 3HB CYS 26 1.040 -5.077 -11.817 185 H MET 27 H MET 27 -3.242 -3.733 -12.048 186 HA MET 27 HA MET 27 -5.330 -4.162 -12.645 187 HB2 MET 27 2HB MET 27 -4.329 -3.399 -14.940 188 HB3 MET 27 3HB MET 27 -4.537 -5.084 -15.399 189 HG2 MET 27 2HG MET 27 -6.588 -4.395 -16.026 190 HG3 MET 27 3HG MET 27 -7.002 -4.606 -14.332 191 HE1 MET 27 3HE MET 27 -6.852 -2.413 -12.552 192 HE2 MET 27 1HE MET 27 -5.280 -1.886 -13.208 193 HE3 MET 27 2HE MET 27 -6.636 -0.746 -13.134 194 H GLU 28 H GLU 28 -4.344 -6.030 -11.055 195 HA GLU 28 HA GLU 28 -5.827 -8.459 -11.899 196 HB2 GLU 28 2HB GLU 28 -2.968 -8.436 -10.877 197 HB3 GLU 28 3HB GLU 28 -3.996 -9.843 -10.710 198 HG2 GLU 28 2HG GLU 28 -3.248 -8.532 -13.345 199 HG3 GLU 28 3HG GLU 28 -2.517 -9.983 -12.659 200 H LYS 29 H LYS 29 -6.440 -9.841 -10.155 201 HA LYS 29 HA LYS 29 -7.632 -8.197 -8.099 202 HB2 LYS 29 2HB LYS 29 -8.756 -10.220 -7.357 203 HB3 LYS 29 3HB LYS 29 -8.857 -10.028 -9.106 204 HG2 LYS 29 2HG LYS 29 -6.886 -11.669 -9.287 205 HG3 LYS 29 3HG LYS 29 -7.094 -11.985 -7.563 206 HD2 LYS 29 2HD LYS 29 -9.224 -12.387 -9.711 207 HD3 LYS 29 3HD LYS 29 -8.188 -13.657 -9.045 208 HE2 LYS 29 2HE LYS 29 -9.115 -13.261 -6.789 209 HE3 LYS 29 3HE LYS 29 -10.162 -11.988 -7.424 210 HZ1 LYS 29 3HZ LYS 29 -11.344 -14.104 -7.262 211 HZ2 LYS 29 1HZ LYS 29 -11.235 -13.673 -8.832 212 HZ3 LYS 29 2HZ LYS 29 -10.268 -14.847 -8.236 213 H ILE 30 H ILE 30 -7.173 -7.903 -6.022 214 HA ILE 30 HA ILE 30 -4.602 -8.876 -4.978 215 HB ILE 30 HB ILE 30 -6.663 -6.909 -3.984 216 HG12 ILE 30 2HG1 ILE 30 -3.738 -6.473 -4.723 217 HG13 ILE 30 3HG1 ILE 30 -5.022 -6.383 -5.918 218 HG21 ILE 30 1HG2 ILE 30 -5.681 -8.015 -1.991 219 HG22 ILE 30 2HG2 ILE 30 -4.049 -7.677 -2.627 220 HG23 ILE 30 3HG2 ILE 30 -5.132 -6.355 -2.150 221 HD11 ILE 30 3HD1 ILE 30 -6.102 -4.555 -4.672 222 HD12 ILE 30 1HD1 ILE 30 -4.774 -4.584 -3.480 223 HD13 ILE 30 2HD1 ILE 30 -4.450 -4.173 -5.167 224 H GLU 31 H GLU 31 -4.383 -10.700 -3.928 225 HA GLU 31 HA GLU 31 -6.506 -12.462 -3.289 226 HB2 GLU 31 2HB GLU 31 -3.586 -12.402 -2.437 227 HB3 GLU 31 3HB GLU 31 -4.662 -13.757 -2.117 228 HG2 GLU 31 2HG GLU 31 -4.087 -12.760 -4.937 229 HG3 GLU 31 3HG GLU 31 -3.079 -13.927 -4.096 230 H LYS 32 H LYS 32 -7.491 -13.013 -1.449 231 HA LYS 32 HA LYS 32 -7.666 -11.219 0.795 232 HB2 LYS 32 2HB LYS 32 -9.478 -12.759 0.051 233 HB3 LYS 32 3HB LYS 32 -8.527 -14.136 0.618 234 HG2 LYS 32 2HG LYS 32 -8.632 -13.186 2.946 235 HG3 LYS 32 3HG LYS 32 -9.618 -11.846 2.321 236 HD2 LYS 32 2HD LYS 32 -11.344 -13.463 1.606 237 HD3 LYS 32 3HD LYS 32 -10.333 -14.799 2.211 238 HE2 LYS 32 2HE LYS 32 -10.424 -13.827 4.497 239 HE3 LYS 32 3HE LYS 32 -11.439 -12.509 3.902 240 HZ1 LYS 32 3HZ LYS 32 -12.190 -15.386 3.864 241 HZ2 LYS 32 1HZ LYS 32 -12.772 -14.272 4.902 242 HZ3 LYS 32 2HZ LYS 32 -13.132 -14.165 3.315 243 H GLY 33 H GLY 33 -6.876 -11.343 2.851 244 HA2 GLY 33 2HA GLY 33 -5.660 -12.032 4.676 245 HA3 GLY 33 3HA GLY 33 -5.425 -13.596 3.898 246 H GLN 34 H GLN 34 -4.181 -11.032 1.941 247 HA GLN 34 HA GLN 34 -1.568 -10.994 3.333 248 HB2 GLN 34 2HB GLN 34 -0.367 -10.976 1.231 249 HB3 GLN 34 3HB GLN 34 -1.242 -12.468 1.494 250 HG2 GLN 34 2HG GLN 34 -1.436 -11.970 -0.828 251 HG3 GLN 34 3HG GLN 34 -3.017 -11.681 -0.122 252 HE21 GLN 34 2HE2 GLN 34 -3.921 -9.619 -0.546 253 HE22 GLN 34 1HE2 GLN 34 -2.914 -8.192 -0.499 254 H VAL 35 H VAL 35 -0.307 -8.918 2.557 255 HA VAL 35 HA VAL 35 -1.966 -6.766 3.496 256 HB VAL 35 HB VAL 35 0.838 -6.767 2.353 257 HG11 VAL 35 1HG1 VAL 35 -0.620 -4.506 3.793 258 HG12 VAL 35 2HG1 VAL 35 1.117 -4.556 3.435 259 HG13 VAL 35 3HG1 VAL 35 -0.036 -4.487 2.110 260 HG21 VAL 35 3HG2 VAL 35 0.578 -7.992 4.492 261 HG22 VAL 35 1HG2 VAL 35 1.502 -6.507 4.708 262 HG23 VAL 35 2HG2 VAL 35 -0.196 -6.564 5.215 263 H ARG 36 H ARG 36 -2.809 -4.954 2.507 264 HA ARG 36 HA ARG 36 -2.515 -4.621 -0.429 265 HB2 ARG 36 2HB ARG 36 -4.824 -3.976 -0.709 266 HB3 ARG 36 3HB ARG 36 -4.687 -5.641 -0.146 267 HG2 ARG 36 2HG ARG 36 -5.431 -5.068 2.067 268 HG3 ARG 36 3HG ARG 36 -5.400 -3.346 1.710 269 HD2 ARG 36 2HD ARG 36 -7.161 -3.634 -0.004 270 HD3 ARG 36 3HD ARG 36 -7.179 -5.372 0.297 271 HE ARG 36 HE ARG 36 -7.707 -3.642 2.650 272 HH11 ARG 36 1HH2 ARG 36 -9.398 -5.247 0.004 273 HH12 ARG 36 2HH2 ARG 36 -10.807 -5.488 0.980 274 HH21 ARG 36 1HH1 ARG 36 -9.542 -3.725 3.643 275 HH22 ARG 36 2HH1 ARG 36 -10.958 -4.513 2.954 276 H LEU 37 H LEU 37 -2.016 -2.611 -1.039 277 HA LEU 37 HA LEU 37 -2.114 -0.446 1.009 278 HB2 LEU 37 2HB LEU 37 -0.236 -0.518 -1.368 279 HB3 LEU 37 3HB LEU 37 -0.274 0.596 0.023 280 HG LEU 37 HG LEU 37 1.607 -0.611 0.340 281 HD11 LEU 37 1HD1 LEU 37 -0.361 -2.088 2.098 282 HD12 LEU 37 2HD1 LEU 37 1.343 -1.700 2.425 283 HD13 LEU 37 3HD1 LEU 37 0.140 -0.401 2.283 284 HD21 LEU 37 3HD2 LEU 37 0.162 -3.286 0.030 285 HD22 LEU 37 1HD2 LEU 37 1.117 -2.502 -1.242 286 HD23 LEU 37 2HD2 LEU 37 1.889 -2.992 0.283 287 H SER 38 H SER 38 -2.720 1.676 0.263 288 HA SER 38 HA SER 38 -3.669 1.873 -2.504 289 HB2 SER 38 2HB SER 38 -5.839 2.936 -1.779 290 HB3 SER 38 3HB SER 38 -5.735 1.196 -1.553 291 HG SER 38 HG SER 38 -5.808 1.441 0.542 292 H LYS 39 H LYS 39 -4.160 4.000 -3.219 293 HA LYS 39 HA LYS 39 -2.957 6.206 -1.566 294 HB2 LYS 39 2HB LYS 39 -1.575 5.854 -3.463 295 HB3 LYS 39 3HB LYS 39 -2.955 5.809 -4.568 296 HG2 LYS 39 2HG LYS 39 -3.372 8.169 -4.291 297 HG3 LYS 39 3HG LYS 39 -2.185 8.293 -2.969 298 HD2 LYS 39 2HD LYS 39 -0.357 7.797 -4.443 299 HD3 LYS 39 3HD LYS 39 -1.461 7.370 -5.766 300 HE2 LYS 39 2HE LYS 39 -0.770 9.434 -6.446 301 HE3 LYS 39 3HE LYS 39 -2.283 9.831 -5.625 302 HZ1 LYS 39 3HZ LYS 39 0.417 10.027 -4.389 303 HZ2 LYS 39 1HZ LYS 39 -0.404 11.299 -5.017 304 HZ3 LYS 39 2HZ LYS 39 -0.994 10.548 -3.702 305 H LYS 40 H LYS 40 -4.245 7.828 -1.036 306 HA LYS 40 HA LYS 40 -7.050 7.879 -1.983 307 HB2 LYS 40 2HB LYS 40 -6.994 8.069 0.293 308 HB3 LYS 40 3HB LYS 40 -5.657 9.181 0.326 309 HG2 LYS 40 2HG LYS 40 -8.390 9.900 -0.919 310 HG3 LYS 40 3HG LYS 40 -8.091 10.018 0.805 311 HD2 LYS 40 2HD LYS 40 -6.885 11.716 -1.384 312 HD3 LYS 40 3HD LYS 40 -7.844 12.203 0.009 313 HE2 LYS 40 2HE LYS 40 -5.994 11.481 1.523 314 HE3 LYS 40 3HE LYS 40 -5.043 11.032 0.087 315 HZ1 LYS 40 3HZ LYS 40 -5.928 13.814 0.393 316 HZ2 LYS 40 1HZ LYS 40 -4.585 13.242 1.160 317 HZ3 LYS 40 2HZ LYS 40 -4.633 13.170 -0.447 318 H MET 41 H MET 41 -7.356 8.818 -3.857 319 HA MET 41 HA MET 41 -6.439 11.553 -4.305 320 HB2 MET 41 2HB MET 41 -5.303 11.140 -6.435 321 HB3 MET 41 3HB MET 41 -4.451 10.377 -5.098 322 HG2 MET 41 2HG MET 41 -5.461 8.186 -5.714 323 HG3 MET 41 3HG MET 41 -6.289 8.960 -7.072 324 HE1 MET 41 3HE MET 41 -5.313 7.153 -8.708 325 HE2 MET 41 1HE MET 41 -3.593 6.703 -8.762 326 HE3 MET 41 2HE MET 41 -4.547 6.398 -7.288 327 H VAL 42 H VAL 42 -7.790 12.664 -5.828 328 HA VAL 42 HA VAL 42 -10.113 11.469 -6.870 329 HB VAL 42 HB VAL 42 -9.948 13.843 -6.766 330 HG11 VAL 42 1HG1 VAL 42 -7.551 14.202 -7.230 331 HG12 VAL 42 2HG1 VAL 42 -7.811 13.750 -8.933 332 HG13 VAL 42 3HG1 VAL 42 -8.580 15.200 -8.262 333 HG21 VAL 42 3HG2 VAL 42 -10.122 13.028 -9.673 334 HG22 VAL 42 1HG2 VAL 42 -11.418 12.825 -8.459 335 HG23 VAL 42 2HG2 VAL 42 -10.860 14.447 -8.901 336 H ASP 43 H ASP 43 -10.546 10.100 -8.461 337 HA ASP 43 HA ASP 43 -8.399 8.583 -9.507 338 HB2 ASP 43 2HB ASP 43 -10.657 7.707 -9.004 339 HB3 ASP 43 3HB ASP 43 -11.302 8.599 -10.379 340 HA PRO 44 HA PRO 44 -7.426 11.239 -12.892 341 HB2 PRO 44 2HB PRO 44 -5.520 9.735 -14.212 342 HB3 PRO 44 3HB PRO 44 -5.241 10.500 -12.617 343 HG2 PRO 44 2HG PRO 44 -6.119 7.638 -13.172 344 HG3 PRO 44 3HG PRO 44 -4.774 8.196 -12.119 345 HD2 PRO 44 2HD PRO 44 -7.190 7.585 -11.102 346 HD3 PRO 44 3HD PRO 44 -6.270 8.989 -10.480 347 H GLU 45 H GLU 45 -8.957 8.193 -13.393 348 HA GLU 45 HA GLU 45 -9.481 8.723 -16.295 349 HB2 GLU 45 2HB GLU 45 -9.809 6.230 -14.583 350 HB3 GLU 45 3HB GLU 45 -10.210 6.341 -16.293 351 HG2 GLU 45 2HG GLU 45 -7.942 6.539 -16.954 352 HG3 GLU 45 3HG GLU 45 -7.387 6.967 -15.342 353 H LYS 46 H LYS 46 -10.835 9.066 -13.209 354 HA LYS 46 HA LYS 46 -13.632 9.448 -14.165 355 HB2 LYS 46 2HB LYS 46 -12.793 7.591 -11.915 356 HB3 LYS 46 3HB LYS 46 -14.459 8.025 -12.300 357 HG2 LYS 46 2HG LYS 46 -14.356 6.853 -14.412 358 HG3 LYS 46 3HG LYS 46 -12.653 6.436 -14.162 359 HD2 LYS 46 2HD LYS 46 -14.916 5.699 -12.270 360 HD3 LYS 46 3HD LYS 46 -14.278 4.610 -13.519 361 HE2 LYS 46 2HE LYS 46 -12.868 5.649 -11.027 362 HE3 LYS 46 3HE LYS 46 -13.326 3.985 -11.392 363 HZ1 LYS 46 3HZ LYS 46 -11.180 5.586 -12.683 364 HZ2 LYS 46 1HZ LYS 46 -10.992 4.280 -11.762 365 HZ3 LYS 46 2HZ LYS 46 -11.663 4.102 -13.255 366 HA PRO 47 HA PRO 47 -11.947 12.218 -10.726 367 HB2 PRO 47 2HB PRO 47 -12.151 14.716 -11.874 368 HB3 PRO 47 3HB PRO 47 -10.725 13.645 -12.007 369 HG2 PRO 47 2HG PRO 47 -13.018 13.941 -13.985 370 HG3 PRO 47 3HG PRO 47 -11.255 13.962 -14.324 371 HD2 PRO 47 2HD PRO 47 -12.723 11.715 -14.676 372 HD3 PRO 47 3HD PRO 47 -11.067 11.636 -14.000 373 H GLN 48 H GLN 48 -14.882 12.066 -12.512 374 HA GLN 48 HA GLN 48 -16.554 13.807 -10.958 375 HB2 GLN 48 2HB GLN 48 -17.210 11.256 -12.495 376 HB3 GLN 48 3HB GLN 48 -18.396 12.402 -11.876 377 HG2 GLN 48 2HG GLN 48 -16.300 12.994 -14.017 378 HG3 GLN 48 3HG GLN 48 -18.018 12.728 -14.276 379 HE21 GLN 48 2HE2 GLN 48 -19.561 14.361 -13.250 380 HE22 GLN 48 1HE2 GLN 48 -18.967 16.008 -13.085 381 H LEU 49 H LEU 49 -15.234 10.565 -10.198 382 HA LEU 49 HA LEU 49 -16.913 9.936 -7.967 383 HB2 LEU 49 2HB LEU 49 -13.960 9.561 -8.632 384 HB3 LEU 49 3HB LEU 49 -14.631 8.938 -7.143 385 HG LEU 49 HG LEU 49 -15.740 8.119 -9.855 386 HD11 LEU 49 1HD1 LEU 49 -13.595 6.882 -8.084 387 HD12 LEU 49 2HD1 LEU 49 -14.353 6.073 -9.482 388 HD13 LEU 49 3HD1 LEU 49 -13.376 7.551 -9.702 389 HD21 LEU 49 3HD2 LEU 49 -15.913 6.965 -7.027 390 HD22 LEU 49 1HD2 LEU 49 -17.239 7.741 -7.915 391 HD23 LEU 49 2HD2 LEU 49 -16.583 6.201 -8.491 392 H GLY 50 H GLY 50 -14.416 12.425 -8.277 393 HA2 GLY 50 2HA GLY 50 -13.222 13.646 -6.696 394 HA3 GLY 50 3HA GLY 50 -14.300 13.076 -5.417 395 H MET 51 H MET 51 -12.505 12.566 -4.137 396 HA MET 51 HA MET 51 -10.299 11.000 -4.888 397 HB2 MET 51 2HB MET 51 -11.093 11.525 -2.031 398 HB3 MET 51 3HB MET 51 -9.488 11.341 -2.739 399 HG2 MET 51 2HG MET 51 -10.170 13.515 -4.109 400 HG3 MET 51 3HG MET 51 -11.385 13.693 -2.847 401 HE1 MET 51 3HE MET 51 -7.918 14.474 -4.034 402 HE2 MET 51 1HE MET 51 -6.856 14.246 -2.620 403 HE3 MET 51 2HE MET 51 -7.678 12.849 -3.368 404 H ILE 52 H ILE 52 -9.872 8.875 -4.743 405 HA ILE 52 HA ILE 52 -11.623 7.154 -3.068 406 HB ILE 52 HB ILE 52 -11.197 5.293 -4.686 407 HG12 ILE 52 2HG1 ILE 52 -10.519 7.402 -6.764 408 HG13 ILE 52 3HG1 ILE 52 -9.261 6.551 -5.875 409 HG21 ILE 52 1HG2 ILE 52 -13.010 5.827 -6.144 410 HG22 ILE 52 2HG2 ILE 52 -13.324 6.463 -4.520 411 HG23 ILE 52 3HG2 ILE 52 -12.822 7.574 -5.828 412 HD11 ILE 52 3HD1 ILE 52 -9.574 5.387 -7.908 413 HD12 ILE 52 1HD1 ILE 52 -10.197 4.368 -6.601 414 HD13 ILE 52 2HD1 ILE 52 -11.329 5.250 -7.664 415 H ASP 53 H ASP 53 -10.656 5.205 -2.397 416 HA ASP 53 HA ASP 53 -7.721 5.360 -1.862 417 HB2 ASP 53 2HB ASP 53 -9.886 3.564 -0.699 418 HB3 ASP 53 3HB ASP 53 -8.170 3.453 -0.327 419 H ARG 54 H ARG 54 -7.071 4.930 -4.004 420 HA ARG 54 HA ARG 54 -8.040 2.616 -5.519 421 HB2 ARG 54 2HB ARG 54 -7.244 4.898 -6.374 422 HB3 ARG 54 3HB ARG 54 -5.590 4.309 -6.115 423 HG2 ARG 54 2HG ARG 54 -5.667 2.831 -7.859 424 HG3 ARG 54 3HG ARG 54 -7.419 2.608 -7.766 425 HD2 ARG 54 2HD ARG 54 -7.912 4.376 -9.090 426 HD3 ARG 54 3HD ARG 54 -6.643 5.394 -8.440 427 HE ARG 54 HE ARG 54 -5.049 3.881 -9.844 428 HH11 ARG 54 1HH2 ARG 54 -8.224 5.036 -11.032 429 HH12 ARG 54 2HH2 ARG 54 -7.665 4.771 -12.690 430 HH21 ARG 54 1HH1 ARG 54 -4.598 3.693 -12.080 431 HH22 ARG 54 2HH1 ARG 54 -5.890 4.124 -13.202 432 H TRP 55 H TRP 55 -7.339 0.548 -5.268 433 HA TRP 55 HA TRP 55 -5.139 0.066 -3.409 434 HB2 TRP 55 2HB TRP 55 -7.138 -1.838 -4.635 435 HB3 TRP 55 3HB TRP 55 -5.930 -2.265 -3.433 436 HD1 TRP 55 HD1 TRP 55 -9.332 -0.723 -3.760 437 HE1 TRP 55 HE1 TRP 55 -10.297 -0.151 -1.465 438 HE3 TRP 55 HE3 TRP 55 -5.153 -1.499 -0.882 439 HZ2 TRP 55 HZ2 TRP 55 -9.384 0.006 1.263 440 HZ3 TRP 55 HZ3 TRP 55 -5.209 -1.010 1.551 441 HH2 TRP 55 HH2 TRP 55 -7.320 -0.290 2.639 442 H TYR 56 H TYR 56 -3.514 -1.394 -3.619 443 HA TYR 56 HA TYR 56 -2.458 -2.328 -6.209 444 HB2 TYR 56 2HB TYR 56 -0.998 -0.590 -4.169 445 HB3 TYR 56 3HB TYR 56 -0.289 -1.291 -5.616 446 HD1 TYR 56 HD2 TYR 56 -0.899 -0.442 -7.848 447 HD2 TYR 56 HD1 TYR 56 -2.421 1.423 -4.301 448 HE1 TYR 56 HE2 TYR 56 -1.625 1.537 -9.206 449 HE2 TYR 56 HE1 TYR 56 -3.197 3.367 -5.646 450 HH TYR 56 HH TYR 56 -3.294 4.321 -7.717 451 H HIS 57 H HIS 57 -0.876 -3.972 -5.949 452 HA HIS 57 HA HIS 57 -1.057 -5.787 -3.630 453 HB2 HIS 57 2HB HIS 57 0.796 -5.778 -6.028 454 HB3 HIS 57 3HB HIS 57 0.856 -6.983 -4.773 455 HD2 HIS 57 HD2 HIS 57 -1.627 -8.356 -4.346 456 HE1 HIS 57 HE1 HIS 57 -2.607 -8.212 -8.477 457 HE2 HIS 57 HE2 HIS 57 -3.109 -9.369 -6.298 458 HA PRO 58 HA PRO 58 2.611 -4.235 -1.358 459 HB2 PRO 58 2HB PRO 58 3.412 -7.135 -1.187 460 HB3 PRO 58 3HB PRO 58 3.353 -5.897 0.111 461 HG2 PRO 58 2HG PRO 58 1.363 -7.701 -0.069 462 HG3 PRO 58 3HG PRO 58 0.957 -5.962 0.156 463 HD2 PRO 58 2HD PRO 58 1.004 -7.540 -2.436 464 HD3 PRO 58 3HD PRO 58 -0.292 -6.495 -1.785 465 H GLY 59 H GLY 59 3.115 -6.431 -4.068 466 HA2 GLY 59 2HA GLY 59 5.949 -5.693 -4.422 467 HA3 GLY 59 3HA GLY 59 4.956 -6.673 -5.503 468 H CYS 60 HN CYS 60 2.797 -4.771 -5.873 469 HA CYS 60 HA CYS 60 4.023 -3.279 -8.015 470 HB2 CYS 60 2HB CYS 60 1.130 -3.398 -7.137 471 HB3 CYS 60 3HB CYS 60 1.741 -2.894 -8.718 472 H PHE 61 H PHE 61 2.411 -2.300 -4.968 473 HA PHE 61 HA PHE 61 2.359 0.477 -5.597 474 HB2 PHE 61 2HB PHE 61 1.575 0.763 -3.532 475 HB3 PHE 61 3HB PHE 61 1.429 -0.985 -3.535 476 HD1 PHE 61 HD2 PHE 61 3.269 -2.361 -2.503 477 HD2 PHE 61 HD1 PHE 61 3.114 1.903 -2.103 478 HE1 PHE 61 HE2 PHE 61 4.741 -2.514 -0.488 479 HE2 PHE 61 HE1 PHE 61 4.536 1.771 -0.056 480 HZ PHE 61 HZ PHE 61 5.365 -0.435 0.743 481 H VAL 62 H VAL 62 5.014 -1.556 -4.437 482 HA VAL 62 HA VAL 62 7.010 0.524 -4.260 483 HB VAL 62 HB VAL 62 7.393 -2.426 -4.880 484 HG11 VAL 62 1HG1 VAL 62 9.340 -0.321 -3.851 485 HG12 VAL 62 2HG1 VAL 62 9.661 -2.066 -3.941 486 HG13 VAL 62 3HG1 VAL 62 9.406 -1.152 -5.427 487 HG21 VAL 62 3HG2 VAL 62 6.235 -2.207 -2.773 488 HG22 VAL 62 1HG2 VAL 62 7.918 -2.573 -2.430 489 HG23 VAL 62 2HG2 VAL 62 7.315 -0.910 -2.242 490 H LYS 63 H LYS 63 6.019 -1.568 -7.039 491 HA LYS 63 HA LYS 63 8.015 -0.565 -8.854 492 HB2 LYS 63 2HB LYS 63 5.296 -1.836 -9.321 493 HB3 LYS 63 3HB LYS 63 6.386 -1.376 -10.629 494 HG2 LYS 63 2HG LYS 63 8.149 -2.861 -9.653 495 HG3 LYS 63 3HG LYS 63 6.972 -3.449 -8.483 496 HD2 LYS 63 2HD LYS 63 6.761 -3.635 -11.521 497 HD3 LYS 63 3HD LYS 63 7.214 -4.960 -10.461 498 HE2 LYS 63 2HE LYS 63 4.514 -3.541 -10.308 499 HE3 LYS 63 3HE LYS 63 4.803 -4.936 -11.340 500 HZ1 LYS 63 3HZ LYS 63 3.855 -5.436 -9.088 501 HZ2 LYS 63 1HZ LYS 63 5.213 -6.293 -9.455 502 HZ3 LYS 63 2HZ LYS 63 5.291 -5.019 -8.424 503 H ASN 64 H ASN 64 4.743 0.657 -8.122 504 HA ASN 64 HA ASN 64 5.255 3.014 -9.866 505 HB2 ASN 64 2HB ASN 64 2.677 3.356 -9.308 506 HB3 ASN 64 3HB ASN 64 3.310 2.516 -10.702 507 HD21 ASN 64 1HD2 ASN 64 1.777 2.032 -7.510 508 HD22 ASN 64 2HD2 ASN 64 1.200 0.428 -7.964 509 H ARG 65 H ARG 65 6.260 2.445 -6.935 510 HA ARG 65 HA ARG 65 5.227 4.219 -5.159 511 HB2 ARG 65 2HB ARG 65 7.418 4.274 -4.113 512 HB3 ARG 65 3HB ARG 65 7.195 2.694 -4.825 513 HG2 ARG 65 2HG ARG 65 8.491 3.578 -6.876 514 HG3 ARG 65 3HG ARG 65 8.872 5.006 -5.901 515 HD2 ARG 65 2HD ARG 65 10.083 3.703 -4.307 516 HD3 ARG 65 3HD ARG 65 9.571 2.177 -5.045 517 HE ARG 65 HE ARG 65 11.715 3.961 -5.911 518 HH11 ARG 65 1HH2 ARG 65 9.577 1.423 -7.092 519 HH12 ARG 65 2HH2 ARG 65 10.687 0.992 -8.370 520 HH21 ARG 65 1HH1 ARG 65 13.041 3.355 -7.576 521 HH22 ARG 65 2HH1 ARG 65 12.578 2.060 -8.637 522 H GLU 66 H GLU 66 7.273 5.138 -7.879 523 HA GLU 66 HA GLU 66 7.456 7.912 -7.080 524 HB2 GLU 66 2HB GLU 66 8.682 8.198 -9.195 525 HB3 GLU 66 3HB GLU 66 9.312 6.897 -8.179 526 HG2 GLU 66 2HG GLU 66 8.236 5.202 -9.592 527 HG3 GLU 66 3HG GLU 66 7.490 6.460 -10.584 528 H GLU 67 H GLU 67 5.220 6.089 -9.020 529 HA GLU 67 HA GLU 67 3.871 8.440 -10.154 530 HB2 GLU 67 2HB GLU 67 3.956 6.307 -11.377 531 HB3 GLU 67 3HB GLU 67 3.040 5.524 -10.083 532 HG2 GLU 67 2HG GLU 67 1.106 6.942 -10.512 533 HG3 GLU 67 3HG GLU 67 2.027 7.920 -11.661 534 H LEU 68 H LEU 68 3.465 6.130 -7.430 535 HA LEU 68 HA LEU 68 1.144 7.434 -6.306 536 HB2 LEU 68 2HB LEU 68 3.271 5.733 -4.950 537 HB3 LEU 68 3HB LEU 68 1.713 6.169 -4.263 538 HG LEU 68 HG LEU 68 2.174 4.360 -6.672 539 HD11 LEU 68 1HD1 LEU 68 1.107 3.810 -3.879 540 HD12 LEU 68 2HD1 LEU 68 1.236 2.631 -5.197 541 HD13 LEU 68 3HD1 LEU 68 2.705 3.343 -4.502 542 HD21 LEU 68 3HD2 LEU 68 -0.459 5.117 -5.373 543 HD22 LEU 68 1HD2 LEU 68 0.074 5.594 -7.008 544 HD23 LEU 68 2HD2 LEU 68 -0.209 3.898 -6.635 545 H GLY 69 H GLY 69 4.596 8.156 -6.064 546 HA2 GLY 69 2HA GLY 69 5.214 10.471 -5.833 547 HA3 GLY 69 3HA GLY 69 3.856 10.748 -4.748 548 H PHE 70 H PHE 70 5.740 7.866 -4.163 549 HA PHE 70 HA PHE 70 6.651 8.684 -1.560 550 HB2 PHE 70 2HB PHE 70 7.265 6.381 -3.411 551 HB3 PHE 70 3HB PHE 70 8.241 6.637 -1.989 552 HD1 PHE 70 HD1 PHE 70 7.393 6.414 0.271 553 HD2 PHE 70 HD2 PHE 70 4.901 5.569 -3.148 554 HE1 PHE 70 HE1 PHE 70 5.837 5.147 1.719 555 HE2 PHE 70 HE2 PHE 70 3.358 4.276 -1.695 556 HZ PHE 70 HZ PHE 70 3.842 4.041 0.735 557 H ARG 71 H ARG 71 8.510 9.381 -0.833 558 HA ARG 71 HA ARG 71 10.953 9.596 -2.480 559 HB2 ARG 71 2HB ARG 71 9.761 11.801 -0.739 560 HB3 ARG 71 3HB ARG 71 11.435 11.792 -1.278 561 HG2 ARG 71 2HG ARG 71 10.827 12.033 -3.583 562 HG3 ARG 71 3HG ARG 71 9.119 11.712 -3.250 563 HD2 ARG 71 2HD ARG 71 9.504 14.117 -3.598 564 HD3 ARG 71 3HD ARG 71 8.869 13.736 -1.999 565 HE ARG 71 HE ARG 71 10.813 14.495 -0.983 566 HH11 ARG 71 1HH2 ARG 71 11.550 14.379 -4.424 567 HH12 ARG 71 2HH2 ARG 71 13.061 15.212 -4.174 568 HH21 ARG 71 1HH1 ARG 71 12.583 15.448 -0.747 569 HH22 ARG 71 2HH1 ARG 71 13.667 15.839 -2.089 570 HA PRO 72 HA PRO 72 12.739 7.576 0.994 571 HB2 PRO 72 2HB PRO 72 14.933 9.662 0.934 572 HB3 PRO 72 3HB PRO 72 15.079 7.878 1.049 573 HG2 PRO 72 2HG PRO 72 15.478 9.101 -1.321 574 HG3 PRO 72 3HG PRO 72 14.459 7.623 -1.262 575 HD2 PRO 72 2HD PRO 72 13.562 10.521 -1.340 576 HD3 PRO 72 3HD PRO 72 12.965 9.122 -2.281 577 H GLU 73 H GLU 73 12.326 11.086 1.367 578 HA GLU 73 HA GLU 73 12.840 11.206 4.182 579 HB2 GLU 73 2HB GLU 73 11.871 13.409 4.093 580 HB3 GLU 73 3HB GLU 73 12.919 13.150 2.699 581 HG2 GLU 73 2HG GLU 73 10.833 12.636 1.332 582 HG3 GLU 73 3HG GLU 73 9.870 13.125 2.729 583 H TYR 74 H TYR 74 10.041 10.101 2.419 584 HA TYR 74 HA TYR 74 8.717 9.522 4.991 585 HB2 TYR 74 2HB TYR 74 6.471 10.000 3.889 586 HB3 TYR 74 3HB TYR 74 7.433 11.259 4.620 587 HD1 TYR 74 HD1 TYR 74 7.767 9.843 1.158 588 HD2 TYR 74 HD2 TYR 74 6.726 13.209 3.626 589 HE1 TYR 74 HE1 TYR 74 7.261 11.207 -0.893 590 HE2 TYR 74 HE2 TYR 74 6.288 14.578 1.589 591 HH TYR 74 HH TYR 74 6.480 13.180 -1.705 592 H SER 75 H SER 75 9.586 7.695 4.880 593 HA SER 75 HA SER 75 9.554 5.520 3.195 594 HB2 SER 75 2HB SER 75 10.651 5.856 5.497 595 HB3 SER 75 3HB SER 75 9.098 5.418 6.208 596 HG SER 75 HG SER 75 10.294 3.568 6.084 597 H ALA 76 H ALA 76 8.461 3.451 3.518 598 HA ALA 76 HA ALA 76 5.617 3.343 3.184 599 HB1 ALA 76 1HB ALA 76 7.211 1.587 2.443 600 HB2 ALA 76 2HB ALA 76 7.560 1.192 4.142 601 HB3 ALA 76 3HB ALA 76 5.932 0.931 3.477 602 H SER 77 H SER 77 7.521 3.592 6.104 603 HA SER 77 HA SER 77 5.698 2.619 8.012 604 HB2 SER 77 2HB SER 77 7.453 5.059 8.432 605 HB3 SER 77 3HB SER 77 7.001 3.813 9.609 606 HG SER 77 HG SER 77 9.158 3.573 8.867 607 H GLN 78 H GLN 78 5.525 5.522 6.042 608 HA GLN 78 HA GLN 78 3.564 6.748 7.819 609 HB2 GLN 78 2HB GLN 78 5.029 7.919 5.440 610 HB3 GLN 78 3HB GLN 78 3.930 8.772 6.531 611 HG2 GLN 78 2HG GLN 78 5.468 8.012 8.467 612 HG3 GLN 78 3HG GLN 78 6.635 7.544 7.230 613 HE21 GLN 78 2HE2 GLN 78 4.697 10.376 8.351 614 HE22 GLN 78 1HE2 GLN 78 5.939 11.555 7.906 615 H LEU 79 H LEU 79 2.897 4.379 6.189 616 HA LEU 79 HA LEU 79 0.610 5.382 4.585 617 HB2 LEU 79 2HB LEU 79 1.624 2.594 5.311 618 HB3 LEU 79 3HB LEU 79 0.147 2.874 4.408 619 HG LEU 79 HG LEU 79 2.775 3.912 3.313 620 HD11 LEU 79 1HD1 LEU 79 3.133 1.483 3.819 621 HD12 LEU 79 2HD1 LEU 79 1.747 1.110 2.788 622 HD13 LEU 79 3HD1 LEU 79 3.175 1.890 2.097 623 HD21 LEU 79 3HD2 LEU 79 0.392 2.736 1.848 624 HD22 LEU 79 1HD2 LEU 79 0.456 4.420 2.352 625 HD23 LEU 79 2HD2 LEU 79 1.662 3.808 1.223 626 H LYS 80 H LYS 80 -1.480 5.441 5.329 627 HA LYS 80 HA LYS 80 -2.134 5.483 8.086 628 HB2 LYS 80 2HB LYS 80 -4.045 4.782 5.816 629 HB3 LYS 80 3HB LYS 80 -4.491 5.299 7.438 630 HG2 LYS 80 2HG LYS 80 -3.327 7.474 7.022 631 HG3 LYS 80 3HG LYS 80 -3.056 6.955 5.349 632 HD2 LYS 80 2HD LYS 80 -5.785 7.311 6.673 633 HD3 LYS 80 3HD LYS 80 -5.004 8.487 5.606 634 HE2 LYS 80 2HE LYS 80 -4.991 6.815 3.765 635 HE3 LYS 80 3HE LYS 80 -5.806 5.650 4.823 636 HZ1 LYS 80 3HZ LYS 80 -7.377 6.789 3.368 637 HZ2 LYS 80 1HZ LYS 80 -7.709 7.144 4.927 638 HZ3 LYS 80 2HZ LYS 80 -6.966 8.250 3.976 639 H GLY 81 H GLY 81 -2.540 3.932 9.571 640 HA2 GLY 81 2HA GLY 81 -3.127 1.893 10.505 641 HA3 GLY 81 3HA GLY 81 -3.680 1.351 8.923 642 H PHE 82 H PHE 82 -0.394 2.272 8.598 643 HA PHE 82 HA PHE 82 0.638 -0.313 8.140 644 HB2 PHE 82 2HB PHE 82 1.789 1.576 7.294 645 HB3 PHE 82 3HB PHE 82 1.818 2.385 8.851 646 HD1 PHE 82 HD2 PHE 82 3.418 1.839 10.580 647 HD2 PHE 82 HD1 PHE 82 3.563 -0.052 6.712 648 HE1 PHE 82 HE2 PHE 82 5.740 1.072 11.045 649 HE2 PHE 82 HE1 PHE 82 5.897 -0.783 7.165 650 HZ PHE 82 HZ PHE 82 6.979 -0.239 9.327 651 H SER 83 H SER 83 0.775 1.686 11.109 652 HA SER 83 HA SER 83 2.328 0.002 12.692 653 HB2 SER 83 2HB SER 83 0.123 1.915 13.542 654 HB3 SER 83 3HB SER 83 1.425 1.301 14.586 655 HG SER 83 HG SER 83 1.932 3.359 13.703 656 H LEU 84 H LEU 84 -1.018 -0.466 11.849 657 HA LEU 84 HA LEU 84 -1.584 -2.273 14.123 658 HB2 LEU 84 2HB LEU 84 -3.278 -1.112 11.875 659 HB3 LEU 84 3HB LEU 84 -3.864 -2.355 12.950 660 HG LEU 84 HG LEU 84 -4.724 -0.243 13.617 661 HD11 LEU 84 1HD1 LEU 84 -4.191 -0.250 15.972 662 HD12 LEU 84 2HD1 LEU 84 -4.226 -1.919 15.379 663 HD13 LEU 84 3HD1 LEU 84 -2.669 -1.113 15.686 664 HD21 LEU 84 3HD2 LEU 84 -1.934 0.752 14.275 665 HD22 LEU 84 1HD2 LEU 84 -2.856 1.225 12.824 666 HD23 LEU 84 2HD2 LEU 84 -3.472 1.613 14.439 667 H LEU 85 H LEU 85 -0.144 -2.638 11.092 668 HA LEU 85 HA LEU 85 -1.118 -5.344 10.501 669 HB2 LEU 85 2HB LEU 85 1.342 -3.818 9.602 670 HB3 LEU 85 3HB LEU 85 0.862 -5.380 8.967 671 HG LEU 85 HG LEU 85 -0.852 -2.867 8.717 672 HD11 LEU 85 1HD1 LEU 85 1.028 -4.179 6.702 673 HD12 LEU 85 2HD1 LEU 85 -0.041 -2.795 6.392 674 HD13 LEU 85 3HD1 LEU 85 1.312 -2.627 7.522 675 HD21 LEU 85 3HD2 LEU 85 -2.179 -4.874 8.489 676 HD22 LEU 85 1HD2 LEU 85 -1.944 -4.123 6.908 677 HD23 LEU 85 2HD2 LEU 85 -1.005 -5.561 7.336 678 H ALA 86 H ALA 86 0.572 -7.180 10.465 679 HA ALA 86 HA ALA 86 1.678 -7.632 13.101 680 HB1 ALA 86 1HB ALA 86 2.500 -9.719 12.125 681 HB2 ALA 86 2HB ALA 86 0.821 -9.445 11.620 682 HB3 ALA 86 3HB ALA 86 2.156 -9.126 10.488 683 H THR 87 H THR 87 3.866 -7.719 13.735 684 HA THR 87 HA THR 87 5.596 -5.704 12.906 685 HB THR 87 HB THR 87 6.461 -8.341 14.127 686 HG1 THR 87 1HG THR 87 5.936 -7.368 16.097 687 HG21 THR 87 1HG2 THR 87 8.347 -6.825 13.602 688 HG22 THR 87 2HG2 THR 87 7.526 -5.489 14.440 689 HG23 THR 87 3HG2 THR 87 8.098 -6.908 15.350 690 H GLU 88 H GLU 88 5.565 -9.107 11.763 691 HA GLU 88 HA GLU 88 7.945 -8.892 10.176 692 HB2 GLU 88 2HB GLU 88 7.266 -10.980 9.178 693 HB3 GLU 88 3HB GLU 88 7.038 -11.023 10.925 694 HG2 GLU 88 2HG GLU 88 4.579 -10.575 10.571 695 HG3 GLU 88 3HG GLU 88 4.850 -10.669 8.830 696 H ASP 89 H ASP 89 4.596 -7.963 9.448 697 HA ASP 89 HA ASP 89 5.197 -7.506 6.591 698 HB2 ASP 89 2HB ASP 89 2.751 -6.979 8.304 699 HB3 ASP 89 3HB ASP 89 2.888 -6.484 6.620 700 H LYS 90 H LYS 90 4.842 -5.569 9.564 701 HA LYS 90 HA LYS 90 5.265 -2.972 8.400 702 HB2 LYS 90 2HB LYS 90 5.839 -4.136 11.157 703 HB3 LYS 90 3HB LYS 90 6.106 -2.430 10.768 704 HG2 LYS 90 2HG LYS 90 3.828 -2.014 10.344 705 HG3 LYS 90 3HG LYS 90 3.440 -3.725 10.182 706 HD2 LYS 90 2HD LYS 90 2.506 -2.904 12.217 707 HD3 LYS 90 3HD LYS 90 3.756 -4.100 12.570 708 HE2 LYS 90 2HE LYS 90 5.336 -2.287 13.151 709 HE3 LYS 90 3HE LYS 90 4.119 -1.079 12.713 710 HZ1 LYS 90 3HZ LYS 90 3.847 -3.071 14.910 711 HZ2 LYS 90 1HZ LYS 90 4.110 -1.474 15.113 712 HZ3 LYS 90 2HZ LYS 90 2.686 -2.000 14.490 713 H GLU 91 H GLU 91 7.591 -5.415 9.560 714 HA GLU 91 HA GLU 91 9.961 -3.953 8.772 715 HB2 GLU 91 2HB GLU 91 9.348 -6.894 9.261 716 HB3 GLU 91 3HB GLU 91 10.937 -6.352 8.736 717 HG2 GLU 91 2HG GLU 91 9.522 -5.400 11.257 718 HG3 GLU 91 3HG GLU 91 10.787 -6.629 11.194 719 H ALA 92 H ALA 92 8.057 -6.477 7.032 720 HA ALA 92 HA ALA 92 9.745 -6.540 4.777 721 HB1 ALA 92 1HB ALA 92 8.131 -8.283 5.333 722 HB2 ALA 92 2HB ALA 92 6.783 -7.173 4.970 723 HB3 ALA 92 3HB ALA 92 7.884 -7.698 3.677 724 H LEU 93 H LEU 93 6.969 -4.341 5.382 725 HA LEU 93 HA LEU 93 6.899 -3.234 2.717 726 HB2 LEU 93 2HB LEU 93 5.962 -2.264 5.438 727 HB3 LEU 93 3HB LEU 93 5.717 -1.318 3.973 728 HG LEU 93 HG LEU 93 4.637 -4.146 4.337 729 HD11 LEU 93 1HD1 LEU 93 3.246 -1.448 4.619 730 HD12 LEU 93 2HD1 LEU 93 2.465 -3.042 4.700 731 HD13 LEU 93 3HD1 LEU 93 3.627 -2.573 5.947 732 HD21 LEU 93 3HD2 LEU 93 3.190 -3.558 2.433 733 HD22 LEU 93 1HD2 LEU 93 4.015 -1.992 2.277 734 HD23 LEU 93 2HD2 LEU 93 4.891 -3.510 1.970 735 H LYS 94 H LYS 94 8.648 -2.195 5.689 736 HA LYS 94 HA LYS 94 10.024 0.025 4.444 737 HB2 LYS 94 2HB LYS 94 10.753 -1.730 6.821 738 HB3 LYS 94 3HB LYS 94 11.595 -0.245 6.370 739 HG2 LYS 94 2HG LYS 94 9.541 1.074 6.728 740 HG3 LYS 94 3HG LYS 94 8.656 -0.379 7.188 741 HD2 LYS 94 2HD LYS 94 11.058 0.799 8.654 742 HD3 LYS 94 3HD LYS 94 9.367 0.888 9.171 743 HE2 LYS 94 2HE LYS 94 9.277 -1.580 9.368 744 HE3 LYS 94 3HE LYS 94 10.960 -1.690 8.841 745 HZ1 LYS 94 3HZ LYS 94 11.584 -0.401 10.825 746 HZ2 LYS 94 1HZ LYS 94 10.031 -0.425 11.353 747 HZ3 LYS 94 2HZ LYS 94 10.879 -1.828 11.193 748 H LYS 95 H LYS 95 10.855 -3.445 4.878 749 HA LYS 95 HA LYS 95 13.474 -3.221 3.794 750 HB2 LYS 95 2HB LYS 95 11.573 -5.530 4.192 751 HB3 LYS 95 3HB LYS 95 13.115 -5.789 3.377 752 HG2 LYS 95 2HG LYS 95 14.399 -5.095 5.231 753 HG3 LYS 95 3HG LYS 95 13.011 -4.375 6.064 754 HD2 LYS 95 2HD LYS 95 12.080 -6.493 6.618 755 HD3 LYS 95 3HD LYS 95 13.098 -7.345 5.458 756 HE2 LYS 95 2HE LYS 95 13.811 -7.728 7.787 757 HE3 LYS 95 3HE LYS 95 15.070 -7.038 6.762 758 HZ1 LYS 95 3HZ LYS 95 14.590 -4.855 7.776 759 HZ2 LYS 95 1HZ LYS 95 13.481 -5.513 8.788 760 HZ3 LYS 95 2HZ LYS 95 15.039 -5.943 8.900 761 H GLN 96 H GLN 96 10.458 -3.419 2.077 762 HA GLN 96 HA GLN 96 11.820 -3.768 -0.545 763 HB2 GLN 96 2HB GLN 96 8.896 -3.645 0.266 764 HB3 GLN 96 3HB GLN 96 9.474 -3.811 -1.399 765 HG2 GLN 96 2HG GLN 96 10.481 -5.947 -0.974 766 HG3 GLN 96 3HG GLN 96 10.230 -5.809 0.767 767 HE21 GLN 96 2HE2 GLN 96 7.970 -5.725 1.558 768 HE22 GLN 96 1HE2 GLN 96 6.741 -6.619 0.647 769 H LEU 97 H LEU 97 10.255 -1.249 1.400 770 HA LEU 97 HA LEU 97 11.169 0.800 -0.542 771 HB2 LEU 97 2HB LEU 97 8.812 0.213 -0.999 772 HB3 LEU 97 3HB LEU 97 8.384 0.582 0.664 773 HG LEU 97 HG LEU 97 9.027 2.992 0.252 774 HD11 LEU 97 1HD1 LEU 97 9.390 2.020 -2.606 775 HD12 LEU 97 2HD1 LEU 97 9.303 3.725 -2.092 776 HD13 LEU 97 3HD1 LEU 97 10.653 2.719 -1.564 777 HD21 LEU 97 3HD2 LEU 97 7.100 3.444 -1.263 778 HD22 LEU 97 1HD2 LEU 97 6.999 1.711 -1.621 779 HD23 LEU 97 2HD2 LEU 97 6.738 2.306 0.039 780 HA PRO 98 HA PRO 98 12.090 1.854 3.841 781 HB2 PRO 98 2HB PRO 98 14.851 1.882 3.794 782 HB3 PRO 98 3HB PRO 98 13.861 0.432 4.070 783 HG2 PRO 98 2HG PRO 98 15.376 1.217 1.625 784 HG3 PRO 98 3HG PRO 98 14.854 -0.408 2.173 785 HD2 PRO 98 2HD PRO 98 13.618 1.257 0.186 786 HD3 PRO 98 3HD PRO 98 13.056 -0.311 0.825 787 H GLY 99 H GLY 99 12.364 3.954 4.647 788 HA2 GLY 99 2HA GLY 99 13.300 6.114 2.835 789 HA3 GLY 99 3HA GLY 99 12.350 6.298 4.293 790 H VAL 100 H VAL 100 13.910 7.978 4.523 791 HA VAL 100 HA VAL 100 16.674 7.512 5.265 792 HB VAL 100 HB VAL 100 14.865 9.937 5.661 793 HG11 VAL 100 1HG1 VAL 100 17.889 9.706 5.989 794 HG12 VAL 100 2HG1 VAL 100 16.981 11.231 5.930 795 HG13 VAL 100 3HG1 VAL 100 16.704 10.111 7.261 796 HG21 VAL 100 3HG2 VAL 100 16.086 10.886 3.747 797 HG22 VAL 100 1HG2 VAL 100 17.024 9.382 3.580 798 HG23 VAL 100 2HG2 VAL 100 15.273 9.392 3.291 799 H LYS 101 H LYS 101 17.598 7.171 7.072 800 HA LYS 101 HA LYS 101 16.072 7.237 9.635 801 HB2 LYS 101 2HB LYS 101 16.380 4.931 8.313 802 HB3 LYS 101 3HB LYS 101 17.993 4.997 9.023 803 HG2 LYS 101 2HG LYS 101 16.603 5.532 11.258 804 HG3 LYS 101 3HG LYS 101 15.254 4.923 10.322 805 HD2 LYS 101 2HD LYS 101 16.274 3.199 11.808 806 HD3 LYS 101 3HD LYS 101 16.302 2.734 10.109 807 HE2 LYS 101 2HE LYS 101 18.394 2.159 11.328 808 HE3 LYS 101 3HE LYS 101 18.663 3.180 9.918 809 HZ1 LYS 101 3HZ LYS 101 18.891 5.097 11.398 810 HZ2 LYS 101 1HZ LYS 101 18.539 4.190 12.714 811 HZ3 LYS 101 2HZ LYS 101 19.927 3.923 11.882 812 H SER 102 H SER 102 18.302 8.946 8.401 813 HA SER 102 HA SER 102 20.711 8.551 9.837 814 HB2 SER 102 2HB SER 102 19.625 11.146 8.687 815 HB3 SER 102 3HB SER 102 21.322 10.758 9.032 816 HG SER 102 HG SER 102 20.836 10.435 6.824 817 H GLU 103 H GLU 103 17.754 10.045 10.928 818 HA GLU 103 HA GLU 103 18.807 11.546 13.163 819 HB2 GLU 103 2HB GLU 103 16.635 11.953 12.214 820 HB3 GLU 103 3HB GLU 103 16.088 10.318 12.536 821 HG2 GLU 103 2HG GLU 103 16.978 11.951 14.911 822 HG3 GLU 103 3HG GLU 103 15.527 12.476 14.074 823 H GLY 104 H GLY 104 18.182 8.130 12.648 824 HA2 GLY 104 2HA GLY 104 19.566 6.650 14.120 825 HA3 GLY 104 3HA GLY 104 18.847 7.480 15.501 826 H LYS 105 H LYS 105 16.225 7.589 15.081 827 HA LYS 105 HA LYS 105 15.254 4.785 14.587 828 HB2 LYS 105 2HB LYS 105 15.004 6.341 17.198 829 HB3 LYS 105 3HB LYS 105 14.161 4.829 16.838 830 HG2 LYS 105 2HG LYS 105 16.362 3.682 16.562 831 HG3 LYS 105 3HG LYS 105 17.173 5.176 17.076 832 HD2 LYS 105 2HD LYS 105 15.960 5.107 19.234 833 HD3 LYS 105 3HD LYS 105 15.156 3.602 18.731 834 HE2 LYS 105 2HE LYS 105 17.373 2.500 18.499 835 HE3 LYS 105 3HE LYS 105 18.173 3.995 19.001 836 HZ1 LYS 105 3HZ LYS 105 16.298 2.417 20.688 837 HZ2 LYS 105 1HZ LYS 105 17.919 2.460 20.864 838 HZ3 LYS 105 2HZ LYS 105 17.037 3.801 21.152 839 H ARG 106 H ARG 106 14.604 8.052 14.182 840 HA ARG 106 HA ARG 106 12.815 9.383 13.811 841 HB2 ARG 106 2HB ARG 106 11.371 6.859 12.916 842 HB3 ARG 106 3HB ARG 106 10.720 8.498 12.811 843 HG2 ARG 106 2HG ARG 106 12.647 9.183 11.396 844 HG3 ARG 106 3HG ARG 106 13.233 7.507 11.403 845 HD2 ARG 106 2HD ARG 106 11.183 6.738 10.316 846 HD3 ARG 106 3HD ARG 106 10.460 8.344 10.463 847 HE ARG 106 HE ARG 106 12.934 7.839 8.823 848 HH11 ARG 106 1HH2 ARG 106 9.701 9.283 8.915 849 HH12 ARG 106 2HH2 ARG 106 9.941 10.023 7.356 850 HH21 ARG 106 1HH1 ARG 106 13.116 8.826 6.951 851 HH22 ARG 106 2HH1 ARG 106 11.799 9.828 6.312 852 H LYS 107 H LYS 107 13.388 9.173 16.204 853 HA LYS 107 HA LYS 107 10.930 8.634 17.842 854 HB2 LYS 107 2HB LYS 107 13.881 8.336 18.452 855 HB3 LYS 107 3HB LYS 107 12.748 8.616 19.767 856 HG2 LYS 107 2HG LYS 107 12.356 6.362 17.762 857 HG3 LYS 107 3HG LYS 107 13.293 6.181 19.253 858 HD2 LYS 107 2HD LYS 107 11.347 6.753 20.622 859 HD3 LYS 107 3HD LYS 107 10.371 7.059 19.175 860 HE2 LYS 107 2HE LYS 107 10.666 4.708 18.464 861 HE3 LYS 107 3HE LYS 107 11.606 4.378 19.929 862 HZ1 LYS 107 3HZ LYS 107 9.213 3.789 20.137 863 HZ2 LYS 107 1HZ LYS 107 9.647 4.911 21.245 864 HZ3 LYS 107 2HZ LYS 107 8.796 5.363 19.926 865 H GLY 108 H GLY 108 12.803 11.219 16.660 866 HA2 GLY 108 2HA GLY 108 12.616 13.174 18.640 867 HA3 GLY 108 3HA GLY 108 12.443 13.463 16.894 868 H ASP 109 H ASP 109 9.981 11.885 16.728 869 HA ASP 109 HA ASP 109 7.961 13.856 17.409 870 HB2 ASP 109 2HB ASP 109 8.031 12.449 15.370 871 HB3 ASP 109 3HB ASP 109 7.868 11.003 16.356 872 H GLU 110 H GLU 110 9.394 11.376 19.272 873 HA GLU 110 HA GLU 110 6.991 11.165 21.024 874 HB2 GLU 110 2HB GLU 110 8.959 8.919 20.470 875 HB3 GLU 110 3HB GLU 110 7.380 8.823 21.263 876 HG2 GLU 110 2HG GLU 110 6.372 9.577 19.028 877 HG3 GLU 110 3HG GLU 110 7.970 9.305 18.315 878 H VAL 111 H VAL 111 10.466 11.403 20.947 879 HA VAL 111 HA VAL 111 10.738 10.919 23.833 880 HB VAL 111 HB VAL 111 12.190 9.940 21.968 881 HG11 VAL 111 1HG1 VAL 111 14.132 11.149 21.242 882 HG12 VAL 111 2HG1 VAL 111 12.715 12.135 20.847 883 HG13 VAL 111 3HG1 VAL 111 13.723 12.555 22.243 884 HG21 VAL 111 3HG2 VAL 111 13.644 11.168 24.330 885 HG22 VAL 111 1HG2 VAL 111 12.688 9.669 24.359 886 HG23 VAL 111 2HG2 VAL 111 14.146 9.773 23.359 887 H ASP 112 H ASP 112 10.158 13.622 22.059 888 HA ASP 112 HA ASP 112 11.807 15.580 23.478 889 HB2 ASP 112 2HB ASP 112 11.221 15.874 21.123 890 HB3 ASP 112 3HB ASP 112 9.508 15.926 21.527 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 4.102 22.973 11.566 2 H2 GLY 1 H2 GLY 1 4.618 22.916 10.014 3 H3 GLY 1 H3 GLY 1 5.708 22.954 11.237 4 HA2 GLY 1 2HA GLY 1 5.564 20.730 10.331 5 HA3 GLY 1 3HA GLY 1 5.027 20.792 12.020 6 H SER 2 H SER 2 4.315 18.810 10.026 7 HA SER 2 HA SER 2 1.715 19.219 8.933 8 HB2 SER 2 2HB SER 2 3.088 16.613 9.694 9 HB3 SER 2 3HB SER 2 1.706 16.792 8.595 10 HG SER 2 HG SER 2 3.715 16.677 7.469 11 H LYS 3 H LYS 3 -0.327 18.506 9.542 12 HA LYS 3 HA LYS 3 -0.893 18.457 12.419 13 HB2 LYS 3 2HB LYS 3 -2.745 18.167 10.014 14 HB3 LYS 3 3HB LYS 3 -3.263 18.393 11.675 15 HG2 LYS 3 2HG LYS 3 -1.735 20.389 9.953 16 HG3 LYS 3 3HG LYS 3 -3.419 20.484 10.443 17 HD2 LYS 3 2HD LYS 3 -0.998 20.734 12.280 18 HD3 LYS 3 3HD LYS 3 -2.048 22.037 11.723 19 HE2 LYS 3 2HE LYS 3 -3.988 20.971 12.872 20 HE3 LYS 3 3HE LYS 3 -2.922 19.694 13.475 21 HZ1 LYS 3 3HZ LYS 3 -1.658 21.407 14.669 22 HZ2 LYS 3 1HZ LYS 3 -2.648 22.584 14.114 23 HZ3 LYS 3 2HZ LYS 3 -3.223 21.444 15.127 24 H ALA 4 H ALA 4 -0.580 15.989 9.977 25 HA ALA 4 HA ALA 4 -1.896 13.899 11.532 26 HB1 ALA 4 1HB ALA 4 -0.076 13.756 9.095 27 HB2 ALA 4 2HB ALA 4 -1.031 12.416 9.763 28 HB3 ALA 4 3HB ALA 4 -1.854 13.829 9.077 29 H GLU 5 H GLU 5 -0.948 12.261 12.722 30 HA GLU 5 HA GLU 5 1.646 12.954 13.959 31 HB2 GLU 5 2HB GLU 5 -0.533 10.996 14.767 32 HB3 GLU 5 3HB GLU 5 0.915 11.364 15.710 33 HG2 GLU 5 2HG GLU 5 0.226 13.760 15.821 34 HG3 GLU 5 3HG GLU 5 -1.270 13.357 14.974 35 H LYS 6 H LYS 6 0.789 10.884 11.486 36 HA LYS 6 HA LYS 6 3.216 9.187 11.811 37 HB2 LYS 6 2HB LYS 6 1.341 8.023 12.960 38 HB3 LYS 6 3HB LYS 6 0.406 8.038 11.464 39 HG2 LYS 6 2HG LYS 6 2.272 6.691 10.376 40 HG3 LYS 6 3HG LYS 6 3.045 6.584 11.960 41 HD2 LYS 6 2HD LYS 6 0.327 5.495 11.114 42 HD3 LYS 6 3HD LYS 6 1.762 4.551 11.498 43 HE2 LYS 6 2HE LYS 6 0.163 6.258 13.473 44 HE3 LYS 6 3HE LYS 6 0.039 4.509 13.296 45 HZ1 LYS 6 3HZ LYS 6 2.519 5.923 14.125 46 HZ2 LYS 6 1HZ LYS 6 1.520 5.101 15.122 47 HZ3 LYS 6 2HZ LYS 6 2.343 4.299 13.959 48 H THR 7 H THR 7 0.313 9.403 9.751 49 HA THR 7 HA THR 7 1.702 8.569 7.400 50 HB THR 7 HB THR 7 -1.052 9.806 7.559 51 HG1 THR 7 1HG THR 7 -1.795 7.992 8.364 52 HG21 THR 7 1HG2 THR 7 -1.627 8.624 5.651 53 HG22 THR 7 2HG2 THR 7 0.039 8.965 5.262 54 HG23 THR 7 3HG2 THR 7 -0.363 7.393 5.893 55 H LEU 8 H LEU 8 2.136 9.701 5.435 56 HA LEU 8 HA LEU 8 2.431 12.595 5.576 57 HB2 LEU 8 2HB LEU 8 3.466 12.533 3.582 58 HB3 LEU 8 3HB LEU 8 3.794 10.910 4.154 59 HG LEU 8 HG LEU 8 1.700 11.740 2.077 60 HD11 LEU 8 1HD1 LEU 8 4.036 11.837 1.292 61 HD12 LEU 8 2HD1 LEU 8 4.270 10.148 1.791 62 HD13 LEU 8 3HD1 LEU 8 3.122 10.548 0.498 63 HD21 LEU 8 3HD2 LEU 8 0.866 9.762 3.273 64 HD22 LEU 8 1HD2 LEU 8 1.440 9.302 1.673 65 HD23 LEU 8 2HD2 LEU 8 2.439 8.981 3.112 66 H GLY 9 H GLY 9 -0.326 10.725 5.096 67 HA2 GLY 9 2HA GLY 9 -2.500 11.538 5.047 68 HA3 GLY 9 3HA GLY 9 -1.942 13.077 4.406 69 H ASP 10 H ASP 10 -0.920 10.141 2.650 70 HA ASP 10 HA ASP 10 -2.994 10.704 0.597 71 HB2 ASP 10 2HB ASP 10 -0.564 11.895 0.433 72 HB3 ASP 10 3HB ASP 10 -0.187 10.359 -0.362 73 H PHE 11 H PHE 11 -1.058 8.248 2.158 74 HA PHE 11 HA PHE 11 -2.472 6.271 0.537 75 HB2 PHE 11 2HB PHE 11 -0.287 4.930 0.269 76 HB3 PHE 11 3HB PHE 11 -0.707 6.196 -0.837 77 HD1 PHE 11 HD2 PHE 11 1.282 6.050 2.416 78 HD2 PHE 11 HD1 PHE 11 1.050 7.370 -1.687 79 HE1 PHE 11 HE2 PHE 11 3.637 6.790 2.516 80 HE2 PHE 11 HE1 PHE 11 3.379 8.196 -1.543 81 HZ PHE 11 HZ PHE 11 4.690 7.876 0.549 82 H ALA 12 H ALA 12 -2.497 4.123 1.341 83 HA ALA 12 HA ALA 12 -2.400 3.969 4.319 84 HB1 ALA 12 1HB ALA 12 -4.756 3.310 2.514 85 HB2 ALA 12 2HB ALA 12 -4.724 3.206 4.281 86 HB3 ALA 12 3HB ALA 12 -4.609 4.789 3.473 87 H ALA 13 H ALA 13 -2.590 1.838 5.225 88 HA ALA 13 HA ALA 13 -2.123 -0.470 3.395 89 HB1 ALA 13 1HB ALA 13 -0.589 0.205 5.945 90 HB2 ALA 13 2HB ALA 13 -0.313 -1.187 4.861 91 HB3 ALA 13 3HB ALA 13 -0.002 0.468 4.291 92 H GLU 14 H GLU 14 -3.007 -2.428 4.040 93 HA GLU 14 HA GLU 14 -4.277 -2.863 6.630 94 HB2 GLU 14 2HB GLU 14 -5.833 -1.415 5.022 95 HB3 GLU 14 3HB GLU 14 -6.030 -2.936 4.151 96 HG2 GLU 14 2HG GLU 14 -6.894 -3.968 6.292 97 HG3 GLU 14 3HG GLU 14 -6.628 -2.429 7.106 98 H TYR 15 H TYR 15 -5.518 -5.135 6.343 99 HA TYR 15 HA TYR 15 -4.106 -6.878 4.362 100 HB2 TYR 15 2HB TYR 15 -5.730 -7.647 6.786 101 HB3 TYR 15 3HB TYR 15 -5.099 -8.766 5.581 102 HD1 TYR 15 HD2 TYR 15 -4.173 -6.402 8.279 103 HD2 TYR 15 HD1 TYR 15 -2.696 -9.266 5.420 104 HE1 TYR 15 HE2 TYR 15 -2.021 -6.540 9.514 105 HE2 TYR 15 HE1 TYR 15 -0.484 -9.297 6.598 106 HH TYR 15 HH TYR 15 0.753 -8.443 8.272 107 H ALA 16 H ALA 16 -5.268 -8.127 2.935 108 HA ALA 16 HA ALA 16 -7.432 -6.772 1.700 109 HB1 ALA 16 1HB ALA 16 -6.195 -9.479 1.222 110 HB2 ALA 16 2HB ALA 16 -7.314 -8.660 0.103 111 HB3 ALA 16 3HB ALA 16 -5.725 -7.946 0.463 112 H LYS 17 H LYS 17 -9.296 -6.642 2.853 113 HA LYS 17 HA LYS 17 -10.471 -8.789 4.367 114 HB2 LYS 17 2HB LYS 17 -11.435 -6.052 3.455 115 HB3 LYS 17 3HB LYS 17 -12.463 -7.139 4.400 116 HG2 LYS 17 2HG LYS 17 -10.916 -7.203 6.236 117 HG3 LYS 17 3HG LYS 17 -9.677 -6.328 5.326 118 HD2 LYS 17 2HD LYS 17 -10.997 -4.303 5.299 119 HD3 LYS 17 3HD LYS 17 -12.386 -5.132 6.040 120 HE2 LYS 17 2HE LYS 17 -11.174 -5.519 8.093 121 HE3 LYS 17 3HE LYS 17 -9.653 -4.973 7.376 122 HZ1 LYS 17 3HZ LYS 17 -10.460 -2.755 7.272 123 HZ2 LYS 17 1HZ LYS 17 -11.992 -3.179 7.720 124 HZ3 LYS 17 2HZ LYS 17 -10.756 -3.274 8.787 125 H SER 18 H SER 18 -10.717 -8.072 0.989 126 HA SER 18 HA SER 18 -12.168 -10.582 0.653 127 HB2 SER 18 2HB SER 18 -14.023 -8.907 0.789 128 HB3 SER 18 3HB SER 18 -13.333 -8.068 -0.621 129 HG SER 18 HG SER 18 -15.029 -9.795 -0.931 130 H ASN 19 H ASN 19 -11.911 -11.495 -1.380 131 HA ASN 19 HA ASN 19 -9.685 -10.628 -3.041 132 HB2 ASN 19 2HB ASN 19 -10.223 -13.006 -2.566 133 HB3 ASN 19 3HB ASN 19 -11.775 -12.814 -3.395 134 HD21 ASN 19 2HD2 ASN 19 -8.383 -11.818 -4.320 135 HD22 ASN 19 1HD2 ASN 19 -8.415 -12.803 -5.775 136 H ARG 20 H ARG 20 -12.852 -9.521 -2.835 137 HA ARG 20 HA ARG 20 -13.269 -8.665 -5.581 138 HB2 ARG 20 2HB ARG 20 -14.180 -7.468 -2.919 139 HB3 ARG 20 3HB ARG 20 -14.756 -6.943 -4.496 140 HG2 ARG 20 2HG ARG 20 -15.178 -9.730 -3.330 141 HG3 ARG 20 3HG ARG 20 -16.361 -8.417 -3.361 142 HD2 ARG 20 2HD ARG 20 -16.228 -8.414 -5.854 143 HD3 ARG 20 3HD ARG 20 -15.134 -9.815 -5.764 144 HE ARG 20 HE ARG 20 -17.446 -10.466 -4.278 145 HH11 ARG 20 1HH2 ARG 20 -16.698 -9.870 -7.650 146 HH12 ARG 20 2HH2 ARG 20 -17.998 -10.885 -8.212 147 HH21 ARG 20 1HH1 ARG 20 -19.086 -11.743 -5.064 148 HH22 ARG 20 2HH1 ARG 20 -19.310 -11.915 -6.780 149 H SER 21 H SER 21 -11.005 -7.644 -3.164 150 HA SER 21 HA SER 21 -10.396 -5.002 -4.144 151 HB2 SER 21 2HB SER 21 -8.497 -7.031 -2.902 152 HB3 SER 21 3HB SER 21 -8.265 -5.272 -3.017 153 HG SER 21 HG SER 21 -10.041 -6.777 -1.423 154 H THR 22 H THR 22 -9.096 -4.336 -5.875 155 HA THR 22 HA THR 22 -7.584 -6.399 -7.418 156 HB THR 22 HB THR 22 -9.332 -4.282 -8.664 157 HG1 THR 22 1HG THR 22 -10.546 -6.016 -7.904 158 HG21 THR 22 1HG2 THR 22 -8.847 -5.414 -10.811 159 HG22 THR 22 2HG2 THR 22 -7.384 -4.729 -10.105 160 HG23 THR 22 3HG2 THR 22 -7.694 -6.477 -9.987 161 H CYS 23 HN CYS 23 -5.663 -5.819 -8.107 162 HA CYS 23 HA CYS 23 -4.443 -3.435 -7.055 163 HB2 CYS 23 2HB CYS 23 -3.372 -5.595 -7.079 164 HB3 CYS 23 3HB CYS 23 -3.591 -5.723 -8.826 165 H LYS 24 H LYS 24 -4.785 -1.565 -7.953 166 HA LYS 24 HA LYS 24 -5.249 -1.094 -10.789 167 HB2 LYS 24 2HB LYS 24 -4.651 0.813 -8.512 168 HB3 LYS 24 3HB LYS 24 -5.278 1.263 -10.103 169 HG2 LYS 24 2HG LYS 24 -6.721 -0.408 -7.983 170 HG3 LYS 24 3HG LYS 24 -7.081 1.244 -8.437 171 HD2 LYS 24 2HD LYS 24 -7.690 0.476 -10.737 172 HD3 LYS 24 3HD LYS 24 -7.443 -1.207 -10.200 173 HE2 LYS 24 2HE LYS 24 -9.147 -0.931 -8.449 174 HE3 LYS 24 3HE LYS 24 -9.380 0.760 -8.910 175 HZ1 LYS 24 3HZ LYS 24 -10.163 -0.001 -11.089 176 HZ2 LYS 24 1HZ LYS 24 -9.951 -1.569 -10.672 177 HZ3 LYS 24 2HZ LYS 24 -11.072 -0.662 -9.910 178 H GLY 25 H GLY 25 -2.459 -1.763 -9.010 179 HA2 GLY 25 2HA GLY 25 -0.512 -0.299 -10.612 180 HA3 GLY 25 3HA GLY 25 -0.210 -1.676 -9.548 181 H CYS 26 HN CYS 26 -1.673 -3.694 -10.629 182 HA CYS 26 HA CYS 26 -0.537 -3.988 -13.367 183 HB2 CYS 26 2HB CYS 26 0.281 -6.126 -12.937 184 HB3 CYS 26 3HB CYS 26 0.854 -5.079 -11.641 185 H MET 27 H MET 27 -3.516 -3.956 -11.991 186 HA MET 27 HA MET 27 -5.572 -4.594 -12.622 187 HB2 MET 27 2HB MET 27 -4.357 -5.221 -15.326 188 HB3 MET 27 3HB MET 27 -6.076 -5.130 -14.983 189 HG2 MET 27 2HG MET 27 -4.288 -2.745 -14.465 190 HG3 MET 27 3HG MET 27 -4.883 -3.139 -16.071 191 HE1 MET 27 3HE MET 27 -6.417 -2.701 -12.323 192 HE2 MET 27 1HE MET 27 -5.453 -1.326 -12.912 193 HE3 MET 27 2HE MET 27 -7.213 -1.163 -12.703 194 H GLU 28 H GLU 28 -4.398 -6.379 -11.006 195 HA GLU 28 HA GLU 28 -5.789 -8.859 -11.861 196 HB2 GLU 28 2HB GLU 28 -2.991 -8.852 -10.663 197 HB3 GLU 28 3HB GLU 28 -4.059 -10.253 -10.755 198 HG2 GLU 28 2HG GLU 28 -4.165 -9.913 -13.272 199 HG3 GLU 28 3HG GLU 28 -2.894 -8.699 -13.097 200 H LYS 29 H LYS 29 -6.693 -10.078 -10.165 201 HA LYS 29 HA LYS 29 -7.654 -8.367 -8.064 202 HB2 LYS 29 2HB LYS 29 -9.032 -10.229 -7.362 203 HB3 LYS 29 3HB LYS 29 -9.134 -9.939 -9.096 204 HG2 LYS 29 2HG LYS 29 -7.543 -11.878 -9.465 205 HG3 LYS 29 3HG LYS 29 -7.559 -12.163 -7.722 206 HD2 LYS 29 2HD LYS 29 -9.086 -13.706 -8.698 207 HD3 LYS 29 3HD LYS 29 -10.054 -12.490 -7.849 208 HE2 LYS 29 2HE LYS 29 -10.500 -11.335 -9.997 209 HE3 LYS 29 3HE LYS 29 -9.486 -12.507 -10.848 210 HZ1 LYS 29 3HZ LYS 29 -11.984 -13.173 -9.380 211 HZ2 LYS 29 1HZ LYS 29 -11.842 -13.085 -11.003 212 HZ3 LYS 29 2HZ LYS 29 -11.051 -14.249 -10.180 213 H ILE 30 H ILE 30 -7.183 -8.180 -6.005 214 HA ILE 30 HA ILE 30 -4.613 -9.229 -5.087 215 HB ILE 30 HB ILE 30 -6.626 -7.323 -3.895 216 HG12 ILE 30 2HG1 ILE 30 -3.778 -6.773 -4.815 217 HG13 ILE 30 3HG1 ILE 30 -5.137 -6.693 -5.923 218 HG21 ILE 30 1HG2 ILE 30 -4.929 -6.798 -2.163 219 HG22 ILE 30 2HG2 ILE 30 -5.497 -8.455 -2.019 220 HG23 ILE 30 3HG2 ILE 30 -3.912 -8.118 -2.765 221 HD11 ILE 30 3HD1 ILE 30 -4.577 -4.487 -5.135 222 HD12 ILE 30 1HD1 ILE 30 -6.194 -4.933 -4.568 223 HD13 ILE 30 2HD1 ILE 30 -4.804 -4.959 -3.448 224 H GLU 31 H GLU 31 -4.213 -10.802 -3.586 225 HA GLU 31 HA GLU 31 -6.295 -12.759 -3.162 226 HB2 GLU 31 2HB GLU 31 -3.535 -12.693 -1.899 227 HB3 GLU 31 3HB GLU 31 -4.623 -14.074 -2.051 228 HG2 GLU 31 2HG GLU 31 -4.406 -13.752 -4.598 229 HG3 GLU 31 3HG GLU 31 -3.097 -12.613 -4.224 230 H LYS 32 H LYS 32 -7.512 -13.142 -1.408 231 HA LYS 32 HA LYS 32 -7.838 -11.180 0.667 232 HB2 LYS 32 2HB LYS 32 -9.603 -12.760 -0.209 233 HB3 LYS 32 3HB LYS 32 -8.808 -14.065 0.681 234 HG2 LYS 32 2HG LYS 32 -9.176 -12.748 2.811 235 HG3 LYS 32 3HG LYS 32 -10.039 -11.526 1.852 236 HD2 LYS 32 2HD LYS 32 -11.688 -13.240 1.170 237 HD3 LYS 32 3HD LYS 32 -10.797 -14.459 2.116 238 HE2 LYS 32 2HE LYS 32 -11.186 -13.139 4.183 239 HE3 LYS 32 3HE LYS 32 -12.078 -11.932 3.251 240 HZ1 LYS 32 3HZ LYS 32 -12.882 -14.777 3.558 241 HZ2 LYS 32 1HZ LYS 32 -13.580 -13.511 4.314 242 HZ3 LYS 32 2HZ LYS 32 -13.708 -13.659 2.695 243 H GLY 33 H GLY 33 -7.260 -11.162 2.806 244 HA2 GLY 33 2HA GLY 33 -6.191 -11.690 4.765 245 HA3 GLY 33 3HA GLY 33 -5.947 -13.326 4.162 246 H GLN 34 H GLN 34 -4.426 -11.085 2.026 247 HA GLN 34 HA GLN 34 -1.935 -10.979 3.646 248 HB2 GLN 34 2HB GLN 34 -0.570 -11.140 1.670 249 HB3 GLN 34 3HB GLN 34 -1.530 -12.583 1.926 250 HG2 GLN 34 2HG GLN 34 -1.489 -12.167 -0.437 251 HG3 GLN 34 3HG GLN 34 -3.114 -11.831 0.135 252 HE21 GLN 34 2HE2 GLN 34 -3.958 -9.791 -0.422 253 HE22 GLN 34 1HE2 GLN 34 -2.941 -8.368 -0.415 254 H VAL 35 H VAL 35 -0.539 -8.997 2.790 255 HA VAL 35 HA VAL 35 -2.119 -6.763 3.573 256 HB VAL 35 HB VAL 35 0.673 -6.931 2.436 257 HG11 VAL 35 1HG1 VAL 35 -0.110 -4.636 1.987 258 HG12 VAL 35 2HG1 VAL 35 -0.675 -4.486 3.667 259 HG13 VAL 35 3HG1 VAL 35 1.053 -4.648 3.304 260 HG21 VAL 35 3HG2 VAL 35 -0.396 -6.456 5.247 261 HG22 VAL 35 1HG2 VAL 35 0.355 -7.953 4.650 262 HG23 VAL 35 2HG2 VAL 35 1.314 -6.478 4.769 263 H ARG 36 H ARG 36 -2.951 -4.990 2.540 264 HA ARG 36 HA ARG 36 -2.551 -4.676 -0.380 265 HB2 ARG 36 2HB ARG 36 -4.819 -3.992 -0.798 266 HB3 ARG 36 3HB ARG 36 -4.763 -5.660 -0.237 267 HG2 ARG 36 2HG ARG 36 -5.615 -5.041 1.949 268 HG3 ARG 36 3HG ARG 36 -5.510 -3.328 1.566 269 HD2 ARG 36 2HD ARG 36 -7.158 -3.652 -0.290 270 HD3 ARG 36 3HD ARG 36 -7.340 -5.336 0.181 271 HE ARG 36 HE ARG 36 -7.798 -3.716 2.492 272 HH11 ARG 36 1HH2 ARG 36 -9.532 -4.384 -0.520 273 HH12 ARG 36 2HH2 ARG 36 -10.942 -3.558 0.064 274 HH21 ARG 36 1HH1 ARG 36 -9.633 -2.854 3.154 275 HH22 ARG 36 2HH1 ARG 36 -11.046 -2.789 2.109 276 H LEU 37 H LEU 37 -2.072 -2.643 -0.967 277 HA LEU 37 HA LEU 37 -2.164 -0.492 1.103 278 HB2 LEU 37 2HB LEU 37 -0.297 -0.557 -1.284 279 HB3 LEU 37 3HB LEU 37 -0.318 0.541 0.125 280 HG LEU 37 HG LEU 37 1.566 -0.690 0.385 281 HD11 LEU 37 1HD1 LEU 37 0.204 -0.454 2.378 282 HD12 LEU 37 2HD1 LEU 37 -0.426 -2.101 2.178 283 HD13 LEU 37 3HD1 LEU 37 1.309 -1.841 2.464 284 HD21 LEU 37 3HD2 LEU 37 0.079 -3.336 0.066 285 HD22 LEU 37 1HD2 LEU 37 1.055 -2.561 -1.192 286 HD23 LEU 37 2HD2 LEU 37 1.808 -3.079 0.333 287 H SER 38 H SER 38 -2.736 1.660 0.334 288 HA SER 38 HA SER 38 -3.668 1.826 -2.433 289 HB2 SER 38 2HB SER 38 -5.859 2.833 -1.818 290 HB3 SER 38 3HB SER 38 -5.704 1.152 -1.332 291 HG SER 38 HG SER 38 -6.524 2.234 0.411 292 H LYS 39 H LYS 39 -4.206 3.933 -3.207 293 HA LYS 39 HA LYS 39 -2.971 6.207 -1.684 294 HB2 LYS 39 2HB LYS 39 -1.536 5.778 -3.493 295 HB3 LYS 39 3HB LYS 39 -2.867 5.571 -4.638 296 HG2 LYS 39 2HG LYS 39 -3.353 7.900 -4.704 297 HG3 LYS 39 3HG LYS 39 -2.330 8.245 -3.283 298 HD2 LYS 39 2HD LYS 39 -0.324 7.663 -4.505 299 HD3 LYS 39 3HD LYS 39 -1.285 7.103 -5.893 300 HE2 LYS 39 2HE LYS 39 -0.656 9.134 -6.689 301 HE3 LYS 39 3HE LYS 39 -2.197 9.568 -5.942 302 HZ1 LYS 39 3HZ LYS 39 0.475 9.875 -4.658 303 HZ2 LYS 39 1HZ LYS 39 -0.374 11.100 -5.344 304 HZ3 LYS 39 2HZ LYS 39 -0.941 10.369 -3.999 305 H LYS 40 H LYS 40 -4.141 7.976 -1.375 306 HA LYS 40 HA LYS 40 -6.982 8.002 -2.229 307 HB2 LYS 40 2HB LYS 40 -6.610 8.161 0.100 308 HB3 LYS 40 3HB LYS 40 -5.443 9.452 -0.064 309 HG2 LYS 40 2HG LYS 40 -8.355 9.747 -0.964 310 HG3 LYS 40 3HG LYS 40 -7.875 9.982 0.708 311 HD2 LYS 40 2HD LYS 40 -7.093 11.658 -1.680 312 HD3 LYS 40 3HD LYS 40 -8.026 12.140 -0.282 313 HE2 LYS 40 2HE LYS 40 -5.045 11.458 -0.272 314 HE3 LYS 40 3HE LYS 40 -5.710 13.077 -0.361 315 HZ1 LYS 40 3HZ LYS 40 -5.079 12.408 1.909 316 HZ2 LYS 40 1HZ LYS 40 -6.664 12.824 1.819 317 HZ3 LYS 40 2HZ LYS 40 -6.226 11.248 1.920 318 H MET 41 H MET 41 -7.490 9.065 -4.031 319 HA MET 41 HA MET 41 -6.579 11.797 -4.500 320 HB2 MET 41 2HB MET 41 -5.598 11.446 -6.706 321 HB3 MET 41 3HB MET 41 -4.646 10.658 -5.452 322 HG2 MET 41 2HG MET 41 -5.685 8.477 -6.039 323 HG3 MET 41 3HG MET 41 -6.617 9.276 -7.313 324 HE1 MET 41 3HE MET 41 -4.186 7.131 -9.356 325 HE2 MET 41 1HE MET 41 -4.959 6.754 -7.797 326 HE3 MET 41 2HE MET 41 -5.877 7.620 -9.063 327 H VAL 42 H VAL 42 -8.016 12.978 -5.823 328 HA VAL 42 HA VAL 42 -10.439 11.801 -6.764 329 HB VAL 42 HB VAL 42 -10.303 14.146 -6.272 330 HG11 VAL 42 1HG1 VAL 42 -9.211 15.786 -7.690 331 HG12 VAL 42 2HG1 VAL 42 -7.997 14.683 -7.033 332 HG13 VAL 42 3HG1 VAL 42 -8.531 14.514 -8.718 333 HG21 VAL 42 3HG2 VAL 42 -10.873 13.757 -9.216 334 HG22 VAL 42 1HG2 VAL 42 -11.975 13.323 -7.884 335 HG23 VAL 42 2HG2 VAL 42 -11.524 15.016 -8.147 336 H ASP 43 H ASP 43 -10.945 10.747 -8.616 337 HA ASP 43 HA ASP 43 -8.841 9.778 -10.350 338 HB2 ASP 43 2HB ASP 43 -10.823 8.454 -9.733 339 HB3 ASP 43 3HB ASP 43 -11.867 9.594 -10.579 340 HA PRO 44 HA PRO 44 -8.939 13.384 -12.933 341 HB2 PRO 44 2HB PRO 44 -7.193 12.654 -14.930 342 HB3 PRO 44 3HB PRO 44 -6.676 12.969 -13.245 343 HG2 PRO 44 2HG PRO 44 -7.336 10.278 -14.505 344 HG3 PRO 44 3HG PRO 44 -5.868 10.729 -13.572 345 HD2 PRO 44 2HD PRO 44 -7.948 9.464 -12.412 346 HD3 PRO 44 3HD PRO 44 -7.059 10.753 -11.543 347 H GLU 45 H GLU 45 -10.212 10.387 -14.100 348 HA GLU 45 HA GLU 45 -11.444 11.719 -16.497 349 HB2 GLU 45 2HB GLU 45 -11.263 8.773 -15.757 350 HB3 GLU 45 3HB GLU 45 -12.029 9.428 -17.197 351 HG2 GLU 45 2HG GLU 45 -9.061 9.550 -16.510 352 HG3 GLU 45 3HG GLU 45 -9.821 8.514 -17.708 353 H LYS 46 H LYS 46 -12.038 10.752 -13.304 354 HA LYS 46 HA LYS 46 -14.989 11.129 -13.544 355 HB2 LYS 46 2HB LYS 46 -13.656 8.934 -11.896 356 HB3 LYS 46 3HB LYS 46 -15.386 9.233 -12.048 357 HG2 LYS 46 2HG LYS 46 -13.590 8.341 -14.320 358 HG3 LYS 46 3HG LYS 46 -14.586 7.278 -13.335 359 HD2 LYS 46 2HD LYS 46 -16.624 8.151 -14.153 360 HD3 LYS 46 3HD LYS 46 -15.866 9.615 -14.799 361 HE2 LYS 46 2HE LYS 46 -14.532 8.264 -16.372 362 HE3 LYS 46 3HE LYS 46 -15.337 6.792 -15.798 363 HZ1 LYS 46 3HZ LYS 46 -16.396 7.641 -17.822 364 HZ2 LYS 46 1HZ LYS 46 -17.455 7.737 -16.585 365 HZ3 LYS 46 2HZ LYS 46 -16.700 9.083 -17.124 366 HA PRO 47 HA PRO 47 -12.973 13.405 -9.972 367 HB2 PRO 47 2HB PRO 47 -13.480 16.032 -10.648 368 HB3 PRO 47 3HB PRO 47 -12.008 15.128 -11.107 369 HG2 PRO 47 2HG PRO 47 -14.522 15.555 -12.763 370 HG3 PRO 47 3HG PRO 47 -12.810 15.756 -13.271 371 HD2 PRO 47 2HD PRO 47 -14.198 13.502 -13.839 372 HD3 PRO 47 3HD PRO 47 -12.465 13.446 -13.389 373 H GLN 48 H GLN 48 -16.078 13.519 -11.545 374 HA GLN 48 HA GLN 48 -17.654 14.786 -9.558 375 HB2 GLN 48 2HB GLN 48 -18.337 12.577 -11.543 376 HB3 GLN 48 3HB GLN 48 -19.522 13.471 -10.585 377 HG2 GLN 48 2HG GLN 48 -18.772 15.603 -11.628 378 HG3 GLN 48 3HG GLN 48 -17.625 14.711 -12.632 379 HE21 GLN 48 2HE2 GLN 48 -21.139 15.166 -11.985 380 HE22 GLN 48 1HE2 GLN 48 -21.634 14.563 -13.561 381 H LEU 49 H LEU 49 -16.283 11.475 -9.498 382 HA LEU 49 HA LEU 49 -17.911 10.891 -7.084 383 HB2 LEU 49 2HB LEU 49 -17.000 8.615 -7.200 384 HB3 LEU 49 3HB LEU 49 -18.007 9.128 -8.539 385 HG LEU 49 HG LEU 49 -16.031 9.424 -9.960 386 HD11 LEU 49 1HD1 LEU 49 -14.507 8.241 -7.607 387 HD12 LEU 49 2HD1 LEU 49 -13.858 8.392 -9.256 388 HD13 LEU 49 3HD1 LEU 49 -14.241 9.840 -8.327 389 HD21 LEU 49 3HD2 LEU 49 -16.213 6.678 -8.679 390 HD22 LEU 49 1HD2 LEU 49 -17.273 7.310 -9.960 391 HD23 LEU 49 2HD2 LEU 49 -15.556 7.050 -10.292 392 H GLY 50 H GLY 50 -15.035 12.527 -7.580 393 HA2 GLY 50 2HA GLY 50 -13.816 13.571 -5.965 394 HA3 GLY 50 3HA GLY 50 -14.719 12.699 -4.729 395 H MET 51 H MET 51 -12.543 12.758 -3.739 396 HA MET 51 HA MET 51 -10.377 11.265 -4.667 397 HB2 MET 51 2HB MET 51 -10.946 11.773 -1.742 398 HB3 MET 51 3HB MET 51 -9.397 11.610 -2.574 399 HG2 MET 51 2HG MET 51 -10.246 13.741 -3.922 400 HG3 MET 51 3HG MET 51 -11.341 13.923 -2.555 401 HE1 MET 51 3HE MET 51 -6.808 14.534 -2.740 402 HE2 MET 51 1HE MET 51 -7.662 13.103 -3.376 403 HE3 MET 51 2HE MET 51 -7.984 14.702 -4.070 404 H ILE 52 H ILE 52 -10.102 9.191 -4.917 405 HA ILE 52 HA ILE 52 -11.699 7.254 -3.333 406 HB ILE 52 HB ILE 52 -11.408 5.739 -5.379 407 HG12 ILE 52 2HG1 ILE 52 -11.417 6.872 -7.583 408 HG13 ILE 52 3HG1 ILE 52 -10.932 8.386 -6.836 409 HG21 ILE 52 1HG2 ILE 52 -13.203 8.174 -5.625 410 HG22 ILE 52 2HG2 ILE 52 -13.432 6.580 -6.381 411 HG23 ILE 52 3HG2 ILE 52 -13.519 6.734 -4.622 412 HD11 ILE 52 3HD1 ILE 52 -8.765 7.385 -6.195 413 HD12 ILE 52 1HD1 ILE 52 -9.324 5.798 -6.755 414 HD13 ILE 52 2HD1 ILE 52 -9.061 7.135 -7.910 415 H ASP 53 H ASP 53 -10.749 5.087 -3.168 416 HA ASP 53 HA ASP 53 -7.892 5.314 -2.369 417 HB2 ASP 53 2HB ASP 53 -10.078 3.405 -1.466 418 HB3 ASP 53 3HB ASP 53 -8.393 3.342 -0.952 419 H ARG 54 H ARG 54 -6.898 4.914 -4.261 420 HA ARG 54 HA ARG 54 -7.491 2.728 -6.113 421 HB2 ARG 54 2HB ARG 54 -6.037 5.135 -6.177 422 HB3 ARG 54 3HB ARG 54 -4.754 3.953 -6.093 423 HG2 ARG 54 2HG ARG 54 -5.148 4.541 -8.363 424 HG3 ARG 54 3HG ARG 54 -5.607 2.863 -8.137 425 HD2 ARG 54 2HD ARG 54 -7.972 3.429 -8.163 426 HD3 ARG 54 3HD ARG 54 -7.591 5.141 -7.924 427 HE ARG 54 HE ARG 54 -6.435 4.250 -10.392 428 HH11 ARG 54 1HH2 ARG 54 -9.622 5.034 -9.086 429 HH12 ARG 54 2HH2 ARG 54 -10.035 5.916 -10.561 430 HH21 ARG 54 1HH1 ARG 54 -7.229 5.333 -12.263 431 HH22 ARG 54 2HH1 ARG 54 -8.845 6.035 -12.159 432 H TRP 55 H TRP 55 -7.161 0.581 -5.456 433 HA TRP 55 HA TRP 55 -5.179 0.008 -3.371 434 HB2 TRP 55 2HB TRP 55 -7.168 -1.781 -4.774 435 HB3 TRP 55 3HB TRP 55 -6.057 -2.321 -3.526 436 HD1 TRP 55 HD1 TRP 55 -9.381 -0.739 -3.979 437 HE1 TRP 55 HE1 TRP 55 -10.445 -0.147 -1.730 438 HE3 TRP 55 HE3 TRP 55 -5.334 -1.516 -0.905 439 HZ2 TRP 55 HZ2 TRP 55 -9.618 0.137 1.020 440 HZ3 TRP 55 HZ3 TRP 55 -5.488 -0.979 1.509 441 HH2 TRP 55 HH2 TRP 55 -7.621 -0.173 2.487 442 H TYR 56 H TYR 56 -3.556 -1.528 -3.446 443 HA TYR 56 HA TYR 56 -2.437 -2.504 -6.006 444 HB2 TYR 56 2HB TYR 56 -0.956 -0.900 -3.875 445 HB3 TYR 56 3HB TYR 56 -0.228 -1.631 -5.298 446 HD1 TYR 56 HD2 TYR 56 -0.804 -0.794 -7.573 447 HD2 TYR 56 HD1 TYR 56 -2.087 1.243 -4.012 448 HE1 TYR 56 HE2 TYR 56 -1.383 1.242 -8.936 449 HE2 TYR 56 HE1 TYR 56 -2.688 3.244 -5.366 450 HH TYR 56 HH TYR 56 -2.732 4.189 -7.459 451 H HIS 57 H HIS 57 -0.946 -4.160 -5.768 452 HA HIS 57 HA HIS 57 -1.083 -6.021 -3.489 453 HB2 HIS 57 2HB HIS 57 0.743 -5.904 -5.910 454 HB3 HIS 57 3HB HIS 57 0.875 -7.125 -4.673 455 HD2 HIS 57 HD2 HIS 57 -1.549 -8.565 -4.198 456 HE1 HIS 57 HE1 HIS 57 -2.601 -8.479 -8.320 457 HE2 HIS 57 HE2 HIS 57 -2.984 -9.675 -6.132 458 HA PRO 58 HA PRO 58 2.577 -4.383 -1.241 459 HB2 PRO 58 2HB PRO 58 3.371 -7.282 -1.046 460 HB3 PRO 58 3HB PRO 58 3.316 -6.032 0.241 461 HG2 PRO 58 2HG PRO 58 1.333 -7.850 0.089 462 HG3 PRO 58 3HG PRO 58 0.920 -6.112 0.305 463 HD2 PRO 58 2HD PRO 58 0.957 -7.698 -2.279 464 HD3 PRO 58 3HD PRO 58 -0.342 -6.663 -1.617 465 H GLY 59 H GLY 59 2.936 -6.584 -3.948 466 HA2 GLY 59 2HA GLY 59 5.788 -5.976 -4.384 467 HA3 GLY 59 3HA GLY 59 4.746 -6.993 -5.382 468 H CYS 60 HN CYS 60 2.691 -4.704 -5.540 469 HA CYS 60 HA CYS 60 3.933 -3.470 -7.912 470 HB2 CYS 60 2HB CYS 60 1.046 -3.543 -7.017 471 HB3 CYS 60 3HB CYS 60 1.650 -3.019 -8.597 472 H PHE 61 H PHE 61 2.377 -2.373 -4.890 473 HA PHE 61 HA PHE 61 2.506 0.402 -5.520 474 HB2 PHE 61 2HB PHE 61 1.736 0.702 -3.443 475 HB3 PHE 61 3HB PHE 61 1.517 -1.038 -3.455 476 HD1 PHE 61 HD1 PHE 61 3.224 -2.511 -2.400 477 HD2 PHE 61 HD2 PHE 61 3.389 1.760 -2.045 478 HE1 PHE 61 HE1 PHE 61 4.707 -2.748 -0.409 479 HE2 PHE 61 HE2 PHE 61 4.821 1.541 -0.009 480 HZ PHE 61 HZ PHE 61 5.491 -0.712 0.801 481 H VAL 62 H VAL 62 4.985 -1.818 -4.386 482 HA VAL 62 HA VAL 62 7.193 -0.017 -4.117 483 HB VAL 62 HB VAL 62 7.057 -2.966 -4.855 484 HG11 VAL 62 1HG1 VAL 62 9.278 -2.140 -5.494 485 HG12 VAL 62 2HG1 VAL 62 9.462 -1.372 -3.888 486 HG13 VAL 62 3HG1 VAL 62 9.383 -3.139 -4.053 487 HG21 VAL 62 3HG2 VAL 62 6.114 -2.407 -2.639 488 HG22 VAL 62 1HG2 VAL 62 7.587 -3.342 -2.492 489 HG23 VAL 62 2HG2 VAL 62 7.614 -1.582 -2.193 490 H LYS 63 H LYS 63 5.838 -1.588 -7.044 491 HA LYS 63 HA LYS 63 8.053 -0.761 -8.784 492 HB2 LYS 63 2HB LYS 63 5.286 -1.896 -9.363 493 HB3 LYS 63 3HB LYS 63 6.445 -1.456 -10.614 494 HG2 LYS 63 2HG LYS 63 8.100 -3.042 -9.668 495 HG3 LYS 63 3HG LYS 63 6.916 -3.573 -8.478 496 HD2 LYS 63 2HD LYS 63 6.616 -3.748 -11.510 497 HD3 LYS 63 3HD LYS 63 7.094 -5.088 -10.480 498 HE2 LYS 63 2HE LYS 63 4.422 -3.636 -10.200 499 HE3 LYS 63 3HE LYS 63 4.649 -5.024 -11.258 500 HZ1 LYS 63 3HZ LYS 63 5.150 -6.398 -9.393 501 HZ2 LYS 63 1HZ LYS 63 5.233 -5.126 -8.353 502 HZ3 LYS 63 2HZ LYS 63 3.790 -5.557 -8.994 503 H ASN 64 H ASN 64 4.816 0.547 -8.046 504 HA ASN 64 HA ASN 64 5.394 2.906 -9.762 505 HB2 ASN 64 2HB ASN 64 2.808 3.292 -9.129 506 HB3 ASN 64 3HB ASN 64 3.427 2.537 -10.572 507 HD21 ASN 64 1HD2 ASN 64 1.883 1.860 -7.425 508 HD22 ASN 64 2HD2 ASN 64 1.296 0.294 -7.985 509 H ARG 65 H ARG 65 6.462 2.311 -6.871 510 HA ARG 65 HA ARG 65 5.415 4.060 -5.065 511 HB2 ARG 65 2HB ARG 65 7.386 3.878 -3.863 512 HB3 ARG 65 3HB ARG 65 7.395 2.429 -4.849 513 HG2 ARG 65 2HG ARG 65 8.963 3.655 -6.463 514 HG3 ARG 65 3HG ARG 65 8.989 4.993 -5.304 515 HD2 ARG 65 2HD ARG 65 10.932 3.839 -4.870 516 HD3 ARG 65 3HD ARG 65 9.837 3.339 -3.565 517 HE ARG 65 HE ARG 65 9.521 1.438 -5.617 518 HH11 ARG 65 1HH2 ARG 65 12.224 2.429 -3.601 519 HH12 ARG 65 2HH2 ARG 65 13.018 0.889 -3.788 520 HH21 ARG 65 1HH1 ARG 65 10.664 -0.376 -5.948 521 HH22 ARG 65 2HH1 ARG 65 12.178 -0.648 -5.121 522 H GLU 66 H GLU 66 7.566 5.008 -7.704 523 HA GLU 66 HA GLU 66 7.740 7.764 -6.863 524 HB2 GLU 66 2HB GLU 66 8.877 8.126 -9.023 525 HB3 GLU 66 3HB GLU 66 9.574 6.826 -8.060 526 HG2 GLU 66 2HG GLU 66 8.480 5.132 -9.464 527 HG3 GLU 66 3HG GLU 66 7.671 6.392 -10.402 528 H GLU 67 H GLU 67 5.465 6.000 -8.829 529 HA GLU 67 HA GLU 67 4.138 8.381 -9.914 530 HB2 GLU 67 2HB GLU 67 4.219 6.275 -11.176 531 HB3 GLU 67 3HB GLU 67 3.284 5.471 -9.911 532 HG2 GLU 67 2HG GLU 67 1.366 6.909 -10.331 533 HG3 GLU 67 3HG GLU 67 2.306 7.910 -11.445 534 H LEU 68 H LEU 68 3.684 6.031 -7.237 535 HA LEU 68 HA LEU 68 1.322 7.285 -6.158 536 HB2 LEU 68 2HB LEU 68 3.434 5.591 -4.775 537 HB3 LEU 68 3HB LEU 68 1.850 5.988 -4.119 538 HG LEU 68 HG LEU 68 2.420 4.237 -6.546 539 HD11 LEU 68 1HD1 LEU 68 2.885 3.156 -4.407 540 HD12 LEU 68 2HD1 LEU 68 1.279 3.622 -3.798 541 HD13 LEU 68 3HD1 LEU 68 1.420 2.473 -5.140 542 HD21 LEU 68 3HD2 LEU 68 -0.273 4.906 -5.334 543 HD22 LEU 68 1HD2 LEU 68 0.319 5.460 -6.927 544 HD23 LEU 68 2HD2 LEU 68 0.070 3.748 -6.634 545 H GLY 69 H GLY 69 4.757 7.977 -5.717 546 HA2 GLY 69 2HA GLY 69 5.346 10.309 -5.390 547 HA3 GLY 69 3HA GLY 69 4.015 10.492 -4.255 548 H PHE 70 H PHE 70 5.964 7.592 -3.907 549 HA PHE 70 HA PHE 70 6.809 8.284 -1.238 550 HB2 PHE 70 2HB PHE 70 7.529 6.058 -3.158 551 HB3 PHE 70 3HB PHE 70 8.337 6.234 -1.618 552 HD1 PHE 70 HD2 PHE 70 5.033 5.518 -3.179 553 HD2 PHE 70 HD1 PHE 70 7.313 5.680 0.471 554 HE1 PHE 70 HE2 PHE 70 3.252 4.244 -2.012 555 HE2 PHE 70 HE1 PHE 70 5.530 4.415 1.637 556 HZ PHE 70 HZ PHE 70 3.511 3.676 0.392 557 H ARG 71 H ARG 71 8.523 9.234 -0.502 558 HA ARG 71 HA ARG 71 11.108 9.325 -1.942 559 HB2 ARG 71 2HB ARG 71 9.743 11.702 -0.601 560 HB3 ARG 71 3HB ARG 71 11.432 11.682 -1.065 561 HG2 ARG 71 2HG ARG 71 10.934 11.578 -3.404 562 HG3 ARG 71 3HG ARG 71 9.223 11.248 -3.111 563 HD2 ARG 71 2HD ARG 71 9.586 13.571 -3.800 564 HD3 ARG 71 3HD ARG 71 8.823 13.412 -2.221 565 HE ARG 71 HE ARG 71 11.675 14.213 -2.736 566 HH11 ARG 71 1HH2 ARG 71 8.928 14.269 -0.497 567 HH12 ARG 71 2HH2 ARG 71 9.941 15.044 0.732 568 HH21 ARG 71 1HH1 ARG 71 12.757 15.280 -1.020 569 HH22 ARG 71 2HH1 ARG 71 11.848 15.546 0.470 570 HA PRO 72 HA PRO 72 12.764 7.783 1.694 571 HB2 PRO 72 2HB PRO 72 14.709 10.083 1.958 572 HB3 PRO 72 3HB PRO 72 15.027 8.317 2.021 573 HG2 PRO 72 2HG PRO 72 15.548 9.684 -0.241 574 HG3 PRO 72 3HG PRO 72 14.710 8.098 -0.338 575 HD2 PRO 72 2HD PRO 72 13.513 10.874 -0.451 576 HD3 PRO 72 3HD PRO 72 13.183 9.458 -1.492 577 H GLU 73 H GLU 73 11.936 11.237 2.175 578 HA GLU 73 HA GLU 73 11.996 10.966 5.073 579 HB2 GLU 73 2HB GLU 73 11.210 13.187 5.203 580 HB3 GLU 73 3HB GLU 73 12.408 13.109 3.914 581 HG2 GLU 73 2HG GLU 73 10.556 13.037 2.230 582 HG3 GLU 73 3HG GLU 73 9.380 13.181 3.538 583 H TYR 74 H TYR 74 9.740 9.794 2.851 584 HA TYR 74 HA TYR 74 7.999 9.009 5.059 585 HB2 TYR 74 2HB TYR 74 5.918 9.629 3.669 586 HB3 TYR 74 3HB TYR 74 6.717 10.787 4.699 587 HD1 TYR 74 HD2 TYR 74 7.509 9.803 1.153 588 HD2 TYR 74 HD1 TYR 74 6.283 12.881 3.901 589 HE1 TYR 74 HE2 TYR 74 7.449 11.469 -0.721 590 HE2 TYR 74 HE1 TYR 74 6.293 14.548 2.056 591 HH TYR 74 HH TYR 74 6.567 14.891 -0.196 592 H SER 75 H SER 75 9.390 7.240 4.453 593 HA SER 75 HA SER 75 8.829 5.352 2.400 594 HB2 SER 75 2HB SER 75 9.856 3.789 3.956 595 HB3 SER 75 3HB SER 75 10.730 5.326 4.019 596 HG SER 75 HG SER 75 10.319 4.579 6.119 597 H ALA 76 H ALA 76 7.977 3.086 3.285 598 HA ALA 76 HA ALA 76 5.199 2.991 3.553 599 HB1 ALA 76 1HB ALA 76 6.563 1.045 2.965 600 HB2 ALA 76 2HB ALA 76 7.344 1.070 4.566 601 HB3 ALA 76 3HB ALA 76 5.620 0.687 4.420 602 H SER 77 H SER 77 7.453 3.803 6.122 603 HA SER 77 HA SER 77 5.840 3.060 8.365 604 HB2 SER 77 2HB SER 77 7.261 4.579 9.634 605 HB3 SER 77 3HB SER 77 8.252 3.602 8.539 606 HG SER 77 HG SER 77 8.552 5.359 7.224 607 H GLN 78 H GLN 78 5.504 5.620 6.044 608 HA GLN 78 HA GLN 78 3.534 7.003 7.729 609 HB2 GLN 78 2HB GLN 78 4.987 8.073 5.299 610 HB3 GLN 78 3HB GLN 78 3.867 8.933 6.358 611 HG2 GLN 78 2HG GLN 78 5.563 8.183 8.276 612 HG3 GLN 78 3HG GLN 78 6.687 8.016 6.937 613 HE21 GLN 78 2HE2 GLN 78 7.803 9.714 8.367 614 HE22 GLN 78 1HE2 GLN 78 7.402 11.383 8.005 615 H LEU 79 H LEU 79 3.041 4.499 6.149 616 HA LEU 79 HA LEU 79 0.693 5.368 4.541 617 HB2 LEU 79 2HB LEU 79 1.768 2.659 5.443 618 HB3 LEU 79 3HB LEU 79 0.238 2.843 4.616 619 HG LEU 79 HG LEU 79 2.730 3.876 3.252 620 HD11 LEU 79 1HD1 LEU 79 3.319 1.570 4.011 621 HD12 LEU 79 2HD1 LEU 79 1.888 0.955 3.185 622 HD13 LEU 79 3HD1 LEU 79 3.184 1.718 2.249 623 HD21 LEU 79 3HD2 LEU 79 0.364 4.139 2.374 624 HD22 LEU 79 1HD2 LEU 79 1.495 3.366 1.261 625 HD23 LEU 79 2HD2 LEU 79 0.321 2.388 2.156 626 H LYS 80 H LYS 80 -1.367 5.425 5.312 627 HA LYS 80 HA LYS 80 -1.941 5.646 8.068 628 HB2 LYS 80 2HB LYS 80 -3.935 4.745 5.942 629 HB3 LYS 80 3HB LYS 80 -4.313 5.368 7.544 630 HG2 LYS 80 2HG LYS 80 -3.105 7.491 6.896 631 HG3 LYS 80 3HG LYS 80 -3.068 6.884 5.233 632 HD2 LYS 80 2HD LYS 80 -5.537 7.438 6.958 633 HD3 LYS 80 3HD LYS 80 -4.929 8.482 5.671 634 HE2 LYS 80 2HE LYS 80 -5.382 6.746 3.989 635 HE3 LYS 80 3HE LYS 80 -5.930 5.632 5.255 636 HZ1 LYS 80 3HZ LYS 80 -7.743 7.171 5.750 637 HZ2 LYS 80 1HZ LYS 80 -7.239 8.221 4.604 638 HZ3 LYS 80 2HZ LYS 80 -7.801 6.750 4.175 639 H GLY 81 H GLY 81 -2.340 4.253 9.672 640 HA2 GLY 81 2HA GLY 81 -2.752 2.309 10.841 641 HA3 GLY 81 3HA GLY 81 -3.410 1.607 9.363 642 H PHE 82 H PHE 82 -0.104 2.583 8.899 643 HA PHE 82 HA PHE 82 0.820 0.005 8.302 644 HB2 PHE 82 2HB PHE 82 2.005 1.850 7.455 645 HB3 PHE 82 3HB PHE 82 2.136 2.634 9.019 646 HD1 PHE 82 HD2 PHE 82 3.627 0.048 6.812 647 HD2 PHE 82 HD1 PHE 82 3.826 2.056 10.621 648 HE1 PHE 82 HE2 PHE 82 5.916 -0.838 7.162 649 HE2 PHE 82 HE1 PHE 82 6.110 1.130 10.989 650 HZ PHE 82 HZ PHE 82 7.146 -0.323 9.254 651 H SER 83 H SER 83 1.221 1.842 11.362 652 HA SER 83 HA SER 83 2.766 -0.017 12.773 653 HB2 SER 83 2HB SER 83 0.693 1.955 13.788 654 HB3 SER 83 3HB SER 83 1.941 1.183 14.792 655 HG SER 83 HG SER 83 3.528 2.167 13.474 656 H LEU 84 H LEU 84 -0.609 -0.289 11.992 657 HA LEU 84 HA LEU 84 -1.258 -2.147 14.187 658 HB2 LEU 84 2HB LEU 84 -2.944 -1.220 11.834 659 HB3 LEU 84 3HB LEU 84 -3.511 -2.071 13.261 660 HG LEU 84 HG LEU 84 -2.395 0.769 13.214 661 HD11 LEU 84 1HD1 LEU 84 -4.698 1.428 13.716 662 HD12 LEU 84 2HD1 LEU 84 -4.620 0.540 12.184 663 HD13 LEU 84 3HD1 LEU 84 -5.222 -0.270 13.647 664 HD21 LEU 84 3HD2 LEU 84 -3.589 -0.843 15.515 665 HD22 LEU 84 1HD2 LEU 84 -1.903 -0.287 15.383 666 HD23 LEU 84 2HD2 LEU 84 -3.205 0.894 15.557 667 H LEU 85 H LEU 85 0.173 -2.468 11.099 668 HA LEU 85 HA LEU 85 -0.858 -5.121 10.470 669 HB2 LEU 85 2HB LEU 85 1.405 -3.404 9.451 670 HB3 LEU 85 3HB LEU 85 1.388 -5.112 9.082 671 HG LEU 85 HG LEU 85 -0.732 -4.949 7.926 672 HD11 LEU 85 1HD1 LEU 85 -0.658 -1.971 8.533 673 HD12 LEU 85 2HD1 LEU 85 -1.754 -2.764 7.380 674 HD13 LEU 85 3HD1 LEU 85 -1.879 -3.133 9.101 675 HD21 LEU 85 3HD2 LEU 85 1.220 -2.795 7.033 676 HD22 LEU 85 1HD2 LEU 85 1.368 -4.536 6.706 677 HD23 LEU 85 2HD2 LEU 85 0.020 -3.625 6.013 678 H ALA 86 H ALA 86 0.683 -7.034 10.351 679 HA ALA 86 HA ALA 86 1.862 -7.611 12.940 680 HB1 ALA 86 1HB ALA 86 2.059 -9.110 10.293 681 HB2 ALA 86 2HB ALA 86 2.458 -9.746 11.902 682 HB3 ALA 86 3HB ALA 86 0.778 -9.331 11.504 683 H THR 87 H THR 87 4.068 -7.870 13.444 684 HA THR 87 HA THR 87 5.808 -5.875 12.619 685 HB THR 87 HB THR 87 6.665 -8.567 13.715 686 HG1 THR 87 1HG THR 87 6.212 -7.664 15.737 687 HG21 THR 87 1HG2 THR 87 8.357 -7.205 14.948 688 HG22 THR 87 2HG2 THR 87 8.561 -7.064 13.198 689 HG23 THR 87 3HG2 THR 87 7.784 -5.747 14.105 690 H GLU 88 H GLU 88 5.710 -9.241 11.388 691 HA GLU 88 HA GLU 88 8.053 -9.037 9.761 692 HB2 GLU 88 2HB GLU 88 7.293 -11.070 8.702 693 HB3 GLU 88 3HB GLU 88 7.094 -11.164 10.450 694 HG2 GLU 88 2HG GLU 88 4.643 -10.631 10.153 695 HG3 GLU 88 3HG GLU 88 4.884 -10.683 8.405 696 H ASP 89 H ASP 89 4.691 -8.051 9.082 697 HA ASP 89 HA ASP 89 5.292 -7.458 6.259 698 HB2 ASP 89 2HB ASP 89 2.901 -6.818 8.019 699 HB3 ASP 89 3HB ASP 89 3.044 -6.383 6.318 700 H LYS 90 H LYS 90 4.977 -5.609 9.311 701 HA LYS 90 HA LYS 90 5.389 -2.987 8.252 702 HB2 LYS 90 2HB LYS 90 6.011 -4.261 10.943 703 HB3 LYS 90 3HB LYS 90 6.326 -2.549 10.622 704 HG2 LYS 90 2HG LYS 90 4.055 -2.048 10.244 705 HG3 LYS 90 3HG LYS 90 3.605 -3.744 10.053 706 HD2 LYS 90 2HD LYS 90 2.779 -2.895 12.148 707 HD3 LYS 90 3HD LYS 90 3.954 -4.189 12.410 708 HE2 LYS 90 2HE LYS 90 5.677 -2.523 13.005 709 HE3 LYS 90 3HE LYS 90 4.542 -1.211 12.661 710 HZ1 LYS 90 3HZ LYS 90 3.095 -2.122 14.445 711 HZ2 LYS 90 1HZ LYS 90 4.202 -3.275 14.780 712 HZ3 LYS 90 2HZ LYS 90 4.570 -1.707 15.039 713 H GLU 91 H GLU 91 7.819 -5.386 9.324 714 HA GLU 91 HA GLU 91 10.096 -3.756 8.581 715 HB2 GLU 91 2HB GLU 91 9.770 -6.762 8.916 716 HB3 GLU 91 3HB GLU 91 11.314 -5.967 8.613 717 HG2 GLU 91 2HG GLU 91 9.534 -5.409 11.027 718 HG3 GLU 91 3HG GLU 91 10.902 -6.508 11.017 719 H ALA 92 H ALA 92 8.296 -6.315 6.759 720 HA ALA 92 HA ALA 92 10.018 -6.311 4.518 721 HB1 ALA 92 1HB ALA 92 8.422 -8.092 5.004 722 HB2 ALA 92 2HB ALA 92 7.059 -6.988 4.690 723 HB3 ALA 92 3HB ALA 92 8.160 -7.449 3.373 724 H LEU 93 H LEU 93 7.109 -4.263 5.083 725 HA LEU 93 HA LEU 93 7.057 -3.134 2.439 726 HB2 LEU 93 2HB LEU 93 6.017 -2.093 5.101 727 HB3 LEU 93 3HB LEU 93 5.647 -1.371 3.533 728 HG LEU 93 HG LEU 93 4.901 -4.241 4.202 729 HD11 LEU 93 1HD1 LEU 93 3.234 -1.695 4.391 730 HD12 LEU 93 2HD1 LEU 93 2.634 -3.358 4.597 731 HD13 LEU 93 3HD1 LEU 93 3.788 -2.689 5.759 732 HD21 LEU 93 3HD2 LEU 93 3.911 -2.340 2.056 733 HD22 LEU 93 1HD2 LEU 93 5.001 -3.727 1.797 734 HD23 LEU 93 2HD2 LEU 93 3.343 -3.997 2.345 735 H LYS 94 H LYS 94 8.689 -2.009 5.442 736 HA LYS 94 HA LYS 94 9.938 0.305 4.263 737 HB2 LYS 94 2HB LYS 94 10.681 -1.428 6.650 738 HB3 LYS 94 3HB LYS 94 11.484 0.087 6.229 739 HG2 LYS 94 2HG LYS 94 9.364 1.331 6.525 740 HG3 LYS 94 3HG LYS 94 8.538 -0.162 6.982 741 HD2 LYS 94 2HD LYS 94 10.874 1.125 8.471 742 HD3 LYS 94 3HD LYS 94 9.174 1.163 8.966 743 HE2 LYS 94 2HE LYS 94 9.178 -1.326 9.148 744 HE3 LYS 94 3HE LYS 94 10.875 -1.358 8.668 745 HZ1 LYS 94 3HZ LYS 94 11.405 -0.089 10.678 746 HZ2 LYS 94 1HZ LYS 94 9.835 -0.133 11.157 747 HZ3 LYS 94 2HZ LYS 94 10.699 -1.527 11.011 748 H LYS 95 H LYS 95 10.970 -3.147 4.636 749 HA LYS 95 HA LYS 95 13.612 -2.720 3.679 750 HB2 LYS 95 2HB LYS 95 11.825 -5.163 3.745 751 HB3 LYS 95 3HB LYS 95 13.439 -5.234 3.032 752 HG2 LYS 95 2HG LYS 95 14.511 -4.594 5.086 753 HG3 LYS 95 3HG LYS 95 12.984 -4.182 5.851 754 HD2 LYS 95 2HD LYS 95 13.754 -6.293 6.722 755 HD3 LYS 95 3HD LYS 95 12.283 -6.566 5.777 756 HE2 LYS 95 2HE LYS 95 13.653 -7.338 3.853 757 HE3 LYS 95 3HE LYS 95 15.133 -6.999 4.761 758 HZ1 LYS 95 3HZ LYS 95 14.537 -9.348 4.885 759 HZ2 LYS 95 1HZ LYS 95 14.453 -8.694 6.375 760 HZ3 LYS 95 2HZ LYS 95 13.082 -9.009 5.540 761 H GLN 96 H GLN 96 10.684 -2.915 1.832 762 HA GLN 96 HA GLN 96 12.057 -3.198 -0.758 763 HB2 GLN 96 2HB GLN 96 9.158 -2.702 0.014 764 HB3 GLN 96 3HB GLN 96 9.729 -2.828 -1.645 765 HG2 GLN 96 2HG GLN 96 10.043 -5.049 0.420 766 HG3 GLN 96 3HG GLN 96 8.711 -4.931 -0.717 767 HE21 GLN 96 2HE2 GLN 96 10.067 -7.251 -0.823 768 HE22 GLN 96 1HE2 GLN 96 11.113 -7.284 -2.236 769 H LEU 97 H LEU 97 10.681 -0.508 1.156 770 HA LEU 97 HA LEU 97 12.171 1.351 -0.560 771 HB2 LEU 97 2HB LEU 97 10.180 2.896 -0.797 772 HB3 LEU 97 3HB LEU 97 10.355 1.508 -1.841 773 HG LEU 97 HG LEU 97 8.597 0.281 -0.540 774 HD11 LEU 97 1HD1 LEU 97 8.208 2.990 0.792 775 HD12 LEU 97 2HD1 LEU 97 7.021 1.668 0.794 776 HD13 LEU 97 3HD1 LEU 97 8.582 1.438 1.589 777 HD21 LEU 97 3HD2 LEU 97 6.781 1.525 -1.588 778 HD22 LEU 97 1HD2 LEU 97 7.793 2.976 -1.698 779 HD23 LEU 97 2HD2 LEU 97 8.188 1.523 -2.649 780 HA PRO 98 HA PRO 98 12.267 2.157 3.925 781 HB2 PRO 98 2HB PRO 98 15.026 2.139 4.302 782 HB3 PRO 98 3HB PRO 98 13.947 0.733 4.416 783 HG2 PRO 98 2HG PRO 98 15.822 1.466 2.221 784 HG3 PRO 98 3HG PRO 98 15.175 -0.142 2.683 785 HD2 PRO 98 2HD PRO 98 14.319 1.488 0.524 786 HD3 PRO 98 3HD PRO 98 13.527 0.021 1.159 787 H GLY 99 H GLY 99 13.012 4.051 5.207 788 HA2 GLY 99 2HA GLY 99 12.932 6.440 3.655 789 HA3 GLY 99 3HA GLY 99 12.944 6.312 5.405 790 H VAL 100 H VAL 100 14.100 8.203 5.314 791 HA VAL 100 HA VAL 100 16.204 9.091 3.981 792 HB VAL 100 HB VAL 100 16.080 9.567 6.982 793 HG11 VAL 100 1HG1 VAL 100 16.794 11.868 6.332 794 HG12 VAL 100 2HG1 VAL 100 17.999 10.678 5.877 795 HG13 VAL 100 3HG1 VAL 100 16.914 11.350 4.638 796 HG21 VAL 100 3HG2 VAL 100 14.409 10.849 4.782 797 HG22 VAL 100 1HG2 VAL 100 13.805 9.865 6.145 798 HG23 VAL 100 2HG2 VAL 100 14.522 11.439 6.453 799 H LYS 101 H LYS 101 18.284 9.133 3.809 800 HA LYS 101 HA LYS 101 19.818 6.828 4.428 801 HB2 LYS 101 2HB LYS 101 19.903 8.667 2.481 802 HB3 LYS 101 3HB LYS 101 21.107 9.416 3.541 803 HG2 LYS 101 2HG LYS 101 22.289 7.142 3.574 804 HG3 LYS 101 3HG LYS 101 21.094 6.605 2.386 805 HD2 LYS 101 2HD LYS 101 21.851 8.465 0.853 806 HD3 LYS 101 3HD LYS 101 23.112 8.877 2.040 807 HE2 LYS 101 2HE LYS 101 23.987 6.528 1.854 808 HE3 LYS 101 3HE LYS 101 22.764 6.201 0.615 809 HZ1 LYS 101 3HZ LYS 101 25.039 8.100 0.409 810 HZ2 LYS 101 1HZ LYS 101 24.765 6.746 -0.473 811 HZ3 LYS 101 2HZ LYS 101 23.802 8.032 -0.706 812 H SER 102 H SER 102 19.323 9.524 6.449 813 HA SER 102 HA SER 102 21.826 9.849 7.745 814 HB2 SER 102 2HB SER 102 20.433 10.826 9.581 815 HB3 SER 102 3HB SER 102 20.086 11.484 7.972 816 HG SER 102 HG SER 102 18.181 10.934 9.199 817 H GLU 103 H GLU 103 19.559 7.219 8.024 818 HA GLU 103 HA GLU 103 20.445 6.117 10.540 819 HB2 GLU 103 2HB GLU 103 19.290 4.840 8.022 820 HB3 GLU 103 3HB GLU 103 19.534 3.993 9.559 821 HG2 GLU 103 2HG GLU 103 18.077 5.777 10.660 822 HG3 GLU 103 3HG GLU 103 17.633 6.304 9.033 823 H GLY 104 H GLY 104 22.002 6.220 7.395 824 HA2 GLY 104 2HA GLY 104 24.059 5.488 6.698 825 HA3 GLY 104 3HA GLY 104 24.404 4.923 8.334 826 H LYS 105 H LYS 105 21.548 3.470 7.256 827 HA LYS 105 HA LYS 105 22.960 0.889 6.825 828 HB2 LYS 105 2HB LYS 105 20.016 1.379 7.356 829 HB3 LYS 105 3HB LYS 105 20.868 -0.158 7.437 830 HG2 LYS 105 2HG LYS 105 21.143 2.200 9.328 831 HG3 LYS 105 3HG LYS 105 20.401 0.641 9.654 832 HD2 LYS 105 2HD LYS 105 22.620 -0.474 9.456 833 HD3 LYS 105 3HD LYS 105 23.365 1.083 9.072 834 HE2 LYS 105 2HE LYS 105 23.819 0.682 11.361 835 HE3 LYS 105 3HE LYS 105 22.634 1.986 11.273 836 HZ1 LYS 105 3HZ LYS 105 22.065 0.336 12.975 837 HZ2 LYS 105 1HZ LYS 105 20.903 0.355 11.834 838 HZ3 LYS 105 2HZ LYS 105 21.999 -0.862 11.872 839 H ARG 106 H ARG 106 21.541 3.162 4.778 840 HA ARG 106 HA ARG 106 20.194 1.417 2.901 841 HB2 ARG 106 2HB ARG 106 21.404 4.182 2.469 842 HB3 ARG 106 3HB ARG 106 20.317 3.363 1.358 843 HG2 ARG 106 2HG ARG 106 19.607 4.385 4.136 844 HG3 ARG 106 3HG ARG 106 19.146 5.067 2.584 845 HD2 ARG 106 2HD ARG 106 17.210 3.959 3.015 846 HD3 ARG 106 3HD ARG 106 18.060 2.679 2.166 847 HE ARG 106 HE ARG 106 18.168 1.451 4.161 848 HH11 ARG 106 1HH2 ARG 106 17.020 4.713 5.011 849 HH12 ARG 106 2HH2 ARG 106 16.873 4.215 6.698 850 HH21 ARG 106 1HH1 ARG 106 17.684 1.009 6.356 851 HH22 ARG 106 2HH1 ARG 106 17.141 2.366 7.349 852 H LYS 107 H LYS 107 23.531 2.528 3.056 853 HA LYS 107 HA LYS 107 25.397 2.184 1.774 854 HB2 LYS 107 2HB LYS 107 24.157 -0.524 2.103 855 HB3 LYS 107 3HB LYS 107 25.443 -0.400 0.924 856 HG2 LYS 107 2HG LYS 107 26.442 -1.043 2.959 857 HG3 LYS 107 3HG LYS 107 26.949 0.609 2.607 858 HD2 LYS 107 2HD LYS 107 25.273 1.448 4.278 859 HD3 LYS 107 3HD LYS 107 24.817 -0.238 4.624 860 HE2 LYS 107 2HE LYS 107 27.217 -0.695 5.241 861 HE3 LYS 107 3HE LYS 107 27.587 1.009 4.952 862 HZ1 LYS 107 3HZ LYS 107 25.769 -0.057 7.040 863 HZ2 LYS 107 1HZ LYS 107 27.199 0.692 7.284 864 HZ3 LYS 107 2HZ LYS 107 25.919 1.542 6.708 865 H GLY 108 H GLY 108 22.999 3.144 0.255 866 HA2 GLY 108 2HA GLY 108 23.497 2.340 -2.508 867 HA3 GLY 108 3HA GLY 108 22.496 3.682 -1.958 868 H ASP 109 H ASP 109 25.143 3.037 -3.721 869 HA ASP 109 HA ASP 109 26.815 5.329 -3.059 870 HB2 ASP 109 2HB ASP 109 27.672 3.212 -4.027 871 HB3 ASP 109 3HB ASP 109 26.800 3.552 -5.521 872 H GLU 110 H GLU 110 24.396 6.370 -3.148 873 HA GLU 110 HA GLU 110 24.294 8.183 -5.471 874 HB2 GLU 110 2HB GLU 110 22.968 6.163 -6.094 875 HB3 GLU 110 3HB GLU 110 21.993 6.354 -4.641 876 HG2 GLU 110 2HG GLU 110 20.816 7.122 -6.636 877 HG3 GLU 110 3HG GLU 110 21.045 8.430 -5.494 878 H VAL 111 H VAL 111 22.948 10.036 -5.094 879 HA VAL 111 HA VAL 111 22.706 11.922 -3.848 880 HB VAL 111 HB VAL 111 20.749 11.927 -2.344 881 HG11 VAL 111 1HG1 VAL 111 20.337 10.522 -5.000 882 HG12 VAL 111 2HG1 VAL 111 19.128 11.438 -4.081 883 HG13 VAL 111 3HG1 VAL 111 20.542 12.267 -4.752 884 HG21 VAL 111 3HG2 VAL 111 20.916 9.614 -1.405 885 HG22 VAL 111 1HG2 VAL 111 19.330 9.985 -2.095 886 HG23 VAL 111 2HG2 VAL 111 20.466 8.966 -2.997 887 H ASP 112 H ASP 112 25.003 10.859 -3.041 888 HA ASP 112 HA ASP 112 25.090 10.762 -0.096 889 HB2 ASP 112 2HB ASP 112 26.127 9.032 -1.686 890 HB3 ASP 112 3HB ASP 112 27.382 10.225 -2.000 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -5.995 4.567 23.027 2 H2 GLY 1 H2 GLY 1 -4.918 4.467 24.257 3 H3 GLY 1 H3 GLY 1 -6.152 3.393 24.159 4 HA2 GLY 1 2HA GLY 1 -4.095 2.356 23.460 5 HA3 GLY 1 3HA GLY 1 -5.275 2.444 22.139 6 H SER 2 H SER 2 -2.269 2.346 22.141 7 HA SER 2 HA SER 2 -1.193 4.870 21.349 8 HB2 SER 2 2HB SER 2 -0.219 2.070 20.671 9 HB3 SER 2 3HB SER 2 0.725 3.568 20.559 10 HG SER 2 HG SER 2 1.108 2.436 22.530 11 H LYS 3 H LYS 3 -0.579 5.681 19.335 12 HA LYS 3 HA LYS 3 -2.368 5.109 17.085 13 HB2 LYS 3 2HB LYS 3 0.029 6.987 17.246 14 HB3 LYS 3 3HB LYS 3 -1.192 6.967 15.980 15 HG2 LYS 3 2HG LYS 3 -1.632 7.734 18.898 16 HG3 LYS 3 3HG LYS 3 -1.551 8.820 17.514 17 HD2 LYS 3 2HD LYS 3 -3.600 7.741 16.561 18 HD3 LYS 3 3HD LYS 3 -3.710 6.722 18.018 19 HE2 LYS 3 2HE LYS 3 -3.853 8.751 19.434 20 HE3 LYS 3 3HE LYS 3 -3.745 9.771 17.993 21 HZ1 LYS 3 3HZ LYS 3 -5.938 7.842 18.552 22 HZ2 LYS 3 1HZ LYS 3 -6.050 9.464 18.686 23 HZ3 LYS 3 2HZ LYS 3 -5.837 8.786 17.219 24 H ALA 4 H ALA 4 -1.756 4.511 14.985 25 HA ALA 4 HA ALA 4 0.236 2.388 14.924 26 HB1 ALA 4 1HB ALA 4 -1.740 3.328 12.810 27 HB2 ALA 4 2HB ALA 4 -0.825 1.804 12.799 28 HB3 ALA 4 3HB ALA 4 -2.052 2.088 14.048 29 H GLU 5 H GLU 5 1.566 4.733 15.250 30 HA GLU 5 HA GLU 5 3.128 6.181 14.578 31 HB2 GLU 5 2HB GLU 5 3.626 4.276 12.274 32 HB3 GLU 5 3HB GLU 5 4.636 5.658 12.702 33 HG2 GLU 5 2HG GLU 5 4.927 4.677 15.004 34 HG3 GLU 5 3HG GLU 5 4.066 3.236 14.459 35 H LYS 6 H LYS 6 3.816 7.862 13.031 36 HA LYS 6 HA LYS 6 1.415 9.237 12.190 37 HB2 LYS 6 2HB LYS 6 3.300 10.360 13.328 38 HB3 LYS 6 3HB LYS 6 4.330 10.082 11.912 39 HG2 LYS 6 2HG LYS 6 2.848 11.475 10.523 40 HG3 LYS 6 3HG LYS 6 1.711 11.653 11.873 41 HD2 LYS 6 2HD LYS 6 3.447 12.866 13.168 42 HD3 LYS 6 3HD LYS 6 4.581 12.690 11.806 43 HE2 LYS 6 2HE LYS 6 3.012 13.922 10.332 44 HE3 LYS 6 3HE LYS 6 1.859 14.075 11.662 45 HZ1 LYS 6 3HZ LYS 6 3.503 15.414 12.855 46 HZ2 LYS 6 1HZ LYS 6 4.584 15.261 11.619 47 HZ3 LYS 6 2HZ LYS 6 3.201 16.077 11.389 48 H THR 7 H THR 7 0.622 9.684 10.265 49 HA THR 7 HA THR 7 1.797 8.455 7.798 50 HB THR 7 HB THR 7 -1.051 9.299 8.363 51 HG1 THR 7 1HG THR 7 -0.357 7.546 9.657 52 HG21 THR 7 1HG2 THR 7 -0.117 8.844 5.836 53 HG22 THR 7 2HG2 THR 7 -0.495 7.212 6.303 54 HG23 THR 7 3HG2 THR 7 -1.738 8.486 6.365 55 H LEU 8 H LEU 8 1.897 9.708 5.882 56 HA LEU 8 HA LEU 8 1.995 12.604 6.215 57 HB2 LEU 8 2HB LEU 8 2.915 12.753 4.164 58 HB3 LEU 8 3HB LEU 8 3.391 11.124 4.608 59 HG LEU 8 HG LEU 8 1.094 11.916 2.754 60 HD11 LEU 8 1HD1 LEU 8 3.720 10.568 2.093 61 HD12 LEU 8 2HD1 LEU 8 2.437 11.020 0.960 62 HD13 LEU 8 3HD1 LEU 8 3.349 12.282 1.804 63 HD21 LEU 8 3HD2 LEU 8 2.151 9.171 3.522 64 HD22 LEU 8 1HD2 LEU 8 0.525 9.776 3.825 65 HD23 LEU 8 2HD2 LEU 8 1.040 9.476 2.170 66 H GLY 9 H GLY 9 -0.699 10.580 5.587 67 HA2 GLY 9 2HA GLY 9 -2.929 11.240 5.521 68 HA3 GLY 9 3HA GLY 9 -2.460 12.891 5.144 69 H ASP 10 H ASP 10 -1.389 10.071 3.193 70 HA ASP 10 HA ASP 10 -3.196 10.835 0.983 71 HB2 ASP 10 2HB ASP 10 -0.368 11.503 1.154 72 HB3 ASP 10 3HB ASP 10 -0.599 10.316 -0.117 73 H PHE 11 H PHE 11 -1.361 8.299 2.617 74 HA PHE 11 HA PHE 11 -2.699 6.324 0.922 75 HB2 PHE 11 2HB PHE 11 -0.436 5.091 0.655 76 HB3 PHE 11 3HB PHE 11 -0.920 6.337 -0.433 77 HD1 PHE 11 HD2 PHE 11 1.175 6.111 2.745 78 HD2 PHE 11 HD1 PHE 11 0.635 7.796 -1.190 79 HE1 PHE 11 HE2 PHE 11 3.459 7.055 2.824 80 HE2 PHE 11 HE1 PHE 11 2.891 8.809 -1.063 81 HZ PHE 11 HZ PHE 11 4.310 8.420 0.934 82 H ALA 12 H ALA 12 -2.642 4.154 1.683 83 HA ALA 12 HA ALA 12 -2.450 3.901 4.644 84 HB1 ALA 12 1HB ALA 12 -4.930 3.391 2.959 85 HB2 ALA 12 2HB ALA 12 -4.787 3.164 4.710 86 HB3 ALA 12 3HB ALA 12 -4.684 4.796 4.010 87 H ALA 13 H ALA 13 -2.672 1.733 5.461 88 HA ALA 13 HA ALA 13 -2.260 -0.504 3.548 89 HB1 ALA 13 1HB ALA 13 -0.639 0.069 6.070 90 HB2 ALA 13 2HB ALA 13 -0.380 -1.228 4.871 91 HB3 ALA 13 3HB ALA 13 -0.107 0.467 4.427 92 H GLU 14 H GLU 14 -3.329 -2.366 4.090 93 HA GLU 14 HA GLU 14 -4.228 -2.922 6.850 94 HB2 GLU 14 2HB GLU 14 -5.989 -1.408 5.627 95 HB3 GLU 14 3HB GLU 14 -6.267 -2.811 4.595 96 HG2 GLU 14 2HG GLU 14 -6.713 -4.107 6.816 97 HG3 GLU 14 3HG GLU 14 -6.673 -2.537 7.601 98 H TYR 15 H TYR 15 -4.680 -5.262 7.119 99 HA TYR 15 HA TYR 15 -4.140 -7.074 4.934 100 HB2 TYR 15 2HB TYR 15 -5.289 -7.316 7.684 101 HB3 TYR 15 3HB TYR 15 -5.717 -8.554 6.510 102 HD1 TYR 15 HD1 TYR 15 -2.499 -6.651 6.944 103 HD2 TYR 15 HD2 TYR 15 -4.484 -10.475 7.000 104 HE1 TYR 15 HE1 TYR 15 -0.314 -7.743 7.078 105 HE2 TYR 15 HE2 TYR 15 -2.272 -11.603 7.185 106 HH TYR 15 HH TYR 15 0.807 -9.825 6.972 107 H ALA 16 H ALA 16 -5.304 -7.844 3.355 108 HA ALA 16 HA ALA 16 -7.736 -6.634 2.493 109 HB1 ALA 16 1HB ALA 16 -6.340 -9.184 1.664 110 HB2 ALA 16 2HB ALA 16 -7.615 -8.370 0.728 111 HB3 ALA 16 3HB ALA 16 -6.045 -7.572 0.987 112 H LYS 17 H LYS 17 -9.653 -6.882 3.482 113 HA LYS 17 HA LYS 17 -10.300 -9.225 5.087 114 HB2 LYS 17 2HB LYS 17 -11.975 -6.780 4.383 115 HB3 LYS 17 3HB LYS 17 -12.379 -8.007 5.593 116 HG2 LYS 17 2HG LYS 17 -10.176 -7.478 6.750 117 HG3 LYS 17 3HG LYS 17 -10.002 -6.095 5.670 118 HD2 LYS 17 2HD LYS 17 -12.289 -6.572 7.623 119 HD3 LYS 17 3HD LYS 17 -10.925 -5.498 7.902 120 HE2 LYS 17 2HE LYS 17 -12.963 -5.155 5.654 121 HE3 LYS 17 3HE LYS 17 -13.051 -4.353 7.224 122 HZ1 LYS 17 3HZ LYS 17 -10.825 -3.982 5.284 123 HZ2 LYS 17 1HZ LYS 17 -12.007 -2.897 5.616 124 HZ3 LYS 17 2HZ LYS 17 -10.878 -3.293 6.731 125 H SER 18 H SER 18 -10.953 -8.399 1.804 126 HA SER 18 HA SER 18 -12.409 -10.949 1.394 127 HB2 SER 18 2HB SER 18 -13.455 -8.251 0.433 128 HB3 SER 18 3HB SER 18 -14.097 -9.835 -0.039 129 HG SER 18 HG SER 18 -15.296 -8.875 1.671 130 H ASN 19 H ASN 19 -12.173 -11.797 -0.709 131 HA ASN 19 HA ASN 19 -9.978 -10.754 -2.346 132 HB2 ASN 19 2HB ASN 19 -10.273 -13.180 -1.834 133 HB3 ASN 19 3HB ASN 19 -11.810 -13.149 -2.719 134 HD21 ASN 19 2HD2 ASN 19 -8.587 -11.704 -3.646 135 HD22 ASN 19 1HD2 ASN 19 -8.444 -12.747 -5.046 136 H ARG 20 H ARG 20 -11.957 -8.873 -2.255 137 HA ARG 20 HA ARG 20 -13.265 -8.925 -4.961 138 HB2 ARG 20 2HB ARG 20 -14.147 -7.497 -2.418 139 HB3 ARG 20 3HB ARG 20 -14.944 -7.355 -3.978 140 HG2 ARG 20 2HG ARG 20 -14.757 -9.934 -2.349 141 HG3 ARG 20 3HG ARG 20 -16.125 -8.830 -2.402 142 HD2 ARG 20 2HD ARG 20 -16.726 -10.559 -3.848 143 HD3 ARG 20 3HD ARG 20 -16.242 -9.227 -4.915 144 HE ARG 20 HE ARG 20 -13.946 -10.809 -4.502 145 HH11 ARG 20 1HH2 ARG 20 -17.043 -11.361 -6.047 146 HH12 ARG 20 2HH2 ARG 20 -16.358 -12.511 -7.163 147 HH21 ARG 20 1HH1 ARG 20 -13.153 -12.185 -5.894 148 HH22 ARG 20 2HH1 ARG 20 -14.174 -12.989 -7.072 149 H SER 21 H SER 21 -11.047 -7.221 -2.952 150 HA SER 21 HA SER 21 -10.929 -4.779 -4.524 151 HB2 SER 21 2HB SER 21 -8.810 -6.060 -2.751 152 HB3 SER 21 3HB SER 21 -8.800 -4.397 -3.369 153 HG SER 21 HG SER 21 -10.906 -4.202 -2.249 154 H THR 22 H THR 22 -9.325 -4.177 -6.026 155 HA THR 22 HA THR 22 -7.697 -6.339 -7.287 156 HB THR 22 HB THR 22 -9.313 -4.266 -8.758 157 HG1 THR 22 1HG THR 22 -10.544 -6.019 -9.459 158 HG21 THR 22 1HG2 THR 22 -7.252 -4.894 -10.007 159 HG22 THR 22 2HG2 THR 22 -7.735 -6.604 -9.894 160 HG23 THR 22 3HG2 THR 22 -8.716 -5.455 -10.818 161 H CYS 23 HN CYS 23 -5.693 -5.778 -7.789 162 HA CYS 23 HA CYS 23 -4.581 -3.328 -6.805 163 HB2 CYS 23 2HB CYS 23 -3.405 -5.400 -6.678 164 HB3 CYS 23 3HB CYS 23 -3.642 -5.702 -8.401 165 H LYS 24 H LYS 24 -4.832 -1.493 -7.778 166 HA LYS 24 HA LYS 24 -5.339 -1.130 -10.624 167 HB2 LYS 24 2HB LYS 24 -4.792 0.843 -8.393 168 HB3 LYS 24 3HB LYS 24 -5.419 1.247 -10.000 169 HG2 LYS 24 2HG LYS 24 -6.853 -0.420 -7.880 170 HG3 LYS 24 3HG LYS 24 -7.215 1.236 -8.332 171 HD2 LYS 24 2HD LYS 24 -7.800 0.477 -10.640 172 HD3 LYS 24 3HD LYS 24 -7.544 -1.208 -10.117 173 HE2 LYS 24 2HE LYS 24 -9.269 -0.969 -8.383 174 HE3 LYS 24 3HE LYS 24 -9.502 0.732 -8.813 175 HZ1 LYS 24 3HZ LYS 24 -10.051 -1.562 -10.629 176 HZ2 LYS 24 1HZ LYS 24 -11.182 -0.680 -9.853 177 HZ3 LYS 24 2HZ LYS 24 -10.269 0.014 -11.010 178 H GLY 25 H GLY 25 -2.537 -1.726 -8.886 179 HA2 GLY 25 2HA GLY 25 -0.638 -0.237 -10.546 180 HA3 GLY 25 3HA GLY 25 -0.285 -1.576 -9.450 181 H CYS 26 HN CYS 26 -1.621 -3.673 -10.375 182 HA CYS 26 HA CYS 26 -0.554 -4.051 -13.135 183 HB2 CYS 26 2HB CYS 26 0.241 -6.176 -12.634 184 HB3 CYS 26 3HB CYS 26 0.817 -5.084 -11.375 185 H MET 27 H MET 27 -3.548 -3.994 -11.743 186 HA MET 27 HA MET 27 -5.603 -4.634 -12.382 187 HB2 MET 27 2HB MET 27 -4.411 -5.446 -15.046 188 HB3 MET 27 3HB MET 27 -6.113 -5.226 -14.703 189 HG2 MET 27 2HG MET 27 -4.156 -2.929 -14.397 190 HG3 MET 27 3HG MET 27 -4.824 -3.406 -15.946 191 HE1 MET 27 3HE MET 27 -6.986 -1.063 -12.675 192 HE2 MET 27 1HE MET 27 -6.273 -2.622 -12.221 193 HE3 MET 27 2HE MET 27 -5.240 -1.326 -12.873 194 H GLU 28 H GLU 28 -4.438 -6.379 -10.680 195 HA GLU 28 HA GLU 28 -5.772 -8.921 -11.476 196 HB2 GLU 28 2HB GLU 28 -2.998 -8.793 -10.230 197 HB3 GLU 28 3HB GLU 28 -4.029 -10.224 -10.285 198 HG2 GLU 28 2HG GLU 28 -4.093 -10.017 -12.803 199 HG3 GLU 28 3HG GLU 28 -2.897 -8.722 -12.676 200 H LYS 29 H LYS 29 -6.680 -10.115 -9.751 201 HA LYS 29 HA LYS 29 -7.748 -8.318 -7.788 202 HB2 LYS 29 2HB LYS 29 -9.110 -10.130 -7.001 203 HB3 LYS 29 3HB LYS 29 -9.166 -10.011 -8.758 204 HG2 LYS 29 2HG LYS 29 -7.673 -11.957 -8.983 205 HG3 LYS 29 3HG LYS 29 -7.474 -12.035 -7.221 206 HD2 LYS 29 2HD LYS 29 -9.940 -12.382 -6.984 207 HD3 LYS 29 3HD LYS 29 -10.079 -12.459 -8.748 208 HE2 LYS 29 2HE LYS 29 -8.714 -14.441 -8.865 209 HE3 LYS 29 3HE LYS 29 -8.181 -14.262 -7.190 210 HZ1 LYS 29 3HZ LYS 29 -10.969 -14.880 -8.000 211 HZ2 LYS 29 1HZ LYS 29 -9.907 -15.951 -7.376 212 HZ3 LYS 29 2HZ LYS 29 -10.441 -14.710 -6.452 213 H ILE 30 H ILE 30 -7.410 -8.027 -5.714 214 HA ILE 30 HA ILE 30 -4.880 -8.976 -4.599 215 HB ILE 30 HB ILE 30 -7.018 -7.039 -3.723 216 HG12 ILE 30 2HG1 ILE 30 -4.034 -6.635 -4.237 217 HG13 ILE 30 3HG1 ILE 30 -5.221 -6.568 -5.530 218 HG21 ILE 30 1HG2 ILE 30 -4.527 -7.717 -2.110 219 HG22 ILE 30 2HG2 ILE 30 -5.727 -6.448 -1.764 220 HG23 ILE 30 3HG2 ILE 30 -6.192 -8.134 -1.632 221 HD11 ILE 30 3HD1 ILE 30 -6.373 -4.691 -4.437 222 HD12 ILE 30 1HD1 ILE 30 -5.146 -4.695 -3.139 223 HD13 ILE 30 2HD1 ILE 30 -4.678 -4.343 -4.812 224 H GLU 31 H GLU 31 -4.523 -10.545 -3.145 225 HA GLU 31 HA GLU 31 -6.585 -12.514 -2.702 226 HB2 GLU 31 2HB GLU 31 -3.813 -12.437 -1.481 227 HB3 GLU 31 3HB GLU 31 -4.892 -13.826 -1.635 228 HG2 GLU 31 2HG GLU 31 -4.708 -13.463 -4.183 229 HG3 GLU 31 3HG GLU 31 -3.391 -12.335 -3.804 230 H LYS 32 H LYS 32 -7.648 -13.054 -0.879 231 HA LYS 32 HA LYS 32 -7.934 -11.171 1.317 232 HB2 LYS 32 2HB LYS 32 -9.788 -12.593 0.537 233 HB3 LYS 32 3HB LYS 32 -8.904 -14.048 1.018 234 HG2 LYS 32 2HG LYS 32 -8.995 -13.350 3.383 235 HG3 LYS 32 3HG LYS 32 -9.788 -11.830 2.922 236 HD2 LYS 32 2HD LYS 32 -11.728 -13.084 2.090 237 HD3 LYS 32 3HD LYS 32 -10.914 -14.624 2.460 238 HE2 LYS 32 2HE LYS 32 -10.844 -14.051 4.850 239 HE3 LYS 32 3HE LYS 32 -11.551 -12.467 4.522 240 HZ1 LYS 32 3HZ LYS 32 -12.925 -15.058 4.037 241 HZ2 LYS 32 1HZ LYS 32 -13.226 -14.054 5.287 242 HZ3 LYS 32 2HZ LYS 32 -13.573 -13.579 3.766 243 H GLY 33 H GLY 33 -7.273 -11.312 3.405 244 HA2 GLY 33 2HA GLY 33 -6.143 -12.004 5.295 245 HA3 GLY 33 3HA GLY 33 -5.900 -13.580 4.544 246 H GLN 34 H GLN 34 -4.642 -10.928 2.744 247 HA GLN 34 HA GLN 34 -2.020 -10.919 4.096 248 HB2 GLN 34 2HB GLN 34 -0.779 -11.023 2.004 249 HB3 GLN 34 3HB GLN 34 -1.685 -12.486 2.328 250 HG2 GLN 34 2HG GLN 34 -1.920 -12.165 0.016 251 HG3 GLN 34 3HG GLN 34 -3.457 -11.655 0.680 252 HE21 GLN 34 1HE2 GLN 34 -4.143 -9.508 0.154 253 HE22 GLN 34 2HE2 GLN 34 -2.999 -8.286 -0.422 254 H VAL 35 H VAL 35 -0.690 -8.973 3.383 255 HA VAL 35 HA VAL 35 -2.294 -6.662 3.886 256 HB VAL 35 HB VAL 35 -0.139 -6.758 4.799 257 HG11 VAL 35 1HG1 VAL 35 1.020 -6.849 2.000 258 HG12 VAL 35 2HG1 VAL 35 1.947 -6.596 3.498 259 HG13 VAL 35 3HG1 VAL 35 1.107 -8.122 3.243 260 HG21 VAL 35 3HG2 VAL 35 -0.021 -4.593 2.668 261 HG22 VAL 35 1HG2 VAL 35 -0.987 -4.501 4.161 262 HG23 VAL 35 2HG2 VAL 35 0.778 -4.611 4.244 263 H ARG 36 H ARG 36 -2.995 -5.004 2.733 264 HA ARG 36 HA ARG 36 -2.337 -4.703 -0.143 265 HB2 ARG 36 2HB ARG 36 -4.651 -4.069 -0.630 266 HB3 ARG 36 3HB ARG 36 -4.510 -5.747 -0.092 267 HG2 ARG 36 2HG ARG 36 -5.448 -5.261 2.056 268 HG3 ARG 36 3HG ARG 36 -5.330 -3.523 1.802 269 HD2 ARG 36 2HD ARG 36 -6.985 -3.778 -0.102 270 HD3 ARG 36 3HD ARG 36 -7.233 -5.449 0.426 271 HE ARG 36 HE ARG 36 -7.564 -3.949 2.745 272 HH11 ARG 36 1HH2 ARG 36 -9.294 -3.875 -0.343 273 HH12 ARG 36 2HH2 ARG 36 -10.535 -2.878 0.333 274 HH21 ARG 36 1HH1 ARG 36 -9.268 -2.842 3.512 275 HH22 ARG 36 2HH1 ARG 36 -10.547 -2.331 2.426 276 H LEU 37 H LEU 37 -2.165 -2.562 -0.846 277 HA LEU 37 HA LEU 37 -2.266 -0.447 1.270 278 HB2 LEU 37 2HB LEU 37 -0.437 -0.423 -1.148 279 HB3 LEU 37 3HB LEU 37 -0.481 0.665 0.260 280 HG LEU 37 HG LEU 37 1.450 -0.516 0.464 281 HD11 LEU 37 1HD1 LEU 37 -0.402 -1.984 2.348 282 HD12 LEU 37 2HD1 LEU 37 1.279 -1.466 2.603 283 HD13 LEU 37 3HD1 LEU 37 -0.007 -0.255 2.445 284 HD21 LEU 37 3HD2 LEU 37 0.977 -2.451 -1.019 285 HD22 LEU 37 1HD2 LEU 37 1.769 -2.876 0.516 286 HD23 LEU 37 2HD2 LEU 37 0.051 -3.216 0.294 287 H SER 38 H SER 38 -2.892 1.693 0.587 288 HA SER 38 HA SER 38 -3.893 1.933 -2.164 289 HB2 SER 38 2HB SER 38 -5.986 2.967 -1.538 290 HB3 SER 38 3HB SER 38 -5.876 1.350 -0.845 291 HG SER 38 HG SER 38 -6.617 2.778 0.724 292 H LYS 39 H LYS 39 -4.182 4.013 -2.957 293 HA LYS 39 HA LYS 39 -2.874 6.289 -1.486 294 HB2 LYS 39 2HB LYS 39 -1.404 5.638 -3.311 295 HB3 LYS 39 3HB LYS 39 -2.773 5.461 -4.399 296 HG2 LYS 39 2HG LYS 39 -1.797 7.375 -5.150 297 HG3 LYS 39 3HG LYS 39 -3.140 7.988 -4.213 298 HD2 LYS 39 2HD LYS 39 -1.557 8.564 -2.367 299 HD3 LYS 39 3HD LYS 39 -0.221 7.923 -3.366 300 HE2 LYS 39 2HE LYS 39 -0.935 9.488 -5.210 301 HE3 LYS 39 3HE LYS 39 -2.125 10.196 -4.101 302 HZ1 LYS 39 3HZ LYS 39 -0.376 11.005 -2.729 303 HZ2 LYS 39 1HZ LYS 39 0.796 10.180 -3.606 304 HZ3 LYS 39 2HZ LYS 39 -0.021 11.441 -4.245 305 H LYS 40 H LYS 40 -4.095 8.093 -1.299 306 HA LYS 40 HA LYS 40 -6.735 8.265 -2.652 307 HB2 LYS 40 2HB LYS 40 -6.820 8.663 -0.354 308 HB3 LYS 40 3HB LYS 40 -5.456 9.744 -0.350 309 HG2 LYS 40 2HG LYS 40 -8.047 10.364 -1.895 310 HG3 LYS 40 3HG LYS 40 -7.898 10.673 -0.171 311 HD2 LYS 40 2HD LYS 40 -6.443 12.055 -2.424 312 HD3 LYS 40 3HD LYS 40 -7.489 12.743 -1.183 313 HE2 LYS 40 2HE LYS 40 -5.747 12.199 0.545 314 HE3 LYS 40 3HE LYS 40 -4.718 11.560 -0.746 315 HZ1 LYS 40 3HZ LYS 40 -4.007 13.714 -0.319 316 HZ2 LYS 40 1HZ LYS 40 -4.758 13.796 -1.754 317 HZ3 LYS 40 2HZ LYS 40 -5.517 14.383 -0.415 318 H MET 41 H MET 41 -6.710 9.040 -4.676 319 HA MET 41 HA MET 41 -5.629 11.667 -5.211 320 HB2 MET 41 2HB MET 41 -4.120 11.160 -7.028 321 HB3 MET 41 3HB MET 41 -3.530 10.482 -5.524 322 HG2 MET 41 2HG MET 41 -4.405 8.248 -6.206 323 HG3 MET 41 3HG MET 41 -4.951 8.953 -7.732 324 HE1 MET 41 3HE MET 41 -3.810 7.195 -9.044 325 HE2 MET 41 1HE MET 41 -2.098 6.704 -8.891 326 HE3 MET 41 2HE MET 41 -3.238 6.437 -7.543 327 H VAL 42 H VAL 42 -6.482 12.609 -7.168 328 HA VAL 42 HA VAL 42 -8.764 11.510 -8.369 329 HB VAL 42 HB VAL 42 -6.792 13.466 -9.613 330 HG11 VAL 42 1HG1 VAL 42 -8.300 12.588 -11.322 331 HG12 VAL 42 2HG1 VAL 42 -9.711 12.872 -10.273 332 HG13 VAL 42 3HG1 VAL 42 -8.774 14.236 -10.922 333 HG21 VAL 42 3HG2 VAL 42 -9.310 13.989 -7.976 334 HG22 VAL 42 1HG2 VAL 42 -7.641 14.332 -7.469 335 HG23 VAL 42 2HG2 VAL 42 -8.346 15.217 -8.817 336 H ASP 43 H ASP 43 -9.076 9.976 -9.948 337 HA ASP 43 HA ASP 43 -6.828 8.397 -10.862 338 HB2 ASP 43 2HB ASP 43 -9.041 7.428 -10.379 339 HB3 ASP 43 3HB ASP 43 -9.728 8.302 -11.747 340 HA PRO 44 HA PRO 44 -5.937 11.000 -14.323 341 HB2 PRO 44 2HB PRO 44 -3.984 9.539 -15.597 342 HB3 PRO 44 3HB PRO 44 -3.741 10.324 -14.007 343 HG2 PRO 44 2HG PRO 44 -4.540 7.436 -14.542 344 HG3 PRO 44 3HG PRO 44 -3.215 8.038 -13.486 345 HD2 PRO 44 2HD PRO 44 -5.626 7.372 -12.483 346 HD3 PRO 44 3HD PRO 44 -4.736 8.796 -11.859 347 H GLU 45 H GLU 45 -7.403 7.896 -14.811 348 HA GLU 45 HA GLU 45 -7.948 8.479 -17.706 349 HB2 GLU 45 2HB GLU 45 -8.341 5.915 -16.117 350 HB3 GLU 45 3HB GLU 45 -8.692 6.137 -17.824 351 HG2 GLU 45 2HG GLU 45 -5.943 6.245 -16.511 352 HG3 GLU 45 3HG GLU 45 -6.584 4.946 -17.505 353 H LYS 46 H LYS 46 -9.291 8.733 -14.616 354 HA LYS 46 HA LYS 46 -11.970 9.381 -15.661 355 HB2 LYS 46 2HB LYS 46 -11.343 7.542 -13.310 356 HB3 LYS 46 3HB LYS 46 -12.932 8.241 -13.553 357 HG2 LYS 46 2HG LYS 46 -11.674 6.490 -15.700 358 HG3 LYS 46 3HG LYS 46 -12.474 5.822 -14.293 359 HD2 LYS 46 2HD LYS 46 -14.090 5.864 -16.037 360 HD3 LYS 46 3HD LYS 46 -14.541 7.041 -14.813 361 HE2 LYS 46 2HE LYS 46 -15.019 8.028 -16.909 362 HE3 LYS 46 3HE LYS 46 -13.606 8.862 -16.265 363 HZ1 LYS 46 3HZ LYS 46 -12.209 7.606 -17.764 364 HZ2 LYS 46 1HZ LYS 46 -13.467 6.678 -18.280 365 HZ3 LYS 46 2HZ LYS 46 -13.408 8.267 -18.645 366 HA PRO 47 HA PRO 47 -10.167 12.559 -12.742 367 HB2 PRO 47 2HB PRO 47 -10.087 14.725 -14.432 368 HB3 PRO 47 3HB PRO 47 -8.764 13.530 -14.270 369 HG2 PRO 47 2HG PRO 47 -10.979 13.576 -16.351 370 HG3 PRO 47 3HG PRO 47 -9.209 13.395 -16.615 371 HD2 PRO 47 2HD PRO 47 -10.841 11.247 -16.539 372 HD3 PRO 47 3HD PRO 47 -9.210 11.200 -15.802 373 H GLN 48 H GLN 48 -13.039 11.974 -14.414 374 HA GLN 48 HA GLN 48 -14.575 14.361 -13.671 375 HB2 GLN 48 2HB GLN 48 -15.385 11.607 -14.706 376 HB3 GLN 48 3HB GLN 48 -16.470 12.989 -14.534 377 HG2 GLN 48 2HG GLN 48 -15.232 14.247 -16.229 378 HG3 GLN 48 3HG GLN 48 -14.021 12.971 -16.362 379 HE21 GLN 48 2HE2 GLN 48 -17.435 13.778 -17.094 380 HE22 GLN 48 1HE2 GLN 48 -17.634 12.452 -18.232 381 H LEU 49 H LEU 49 -13.612 11.370 -12.153 382 HA LEU 49 HA LEU 49 -15.855 11.050 -10.373 383 HB2 LEU 49 2HB LEU 49 -14.584 9.306 -11.586 384 HB3 LEU 49 3HB LEU 49 -13.099 9.817 -10.774 385 HG LEU 49 HG LEU 49 -13.859 9.023 -8.662 386 HD11 LEU 49 1HD1 LEU 49 -16.269 9.396 -8.794 387 HD12 LEU 49 2HD1 LEU 49 -16.409 8.242 -10.143 388 HD13 LEU 49 3HD1 LEU 49 -15.973 7.675 -8.507 389 HD21 LEU 49 3HD2 LEU 49 -14.239 7.087 -10.989 390 HD22 LEU 49 1HD2 LEU 49 -12.707 7.540 -10.220 391 HD23 LEU 49 2HD2 LEU 49 -13.914 6.599 -9.306 392 H GLY 50 H GLY 50 -12.799 12.746 -10.240 393 HA2 GLY 50 2HA GLY 50 -11.753 13.929 -8.532 394 HA3 GLY 50 3HA GLY 50 -13.042 13.475 -7.417 395 H MET 51 H MET 51 -11.290 13.118 -5.944 396 HA MET 51 HA MET 51 -9.200 11.305 -6.268 397 HB2 MET 51 2HB MET 51 -10.274 12.031 -3.546 398 HB3 MET 51 3HB MET 51 -8.613 11.793 -4.075 399 HG2 MET 51 2HG MET 51 -9.146 13.953 -5.570 400 HG3 MET 51 3HG MET 51 -10.433 14.181 -4.389 401 HE1 MET 51 3HE MET 51 -5.896 14.446 -3.845 402 HE2 MET 51 1HE MET 51 -6.795 13.154 -4.688 403 HE3 MET 51 2HE MET 51 -6.806 14.800 -5.334 404 H ILE 52 H ILE 52 -8.991 9.149 -5.998 405 HA ILE 52 HA ILE 52 -11.190 7.716 -4.590 406 HB ILE 52 HB ILE 52 -10.707 5.770 -6.047 407 HG12 ILE 52 2HG1 ILE 52 -9.323 7.666 -7.981 408 HG13 ILE 52 3HG1 ILE 52 -8.405 6.698 -6.825 409 HG21 ILE 52 1HG2 ILE 52 -12.627 7.256 -6.347 410 HG22 ILE 52 2HG2 ILE 52 -11.707 8.227 -7.531 411 HG23 ILE 52 3HG2 ILE 52 -12.092 6.524 -7.866 412 HD11 ILE 52 3HD1 ILE 52 -8.520 5.520 -8.928 413 HD12 ILE 52 1HD1 ILE 52 -9.420 4.631 -7.679 414 HD13 ILE 52 2HD1 ILE 52 -10.292 5.569 -8.921 415 H ASP 53 H ASP 53 -10.676 5.734 -3.681 416 HA ASP 53 HA ASP 53 -7.996 5.665 -2.354 417 HB2 ASP 53 2HB ASP 53 -10.578 4.156 -1.772 418 HB3 ASP 53 3HB ASP 53 -9.053 3.923 -0.918 419 H ARG 54 H ARG 54 -6.864 5.085 -4.198 420 HA ARG 54 HA ARG 54 -7.613 2.818 -5.889 421 HB2 ARG 54 2HB ARG 54 -6.301 5.213 -6.233 422 HB3 ARG 54 3HB ARG 54 -4.920 4.125 -6.106 423 HG2 ARG 54 2HG ARG 54 -5.575 2.903 -8.018 424 HG3 ARG 54 3HG ARG 54 -7.213 3.602 -8.023 425 HD2 ARG 54 2HD ARG 54 -6.191 5.855 -8.425 426 HD3 ARG 54 3HD ARG 54 -4.610 5.077 -8.555 427 HE ARG 54 HE ARG 54 -6.800 5.059 -10.517 428 HH11 ARG 54 1HH2 ARG 54 -3.690 3.529 -9.777 429 HH12 ARG 54 2HH2 ARG 54 -3.532 2.995 -11.428 430 HH21 ARG 54 1HH1 ARG 54 -6.509 4.480 -12.424 431 HH22 ARG 54 2HH1 ARG 54 -5.106 3.549 -12.960 432 H TRP 55 H TRP 55 -7.113 0.718 -5.377 433 HA TRP 55 HA TRP 55 -5.151 0.197 -3.249 434 HB2 TRP 55 2HB TRP 55 -7.241 -1.559 -4.547 435 HB3 TRP 55 3HB TRP 55 -6.097 -2.126 -3.340 436 HD1 TRP 55 HD1 TRP 55 -9.270 -0.104 -3.675 437 HE1 TRP 55 HE1 TRP 55 -10.181 0.534 -1.370 438 HE3 TRP 55 HE3 TRP 55 -5.338 -1.663 -0.784 439 HZ2 TRP 55 HZ2 TRP 55 -9.282 0.479 1.375 440 HZ3 TRP 55 HZ3 TRP 55 -5.348 -1.246 1.669 441 HH2 TRP 55 HH2 TRP 55 -7.317 -0.215 2.762 442 H TYR 56 H TYR 56 -3.566 -1.390 -3.299 443 HA TYR 56 HA TYR 56 -2.444 -2.397 -5.841 444 HB2 TYR 56 2HB TYR 56 -0.984 -0.704 -3.765 445 HB3 TYR 56 3HB TYR 56 -0.245 -1.459 -5.173 446 HD1 TYR 56 HD2 TYR 56 -0.887 -0.706 -7.470 447 HD2 TYR 56 HD1 TYR 56 -2.108 1.422 -3.938 448 HE1 TYR 56 HE2 TYR 56 -1.547 1.275 -8.881 449 HE2 TYR 56 HE1 TYR 56 -2.782 3.360 -5.334 450 HH TYR 56 HH TYR 56 -2.927 4.213 -7.430 451 H HIS 57 H HIS 57 -0.921 -4.021 -5.583 452 HA HIS 57 HA HIS 57 -0.922 -5.752 -3.217 453 HB2 HIS 57 2HB HIS 57 0.800 -5.723 -5.704 454 HB3 HIS 57 3HB HIS 57 1.005 -6.901 -4.447 455 HD2 HIS 57 HD2 HIS 57 -1.430 -8.327 -3.807 456 HE1 HIS 57 HE1 HIS 57 -2.683 -8.335 -7.868 457 HE2 HIS 57 HE2 HIS 57 -2.991 -9.439 -5.624 458 HA PRO 58 HA PRO 58 2.673 -4.040 -1.034 459 HB2 PRO 58 2HB PRO 58 4.027 -6.296 -0.221 460 HB3 PRO 58 3HB PRO 58 2.529 -5.675 0.535 461 HG2 PRO 58 2HG PRO 58 2.783 -7.828 -1.594 462 HG3 PRO 58 3HG PRO 58 1.858 -7.898 -0.057 463 HD2 PRO 58 2HD PRO 58 0.602 -7.294 -2.335 464 HD3 PRO 58 3HD PRO 58 0.238 -6.351 -0.869 465 H GLY 59 H GLY 59 3.233 -6.212 -3.753 466 HA2 GLY 59 2HA GLY 59 6.024 -5.301 -4.143 467 HA3 GLY 59 3HA GLY 59 5.070 -6.317 -5.227 468 H CYS 60 HN CYS 60 2.828 -4.809 -5.752 469 HA CYS 60 HA CYS 60 3.845 -3.183 -7.758 470 HB2 CYS 60 2HB CYS 60 0.990 -3.352 -6.759 471 HB3 CYS 60 3HB CYS 60 1.501 -2.804 -8.362 472 H PHE 61 H PHE 61 2.360 -2.176 -4.647 473 HA PHE 61 HA PHE 61 2.193 0.582 -5.346 474 HB2 PHE 61 2HB PHE 61 1.453 0.921 -3.276 475 HB3 PHE 61 3HB PHE 61 1.334 -0.832 -3.239 476 HD1 PHE 61 HD2 PHE 61 3.166 -2.167 -2.196 477 HD2 PHE 61 HD1 PHE 61 3.041 2.107 -1.918 478 HE1 PHE 61 HE2 PHE 61 4.617 -2.270 -0.153 479 HE2 PHE 61 HE1 PHE 61 4.499 2.030 0.116 480 HZ PHE 61 HZ PHE 61 5.268 -0.165 1.005 481 H VAL 62 H VAL 62 4.955 -1.294 -4.102 482 HA VAL 62 HA VAL 62 6.796 0.948 -3.990 483 HB VAL 62 HB VAL 62 7.482 -1.985 -4.377 484 HG11 VAL 62 1HG1 VAL 62 9.130 0.374 -3.358 485 HG12 VAL 62 2HG1 VAL 62 9.647 -1.322 -3.352 486 HG13 VAL 62 3HG1 VAL 62 9.384 -0.502 -4.884 487 HG21 VAL 62 3HG2 VAL 62 7.132 -0.340 -1.833 488 HG22 VAL 62 1HG2 VAL 62 6.197 -1.764 -2.335 489 HG23 VAL 62 2HG2 VAL 62 7.888 -1.948 -1.902 490 H LYS 63 H LYS 63 5.928 -1.356 -6.553 491 HA LYS 63 HA LYS 63 7.882 -0.555 -8.477 492 HB2 LYS 63 2HB LYS 63 6.661 -2.684 -8.444 493 HB3 LYS 63 3HB LYS 63 5.152 -1.820 -8.721 494 HG2 LYS 63 2HG LYS 63 5.803 -1.242 -10.995 495 HG3 LYS 63 3HG LYS 63 7.408 -1.954 -10.736 496 HD2 LYS 63 2HD LYS 63 5.998 -3.550 -11.951 497 HD3 LYS 63 3HD LYS 63 6.381 -4.163 -10.344 498 HE2 LYS 63 2HE LYS 63 4.010 -2.923 -9.789 499 HE3 LYS 63 3HE LYS 63 3.740 -3.248 -11.490 500 HZ1 LYS 63 3HZ LYS 63 3.041 -5.016 -9.804 501 HZ2 LYS 63 1HZ LYS 63 3.956 -5.581 -11.062 502 HZ3 LYS 63 2HZ LYS 63 4.600 -5.351 -9.574 503 H ASN 64 H ASN 64 4.664 0.805 -7.800 504 HA ASN 64 HA ASN 64 5.217 2.990 -9.753 505 HB2 ASN 64 2HB ASN 64 2.630 3.397 -9.348 506 HB3 ASN 64 3HB ASN 64 3.306 2.428 -10.632 507 HD21 ASN 64 1HD2 ASN 64 1.781 2.136 -7.367 508 HD22 ASN 64 2HD2 ASN 64 1.079 0.577 -7.805 509 H ARG 65 H ARG 65 6.112 2.622 -6.746 510 HA ARG 65 HA ARG 65 4.966 4.546 -5.169 511 HB2 ARG 65 2HB ARG 65 7.019 4.587 -3.932 512 HB3 ARG 65 3HB ARG 65 6.868 2.985 -4.609 513 HG2 ARG 65 2HG ARG 65 8.381 3.786 -6.535 514 HG3 ARG 65 3HG ARG 65 8.652 5.260 -5.590 515 HD2 ARG 65 2HD ARG 65 9.625 4.022 -3.790 516 HD3 ARG 65 3HD ARG 65 9.238 2.469 -4.549 517 HE ARG 65 HE ARG 65 11.477 4.237 -5.146 518 HH11 ARG 65 1HH2 ARG 65 9.504 1.701 -6.601 519 HH12 ARG 65 2HH2 ARG 65 10.781 1.255 -7.705 520 HH21 ARG 65 1HH1 ARG 65 13.019 3.609 -6.602 521 HH22 ARG 65 2HH1 ARG 65 12.696 2.312 -7.713 522 H GLU 66 H GLU 66 7.175 5.169 -7.819 523 HA GLU 66 HA GLU 66 7.488 7.992 -7.230 524 HB2 GLU 66 2HB GLU 66 8.825 8.013 -9.297 525 HB3 GLU 66 3HB GLU 66 9.330 6.785 -8.129 526 HG2 GLU 66 2HG GLU 66 8.260 5.014 -9.422 527 HG3 GLU 66 3HG GLU 66 7.591 6.190 -10.559 528 H GLU 67 H GLU 67 5.219 6.120 -9.076 529 HA GLU 67 HA GLU 67 4.004 8.448 -10.398 530 HB2 GLU 67 2HB GLU 67 3.996 6.209 -11.454 531 HB3 GLU 67 3HB GLU 67 2.982 5.605 -10.138 532 HG2 GLU 67 2HG GLU 67 1.188 7.150 -10.746 533 HG3 GLU 67 3HG GLU 67 2.221 7.934 -11.946 534 H LEU 68 H LEU 68 3.451 6.323 -7.559 535 HA LEU 68 HA LEU 68 1.161 7.800 -6.563 536 HB2 LEU 68 2HB LEU 68 3.051 5.908 -5.124 537 HB3 LEU 68 3HB LEU 68 1.482 6.443 -4.535 538 HG LEU 68 HG LEU 68 1.994 4.663 -6.955 539 HD11 LEU 68 1HD1 LEU 68 0.729 4.109 -4.249 540 HD12 LEU 68 2HD1 LEU 68 0.818 2.964 -5.596 541 HD13 LEU 68 3HD1 LEU 68 2.310 3.527 -4.817 542 HD21 LEU 68 3HD2 LEU 68 -0.358 4.390 -7.181 543 HD22 LEU 68 1HD2 LEU 68 -0.687 5.484 -5.822 544 HD23 LEU 68 2HD2 LEU 68 0.005 6.101 -7.345 545 H GLY 69 H GLY 69 4.549 8.516 -6.390 546 HA2 GLY 69 2HA GLY 69 5.277 10.719 -5.991 547 HA3 GLY 69 3HA GLY 69 3.819 11.068 -5.066 548 H PHE 70 H PHE 70 5.653 8.184 -4.266 549 HA PHE 70 HA PHE 70 6.167 8.979 -1.547 550 HB2 PHE 70 2HB PHE 70 7.089 6.722 -3.338 551 HB3 PHE 70 3HB PHE 70 7.784 6.936 -1.751 552 HD1 PHE 70 HD1 PHE 70 4.584 6.144 -3.506 553 HD2 PHE 70 HD2 PHE 70 6.633 6.426 0.250 554 HE1 PHE 70 HE1 PHE 70 2.821 4.752 -2.445 555 HE2 PHE 70 HE2 PHE 70 4.906 5.012 1.323 556 HZ PHE 70 HZ PHE 70 2.989 4.165 -0.037 557 H ARG 71 H ARG 71 7.886 9.842 -0.567 558 HA ARG 71 HA ARG 71 10.540 10.024 -1.869 559 HB2 ARG 71 2HB ARG 71 9.147 12.278 -0.348 560 HB3 ARG 71 3HB ARG 71 10.821 12.308 -0.894 561 HG2 ARG 71 2HG ARG 71 10.111 12.188 -3.247 562 HG3 ARG 71 3HG ARG 71 8.407 12.106 -2.750 563 HD2 ARG 71 2HD ARG 71 8.598 14.287 -1.645 564 HD3 ARG 71 3HD ARG 71 10.291 14.399 -2.123 565 HE ARG 71 HE ARG 71 9.688 14.870 -4.326 566 HH11 ARG 71 1HH2 ARG 71 6.723 14.137 -2.570 567 HH12 ARG 71 2HH2 ARG 71 5.729 14.565 -3.934 568 HH21 ARG 71 1HH1 ARG 71 8.341 15.452 -5.977 569 HH22 ARG 71 2HH1 ARG 71 6.618 15.333 -5.783 570 HA PRO 72 HA PRO 72 12.069 8.197 1.719 571 HB2 PRO 72 2HB PRO 72 14.064 10.428 2.104 572 HB3 PRO 72 3HB PRO 72 14.333 8.657 2.114 573 HG2 PRO 72 2HG PRO 72 14.929 10.081 -0.104 574 HG3 PRO 72 3HG PRO 72 14.040 8.530 -0.270 575 HD2 PRO 72 2HD PRO 72 12.922 11.349 -0.287 576 HD3 PRO 72 3HD PRO 72 12.570 9.987 -1.388 577 H GLU 73 H GLU 73 11.450 11.667 2.335 578 HA GLU 73 HA GLU 73 11.346 11.437 5.209 579 HB2 GLU 73 2HB GLU 73 10.324 13.640 5.152 580 HB3 GLU 73 3HB GLU 73 11.732 13.563 4.097 581 HG2 GLU 73 2HG GLU 73 10.289 13.382 2.108 582 HG3 GLU 73 3HG GLU 73 8.855 13.317 3.131 583 H TYR 74 H TYR 74 9.252 10.096 2.955 584 HA TYR 74 HA TYR 74 7.387 9.321 5.018 585 HB2 TYR 74 2HB TYR 74 5.339 10.061 3.700 586 HB3 TYR 74 3HB TYR 74 6.194 11.219 4.668 587 HD1 TYR 74 HD2 TYR 74 6.553 10.069 1.056 588 HD2 TYR 74 HD1 TYR 74 6.092 13.328 3.834 589 HE1 TYR 74 HE2 TYR 74 6.530 11.694 -0.838 590 HE2 TYR 74 HE1 TYR 74 6.086 14.943 1.946 591 HH TYR 74 HH TYR 74 6.159 15.210 -0.312 592 H SER 75 H SER 75 9.091 7.658 3.871 593 HA SER 75 HA SER 75 7.928 6.066 1.767 594 HB2 SER 75 2HB SER 75 9.916 5.279 3.876 595 HB3 SER 75 3HB SER 75 9.570 4.437 2.353 596 HG SER 75 HG SER 75 11.392 5.771 2.139 597 H ALA 76 H ALA 76 7.924 3.427 2.845 598 HA ALA 76 HA ALA 76 5.216 3.157 3.256 599 HB1 ALA 76 1HB ALA 76 6.773 1.409 2.461 600 HB2 ALA 76 2HB ALA 76 7.417 1.231 4.111 601 HB3 ALA 76 3HB ALA 76 5.721 0.824 3.764 602 H SER 77 H SER 77 7.455 3.867 5.901 603 HA SER 77 HA SER 77 5.817 2.938 8.056 604 HB2 SER 77 2HB SER 77 7.751 5.285 8.039 605 HB3 SER 77 3HB SER 77 7.194 4.369 9.452 606 HG SER 77 HG SER 77 9.265 3.681 8.744 607 H GLN 78 H GLN 78 5.483 5.694 5.921 608 HA GLN 78 HA GLN 78 3.614 7.068 7.680 609 HB2 GLN 78 2HB GLN 78 5.228 7.846 5.261 610 HB3 GLN 78 3HB GLN 78 3.779 8.752 5.627 611 HG2 GLN 78 2HG GLN 78 5.737 9.841 6.590 612 HG3 GLN 78 3HG GLN 78 4.565 9.392 7.803 613 HE21 GLN 78 2HE2 GLN 78 5.202 7.983 9.477 614 HE22 GLN 78 1HE2 GLN 78 6.861 7.388 9.609 615 H LEU 79 H LEU 79 2.997 4.457 6.247 616 HA LEU 79 HA LEU 79 0.500 5.247 4.827 617 HB2 LEU 79 2HB LEU 79 1.762 2.572 5.532 618 HB3 LEU 79 3HB LEU 79 0.193 2.734 4.764 619 HG LEU 79 HG LEU 79 2.626 3.928 3.416 620 HD11 LEU 79 1HD1 LEU 79 3.265 1.564 3.919 621 HD12 LEU 79 2HD1 LEU 79 1.775 1.011 3.166 622 HD13 LEU 79 3HD1 LEU 79 3.004 1.839 2.192 623 HD21 LEU 79 3HD2 LEU 79 0.227 4.230 2.636 624 HD22 LEU 79 1HD2 LEU 79 1.344 3.576 1.428 625 HD23 LEU 79 2HD2 LEU 79 0.197 2.507 2.259 626 H LYS 80 H LYS 80 -1.451 5.315 5.813 627 HA LYS 80 HA LYS 80 -1.845 5.169 8.607 628 HB2 LYS 80 2HB LYS 80 -3.965 4.545 6.503 629 HB3 LYS 80 3HB LYS 80 -4.244 4.982 8.189 630 HG2 LYS 80 2HG LYS 80 -3.041 7.159 7.719 631 HG3 LYS 80 3HG LYS 80 -3.098 6.733 5.996 632 HD2 LYS 80 2HD LYS 80 -5.489 7.103 7.865 633 HD3 LYS 80 3HD LYS 80 -4.899 8.299 6.704 634 HE2 LYS 80 2HE LYS 80 -5.390 6.754 4.833 635 HE3 LYS 80 3HE LYS 80 -5.975 5.537 5.981 636 HZ1 LYS 80 3HZ LYS 80 -7.721 7.102 6.649 637 HZ2 LYS 80 1HZ LYS 80 -7.182 8.227 5.594 638 HZ3 LYS 80 2HZ LYS 80 -7.810 6.826 5.044 639 H GLY 81 H GLY 81 -2.105 3.565 10.045 640 HA2 GLY 81 2HA GLY 81 -2.541 1.473 10.943 641 HA3 GLY 81 3HA GLY 81 -3.262 1.000 9.407 642 H PHE 82 H PHE 82 0.011 1.989 8.890 643 HA PHE 82 HA PHE 82 0.909 -0.526 8.038 644 HB2 PHE 82 2HB PHE 82 2.097 1.307 7.262 645 HB3 PHE 82 3HB PHE 82 2.217 2.064 8.842 646 HD1 PHE 82 HD1 PHE 82 3.784 -0.443 6.575 647 HD2 PHE 82 HD2 PHE 82 3.946 1.533 10.410 648 HE1 PHE 82 HE1 PHE 82 6.098 -1.265 6.910 649 HE2 PHE 82 HE2 PHE 82 6.257 0.687 10.745 650 HZ PHE 82 HZ PHE 82 7.325 -0.724 8.999 651 H SER 83 H SER 83 1.337 0.981 11.287 652 HA SER 83 HA SER 83 2.938 -1.147 12.297 653 HB2 SER 83 2HB SER 83 2.726 1.205 13.224 654 HB3 SER 83 3HB SER 83 1.238 0.646 14.026 655 HG SER 83 HG SER 83 3.141 0.412 15.340 656 H LEU 84 H LEU 84 -0.449 -1.125 11.708 657 HA LEU 84 HA LEU 84 -1.118 -3.192 13.704 658 HB2 LEU 84 2HB LEU 84 -2.830 -2.056 11.468 659 HB3 LEU 84 3HB LEU 84 -3.371 -3.001 12.847 660 HG LEU 84 HG LEU 84 -2.235 -0.177 12.953 661 HD11 LEU 84 1HD1 LEU 84 -4.498 -0.324 11.998 662 HD12 LEU 84 2HD1 LEU 84 -5.050 -1.219 13.431 663 HD13 LEU 84 3HD1 LEU 84 -4.508 0.467 13.582 664 HD21 LEU 84 3HD2 LEU 84 -3.347 -1.921 15.194 665 HD22 LEU 84 1HD2 LEU 84 -1.666 -1.364 15.031 666 HD23 LEU 84 2HD2 LEU 84 -2.953 -0.192 15.330 667 H LEU 85 H LEU 85 0.386 -3.245 10.683 668 HA LEU 85 HA LEU 85 -0.711 -5.752 9.644 669 HB2 LEU 85 2HB LEU 85 1.922 -4.335 9.121 670 HB3 LEU 85 3HB LEU 85 1.286 -5.666 8.168 671 HG LEU 85 HG LEU 85 -0.049 -2.939 8.401 672 HD11 LEU 85 1HD1 LEU 85 1.750 -4.159 6.267 673 HD12 LEU 85 2HD1 LEU 85 0.852 -2.634 6.091 674 HD13 LEU 85 3HD1 LEU 85 2.130 -2.774 7.305 675 HD21 LEU 85 3HD2 LEU 85 -0.597 -5.277 6.566 676 HD22 LEU 85 1HD2 LEU 85 -1.664 -4.649 7.851 677 HD23 LEU 85 2HD2 LEU 85 -1.321 -3.656 6.431 678 H ALA 86 H ALA 86 0.948 -7.619 9.258 679 HA ALA 86 HA ALA 86 1.892 -8.615 11.836 680 HB1 ALA 86 1HB ALA 86 2.326 -9.679 9.015 681 HB2 ALA 86 2HB ALA 86 2.630 -10.553 10.530 682 HB3 ALA 86 3HB ALA 86 0.970 -10.106 10.084 683 H THR 87 H THR 87 4.056 -8.844 12.536 684 HA THR 87 HA THR 87 5.861 -6.811 12.057 685 HB THR 87 HB THR 87 6.647 -9.612 12.908 686 HG1 THR 87 1HG THR 87 6.047 -8.934 14.975 687 HG21 THR 87 1HG2 THR 87 8.239 -8.398 14.393 688 HG22 THR 87 2HG2 THR 87 8.563 -8.060 12.688 689 HG23 THR 87 3HG2 THR 87 7.716 -6.853 13.682 690 H GLU 88 H GLU 88 5.837 -9.995 10.419 691 HA GLU 88 HA GLU 88 8.251 -9.593 8.933 692 HB2 GLU 88 2HB GLU 88 7.531 -11.466 7.585 693 HB3 GLU 88 3HB GLU 88 7.280 -11.789 9.298 694 HG2 GLU 88 2HG GLU 88 4.839 -11.228 9.004 695 HG3 GLU 88 3HG GLU 88 5.127 -11.031 7.274 696 H ASP 89 H ASP 89 4.961 -8.434 8.312 697 HA ASP 89 HA ASP 89 5.620 -7.523 5.575 698 HB2 ASP 89 2HB ASP 89 3.218 -6.938 7.339 699 HB3 ASP 89 3HB ASP 89 3.426 -6.386 5.683 700 H LYS 90 H LYS 90 5.234 -6.109 8.845 701 HA LYS 90 HA LYS 90 5.746 -3.385 8.181 702 HB2 LYS 90 2HB LYS 90 6.368 -4.986 10.701 703 HB3 LYS 90 3HB LYS 90 6.558 -3.230 10.580 704 HG2 LYS 90 2HG LYS 90 4.225 -2.897 10.152 705 HG3 LYS 90 3HG LYS 90 3.939 -4.620 9.924 706 HD2 LYS 90 2HD LYS 90 3.031 -3.903 12.020 707 HD3 LYS 90 3HD LYS 90 4.321 -5.076 12.287 708 HE2 LYS 90 2HE LYS 90 5.869 -3.318 12.949 709 HE3 LYS 90 3HE LYS 90 4.719 -2.066 12.451 710 HZ1 LYS 90 3HZ LYS 90 4.585 -2.329 14.823 711 HZ2 LYS 90 1HZ LYS 90 3.197 -2.901 14.199 712 HZ3 LYS 90 2HZ LYS 90 4.346 -3.949 14.721 713 H GLU 91 H GLU 91 8.052 -6.011 8.890 714 HA GLU 91 HA GLU 91 10.411 -4.398 8.373 715 HB2 GLU 91 2HB GLU 91 9.928 -7.401 8.387 716 HB3 GLU 91 3HB GLU 91 11.510 -6.669 8.128 717 HG2 GLU 91 2HG GLU 91 9.801 -6.272 10.624 718 HG3 GLU 91 3HG GLU 91 11.134 -7.407 10.475 719 H ALA 92 H ALA 92 8.606 -6.738 6.251 720 HA ALA 92 HA ALA 92 10.370 -6.435 4.066 721 HB1 ALA 92 1HB ALA 92 7.439 -7.217 4.100 722 HB2 ALA 92 2HB ALA 92 8.586 -7.511 2.770 723 HB3 ALA 92 3HB ALA 92 8.834 -8.302 4.339 724 H LEU 93 H LEU 93 7.398 -4.506 4.769 725 HA LEU 93 HA LEU 93 7.408 -3.050 2.302 726 HB2 LEU 93 2HB LEU 93 6.137 -2.781 5.028 727 HB3 LEU 93 3HB LEU 93 6.136 -1.395 3.958 728 HG LEU 93 HG LEU 93 4.990 -2.575 2.223 729 HD11 LEU 93 1HD1 LEU 93 4.791 -5.016 4.006 730 HD12 LEU 93 2HD1 LEU 93 3.993 -4.775 2.447 731 HD13 LEU 93 3HD1 LEU 93 5.751 -4.902 2.512 732 HD21 LEU 93 3HD2 LEU 93 3.676 -2.927 4.946 733 HD22 LEU 93 1HD2 LEU 93 3.648 -1.461 3.938 734 HD23 LEU 93 2HD2 LEU 93 2.816 -2.933 3.395 735 H LYS 94 H LYS 94 8.983 -2.370 5.471 736 HA LYS 94 HA LYS 94 10.254 0.094 4.589 737 HB2 LYS 94 2HB LYS 94 10.980 -1.913 6.755 738 HB3 LYS 94 3HB LYS 94 11.856 -0.405 6.481 739 HG2 LYS 94 2HG LYS 94 9.816 0.909 6.924 740 HG3 LYS 94 3HG LYS 94 8.907 -0.571 7.229 741 HD2 LYS 94 2HD LYS 94 11.328 0.404 8.817 742 HD3 LYS 94 3HD LYS 94 9.639 0.527 9.334 743 HE2 LYS 94 2HE LYS 94 9.429 -1.925 9.364 744 HE3 LYS 94 3HE LYS 94 11.069 -2.105 8.745 745 HZ1 LYS 94 3HZ LYS 94 10.347 -1.026 11.403 746 HZ2 LYS 94 1HZ LYS 94 11.081 -2.462 11.061 747 HZ3 LYS 94 2HZ LYS 94 11.875 -1.056 10.803 748 H LYS 95 H LYS 95 11.350 -3.324 4.635 749 HA LYS 95 HA LYS 95 13.950 -2.799 3.657 750 HB2 LYS 95 2HB LYS 95 12.213 -5.278 3.574 751 HB3 LYS 95 3HB LYS 95 13.848 -5.280 2.907 752 HG2 LYS 95 2HG LYS 95 14.844 -4.700 5.011 753 HG3 LYS 95 3HG LYS 95 13.277 -4.410 5.770 754 HD2 LYS 95 2HD LYS 95 12.675 -6.806 5.434 755 HD3 LYS 95 3HD LYS 95 14.277 -7.113 4.753 756 HE2 LYS 95 2HE LYS 95 13.737 -6.041 7.566 757 HE3 LYS 95 3HE LYS 95 13.991 -7.744 7.183 758 HZ1 LYS 95 3HZ LYS 95 16.043 -6.720 7.928 759 HZ2 LYS 95 1HZ LYS 95 16.217 -7.172 6.371 760 HZ3 LYS 95 2HZ LYS 95 15.995 -5.595 6.751 761 H GLN 96 H GLN 96 11.002 -2.956 1.838 762 HA GLN 96 HA GLN 96 12.415 -2.880 -0.782 763 HB2 GLN 96 2HB GLN 96 9.482 -3.026 0.001 764 HB3 GLN 96 3HB GLN 96 10.063 -2.913 -1.664 765 HG2 GLN 96 2HG GLN 96 11.188 -5.034 -1.546 766 HG3 GLN 96 3HG GLN 96 10.922 -5.166 0.193 767 HE21 GLN 96 2HE2 GLN 96 8.647 -5.287 0.955 768 HE22 GLN 96 1HE2 GLN 96 7.465 -6.088 -0.095 769 H LEU 97 H LEU 97 10.521 -0.777 1.391 770 HA LEU 97 HA LEU 97 11.369 1.604 -0.155 771 HB2 LEU 97 2HB LEU 97 9.210 0.860 -1.003 772 HB3 LEU 97 3HB LEU 97 8.511 0.879 0.609 773 HG LEU 97 HG LEU 97 8.504 3.267 0.694 774 HD11 LEU 97 1HD1 LEU 97 10.277 3.199 -1.778 775 HD12 LEU 97 2HD1 LEU 97 9.456 4.663 -1.174 776 HD13 LEU 97 3HD1 LEU 97 10.680 3.867 -0.182 777 HD21 LEU 97 3HD2 LEU 97 7.826 2.406 -2.148 778 HD22 LEU 97 1HD2 LEU 97 6.783 2.213 -0.725 779 HD23 LEU 97 2HD2 LEU 97 7.196 3.834 -1.302 780 HA PRO 98 HA PRO 98 11.796 2.235 4.385 781 HB2 PRO 98 2HB PRO 98 14.516 2.639 4.536 782 HB3 PRO 98 3HB PRO 98 13.727 1.043 4.564 783 HG2 PRO 98 2HG PRO 98 15.282 2.304 2.364 784 HG3 PRO 98 3HG PRO 98 14.898 0.576 2.653 785 HD2 PRO 98 2HD PRO 98 13.596 2.430 0.846 786 HD3 PRO 98 3HD PRO 98 13.255 0.701 1.120 787 H GLY 99 H GLY 99 12.082 4.224 5.602 788 HA2 GLY 99 2HA GLY 99 12.612 6.695 4.004 789 HA3 GLY 99 3HA GLY 99 11.284 6.531 5.142 790 H VAL 100 H VAL 100 12.354 8.526 5.738 791 HA VAL 100 HA VAL 100 14.712 8.228 7.550 792 HB VAL 100 HB VAL 100 13.813 10.827 6.311 793 HG11 VAL 100 1HG1 VAL 100 15.342 10.994 8.237 794 HG12 VAL 100 2HG1 VAL 100 16.479 9.879 7.441 795 HG13 VAL 100 3HG1 VAL 100 16.148 11.478 6.745 796 HG21 VAL 100 3HG2 VAL 100 15.823 8.848 5.162 797 HG22 VAL 100 1HG2 VAL 100 14.288 9.363 4.421 798 HG23 VAL 100 2HG2 VAL 100 15.598 10.527 4.614 799 H LYS 101 H LYS 101 14.258 8.190 9.583 800 HA LYS 101 HA LYS 101 12.899 10.505 10.735 801 HB2 LYS 101 2HB LYS 101 11.370 8.186 10.475 802 HB3 LYS 101 3HB LYS 101 11.966 8.047 12.125 803 HG2 LYS 101 2HG LYS 101 11.235 10.516 12.411 804 HG3 LYS 101 3HG LYS 101 10.443 10.341 10.830 805 HD2 LYS 101 2HD LYS 101 9.188 8.342 11.815 806 HD3 LYS 101 3HD LYS 101 9.863 8.771 13.388 807 HE2 LYS 101 2HE LYS 101 7.960 10.417 11.665 808 HE3 LYS 101 3HE LYS 101 7.595 9.608 13.191 809 HZ1 LYS 101 3HZ LYS 101 9.305 11.995 12.795 810 HZ2 LYS 101 1HZ LYS 101 7.943 11.886 13.681 811 HZ3 LYS 101 2HZ LYS 101 9.312 11.164 14.214 812 H SER 102 H SER 102 15.622 9.730 10.578 813 HA SER 102 HA SER 102 16.608 8.226 12.743 814 HB2 SER 102 2HB SER 102 18.805 9.272 12.146 815 HB3 SER 102 3HB SER 102 17.917 8.583 10.776 816 HG SER 102 HG SER 102 18.767 10.689 10.329 817 H GLU 103 H GLU 103 15.812 11.652 12.730 818 HA GLU 103 HA GLU 103 17.113 12.218 15.303 819 HB2 GLU 103 2HB GLU 103 15.130 13.819 13.645 820 HB3 GLU 103 3HB GLU 103 16.017 14.428 15.041 821 HG2 GLU 103 2HG GLU 103 18.151 14.138 13.902 822 HG3 GLU 103 3HG GLU 103 17.354 13.420 12.497 823 H GLY 104 H GLY 104 14.263 10.567 14.568 824 HA2 GLY 104 2HA GLY 104 12.418 9.924 15.785 825 HA3 GLY 104 3HA GLY 104 13.034 10.805 17.188 826 H LYS 105 H LYS 105 13.166 13.375 16.330 827 HA LYS 105 HA LYS 105 10.346 14.219 16.149 828 HB2 LYS 105 2HB LYS 105 12.926 15.787 16.562 829 HB3 LYS 105 3HB LYS 105 11.298 16.475 16.614 830 HG2 LYS 105 2HG LYS 105 10.708 14.955 18.495 831 HG3 LYS 105 3HG LYS 105 12.366 14.323 18.493 832 HD2 LYS 105 2HD LYS 105 13.241 16.594 18.969 833 HD3 LYS 105 3HD LYS 105 11.580 17.230 18.980 834 HE2 LYS 105 2HE LYS 105 11.010 15.692 20.849 835 HE3 LYS 105 3HE LYS 105 12.662 15.062 20.839 836 HZ1 LYS 105 3HZ LYS 105 12.379 16.777 22.534 837 HZ2 LYS 105 1HZ LYS 105 13.446 17.299 21.417 838 HZ3 LYS 105 2HZ LYS 105 11.919 17.881 21.426 839 H ARG 106 H ARG 106 12.583 13.525 13.807 840 HA ARG 106 HA ARG 106 12.296 15.561 11.860 841 HB2 ARG 106 2HB ARG 106 13.937 13.796 11.665 842 HB3 ARG 106 3HB ARG 106 12.695 12.559 11.622 843 HG2 ARG 106 2HG ARG 106 13.776 12.984 9.435 844 HG3 ARG 106 3HG ARG 106 12.030 13.154 9.401 845 HD2 ARG 106 2HD ARG 106 13.233 14.842 8.044 846 HD3 ARG 106 3HD ARG 106 12.170 15.553 9.255 847 HE ARG 106 HE ARG 106 14.770 15.398 10.418 848 HH11 ARG 106 1HH2 ARG 106 13.284 17.188 7.772 849 HH12 ARG 106 2HH2 ARG 106 14.381 18.523 7.988 850 HH21 ARG 106 1HH1 ARG 106 16.027 17.024 10.633 851 HH22 ARG 106 2HH1 ARG 106 15.946 18.450 9.591 852 H LYS 107 H LYS 107 10.646 16.270 10.762 853 HA LYS 107 HA LYS 107 8.568 16.740 10.121 854 HB2 LYS 107 2HB LYS 107 9.261 14.668 8.632 855 HB3 LYS 107 3HB LYS 107 7.910 13.882 9.459 856 HG2 LYS 107 2HG LYS 107 6.432 15.793 8.722 857 HG3 LYS 107 3HG LYS 107 7.834 16.513 7.913 858 HD2 LYS 107 2HD LYS 107 7.990 14.514 6.424 859 HD3 LYS 107 3HD LYS 107 6.596 13.811 7.258 860 HE2 LYS 107 2HE LYS 107 5.722 14.787 5.280 861 HE3 LYS 107 3HE LYS 107 5.250 15.856 6.600 862 HZ1 LYS 107 3HZ LYS 107 7.044 17.371 5.954 863 HZ2 LYS 107 1HZ LYS 107 7.589 16.320 4.806 864 HZ3 LYS 107 2HZ LYS 107 6.138 17.055 4.641 865 H GLY 108 H GLY 108 8.923 15.939 12.985 866 HA2 GLY 108 2HA GLY 108 6.213 15.150 13.845 867 HA3 GLY 108 3HA GLY 108 7.584 15.603 14.857 868 H ASP 109 H ASP 109 8.123 18.131 13.515 869 HA ASP 109 HA ASP 109 6.168 19.791 14.928 870 HB2 ASP 109 2HB ASP 109 8.673 19.943 15.155 871 HB3 ASP 109 3HB ASP 109 8.738 20.561 13.506 872 H GLU 110 H GLU 110 5.999 18.616 11.919 873 HA GLU 110 HA GLU 110 4.381 20.870 10.906 874 HB2 GLU 110 2HB GLU 110 5.305 20.640 8.644 875 HB3 GLU 110 3HB GLU 110 6.524 21.182 9.794 876 HG2 GLU 110 2HG GLU 110 7.516 18.939 9.881 877 HG3 GLU 110 3HG GLU 110 6.214 18.289 8.885 878 H VAL 111 H VAL 111 2.961 20.171 9.067 879 HA VAL 111 HA VAL 111 1.146 18.952 8.468 880 HB VAL 111 HB VAL 111 2.960 16.517 8.484 881 HG11 VAL 111 1HG1 VAL 111 0.511 17.253 6.809 882 HG12 VAL 111 2HG1 VAL 111 1.495 15.784 6.633 883 HG13 VAL 111 3HG1 VAL 111 0.546 16.032 8.098 884 HG21 VAL 111 3HG2 VAL 111 3.383 17.103 6.089 885 HG22 VAL 111 1HG2 VAL 111 2.590 18.669 6.355 886 HG23 VAL 111 2HG2 VAL 111 4.096 18.266 7.210 887 H ASP 112 H ASP 112 0.366 19.579 10.587 888 HA ASP 112 HA ASP 112 -0.590 17.279 12.195 889 HB2 ASP 112 2HB ASP 112 1.458 18.050 13.314 890 HB3 ASP 112 3HB ASP 112 0.851 19.701 13.341 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 9.363 12.877 24.689 2 H2 GLY 1 H2 GLY 1 10.282 14.208 24.443 3 H3 GLY 1 H3 GLY 1 10.996 12.770 24.770 4 HA2 GLY 1 2HA GLY 1 11.224 13.267 22.433 5 HA3 GLY 1 3HA GLY 1 10.213 11.835 22.697 6 H SER 2 H SER 2 9.366 12.283 20.547 7 HA SER 2 HA SER 2 6.950 13.970 20.635 8 HB2 SER 2 2HB SER 2 8.768 15.435 19.714 9 HB3 SER 2 3HB SER 2 8.977 14.276 18.386 10 HG SER 2 HG SER 2 7.541 16.042 17.890 11 H LYS 3 H LYS 3 5.467 13.485 18.894 12 HA LYS 3 HA LYS 3 5.397 10.603 18.321 13 HB2 LYS 3 2HB LYS 3 3.504 11.766 19.333 14 HB3 LYS 3 3HB LYS 3 3.289 12.755 17.890 15 HG2 LYS 3 2HG LYS 3 2.530 10.942 16.593 16 HG3 LYS 3 3HG LYS 3 3.284 9.739 17.628 17 HD2 LYS 3 2HD LYS 3 0.929 11.460 18.487 18 HD3 LYS 3 3HD LYS 3 0.745 9.878 17.735 19 HE2 LYS 3 2HE LYS 3 2.284 10.364 20.329 20 HE3 LYS 3 3HE LYS 3 0.587 9.891 20.254 21 HZ1 LYS 3 3HZ LYS 3 2.842 8.253 19.174 22 HZ2 LYS 3 1HZ LYS 3 2.018 7.963 20.551 23 HZ3 LYS 3 2HZ LYS 3 1.257 7.850 19.115 24 H ALA 4 H ALA 4 7.355 10.986 16.941 25 HA ALA 4 HA ALA 4 6.809 11.755 14.163 26 HB1 ALA 4 1HB ALA 4 9.283 10.538 15.470 27 HB2 ALA 4 2HB ALA 4 9.191 11.182 13.816 28 HB3 ALA 4 3HB ALA 4 8.988 12.271 15.202 29 H GLU 5 H GLU 5 4.958 10.186 14.511 30 HA GLU 5 HA GLU 5 5.589 7.401 13.566 31 HB2 GLU 5 2HB GLU 5 3.752 8.431 15.753 32 HB3 GLU 5 3HB GLU 5 3.797 6.741 15.215 33 HG2 GLU 5 2HG GLU 5 6.214 6.646 15.899 34 HG3 GLU 5 3HG GLU 5 6.044 8.264 16.594 35 H LYS 6 H LYS 6 4.110 10.130 12.561 36 HA LYS 6 HA LYS 6 1.376 9.144 12.125 37 HB2 LYS 6 2HB LYS 6 2.677 11.849 11.627 38 HB3 LYS 6 3HB LYS 6 0.965 11.493 11.379 39 HG2 LYS 6 2HG LYS 6 0.750 10.840 13.777 40 HG3 LYS 6 3HG LYS 6 2.428 11.307 14.055 41 HD2 LYS 6 2HD LYS 6 0.238 13.165 13.034 42 HD3 LYS 6 3HD LYS 6 0.718 13.045 14.721 43 HE2 LYS 6 2HE LYS 6 2.661 13.813 12.495 44 HE3 LYS 6 3HE LYS 6 1.676 14.991 13.358 45 HZ1 LYS 6 3HZ LYS 6 3.632 13.185 14.698 46 HZ2 LYS 6 1HZ LYS 6 3.879 14.765 14.355 47 HZ3 LYS 6 2HZ LYS 6 2.727 14.338 15.423 48 H THR 7 H THR 7 0.231 9.383 10.189 49 HA THR 7 HA THR 7 1.605 8.481 7.740 50 HB THR 7 HB THR 7 -1.284 9.251 8.195 51 HG1 THR 7 1HG THR 7 -0.642 7.522 9.520 52 HG21 THR 7 1HG2 THR 7 -0.242 8.783 5.696 53 HG22 THR 7 2HG2 THR 7 -0.645 7.160 6.176 54 HG23 THR 7 3HG2 THR 7 -1.882 8.438 6.177 55 H LEU 8 H LEU 8 1.739 9.698 5.800 56 HA LEU 8 HA LEU 8 1.816 12.590 6.077 57 HB2 LEU 8 2HB LEU 8 2.773 12.708 4.041 58 HB3 LEU 8 3HB LEU 8 3.236 11.086 4.515 59 HG LEU 8 HG LEU 8 0.998 11.863 2.580 60 HD11 LEU 8 1HD1 LEU 8 3.647 10.478 2.077 61 HD12 LEU 8 2HD1 LEU 8 2.404 10.859 0.871 62 HD13 LEU 8 3HD1 LEU 8 3.270 12.170 1.686 63 HD21 LEU 8 3HD2 LEU 8 1.964 9.133 3.489 64 HD22 LEU 8 1HD2 LEU 8 0.340 9.786 3.688 65 HD23 LEU 8 2HD2 LEU 8 0.925 9.405 2.071 66 H GLY 9 H GLY 9 -0.885 10.615 5.599 67 HA2 GLY 9 2HA GLY 9 -3.109 11.250 5.444 68 HA3 GLY 9 3HA GLY 9 -2.633 12.892 5.021 69 H ASP 10 H ASP 10 -1.553 9.983 3.218 70 HA ASP 10 HA ASP 10 -3.338 10.671 0.966 71 HB2 ASP 10 2HB ASP 10 -0.790 11.774 1.137 72 HB3 ASP 10 3HB ASP 10 -0.526 10.336 0.148 73 H PHE 11 H PHE 11 -1.472 8.178 2.585 74 HA PHE 11 HA PHE 11 -2.723 6.206 0.830 75 HB2 PHE 11 2HB PHE 11 -0.468 5.005 0.534 76 HB3 PHE 11 3HB PHE 11 -0.924 6.301 -0.506 77 HD1 PHE 11 HD2 PHE 11 0.998 6.142 2.791 78 HD2 PHE 11 HD1 PHE 11 0.795 7.557 -1.278 79 HE1 PHE 11 HE2 PHE 11 3.303 7.007 2.971 80 HE2 PHE 11 HE1 PHE 11 3.060 8.527 -1.047 81 HZ PHE 11 HZ PHE 11 4.328 8.230 1.068 82 H ALA 12 H ALA 12 -2.646 4.021 1.571 83 HA ALA 12 HA ALA 12 -2.480 3.743 4.533 84 HB1 ALA 12 1HB ALA 12 -4.736 4.559 3.855 85 HB2 ALA 12 2HB ALA 12 -4.908 3.141 2.807 86 HB3 ALA 12 3HB ALA 12 -4.784 2.928 4.562 87 H ALA 13 H ALA 13 -2.656 1.572 5.333 88 HA ALA 13 HA ALA 13 -2.104 -0.670 3.454 89 HB1 ALA 13 1HB ALA 13 -0.485 0.085 5.938 90 HB2 ALA 13 2HB ALA 13 -0.164 -1.267 4.819 91 HB3 ALA 13 3HB ALA 13 0.011 0.413 4.271 92 H GLU 14 H GLU 14 -3.027 -2.658 4.117 93 HA GLU 14 HA GLU 14 -3.610 -3.210 6.894 94 HB2 GLU 14 2HB GLU 14 -6.015 -3.572 6.600 95 HB3 GLU 14 3HB GLU 14 -5.614 -1.870 6.455 96 HG2 GLU 14 2HG GLU 14 -6.011 -1.830 4.120 97 HG3 GLU 14 3HG GLU 14 -5.871 -3.582 3.962 98 H TYR 15 H TYR 15 -4.715 -5.455 7.013 99 HA TYR 15 HA TYR 15 -3.923 -7.194 4.764 100 HB2 TYR 15 2HB TYR 15 -5.394 -7.779 7.349 101 HB3 TYR 15 3HB TYR 15 -4.888 -8.975 6.160 102 HD1 TYR 15 HD1 TYR 15 -2.232 -8.432 5.396 103 HD2 TYR 15 HD2 TYR 15 -3.967 -7.603 9.238 104 HE1 TYR 15 HE1 TYR 15 -0.041 -8.949 6.494 105 HE2 TYR 15 HE2 TYR 15 -1.767 -8.041 10.324 106 HH TYR 15 HH TYR 15 1.103 -9.065 8.413 107 H ALA 16 H ALA 16 -5.217 -7.949 3.210 108 HA ALA 16 HA ALA 16 -7.604 -6.617 2.499 109 HB1 ALA 16 1HB ALA 16 -6.000 -7.637 0.929 110 HB2 ALA 16 2HB ALA 16 -6.420 -9.239 1.560 111 HB3 ALA 16 3HB ALA 16 -7.638 -8.289 0.680 112 H LYS 17 H LYS 17 -9.644 -6.878 3.237 113 HA LYS 17 HA LYS 17 -10.387 -9.032 5.012 114 HB2 LYS 17 2HB LYS 17 -11.845 -6.675 3.764 115 HB3 LYS 17 3HB LYS 17 -12.768 -7.938 4.560 116 HG2 LYS 17 2HG LYS 17 -12.400 -6.126 6.091 117 HG3 LYS 17 3HG LYS 17 -11.608 -7.597 6.666 118 HD2 LYS 17 2HD LYS 17 -9.429 -6.753 5.964 119 HD3 LYS 17 3HD LYS 17 -10.179 -5.306 5.243 120 HE2 LYS 17 2HE LYS 17 -11.022 -4.655 7.493 121 HE3 LYS 17 3HE LYS 17 -10.269 -6.101 8.188 122 HZ1 LYS 17 3HZ LYS 17 -8.814 -4.205 8.467 123 HZ2 LYS 17 1HZ LYS 17 -8.112 -5.222 7.383 124 HZ3 LYS 17 2HZ LYS 17 -8.841 -3.846 6.870 125 H SER 18 H SER 18 -10.911 -8.538 1.577 126 HA SER 18 HA SER 18 -12.079 -11.250 1.272 127 HB2 SER 18 2HB SER 18 -13.429 -8.724 0.224 128 HB3 SER 18 3HB SER 18 -13.960 -10.388 -0.064 129 HG SER 18 HG SER 18 -14.319 -10.582 2.207 130 H ASN 19 H ASN 19 -11.988 -12.058 -0.878 131 HA ASN 19 HA ASN 19 -9.946 -10.898 -2.630 132 HB2 ASN 19 2HB ASN 19 -10.127 -13.345 -2.139 133 HB3 ASN 19 3HB ASN 19 -11.714 -13.350 -2.934 134 HD21 ASN 19 2HD2 ASN 19 -8.574 -11.806 -3.972 135 HD22 ASN 19 1HD2 ASN 19 -8.464 -12.813 -5.398 136 H ARG 20 H ARG 20 -11.816 -9.031 -2.416 137 HA ARG 20 HA ARG 20 -13.387 -9.070 -4.951 138 HB2 ARG 20 2HB ARG 20 -14.412 -8.226 -2.206 139 HB3 ARG 20 3HB ARG 20 -15.305 -8.029 -3.711 140 HG2 ARG 20 2HG ARG 20 -14.471 -10.713 -2.528 141 HG3 ARG 20 3HG ARG 20 -16.064 -9.974 -2.400 142 HD2 ARG 20 2HD ARG 20 -16.368 -10.058 -4.825 143 HD3 ARG 20 3HD ARG 20 -14.755 -10.716 -5.056 144 HE ARG 20 HE ARG 20 -17.120 -12.110 -3.940 145 HH11 ARG 20 1HH2 ARG 20 -13.698 -12.424 -4.753 146 HH12 ARG 20 2HH2 ARG 20 -13.795 -14.166 -4.743 147 HH21 ARG 20 1HH1 ARG 20 -17.121 -14.316 -3.916 148 HH22 ARG 20 2HH1 ARG 20 -15.663 -15.197 -4.257 149 H SER 21 H SER 21 -10.855 -7.779 -4.124 150 HA SER 21 HA SER 21 -11.460 -5.119 -5.262 151 HB2 SER 21 2HB SER 21 -9.839 -3.992 -3.860 152 HB3 SER 21 3HB SER 21 -11.121 -4.701 -2.872 153 HG SER 21 HG SER 21 -9.682 -6.455 -2.420 154 H THR 22 H THR 22 -9.431 -4.133 -6.230 155 HA THR 22 HA THR 22 -7.731 -6.248 -7.483 156 HB THR 22 HB THR 22 -9.365 -4.155 -8.899 157 HG1 THR 22 1HG THR 22 -10.521 -5.918 -9.704 158 HG21 THR 22 1HG2 THR 22 -7.255 -4.679 -10.143 159 HG22 THR 22 2HG2 THR 22 -7.740 -6.392 -10.156 160 HG23 THR 22 3HG2 THR 22 -8.710 -5.181 -11.006 161 H CYS 23 HN CYS 23 -5.736 -5.684 -7.879 162 HA CYS 23 HA CYS 23 -4.633 -3.229 -6.879 163 HB2 CYS 23 2HB CYS 23 -3.406 -5.234 -6.649 164 HB3 CYS 23 3HB CYS 23 -3.690 -5.681 -8.332 165 H LYS 24 H LYS 24 -4.865 -1.429 -7.891 166 HA LYS 24 HA LYS 24 -5.351 -1.082 -10.739 167 HB2 LYS 24 2HB LYS 24 -4.731 0.914 -8.534 168 HB3 LYS 24 3HB LYS 24 -5.392 1.308 -10.130 169 HG2 LYS 24 2HG LYS 24 -6.768 -0.288 -7.916 170 HG3 LYS 24 3HG LYS 24 -7.164 1.333 -8.447 171 HD2 LYS 24 2HD LYS 24 -7.827 0.444 -10.681 172 HD3 LYS 24 3HD LYS 24 -7.518 -1.208 -10.083 173 HE2 LYS 24 2HE LYS 24 -9.170 -0.911 -8.293 174 HE3 LYS 24 3HE LYS 24 -9.462 0.758 -8.801 175 HZ1 LYS 24 3HZ LYS 24 -10.300 -0.096 -10.925 176 HZ2 LYS 24 1HZ LYS 24 -10.036 -1.642 -10.465 177 HZ3 LYS 24 2HZ LYS 24 -11.151 -0.737 -9.693 178 H GLY 25 H GLY 25 -2.525 -1.610 -8.994 179 HA2 GLY 25 2HA GLY 25 -0.632 -0.182 -10.691 180 HA3 GLY 25 3HA GLY 25 -0.277 -1.502 -9.573 181 H CYS 26 HN CYS 26 -1.698 -3.600 -10.551 182 HA CYS 26 HA CYS 26 -0.602 -3.978 -13.300 183 HB2 CYS 26 2HB CYS 26 0.143 -6.141 -12.829 184 HB3 CYS 26 3HB CYS 26 0.767 -5.085 -11.563 185 H MET 27 H MET 27 -3.520 -3.879 -11.790 186 HA MET 27 HA MET 27 -5.599 -4.381 -12.347 187 HB2 MET 27 2HB MET 27 -4.667 -3.558 -14.660 188 HB3 MET 27 3HB MET 27 -4.856 -5.241 -15.132 189 HG2 MET 27 2HG MET 27 -6.937 -4.565 -15.691 190 HG3 MET 27 3HG MET 27 -7.294 -4.838 -13.994 191 HE1 MET 27 3HE MET 27 -6.973 -1.002 -12.689 192 HE2 MET 27 1HE MET 27 -7.135 -2.689 -12.150 193 HE3 MET 27 2HE MET 27 -5.595 -2.110 -12.833 194 H GLU 28 H GLU 28 -4.560 -6.205 -10.786 195 HA GLU 28 HA GLU 28 -5.961 -8.683 -11.645 196 HB2 GLU 28 2HB GLU 28 -3.149 -8.575 -10.502 197 HB3 GLU 28 3HB GLU 28 -4.153 -10.007 -10.384 198 HG2 GLU 28 2HG GLU 28 -3.327 -8.665 -12.977 199 HG3 GLU 28 3HG GLU 28 -2.582 -10.099 -12.265 200 H LYS 29 H LYS 29 -6.697 -10.000 -9.955 201 HA LYS 29 HA LYS 29 -7.856 -8.254 -7.953 202 HB2 LYS 29 2HB LYS 29 -9.215 -10.090 -7.227 203 HB3 LYS 29 3HB LYS 29 -9.270 -9.904 -8.978 204 HG2 LYS 29 2HG LYS 29 -7.806 -11.853 -9.284 205 HG3 LYS 29 3HG LYS 29 -7.589 -11.998 -7.526 206 HD2 LYS 29 2HD LYS 29 -10.048 -12.331 -7.266 207 HD3 LYS 29 3HD LYS 29 -10.224 -12.318 -9.029 208 HE2 LYS 29 2HE LYS 29 -8.911 -14.317 -9.276 209 HE3 LYS 29 3HE LYS 29 -8.325 -14.230 -7.611 210 HZ1 LYS 29 3HZ LYS 29 -11.154 -14.736 -8.356 211 HZ2 LYS 29 1HZ LYS 29 -10.101 -15.872 -7.836 212 HZ3 LYS 29 2HZ LYS 29 -10.564 -14.672 -6.824 213 H ILE 30 H ILE 30 -7.466 -7.957 -5.910 214 HA ILE 30 HA ILE 30 -4.964 -8.919 -4.784 215 HB ILE 30 HB ILE 30 -7.160 -7.061 -3.860 216 HG12 ILE 30 2HG1 ILE 30 -4.189 -6.548 -4.360 217 HG13 ILE 30 3HG1 ILE 30 -5.365 -6.499 -5.660 218 HG21 ILE 30 1HG2 ILE 30 -6.305 -8.169 -1.803 219 HG22 ILE 30 2HG2 ILE 30 -4.643 -7.741 -2.283 220 HG23 ILE 30 3HG2 ILE 30 -5.843 -6.482 -1.903 221 HD11 ILE 30 3HD1 ILE 30 -5.385 -4.675 -3.231 222 HD12 ILE 30 1HD1 ILE 30 -4.920 -4.267 -4.892 223 HD13 ILE 30 2HD1 ILE 30 -6.603 -4.693 -4.537 224 H GLU 31 H GLU 31 -4.584 -10.468 -3.282 225 HA GLU 31 HA GLU 31 -6.651 -12.474 -2.870 226 HB2 GLU 31 2HB GLU 31 -3.837 -12.427 -1.756 227 HB3 GLU 31 3HB GLU 31 -4.934 -13.806 -1.858 228 HG2 GLU 31 2HG GLU 31 -4.862 -13.454 -4.410 229 HG3 GLU 31 3HG GLU 31 -3.521 -12.333 -4.096 230 H LYS 32 H LYS 32 -7.562 -13.119 -0.987 231 HA LYS 32 HA LYS 32 -7.924 -11.227 1.186 232 HB2 LYS 32 2HB LYS 32 -9.686 -12.787 0.445 233 HB3 LYS 32 3HB LYS 32 -8.695 -14.169 0.928 234 HG2 LYS 32 2HG LYS 32 -8.796 -13.458 3.288 235 HG3 LYS 32 3HG LYS 32 -9.697 -12.000 2.829 236 HD2 LYS 32 2HD LYS 32 -11.564 -13.414 2.042 237 HD3 LYS 32 3HD LYS 32 -10.628 -14.877 2.431 238 HE2 LYS 32 2HE LYS 32 -10.540 -14.199 4.811 239 HE3 LYS 32 3HE LYS 32 -11.442 -12.727 4.439 240 HZ1 LYS 32 3HZ LYS 32 -12.488 -15.490 4.094 241 HZ2 LYS 32 1HZ LYS 32 -12.899 -14.470 5.299 242 HZ3 LYS 32 2HZ LYS 32 -13.322 -14.122 3.764 243 H GLY 33 H GLY 33 -7.230 -11.307 3.285 244 HA2 GLY 33 2HA GLY 33 -6.046 -11.894 5.162 245 HA3 GLY 33 3HA GLY 33 -5.782 -13.486 4.449 246 H GLN 34 H GLN 34 -4.536 -10.967 2.504 247 HA GLN 34 HA GLN 34 -1.856 -10.973 3.781 248 HB2 GLN 34 2HB GLN 34 -0.741 -11.175 1.639 249 HB3 GLN 34 3HB GLN 34 -1.720 -12.580 2.006 250 HG2 GLN 34 2HG GLN 34 -2.020 -12.216 -0.300 251 HG3 GLN 34 3HG GLN 34 -3.508 -11.663 0.442 252 HE21 GLN 34 1HE2 GLN 34 -4.155 -9.497 -0.078 253 HE22 GLN 34 2HE2 GLN 34 -2.986 -8.302 -0.666 254 H VAL 35 H VAL 35 -0.478 -9.095 2.851 255 HA VAL 35 HA VAL 35 -1.899 -6.741 3.630 256 HB VAL 35 HB VAL 35 0.827 -6.966 2.314 257 HG11 VAL 35 1HG1 VAL 35 -0.432 -4.662 3.878 258 HG12 VAL 35 2HG1 VAL 35 1.269 -4.758 3.373 259 HG13 VAL 35 3HG1 VAL 35 0.008 -4.644 2.154 260 HG21 VAL 35 3HG2 VAL 35 0.056 -6.754 5.248 261 HG22 VAL 35 1HG2 VAL 35 0.746 -8.187 4.448 262 HG23 VAL 35 2HG2 VAL 35 1.706 -6.720 4.602 263 H ARG 36 H ARG 36 -2.884 -5.145 2.550 264 HA ARG 36 HA ARG 36 -2.298 -4.752 -0.317 265 HB2 ARG 36 2HB ARG 36 -4.544 -4.239 -0.917 266 HB3 ARG 36 3HB ARG 36 -4.430 -5.889 -0.298 267 HG2 ARG 36 2HG ARG 36 -5.498 -5.254 1.799 268 HG3 ARG 36 3HG ARG 36 -5.442 -3.546 1.357 269 HD2 ARG 36 2HD ARG 36 -6.878 -4.069 -0.653 270 HD3 ARG 36 3HD ARG 36 -7.082 -5.710 -0.024 271 HE ARG 36 HE ARG 36 -7.816 -4.063 2.108 272 HH11 ARG 36 1HH2 ARG 36 -9.081 -4.313 -1.189 273 HH12 ARG 36 2HH2 ARG 36 -10.532 -3.472 -0.713 274 HH21 ARG 36 1HH1 ARG 36 -9.621 -3.232 2.590 275 HH22 ARG 36 2HH1 ARG 36 -10.896 -2.922 1.407 276 H LEU 37 H LEU 37 -2.094 -2.663 -0.959 277 HA LEU 37 HA LEU 37 -2.235 -0.570 1.163 278 HB2 LEU 37 2HB LEU 37 -0.442 -0.474 -1.281 279 HB3 LEU 37 3HB LEU 37 -0.478 0.588 0.142 280 HG LEU 37 HG LEU 37 1.470 -0.550 0.339 281 HD11 LEU 37 1HD1 LEU 37 -0.373 -2.138 2.140 282 HD12 LEU 37 2HD1 LEU 37 1.334 -1.712 2.404 283 HD13 LEU 37 3HD1 LEU 37 0.093 -0.441 2.347 284 HD21 LEU 37 3HD2 LEU 37 0.125 -3.268 0.007 285 HD22 LEU 37 1HD2 LEU 37 1.048 -2.421 -1.251 286 HD23 LEU 37 2HD2 LEU 37 1.838 -2.915 0.263 287 H SER 38 H SER 38 -2.892 1.578 0.464 288 HA SER 38 HA SER 38 -3.910 1.796 -2.283 289 HB2 SER 38 2HB SER 38 -6.022 2.809 -1.665 290 HB3 SER 38 3HB SER 38 -5.907 1.177 -1.012 291 HG SER 38 HG SER 38 -6.686 2.558 0.582 292 H LYS 39 H LYS 39 -4.211 3.886 -3.056 293 HA LYS 39 HA LYS 39 -2.935 6.129 -1.503 294 HB2 LYS 39 2HB LYS 39 -1.586 5.513 -3.448 295 HB3 LYS 39 3HB LYS 39 -3.018 5.498 -4.465 296 HG2 LYS 39 2HG LYS 39 -2.171 7.439 -5.121 297 HG3 LYS 39 3HG LYS 39 -3.200 8.063 -3.842 298 HD2 LYS 39 2HD LYS 39 -1.294 8.397 -2.387 299 HD3 LYS 39 3HD LYS 39 -0.217 7.537 -3.525 300 HE2 LYS 39 2HE LYS 39 -0.675 9.193 -5.280 301 HE3 LYS 39 3HE LYS 39 -1.830 10.025 -4.231 302 HZ1 LYS 39 3HZ LYS 39 0.346 11.106 -4.301 303 HZ2 LYS 39 1HZ LYS 39 -0.104 10.700 -2.799 304 HZ3 LYS 39 2HZ LYS 39 1.057 9.805 -3.619 305 H LYS 40 H LYS 40 -4.280 7.750 -1.024 306 HA LYS 40 HA LYS 40 -6.920 8.001 -2.369 307 HB2 LYS 40 2HB LYS 40 -7.203 8.160 -0.090 308 HB3 LYS 40 3HB LYS 40 -5.821 9.195 0.154 309 HG2 LYS 40 2HG LYS 40 -8.250 10.090 -1.530 310 HG3 LYS 40 3HG LYS 40 -8.291 10.143 0.221 311 HD2 LYS 40 2HD LYS 40 -6.561 11.813 -1.615 312 HD3 LYS 40 3HD LYS 40 -7.773 12.330 -0.444 313 HE2 LYS 40 2HE LYS 40 -6.327 11.467 1.402 314 HE3 LYS 40 3HE LYS 40 -5.116 11.008 0.180 315 HZ1 LYS 40 3HZ LYS 40 -4.553 13.154 -0.225 316 HZ2 LYS 40 1HZ LYS 40 -5.933 13.823 0.445 317 HZ3 LYS 40 2HZ LYS 40 -4.745 13.147 1.371 318 H MET 41 H MET 41 -6.839 9.010 -4.260 319 HA MET 41 HA MET 41 -5.680 11.676 -4.389 320 HB2 MET 41 2HB MET 41 -4.195 11.327 -6.290 321 HB3 MET 41 3HB MET 41 -3.647 10.411 -4.897 322 HG2 MET 41 2HG MET 41 -4.578 8.340 -5.860 323 HG3 MET 41 3HG MET 41 -5.210 9.247 -7.238 324 HE1 MET 41 3HE MET 41 -3.433 6.632 -7.410 325 HE2 MET 41 1HE MET 41 -4.144 7.496 -8.794 326 HE3 MET 41 2HE MET 41 -2.415 7.059 -8.807 327 H VAL 42 H VAL 42 -6.544 12.932 -6.147 328 HA VAL 42 HA VAL 42 -8.708 12.074 -7.683 329 HB VAL 42 HB VAL 42 -6.522 14.027 -8.491 330 HG11 VAL 42 1HG1 VAL 42 -7.769 13.380 -10.483 331 HG12 VAL 42 2HG1 VAL 42 -9.319 13.628 -9.634 332 HG13 VAL 42 3HG1 VAL 42 -8.256 15.003 -10.001 333 HG21 VAL 42 3HG2 VAL 42 -8.135 15.772 -7.766 334 HG22 VAL 42 1HG2 VAL 42 -9.234 14.508 -7.179 335 HG23 VAL 42 2HG2 VAL 42 -7.640 14.744 -6.424 336 H ASP 43 H ASP 43 -8.933 10.652 -9.325 337 HA ASP 43 HA ASP 43 -6.785 8.916 -10.023 338 HB2 ASP 43 2HB ASP 43 -9.205 8.322 -9.960 339 HB3 ASP 43 3HB ASP 43 -9.451 9.269 -11.422 340 HA PRO 44 HA PRO 44 -5.029 11.666 -13.085 341 HB2 PRO 44 2HB PRO 44 -2.943 10.111 -13.998 342 HB3 PRO 44 3HB PRO 44 -2.964 10.883 -12.383 343 HG2 PRO 44 2HG PRO 44 -3.775 8.035 -13.084 344 HG3 PRO 44 3HG PRO 44 -2.651 8.576 -11.791 345 HD2 PRO 44 2HD PRO 44 -5.237 8.016 -11.276 346 HD3 PRO 44 3HD PRO 44 -4.425 9.399 -10.475 347 H GLU 45 H GLU 45 -6.500 8.628 -13.848 348 HA GLU 45 HA GLU 45 -6.476 9.129 -16.798 349 HB2 GLU 45 2HB GLU 45 -7.323 6.684 -15.192 350 HB3 GLU 45 3HB GLU 45 -7.300 6.819 -16.947 351 HG2 GLU 45 2HG GLU 45 -4.866 7.042 -16.963 352 HG3 GLU 45 3HG GLU 45 -4.807 7.059 -15.201 353 H LYS 46 H LYS 46 -8.358 9.617 -14.020 354 HA LYS 46 HA LYS 46 -10.865 10.163 -15.513 355 HB2 LYS 46 2HB LYS 46 -10.636 8.232 -13.179 356 HB3 LYS 46 3HB LYS 46 -12.162 8.909 -13.759 357 HG2 LYS 46 2HG LYS 46 -11.858 7.837 -15.937 358 HG3 LYS 46 3HG LYS 46 -10.345 7.089 -15.383 359 HD2 LYS 46 2HD LYS 46 -12.993 6.754 -13.917 360 HD3 LYS 46 3HD LYS 46 -12.463 5.659 -15.215 361 HE2 LYS 46 2HE LYS 46 -10.359 5.193 -13.928 362 HE3 LYS 46 3HE LYS 46 -10.958 6.196 -12.607 363 HZ1 LYS 46 3HZ LYS 46 -12.258 3.716 -13.604 364 HZ2 LYS 46 1HZ LYS 46 -11.437 3.868 -12.201 365 HZ3 LYS 46 2HZ LYS 46 -12.856 4.651 -12.405 366 HA PRO 47 HA PRO 47 -9.530 13.040 -12.007 367 HB2 PRO 47 2HB PRO 47 -9.560 15.442 -13.403 368 HB3 PRO 47 3HB PRO 47 -8.145 14.364 -13.227 369 HG2 PRO 47 2HG PRO 47 -10.116 14.489 -15.529 370 HG3 PRO 47 3HG PRO 47 -8.319 14.443 -15.600 371 HD2 PRO 47 2HD PRO 47 -9.775 12.210 -15.970 372 HD3 PRO 47 3HD PRO 47 -8.262 12.163 -15.014 373 H GLN 48 H GLN 48 -12.232 13.013 -14.208 374 HA GLN 48 HA GLN 48 -13.951 14.919 -12.981 375 HB2 GLN 48 2HB GLN 48 -14.166 13.863 -15.241 376 HB3 GLN 48 3HB GLN 48 -14.667 12.354 -14.462 377 HG2 GLN 48 2HG GLN 48 -16.660 13.491 -13.532 378 HG3 GLN 48 3HG GLN 48 -16.109 15.034 -14.191 379 HE21 GLN 48 2HE2 GLN 48 -18.529 14.655 -14.999 380 HE22 GLN 48 1HE2 GLN 48 -18.625 13.942 -16.604 381 H LEU 49 H LEU 49 -13.091 11.618 -11.927 382 HA LEU 49 HA LEU 49 -15.224 11.133 -10.089 383 HB2 LEU 49 2HB LEU 49 -12.246 10.474 -10.155 384 HB3 LEU 49 3HB LEU 49 -13.273 9.889 -8.867 385 HG LEU 49 HG LEU 49 -13.836 9.242 -11.785 386 HD11 LEU 49 1HD1 LEU 49 -11.630 8.428 -11.118 387 HD12 LEU 49 2HD1 LEU 49 -12.289 7.738 -9.637 388 HD13 LEU 49 3HD1 LEU 49 -12.765 7.062 -11.217 389 HD21 LEU 49 3HD2 LEU 49 -15.763 8.988 -10.248 390 HD22 LEU 49 1HD2 LEU 49 -15.145 7.396 -10.720 391 HD23 LEU 49 2HD2 LEU 49 -14.754 8.066 -9.115 392 H GLY 50 H GLY 50 -12.489 13.359 -9.801 393 HA2 GLY 50 2HA GLY 50 -11.523 14.413 -7.962 394 HA3 GLY 50 3HA GLY 50 -12.899 13.948 -6.955 395 H MET 51 H MET 51 -11.488 13.208 -5.334 396 HA MET 51 HA MET 51 -9.332 11.454 -5.705 397 HB2 MET 51 2HB MET 51 -10.608 11.939 -3.021 398 HB3 MET 51 3HB MET 51 -8.916 11.674 -3.433 399 HG2 MET 51 2HG MET 51 -9.200 13.965 -4.758 400 HG3 MET 51 3HG MET 51 -10.614 14.160 -3.726 401 HE1 MET 51 3HE MET 51 -6.969 13.059 -3.680 402 HE2 MET 51 1HE MET 51 -6.901 14.761 -4.168 403 HE3 MET 51 2HE MET 51 -6.174 14.260 -2.622 404 H ILE 52 H ILE 52 -9.117 9.284 -5.524 405 HA ILE 52 HA ILE 52 -11.327 7.734 -4.284 406 HB ILE 52 HB ILE 52 -10.844 5.892 -5.901 407 HG12 ILE 52 2HG1 ILE 52 -9.507 7.967 -7.679 408 HG13 ILE 52 3HG1 ILE 52 -8.569 6.904 -6.632 409 HG21 ILE 52 1HG2 ILE 52 -11.883 8.412 -7.215 410 HG22 ILE 52 2HG2 ILE 52 -12.283 6.718 -7.609 411 HG23 ILE 52 3HG2 ILE 52 -12.784 7.393 -6.053 412 HD11 ILE 52 3HD1 ILE 52 -9.590 4.917 -7.666 413 HD12 ILE 52 1HD1 ILE 52 -10.446 5.975 -8.824 414 HD13 ILE 52 2HD1 ILE 52 -8.674 5.923 -8.800 415 H ASP 53 H ASP 53 -10.761 5.650 -3.581 416 HA ASP 53 HA ASP 53 -8.043 5.459 -2.363 417 HB2 ASP 53 2HB ASP 53 -10.602 3.890 -1.851 418 HB3 ASP 53 3HB ASP 53 -9.049 3.590 -1.068 419 H ARG 54 H ARG 54 -6.922 5.016 -4.232 420 HA ARG 54 HA ARG 54 -7.622 2.796 -6.033 421 HB2 ARG 54 2HB ARG 54 -6.325 5.240 -6.275 422 HB3 ARG 54 3HB ARG 54 -4.956 4.140 -6.263 423 HG2 ARG 54 2HG ARG 54 -5.641 3.067 -8.242 424 HG3 ARG 54 3HG ARG 54 -7.317 3.669 -8.102 425 HD2 ARG 54 2HD ARG 54 -6.366 6.020 -8.344 426 HD3 ARG 54 3HD ARG 54 -4.835 5.266 -8.816 427 HE ARG 54 HE ARG 54 -7.368 5.449 -10.353 428 HH11 ARG 54 1HH2 ARG 54 -4.214 3.889 -10.422 429 HH12 ARG 54 2HH2 ARG 54 -4.251 3.828 -12.172 430 HH21 ARG 54 1HH1 ARG 54 -7.212 5.529 -12.430 431 HH22 ARG 54 2HH1 ARG 54 -5.916 4.713 -13.305 432 H TRP 55 H TRP 55 -7.168 0.714 -5.438 433 HA TRP 55 HA TRP 55 -5.173 0.192 -3.348 434 HB2 TRP 55 2HB TRP 55 -7.161 -1.645 -4.697 435 HB3 TRP 55 3HB TRP 55 -6.048 -2.129 -3.428 436 HD1 TRP 55 HD1 TRP 55 -9.268 -0.231 -3.974 437 HE1 TRP 55 HE1 TRP 55 -10.366 0.349 -1.737 438 HE3 TRP 55 HE3 TRP 55 -5.499 -1.698 -0.782 439 HZ2 TRP 55 HZ2 TRP 55 -9.677 0.297 1.055 440 HZ3 TRP 55 HZ3 TRP 55 -5.720 -1.298 1.644 441 HH2 TRP 55 HH2 TRP 55 -7.802 -0.327 2.583 442 H TYR 56 H TYR 56 -3.580 -1.407 -3.435 443 HA TYR 56 HA TYR 56 -2.446 -2.322 -6.006 444 HB2 TYR 56 2HB TYR 56 -1.013 -0.622 -3.918 445 HB3 TYR 56 3HB TYR 56 -0.251 -1.376 -5.313 446 HD1 TYR 56 HD1 TYR 56 -0.820 -0.632 -7.612 447 HD2 TYR 56 HD2 TYR 56 -2.210 1.488 -4.140 448 HE1 TYR 56 HE1 TYR 56 -1.389 1.345 -9.045 449 HE2 TYR 56 HE2 TYR 56 -2.822 3.431 -5.573 450 HH TYR 56 HH TYR 56 -2.239 3.436 -9.108 451 H HIS 57 H HIS 57 -0.921 -3.975 -5.785 452 HA HIS 57 HA HIS 57 -0.945 -5.689 -3.409 453 HB2 HIS 57 2HB HIS 57 0.789 -5.780 -5.879 454 HB3 HIS 57 3HB HIS 57 0.904 -6.940 -4.590 455 HD2 HIS 57 HD2 HIS 57 -1.528 -8.291 -3.981 456 HE1 HIS 57 HE1 HIS 57 -2.793 -8.279 -8.035 457 HE2 HIS 57 HE2 HIS 57 -3.115 -9.376 -5.791 458 HA PRO 58 HA PRO 58 2.733 -4.106 -1.253 459 HB2 PRO 58 2HB PRO 58 3.621 -6.984 -1.182 460 HB3 PRO 58 3HB PRO 58 3.594 -5.775 0.142 461 HG2 PRO 58 2HG PRO 58 1.633 -7.614 0.011 462 HG3 PRO 58 3HG PRO 58 1.199 -5.888 0.283 463 HD2 PRO 58 2HD PRO 58 1.169 -7.431 -2.326 464 HD3 PRO 58 3HD PRO 58 -0.112 -6.409 -1.611 465 H GLY 59 H GLY 59 3.242 -6.250 -4.014 466 HA2 GLY 59 2HA GLY 59 6.017 -5.341 -4.468 467 HA3 GLY 59 3HA GLY 59 5.042 -6.371 -5.522 468 H CYS 60 HN CYS 60 2.772 -4.763 -5.947 469 HA CYS 60 HA CYS 60 3.788 -3.161 -8.039 470 HB2 CYS 60 2HB CYS 60 0.961 -3.336 -6.962 471 HB3 CYS 60 3HB CYS 60 1.443 -2.828 -8.588 472 H PHE 61 H PHE 61 2.317 -2.180 -4.921 473 HA PHE 61 HA PHE 61 2.262 0.603 -5.566 474 HB2 PHE 61 2HB PHE 61 1.480 0.894 -3.511 475 HB3 PHE 61 3HB PHE 61 1.366 -0.858 -3.473 476 HD1 PHE 61 HD2 PHE 61 3.241 -2.183 -2.466 477 HD2 PHE 61 HD1 PHE 61 3.011 2.080 -2.097 478 HE1 PHE 61 HE2 PHE 61 4.699 -2.294 -0.431 479 HE2 PHE 61 HE1 PHE 61 4.450 1.992 -0.052 480 HZ PHE 61 HZ PHE 61 5.286 -0.198 0.781 481 H VAL 62 H VAL 62 4.931 -1.461 -4.471 482 HA VAL 62 HA VAL 62 6.901 0.665 -4.303 483 HB VAL 62 HB VAL 62 7.293 -2.311 -4.731 484 HG11 VAL 62 1HG1 VAL 62 9.309 -0.148 -4.009 485 HG12 VAL 62 2HG1 VAL 62 9.607 -1.898 -3.959 486 HG13 VAL 62 3HG1 VAL 62 9.279 -1.118 -5.505 487 HG21 VAL 62 3HG2 VAL 62 7.884 -2.300 -2.335 488 HG22 VAL 62 1HG2 VAL 62 7.467 -0.571 -2.235 489 HG23 VAL 62 2HG2 VAL 62 6.227 -1.788 -2.592 490 H LYS 63 H LYS 63 5.898 -1.515 -6.997 491 HA LYS 63 HA LYS 63 7.880 -0.592 -8.861 492 HB2 LYS 63 2HB LYS 63 5.124 -1.801 -9.281 493 HB3 LYS 63 3HB LYS 63 6.210 -1.390 -10.606 494 HG2 LYS 63 2HG LYS 63 7.947 -2.907 -9.608 495 HG3 LYS 63 3HG LYS 63 6.740 -3.469 -8.454 496 HD2 LYS 63 2HD LYS 63 6.564 -3.632 -11.496 497 HD3 LYS 63 3HD LYS 63 6.959 -4.977 -10.438 498 HE2 LYS 63 2HE LYS 63 4.306 -3.471 -10.298 499 HE3 LYS 63 3HE LYS 63 4.558 -4.852 -11.359 500 HZ1 LYS 63 3HZ LYS 63 4.891 -6.267 -9.507 501 HZ2 LYS 63 1HZ LYS 63 5.017 -5.026 -8.443 502 HZ3 LYS 63 2HZ LYS 63 3.571 -5.366 -9.119 503 H ASN 64 H ASN 64 4.637 0.728 -8.146 504 HA ASN 64 HA ASN 64 5.225 3.032 -9.933 505 HB2 ASN 64 2HB ASN 64 2.654 3.447 -9.497 506 HB3 ASN 64 3HB ASN 64 3.301 2.503 -10.816 507 HD21 ASN 64 1HD2 ASN 64 1.802 2.158 -7.549 508 HD22 ASN 64 2HD2 ASN 64 1.090 0.608 -8.003 509 H ARG 65 H ARG 65 6.136 2.486 -6.957 510 HA ARG 65 HA ARG 65 5.060 4.367 -5.282 511 HB2 ARG 65 2HB ARG 65 7.125 4.312 -4.071 512 HB3 ARG 65 3HB ARG 65 6.940 2.743 -4.815 513 HG2 ARG 65 2HG ARG 65 8.439 3.608 -6.724 514 HG3 ARG 65 3HG ARG 65 8.754 5.026 -5.709 515 HD2 ARG 65 2HD ARG 65 9.720 3.660 -3.982 516 HD3 ARG 65 3HD ARG 65 9.288 2.165 -4.828 517 HE ARG 65 HE ARG 65 11.560 3.917 -5.351 518 HH11 ARG 65 1HH2 ARG 65 9.519 1.502 -6.914 519 HH12 ARG 65 2HH2 ARG 65 10.766 1.106 -8.070 520 HH21 ARG 65 1HH1 ARG 65 13.065 3.351 -6.870 521 HH22 ARG 65 2HH1 ARG 65 12.699 2.129 -8.049 522 H GLU 66 H GLU 66 7.242 5.045 -7.944 523 HA GLU 66 HA GLU 66 7.629 7.834 -7.234 524 HB2 GLU 66 2HB GLU 66 8.963 7.916 -9.299 525 HB3 GLU 66 3HB GLU 66 9.441 6.626 -8.187 526 HG2 GLU 66 2HG GLU 66 8.330 4.939 -9.560 527 HG3 GLU 66 3HG GLU 66 7.694 6.182 -10.645 528 H GLU 67 H GLU 67 5.358 6.092 -9.239 529 HA GLU 67 HA GLU 67 4.186 8.503 -10.440 530 HB2 GLU 67 2HB GLU 67 4.115 6.304 -11.572 531 HB3 GLU 67 3HB GLU 67 3.113 5.667 -10.261 532 HG2 GLU 67 2HG GLU 67 1.329 7.257 -10.792 533 HG3 GLU 67 3HG GLU 67 2.354 8.059 -11.987 534 H LEU 68 H LEU 68 3.594 6.297 -7.690 535 HA LEU 68 HA LEU 68 1.402 7.819 -6.555 536 HB2 LEU 68 2HB LEU 68 3.277 5.738 -5.371 537 HB3 LEU 68 3HB LEU 68 1.837 6.349 -4.571 538 HG LEU 68 HG LEU 68 1.849 4.784 -7.197 539 HD11 LEU 68 1HD1 LEU 68 2.457 3.387 -5.276 540 HD12 LEU 68 2HD1 LEU 68 1.044 3.980 -4.375 541 HD13 LEU 68 3HD1 LEU 68 0.815 2.997 -5.831 542 HD21 LEU 68 3HD2 LEU 68 -0.586 4.652 -6.842 543 HD22 LEU 68 1HD2 LEU 68 -0.444 5.771 -5.478 544 HD23 LEU 68 2HD2 LEU 68 -0.063 6.304 -7.132 545 H GLY 69 H GLY 69 4.786 8.475 -6.566 546 HA2 GLY 69 2HA GLY 69 5.636 10.588 -6.050 547 HA3 GLY 69 3HA GLY 69 4.178 10.980 -5.139 548 H PHE 70 H PHE 70 5.813 7.997 -4.335 549 HA PHE 70 HA PHE 70 6.387 8.752 -1.623 550 HB2 PHE 70 2HB PHE 70 7.133 6.429 -3.397 551 HB3 PHE 70 3HB PHE 70 7.923 6.628 -1.855 552 HD1 PHE 70 HD1 PHE 70 4.618 5.957 -3.434 553 HD2 PHE 70 HD2 PHE 70 6.853 6.229 0.243 554 HE1 PHE 70 HE1 PHE 70 2.838 4.695 -2.255 555 HE2 PHE 70 HE2 PHE 70 5.078 4.968 1.419 556 HZ PHE 70 HZ PHE 70 3.075 4.184 0.165 557 H ARG 71 H ARG 71 8.162 9.316 -0.606 558 HA ARG 71 HA ARG 71 10.832 9.480 -1.882 559 HB2 ARG 71 2HB ARG 71 9.536 11.646 -0.181 560 HB3 ARG 71 3HB ARG 71 11.221 11.645 -0.688 561 HG2 ARG 71 2HG ARG 71 10.574 11.963 -3.031 562 HG3 ARG 71 3HG ARG 71 8.847 11.880 -2.588 563 HD2 ARG 71 2HD ARG 71 9.166 13.754 -1.007 564 HD3 ARG 71 3HD ARG 71 10.865 13.886 -1.499 565 HE ARG 71 HE ARG 71 9.269 14.124 -3.830 566 HH11 ARG 71 1HH2 ARG 71 9.852 15.942 -0.867 567 HH12 ARG 71 2HH2 ARG 71 9.448 17.464 -1.629 568 HH21 ARG 71 1HH1 ARG 71 8.771 16.114 -4.722 569 HH22 ARG 71 2HH1 ARG 71 8.854 17.552 -3.748 570 HA PRO 72 HA PRO 72 12.026 7.693 2.048 571 HB2 PRO 72 2HB PRO 72 14.189 9.775 2.247 572 HB3 PRO 72 3HB PRO 72 14.291 8.004 2.483 573 HG2 PRO 72 2HG PRO 72 15.147 9.117 0.146 574 HG3 PRO 72 3HG PRO 72 14.173 7.609 0.111 575 HD2 PRO 72 2HD PRO 72 13.233 10.460 -0.339 576 HD3 PRO 72 3HD PRO 72 12.861 8.986 -1.283 577 H GLU 73 H GLU 73 11.626 11.261 1.959 578 HA GLU 73 HA GLU 73 11.447 11.568 4.808 579 HB2 GLU 73 2HB GLU 73 10.570 13.768 4.371 580 HB3 GLU 73 3HB GLU 73 11.917 13.438 3.283 581 HG2 GLU 73 2HG GLU 73 10.335 12.936 1.454 582 HG3 GLU 73 3HG GLU 73 8.967 13.259 2.520 583 H TYR 74 H TYR 74 9.268 10.013 2.731 584 HA TYR 74 HA TYR 74 7.520 9.466 4.964 585 HB2 TYR 74 2HB TYR 74 5.414 9.994 3.554 586 HB3 TYR 74 3HB TYR 74 6.221 11.225 4.482 587 HD1 TYR 74 HD2 TYR 74 7.074 10.004 1.013 588 HD2 TYR 74 HD1 TYR 74 5.724 13.238 3.519 589 HE1 TYR 74 HE2 TYR 74 7.103 11.554 -0.951 590 HE2 TYR 74 HE1 TYR 74 5.777 14.779 1.571 591 HH TYR 74 HH TYR 74 6.184 15.000 -0.668 592 H SER 75 H SER 75 8.981 7.610 4.352 593 HA SER 75 HA SER 75 8.383 5.847 2.205 594 HB2 SER 75 2HB SER 75 9.674 4.282 3.497 595 HB3 SER 75 3HB SER 75 10.417 5.876 3.649 596 HG SER 75 HG SER 75 10.031 4.533 5.654 597 H ALA 76 H ALA 76 7.839 3.420 3.080 598 HA ALA 76 HA ALA 76 5.075 3.140 3.339 599 HB1 ALA 76 1HB ALA 76 5.612 0.799 3.884 600 HB2 ALA 76 2HB ALA 76 6.645 1.392 2.571 601 HB3 ALA 76 3HB ALA 76 7.298 1.242 4.220 602 H SER 77 H SER 77 7.302 3.888 5.980 603 HA SER 77 HA SER 77 5.619 2.923 8.127 604 HB2 SER 77 2HB SER 77 7.684 5.156 8.166 605 HB3 SER 77 3HB SER 77 6.985 4.341 9.577 606 HG SER 77 HG SER 77 7.805 2.340 8.467 607 H GLN 78 H GLN 78 5.291 5.663 6.000 608 HA GLN 78 HA GLN 78 3.385 6.948 7.823 609 HB2 GLN 78 2HB GLN 78 4.649 8.062 5.303 610 HB3 GLN 78 3HB GLN 78 3.537 8.884 6.400 611 HG2 GLN 78 2HG GLN 78 5.313 8.321 8.263 612 HG3 GLN 78 3HG GLN 78 6.401 8.048 6.910 613 HE21 GLN 78 2HE2 GLN 78 7.644 9.875 7.963 614 HE22 GLN 78 1HE2 GLN 78 7.175 11.493 7.484 615 H LEU 79 H LEU 79 2.862 4.422 6.292 616 HA LEU 79 HA LEU 79 0.432 5.213 4.768 617 HB2 LEU 79 2HB LEU 79 1.686 2.541 5.504 618 HB3 LEU 79 3HB LEU 79 0.136 2.687 4.697 619 HG LEU 79 HG LEU 79 2.588 3.892 3.396 620 HD11 LEU 79 1HD1 LEU 79 3.078 1.845 2.217 621 HD12 LEU 79 2HD1 LEU 79 3.194 1.510 3.953 622 HD13 LEU 79 3HD1 LEU 79 1.780 0.979 3.049 623 HD21 LEU 79 3HD2 LEU 79 0.188 2.459 2.204 624 HD22 LEU 79 1HD2 LEU 79 0.219 4.188 2.555 625 HD23 LEU 79 2HD2 LEU 79 1.351 3.508 1.379 626 H LYS 80 H LYS 80 -1.563 5.255 5.669 627 HA LYS 80 HA LYS 80 -2.052 5.113 8.459 628 HB2 LYS 80 2HB LYS 80 -4.105 4.500 6.288 629 HB3 LYS 80 3HB LYS 80 -4.434 4.946 7.961 630 HG2 LYS 80 2HG LYS 80 -3.231 7.124 7.521 631 HG3 LYS 80 3HG LYS 80 -3.209 6.682 5.800 632 HD2 LYS 80 2HD LYS 80 -5.687 7.055 7.549 633 HD3 LYS 80 3HD LYS 80 -5.053 8.239 6.400 634 HE2 LYS 80 2HE LYS 80 -5.434 6.656 4.530 635 HE3 LYS 80 3HE LYS 80 -6.071 5.456 5.669 636 HZ1 LYS 80 3HZ LYS 80 -7.858 7.015 6.220 637 HZ2 LYS 80 1HZ LYS 80 -7.275 8.130 5.176 638 HZ3 LYS 80 2HZ LYS 80 -7.863 6.713 4.617 639 H GLY 81 H GLY 81 -2.292 3.476 9.869 640 HA2 GLY 81 2HA GLY 81 -2.791 1.383 10.730 641 HA3 GLY 81 3HA GLY 81 -3.477 0.929 9.171 642 H PHE 82 H PHE 82 -0.223 1.884 8.661 643 HA PHE 82 HA PHE 82 0.782 -0.716 8.063 644 HB2 PHE 82 2HB PHE 82 1.923 1.076 7.105 645 HB3 PHE 82 3HB PHE 82 1.957 2.013 8.590 646 HD1 PHE 82 HD1 PHE 82 3.606 1.616 10.355 647 HD2 PHE 82 HD2 PHE 82 3.794 -0.442 6.566 648 HE1 PHE 82 HE1 PHE 82 5.967 1.002 10.805 649 HE2 PHE 82 HE2 PHE 82 6.165 -1.011 7.009 650 HZ PHE 82 HZ PHE 82 7.247 -0.321 9.127 651 H SER 83 H SER 83 0.901 1.242 11.028 652 HA SER 83 HA SER 83 2.673 -0.353 12.547 653 HB2 SER 83 2HB SER 83 1.714 0.975 14.453 654 HB3 SER 83 3HB SER 83 2.249 1.945 13.063 655 HG SER 83 HG SER 83 0.177 2.588 13.847 656 H LEU 84 H LEU 84 -0.709 -0.881 11.862 657 HA LEU 84 HA LEU 84 -1.123 -2.724 14.132 658 HB2 LEU 84 2HB LEU 84 -2.883 -1.603 11.924 659 HB3 LEU 84 3HB LEU 84 -3.405 -2.966 12.877 660 HG LEU 84 HG LEU 84 -4.401 -0.943 13.677 661 HD11 LEU 84 1HD1 LEU 84 -3.975 -1.169 16.041 662 HD12 LEU 84 2HD1 LEU 84 -3.913 -2.771 15.287 663 HD13 LEU 84 3HD1 LEU 84 -2.407 -1.942 15.747 664 HD21 LEU 84 3HD2 LEU 84 -3.228 0.852 14.759 665 HD22 LEU 84 1HD2 LEU 84 -1.661 0.061 14.515 666 HD23 LEU 84 2HD2 LEU 84 -2.581 0.668 13.119 667 H LEU 85 H LEU 85 0.264 -3.063 11.062 668 HA LEU 85 HA LEU 85 -0.625 -5.802 10.505 669 HB2 LEU 85 2HB LEU 85 1.746 -4.187 9.520 670 HB3 LEU 85 3HB LEU 85 1.287 -5.758 8.890 671 HG LEU 85 HG LEU 85 -0.533 -3.314 8.750 672 HD11 LEU 85 1HD1 LEU 85 1.306 -4.501 6.623 673 HD12 LEU 85 2HD1 LEU 85 0.178 -3.146 6.401 674 HD13 LEU 85 3HD1 LEU 85 1.578 -2.964 7.471 675 HD21 LEU 85 3HD2 LEU 85 -1.634 -4.601 6.957 676 HD22 LEU 85 1HD2 LEU 85 -0.612 -5.990 7.348 677 HD23 LEU 85 2HD2 LEU 85 -1.777 -5.373 8.542 678 H ALA 86 H ALA 86 1.086 -7.588 10.393 679 HA ALA 86 HA ALA 86 2.344 -8.046 12.948 680 HB1 ALA 86 1HB ALA 86 2.720 -9.473 10.281 681 HB2 ALA 86 2HB ALA 86 3.181 -10.089 11.882 682 HB3 ALA 86 3HB ALA 86 1.467 -9.855 11.485 683 H THR 87 H THR 87 4.548 -8.104 13.478 684 HA THR 87 HA THR 87 6.221 -6.049 12.652 685 HB THR 87 HB THR 87 7.168 -8.732 13.697 686 HG1 THR 87 1HG THR 87 6.722 -7.876 15.740 687 HG21 THR 87 1HG2 THR 87 8.208 -5.887 14.121 688 HG22 THR 87 2HG2 THR 87 8.837 -7.342 14.929 689 HG23 THR 87 3HG2 THR 87 9.011 -7.163 13.179 690 H GLU 88 H GLU 88 6.176 -9.405 11.365 691 HA GLU 88 HA GLU 88 8.499 -9.095 9.715 692 HB2 GLU 88 2HB GLU 88 7.814 -11.151 8.651 693 HB3 GLU 88 3HB GLU 88 7.651 -11.265 10.402 694 HG2 GLU 88 2HG GLU 88 5.175 -10.847 10.156 695 HG3 GLU 88 3HG GLU 88 5.381 -10.865 8.403 696 H ASP 89 H ASP 89 5.102 -8.230 9.103 697 HA ASP 89 HA ASP 89 5.610 -7.622 6.259 698 HB2 ASP 89 2HB ASP 89 3.240 -7.098 8.088 699 HB3 ASP 89 3HB ASP 89 3.318 -6.598 6.402 700 H LYS 90 H LYS 90 5.314 -5.812 9.325 701 HA LYS 90 HA LYS 90 5.658 -3.172 8.258 702 HB2 LYS 90 2HB LYS 90 6.288 -4.409 10.967 703 HB3 LYS 90 3HB LYS 90 6.511 -2.684 10.631 704 HG2 LYS 90 2HG LYS 90 4.222 -2.315 10.216 705 HG3 LYS 90 3HG LYS 90 3.873 -4.034 10.038 706 HD2 LYS 90 2HD LYS 90 2.947 -3.256 12.096 707 HD3 LYS 90 3HD LYS 90 4.233 -4.424 12.420 708 HE2 LYS 90 2HE LYS 90 5.772 -2.580 13.002 709 HE3 LYS 90 3HE LYS 90 4.524 -1.397 12.587 710 HZ1 LYS 90 3HZ LYS 90 3.131 -2.358 14.372 711 HZ2 LYS 90 1HZ LYS 90 4.315 -3.415 14.765 712 HZ3 LYS 90 2HZ LYS 90 4.555 -1.816 14.985 713 H GLU 91 H GLU 91 8.096 -5.572 9.292 714 HA GLU 91 HA GLU 91 10.377 -3.938 8.572 715 HB2 GLU 91 2HB GLU 91 9.979 -6.938 8.875 716 HB3 GLU 91 3HB GLU 91 11.524 -6.230 8.425 717 HG2 GLU 91 2HG GLU 91 10.018 -5.593 10.995 718 HG3 GLU 91 3HG GLU 91 11.343 -6.742 10.850 719 H ALA 92 H ALA 92 8.672 -6.555 6.723 720 HA ALA 92 HA ALA 92 10.335 -6.399 4.469 721 HB1 ALA 92 1HB ALA 92 7.418 -7.242 4.659 722 HB2 ALA 92 2HB ALA 92 8.536 -7.642 3.333 723 HB3 ALA 92 3HB ALA 92 8.841 -8.268 4.964 724 H LEU 93 H LEU 93 7.361 -4.474 5.084 725 HA LEU 93 HA LEU 93 7.249 -3.250 2.484 726 HB2 LEU 93 2HB LEU 93 6.266 -2.421 5.237 727 HB3 LEU 93 3HB LEU 93 5.929 -1.479 3.788 728 HG LEU 93 HG LEU 93 5.086 -4.392 4.099 729 HD11 LEU 93 1HD1 LEU 93 3.475 -1.838 4.519 730 HD12 LEU 93 2HD1 LEU 93 2.847 -3.501 4.575 731 HD13 LEU 93 3HD1 LEU 93 4.003 -2.961 5.797 732 HD21 LEU 93 3HD2 LEU 93 4.226 -2.220 2.147 733 HD22 LEU 93 1HD2 LEU 93 5.221 -3.643 1.758 734 HD23 LEU 93 2HD2 LEU 93 3.540 -3.856 2.258 735 H LYS 94 H LYS 94 8.989 -2.297 5.480 736 HA LYS 94 HA LYS 94 10.189 0.083 4.308 737 HB2 LYS 94 2HB LYS 94 11.055 -1.658 6.644 738 HB3 LYS 94 3HB LYS 94 11.817 -0.134 6.195 739 HG2 LYS 94 2HG LYS 94 9.727 1.095 6.599 740 HG3 LYS 94 3HG LYS 94 8.896 -0.398 7.034 741 HD2 LYS 94 2HD LYS 94 11.277 0.818 8.507 742 HD3 LYS 94 3HD LYS 94 9.586 0.873 9.031 743 HE2 LYS 94 2HE LYS 94 9.534 -1.601 9.177 744 HE3 LYS 94 3HE LYS 94 11.222 -1.670 8.665 745 HZ1 LYS 94 3HZ LYS 94 11.797 -0.415 10.691 746 HZ2 LYS 94 1HZ LYS 94 10.232 -0.488 11.197 747 HZ3 LYS 94 2HZ LYS 94 11.116 -1.863 11.004 748 H LYS 95 H LYS 95 11.240 -3.338 4.550 749 HA LYS 95 HA LYS 95 13.846 -2.902 3.497 750 HB2 LYS 95 2HB LYS 95 12.212 -5.437 3.060 751 HB3 LYS 95 3HB LYS 95 13.944 -5.257 2.856 752 HG2 LYS 95 2HG LYS 95 12.371 -5.557 5.354 753 HG3 LYS 95 3HG LYS 95 13.833 -6.350 4.847 754 HD2 LYS 95 2HD LYS 95 15.184 -4.373 5.416 755 HD3 LYS 95 3HD LYS 95 13.707 -3.454 5.809 756 HE2 LYS 95 2HE LYS 95 13.107 -5.200 7.486 757 HE3 LYS 95 3HE LYS 95 14.666 -5.984 7.215 758 HZ1 LYS 95 3HZ LYS 95 14.438 -3.159 8.089 759 HZ2 LYS 95 1HZ LYS 95 14.488 -4.402 9.141 760 HZ3 LYS 95 2HZ LYS 95 15.778 -4.101 8.144 761 H GLN 96 H GLN 96 10.842 -3.070 1.736 762 HA GLN 96 HA GLN 96 12.237 -3.012 -0.890 763 HB2 GLN 96 2HB GLN 96 9.280 -3.069 -0.182 764 HB3 GLN 96 3HB GLN 96 9.947 -3.125 -1.813 765 HG2 GLN 96 2HG GLN 96 10.418 -5.242 0.331 766 HG3 GLN 96 3HG GLN 96 9.236 -5.348 -0.960 767 HE21 GLN 96 2HE2 GLN 96 11.095 -7.380 -0.702 768 HE22 GLN 96 1HE2 GLN 96 12.227 -7.279 -2.043 769 H LEU 97 H LEU 97 10.505 -0.845 1.313 770 HA LEU 97 HA LEU 97 11.304 1.481 -0.339 771 HB2 LEU 97 2HB LEU 97 9.122 0.785 -1.103 772 HB3 LEU 97 3HB LEU 97 8.469 0.795 0.530 773 HG LEU 97 HG LEU 97 8.411 3.162 0.628 774 HD11 LEU 97 1HD1 LEU 97 10.223 3.192 -1.816 775 HD12 LEU 97 2HD1 LEU 97 9.371 4.621 -1.175 776 HD13 LEU 97 3HD1 LEU 97 10.593 3.813 -0.191 777 HD21 LEU 97 3HD2 LEU 97 7.801 2.326 -2.240 778 HD22 LEU 97 1HD2 LEU 97 6.736 2.115 -0.835 779 HD23 LEU 97 2HD2 LEU 97 7.142 3.740 -1.401 780 HA PRO 98 HA PRO 98 11.882 2.221 4.156 781 HB2 PRO 98 2HB PRO 98 14.623 2.457 4.261 782 HB3 PRO 98 3HB PRO 98 13.738 0.922 4.324 783 HG2 PRO 98 2HG PRO 98 15.339 2.039 2.085 784 HG3 PRO 98 3HG PRO 98 14.838 0.350 2.399 785 HD2 PRO 98 2HD PRO 98 13.636 2.293 0.603 786 HD3 PRO 98 3HD PRO 98 13.202 0.585 0.865 787 H GLY 99 H GLY 99 12.401 4.175 5.364 788 HA2 GLY 99 2HA GLY 99 14.098 6.269 4.466 789 HA3 GLY 99 3HA GLY 99 12.425 6.705 4.131 790 H VAL 100 H VAL 100 12.544 8.394 5.605 791 HA VAL 100 HA VAL 100 12.368 9.532 7.555 792 HB VAL 100 HB VAL 100 10.688 7.168 8.276 793 HG11 VAL 100 1HG1 VAL 100 9.199 8.846 9.319 794 HG12 VAL 100 2HG1 VAL 100 10.814 8.952 10.016 795 HG13 VAL 100 3HG1 VAL 100 10.302 10.148 8.808 796 HG21 VAL 100 3HG2 VAL 100 8.837 8.229 7.004 797 HG22 VAL 100 1HG2 VAL 100 9.996 9.441 6.389 798 HG23 VAL 100 2HG2 VAL 100 10.158 7.732 5.953 799 H LYS 101 H LYS 101 14.502 9.331 8.172 800 HA LYS 101 HA LYS 101 15.419 7.372 10.126 801 HB2 LYS 101 2HB LYS 101 16.734 9.803 8.860 802 HB3 LYS 101 3HB LYS 101 17.495 8.867 10.148 803 HG2 LYS 101 2HG LYS 101 17.079 6.774 8.742 804 HG3 LYS 101 3HG LYS 101 16.710 7.861 7.391 805 HD2 LYS 101 2HD LYS 101 18.973 8.816 7.498 806 HD3 LYS 101 3HD LYS 101 19.289 7.972 9.024 807 HE2 LYS 101 2HE LYS 101 18.686 5.814 7.607 808 HE3 LYS 101 3HE LYS 101 19.125 6.833 6.228 809 HZ1 LYS 101 3HZ LYS 101 20.992 5.534 7.132 810 HZ2 LYS 101 1HZ LYS 101 21.314 7.145 7.288 811 HZ3 LYS 101 2HZ LYS 101 20.838 6.251 8.591 812 H SER 102 H SER 102 13.399 8.032 11.395 813 HA SER 102 HA SER 102 13.897 9.919 13.587 814 HB2 SER 102 2HB SER 102 11.639 9.067 12.972 815 HB3 SER 102 3HB SER 102 12.134 7.439 13.475 816 HG SER 102 HG SER 102 11.025 8.563 15.139 817 H GLU 103 H GLU 103 14.622 6.503 12.911 818 HA GLU 103 HA GLU 103 16.034 6.147 15.493 819 HB2 GLU 103 2HB GLU 103 14.372 4.516 14.587 820 HB3 GLU 103 3HB GLU 103 15.481 4.159 13.260 821 HG2 GLU 103 2HG GLU 103 17.112 3.224 14.793 822 HG3 GLU 103 3HG GLU 103 16.234 3.846 16.196 823 H GLY 104 H GLY 104 16.891 7.074 12.318 824 HA2 GLY 104 2HA GLY 104 18.929 7.698 11.428 825 HA3 GLY 104 3HA GLY 104 19.693 7.235 12.940 826 H LYS 105 H LYS 105 19.133 4.502 13.004 827 HA LYS 105 HA LYS 105 21.185 3.517 11.172 828 HB2 LYS 105 2HB LYS 105 20.859 3.132 13.715 829 HB3 LYS 105 3HB LYS 105 19.657 1.924 13.259 830 HG2 LYS 105 2HG LYS 105 21.445 0.697 11.985 831 HG3 LYS 105 3HG LYS 105 22.609 1.951 12.463 832 HD2 LYS 105 2HD LYS 105 22.050 1.423 14.882 833 HD3 LYS 105 3HD LYS 105 21.083 0.060 14.317 834 HE2 LYS 105 2HE LYS 105 24.085 0.461 13.902 835 HE3 LYS 105 3HE LYS 105 23.334 -0.599 15.097 836 HZ1 LYS 105 3HZ LYS 105 22.318 -1.808 13.155 837 HZ2 LYS 105 1HZ LYS 105 23.282 -0.921 12.148 838 HZ3 LYS 105 2HZ LYS 105 23.947 -1.920 13.239 839 H ARG 106 H ARG 106 17.779 3.497 11.028 840 HA ARG 106 HA ARG 106 17.431 0.845 9.999 841 HB2 ARG 106 2HB ARG 106 15.138 1.211 10.104 842 HB3 ARG 106 3HB ARG 106 15.830 2.083 11.466 843 HG2 ARG 106 2HG ARG 106 15.597 4.234 10.170 844 HG3 ARG 106 3HG ARG 106 14.899 3.308 8.829 845 HD2 ARG 106 2HD ARG 106 13.242 2.424 10.697 846 HD3 ARG 106 3HD ARG 106 13.706 3.914 11.536 847 HE ARG 106 HE ARG 106 13.094 4.881 9.071 848 HH11 ARG 106 1HH2 ARG 106 11.101 2.882 11.179 849 HH12 ARG 106 2HH2 ARG 106 9.716 3.104 10.122 850 HH21 ARG 106 1HH1 ARG 106 11.336 5.062 7.884 851 HH22 ARG 106 2HH1 ARG 106 9.840 4.218 8.324 852 H LYS 107 H LYS 107 18.766 3.119 8.222 853 HA LYS 107 HA LYS 107 18.080 1.741 5.729 854 HB2 LYS 107 2HB LYS 107 16.423 3.584 5.789 855 HB3 LYS 107 3HB LYS 107 17.722 4.766 5.937 856 HG2 LYS 107 2HG LYS 107 18.592 4.106 3.709 857 HG3 LYS 107 3HG LYS 107 17.323 2.869 3.579 858 HD2 LYS 107 2HD LYS 107 15.603 4.660 3.744 859 HD3 LYS 107 3HD LYS 107 16.867 5.888 3.798 860 HE2 LYS 107 2HE LYS 107 16.423 3.921 1.498 861 HE3 LYS 107 3HE LYS 107 15.763 5.555 1.551 862 HZ1 LYS 107 3HZ LYS 107 18.054 6.410 1.634 863 HZ2 LYS 107 1HZ LYS 107 18.664 4.894 1.541 864 HZ3 LYS 107 2HZ LYS 107 17.822 5.512 0.293 865 H GLY 108 H GLY 108 19.787 1.622 4.355 866 HA2 GLY 108 2HA GLY 108 21.852 1.995 3.415 867 HA3 GLY 108 3HA GLY 108 22.074 3.419 4.441 868 H ASP 109 H ASP 109 21.382 0.847 6.456 869 HA ASP 109 HA ASP 109 24.201 -0.103 6.703 870 HB2 ASP 109 2HB ASP 109 23.501 1.594 8.442 871 HB3 ASP 109 3HB ASP 109 22.265 0.457 8.975 872 H GLU 110 H GLU 110 21.737 -1.162 5.322 873 HA GLU 110 HA GLU 110 21.684 -3.890 6.485 874 HB2 GLU 110 2HB GLU 110 19.185 -2.351 5.649 875 HB3 GLU 110 3HB GLU 110 19.268 -4.017 6.227 876 HG2 GLU 110 2HG GLU 110 20.195 -3.109 8.420 877 HG3 GLU 110 3HG GLU 110 19.849 -1.481 7.805 878 H VAL 111 H VAL 111 20.874 -5.519 5.013 879 HA VAL 111 HA VAL 111 21.015 -6.674 3.091 880 HB VAL 111 HB VAL 111 19.756 -4.369 1.600 881 HG11 VAL 111 1HG1 VAL 111 20.217 -6.502 0.356 882 HG12 VAL 111 2HG1 VAL 111 19.281 -7.393 1.569 883 HG13 VAL 111 3HG1 VAL 111 18.490 -6.194 0.524 884 HG21 VAL 111 3HG2 VAL 111 18.378 -6.205 3.609 885 HG22 VAL 111 1HG2 VAL 111 18.503 -4.432 3.696 886 HG23 VAL 111 2HG2 VAL 111 17.544 -5.175 2.424 887 H ASP 112 H ASP 112 23.393 -5.623 3.710 888 HA ASP 112 HA ASP 112 24.736 -4.401 1.415 889 HB2 ASP 112 2HB ASP 112 25.363 -3.833 3.709 890 HB3 ASP 112 3HB ASP 112 25.796 -5.508 4.036 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -2.802 13.077 27.923 2 H2 GLY 1 H2 GLY 1 -1.854 14.296 28.467 3 H3 GLY 1 H3 GLY 1 -1.701 12.794 29.105 4 HA2 GLY 1 2HA GLY 1 0.124 13.239 27.601 5 HA3 GLY 1 3HA GLY 1 -0.894 11.904 27.030 6 H SER 2 H SER 2 0.855 13.685 25.474 7 HA SER 2 HA SER 2 -0.837 15.454 23.891 8 HB2 SER 2 2HB SER 2 1.201 15.686 22.492 9 HB3 SER 2 3HB SER 2 1.461 16.049 24.205 10 HG SER 2 HG SER 2 3.124 14.718 23.332 11 H LYS 3 H LYS 3 -1.146 15.246 21.597 12 HA LYS 3 HA LYS 3 -1.637 12.436 20.667 13 HB2 LYS 3 2HB LYS 3 -3.146 15.025 20.203 14 HB3 LYS 3 3HB LYS 3 -3.188 13.747 19.006 15 HG2 LYS 3 2HG LYS 3 -5.116 13.526 20.387 16 HG3 LYS 3 3HG LYS 3 -4.066 12.137 20.607 17 HD2 LYS 3 2HD LYS 3 -5.083 12.804 22.707 18 HD3 LYS 3 3HD LYS 3 -3.335 12.998 22.800 19 HE2 LYS 3 2HE LYS 3 -3.588 15.444 22.388 20 HE3 LYS 3 3HE LYS 3 -5.337 15.238 22.237 21 HZ1 LYS 3 3HZ LYS 3 -5.390 14.495 24.551 22 HZ2 LYS 3 1HZ LYS 3 -3.767 14.651 24.699 23 HZ3 LYS 3 2HZ LYS 3 -4.706 15.973 24.471 24 H ALA 4 H ALA 4 -1.129 11.842 18.607 25 HA ALA 4 HA ALA 4 0.365 13.602 16.794 26 HB1 ALA 4 1HB ALA 4 2.119 12.782 18.349 27 HB2 ALA 4 2HB ALA 4 1.626 11.105 18.025 28 HB3 ALA 4 3HB ALA 4 2.332 12.096 16.730 29 H GLU 5 H GLU 5 0.879 12.458 14.728 30 HA GLU 5 HA GLU 5 -0.891 10.132 14.108 31 HB2 GLU 5 2HB GLU 5 -0.624 12.675 12.457 32 HB3 GLU 5 3HB GLU 5 -1.391 11.179 11.909 33 HG2 GLU 5 2HG GLU 5 -3.032 11.343 13.779 34 HG3 GLU 5 3HG GLU 5 -2.310 12.877 14.270 35 H LYS 6 H LYS 6 -0.074 8.639 12.733 36 HA LYS 6 HA LYS 6 2.815 8.612 12.327 37 HB2 LYS 6 2HB LYS 6 1.326 6.654 13.047 38 HB3 LYS 6 3HB LYS 6 0.689 6.626 11.406 39 HG2 LYS 6 2HG LYS 6 2.310 4.956 11.412 40 HG3 LYS 6 3HG LYS 6 3.134 6.298 10.621 41 HD2 LYS 6 2HD LYS 6 4.127 6.876 12.930 42 HD3 LYS 6 3HD LYS 6 3.450 5.354 13.508 43 HE2 LYS 6 2HE LYS 6 5.573 5.775 11.367 44 HE3 LYS 6 3HE LYS 6 5.789 5.044 12.960 45 HZ1 LYS 6 3HZ LYS 6 4.253 3.930 10.688 46 HZ2 LYS 6 1HZ LYS 6 5.662 3.374 11.240 47 HZ3 LYS 6 2HZ LYS 6 4.296 3.212 12.182 48 H THR 7 H THR 7 0.011 8.859 10.220 49 HA THR 7 HA THR 7 1.435 8.300 7.802 50 HB THR 7 HB THR 7 -1.359 9.427 8.041 51 HG1 THR 7 1HG THR 7 -2.060 7.559 8.732 52 HG21 THR 7 1HG2 THR 7 -0.593 7.154 6.221 53 HG22 THR 7 2HG2 THR 7 -1.868 8.386 6.040 54 HG23 THR 7 3HG2 THR 7 -0.197 8.768 5.713 55 H LEU 8 H LEU 8 1.858 9.612 5.975 56 HA LEU 8 HA LEU 8 1.962 12.498 6.330 57 HB2 LEU 8 2HB LEU 8 2.978 12.651 4.333 58 HB3 LEU 8 3HB LEU 8 3.387 10.999 4.755 59 HG LEU 8 HG LEU 8 1.194 11.895 2.815 60 HD11 LEU 8 1HD1 LEU 8 3.811 10.487 2.243 61 HD12 LEU 8 2HD1 LEU 8 2.597 11.015 1.066 62 HD13 LEU 8 3HD1 LEU 8 3.511 12.220 1.989 63 HD21 LEU 8 3HD2 LEU 8 2.151 9.117 3.586 64 HD22 LEU 8 1HD2 LEU 8 0.530 9.758 3.820 65 HD23 LEU 8 2HD2 LEU 8 1.111 9.473 2.184 66 H GLY 9 H GLY 9 -0.722 10.521 5.613 67 HA2 GLY 9 2HA GLY 9 -2.942 11.240 5.534 68 HA3 GLY 9 3HA GLY 9 -2.437 12.852 5.050 69 H ASP 10 H ASP 10 -1.201 10.116 3.150 70 HA ASP 10 HA ASP 10 -3.124 10.758 0.972 71 HB2 ASP 10 2HB ASP 10 -0.391 11.597 1.142 72 HB3 ASP 10 3HB ASP 10 -0.444 10.290 -0.038 73 H PHE 11 H PHE 11 -1.440 8.185 2.620 74 HA PHE 11 HA PHE 11 -2.680 6.271 0.805 75 HB2 PHE 11 2HB PHE 11 -0.399 5.052 0.531 76 HB3 PHE 11 3HB PHE 11 -0.881 6.323 -0.526 77 HD1 PHE 11 HD1 PHE 11 1.124 6.127 2.715 78 HD2 PHE 11 HD2 PHE 11 0.719 7.732 -1.271 79 HE1 PHE 11 HE1 PHE 11 3.407 7.059 2.849 80 HE2 PHE 11 HE2 PHE 11 2.967 8.752 -1.083 81 HZ PHE 11 HZ PHE 11 4.323 8.389 0.966 82 H ALA 12 H ALA 12 -2.639 4.073 1.505 83 HA ALA 12 HA ALA 12 -2.577 3.787 4.475 84 HB1 ALA 12 1HB ALA 12 -4.817 4.508 3.569 85 HB2 ALA 12 2HB ALA 12 -4.857 3.013 2.628 86 HB3 ALA 12 3HB ALA 12 -4.844 2.931 4.396 87 H ALA 13 H ALA 13 -2.710 1.612 5.294 88 HA ALA 13 HA ALA 13 -2.071 -0.612 3.426 89 HB1 ALA 13 1HB ALA 13 -0.553 0.121 5.975 90 HB2 ALA 13 2HB ALA 13 -0.221 -1.259 4.896 91 HB3 ALA 13 3HB ALA 13 0.019 0.404 4.321 92 H GLU 14 H GLU 14 -3.020 -2.525 3.950 93 HA GLU 14 HA GLU 14 -4.167 -3.037 6.645 94 HB2 GLU 14 2HB GLU 14 -5.776 -3.250 4.061 95 HB3 GLU 14 3HB GLU 14 -6.314 -3.689 5.685 96 HG2 GLU 14 2HG GLU 14 -6.110 -1.279 6.349 97 HG3 GLU 14 3HG GLU 14 -5.834 -0.887 4.641 98 H TYR 15 H TYR 15 -4.889 -5.368 6.819 99 HA TYR 15 HA TYR 15 -3.926 -7.201 4.688 100 HB2 TYR 15 2HB TYR 15 -5.813 -7.769 6.981 101 HB3 TYR 15 3HB TYR 15 -5.056 -8.942 5.913 102 HD1 TYR 15 HD2 TYR 15 -2.174 -7.685 5.994 103 HD2 TYR 15 HD1 TYR 15 -5.085 -8.660 9.036 104 HE1 TYR 15 HE2 TYR 15 -0.345 -8.060 7.632 105 HE2 TYR 15 HE1 TYR 15 -3.259 -9.005 10.670 106 HH TYR 15 HH TYR 15 -1.033 -9.081 11.004 107 H ALA 16 H ALA 16 -5.174 -7.918 3.066 108 HA ALA 16 HA ALA 16 -7.483 -6.527 2.200 109 HB1 ALA 16 1HB ALA 16 -6.365 -9.233 1.481 110 HB2 ALA 16 2HB ALA 16 -7.563 -8.342 0.506 111 HB3 ALA 16 3HB ALA 16 -5.920 -7.692 0.732 112 H LYS 17 H LYS 17 -9.400 -6.509 3.155 113 HA LYS 17 HA LYS 17 -10.277 -8.510 5.039 114 HB2 LYS 17 2HB LYS 17 -11.838 -6.183 3.836 115 HB3 LYS 17 3HB LYS 17 -12.218 -7.037 5.328 116 HG2 LYS 17 2HG LYS 17 -9.775 -5.272 4.846 117 HG3 LYS 17 3HG LYS 17 -11.216 -4.850 5.764 118 HD2 LYS 17 2HD LYS 17 -10.724 -6.630 7.409 119 HD3 LYS 17 3HD LYS 17 -9.258 -7.074 6.502 120 HE2 LYS 17 2HE LYS 17 -8.312 -4.846 6.835 121 HE3 LYS 17 3HE LYS 17 -9.791 -4.296 7.635 122 HZ1 LYS 17 3HZ LYS 17 -9.370 -5.911 9.406 123 HZ2 LYS 17 1HZ LYS 17 -8.007 -6.436 8.675 124 HZ3 LYS 17 2HZ LYS 17 -8.091 -4.912 9.259 125 H SER 18 H SER 18 -10.889 -8.165 1.660 126 HA SER 18 HA SER 18 -12.368 -10.691 1.650 127 HB2 SER 18 2HB SER 18 -14.128 -8.879 1.838 128 HB3 SER 18 3HB SER 18 -13.596 -8.291 0.246 129 HG SER 18 HG SER 18 -15.373 -9.863 0.249 130 H ASN 19 H ASN 19 -12.518 -11.590 -0.529 131 HA ASN 19 HA ASN 19 -10.064 -11.077 -2.072 132 HB2 ASN 19 2HB ASN 19 -11.122 -13.372 -1.284 133 HB3 ASN 19 3HB ASN 19 -12.135 -13.202 -2.705 134 HD21 ASN 19 2HD2 ASN 19 -9.235 -14.507 -1.602 135 HD22 ASN 19 1HD2 ASN 19 -8.324 -14.465 -3.117 136 H ARG 20 H ARG 20 -11.437 -8.872 -2.309 137 HA ARG 20 HA ARG 20 -12.909 -8.870 -4.924 138 HB2 ARG 20 2HB ARG 20 -13.853 -7.711 -2.264 139 HB3 ARG 20 3HB ARG 20 -14.641 -7.406 -3.807 140 HG2 ARG 20 2HG ARG 20 -14.373 -10.153 -2.510 141 HG3 ARG 20 3HG ARG 20 -15.801 -9.123 -2.470 142 HD2 ARG 20 2HD ARG 20 -16.008 -9.230 -4.911 143 HD3 ARG 20 3HD ARG 20 -14.557 -10.217 -5.032 144 HE ARG 20 HE ARG 20 -17.215 -11.047 -4.031 145 HH11 ARG 20 1HH2 ARG 20 -13.871 -12.077 -4.506 146 HH12 ARG 20 2HH2 ARG 20 -14.325 -13.762 -4.472 147 HH21 ARG 20 1HH1 ARG 20 -17.667 -13.206 -3.938 148 HH22 ARG 20 2HH1 ARG 20 -16.393 -14.376 -4.113 149 H SER 21 H SER 21 -10.726 -7.098 -2.855 150 HA SER 21 HA SER 21 -10.833 -4.658 -4.472 151 HB2 SER 21 2HB SER 21 -8.514 -4.307 -3.359 152 HB3 SER 21 3HB SER 21 -9.985 -4.195 -2.395 153 HG SER 21 HG SER 21 -8.358 -6.533 -2.561 154 H THR 22 H THR 22 -9.092 -3.976 -5.922 155 HA THR 22 HA THR 22 -7.637 -6.193 -7.295 156 HB THR 22 HB THR 22 -9.250 -4.069 -8.720 157 HG1 THR 22 1HG THR 22 -10.627 -5.763 -9.284 158 HG21 THR 22 1HG2 THR 22 -8.836 -5.367 -10.756 159 HG22 THR 22 2HG2 THR 22 -7.296 -4.890 -10.040 160 HG23 THR 22 3HG2 THR 22 -7.892 -6.554 -9.841 161 H CYS 23 HN CYS 23 -5.633 -5.677 -7.896 162 HA CYS 23 HA CYS 23 -4.497 -3.222 -6.930 163 HB2 CYS 23 2HB CYS 23 -3.315 -5.266 -6.674 164 HB3 CYS 23 3HB CYS 23 -3.563 -5.688 -8.367 165 H LYS 24 H LYS 24 -4.664 -1.360 -8.046 166 HA LYS 24 HA LYS 24 -4.885 -1.234 -10.973 167 HB2 LYS 24 2HB LYS 24 -4.916 0.666 -8.674 168 HB3 LYS 24 3HB LYS 24 -4.243 1.308 -10.165 169 HG2 LYS 24 2HG LYS 24 -6.606 1.766 -10.159 170 HG3 LYS 24 3HG LYS 24 -6.209 0.633 -11.436 171 HD2 LYS 24 2HD LYS 24 -8.264 -0.094 -10.505 172 HD3 LYS 24 3HD LYS 24 -7.062 -1.241 -9.913 173 HE2 LYS 24 2HE LYS 24 -6.935 0.115 -7.772 174 HE3 LYS 24 3HE LYS 24 -8.238 1.141 -8.413 175 HZ1 LYS 24 3HZ LYS 24 -9.590 -0.954 -8.575 176 HZ2 LYS 24 1HZ LYS 24 -8.392 -1.735 -7.748 177 HZ3 LYS 24 2HZ LYS 24 -9.238 -0.524 -7.041 178 H GLY 25 H GLY 25 -2.238 -1.860 -9.002 179 HA2 GLY 25 2HA GLY 25 -0.186 -0.506 -10.581 180 HA3 GLY 25 3HA GLY 25 0.045 -1.748 -9.351 181 H CYS 26 HN CYS 26 -1.700 -3.700 -10.710 182 HA CYS 26 HA CYS 26 -0.321 -4.164 -13.300 183 HB2 CYS 26 2HB CYS 26 0.225 -6.437 -12.803 184 HB3 CYS 26 3HB CYS 26 0.956 -5.387 -11.589 185 H MET 27 H MET 27 -3.289 -4.003 -11.825 186 HA MET 27 HA MET 27 -5.370 -4.512 -12.362 187 HB2 MET 27 2HB MET 27 -4.540 -3.609 -14.643 188 HB3 MET 27 3HB MET 27 -4.590 -5.288 -15.167 189 HG2 MET 27 2HG MET 27 -6.705 -4.768 -15.741 190 HG3 MET 27 3HG MET 27 -7.066 -5.114 -14.059 191 HE1 MET 27 3HE MET 27 -7.274 -3.106 -12.172 192 HE2 MET 27 1HE MET 27 -5.754 -2.333 -12.692 193 HE3 MET 27 2HE MET 27 -7.249 -1.380 -12.598 194 H GLU 28 H GLU 28 -4.318 -6.325 -10.830 195 HA GLU 28 HA GLU 28 -5.765 -8.776 -11.681 196 HB2 GLU 28 2HB GLU 28 -3.019 -8.832 -10.367 197 HB3 GLU 28 3HB GLU 28 -4.122 -10.199 -10.502 198 HG2 GLU 28 2HG GLU 28 -4.101 -9.870 -13.023 199 HG3 GLU 28 3HG GLU 28 -2.796 -8.701 -12.788 200 H LYS 29 H LYS 29 -6.706 -9.966 -9.967 201 HA LYS 29 HA LYS 29 -7.711 -8.152 -7.968 202 HB2 LYS 29 2HB LYS 29 -9.268 -9.879 -7.355 203 HB3 LYS 29 3HB LYS 29 -9.192 -9.644 -9.087 204 HG2 LYS 29 2HG LYS 29 -9.237 -11.896 -9.095 205 HG3 LYS 29 3HG LYS 29 -7.487 -11.721 -8.987 206 HD2 LYS 29 2HD LYS 29 -7.623 -12.083 -6.515 207 HD3 LYS 29 3HD LYS 29 -9.392 -12.149 -6.642 208 HE2 LYS 29 2HE LYS 29 -9.183 -14.092 -8.194 209 HE3 LYS 29 3HE LYS 29 -7.426 -14.071 -7.971 210 HZ1 LYS 29 3HZ LYS 29 -8.625 -15.657 -6.477 211 HZ2 LYS 29 1HZ LYS 29 -7.747 -14.561 -5.629 212 HZ3 LYS 29 2HZ LYS 29 -9.350 -14.373 -5.733 213 H ILE 30 H ILE 30 -7.376 -7.940 -5.900 214 HA ILE 30 HA ILE 30 -4.934 -9.066 -4.776 215 HB ILE 30 HB ILE 30 -6.966 -7.021 -3.883 216 HG12 ILE 30 2HG1 ILE 30 -3.982 -6.708 -4.414 217 HG13 ILE 30 3HG1 ILE 30 -5.170 -6.590 -5.702 218 HG21 ILE 30 1HG2 ILE 30 -5.647 -6.504 -1.934 219 HG22 ILE 30 2HG2 ILE 30 -6.172 -8.173 -1.821 220 HG23 ILE 30 3HG2 ILE 30 -4.495 -7.812 -2.298 221 HD11 ILE 30 3HD1 ILE 30 -4.583 -4.379 -4.959 222 HD12 ILE 30 1HD1 ILE 30 -6.274 -4.701 -4.556 223 HD13 ILE 30 2HD1 ILE 30 -5.022 -4.753 -3.285 224 H GLU 31 H GLU 31 -4.715 -10.683 -3.401 225 HA GLU 31 HA GLU 31 -6.923 -12.461 -2.808 226 HB2 GLU 31 2HB GLU 31 -3.985 -12.432 -2.028 227 HB3 GLU 31 3HB GLU 31 -5.087 -13.715 -1.539 228 HG2 GLU 31 2HG GLU 31 -4.618 -13.008 -4.463 229 HG3 GLU 31 3HG GLU 31 -3.594 -14.120 -3.562 230 H LYS 32 H LYS 32 -7.938 -12.844 -0.957 231 HA LYS 32 HA LYS 32 -8.036 -10.960 1.220 232 HB2 LYS 32 2HB LYS 32 -9.908 -12.444 0.499 233 HB3 LYS 32 3HB LYS 32 -9.033 -13.839 1.135 234 HG2 LYS 32 2HG LYS 32 -9.145 -12.851 3.420 235 HG3 LYS 32 3HG LYS 32 -9.995 -11.439 2.760 236 HD2 LYS 32 2HD LYS 32 -11.854 -12.906 2.045 237 HD3 LYS 32 3HD LYS 32 -10.977 -14.321 2.666 238 HE2 LYS 32 2HE LYS 32 -11.009 -13.350 4.946 239 HE3 LYS 32 3HE LYS 32 -11.867 -11.929 4.342 240 HZ1 LYS 32 3HZ LYS 32 -13.721 -13.389 3.728 241 HZ2 LYS 32 1HZ LYS 32 -12.926 -14.707 4.282 242 HZ3 LYS 32 2HZ LYS 32 -13.397 -13.540 5.318 243 H GLY 33 H GLY 33 -7.332 -11.100 3.331 244 HA2 GLY 33 2HA GLY 33 -6.193 -11.804 5.200 245 HA3 GLY 33 3HA GLY 33 -6.017 -13.393 4.455 246 H GLN 34 H GLN 34 -4.645 -10.980 2.499 247 HA GLN 34 HA GLN 34 -1.990 -11.019 3.818 248 HB2 GLN 34 2HB GLN 34 -0.833 -11.381 1.726 249 HB3 GLN 34 3HB GLN 34 -1.883 -12.725 2.122 250 HG2 GLN 34 2HG GLN 34 -2.090 -12.445 -0.209 251 HG3 GLN 34 3HG GLN 34 -3.580 -11.810 0.460 252 HE21 GLN 34 1HE2 GLN 34 -4.133 -9.662 -0.187 253 HE22 GLN 34 2HE2 GLN 34 -2.900 -8.505 -0.719 254 H VAL 35 H VAL 35 -0.547 -9.214 2.769 255 HA VAL 35 HA VAL 35 -1.906 -6.839 3.519 256 HB VAL 35 HB VAL 35 0.822 -7.252 2.277 257 HG11 VAL 35 1HG1 VAL 35 -0.335 -4.712 3.511 258 HG12 VAL 35 2HG1 VAL 35 1.384 -4.995 3.168 259 HG13 VAL 35 3HG1 VAL 35 0.238 -4.920 1.837 260 HG21 VAL 35 3HG2 VAL 35 1.598 -6.868 4.584 261 HG22 VAL 35 1HG2 VAL 35 -0.077 -6.677 5.138 262 HG23 VAL 35 2HG2 VAL 35 0.498 -8.245 4.533 263 H ARG 36 H ARG 36 -2.690 -5.095 2.505 264 HA ARG 36 HA ARG 36 -2.267 -4.711 -0.392 265 HB2 ARG 36 2HB ARG 36 -4.540 -4.142 -0.873 266 HB3 ARG 36 3HB ARG 36 -4.456 -5.790 -0.241 267 HG2 ARG 36 2HG ARG 36 -5.350 -5.087 1.913 268 HG3 ARG 36 3HG ARG 36 -5.272 -3.390 1.443 269 HD2 ARG 36 2HD ARG 36 -6.887 -3.861 -0.427 270 HD3 ARG 36 3HD ARG 36 -7.060 -5.506 0.194 271 HE ARG 36 HE ARG 36 -7.527 -3.369 2.178 272 HH11 ARG 36 1HH2 ARG 36 -9.231 -5.226 -0.304 273 HH12 ARG 36 2HH2 ARG 36 -10.762 -4.899 0.457 274 HH21 ARG 36 1HH1 ARG 36 -9.410 -3.031 3.024 275 HH22 ARG 36 2HH1 ARG 36 -10.888 -3.638 2.287 276 H LEU 37 H LEU 37 -2.055 -2.591 -1.012 277 HA LEU 37 HA LEU 37 -2.197 -0.514 1.123 278 HB2 LEU 37 2HB LEU 37 -0.317 -0.439 -1.254 279 HB3 LEU 37 3HB LEU 37 -0.375 0.612 0.179 280 HG LEU 37 HG LEU 37 1.540 -0.566 0.405 281 HD11 LEU 37 1HD1 LEU 37 1.366 -1.686 2.465 282 HD12 LEU 37 2HD1 LEU 37 0.066 -0.477 2.390 283 HD13 LEU 37 3HD1 LEU 37 -0.308 -2.194 2.159 284 HD21 LEU 37 3HD2 LEU 37 1.866 -2.925 0.318 285 HD22 LEU 37 1HD2 LEU 37 0.158 -3.249 0.003 286 HD23 LEU 37 2HD2 LEU 37 1.131 -2.389 -1.212 287 H SER 38 H SER 38 -2.786 1.652 0.401 288 HA SER 38 HA SER 38 -3.692 1.891 -2.381 289 HB2 SER 38 2HB SER 38 -5.864 2.876 -1.808 290 HB3 SER 38 3HB SER 38 -5.740 1.209 -1.255 291 HG SER 38 HG SER 38 -6.579 2.379 0.423 292 H LYS 39 H LYS 39 -4.131 4.020 -3.094 293 HA LYS 39 HA LYS 39 -2.814 6.248 -1.549 294 HB2 LYS 39 2HB LYS 39 -1.451 5.678 -3.477 295 HB3 LYS 39 3HB LYS 39 -2.874 5.558 -4.497 296 HG2 LYS 39 2HG LYS 39 -2.027 7.493 -5.233 297 HG3 LYS 39 3HG LYS 39 -3.190 8.112 -4.078 298 HD2 LYS 39 2HD LYS 39 -1.392 8.604 -2.487 299 HD3 LYS 39 3HD LYS 39 -0.200 7.847 -3.581 300 HE2 LYS 39 2HE LYS 39 -0.841 9.435 -5.378 301 HE3 LYS 39 3HE LYS 39 -2.019 10.198 -4.296 302 HZ1 LYS 39 3HZ LYS 39 0.900 10.131 -3.786 303 HZ2 LYS 39 1HZ LYS 39 0.101 11.405 -4.429 304 HZ3 LYS 39 2HZ LYS 39 -0.255 10.967 -2.908 305 H LYS 40 H LYS 40 -4.087 7.992 -1.141 306 HA LYS 40 HA LYS 40 -6.796 8.182 -2.328 307 HB2 LYS 40 2HB LYS 40 -6.742 8.540 -0.013 308 HB3 LYS 40 3HB LYS 40 -5.432 9.697 -0.105 309 HG2 LYS 40 2HG LYS 40 -8.114 10.206 -1.521 310 HG3 LYS 40 3HG LYS 40 -7.944 10.473 0.205 311 HD2 LYS 40 2HD LYS 40 -6.556 11.939 -2.036 312 HD3 LYS 40 3HD LYS 40 -7.675 12.576 -0.847 313 HE2 LYS 40 2HE LYS 40 -4.823 11.641 -0.317 314 HE3 LYS 40 3HE LYS 40 -5.335 13.310 -0.488 315 HZ1 LYS 40 3HZ LYS 40 -6.627 13.133 1.516 316 HZ2 LYS 40 1HZ LYS 40 -6.358 11.524 1.655 317 HZ3 LYS 40 2HZ LYS 40 -5.124 12.566 1.851 318 H MET 41 H MET 41 -6.880 8.989 -4.314 319 HA MET 41 HA MET 41 -5.830 11.657 -4.847 320 HB2 MET 41 2HB MET 41 -4.495 11.134 -6.806 321 HB3 MET 41 3HB MET 41 -3.796 10.397 -5.373 322 HG2 MET 41 2HG MET 41 -4.780 8.209 -6.020 323 HG3 MET 41 3HG MET 41 -5.470 8.956 -7.465 324 HE1 MET 41 3HE MET 41 -4.421 7.158 -8.999 325 HE2 MET 41 1HE MET 41 -2.718 6.640 -8.898 326 HE3 MET 41 2HE MET 41 -3.816 6.386 -7.516 327 H VAL 42 H VAL 42 -6.927 12.702 -6.577 328 HA VAL 42 HA VAL 42 -9.166 11.571 -7.831 329 HB VAL 42 HB VAL 42 -7.230 13.616 -8.991 330 HG11 VAL 42 1HG1 VAL 42 -9.181 14.335 -10.377 331 HG12 VAL 42 2HG1 VAL 42 -8.616 12.717 -10.783 332 HG13 VAL 42 3HG1 VAL 42 -10.087 12.921 -9.796 333 HG21 VAL 42 3HG2 VAL 42 -8.192 14.421 -6.878 334 HG22 VAL 42 1HG2 VAL 42 -8.892 15.296 -8.236 335 HG23 VAL 42 2HG2 VAL 42 -9.828 14.014 -7.445 336 H ASP 43 H ASP 43 -9.396 10.007 -9.340 337 HA ASP 43 HA ASP 43 -7.147 8.433 -10.121 338 HB2 ASP 43 2HB ASP 43 -9.462 7.601 -9.756 339 HB3 ASP 43 3HB ASP 43 -9.962 8.404 -11.242 340 HA PRO 44 HA PRO 44 -5.976 11.071 -13.526 341 HB2 PRO 44 2HB PRO 44 -3.862 9.635 -14.558 342 HB3 PRO 44 3HB PRO 44 -3.791 10.504 -12.994 343 HG2 PRO 44 2HG PRO 44 -4.415 7.561 -13.452 344 HG3 PRO 44 3HG PRO 44 -3.222 8.273 -12.314 345 HD2 PRO 44 2HD PRO 44 -5.687 7.538 -11.505 346 HD3 PRO 44 3HD PRO 44 -4.921 9.027 -10.867 347 H GLU 45 H GLU 45 -7.243 7.886 -13.953 348 HA GLU 45 HA GLU 45 -7.530 8.160 -16.919 349 HB2 GLU 45 2HB GLU 45 -7.975 5.791 -15.058 350 HB3 GLU 45 3HB GLU 45 -8.137 5.768 -16.809 351 HG2 GLU 45 2HG GLU 45 -5.781 6.087 -17.143 352 HG3 GLU 45 3HG GLU 45 -5.501 6.484 -15.451 353 H LYS 46 H LYS 46 -9.180 8.686 -14.007 354 HA LYS 46 HA LYS 46 -11.863 8.914 -15.260 355 HB2 LYS 46 2HB LYS 46 -11.209 7.194 -12.841 356 HB3 LYS 46 3HB LYS 46 -12.844 7.709 -13.271 357 HG2 LYS 46 2HG LYS 46 -12.703 6.507 -15.401 358 HG3 LYS 46 3HG LYS 46 -11.083 5.913 -14.981 359 HD2 LYS 46 2HD LYS 46 -13.520 5.498 -13.201 360 HD3 LYS 46 3HD LYS 46 -13.048 4.350 -14.476 361 HE2 LYS 46 2HE LYS 46 -10.785 4.139 -13.408 362 HE3 LYS 46 3HE LYS 46 -11.324 5.183 -12.092 363 HZ1 LYS 46 3HZ LYS 46 -12.514 2.550 -12.791 364 HZ2 LYS 46 1HZ LYS 46 -11.563 2.851 -11.500 365 HZ3 LYS 46 2HZ LYS 46 -13.053 3.515 -11.588 366 HA PRO 47 HA PRO 47 -10.451 12.171 -12.135 367 HB2 PRO 47 2HB PRO 47 -10.830 14.436 -13.697 368 HB3 PRO 47 3HB PRO 47 -9.313 13.496 -13.586 369 HG2 PRO 47 2HG PRO 47 -11.499 13.264 -15.679 370 HG3 PRO 47 3HG PRO 47 -9.721 13.361 -15.929 371 HD2 PRO 47 2HD PRO 47 -10.997 10.993 -15.979 372 HD3 PRO 47 3HD PRO 47 -9.399 11.151 -15.186 373 H GLN 48 H GLN 48 -13.332 11.715 -14.037 374 HA GLN 48 HA GLN 48 -15.095 13.580 -12.765 375 HB2 GLN 48 2HB GLN 48 -15.619 10.908 -14.133 376 HB3 GLN 48 3HB GLN 48 -16.874 12.054 -13.638 377 HG2 GLN 48 2HG GLN 48 -15.876 13.794 -15.109 378 HG3 GLN 48 3HG GLN 48 -14.663 12.637 -15.661 379 HE21 GLN 48 2HE2 GLN 48 -15.978 13.666 -17.699 380 HE22 GLN 48 1HE2 GLN 48 -17.233 12.580 -18.283 381 H LEU 49 H LEU 49 -13.813 10.489 -11.576 382 HA LEU 49 HA LEU 49 -15.725 9.949 -9.516 383 HB2 LEU 49 2HB LEU 49 -12.718 9.578 -9.847 384 HB3 LEU 49 3HB LEU 49 -13.516 9.069 -8.379 385 HG LEU 49 HG LEU 49 -14.394 8.010 -11.088 386 HD11 LEU 49 1HD1 LEU 49 -12.343 6.968 -9.091 387 HD12 LEU 49 2HD1 LEU 49 -12.995 6.029 -10.462 388 HD13 LEU 49 3HD1 LEU 49 -12.042 7.503 -10.742 389 HD21 LEU 49 3HD2 LEU 49 -14.736 7.072 -8.195 390 HD22 LEU 49 1HD2 LEU 49 -16.011 7.757 -9.220 391 HD23 LEU 49 2HD2 LEU 49 -15.299 6.188 -9.637 392 H GLY 50 H GLY 50 -13.210 12.438 -9.667 393 HA2 GLY 50 2HA GLY 50 -12.223 13.759 -8.016 394 HA3 GLY 50 3HA GLY 50 -13.462 13.266 -6.857 395 H MET 51 H MET 51 -11.781 12.858 -5.325 396 HA MET 51 HA MET 51 -9.583 11.164 -5.740 397 HB2 MET 51 2HB MET 51 -10.622 11.852 -2.998 398 HB3 MET 51 3HB MET 51 -8.966 11.624 -3.549 399 HG2 MET 51 2HG MET 51 -9.505 13.763 -5.045 400 HG3 MET 51 3HG MET 51 -10.817 13.994 -3.893 401 HE1 MET 51 3HE MET 51 -7.132 13.062 -4.136 402 HE2 MET 51 1HE MET 51 -7.184 14.718 -4.766 403 HE3 MET 51 2HE MET 51 -6.297 14.375 -3.260 404 H ILE 52 H ILE 52 -9.284 9.035 -5.450 405 HA ILE 52 HA ILE 52 -11.277 7.511 -3.851 406 HB ILE 52 HB ILE 52 -10.818 5.545 -5.332 407 HG12 ILE 52 2HG1 ILE 52 -9.862 7.487 -7.460 408 HG13 ILE 52 3HG1 ILE 52 -8.710 6.688 -6.395 409 HG21 ILE 52 1HG2 ILE 52 -12.463 6.135 -6.973 410 HG22 ILE 52 2HG2 ILE 52 -12.871 6.871 -5.414 411 HG23 ILE 52 3HG2 ILE 52 -12.166 7.876 -6.713 412 HD11 ILE 52 3HD1 ILE 52 -9.571 4.475 -7.046 413 HD12 ILE 52 1HD1 ILE 52 -10.670 5.255 -8.216 414 HD13 ILE 52 2HD1 ILE 52 -8.911 5.404 -8.403 415 H ASP 53 H ASP 53 -10.523 5.562 -2.984 416 HA ASP 53 HA ASP 53 -7.671 5.583 -2.113 417 HB2 ASP 53 2HB ASP 53 -10.058 3.940 -1.182 418 HB3 ASP 53 3HB ASP 53 -8.409 3.752 -0.591 419 H ARG 54 H ARG 54 -6.830 5.070 -4.190 420 HA ARG 54 HA ARG 54 -7.779 2.770 -5.722 421 HB2 ARG 54 2HB ARG 54 -6.801 5.011 -6.542 422 HB3 ARG 54 3HB ARG 54 -5.209 4.316 -6.188 423 HG2 ARG 54 2HG ARG 54 -5.381 2.720 -7.870 424 HG3 ARG 54 3HG ARG 54 -7.145 2.841 -7.963 425 HD2 ARG 54 2HD ARG 54 -7.133 4.520 -9.421 426 HD3 ARG 54 3HD ARG 54 -5.899 5.424 -8.564 427 HE ARG 54 HE ARG 54 -4.218 3.822 -9.644 428 HH11 ARG 54 1HH2 ARG 54 -7.193 4.748 -11.446 429 HH12 ARG 54 2HH2 ARG 54 -6.343 4.384 -12.947 430 HH21 ARG 54 1HH1 ARG 54 -3.397 3.486 -11.731 431 HH22 ARG 54 2HH1 ARG 54 -4.488 3.758 -13.092 432 H TRP 55 H TRP 55 -7.268 0.703 -5.256 433 HA TRP 55 HA TRP 55 -5.175 0.084 -3.344 434 HB2 TRP 55 2HB TRP 55 -7.187 -1.685 -4.760 435 HB3 TRP 55 3HB TRP 55 -6.058 -2.237 -3.533 436 HD1 TRP 55 HD1 TRP 55 -9.388 -0.552 -3.898 437 HE1 TRP 55 HE1 TRP 55 -10.376 0.030 -1.612 438 HE3 TRP 55 HE3 TRP 55 -5.316 -1.583 -0.961 439 HZ2 TRP 55 HZ2 TRP 55 -9.473 0.202 1.121 440 HZ3 TRP 55 HZ3 TRP 55 -5.368 -1.059 1.472 441 HH2 TRP 55 HH2 TRP 55 -7.435 -0.171 2.515 442 H TYR 56 H TYR 56 -3.532 -1.374 -3.502 443 HA TYR 56 HA TYR 56 -2.420 -2.316 -6.065 444 HB2 TYR 56 2HB TYR 56 -1.004 -0.538 -4.027 445 HB3 TYR 56 3HB TYR 56 -0.253 -1.274 -5.437 446 HD1 TYR 56 HD2 TYR 56 -0.934 -0.556 -7.721 447 HD2 TYR 56 HD1 TYR 56 -2.247 1.548 -4.225 448 HE1 TYR 56 HE2 TYR 56 -1.595 1.392 -9.155 449 HE2 TYR 56 HE1 TYR 56 -2.933 3.473 -5.636 450 HH TYR 56 HH TYR 56 -3.004 4.346 -7.733 451 H HIS 57 H HIS 57 -0.838 -3.937 -5.787 452 HA HIS 57 HA HIS 57 -0.885 -5.619 -3.387 453 HB2 HIS 57 2HB HIS 57 0.852 -5.702 -5.854 454 HB3 HIS 57 3HB HIS 57 1.018 -6.847 -4.562 455 HD2 HIS 57 HD2 HIS 57 -1.425 -8.229 -3.913 456 HE1 HIS 57 HE1 HIS 57 -2.652 -8.317 -7.985 457 HE2 HIS 57 HE2 HIS 57 -2.981 -9.372 -5.713 458 HA PRO 58 HA PRO 58 2.777 -3.983 -1.234 459 HB2 PRO 58 2HB PRO 58 4.031 -6.284 -0.373 460 HB3 PRO 58 3HB PRO 58 2.581 -5.562 0.386 461 HG2 PRO 58 2HG PRO 58 2.687 -7.789 -1.673 462 HG3 PRO 58 3HG PRO 58 1.774 -7.749 -0.127 463 HD2 PRO 58 2HD PRO 58 0.530 -7.157 -2.415 464 HD3 PRO 58 3HD PRO 58 0.244 -6.134 -0.980 465 H GLY 59 H GLY 59 3.275 -6.227 -3.903 466 HA2 GLY 59 2HA GLY 59 6.095 -5.397 -4.282 467 HA3 GLY 59 3HA GLY 59 5.127 -6.409 -5.356 468 H CYS 60 HN CYS 60 2.944 -4.872 -5.958 469 HA CYS 60 HA CYS 60 3.998 -3.274 -7.979 470 HB2 CYS 60 2HB CYS 60 1.137 -3.369 -6.964 471 HB3 CYS 60 3HB CYS 60 1.677 -2.894 -8.581 472 H PHE 61 H PHE 61 2.458 -2.213 -4.893 473 HA PHE 61 HA PHE 61 2.291 0.527 -5.656 474 HB2 PHE 61 2HB PHE 61 1.497 0.909 -3.617 475 HB3 PHE 61 3HB PHE 61 1.383 -0.841 -3.539 476 HD1 PHE 61 HD2 PHE 61 3.310 -2.127 -2.479 477 HD2 PHE 61 HD1 PHE 61 2.932 2.133 -2.173 478 HE1 PHE 61 HE2 PHE 61 4.720 -2.168 -0.418 479 HE2 PHE 61 HE1 PHE 61 4.329 2.113 -0.093 480 HZ PHE 61 HZ PHE 61 5.211 -0.041 0.787 481 H VAL 62 H VAL 62 5.028 -1.324 -4.369 482 HA VAL 62 HA VAL 62 6.869 0.907 -4.221 483 HB VAL 62 HB VAL 62 7.539 -2.030 -4.598 484 HG11 VAL 62 1HG1 VAL 62 9.190 0.313 -3.555 485 HG12 VAL 62 2HG1 VAL 62 9.684 -1.393 -3.532 486 HG13 VAL 62 3HG1 VAL 62 9.461 -0.574 -5.073 487 HG21 VAL 62 3HG2 VAL 62 6.223 -1.836 -2.599 488 HG22 VAL 62 1HG2 VAL 62 7.898 -1.940 -2.091 489 HG23 VAL 62 2HG2 VAL 62 7.075 -0.366 -2.087 490 H LYS 63 H LYS 63 5.996 -1.347 -6.852 491 HA LYS 63 HA LYS 63 7.992 -0.504 -8.721 492 HB2 LYS 63 2HB LYS 63 6.712 -2.592 -8.933 493 HB3 LYS 63 3HB LYS 63 5.217 -1.682 -9.141 494 HG2 LYS 63 2HG LYS 63 6.059 -0.738 -11.274 495 HG3 LYS 63 3HG LYS 63 7.559 -1.648 -11.067 496 HD2 LYS 63 2HD LYS 63 6.056 -2.789 -12.623 497 HD3 LYS 63 3HD LYS 63 6.331 -3.763 -11.188 498 HE2 LYS 63 2HE LYS 63 4.012 -3.913 -11.890 499 HE3 LYS 63 3HE LYS 63 4.109 -3.176 -10.296 500 HZ1 LYS 63 3HZ LYS 63 3.858 -1.565 -12.782 501 HZ2 LYS 63 1HZ LYS 63 2.563 -2.083 -11.939 502 HZ3 LYS 63 2HZ LYS 63 3.593 -1.051 -11.235 503 H ASN 64 H ASN 64 4.758 0.836 -8.043 504 HA ASN 64 HA ASN 64 5.309 3.087 -9.913 505 HB2 ASN 64 2HB ASN 64 2.660 3.378 -9.342 506 HB3 ASN 64 3HB ASN 64 3.363 2.662 -10.768 507 HD21 ASN 64 1HD2 ASN 64 1.747 1.910 -7.684 508 HD22 ASN 64 2HD2 ASN 64 1.336 0.283 -8.213 509 H ARG 65 H ARG 65 6.201 2.646 -6.910 510 HA ARG 65 HA ARG 65 5.108 4.550 -5.274 511 HB2 ARG 65 2HB ARG 65 7.180 4.550 -4.080 512 HB3 ARG 65 3HB ARG 65 7.005 2.962 -4.790 513 HG2 ARG 65 2HG ARG 65 8.493 3.779 -6.718 514 HG3 ARG 65 3HG ARG 65 8.785 5.242 -5.760 515 HD2 ARG 65 2HD ARG 65 9.779 3.972 -3.985 516 HD3 ARG 65 3HD ARG 65 9.376 2.433 -4.764 517 HE ARG 65 HE ARG 65 11.609 4.209 -5.368 518 HH11 ARG 65 1HH2 ARG 65 9.622 1.680 -6.818 519 HH12 ARG 65 2HH2 ARG 65 10.883 1.251 -7.947 520 HH21 ARG 65 1HH1 ARG 65 13.131 3.599 -6.851 521 HH22 ARG 65 2HH1 ARG 65 12.795 2.312 -7.969 522 H GLU 66 H GLU 66 7.274 5.203 -7.959 523 HA GLU 66 HA GLU 66 7.605 8.015 -7.327 524 HB2 GLU 66 2HB GLU 66 8.923 8.065 -9.406 525 HB3 GLU 66 3HB GLU 66 9.435 6.817 -8.262 526 HG2 GLU 66 2HG GLU 66 8.348 5.071 -9.576 527 HG3 GLU 66 3HG GLU 66 7.670 6.268 -10.686 528 H GLU 67 H GLU 67 5.325 6.181 -9.210 529 HA GLU 67 HA GLU 67 4.114 8.533 -10.495 530 HB2 GLU 67 2HB GLU 67 4.097 6.308 -11.578 531 HB3 GLU 67 3HB GLU 67 3.097 5.681 -10.261 532 HG2 GLU 67 2HG GLU 67 1.290 7.226 -10.835 533 HG3 GLU 67 3HG GLU 67 2.309 8.027 -12.036 534 H LEU 68 H LEU 68 3.556 6.368 -7.695 535 HA LEU 68 HA LEU 68 1.286 7.846 -6.657 536 HB2 LEU 68 2HB LEU 68 3.154 5.843 -5.340 537 HB3 LEU 68 3HB LEU 68 1.634 6.410 -4.659 538 HG LEU 68 HG LEU 68 1.937 4.773 -7.217 539 HD11 LEU 68 1HD1 LEU 68 2.376 3.478 -5.183 540 HD12 LEU 68 2HD1 LEU 68 0.845 4.043 -4.475 541 HD13 LEU 68 3HD1 LEU 68 0.829 3.000 -5.908 542 HD21 LEU 68 3HD2 LEU 68 -0.593 5.662 -5.804 543 HD22 LEU 68 1HD2 LEU 68 -0.027 6.247 -7.389 544 HD23 LEU 68 2HD2 LEU 68 -0.478 4.560 -7.190 545 H GLY 69 H GLY 69 4.677 8.527 -6.491 546 HA2 GLY 69 2HA GLY 69 5.405 10.722 -6.068 547 HA3 GLY 69 3HA GLY 69 3.958 11.056 -5.123 548 H PHE 70 H PHE 70 5.768 8.163 -4.353 549 HA PHE 70 HA PHE 70 6.299 8.948 -1.635 550 HB2 PHE 70 2HB PHE 70 7.157 6.662 -3.419 551 HB3 PHE 70 3HB PHE 70 7.841 6.852 -1.826 552 HD1 PHE 70 HD1 PHE 70 4.640 6.149 -3.617 553 HD2 PHE 70 HD2 PHE 70 6.655 6.399 0.163 554 HE1 PHE 70 HE1 PHE 70 2.828 4.815 -2.569 555 HE2 PHE 70 HE2 PHE 70 4.873 5.045 1.225 556 HZ PHE 70 HZ PHE 70 2.950 4.244 -0.157 557 H ARG 71 H ARG 71 8.023 9.782 -0.664 558 HA ARG 71 HA ARG 71 10.706 9.781 -1.913 559 HB2 ARG 71 2HB ARG 71 9.255 12.141 -0.656 560 HB3 ARG 71 3HB ARG 71 11.008 12.087 -0.770 561 HG2 ARG 71 2HG ARG 71 10.968 12.027 -3.182 562 HG3 ARG 71 3HG ARG 71 9.212 11.807 -3.211 563 HD2 ARG 71 2HD ARG 71 9.785 14.111 -3.741 564 HD3 ARG 71 3HD ARG 71 8.831 13.973 -2.266 565 HE ARG 71 HE ARG 71 11.750 14.628 -2.436 566 HH11 ARG 71 1HH2 ARG 71 8.809 14.679 -0.437 567 HH12 ARG 71 2HH2 ARG 71 9.742 15.363 0.903 568 HH21 ARG 71 1HH1 ARG 71 12.702 15.578 -0.598 569 HH22 ARG 71 2HH1 ARG 71 11.678 15.814 0.821 570 HA PRO 72 HA PRO 72 12.188 7.981 1.673 571 HB2 PRO 72 2HB PRO 72 14.187 10.222 2.045 572 HB3 PRO 72 3HB PRO 72 14.459 8.453 2.091 573 HG2 PRO 72 2HG PRO 72 15.065 9.837 -0.142 574 HG3 PRO 72 3HG PRO 72 14.169 8.286 -0.293 575 HD2 PRO 72 2HD PRO 72 13.070 11.111 -0.355 576 HD3 PRO 72 3HD PRO 72 12.710 9.733 -1.434 577 H GLU 73 H GLU 73 11.491 11.439 2.290 578 HA GLU 73 HA GLU 73 11.575 11.071 5.183 579 HB2 GLU 73 2HB GLU 73 10.970 13.321 5.402 580 HB3 GLU 73 3HB GLU 73 12.114 13.215 4.065 581 HG2 GLU 73 2HG GLU 73 10.182 13.313 2.459 582 HG3 GLU 73 3HG GLU 73 9.092 13.508 3.837 583 H TYR 74 H TYR 74 9.307 9.986 2.983 584 HA TYR 74 HA TYR 74 7.430 9.368 5.121 585 HB2 TYR 74 2HB TYR 74 5.447 10.235 3.811 586 HB3 TYR 74 3HB TYR 74 6.435 11.369 4.675 587 HD1 TYR 74 HD1 TYR 74 6.413 9.954 1.146 588 HD2 TYR 74 HD2 TYR 74 6.711 13.407 3.711 589 HE1 TYR 74 HE1 TYR 74 6.550 11.436 -0.850 590 HE2 TYR 74 HE2 TYR 74 6.893 14.876 1.711 591 HH TYR 74 HH TYR 74 6.638 13.587 -1.612 592 H SER 75 H SER 75 9.054 7.568 3.913 593 HA SER 75 HA SER 75 7.709 6.043 1.872 594 HB2 SER 75 2HB SER 75 9.845 5.194 3.813 595 HB3 SER 75 3HB SER 75 9.379 4.369 2.313 596 HG SER 75 HG SER 75 11.193 5.667 1.966 597 H ALA 76 H ALA 76 7.696 3.440 2.735 598 HA ALA 76 HA ALA 76 5.095 3.031 3.246 599 HB1 ALA 76 1HB ALA 76 5.727 0.711 3.760 600 HB2 ALA 76 2HB ALA 76 6.743 1.355 2.458 601 HB3 ALA 76 3HB ALA 76 7.393 1.212 4.108 602 H SER 77 H SER 77 7.316 3.695 5.919 603 HA SER 77 HA SER 77 5.705 2.543 8.009 604 HB2 SER 77 2HB SER 77 8.141 3.182 8.150 605 HB3 SER 77 3HB SER 77 7.631 4.879 8.248 606 HG SER 77 HG SER 77 7.963 3.877 10.308 607 H GLN 78 H GLN 78 5.403 5.545 6.164 608 HA GLN 78 HA GLN 78 3.428 6.613 8.038 609 HB2 GLN 78 2HB GLN 78 4.741 7.925 5.644 610 HB3 GLN 78 3HB GLN 78 3.655 8.686 6.815 611 HG2 GLN 78 2HG GLN 78 5.329 8.081 8.647 612 HG3 GLN 78 3HG GLN 78 6.429 7.559 7.374 613 HE21 GLN 78 2HE2 GLN 78 7.945 9.184 8.190 614 HE22 GLN 78 1HE2 GLN 78 7.771 10.795 7.521 615 H LEU 79 H LEU 79 2.845 4.266 6.307 616 HA LEU 79 HA LEU 79 0.497 5.234 4.760 617 HB2 LEU 79 2HB LEU 79 1.600 2.479 5.443 618 HB3 LEU 79 3HB LEU 79 0.086 2.720 4.592 619 HG LEU 79 HG LEU 79 2.627 3.870 3.420 620 HD11 LEU 79 1HD1 LEU 79 1.717 0.998 2.952 621 HD12 LEU 79 2HD1 LEU 79 3.074 1.831 2.183 622 HD13 LEU 79 3HD1 LEU 79 3.127 1.434 3.907 623 HD21 LEU 79 3HD2 LEU 79 0.262 4.225 2.526 624 HD22 LEU 79 1HD2 LEU 79 1.457 3.631 1.363 625 HD23 LEU 79 2HD2 LEU 79 0.260 2.528 2.065 626 H LYS 80 H LYS 80 -1.550 5.273 5.557 627 HA LYS 80 HA LYS 80 -2.158 5.247 8.302 628 HB2 LYS 80 2HB LYS 80 -4.120 4.480 6.092 629 HB3 LYS 80 3HB LYS 80 -4.525 4.987 7.727 630 HG2 LYS 80 2HG LYS 80 -3.385 7.175 7.259 631 HG3 LYS 80 3HG LYS 80 -3.232 6.674 5.567 632 HD2 LYS 80 2HD LYS 80 -5.839 7.013 7.130 633 HD3 LYS 80 3HD LYS 80 -5.151 8.206 6.021 634 HE2 LYS 80 2HE LYS 80 -5.339 6.592 4.147 635 HE3 LYS 80 3HE LYS 80 -6.053 5.399 5.246 636 HZ1 LYS 80 3HZ LYS 80 -7.910 6.924 5.606 637 HZ2 LYS 80 1HZ LYS 80 -7.249 8.049 4.622 638 HZ3 LYS 80 2HZ LYS 80 -7.756 6.624 4.009 639 H GLY 81 H GLY 81 -2.349 3.706 9.808 640 HA2 GLY 81 2HA GLY 81 -2.815 1.682 10.818 641 HA3 GLY 81 3HA GLY 81 -3.482 1.096 9.297 642 H PHE 82 H PHE 82 -0.237 2.042 8.673 643 HA PHE 82 HA PHE 82 0.710 -0.554 8.132 644 HB2 PHE 82 2HB PHE 82 1.844 1.237 7.156 645 HB3 PHE 82 3HB PHE 82 2.003 2.126 8.663 646 HD1 PHE 82 HD1 PHE 82 3.659 1.477 10.366 647 HD2 PHE 82 HD2 PHE 82 3.616 -0.302 6.446 648 HE1 PHE 82 HE1 PHE 82 5.995 0.670 10.711 649 HE2 PHE 82 HE2 PHE 82 5.955 -1.064 6.777 650 HZ PHE 82 HZ PHE 82 7.129 -0.611 8.909 651 H SER 83 H SER 83 1.111 1.417 11.091 652 HA SER 83 HA SER 83 2.856 -0.256 12.488 653 HB2 SER 83 2HB SER 83 0.715 1.619 13.547 654 HB3 SER 83 3HB SER 83 2.082 0.984 14.489 655 HG SER 83 HG SER 83 2.449 3.079 13.599 656 H LEU 84 H LEU 84 -0.535 -0.806 11.919 657 HA LEU 84 HA LEU 84 -0.875 -2.658 14.200 658 HB2 LEU 84 2HB LEU 84 -2.753 -1.473 12.125 659 HB3 LEU 84 3HB LEU 84 -3.219 -2.810 13.157 660 HG LEU 84 HG LEU 84 -2.852 -1.466 15.182 661 HD11 LEU 84 1HD1 LEU 84 -2.736 1.035 14.956 662 HD12 LEU 84 2HD1 LEU 84 -1.238 0.219 14.528 663 HD13 LEU 84 3HD1 LEU 84 -2.315 0.825 13.242 664 HD21 LEU 84 3HD2 LEU 84 -4.689 -0.176 13.120 665 HD22 LEU 84 1HD2 LEU 84 -5.066 -1.614 14.095 666 HD23 LEU 84 2HD2 LEU 84 -4.840 -0.050 14.889 667 H LEU 85 H LEU 85 0.284 -2.952 10.998 668 HA LEU 85 HA LEU 85 -0.660 -5.681 10.464 669 HB2 LEU 85 2HB LEU 85 1.502 -3.890 9.322 670 HB3 LEU 85 3HB LEU 85 1.471 -5.594 8.945 671 HG LEU 85 HG LEU 85 -0.724 -5.438 7.928 672 HD11 LEU 85 1HD1 LEU 85 -0.593 -2.465 8.541 673 HD12 LEU 85 2HD1 LEU 85 -1.743 -3.224 7.422 674 HD13 LEU 85 3HD1 LEU 85 -1.805 -3.619 9.142 675 HD21 LEU 85 3HD2 LEU 85 1.180 -3.283 6.920 676 HD22 LEU 85 1HD2 LEU 85 1.317 -5.021 6.585 677 HD23 LEU 85 2HD2 LEU 85 -0.071 -4.112 5.966 678 H ALA 86 H ALA 86 0.929 -7.529 10.357 679 HA ALA 86 HA ALA 86 2.266 -8.012 12.847 680 HB1 ALA 86 1HB ALA 86 2.391 -9.418 10.144 681 HB2 ALA 86 2HB ALA 86 3.089 -10.057 11.652 682 HB3 ALA 86 3HB ALA 86 1.339 -9.827 11.514 683 H THR 87 H THR 87 4.477 -8.131 13.351 684 HA THR 87 HA THR 87 6.106 -6.052 12.495 685 HB THR 87 HB THR 87 7.133 -8.670 13.630 686 HG1 THR 87 1HG THR 87 6.631 -7.767 15.637 687 HG21 THR 87 1HG2 THR 87 8.908 -7.035 13.064 688 HG22 THR 87 2HG2 THR 87 8.052 -5.773 13.978 689 HG23 THR 87 3HG2 THR 87 8.740 -7.183 14.818 690 H GLU 88 H GLU 88 6.214 -9.450 11.329 691 HA GLU 88 HA GLU 88 8.470 -9.095 9.616 692 HB2 GLU 88 2HB GLU 88 7.849 -11.205 8.627 693 HB3 GLU 88 3HB GLU 88 7.710 -11.275 10.382 694 HG2 GLU 88 2HG GLU 88 5.218 -10.954 10.156 695 HG3 GLU 88 3HG GLU 88 5.405 -11.008 8.402 696 H ASP 89 H ASP 89 5.053 -8.311 9.056 697 HA ASP 89 HA ASP 89 5.479 -7.821 6.175 698 HB2 ASP 89 2HB ASP 89 3.125 -7.363 8.037 699 HB3 ASP 89 3HB ASP 89 3.156 -6.830 6.360 700 H LYS 90 H LYS 90 5.228 -5.895 9.174 701 HA LYS 90 HA LYS 90 5.552 -3.291 7.984 702 HB2 LYS 90 2HB LYS 90 6.238 -4.434 10.722 703 HB3 LYS 90 3HB LYS 90 6.464 -2.729 10.318 704 HG2 LYS 90 2HG LYS 90 4.155 -2.356 9.971 705 HG3 LYS 90 3HG LYS 90 3.785 -4.078 9.878 706 HD2 LYS 90 2HD LYS 90 2.988 -3.179 11.964 707 HD3 LYS 90 3HD LYS 90 4.249 -4.386 12.244 708 HE2 LYS 90 2HE LYS 90 5.892 -2.572 12.650 709 HE3 LYS 90 3HE LYS 90 4.638 -1.366 12.324 710 HZ1 LYS 90 3HZ LYS 90 4.581 -3.353 14.542 711 HZ2 LYS 90 1HZ LYS 90 4.856 -1.753 14.716 712 HZ3 LYS 90 2HZ LYS 90 3.381 -2.289 14.233 713 H GLU 91 H GLU 91 7.959 -5.695 9.062 714 HA GLU 91 HA GLU 91 10.293 -4.202 8.241 715 HB2 GLU 91 2HB GLU 91 9.769 -7.186 8.573 716 HB3 GLU 91 3HB GLU 91 11.317 -6.525 8.046 717 HG2 GLU 91 2HG GLU 91 11.418 -5.147 10.128 718 HG3 GLU 91 3HG GLU 91 9.954 -5.946 10.697 719 H ALA 92 H ALA 92 8.399 -6.753 6.479 720 HA ALA 92 HA ALA 92 9.979 -6.659 4.153 721 HB1 ALA 92 1HB ALA 92 7.048 -7.379 4.464 722 HB2 ALA 92 2HB ALA 92 8.101 -7.830 3.100 723 HB3 ALA 92 3HB ALA 92 8.441 -8.462 4.725 724 H LEU 93 H LEU 93 7.141 -4.602 4.922 725 HA LEU 93 HA LEU 93 7.000 -3.336 2.325 726 HB2 LEU 93 2HB LEU 93 6.087 -2.547 5.111 727 HB3 LEU 93 3HB LEU 93 5.758 -1.560 3.689 728 HG LEU 93 HG LEU 93 4.811 -4.444 3.976 729 HD11 LEU 93 1HD1 LEU 93 3.313 -1.825 4.424 730 HD12 LEU 93 2HD1 LEU 93 2.609 -3.457 4.468 731 HD13 LEU 93 3HD1 LEU 93 3.796 -2.982 5.689 732 HD21 LEU 93 3HD2 LEU 93 3.272 -3.835 2.154 733 HD22 LEU 93 1HD2 LEU 93 4.029 -2.232 2.037 734 HD23 LEU 93 2HD2 LEU 93 4.954 -3.700 1.636 735 H LYS 94 H LYS 94 8.713 -2.435 5.363 736 HA LYS 94 HA LYS 94 9.969 -0.061 4.254 737 HB2 LYS 94 2HB LYS 94 10.575 -1.846 6.648 738 HB3 LYS 94 3HB LYS 94 11.578 -0.458 6.208 739 HG2 LYS 94 2HG LYS 94 9.719 1.085 6.493 740 HG3 LYS 94 3HG LYS 94 8.587 -0.244 6.745 741 HD2 LYS 94 2HD LYS 94 9.195 0.814 8.890 742 HD3 LYS 94 3HD LYS 94 9.661 -0.881 8.820 743 HE2 LYS 94 2HE LYS 94 11.453 0.255 9.882 744 HE3 LYS 94 3HE LYS 94 12.012 -0.193 8.273 745 HZ1 LYS 94 3HZ LYS 94 12.658 2.064 8.735 746 HZ2 LYS 94 1HZ LYS 94 11.507 2.136 7.588 747 HZ3 LYS 94 2HZ LYS 94 11.139 2.510 9.144 748 H LYS 95 H LYS 95 10.986 -3.475 4.429 749 HA LYS 95 HA LYS 95 13.633 -3.073 3.490 750 HB2 LYS 95 2HB LYS 95 11.779 -5.465 3.454 751 HB3 LYS 95 3HB LYS 95 13.384 -5.561 2.726 752 HG2 LYS 95 2HG LYS 95 14.490 -5.016 4.785 753 HG3 LYS 95 3HG LYS 95 12.970 -4.652 5.604 754 HD2 LYS 95 2HD LYS 95 12.243 -7.010 5.318 755 HD3 LYS 95 3HD LYS 95 13.781 -7.402 4.540 756 HE2 LYS 95 2HE LYS 95 13.487 -6.301 7.378 757 HE3 LYS 95 3HE LYS 95 13.597 -8.019 6.990 758 HZ1 LYS 95 3HZ LYS 95 15.717 -6.017 6.419 759 HZ2 LYS 95 1HZ LYS 95 15.758 -7.144 7.595 760 HZ3 LYS 95 2HZ LYS 95 15.798 -7.606 6.033 761 H GLN 96 H GLN 96 10.698 -3.058 1.684 762 HA GLN 96 HA GLN 96 12.112 -3.112 -0.942 763 HB2 GLN 96 2HB GLN 96 9.168 -3.215 -0.196 764 HB3 GLN 96 3HB GLN 96 9.795 -3.192 -1.853 765 HG2 GLN 96 2HG GLN 96 10.898 -5.316 -1.583 766 HG3 GLN 96 3HG GLN 96 10.553 -5.359 0.148 767 HE21 GLN 96 2HE2 GLN 96 8.301 -5.559 0.851 768 HE22 GLN 96 1HE2 GLN 96 7.136 -6.335 -0.235 769 H LEU 97 H LEU 97 10.154 -0.970 1.153 770 HA LEU 97 HA LEU 97 11.141 1.375 -0.383 771 HB2 LEU 97 2HB LEU 97 8.969 0.787 -1.235 772 HB3 LEU 97 3HB LEU 97 8.260 0.776 0.374 773 HG LEU 97 HG LEU 97 8.330 3.149 0.549 774 HD11 LEU 97 1HD1 LEU 97 10.162 3.147 -1.881 775 HD12 LEU 97 2HD1 LEU 97 9.383 4.602 -1.206 776 HD13 LEU 97 3HD1 LEU 97 10.552 3.706 -0.239 777 HD21 LEU 97 3HD2 LEU 97 7.707 2.438 -2.346 778 HD22 LEU 97 1HD2 LEU 97 6.616 2.237 -0.961 779 HD23 LEU 97 2HD2 LEU 97 7.114 3.858 -1.461 780 HA PRO 98 HA PRO 98 11.657 2.032 4.125 781 HB2 PRO 98 2HB PRO 98 14.379 2.399 4.231 782 HB3 PRO 98 3HB PRO 98 13.575 0.809 4.267 783 HG2 PRO 98 2HG PRO 98 15.067 2.092 2.020 784 HG3 PRO 98 3HG PRO 98 14.755 0.355 2.347 785 HD2 PRO 98 2HD PRO 98 13.366 2.082 0.515 786 HD3 PRO 98 3HD PRO 98 13.015 0.379 0.920 787 H GLY 99 H GLY 99 12.078 3.990 5.333 788 HA2 GLY 99 2HA GLY 99 12.667 6.450 3.769 789 HA3 GLY 99 3HA GLY 99 11.423 6.368 5.015 790 H VAL 100 H VAL 100 13.009 8.228 5.386 791 HA VAL 100 HA VAL 100 15.177 7.448 7.297 792 HB VAL 100 HB VAL 100 15.996 8.303 5.119 793 HG11 VAL 100 1HG1 VAL 100 14.914 11.031 5.968 794 HG12 VAL 100 2HG1 VAL 100 15.894 10.651 4.545 795 HG13 VAL 100 3HG1 VAL 100 14.244 10.029 4.669 796 HG21 VAL 100 3HG2 VAL 100 17.693 9.766 6.024 797 HG22 VAL 100 1HG2 VAL 100 16.722 10.095 7.466 798 HG23 VAL 100 2HG2 VAL 100 17.364 8.460 7.168 799 H LYS 101 H LYS 101 15.422 8.579 9.171 800 HA LYS 101 HA LYS 101 13.247 10.297 10.143 801 HB2 LYS 101 2HB LYS 101 14.375 10.246 12.278 802 HB3 LYS 101 3HB LYS 101 14.130 8.630 11.659 803 HG2 LYS 101 2HG LYS 101 16.797 9.978 11.140 804 HG3 LYS 101 3HG LYS 101 16.441 9.445 12.773 805 HD2 LYS 101 2HD LYS 101 16.319 7.578 10.363 806 HD3 LYS 101 3HD LYS 101 17.738 7.833 11.374 807 HE2 LYS 101 2HE LYS 101 16.602 7.017 13.346 808 HE3 LYS 101 3HE LYS 101 15.079 6.846 12.463 809 HZ1 LYS 101 3HZ LYS 101 15.999 5.111 11.149 810 HZ2 LYS 101 1HZ LYS 101 17.535 5.392 11.639 811 HZ3 LYS 101 2HZ LYS 101 16.431 4.751 12.680 812 H SER 102 H SER 102 14.513 11.388 7.945 813 HA SER 102 HA SER 102 15.863 13.015 7.056 814 HB2 SER 102 2HB SER 102 14.365 14.572 9.166 815 HB3 SER 102 3HB SER 102 15.066 15.208 7.655 816 HG SER 102 HG SER 102 12.819 14.729 7.457 817 H GLU 103 H GLU 103 17.611 11.661 8.461 818 HA GLU 103 HA GLU 103 19.600 11.627 9.519 819 HB2 GLU 103 2HB GLU 103 19.798 14.452 8.448 820 HB3 GLU 103 3HB GLU 103 21.147 13.498 9.075 821 HG2 GLU 103 2HG GLU 103 20.824 11.794 7.372 822 HG3 GLU 103 3HG GLU 103 19.431 12.658 6.712 823 H GLY 104 H GLY 104 17.341 12.432 11.249 824 HA2 GLY 104 2HA GLY 104 18.180 14.218 13.283 825 HA3 GLY 104 3HA GLY 104 16.951 12.963 13.427 826 H LYS 105 H LYS 105 20.278 12.167 12.705 827 HA LYS 105 HA LYS 105 21.006 11.473 15.487 828 HB2 LYS 105 2HB LYS 105 19.860 9.454 14.722 829 HB3 LYS 105 3HB LYS 105 20.861 9.377 13.276 830 HG2 LYS 105 2HG LYS 105 22.883 9.029 14.730 831 HG3 LYS 105 3HG LYS 105 21.832 9.074 16.158 832 HD2 LYS 105 2HD LYS 105 20.601 7.098 15.333 833 HD3 LYS 105 3HD LYS 105 21.572 7.092 13.845 834 HE2 LYS 105 2HE LYS 105 23.631 6.750 15.206 835 HE3 LYS 105 3HE LYS 105 22.645 6.696 16.675 836 HZ1 LYS 105 3HZ LYS 105 21.528 4.731 15.769 837 HZ2 LYS 105 1HZ LYS 105 22.393 4.808 14.380 838 HZ3 LYS 105 2HZ LYS 105 23.139 4.464 15.797 839 H ARG 106 H ARG 106 22.353 10.462 12.411 840 HA ARG 106 HA ARG 106 24.383 12.593 12.268 841 HB2 ARG 106 2HB ARG 106 25.233 9.663 12.544 842 HB3 ARG 106 3HB ARG 106 26.265 10.961 11.935 843 HG2 ARG 106 2HG ARG 106 25.990 12.158 14.127 844 HG3 ARG 106 3HG ARG 106 25.107 10.740 14.739 845 HD2 ARG 106 2HD ARG 106 27.069 9.313 14.289 846 HD3 ARG 106 3HD ARG 106 27.958 10.725 13.678 847 HE ARG 106 HE ARG 106 27.009 11.308 16.304 848 HH11 ARG 106 1HH2 ARG 106 29.435 9.261 14.819 849 HH12 ARG 106 2HH2 ARG 106 30.446 9.275 16.238 850 HH21 ARG 106 1HH1 ARG 106 28.344 11.282 18.079 851 HH22 ARG 106 2HH1 ARG 106 29.837 10.390 18.033 852 H LYS 107 H LYS 107 23.700 9.387 10.905 853 HA LYS 107 HA LYS 107 22.873 10.635 8.307 854 HB2 LYS 107 2HB LYS 107 24.637 8.186 8.737 855 HB3 LYS 107 3HB LYS 107 23.812 8.495 7.210 856 HG2 LYS 107 2HG LYS 107 25.704 10.511 8.484 857 HG3 LYS 107 3HG LYS 107 26.243 9.266 7.374 858 HD2 LYS 107 2HD LYS 107 25.249 10.194 5.528 859 HD3 LYS 107 3HD LYS 107 23.955 10.982 6.416 860 HE2 LYS 107 2HE LYS 107 26.843 11.879 6.709 861 HE3 LYS 107 3HE LYS 107 25.825 12.448 5.380 862 HZ1 LYS 107 3HZ LYS 107 25.080 12.768 8.241 863 HZ2 LYS 107 1HZ LYS 107 25.721 13.955 7.299 864 HZ3 LYS 107 2HZ LYS 107 24.247 13.321 6.959 865 H GLY 108 H GLY 108 22.284 8.170 10.726 866 HA2 GLY 108 2HA GLY 108 20.054 7.846 11.420 867 HA3 GLY 108 3HA GLY 108 19.473 8.125 9.781 868 H ASP 109 H ASP 109 21.956 5.993 9.384 869 HA ASP 109 HA ASP 109 22.153 3.815 8.892 870 HB2 ASP 109 2HB ASP 109 20.382 3.353 11.308 871 HB3 ASP 109 3HB ASP 109 21.451 2.175 10.557 872 H GLU 110 H GLU 110 19.652 5.245 7.794 873 HA GLU 110 HA GLU 110 18.505 2.854 6.456 874 HB2 GLU 110 2HB GLU 110 16.872 5.112 7.690 875 HB3 GLU 110 3HB GLU 110 16.247 3.907 6.555 876 HG2 GLU 110 2HG GLU 110 16.770 2.092 8.133 877 HG3 GLU 110 3HG GLU 110 17.408 3.260 9.295 878 H VAL 111 H VAL 111 17.742 3.228 4.359 879 HA VAL 111 HA VAL 111 17.998 3.973 2.255 880 HB VAL 111 HB VAL 111 17.489 6.814 3.158 881 HG11 VAL 111 1HG1 VAL 111 17.831 6.378 0.705 882 HG12 VAL 111 2HG1 VAL 111 16.530 5.174 0.757 883 HG13 VAL 111 3HG1 VAL 111 16.182 6.888 1.065 884 HG21 VAL 111 3HG2 VAL 111 15.059 6.281 3.051 885 HG22 VAL 111 1HG2 VAL 111 15.455 4.554 2.943 886 HG23 VAL 111 2HG2 VAL 111 15.863 5.488 4.402 887 H ASP 112 H ASP 112 20.338 3.449 3.337 888 HA ASP 112 HA ASP 112 22.251 5.242 1.951 889 HB2 ASP 112 2HB ASP 112 22.228 5.996 4.290 890 HB3 ASP 112 3HB ASP 112 22.517 4.352 4.849 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 14.626 1.054 20.099 2 H2 GLY 1 H2 GLY 1 15.740 2.245 20.253 3 H3 GLY 1 H3 GLY 1 16.224 0.701 20.000 4 HA2 GLY 1 2HA GLY 1 16.446 1.974 17.963 5 HA3 GLY 1 3HA GLY 1 15.256 0.668 17.802 6 H SER 2 H SER 2 15.707 3.644 16.780 7 HA SER 2 HA SER 2 13.214 4.980 17.575 8 HB2 SER 2 2HB SER 2 15.405 5.764 15.619 9 HB3 SER 2 3HB SER 2 14.005 6.767 16.032 10 HG SER 2 HG SER 2 15.928 5.775 17.898 11 H LYS 3 H LYS 3 11.621 5.711 16.185 12 HA LYS 3 HA LYS 3 11.201 4.444 13.524 13 HB2 LYS 3 2HB LYS 3 9.249 4.368 15.879 14 HB3 LYS 3 3HB LYS 3 8.812 3.989 14.212 15 HG2 LYS 3 2HG LYS 3 10.409 2.104 14.194 16 HG3 LYS 3 3HG LYS 3 10.829 2.442 15.889 17 HD2 LYS 3 2HD LYS 3 8.512 2.043 16.590 18 HD3 LYS 3 3HD LYS 3 8.015 1.796 14.900 19 HE2 LYS 3 2HE LYS 3 9.536 -0.145 14.725 20 HE3 LYS 3 3HE LYS 3 10.051 0.088 16.403 21 HZ1 LYS 3 3HZ LYS 3 8.303 -1.619 16.081 22 HZ2 LYS 3 1HZ LYS 3 7.837 -0.445 17.138 23 HZ3 LYS 3 2HZ LYS 3 7.246 -0.469 15.609 24 H ALA 4 H ALA 4 9.575 5.507 12.274 25 HA ALA 4 HA ALA 4 8.760 8.246 13.137 26 HB1 ALA 4 1HB ALA 4 9.805 8.153 10.921 27 HB2 ALA 4 2HB ALA 4 8.619 6.938 10.397 28 HB3 ALA 4 3HB ALA 4 8.089 8.584 10.803 29 H GLU 5 H GLU 5 6.596 8.717 13.416 30 HA GLU 5 HA GLU 5 4.784 6.347 13.743 31 HB2 GLU 5 2HB GLU 5 5.159 8.759 15.554 32 HB3 GLU 5 3HB GLU 5 4.016 7.435 15.813 33 HG2 GLU 5 2HG GLU 5 5.923 5.825 15.913 34 HG3 GLU 5 3HG GLU 5 7.049 7.179 15.794 35 H LYS 6 H LYS 6 4.910 8.668 11.627 36 HA LYS 6 HA LYS 6 2.011 9.404 11.741 37 HB2 LYS 6 2HB LYS 6 3.359 11.258 12.603 38 HB3 LYS 6 3HB LYS 6 4.364 11.246 11.146 39 HG2 LYS 6 2HG LYS 6 2.458 11.849 9.775 40 HG3 LYS 6 3HG LYS 6 1.359 11.769 11.169 41 HD2 LYS 6 2HD LYS 6 2.620 13.671 12.189 42 HD3 LYS 6 3HD LYS 6 3.651 13.748 10.751 43 HE2 LYS 6 2HE LYS 6 0.617 14.122 10.822 44 HE3 LYS 6 3HE LYS 6 1.803 15.422 10.711 45 HZ1 LYS 6 3HZ LYS 6 1.392 13.306 8.647 46 HZ2 LYS 6 1HZ LYS 6 0.925 14.868 8.529 47 HZ3 LYS 6 2HZ LYS 6 2.513 14.502 8.563 48 H THR 7 H THR 7 0.912 9.526 9.907 49 HA THR 7 HA THR 7 1.912 8.458 7.375 50 HB THR 7 HB THR 7 -0.824 9.589 7.975 51 HG1 THR 7 1HG THR 7 -1.423 7.681 8.774 52 HG21 THR 7 1HG2 THR 7 -0.160 7.248 6.190 53 HG22 THR 7 2HG2 THR 7 -1.637 8.233 6.237 54 HG23 THR 7 3HG2 THR 7 -0.162 8.876 5.555 55 H LEU 8 H LEU 8 2.075 9.646 5.418 56 HA LEU 8 HA LEU 8 2.240 12.558 5.644 57 HB2 LEU 8 2HB LEU 8 3.124 12.642 3.586 58 HB3 LEU 8 3HB LEU 8 3.599 11.025 4.064 59 HG LEU 8 HG LEU 8 1.274 11.768 2.207 60 HD11 LEU 8 1HD1 LEU 8 3.947 10.456 1.628 61 HD12 LEU 8 2HD1 LEU 8 2.654 10.778 0.452 62 HD13 LEU 8 3HD1 LEU 8 3.499 12.127 1.226 63 HD21 LEU 8 3HD2 LEU 8 2.376 9.057 3.004 64 HD22 LEU 8 1HD2 LEU 8 0.765 9.646 3.394 65 HD23 LEU 8 2HD2 LEU 8 1.192 9.340 1.708 66 H GLY 9 H GLY 9 -0.437 10.503 5.069 67 HA2 GLY 9 2HA GLY 9 -2.673 11.169 5.102 68 HA3 GLY 9 3HA GLY 9 -2.229 12.795 4.606 69 H ASP 10 H ASP 10 -0.940 10.190 2.576 70 HA ASP 10 HA ASP 10 -3.072 10.720 0.560 71 HB2 ASP 10 2HB ASP 10 -0.072 10.907 0.164 72 HB3 ASP 10 3HB ASP 10 -1.241 10.859 -1.150 73 H PHE 11 H PHE 11 -1.233 8.267 2.121 74 HA PHE 11 HA PHE 11 -2.607 6.318 0.464 75 HB2 PHE 11 2HB PHE 11 -0.388 4.976 0.200 76 HB3 PHE 11 3HB PHE 11 -0.877 6.181 -0.939 77 HD1 PHE 11 HD1 PHE 11 1.265 6.074 2.203 78 HD2 PHE 11 HD2 PHE 11 0.711 7.574 -1.806 79 HE1 PHE 11 HE1 PHE 11 3.552 7.002 2.229 80 HE2 PHE 11 HE2 PHE 11 2.976 8.576 -1.737 81 HZ PHE 11 HZ PHE 11 4.411 8.267 0.274 82 H ALA 12 H ALA 12 -2.611 4.174 1.273 83 HA ALA 12 HA ALA 12 -2.448 4.015 4.246 84 HB1 ALA 12 1HB ALA 12 -4.678 4.828 3.498 85 HB2 ALA 12 2HB ALA 12 -4.840 3.396 2.469 86 HB3 ALA 12 3HB ALA 12 -4.773 3.208 4.230 87 H ALA 13 H ALA 13 -2.581 1.902 5.140 88 HA ALA 13 HA ALA 13 -2.150 -0.420 3.314 89 HB1 ALA 13 1HB ALA 13 -0.566 0.265 5.830 90 HB2 ALA 13 2HB ALA 13 -0.307 -1.119 4.736 91 HB3 ALA 13 3HB ALA 13 -0.009 0.535 4.169 92 H GLU 14 H GLU 14 -3.138 -2.298 3.916 93 HA GLU 14 HA GLU 14 -4.164 -2.757 6.651 94 HB2 GLU 14 2HB GLU 14 -5.829 -1.311 5.229 95 HB3 GLU 14 3HB GLU 14 -6.074 -2.778 4.281 96 HG2 GLU 14 2HG GLU 14 -6.833 -3.937 6.380 97 HG3 GLU 14 3HG GLU 14 -6.513 -2.462 7.287 98 H TYR 15 H TYR 15 -4.974 -5.100 6.864 99 HA TYR 15 HA TYR 15 -4.037 -6.986 4.822 100 HB2 TYR 15 2HB TYR 15 -6.038 -7.295 7.080 101 HB3 TYR 15 3HB TYR 15 -5.460 -8.597 6.050 102 HD1 TYR 15 HD1 TYR 15 -2.420 -7.157 6.247 103 HD2 TYR 15 HD2 TYR 15 -5.383 -8.781 8.948 104 HE1 TYR 15 HE1 TYR 15 -0.635 -7.809 7.799 105 HE2 TYR 15 HE2 TYR 15 -3.580 -9.367 10.546 106 HH TYR 15 HH TYR 15 -1.356 -9.417 10.935 107 H ALA 16 H ALA 16 -5.121 -7.931 3.202 108 HA ALA 16 HA ALA 16 -7.274 -6.590 1.948 109 HB1 ALA 16 1HB ALA 16 -6.084 -9.322 1.508 110 HB2 ALA 16 2HB ALA 16 -7.174 -8.489 0.371 111 HB3 ALA 16 3HB ALA 16 -5.573 -7.808 0.740 112 H LYS 17 H LYS 17 -9.243 -6.460 2.826 113 HA LYS 17 HA LYS 17 -10.381 -8.436 4.587 114 HB2 LYS 17 2HB LYS 17 -11.677 -6.025 3.236 115 HB3 LYS 17 3HB LYS 17 -12.338 -6.913 4.605 116 HG2 LYS 17 2HG LYS 17 -9.757 -5.287 4.621 117 HG3 LYS 17 3HG LYS 17 -11.311 -4.797 5.289 118 HD2 LYS 17 2HD LYS 17 -11.225 -6.689 6.902 119 HD3 LYS 17 3HD LYS 17 -9.623 -7.146 6.270 120 HE2 LYS 17 2HE LYS 17 -8.700 -4.977 6.896 121 HE3 LYS 17 3HE LYS 17 -10.289 -4.408 7.427 122 HZ1 LYS 17 3HZ LYS 17 -10.261 -6.118 9.158 123 HZ2 LYS 17 1HZ LYS 17 -8.796 -6.657 8.676 124 HZ3 LYS 17 2HZ LYS 17 -8.953 -5.159 9.310 125 H SER 18 H SER 18 -10.752 -7.943 1.147 126 HA SER 18 HA SER 18 -12.114 -10.529 0.961 127 HB2 SER 18 2HB SER 18 -13.993 -8.862 1.136 128 HB3 SER 18 3HB SER 18 -13.402 -8.109 -0.366 129 HG SER 18 HG SER 18 -15.078 -9.821 -0.539 130 H ASN 19 H ASN 19 -11.972 -11.475 -1.087 131 HA ASN 19 HA ASN 19 -9.683 -10.653 -2.672 132 HB2 ASN 19 2HB ASN 19 -10.335 -13.026 -2.005 133 HB3 ASN 19 3HB ASN 19 -11.656 -12.921 -3.170 134 HD21 ASN 19 2HD2 ASN 19 -8.412 -11.501 -3.857 135 HD22 ASN 19 1HD2 ASN 19 -7.849 -12.870 -4.788 136 H ARG 20 H ARG 20 -12.769 -9.512 -2.686 137 HA ARG 20 HA ARG 20 -13.097 -8.881 -5.523 138 HB2 ARG 20 2HB ARG 20 -14.162 -7.438 -3.049 139 HB3 ARG 20 3HB ARG 20 -14.715 -7.212 -4.705 140 HG2 ARG 20 2HG ARG 20 -15.086 -9.698 -2.989 141 HG3 ARG 20 3HG ARG 20 -16.318 -8.548 -3.504 142 HD2 ARG 20 2HD ARG 20 -15.829 -9.224 -5.900 143 HD3 ARG 20 3HD ARG 20 -14.726 -10.448 -5.264 144 HE ARG 20 HE ARG 20 -16.503 -11.754 -4.539 145 HH11 ARG 20 1HH2 ARG 20 -17.850 -8.711 -5.655 146 HH12 ARG 20 2HH2 ARG 20 -19.479 -9.330 -5.637 147 HH21 ARG 20 1HH1 ARG 20 -18.599 -12.467 -4.543 148 HH22 ARG 20 2HH1 ARG 20 -19.884 -11.398 -5.022 149 H SER 21 H SER 21 -10.950 -7.717 -3.078 150 HA SER 21 HA SER 21 -10.334 -5.114 -4.143 151 HB2 SER 21 2HB SER 21 -8.463 -7.082 -2.765 152 HB3 SER 21 3HB SER 21 -8.216 -5.332 -2.969 153 HG SER 21 HG SER 21 -10.068 -6.723 -1.350 154 H THR 22 H THR 22 -8.952 -4.491 -5.846 155 HA THR 22 HA THR 22 -7.454 -6.585 -7.343 156 HB THR 22 HB THR 22 -9.251 -4.604 -8.726 157 HG1 THR 22 1HG THR 22 -10.522 -6.182 -7.727 158 HG21 THR 22 1HG2 THR 22 -8.880 -5.900 -10.741 159 HG22 THR 22 2HG2 THR 22 -7.320 -5.374 -10.100 160 HG23 THR 22 3HG2 THR 22 -7.868 -7.052 -9.858 161 H CYS 23 HN CYS 23 -5.594 -5.906 -8.115 162 HA CYS 23 HA CYS 23 -4.516 -3.443 -7.099 163 HB2 CYS 23 2HB CYS 23 -3.317 -5.496 -6.902 164 HB3 CYS 23 3HB CYS 23 -3.518 -5.835 -8.620 165 H LYS 24 H LYS 24 -4.776 -1.617 -8.147 166 HA LYS 24 HA LYS 24 -5.025 -1.312 -11.063 167 HB2 LYS 24 2HB LYS 24 -4.763 0.571 -8.709 168 HB3 LYS 24 3HB LYS 24 -4.586 1.164 -10.359 169 HG2 LYS 24 2HG LYS 24 -6.861 1.476 -9.683 170 HG3 LYS 24 3HG LYS 24 -6.789 0.299 -10.982 171 HD2 LYS 24 2HD LYS 24 -7.234 -1.528 -9.454 172 HD3 LYS 24 3HD LYS 24 -7.050 -0.464 -8.040 173 HE2 LYS 24 2HE LYS 24 -9.027 0.826 -8.725 174 HE3 LYS 24 3HE LYS 24 -9.167 -0.119 -10.213 175 HZ1 LYS 24 3HZ LYS 24 -9.632 -2.079 -8.882 176 HZ2 LYS 24 1HZ LYS 24 -9.426 -1.264 -7.481 177 HZ3 LYS 24 2HZ LYS 24 -10.685 -0.906 -8.464 178 H GLY 25 H GLY 25 -2.367 -1.895 -9.056 179 HA2 GLY 25 2HA GLY 25 -0.313 -0.520 -10.599 180 HA3 GLY 25 3HA GLY 25 -0.078 -1.770 -9.376 181 H CYS 26 HN CYS 26 -1.786 -3.738 -10.808 182 HA CYS 26 HA CYS 26 -0.363 -4.108 -13.377 183 HB2 CYS 26 2HB CYS 26 0.336 -6.341 -12.936 184 HB3 CYS 26 3HB CYS 26 0.987 -5.284 -11.684 185 H MET 27 H MET 27 -3.330 -4.078 -11.969 186 HA MET 27 HA MET 27 -5.381 -4.729 -12.472 187 HB2 MET 27 2HB MET 27 -4.331 -5.068 -15.283 188 HB3 MET 27 3HB MET 27 -6.037 -5.129 -14.848 189 HG2 MET 27 2HG MET 27 -4.420 -2.713 -14.032 190 HG3 MET 27 3HG MET 27 -4.890 -2.916 -15.707 191 HE1 MET 27 3HE MET 27 -6.211 -2.706 -12.043 192 HE2 MET 27 1HE MET 27 -7.915 -2.235 -12.246 193 HE3 MET 27 2HE MET 27 -7.410 -3.903 -12.580 194 H GLU 28 H GLU 28 -4.294 -6.440 -10.976 195 HA GLU 28 HA GLU 28 -5.632 -8.946 -11.796 196 HB2 GLU 28 2HB GLU 28 -2.811 -8.812 -10.672 197 HB3 GLU 28 3HB GLU 28 -3.801 -10.249 -10.552 198 HG2 GLU 28 2HG GLU 28 -2.959 -8.923 -13.151 199 HG3 GLU 28 3HG GLU 28 -2.225 -10.350 -12.421 200 H LYS 29 H LYS 29 -6.179 -10.298 -9.998 201 HA LYS 29 HA LYS 29 -7.527 -8.699 -8.004 202 HB2 LYS 29 2HB LYS 29 -8.404 -10.866 -7.198 203 HB3 LYS 29 3HB LYS 29 -8.626 -10.587 -8.923 204 HG2 LYS 29 2HG LYS 29 -6.542 -12.037 -9.331 205 HG3 LYS 29 3HG LYS 29 -6.585 -12.461 -7.623 206 HD2 LYS 29 2HD LYS 29 -8.891 -12.885 -9.573 207 HD3 LYS 29 3HD LYS 29 -7.655 -14.098 -9.277 208 HE2 LYS 29 2HE LYS 29 -9.348 -12.929 -7.034 209 HE3 LYS 29 3HE LYS 29 -9.883 -14.304 -8.002 210 HZ1 LYS 29 3HZ LYS 29 -7.944 -15.547 -7.276 211 HZ2 LYS 29 1HZ LYS 29 -7.364 -14.275 -6.405 212 HZ3 LYS 29 2HZ LYS 29 -8.763 -14.980 -5.968 213 H ILE 30 H ILE 30 -7.101 -8.300 -5.944 214 HA ILE 30 HA ILE 30 -4.503 -9.113 -4.802 215 HB ILE 30 HB ILE 30 -6.629 -7.145 -3.947 216 HG12 ILE 30 2HG1 ILE 30 -3.715 -6.652 -4.668 217 HG13 ILE 30 3HG1 ILE 30 -5.006 -6.622 -5.862 218 HG21 ILE 30 1HG2 ILE 30 -5.168 -6.480 -2.100 219 HG22 ILE 30 2HG2 ILE 30 -5.643 -8.155 -1.896 220 HG23 ILE 30 3HG2 ILE 30 -4.015 -7.764 -2.509 221 HD11 ILE 30 3HD1 ILE 30 -6.132 -4.795 -4.647 222 HD12 ILE 30 1HD1 ILE 30 -4.798 -4.761 -3.463 223 HD13 ILE 30 2HD1 ILE 30 -4.490 -4.376 -5.156 224 H GLU 31 H GLU 31 -4.290 -10.798 -3.515 225 HA GLU 31 HA GLU 31 -6.518 -12.501 -2.912 226 HB2 GLU 31 2HB GLU 31 -3.643 -12.669 -1.996 227 HB3 GLU 31 3HB GLU 31 -4.854 -13.943 -1.831 228 HG2 GLU 31 2HG GLU 31 -3.823 -12.787 -4.458 229 HG3 GLU 31 3HG GLU 31 -3.327 -14.299 -3.725 230 H LYS 32 H LYS 32 -7.608 -12.919 -1.137 231 HA LYS 32 HA LYS 32 -7.815 -10.985 0.979 232 HB2 LYS 32 2HB LYS 32 -9.664 -12.460 0.179 233 HB3 LYS 32 3HB LYS 32 -8.850 -13.849 0.910 234 HG2 LYS 32 2HG LYS 32 -9.061 -12.749 3.154 235 HG3 LYS 32 3HG LYS 32 -9.889 -11.381 2.379 236 HD2 LYS 32 2HD LYS 32 -11.689 -12.896 1.633 237 HD3 LYS 32 3HD LYS 32 -10.835 -14.273 2.370 238 HE2 LYS 32 2HE LYS 32 -11.009 -13.200 4.596 239 HE3 LYS 32 3HE LYS 32 -11.839 -11.816 3.879 240 HZ1 LYS 32 3HZ LYS 32 -13.414 -13.392 4.838 241 HZ2 LYS 32 1HZ LYS 32 -13.645 -13.316 3.227 242 HZ3 LYS 32 2HZ LYS 32 -12.877 -14.601 3.884 243 H GLY 33 H GLY 33 -7.192 -11.043 3.101 244 HA2 GLY 33 2HA GLY 33 -5.997 -11.581 4.985 245 HA3 GLY 33 3HA GLY 33 -5.837 -13.223 4.367 246 H GLN 34 H GLN 34 -4.392 -10.932 2.185 247 HA GLN 34 HA GLN 34 -1.834 -10.896 3.683 248 HB2 GLN 34 2HB GLN 34 -0.544 -11.067 1.661 249 HB3 GLN 34 3HB GLN 34 -1.509 -12.499 1.941 250 HG2 GLN 34 2HG GLN 34 -1.526 -12.091 -0.417 251 HG3 GLN 34 3HG GLN 34 -3.132 -11.732 0.180 252 HE21 GLN 34 2HE2 GLN 34 -3.946 -9.656 -0.330 253 HE22 GLN 34 1HE2 GLN 34 -2.898 -8.260 -0.338 254 H VAL 35 H VAL 35 -0.474 -8.906 2.877 255 HA VAL 35 HA VAL 35 -2.091 -6.666 3.601 256 HB VAL 35 HB VAL 35 0.731 -6.751 2.500 257 HG11 VAL 35 1HG1 VAL 35 -0.137 -4.465 2.219 258 HG12 VAL 35 2HG1 VAL 35 -0.741 -4.465 3.893 259 HG13 VAL 35 3HG1 VAL 35 1.001 -4.514 3.555 260 HG21 VAL 35 3HG2 VAL 35 1.385 -6.450 4.847 261 HG22 VAL 35 1HG2 VAL 35 -0.317 -6.541 5.338 262 HG23 VAL 35 2HG2 VAL 35 0.488 -7.953 4.627 263 H ARG 36 H ARG 36 -2.933 -4.947 2.530 264 HA ARG 36 HA ARG 36 -2.522 -4.641 -0.391 265 HB2 ARG 36 2HB ARG 36 -4.811 -4.011 -0.769 266 HB3 ARG 36 3HB ARG 36 -4.723 -5.655 -0.136 267 HG2 ARG 36 2HG ARG 36 -5.524 -4.969 2.033 268 HG3 ARG 36 3HG ARG 36 -5.428 -3.267 1.605 269 HD2 ARG 36 2HD ARG 36 -7.137 -3.600 -0.169 270 HD3 ARG 36 3HD ARG 36 -7.287 -5.292 0.287 271 HE ARG 36 HE ARG 36 -7.679 -3.676 2.620 272 HH11 ARG 36 1HH2 ARG 36 -9.497 -4.420 -0.328 273 HH12 ARG 36 2HH2 ARG 36 -10.929 -3.688 0.325 274 HH21 ARG 36 1HH1 ARG 36 -9.548 -2.900 3.372 275 HH22 ARG 36 2HH1 ARG 36 -10.987 -2.912 2.370 276 H LEU 37 H LEU 37 -2.139 -2.595 -1.041 277 HA LEU 37 HA LEU 37 -2.207 -0.429 1.012 278 HB2 LEU 37 2HB LEU 37 -0.344 -0.518 -1.376 279 HB3 LEU 37 3HB LEU 37 -0.365 0.599 0.013 280 HG LEU 37 HG LEU 37 1.522 -0.649 0.263 281 HD11 LEU 37 1HD1 LEU 37 0.176 -0.307 2.250 282 HD12 LEU 37 2HD1 LEU 37 -0.435 -1.969 2.149 283 HD13 LEU 37 3HD1 LEU 37 1.302 -1.674 2.392 284 HD21 LEU 37 3HD2 LEU 37 0.020 -3.298 0.111 285 HD22 LEU 37 1HD2 LEU 37 0.961 -2.587 -1.215 286 HD23 LEU 37 2HD2 LEU 37 1.752 -3.025 0.317 287 H SER 38 H SER 38 -2.863 1.686 0.266 288 HA SER 38 HA SER 38 -3.775 1.832 -2.511 289 HB2 SER 38 2HB SER 38 -5.935 2.938 -1.878 290 HB3 SER 38 3HB SER 38 -5.855 1.220 -1.531 291 HG SER 38 HG SER 38 -5.825 1.611 0.574 292 H LYS 39 H LYS 39 -4.145 3.869 -3.383 293 HA LYS 39 HA LYS 39 -2.930 6.172 -1.883 294 HB2 LYS 39 2HB LYS 39 -1.678 5.721 -3.877 295 HB3 LYS 39 3HB LYS 39 -3.144 5.674 -4.874 296 HG2 LYS 39 2HG LYS 39 -3.535 8.028 -4.605 297 HG3 LYS 39 3HG LYS 39 -2.314 8.152 -3.316 298 HD2 LYS 39 2HD LYS 39 -0.545 7.605 -4.935 299 HD3 LYS 39 3HD LYS 39 -1.753 7.454 -6.224 300 HE2 LYS 39 2HE LYS 39 -0.779 9.599 -6.495 301 HE3 LYS 39 3HE LYS 39 -2.388 9.868 -5.821 302 HZ1 LYS 39 3HZ LYS 39 -0.691 11.211 -4.699 303 HZ2 LYS 39 1HZ LYS 39 -1.315 10.145 -3.625 304 HZ3 LYS 39 2HZ LYS 39 0.168 9.879 -4.292 305 H LYS 40 H LYS 40 -4.139 7.865 -1.387 306 HA LYS 40 HA LYS 40 -6.996 7.936 -2.224 307 HB2 LYS 40 2HB LYS 40 -6.731 7.957 0.090 308 HB3 LYS 40 3HB LYS 40 -5.464 9.152 0.072 309 HG2 LYS 40 2HG LYS 40 -8.337 9.714 -0.830 310 HG3 LYS 40 3HG LYS 40 -7.814 9.850 0.843 311 HD2 LYS 40 2HD LYS 40 -7.030 11.610 -1.477 312 HD3 LYS 40 3HD LYS 40 -7.803 12.058 0.039 313 HE2 LYS 40 2HE LYS 40 -5.687 11.554 1.267 314 HE3 LYS 40 3HE LYS 40 -4.940 11.061 -0.258 315 HZ1 LYS 40 3HZ LYS 40 -5.756 13.805 0.456 316 HZ2 LYS 40 1HZ LYS 40 -4.243 13.231 0.141 317 HZ3 LYS 40 2HZ LYS 40 -5.306 13.355 -1.066 318 H MET 41 H MET 41 -7.424 9.061 -4.020 319 HA MET 41 HA MET 41 -6.382 11.789 -4.367 320 HB2 MET 41 2HB MET 41 -5.341 11.406 -6.552 321 HB3 MET 41 3HB MET 41 -4.493 10.527 -5.284 322 HG2 MET 41 2HG MET 41 -5.657 8.436 -5.957 323 HG3 MET 41 3HG MET 41 -6.504 9.320 -7.229 324 HE1 MET 41 3HE MET 41 -4.946 6.666 -7.709 325 HE2 MET 41 1HE MET 41 -5.837 7.581 -8.955 326 HE3 MET 41 2HE MET 41 -4.168 7.039 -9.264 327 H VAL 42 H VAL 42 -7.752 13.083 -5.646 328 HA VAL 42 HA VAL 42 -10.125 12.297 -6.768 329 HB VAL 42 HB VAL 42 -8.238 14.337 -8.010 330 HG11 VAL 42 1HG1 VAL 42 -10.344 15.429 -8.776 331 HG12 VAL 42 2HG1 VAL 42 -10.122 13.839 -9.498 332 HG13 VAL 42 3HG1 VAL 42 -11.272 14.047 -8.153 333 HG21 VAL 42 3HG2 VAL 42 -10.331 14.663 -5.819 334 HG22 VAL 42 1HG2 VAL 42 -8.575 14.920 -5.675 335 HG23 VAL 42 2HG2 VAL 42 -9.535 16.005 -6.669 336 H ASP 43 H ASP 43 -10.814 11.110 -8.479 337 HA ASP 43 HA ASP 43 -8.961 9.571 -10.072 338 HB2 ASP 43 2HB ASP 43 -11.241 8.831 -9.355 339 HB3 ASP 43 3HB ASP 43 -11.946 10.003 -10.451 340 HA PRO 44 HA PRO 44 -8.309 12.861 -13.033 341 HB2 PRO 44 2HB PRO 44 -6.753 11.555 -14.894 342 HB3 PRO 44 3HB PRO 44 -6.169 12.009 -13.264 343 HG2 PRO 44 2HG PRO 44 -7.313 9.329 -14.141 344 HG3 PRO 44 3HG PRO 44 -5.776 9.638 -13.263 345 HD2 PRO 44 2HD PRO 44 -8.020 8.938 -11.956 346 HD3 PRO 44 3HD PRO 44 -6.924 10.179 -11.272 347 H GLU 45 H GLU 45 -10.105 9.997 -13.838 348 HA GLU 45 HA GLU 45 -11.152 11.269 -16.350 349 HB2 GLU 45 2HB GLU 45 -11.242 8.370 -15.434 350 HB3 GLU 45 3HB GLU 45 -12.007 9.017 -16.887 351 HG2 GLU 45 2HG GLU 45 -9.760 9.762 -17.712 352 HG3 GLU 45 3HG GLU 45 -9.013 8.975 -16.321 353 H LYS 46 H LYS 46 -11.854 10.909 -13.102 354 HA LYS 46 HA LYS 46 -14.724 11.585 -13.483 355 HB2 LYS 46 2HB LYS 46 -13.742 9.345 -11.674 356 HB3 LYS 46 3HB LYS 46 -15.358 10.057 -11.628 357 HG2 LYS 46 2HG LYS 46 -15.775 9.348 -13.943 358 HG3 LYS 46 3HG LYS 46 -14.195 8.540 -13.994 359 HD2 LYS 46 2HD LYS 46 -16.306 7.958 -11.878 360 HD3 LYS 46 3HD LYS 46 -16.212 7.080 -13.422 361 HE2 LYS 46 2HE LYS 46 -13.835 6.457 -12.884 362 HE3 LYS 46 3HE LYS 46 -14.016 7.215 -11.300 363 HZ1 LYS 46 3HZ LYS 46 -14.426 4.829 -11.184 364 HZ2 LYS 46 1HZ LYS 46 -15.815 5.612 -10.832 365 HZ3 LYS 46 2HZ LYS 46 -15.617 4.913 -12.295 366 HA PRO 47 HA PRO 47 -12.275 14.042 -10.303 367 HB2 PRO 47 2HB PRO 47 -12.647 16.580 -11.333 368 HB3 PRO 47 3HB PRO 47 -11.297 15.490 -11.775 369 HG2 PRO 47 2HG PRO 47 -13.924 15.882 -13.248 370 HG3 PRO 47 3HG PRO 47 -12.257 15.891 -13.923 371 HD2 PRO 47 2HD PRO 47 -13.793 13.680 -14.055 372 HD3 PRO 47 3HD PRO 47 -12.046 13.558 -13.686 373 H GLN 48 H GLN 48 -15.505 14.202 -11.614 374 HA GLN 48 HA GLN 48 -16.725 15.924 -9.675 375 HB2 GLN 48 2HB GLN 48 -17.862 13.689 -11.403 376 HB3 GLN 48 3HB GLN 48 -18.832 14.812 -10.437 377 HG2 GLN 48 2HG GLN 48 -17.872 16.732 -11.700 378 HG3 GLN 48 3HG GLN 48 -16.966 15.612 -12.718 379 HE21 GLN 48 2HE2 GLN 48 -18.475 17.222 -14.168 380 HE22 GLN 48 1HE2 GLN 48 -19.957 16.432 -14.688 381 H LEU 49 H LEU 49 -15.671 12.535 -9.367 382 HA LEU 49 HA LEU 49 -17.257 11.881 -7.040 383 HB2 LEU 49 2HB LEU 49 -14.473 11.053 -7.980 384 HB3 LEU 49 3HB LEU 49 -15.313 10.292 -6.641 385 HG LEU 49 HG LEU 49 -16.314 10.277 -9.519 386 HD11 LEU 49 1HD1 LEU 49 -14.951 8.169 -7.801 387 HD12 LEU 49 2HD1 LEU 49 -15.554 7.928 -9.459 388 HD13 LEU 49 3HD1 LEU 49 -14.196 9.038 -9.149 389 HD21 LEU 49 3HD2 LEU 49 -17.244 8.842 -6.992 390 HD22 LEU 49 1HD2 LEU 49 -18.159 10.049 -7.923 391 HD23 LEU 49 2HD2 LEU 49 -17.810 8.470 -8.641 392 H GLY 50 H GLY 50 -14.415 13.926 -7.442 393 HA2 GLY 50 2HA GLY 50 -12.840 14.740 -5.930 394 HA3 GLY 50 3HA GLY 50 -13.831 14.186 -4.575 395 H MET 51 H MET 51 -12.267 13.031 -3.528 396 HA MET 51 HA MET 51 -10.269 11.483 -4.746 397 HB2 MET 51 2HB MET 51 -10.823 11.027 -1.862 398 HB3 MET 51 3HB MET 51 -9.304 11.309 -2.689 399 HG2 MET 51 2HG MET 51 -11.388 13.359 -1.868 400 HG3 MET 51 3HG MET 51 -9.831 13.085 -1.107 401 HE1 MET 51 3HE MET 51 -7.595 14.158 -1.841 402 HE2 MET 51 1HE MET 51 -7.679 13.045 -3.230 403 HE3 MET 51 2HE MET 51 -7.302 14.765 -3.485 404 H ILE 52 H ILE 52 -9.913 9.351 -4.921 405 HA ILE 52 HA ILE 52 -11.781 7.444 -3.675 406 HB ILE 52 HB ILE 52 -11.409 5.912 -5.679 407 HG12 ILE 52 2HG1 ILE 52 -11.087 6.956 -7.875 408 HG13 ILE 52 3HG1 ILE 52 -10.658 8.492 -7.126 409 HG21 ILE 52 1HG2 ILE 52 -13.513 7.055 -5.141 410 HG22 ILE 52 2HG2 ILE 52 -13.028 8.436 -6.163 411 HG23 ILE 52 3HG2 ILE 52 -13.280 6.827 -6.881 412 HD11 ILE 52 3HD1 ILE 52 -8.590 7.548 -6.258 413 HD12 ILE 52 1HD1 ILE 52 -9.112 5.909 -6.691 414 HD13 ILE 52 2HD1 ILE 52 -8.721 7.107 -7.956 415 H ASP 53 H ASP 53 -10.819 5.206 -3.628 416 HA ASP 53 HA ASP 53 -8.014 5.395 -2.597 417 HB2 ASP 53 2HB ASP 53 -10.293 3.570 -1.762 418 HB3 ASP 53 3HB ASP 53 -8.636 3.479 -1.167 419 H ARG 54 H ARG 54 -6.929 4.912 -4.427 420 HA ARG 54 HA ARG 54 -7.537 2.677 -6.230 421 HB2 ARG 54 2HB ARG 54 -6.067 5.063 -6.389 422 HB3 ARG 54 3HB ARG 54 -4.798 3.872 -6.265 423 HG2 ARG 54 2HG ARG 54 -5.228 4.350 -8.571 424 HG3 ARG 54 3HG ARG 54 -5.706 2.681 -8.241 425 HD2 ARG 54 2HD ARG 54 -8.038 3.241 -8.323 426 HD3 ARG 54 3HD ARG 54 -7.689 4.945 -7.990 427 HE ARG 54 HE ARG 54 -6.594 4.225 -10.539 428 HH11 ARG 54 1HH2 ARG 54 -9.706 4.893 -9.046 429 HH12 ARG 54 2HH2 ARG 54 -10.257 5.822 -10.431 430 HH21 ARG 54 1HH1 ARG 54 -7.499 5.300 -12.340 431 HH22 ARG 54 2HH1 ARG 54 -9.128 5.923 -12.206 432 H TRP 55 H TRP 55 -7.207 0.559 -5.583 433 HA TRP 55 HA TRP 55 -5.242 -0.029 -3.485 434 HB2 TRP 55 2HB TRP 55 -7.261 -1.781 -4.893 435 HB3 TRP 55 3HB TRP 55 -6.143 -2.354 -3.666 436 HD1 TRP 55 HD1 TRP 55 -9.472 -0.783 -4.026 437 HE1 TRP 55 HE1 TRP 55 -10.479 -0.221 -1.742 438 HE3 TRP 55 HE3 TRP 55 -5.326 -1.498 -1.089 439 HZ2 TRP 55 HZ2 TRP 55 -9.577 0.047 0.989 440 HZ3 TRP 55 HZ3 TRP 55 -5.406 -0.969 1.337 441 HH2 TRP 55 HH2 TRP 55 -7.526 -0.220 2.389 442 H TYR 56 H TYR 56 -3.609 -1.511 -3.544 443 HA TYR 56 HA TYR 56 -2.454 -2.519 -6.073 444 HB2 TYR 56 2HB TYR 56 -1.044 -0.836 -3.957 445 HB3 TYR 56 3HB TYR 56 -0.294 -1.535 -5.387 446 HD1 TYR 56 HD2 TYR 56 -1.149 -0.797 -7.665 447 HD2 TYR 56 HD1 TYR 56 -2.057 1.343 -4.065 448 HE1 TYR 56 HE2 TYR 56 -1.745 1.227 -9.030 449 HE2 TYR 56 HE1 TYR 56 -2.684 3.343 -5.407 450 HH TYR 56 HH TYR 56 -2.825 4.265 -7.517 451 H HIS 57 H HIS 57 -0.940 -4.153 -5.798 452 HA HIS 57 HA HIS 57 -1.016 -5.949 -3.464 453 HB2 HIS 57 2HB HIS 57 0.804 -5.876 -5.883 454 HB3 HIS 57 3HB HIS 57 0.931 -7.073 -4.626 455 HD2 HIS 57 HD2 HIS 57 -1.489 -8.528 -4.144 456 HE1 HIS 57 HE1 HIS 57 -2.528 -8.486 -8.259 457 HE2 HIS 57 HE2 HIS 57 -2.951 -9.630 -6.065 458 HA PRO 58 HA PRO 58 2.596 -4.255 -1.238 459 HB2 PRO 58 2HB PRO 58 3.510 -7.118 -1.034 460 HB3 PRO 58 3HB PRO 58 3.400 -5.871 0.250 461 HG2 PRO 58 2HG PRO 58 1.482 -7.753 0.085 462 HG3 PRO 58 3HG PRO 58 1.005 -6.031 0.290 463 HD2 PRO 58 2HD PRO 58 1.134 -7.632 -2.286 464 HD3 PRO 58 3HD PRO 58 -0.209 -6.641 -1.648 465 H GLY 59 H GLY 59 3.208 -6.417 -3.960 466 HA2 GLY 59 2HA GLY 59 6.013 -5.549 -4.293 467 HA3 GLY 59 3HA GLY 59 5.056 -6.530 -5.410 468 H CYS 60 HN CYS 60 2.873 -4.965 -5.959 469 HA CYS 60 HA CYS 60 3.969 -3.348 -7.951 470 HB2 CYS 60 2HB CYS 60 1.090 -3.480 -6.995 471 HB3 CYS 60 3HB CYS 60 1.649 -2.975 -8.598 472 H PHE 61 H PHE 61 2.383 -2.359 -4.877 473 HA PHE 61 HA PHE 61 2.220 0.398 -5.574 474 HB2 PHE 61 2HB PHE 61 1.411 0.716 -3.525 475 HB3 PHE 61 3HB PHE 61 1.313 -1.039 -3.495 476 HD1 PHE 61 HD2 PHE 61 3.171 -2.351 -2.427 477 HD2 PHE 61 HD1 PHE 61 2.911 1.918 -2.109 478 HE1 PHE 61 HE2 PHE 61 4.614 -2.430 -0.382 479 HE2 PHE 61 HE1 PHE 61 4.348 1.860 -0.069 480 HZ PHE 61 HZ PHE 61 5.191 -0.313 0.802 481 H VAL 62 H VAL 62 4.958 -1.474 -4.263 482 HA VAL 62 HA VAL 62 6.799 0.756 -4.131 483 HB VAL 62 HB VAL 62 7.512 -2.164 -4.564 484 HG11 VAL 62 1HG1 VAL 62 9.096 0.175 -3.420 485 HG12 VAL 62 2HG1 VAL 62 9.643 -1.505 -3.495 486 HG13 VAL 62 3HG1 VAL 62 9.389 -0.615 -4.987 487 HG21 VAL 62 3HG2 VAL 62 7.885 -2.112 -2.036 488 HG22 VAL 62 1HG2 VAL 62 6.962 -0.597 -2.016 489 HG23 VAL 62 2HG2 VAL 62 6.205 -2.102 -2.562 490 H LYS 63 H LYS 63 5.994 -1.545 -6.760 491 HA LYS 63 HA LYS 63 7.936 -0.662 -8.635 492 HB2 LYS 63 2HB LYS 63 6.619 -2.736 -8.854 493 HB3 LYS 63 3HB LYS 63 5.145 -1.793 -9.075 494 HG2 LYS 63 2HG LYS 63 6.025 -0.861 -11.195 495 HG3 LYS 63 3HG LYS 63 7.504 -1.804 -10.978 496 HD2 LYS 63 2HD LYS 63 5.989 -2.908 -12.549 497 HD3 LYS 63 3HD LYS 63 6.233 -3.894 -11.114 498 HE2 LYS 63 2HE LYS 63 3.918 -3.991 -11.840 499 HE3 LYS 63 3HE LYS 63 4.017 -3.265 -10.240 500 HZ1 LYS 63 3HZ LYS 63 3.821 -1.635 -12.719 501 HZ2 LYS 63 1HZ LYS 63 2.507 -2.132 -11.892 502 HZ3 LYS 63 2HZ LYS 63 3.551 -1.125 -11.171 503 H ASN 64 H ASN 64 4.728 0.715 -7.919 504 HA ASN 64 HA ASN 64 5.298 2.974 -9.773 505 HB2 ASN 64 2HB ASN 64 2.651 3.281 -9.182 506 HB3 ASN 64 3HB ASN 64 3.351 2.612 -10.633 507 HD21 ASN 64 1HD2 ASN 64 1.705 1.796 -7.596 508 HD22 ASN 64 2HD2 ASN 64 1.245 0.200 -8.187 509 H ARG 65 H ARG 65 6.210 2.536 -6.772 510 HA ARG 65 HA ARG 65 5.098 4.374 -5.095 511 HB2 ARG 65 2HB ARG 65 7.249 4.450 -3.974 512 HB3 ARG 65 3HB ARG 65 7.060 2.855 -4.665 513 HG2 ARG 65 2HG ARG 65 8.403 3.742 -6.700 514 HG3 ARG 65 3HG ARG 65 8.772 5.156 -5.699 515 HD2 ARG 65 2HD ARG 65 9.927 3.807 -4.092 516 HD3 ARG 65 3HD ARG 65 9.413 2.304 -4.879 517 HE ARG 65 HE ARG 65 11.610 4.059 -5.648 518 HH11 ARG 65 1HH2 ARG 65 9.443 1.596 -6.942 519 HH12 ARG 65 2HH2 ARG 65 10.551 1.212 -8.235 520 HH21 ARG 65 1HH1 ARG 65 12.943 3.494 -7.322 521 HH22 ARG 65 2HH1 ARG 65 12.464 2.251 -8.439 522 H GLU 66 H GLU 66 7.185 5.139 -7.784 523 HA GLU 66 HA GLU 66 7.540 7.941 -7.211 524 HB2 GLU 66 2HB GLU 66 8.651 7.936 -9.422 525 HB3 GLU 66 3HB GLU 66 9.233 6.656 -8.347 526 HG2 GLU 66 2HG GLU 66 7.871 4.978 -9.522 527 HG3 GLU 66 3HG GLU 66 7.185 6.212 -10.575 528 H GLU 67 H GLU 67 5.175 6.092 -8.981 529 HA GLU 67 HA GLU 67 3.821 8.367 -10.244 530 HB2 GLU 67 2HB GLU 67 2.799 5.564 -9.740 531 HB3 GLU 67 3HB GLU 67 2.123 6.752 -10.833 532 HG2 GLU 67 2HG GLU 67 4.762 5.270 -11.097 533 HG3 GLU 67 3HG GLU 67 3.288 4.967 -12.000 534 H LEU 68 H LEU 68 3.470 6.209 -7.398 535 HA LEU 68 HA LEU 68 1.102 7.494 -6.403 536 HB2 LEU 68 2HB LEU 68 3.081 5.739 -4.906 537 HB3 LEU 68 3HB LEU 68 1.445 6.131 -4.400 538 HG LEU 68 HG LEU 68 2.271 4.389 -6.752 539 HD11 LEU 68 1HD1 LEU 68 1.030 2.658 -5.529 540 HD12 LEU 68 2HD1 LEU 68 2.348 3.326 -4.546 541 HD13 LEU 68 3HD1 LEU 68 0.666 3.817 -4.239 542 HD21 LEU 68 3HD2 LEU 68 -0.042 3.989 -7.238 543 HD22 LEU 68 1HD2 LEU 68 -0.555 5.178 -6.018 544 HD23 LEU 68 2HD2 LEU 68 0.327 5.684 -7.486 545 H GLY 69 H GLY 69 4.484 8.294 -5.952 546 HA2 GLY 69 2HA GLY 69 4.941 10.643 -5.636 547 HA3 GLY 69 3HA GLY 69 3.568 10.785 -4.543 548 H PHE 70 H PHE 70 5.766 8.055 -4.173 549 HA PHE 70 HA PHE 70 6.502 8.821 -1.494 550 HB2 PHE 70 2HB PHE 70 7.313 6.611 -3.383 551 HB3 PHE 70 3HB PHE 70 8.202 6.869 -1.901 552 HD1 PHE 70 HD1 PHE 70 4.859 5.872 -3.233 553 HD2 PHE 70 HD2 PHE 70 7.323 6.374 0.253 554 HE1 PHE 70 HE1 PHE 70 3.258 4.521 -1.901 555 HE2 PHE 70 HE2 PHE 70 5.727 5.046 1.599 556 HZ PHE 70 HZ PHE 70 3.683 4.107 0.514 557 H ARG 71 H ARG 71 8.315 9.612 -0.655 558 HA ARG 71 HA ARG 71 10.617 10.525 -2.299 559 HB2 ARG 71 2HB ARG 71 9.003 12.167 -0.283 560 HB3 ARG 71 3HB ARG 71 10.505 12.699 -1.017 561 HG2 ARG 71 2HG ARG 71 9.481 12.610 -3.271 562 HG3 ARG 71 3HG ARG 71 7.934 12.137 -2.540 563 HD2 ARG 71 2HD ARG 71 7.943 14.188 -1.177 564 HD3 ARG 71 3HD ARG 71 9.441 14.713 -1.939 565 HE ARG 71 HE ARG 71 6.726 14.707 -3.098 566 HH11 ARG 71 1HH2 ARG 71 10.125 15.057 -3.901 567 HH12 ARG 71 2HH2 ARG 71 9.772 15.856 -5.408 568 HH21 ARG 71 1HH1 ARG 71 6.360 15.735 -5.026 569 HH22 ARG 71 2HH1 ARG 71 7.697 16.223 -6.021 570 HA PRO 72 HA PRO 72 13.207 8.891 0.712 571 HB2 PRO 72 2HB PRO 72 14.410 11.553 1.461 572 HB3 PRO 72 3HB PRO 72 15.230 10.036 0.973 573 HG2 PRO 72 2HG PRO 72 14.950 12.046 -0.815 574 HG3 PRO 72 3HG PRO 72 14.599 10.359 -1.325 575 HD2 PRO 72 2HD PRO 72 12.627 12.497 -0.439 576 HD3 PRO 72 3HD PRO 72 12.556 11.444 -1.879 577 H GLU 73 H GLU 73 11.394 11.583 2.071 578 HA GLU 73 HA GLU 73 11.827 10.694 4.861 579 HB2 GLU 73 2HB GLU 73 10.795 12.761 5.520 580 HB3 GLU 73 3HB GLU 73 12.100 13.071 4.377 581 HG2 GLU 73 2HG GLU 73 10.387 13.308 2.543 582 HG3 GLU 73 3HG GLU 73 9.118 13.089 3.749 583 H TYR 74 H TYR 74 9.908 9.773 2.385 584 HA TYR 74 HA TYR 74 7.674 8.936 4.170 585 HB2 TYR 74 2HB TYR 74 7.588 8.851 1.163 586 HB3 TYR 74 3HB TYR 74 6.269 8.644 2.300 587 HD1 TYR 74 HD2 TYR 74 6.945 11.236 4.014 588 HD2 TYR 74 HD1 TYR 74 6.534 10.446 -0.202 589 HE1 TYR 74 HE2 TYR 74 6.460 13.638 3.586 590 HE2 TYR 74 HE1 TYR 74 6.139 12.804 -0.641 591 HH TYR 74 HH TYR 74 5.843 14.918 0.297 592 H SER 75 H SER 75 8.970 7.402 5.095 593 HA SER 75 HA SER 75 9.798 4.989 3.609 594 HB2 SER 75 2HB SER 75 10.635 5.735 5.950 595 HB3 SER 75 3HB SER 75 9.059 5.199 6.545 596 HG SER 75 HG SER 75 10.584 3.514 6.664 597 H ALA 76 H ALA 76 8.624 2.921 4.229 598 HA ALA 76 HA ALA 76 5.868 2.900 3.456 599 HB1 ALA 76 1HB ALA 76 5.916 0.577 4.247 600 HB2 ALA 76 2HB ALA 76 7.360 0.951 3.283 601 HB3 ALA 76 3HB ALA 76 7.472 0.861 5.059 602 H SER 77 H SER 77 7.311 3.635 6.545 603 HA SER 77 HA SER 77 5.002 3.092 8.193 604 HB2 SER 77 2HB SER 77 6.207 4.382 9.907 605 HB3 SER 77 3HB SER 77 7.224 3.144 9.144 606 HG SER 77 HG SER 77 8.434 4.969 9.198 607 H GLN 78 H GLN 78 5.547 5.590 5.874 608 HA GLN 78 HA GLN 78 3.668 7.401 7.161 609 HB2 GLN 78 2HB GLN 78 5.308 7.636 4.639 610 HB3 GLN 78 3HB GLN 78 4.014 8.759 5.039 611 HG2 GLN 78 2HG GLN 78 6.188 9.666 5.676 612 HG3 GLN 78 3HG GLN 78 5.076 9.536 7.013 613 HE21 GLN 78 2HE2 GLN 78 5.578 8.109 8.757 614 HE22 GLN 78 1HE2 GLN 78 7.069 7.144 8.767 615 H LEU 79 H LEU 79 3.074 4.570 5.839 616 HA LEU 79 HA LEU 79 0.591 5.291 4.380 617 HB2 LEU 79 2HB LEU 79 1.849 2.657 5.243 618 HB3 LEU 79 3HB LEU 79 0.284 2.772 4.465 619 HG LEU 79 HG LEU 79 2.686 3.944 3.048 620 HD11 LEU 79 1HD1 LEU 79 3.068 1.785 1.920 621 HD12 LEU 79 2HD1 LEU 79 3.432 1.665 3.641 622 HD13 LEU 79 3HD1 LEU 79 1.925 0.992 3.017 623 HD21 LEU 79 3HD2 LEU 79 0.282 2.424 1.982 624 HD22 LEU 79 1HD2 LEU 79 0.293 4.170 2.252 625 HD23 LEU 79 2HD2 LEU 79 1.413 3.454 1.082 626 H LYS 80 H LYS 80 -1.400 5.370 5.336 627 HA LYS 80 HA LYS 80 -1.864 5.441 8.115 628 HB2 LYS 80 2HB LYS 80 -3.901 4.371 6.120 629 HB3 LYS 80 3HB LYS 80 -4.228 5.098 7.686 630 HG2 LYS 80 2HG LYS 80 -3.473 7.284 6.851 631 HG3 LYS 80 3HG LYS 80 -3.093 6.544 5.276 632 HD2 LYS 80 2HD LYS 80 -5.663 5.745 5.458 633 HD3 LYS 80 3HD LYS 80 -5.768 7.127 6.563 634 HE2 LYS 80 2HE LYS 80 -4.765 8.565 4.757 635 HE3 LYS 80 3HE LYS 80 -4.734 7.147 3.692 636 HZ1 LYS 80 3HZ LYS 80 -7.201 8.338 4.869 637 HZ2 LYS 80 1HZ LYS 80 -6.730 8.526 3.320 638 HZ3 LYS 80 2HZ LYS 80 -7.171 7.051 3.864 639 H GLY 81 H GLY 81 -2.316 3.901 9.666 640 HA2 GLY 81 2HA GLY 81 -2.698 1.856 10.677 641 HA3 GLY 81 3HA GLY 81 -3.445 1.349 9.160 642 H PHE 82 H PHE 82 -0.123 2.172 8.720 643 HA PHE 82 HA PHE 82 0.762 -0.419 8.007 644 HB2 PHE 82 2HB PHE 82 1.980 1.411 7.182 645 HB3 PHE 82 3HB PHE 82 2.046 2.217 8.737 646 HD1 PHE 82 HD1 PHE 82 3.671 1.623 10.460 647 HD2 PHE 82 HD2 PHE 82 3.754 -0.203 6.551 648 HE1 PHE 82 HE1 PHE 82 6.006 0.884 10.857 649 HE2 PHE 82 HE2 PHE 82 6.101 -0.912 6.948 650 HZ PHE 82 HZ PHE 82 7.220 -0.388 9.098 651 H SER 83 H SER 83 0.916 1.357 11.082 652 HA SER 83 HA SER 83 2.513 -0.401 12.626 653 HB2 SER 83 2HB SER 83 1.451 0.837 14.530 654 HB3 SER 83 3HB SER 83 2.088 1.893 13.247 655 HG SER 83 HG SER 83 -0.033 2.502 13.942 656 H LEU 84 H LEU 84 -0.915 -0.569 11.806 657 HA LEU 84 HA LEU 84 -1.649 -2.410 13.887 658 HB2 LEU 84 2HB LEU 84 -2.980 -0.577 12.438 659 HB3 LEU 84 3HB LEU 84 -3.220 -1.936 11.349 660 HG LEU 84 HG LEU 84 -4.270 -3.199 13.300 661 HD11 LEU 84 1HD1 LEU 84 -3.277 -1.967 15.191 662 HD12 LEU 84 2HD1 LEU 84 -3.998 -0.454 14.615 663 HD13 LEU 84 3HD1 LEU 84 -5.033 -1.771 15.224 664 HD21 LEU 84 3HD2 LEU 84 -5.617 -2.004 11.611 665 HD22 LEU 84 1HD2 LEU 84 -6.371 -1.903 13.211 666 HD23 LEU 84 2HD2 LEU 84 -5.487 -0.504 12.555 667 H LEU 85 H LEU 85 -0.026 -2.905 10.933 668 HA LEU 85 HA LEU 85 -0.994 -5.607 10.343 669 HB2 LEU 85 2HB LEU 85 1.562 -4.202 9.504 670 HB3 LEU 85 3HB LEU 85 0.901 -5.657 8.779 671 HG LEU 85 HG LEU 85 -0.467 -2.926 8.684 672 HD11 LEU 85 1HD1 LEU 85 1.149 -4.405 6.570 673 HD12 LEU 85 2HD1 LEU 85 0.272 -2.877 6.339 674 HD13 LEU 85 3HD1 LEU 85 1.661 -2.941 7.436 675 HD21 LEU 85 3HD2 LEU 85 -1.054 -5.451 7.149 676 HD22 LEU 85 1HD2 LEU 85 -2.061 -4.779 8.451 677 HD23 LEU 85 2HD2 LEU 85 -1.846 -3.879 6.940 678 H ALA 86 H ALA 86 0.545 -7.513 10.404 679 HA ALA 86 HA ALA 86 1.808 -7.917 12.959 680 HB1 ALA 86 1HB ALA 86 2.679 -9.995 11.854 681 HB2 ALA 86 2HB ALA 86 0.928 -9.793 11.705 682 HB3 ALA 86 3HB ALA 86 1.980 -9.427 10.318 683 H THR 87 H THR 87 3.990 -7.973 13.529 684 HA THR 87 HA THR 87 5.664 -5.950 12.607 685 HB THR 87 HB THR 87 6.543 -8.531 13.931 686 HG1 THR 87 1HG THR 87 6.136 -7.384 15.839 687 HG21 THR 87 1HG2 THR 87 7.739 -5.719 13.961 688 HG22 THR 87 2HG2 THR 87 8.298 -7.080 14.963 689 HG23 THR 87 3HG2 THR 87 8.467 -7.152 13.203 690 H GLU 88 H GLU 88 5.669 -9.373 11.580 691 HA GLU 88 HA GLU 88 8.018 -9.310 9.999 692 HB2 GLU 88 2HB GLU 88 7.232 -11.338 9.001 693 HB3 GLU 88 3HB GLU 88 6.889 -11.356 10.729 694 HG2 GLU 88 2HG GLU 88 4.505 -10.694 10.203 695 HG3 GLU 88 3HG GLU 88 4.890 -10.835 8.486 696 H ASP 89 H ASP 89 4.770 -8.108 9.219 697 HA ASP 89 HA ASP 89 5.482 -7.633 6.383 698 HB2 ASP 89 2HB ASP 89 3.032 -6.925 8.038 699 HB3 ASP 89 3HB ASP 89 3.265 -6.456 6.357 700 H LYS 90 H LYS 90 5.177 -5.754 9.418 701 HA LYS 90 HA LYS 90 5.669 -3.167 8.258 702 HB2 LYS 90 2HB LYS 90 6.043 -4.313 11.041 703 HB3 LYS 90 3HB LYS 90 6.439 -2.633 10.673 704 HG2 LYS 90 2HG LYS 90 4.270 -1.984 10.406 705 HG3 LYS 90 3HG LYS 90 3.770 -3.507 9.688 706 HD2 LYS 90 2HD LYS 90 2.621 -3.240 11.755 707 HD3 LYS 90 3HD LYS 90 3.743 -4.590 11.887 708 HE2 LYS 90 2HE LYS 90 5.315 -3.185 13.169 709 HE3 LYS 90 3HE LYS 90 4.232 -1.795 12.975 710 HZ1 LYS 90 3HZ LYS 90 3.879 -2.917 15.123 711 HZ2 LYS 90 1HZ LYS 90 2.525 -3.011 14.203 712 HZ3 LYS 90 2HZ LYS 90 3.495 -4.317 14.371 713 H GLU 91 H GLU 91 8.018 -5.581 9.508 714 HA GLU 91 HA GLU 91 10.278 -3.886 8.781 715 HB2 GLU 91 2HB GLU 91 11.696 -5.744 9.246 716 HB3 GLU 91 3HB GLU 91 10.499 -5.572 10.527 717 HG2 GLU 91 2HG GLU 91 9.227 -7.457 9.658 718 HG3 GLU 91 3HG GLU 91 10.285 -7.592 8.256 719 H ALA 92 H ALA 92 8.464 -6.418 6.992 720 HA ALA 92 HA ALA 92 10.340 -6.535 4.817 721 HB1 ALA 92 1HB ALA 92 8.559 -7.780 3.680 722 HB2 ALA 92 2HB ALA 92 8.813 -8.359 5.336 723 HB3 ALA 92 3HB ALA 92 7.411 -7.325 4.958 724 H LEU 93 H LEU 93 7.360 -4.599 5.303 725 HA LEU 93 HA LEU 93 7.297 -3.429 2.687 726 HB2 LEU 93 2HB LEU 93 6.233 -2.576 5.401 727 HB3 LEU 93 3HB LEU 93 5.935 -1.642 3.936 728 HG LEU 93 HG LEU 93 5.105 -4.558 4.197 729 HD11 LEU 93 1HD1 LEU 93 3.470 -2.023 4.645 730 HD12 LEU 93 2HD1 LEU 93 2.858 -3.693 4.664 731 HD13 LEU 93 3HD1 LEU 93 3.992 -3.160 5.910 732 HD21 LEU 93 3HD2 LEU 93 4.273 -2.344 2.278 733 HD22 LEU 93 1HD2 LEU 93 5.285 -3.752 1.878 734 HD23 LEU 93 2HD2 LEU 93 3.593 -3.985 2.337 735 H LYS 94 H LYS 94 8.900 -2.300 5.727 736 HA LYS 94 HA LYS 94 10.128 0.012 4.517 737 HB2 LYS 94 2HB LYS 94 10.895 -1.695 6.924 738 HB3 LYS 94 3HB LYS 94 11.746 -0.224 6.434 739 HG2 LYS 94 2HG LYS 94 9.581 1.048 6.630 740 HG3 LYS 94 3HG LYS 94 8.836 -0.391 7.332 741 HD2 LYS 94 2HD LYS 94 11.291 1.059 8.414 742 HD3 LYS 94 3HD LYS 94 9.652 1.270 9.034 743 HE2 LYS 94 2HE LYS 94 9.569 -0.896 9.979 744 HE3 LYS 94 3HE LYS 94 10.897 -1.499 8.984 745 HZ1 LYS 94 3HZ LYS 94 12.454 -0.220 10.186 746 HZ2 LYS 94 1HZ LYS 94 11.304 0.602 11.032 747 HZ3 LYS 94 2HZ LYS 94 11.562 -0.982 11.332 748 H LYS 95 H LYS 95 11.237 -3.388 4.911 749 HA LYS 95 HA LYS 95 13.770 -2.858 3.702 750 HB2 LYS 95 2HB LYS 95 12.270 -5.410 4.286 751 HB3 LYS 95 3HB LYS 95 13.727 -5.455 3.285 752 HG2 LYS 95 2HG LYS 95 15.020 -4.272 4.997 753 HG3 LYS 95 3HG LYS 95 13.619 -4.192 6.064 754 HD2 LYS 95 2HD LYS 95 14.806 -6.822 5.063 755 HD3 LYS 95 3HD LYS 95 15.369 -5.993 6.522 756 HE2 LYS 95 2HE LYS 95 13.073 -6.061 7.459 757 HE3 LYS 95 3HE LYS 95 12.517 -6.970 6.049 758 HZ1 LYS 95 3HZ LYS 95 13.156 -8.353 8.045 759 HZ2 LYS 95 1HZ LYS 95 13.957 -8.784 6.672 760 HZ3 LYS 95 2HZ LYS 95 14.701 -7.908 7.836 761 H GLN 96 H GLN 96 10.718 -3.400 2.125 762 HA GLN 96 HA GLN 96 11.996 -3.637 -0.524 763 HB2 GLN 96 2HB GLN 96 9.877 -4.902 0.322 764 HB3 GLN 96 3HB GLN 96 9.038 -3.376 0.074 765 HG2 GLN 96 2HG GLN 96 8.701 -4.693 -1.886 766 HG3 GLN 96 3HG GLN 96 9.839 -3.432 -2.339 767 HE21 GLN 96 2HE2 GLN 96 10.005 -5.212 -4.160 768 HE22 GLN 96 1HE2 GLN 96 11.279 -6.393 -3.894 769 H LEU 97 H LEU 97 10.304 -1.223 1.450 770 HA LEU 97 HA LEU 97 11.098 0.944 -0.424 771 HB2 LEU 97 2HB LEU 97 8.773 0.246 -0.867 772 HB3 LEU 97 3HB LEU 97 8.363 0.485 0.828 773 HG LEU 97 HG LEU 97 8.897 2.960 0.544 774 HD11 LEU 97 1HD1 LEU 97 10.384 2.814 -1.431 775 HD12 LEU 97 2HD1 LEU 97 9.014 2.218 -2.399 776 HD13 LEU 97 3HD1 LEU 97 8.988 3.862 -1.724 777 HD21 LEU 97 3HD2 LEU 97 6.837 3.357 -0.831 778 HD22 LEU 97 1HD2 LEU 97 6.790 1.629 -1.187 779 HD23 LEU 97 2HD2 LEU 97 6.642 2.199 0.499 780 HA PRO 98 HA PRO 98 12.009 2.034 3.940 781 HB2 PRO 98 2HB PRO 98 14.760 2.292 3.815 782 HB3 PRO 98 3HB PRO 98 13.890 0.772 4.136 783 HG2 PRO 98 2HG PRO 98 15.325 1.593 1.670 784 HG3 PRO 98 3HG PRO 98 14.837 -0.041 2.221 785 HD2 PRO 98 2HD PRO 98 13.528 1.669 0.279 786 HD3 PRO 98 3HD PRO 98 13.091 0.021 0.802 787 H GLY 99 H GLY 99 12.123 4.182 4.727 788 HA2 GLY 99 2HA GLY 99 12.827 6.430 2.944 789 HA3 GLY 99 3HA GLY 99 12.211 6.519 4.588 790 H VAL 100 H VAL 100 13.939 8.141 4.509 791 HA VAL 100 HA VAL 100 16.702 7.459 4.506 792 HB VAL 100 HB VAL 100 16.051 9.673 3.995 793 HG11 VAL 100 1HG1 VAL 100 15.224 10.124 6.884 794 HG12 VAL 100 2HG1 VAL 100 15.226 11.316 5.572 795 HG13 VAL 100 3HG1 VAL 100 14.091 9.962 5.526 796 HG21 VAL 100 3HG2 VAL 100 18.299 9.319 4.950 797 HG22 VAL 100 1HG2 VAL 100 17.669 10.944 5.249 798 HG23 VAL 100 2HG2 VAL 100 17.673 9.754 6.561 799 H LYS 101 H LYS 101 18.000 6.652 5.826 800 HA LYS 101 HA LYS 101 17.211 6.130 8.649 801 HB2 LYS 101 2HB LYS 101 17.183 4.338 6.643 802 HB3 LYS 101 3HB LYS 101 18.870 4.148 7.118 803 HG2 LYS 101 2HG LYS 101 18.201 3.606 9.403 804 HG3 LYS 101 3HG LYS 101 16.519 4.051 9.061 805 HD2 LYS 101 2HD LYS 101 17.934 1.747 7.663 806 HD3 LYS 101 3HD LYS 101 16.982 1.575 9.148 807 HE2 LYS 101 2HE LYS 101 15.007 2.563 8.007 808 HE3 LYS 101 3HE LYS 101 15.921 2.630 6.492 809 HZ1 LYS 101 3HZ LYS 101 14.542 0.613 6.666 810 HZ2 LYS 101 1HZ LYS 101 16.130 0.195 6.610 811 HZ3 LYS 101 2HZ LYS 101 15.313 0.144 8.024 812 H SER 102 H SER 102 19.213 8.063 7.197 813 HA SER 102 HA SER 102 21.831 7.341 7.760 814 HB2 SER 102 2HB SER 102 20.724 10.164 7.582 815 HB3 SER 102 3HB SER 102 22.395 9.651 7.269 816 HG SER 102 HG SER 102 21.221 9.837 5.323 817 H GLU 103 H GLU 103 19.600 8.505 10.160 818 HA GLU 103 HA GLU 103 21.600 9.495 12.039 819 HB2 GLU 103 2HB GLU 103 18.741 8.533 12.451 820 HB3 GLU 103 3HB GLU 103 19.755 9.264 13.701 821 HG2 GLU 103 2HG GLU 103 20.004 11.297 12.199 822 HG3 GLU 103 3HG GLU 103 18.759 10.598 11.158 823 H GLY 104 H GLY 104 20.823 6.301 11.013 824 HA2 GLY 104 2HA GLY 104 21.799 4.303 11.563 825 HA3 GLY 104 3HA GLY 104 22.797 5.141 12.751 826 H LYS 105 H LYS 105 20.295 6.098 14.186 827 HA LYS 105 HA LYS 105 19.799 3.753 15.893 828 HB2 LYS 105 2HB LYS 105 18.778 6.625 16.024 829 HB3 LYS 105 3HB LYS 105 18.518 5.389 17.261 830 HG2 LYS 105 2HG LYS 105 20.965 5.194 17.604 831 HG3 LYS 105 3HG LYS 105 21.238 6.468 16.401 832 HD2 LYS 105 2HD LYS 105 19.861 8.035 17.769 833 HD3 LYS 105 3HD LYS 105 19.686 6.793 19.014 834 HE2 LYS 105 2HE LYS 105 22.341 7.955 18.040 835 HE3 LYS 105 3HE LYS 105 21.466 8.520 19.464 836 HZ1 LYS 105 3HZ LYS 105 23.172 6.941 20.094 837 HZ2 LYS 105 1HZ LYS 105 21.715 6.294 20.429 838 HZ3 LYS 105 2HZ LYS 105 22.563 5.780 19.127 839 H ARG 106 H ARG 106 18.349 4.872 13.102 840 HA ARG 106 HA ARG 106 15.540 4.442 13.712 841 HB2 ARG 106 2HB ARG 106 17.057 5.000 11.144 842 HB3 ARG 106 3HB ARG 106 15.292 4.867 11.229 843 HG2 ARG 106 2HG ARG 106 15.160 6.767 12.754 844 HG3 ARG 106 3HG ARG 106 16.930 6.919 12.776 845 HD2 ARG 106 2HD ARG 106 16.970 7.380 10.376 846 HD3 ARG 106 3HD ARG 106 15.224 7.081 10.258 847 HE ARG 106 HE ARG 106 16.223 9.283 12.029 848 HH11 ARG 106 1HH2 ARG 106 14.657 8.577 8.948 849 HH12 ARG 106 2HH2 ARG 106 13.845 10.124 8.963 850 HH21 ARG 106 1HH1 ARG 106 15.436 11.161 11.850 851 HH22 ARG 106 2HH1 ARG 106 14.337 11.636 10.552 852 H LYS 107 H LYS 107 16.584 2.182 14.505 853 HA LYS 107 HA LYS 107 16.055 0.092 12.418 854 HB2 LYS 107 2HB LYS 107 17.991 -0.011 14.763 855 HB3 LYS 107 3HB LYS 107 17.728 -1.304 13.599 856 HG2 LYS 107 2HG LYS 107 18.867 1.445 12.947 857 HG3 LYS 107 3HG LYS 107 19.805 -0.021 13.173 858 HD2 LYS 107 2HD LYS 107 17.714 0.341 10.982 859 HD3 LYS 107 3HD LYS 107 19.442 0.630 10.781 860 HE2 LYS 107 2HE LYS 107 19.960 -1.703 11.298 861 HE3 LYS 107 3HE LYS 107 18.263 -2.044 11.647 862 HZ1 LYS 107 3HZ LYS 107 17.722 -1.552 9.332 863 HZ2 LYS 107 1HZ LYS 107 19.294 -1.205 8.989 864 HZ3 LYS 107 2HZ LYS 107 18.862 -2.726 9.392 865 H GLY 108 H GLY 108 14.045 1.273 14.194 866 HA2 GLY 108 2HA GLY 108 13.136 -0.577 16.146 867 HA3 GLY 108 3HA GLY 108 12.113 0.466 15.157 868 H ASP 109 H ASP 109 12.730 -2.641 15.939 869 HA ASP 109 HA ASP 109 12.352 -4.707 15.195 870 HB2 ASP 109 2HB ASP 109 10.283 -3.439 13.386 871 HB3 ASP 109 3HB ASP 109 10.438 -5.164 13.707 872 H GLU 110 H GLU 110 14.428 -3.065 13.838 873 HA GLU 110 HA GLU 110 15.051 -5.072 11.689 874 HB2 GLU 110 2HB GLU 110 15.913 -2.167 11.892 875 HB3 GLU 110 3HB GLU 110 16.511 -3.330 10.707 876 HG2 GLU 110 2HG GLU 110 14.304 -3.542 9.700 877 HG3 GLU 110 3HG GLU 110 13.596 -2.492 10.936 878 H VAL 111 H VAL 111 16.022 -3.668 14.684 879 HA VAL 111 HA VAL 111 18.812 -4.485 14.528 880 HB VAL 111 HB VAL 111 17.946 -2.439 15.674 881 HG11 VAL 111 1HG1 VAL 111 17.083 -2.560 17.942 882 HG12 VAL 111 2HG1 VAL 111 15.995 -3.412 16.838 883 HG13 VAL 111 3HG1 VAL 111 17.091 -4.333 17.893 884 HG21 VAL 111 3HG2 VAL 111 19.603 -4.164 17.529 885 HG22 VAL 111 1HG2 VAL 111 20.226 -3.307 16.099 886 HG23 VAL 111 2HG2 VAL 111 19.529 -2.398 17.450 887 H ASP 112 H ASP 112 16.090 -6.237 15.092 888 HA ASP 112 HA ASP 112 16.921 -8.013 17.237 889 HB2 ASP 112 2HB ASP 112 14.565 -7.526 16.761 890 HB3 ASP 112 3HB ASP 112 14.707 -8.276 15.175 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -1.793 8.915 21.261 2 H2 GLY 1 H2 GLY 1 -2.901 7.816 21.756 3 H3 GLY 1 H3 GLY 1 -1.992 7.521 20.425 4 HA2 GLY 1 2HA GLY 1 -0.960 7.732 23.181 5 HA3 GLY 1 3HA GLY 1 -1.201 6.214 22.295 6 H SER 2 H SER 2 1.279 7.582 23.410 7 HA SER 2 HA SER 2 2.809 8.722 21.304 8 HB2 SER 2 2HB SER 2 4.690 8.506 22.910 9 HB3 SER 2 3HB SER 2 3.232 9.223 23.614 10 HG SER 2 HG SER 2 4.059 7.675 25.019 11 H LYS 3 H LYS 3 2.195 5.395 21.849 12 HA LYS 3 HA LYS 3 4.638 4.375 20.558 13 HB2 LYS 3 2HB LYS 3 2.099 3.101 21.636 14 HB3 LYS 3 3HB LYS 3 3.249 2.187 20.675 15 HG2 LYS 3 2HG LYS 3 3.657 1.791 23.006 16 HG3 LYS 3 3HG LYS 3 5.045 2.589 22.267 17 HD2 LYS 3 2HD LYS 3 4.467 4.706 23.325 18 HD3 LYS 3 3HD LYS 3 2.937 4.031 23.937 19 HE2 LYS 3 2HE LYS 3 4.218 2.414 25.310 20 HE3 LYS 3 3HE LYS 3 5.735 3.060 24.671 21 HZ1 LYS 3 3HZ LYS 3 3.767 4.608 26.273 22 HZ2 LYS 3 1HZ LYS 3 5.201 4.050 26.821 23 HZ3 LYS 3 2HZ LYS 3 5.159 5.210 25.671 24 H ALA 4 H ALA 4 1.757 5.713 19.329 25 HA ALA 4 HA ALA 4 1.620 4.153 16.867 26 HB1 ALA 4 1HB ALA 4 0.388 6.838 17.613 27 HB2 ALA 4 2HB ALA 4 -0.060 5.823 16.227 28 HB3 ALA 4 3HB ALA 4 -0.360 5.244 17.875 29 H GLU 5 H GLU 5 1.828 5.213 14.717 30 HA GLU 5 HA GLU 5 4.099 7.157 14.541 31 HB2 GLU 5 2HB GLU 5 3.599 4.726 12.784 32 HB3 GLU 5 3HB GLU 5 4.773 6.007 12.451 33 HG2 GLU 5 2HG GLU 5 5.879 5.518 14.656 34 HG3 GLU 5 3HG GLU 5 4.791 4.143 14.863 35 H LYS 6 H LYS 6 4.077 8.634 12.859 36 HA LYS 6 HA LYS 6 1.428 9.584 12.134 37 HB2 LYS 6 2HB LYS 6 3.259 11.071 12.888 38 HB3 LYS 6 3HB LYS 6 4.202 10.651 11.447 39 HG2 LYS 6 2HG LYS 6 2.473 11.613 10.011 40 HG3 LYS 6 3HG LYS 6 1.458 11.987 11.420 41 HD2 LYS 6 2HD LYS 6 3.256 13.534 12.219 42 HD3 LYS 6 3HD LYS 6 4.195 13.174 10.760 43 HE2 LYS 6 2HE LYS 6 1.409 14.431 10.865 44 HE3 LYS 6 3HE LYS 6 2.919 15.293 10.558 45 HZ1 LYS 6 3HZ LYS 6 3.180 13.948 8.527 46 HZ2 LYS 6 1HZ LYS 6 1.744 13.199 8.790 47 HZ3 LYS 6 2HZ LYS 6 1.790 14.805 8.487 48 H THR 7 H THR 7 0.558 9.913 10.122 49 HA THR 7 HA THR 7 1.718 8.492 7.750 50 HB THR 7 HB THR 7 -1.125 9.468 8.119 51 HG1 THR 7 1HG THR 7 -0.645 7.826 9.617 52 HG21 THR 7 1HG2 THR 7 -0.257 7.238 6.277 53 HG22 THR 7 2HG2 THR 7 -1.732 8.220 6.244 54 HG23 THR 7 3HG2 THR 7 -0.213 8.892 5.716 55 H LEU 8 H LEU 8 1.925 9.700 5.771 56 HA LEU 8 HA LEU 8 2.053 12.591 6.017 57 HB2 LEU 8 2HB LEU 8 2.947 12.685 3.962 58 HB3 LEU 8 3HB LEU 8 3.383 11.048 4.413 59 HG LEU 8 HG LEU 8 1.068 11.869 2.583 60 HD11 LEU 8 1HD1 LEU 8 3.686 10.513 1.903 61 HD12 LEU 8 2HD1 LEU 8 2.384 10.940 0.778 62 HD13 LEU 8 3HD1 LEU 8 3.302 12.219 1.590 63 HD21 LEU 8 3HD2 LEU 8 2.128 9.132 3.358 64 HD22 LEU 8 1HD2 LEU 8 0.514 9.751 3.695 65 HD23 LEU 8 2HD2 LEU 8 0.988 9.435 2.025 66 H GLY 9 H GLY 9 -0.670 10.601 5.498 67 HA2 GLY 9 2HA GLY 9 -2.901 11.245 5.402 68 HA3 GLY 9 3HA GLY 9 -2.434 12.900 5.029 69 H ASP 10 H ASP 10 -1.358 10.045 3.117 70 HA ASP 10 HA ASP 10 -3.175 10.818 0.916 71 HB2 ASP 10 2HB ASP 10 -0.636 11.884 0.999 72 HB3 ASP 10 3HB ASP 10 -0.356 10.402 0.073 73 H PHE 11 H PHE 11 -1.155 8.283 2.374 74 HA PHE 11 HA PHE 11 -2.614 6.339 0.725 75 HB2 PHE 11 2HB PHE 11 -0.359 5.078 0.403 76 HB3 PHE 11 3HB PHE 11 -0.877 6.320 -0.686 77 HD1 PHE 11 HD1 PHE 11 1.204 6.216 2.503 78 HD2 PHE 11 HD2 PHE 11 0.738 7.676 -1.533 79 HE1 PHE 11 HE1 PHE 11 3.488 7.162 2.573 80 HE2 PHE 11 HE2 PHE 11 2.994 8.692 -1.419 81 HZ PHE 11 HZ PHE 11 4.378 8.410 0.630 82 H ALA 12 H ALA 12 -2.602 4.184 1.452 83 HA ALA 12 HA ALA 12 -2.450 3.939 4.421 84 HB1 ALA 12 1HB ALA 12 -4.813 3.301 2.613 85 HB2 ALA 12 2HB ALA 12 -4.762 3.115 4.373 86 HB3 ALA 12 3HB ALA 12 -4.688 4.736 3.644 87 H ALA 13 H ALA 13 -2.563 1.811 5.268 88 HA ALA 13 HA ALA 13 -2.084 -0.483 3.423 89 HB1 ALA 13 1HB ALA 13 0.055 0.558 4.214 90 HB2 ALA 13 2HB ALA 13 -0.435 0.251 5.889 91 HB3 ALA 13 3HB ALA 13 -0.158 -1.112 4.773 92 H GLU 14 H GLU 14 -3.147 -2.317 4.007 93 HA GLU 14 HA GLU 14 -3.749 -2.976 6.807 94 HB2 GLU 14 2HB GLU 14 -6.187 -3.218 6.408 95 HB3 GLU 14 3HB GLU 14 -5.644 -1.547 6.376 96 HG2 GLU 14 2HG GLU 14 -5.752 -1.497 3.923 97 HG3 GLU 14 3HG GLU 14 -6.123 -3.224 3.878 98 H TYR 15 H TYR 15 -4.869 -5.210 6.938 99 HA TYR 15 HA TYR 15 -4.041 -7.039 4.788 100 HB2 TYR 15 2HB TYR 15 -5.914 -7.448 7.135 101 HB3 TYR 15 3HB TYR 15 -5.339 -8.701 6.046 102 HD1 TYR 15 HD2 TYR 15 -2.320 -7.262 6.154 103 HD2 TYR 15 HD1 TYR 15 -5.177 -8.882 8.970 104 HE1 TYR 15 HE2 TYR 15 -0.474 -7.907 7.657 105 HE2 TYR 15 HE1 TYR 15 -3.318 -9.452 10.508 106 HH TYR 15 HH TYR 15 -1.081 -9.482 10.823 107 H ALA 16 H ALA 16 -5.222 -7.841 3.177 108 HA ALA 16 HA ALA 16 -7.627 -6.601 2.256 109 HB1 ALA 16 1HB ALA 16 -6.255 -9.188 1.519 110 HB2 ALA 16 2HB ALA 16 -7.519 -8.390 0.550 111 HB3 ALA 16 3HB ALA 16 -5.941 -7.601 0.793 112 H LYS 17 H LYS 17 -9.415 -6.725 3.539 113 HA LYS 17 HA LYS 17 -10.208 -8.997 5.087 114 HB2 LYS 17 2HB LYS 17 -10.808 -6.601 5.486 115 HB3 LYS 17 3HB LYS 17 -11.904 -6.662 4.097 116 HG2 LYS 17 2HG LYS 17 -13.266 -8.387 5.225 117 HG3 LYS 17 3HG LYS 17 -12.112 -8.437 6.574 118 HD2 LYS 17 2HD LYS 17 -12.622 -6.062 7.093 119 HD3 LYS 17 3HD LYS 17 -13.772 -6.014 5.737 120 HE2 LYS 17 2HE LYS 17 -15.099 -7.826 6.802 121 HE3 LYS 17 3HE LYS 17 -13.952 -7.882 8.146 122 HZ1 LYS 17 3HZ LYS 17 -15.891 -6.527 8.694 123 HZ2 LYS 17 1HZ LYS 17 -14.562 -5.581 8.676 124 HZ3 LYS 17 2HZ LYS 17 -15.623 -5.528 7.432 125 H SER 18 H SER 18 -10.895 -8.161 1.765 126 HA SER 18 HA SER 18 -12.231 -10.767 1.301 127 HB2 SER 18 2HB SER 18 -13.411 -8.091 0.441 128 HB3 SER 18 3HB SER 18 -14.004 -9.688 -0.051 129 HG SER 18 HG SER 18 -15.188 -8.819 1.718 130 H ASN 19 H ASN 19 -12.074 -11.500 -0.849 131 HA ASN 19 HA ASN 19 -9.894 -10.432 -2.474 132 HB2 ASN 19 2HB ASN 19 -10.252 -12.860 -2.101 133 HB3 ASN 19 3HB ASN 19 -11.839 -12.727 -2.885 134 HD21 ASN 19 2HD2 ASN 19 -8.612 -11.392 -3.950 135 HD22 ASN 19 1HD2 ASN 19 -8.626 -12.358 -5.414 136 H ARG 20 H ARG 20 -11.525 -8.394 -2.353 137 HA ARG 20 HA ARG 20 -12.957 -8.283 -4.978 138 HB2 ARG 20 2HB ARG 20 -13.947 -7.191 -2.308 139 HB3 ARG 20 3HB ARG 20 -14.720 -6.881 -3.861 140 HG2 ARG 20 2HG ARG 20 -14.402 -9.640 -2.594 141 HG3 ARG 20 3HG ARG 20 -15.859 -8.652 -2.559 142 HD2 ARG 20 2HD ARG 20 -16.062 -8.752 -4.992 143 HD3 ARG 20 3HD ARG 20 -14.561 -9.654 -5.136 144 HE ARG 20 HE ARG 20 -17.157 -10.649 -4.115 145 HH11 ARG 20 1HH2 ARG 20 -13.785 -11.493 -4.749 146 HH12 ARG 20 2HH2 ARG 20 -14.149 -13.198 -4.747 147 HH21 ARG 20 1HH1 ARG 20 -17.496 -12.830 -4.083 148 HH22 ARG 20 2HH1 ARG 20 -16.172 -13.928 -4.344 149 H SER 21 H SER 21 -10.762 -6.679 -2.845 150 HA SER 21 HA SER 21 -10.637 -4.205 -4.409 151 HB2 SER 21 2HB SER 21 -8.330 -4.065 -3.305 152 HB3 SER 21 3HB SER 21 -9.748 -3.976 -2.256 153 HG SER 21 HG SER 21 -8.307 -6.389 -2.753 154 H THR 22 H THR 22 -9.099 -3.737 -6.020 155 HA THR 22 HA THR 22 -7.643 -6.037 -7.260 156 HB THR 22 HB THR 22 -9.241 -3.942 -8.737 157 HG1 THR 22 1HG THR 22 -10.588 -5.499 -7.851 158 HG21 THR 22 1HG2 THR 22 -7.283 -4.700 -10.065 159 HG22 THR 22 2HG2 THR 22 -7.801 -6.387 -9.834 160 HG23 THR 22 3HG2 THR 22 -8.808 -5.262 -10.759 161 H CYS 23 HN CYS 23 -5.637 -5.587 -7.953 162 HA CYS 23 HA CYS 23 -4.410 -3.149 -7.017 163 HB2 CYS 23 2HB CYS 23 -3.294 -5.238 -6.764 164 HB3 CYS 23 3HB CYS 23 -3.542 -5.634 -8.466 165 H LYS 24 H LYS 24 -4.612 -1.313 -8.142 166 HA LYS 24 HA LYS 24 -4.898 -1.158 -11.064 167 HB2 LYS 24 2HB LYS 24 -4.616 0.802 -8.776 168 HB3 LYS 24 3HB LYS 24 -4.399 1.343 -10.444 169 HG2 LYS 24 2HG LYS 24 -6.671 1.720 -9.892 170 HG3 LYS 24 3HG LYS 24 -6.613 0.422 -11.068 171 HD2 LYS 24 2HD LYS 24 -7.168 -1.229 -9.386 172 HD3 LYS 24 3HD LYS 24 -6.847 -0.085 -8.077 173 HE2 LYS 24 2HE LYS 24 -9.220 -0.330 -8.272 174 HE3 LYS 24 3HE LYS 24 -8.781 1.297 -8.795 175 HZ1 LYS 24 3HZ LYS 24 -8.989 0.521 -11.115 176 HZ2 LYS 24 1HZ LYS 24 -9.413 -0.981 -10.603 177 HZ3 LYS 24 2HZ LYS 24 -10.383 0.289 -10.304 178 H GLY 25 H GLY 25 -2.264 -1.668 -9.038 179 HA2 GLY 25 2HA GLY 25 -0.152 -0.457 -10.628 180 HA3 GLY 25 3HA GLY 25 0.027 -1.694 -9.380 181 H CYS 26 HN CYS 26 -1.764 -3.619 -10.760 182 HA CYS 26 HA CYS 26 -0.383 -4.082 -13.333 183 HB2 CYS 26 2HB CYS 26 0.247 -6.336 -12.864 184 HB3 CYS 26 3HB CYS 26 0.948 -5.283 -11.637 185 H MET 27 H MET 27 -3.341 -4.015 -11.852 186 HA MET 27 HA MET 27 -5.407 -4.605 -12.357 187 HB2 MET 27 2HB MET 27 -4.395 -5.037 -15.173 188 HB3 MET 27 3HB MET 27 -6.093 -4.981 -14.716 189 HG2 MET 27 2HG MET 27 -4.326 -2.644 -13.983 190 HG3 MET 27 3HG MET 27 -4.813 -2.869 -15.649 191 HE1 MET 27 3HE MET 27 -7.850 -2.023 -12.235 192 HE2 MET 27 1HE MET 27 -7.387 -3.701 -12.568 193 HE3 MET 27 2HE MET 27 -6.167 -2.544 -11.986 194 H GLU 28 H GLU 28 -4.376 -6.352 -10.848 195 HA GLU 28 HA GLU 28 -5.851 -8.783 -11.665 196 HB2 GLU 28 2HB GLU 28 -3.081 -8.890 -10.396 197 HB3 GLU 28 3HB GLU 28 -4.221 -10.234 -10.482 198 HG2 GLU 28 2HG GLU 28 -4.242 -9.940 -13.014 199 HG3 GLU 28 3HG GLU 28 -2.884 -8.826 -12.820 200 H LYS 29 H LYS 29 -6.800 -9.920 -9.891 201 HA LYS 29 HA LYS 29 -7.699 -8.016 -7.913 202 HB2 LYS 29 2HB LYS 29 -9.267 -9.676 -7.165 203 HB3 LYS 29 3HB LYS 29 -9.300 -9.499 -8.917 204 HG2 LYS 29 2HG LYS 29 -7.970 -11.596 -9.152 205 HG3 LYS 29 3HG LYS 29 -7.964 -11.779 -7.387 206 HD2 LYS 29 2HD LYS 29 -10.465 -11.810 -7.409 207 HD3 LYS 29 3HD LYS 29 -10.447 -11.735 -9.171 208 HE2 LYS 29 2HE LYS 29 -9.184 -13.957 -7.492 209 HE3 LYS 29 3HE LYS 29 -10.796 -14.029 -8.199 210 HZ1 LYS 29 3HZ LYS 29 -8.276 -13.801 -9.758 211 HZ2 LYS 29 1HZ LYS 29 -9.202 -15.135 -9.628 212 HZ3 LYS 29 2HZ LYS 29 -9.778 -13.825 -10.408 213 H ILE 30 H ILE 30 -7.307 -7.784 -5.844 214 HA ILE 30 HA ILE 30 -4.825 -8.902 -4.816 215 HB ILE 30 HB ILE 30 -6.848 -6.888 -3.871 216 HG12 ILE 30 2HG1 ILE 30 -3.871 -6.564 -4.420 217 HG13 ILE 30 3HG1 ILE 30 -5.064 -6.480 -5.707 218 HG21 ILE 30 1HG2 ILE 30 -6.040 -8.030 -1.804 219 HG22 ILE 30 2HG2 ILE 30 -4.368 -7.643 -2.291 220 HG23 ILE 30 3HG2 ILE 30 -5.548 -6.354 -1.944 221 HD11 ILE 30 3HD1 ILE 30 -4.495 -4.257 -5.004 222 HD12 ILE 30 1HD1 ILE 30 -6.183 -4.588 -4.593 223 HD13 ILE 30 2HD1 ILE 30 -4.929 -4.604 -3.322 224 H GLU 31 H GLU 31 -4.489 -10.500 -3.367 225 HA GLU 31 HA GLU 31 -6.624 -12.389 -2.936 226 HB2 GLU 31 2HB GLU 31 -3.845 -12.456 -1.726 227 HB3 GLU 31 3HB GLU 31 -4.976 -13.794 -1.925 228 HG2 GLU 31 2HG GLU 31 -4.775 -13.365 -4.459 229 HG3 GLU 31 3HG GLU 31 -3.421 -12.295 -4.048 230 H LYS 32 H LYS 32 -7.646 -12.971 -1.096 231 HA LYS 32 HA LYS 32 -7.913 -11.103 1.108 232 HB2 LYS 32 2HB LYS 32 -9.769 -12.520 0.347 233 HB3 LYS 32 3HB LYS 32 -8.876 -13.980 0.797 234 HG2 LYS 32 2HG LYS 32 -8.945 -13.331 3.170 235 HG3 LYS 32 3HG LYS 32 -9.730 -11.795 2.749 236 HD2 LYS 32 2HD LYS 32 -11.691 -13.003 1.919 237 HD3 LYS 32 3HD LYS 32 -10.889 -14.562 2.231 238 HE2 LYS 32 2HE LYS 32 -10.775 -14.055 4.637 239 HE3 LYS 32 3HE LYS 32 -11.484 -12.462 4.362 240 HZ1 LYS 32 3HZ LYS 32 -13.517 -13.554 3.603 241 HZ2 LYS 32 1HZ LYS 32 -12.867 -15.039 3.829 242 HZ3 LYS 32 2HZ LYS 32 -13.152 -14.065 5.107 243 H GLY 33 H GLY 33 -7.238 -11.229 3.185 244 HA2 GLY 33 2HA GLY 33 -6.130 -11.923 5.086 245 HA3 GLY 33 3HA GLY 33 -5.852 -13.492 4.329 246 H GLN 34 H GLN 34 -4.590 -10.908 2.478 247 HA GLN 34 HA GLN 34 -1.955 -10.880 3.830 248 HB2 GLN 34 2HB GLN 34 -0.745 -11.111 1.742 249 HB3 GLN 34 3HB GLN 34 -1.723 -12.521 2.091 250 HG2 GLN 34 2HG GLN 34 -1.923 -12.198 -0.239 251 HG3 GLN 34 3HG GLN 34 -3.449 -11.657 0.431 252 HE21 GLN 34 1HE2 GLN 34 -4.102 -9.516 -0.133 253 HE22 GLN 34 2HE2 GLN 34 -2.926 -8.295 -0.650 254 H VAL 35 H VAL 35 -0.571 -8.999 2.833 255 HA VAL 35 HA VAL 35 -2.010 -6.654 3.597 256 HB VAL 35 HB VAL 35 0.725 -6.924 2.308 257 HG11 VAL 35 1HG1 VAL 35 -0.011 -4.594 2.071 258 HG12 VAL 35 2HG1 VAL 35 -0.514 -4.552 3.781 259 HG13 VAL 35 3HG1 VAL 35 1.200 -4.707 3.338 260 HG21 VAL 35 3HG2 VAL 35 0.576 -8.104 4.461 261 HG22 VAL 35 1HG2 VAL 35 1.555 -6.646 4.613 262 HG23 VAL 35 2HG2 VAL 35 -0.113 -6.653 5.217 263 H ARG 36 H ARG 36 -2.871 -4.959 2.545 264 HA ARG 36 HA ARG 36 -2.412 -4.607 -0.353 265 HB2 ARG 36 2HB ARG 36 -4.689 -4.059 -0.828 266 HB3 ARG 36 3HB ARG 36 -4.562 -5.697 -0.174 267 HG2 ARG 36 2HG ARG 36 -5.490 -5.012 1.956 268 HG3 ARG 36 3HG ARG 36 -5.488 -3.315 1.467 269 HD2 ARG 36 2HD ARG 36 -7.071 -3.839 -0.383 270 HD3 ARG 36 3HD ARG 36 -7.090 -5.530 0.128 271 HE ARG 36 HE ARG 36 -7.847 -3.592 2.229 272 HH11 ARG 36 1HH2 ARG 36 -9.237 -5.513 -0.390 273 HH12 ARG 36 2HH2 ARG 36 -10.798 -5.508 0.383 274 HH21 ARG 36 1HH1 ARG 36 -9.749 -3.600 3.053 275 HH22 ARG 36 2HH1 ARG 36 -11.125 -4.386 2.279 276 H LEU 37 H LEU 37 -2.072 -2.552 -0.987 277 HA LEU 37 HA LEU 37 -2.207 -0.408 1.079 278 HB2 LEU 37 2HB LEU 37 -0.365 -0.389 -1.328 279 HB3 LEU 37 3HB LEU 37 -0.404 0.690 0.084 280 HG LEU 37 HG LEU 37 1.520 -0.485 0.309 281 HD11 LEU 37 1HD1 LEU 37 1.340 -1.610 2.392 282 HD12 LEU 37 2HD1 LEU 37 0.127 -0.315 2.303 283 HD13 LEU 37 3HD1 LEU 37 -0.372 -2.007 2.117 284 HD21 LEU 37 3HD2 LEU 37 0.118 -3.173 -0.012 285 HD22 LEU 37 1HD2 LEU 37 1.093 -2.355 -1.255 286 HD23 LEU 37 2HD2 LEU 37 1.833 -2.856 0.284 287 H SER 38 H SER 38 -2.806 1.726 0.332 288 HA SER 38 HA SER 38 -3.744 1.944 -2.438 289 HB2 SER 38 2HB SER 38 -5.924 2.931 -1.806 290 HB3 SER 38 3HB SER 38 -5.779 1.247 -1.316 291 HG SER 38 HG SER 38 -6.592 2.340 0.424 292 H LYS 39 H LYS 39 -4.186 4.099 -3.155 293 HA LYS 39 HA LYS 39 -3.051 6.296 -1.451 294 HB2 LYS 39 2HB LYS 39 -1.475 5.887 -3.222 295 HB3 LYS 39 3HB LYS 39 -2.756 5.893 -4.443 296 HG2 LYS 39 2HG LYS 39 -3.157 8.266 -4.128 297 HG3 LYS 39 3HG LYS 39 -2.038 8.333 -2.746 298 HD2 LYS 39 2HD LYS 39 -0.146 7.851 -4.163 299 HD3 LYS 39 3HD LYS 39 -1.212 7.480 -5.534 300 HE2 LYS 39 2HE LYS 39 -0.524 9.548 -6.151 301 HE3 LYS 39 3HE LYS 39 -2.026 9.944 -5.314 302 HZ1 LYS 39 3HZ LYS 39 0.687 10.069 -4.104 303 HZ2 LYS 39 1HZ LYS 39 -0.136 11.368 -4.664 304 HZ3 LYS 39 2HZ LYS 39 -0.715 10.575 -3.371 305 H LYS 40 H LYS 40 -4.268 8.059 -1.186 306 HA LYS 40 HA LYS 40 -6.998 8.132 -2.310 307 HB2 LYS 40 2HB LYS 40 -6.954 8.481 -0.030 308 HB3 LYS 40 3HB LYS 40 -5.630 9.609 -0.082 309 HG2 LYS 40 2HG LYS 40 -8.359 10.168 -1.389 310 HG3 LYS 40 3HG LYS 40 -8.045 10.481 0.313 311 HD2 LYS 40 2HD LYS 40 -6.911 11.906 -2.079 312 HD3 LYS 40 3HD LYS 40 -7.790 12.569 -0.709 313 HE2 LYS 40 2HE LYS 40 -5.838 12.190 0.771 314 HE3 LYS 40 3HE LYS 40 -4.985 11.389 -0.556 315 HZ1 LYS 40 3HZ LYS 40 -5.609 14.259 -0.401 316 HZ2 LYS 40 1HZ LYS 40 -4.140 13.498 -0.518 317 HZ3 LYS 40 2HZ LYS 40 -5.129 13.512 -1.791 318 H MET 41 H MET 41 -7.194 8.931 -4.282 319 HA MET 41 HA MET 41 -6.241 11.604 -4.931 320 HB2 MET 41 2HB MET 41 -4.915 11.004 -6.906 321 HB3 MET 41 3HB MET 41 -4.164 10.447 -5.418 322 HG2 MET 41 2HG MET 41 -5.061 8.157 -5.837 323 HG3 MET 41 3HG MET 41 -5.759 8.730 -7.357 324 HE1 MET 41 3HE MET 41 -3.957 6.228 -7.080 325 HE2 MET 41 1HE MET 41 -4.649 6.826 -8.610 326 HE3 MET 41 2HE MET 41 -2.921 6.396 -8.521 327 H VAL 42 H VAL 42 -7.407 12.525 -6.714 328 HA VAL 42 HA VAL 42 -9.703 11.333 -7.730 329 HB VAL 42 HB VAL 42 -7.882 13.301 -9.167 330 HG11 VAL 42 1HG1 VAL 42 -10.789 12.548 -9.696 331 HG12 VAL 42 2HG1 VAL 42 -9.950 13.943 -10.413 332 HG13 VAL 42 3HG1 VAL 42 -9.400 12.314 -10.790 333 HG21 VAL 42 3HG2 VAL 42 -8.681 14.194 -7.011 334 HG22 VAL 42 1HG2 VAL 42 -9.488 15.006 -8.349 335 HG23 VAL 42 2HG2 VAL 42 -10.353 13.757 -7.432 336 H ASP 43 H ASP 43 -10.114 9.726 -9.182 337 HA ASP 43 HA ASP 43 -8.007 8.030 -10.080 338 HB2 ASP 43 2HB ASP 43 -10.351 7.324 -9.584 339 HB3 ASP 43 3HB ASP 43 -10.884 8.140 -11.044 340 HA PRO 44 HA PRO 44 -6.911 10.558 -13.599 341 HB2 PRO 44 2HB PRO 44 -4.945 8.996 -14.734 342 HB3 PRO 44 3HB PRO 44 -4.729 9.878 -13.191 343 HG2 PRO 44 2HG PRO 44 -5.549 6.969 -13.561 344 HG3 PRO 44 3HG PRO 44 -4.242 7.624 -12.516 345 HD2 PRO 44 2HD PRO 44 -6.682 7.049 -11.530 346 HD3 PRO 44 3HD PRO 44 -5.797 8.505 -10.978 347 H GLU 45 H GLU 45 -8.360 7.439 -13.895 348 HA GLU 45 HA GLU 45 -8.867 7.744 -16.831 349 HB2 GLU 45 2HB GLU 45 -9.107 5.344 -14.974 350 HB3 GLU 45 3HB GLU 45 -9.513 5.348 -16.690 351 HG2 GLU 45 2HG GLU 45 -7.219 5.752 -17.334 352 HG3 GLU 45 3HG GLU 45 -6.722 6.033 -15.666 353 H LYS 46 H LYS 46 -10.251 8.312 -13.817 354 HA LYS 46 HA LYS 46 -12.975 8.692 -14.938 355 HB2 LYS 46 2HB LYS 46 -12.400 7.163 -12.369 356 HB3 LYS 46 3HB LYS 46 -13.986 7.740 -12.877 357 HG2 LYS 46 2HG LYS 46 -13.873 6.318 -14.894 358 HG3 LYS 46 3HG LYS 46 -12.325 5.649 -14.338 359 HD2 LYS 46 2HD LYS 46 -14.886 5.595 -12.689 360 HD3 LYS 46 3HD LYS 46 -14.396 4.282 -13.782 361 HE2 LYS 46 2HE LYS 46 -12.250 4.053 -12.509 362 HE3 LYS 46 3HE LYS 46 -12.802 5.289 -11.377 363 HZ1 LYS 46 3HZ LYS 46 -13.272 3.074 -10.526 364 HZ2 LYS 46 1HZ LYS 46 -14.692 3.824 -10.823 365 HZ3 LYS 46 2HZ LYS 46 -14.143 2.679 -11.848 366 HA PRO 47 HA PRO 47 -11.204 12.083 -12.204 367 HB2 PRO 47 2HB PRO 47 -11.328 14.211 -13.963 368 HB3 PRO 47 3HB PRO 47 -9.940 13.096 -13.794 369 HG2 PRO 47 2HG PRO 47 -12.209 12.956 -15.809 370 HG3 PRO 47 3HG PRO 47 -10.442 12.823 -16.112 371 HD2 PRO 47 2HD PRO 47 -11.995 10.625 -15.910 372 HD3 PRO 47 3HD PRO 47 -10.349 10.661 -15.205 373 H GLN 48 H GLN 48 -14.203 11.405 -13.611 374 HA GLN 48 HA GLN 48 -15.676 13.754 -12.643 375 HB2 GLN 48 2HB GLN 48 -16.323 12.519 -14.694 376 HB3 GLN 48 3HB GLN 48 -16.551 11.050 -13.744 377 HG2 GLN 48 2HG GLN 48 -18.685 12.094 -14.317 378 HG3 GLN 48 3HG GLN 48 -18.465 12.038 -12.579 379 HE21 GLN 48 2HE2 GLN 48 -17.980 14.091 -11.444 380 HE22 GLN 48 1HE2 GLN 48 -18.433 15.615 -12.218 381 H LEU 49 H LEU 49 -14.579 10.649 -11.364 382 HA LEU 49 HA LEU 49 -16.637 10.199 -9.467 383 HB2 LEU 49 2HB LEU 49 -15.194 8.612 -10.719 384 HB3 LEU 49 3HB LEU 49 -13.769 9.253 -9.887 385 HG LEU 49 HG LEU 49 -14.451 8.352 -7.806 386 HD11 LEU 49 1HD1 LEU 49 -16.956 7.436 -9.282 387 HD12 LEU 49 2HD1 LEU 49 -16.463 6.835 -7.672 388 HD13 LEU 49 3HD1 LEU 49 -16.873 8.541 -7.886 389 HD21 LEU 49 3HD2 LEU 49 -13.211 6.973 -9.389 390 HD22 LEU 49 1HD2 LEU 49 -14.345 5.938 -8.484 391 HD23 LEU 49 2HD2 LEU 49 -14.721 6.432 -10.156 392 H GLY 50 H GLY 50 -13.804 12.232 -9.372 393 HA2 GLY 50 2HA GLY 50 -12.828 13.474 -7.660 394 HA3 GLY 50 3HA GLY 50 -14.034 12.867 -6.523 395 H MET 51 H MET 51 -12.156 12.672 -5.126 396 HA MET 51 HA MET 51 -9.947 11.030 -5.613 397 HB2 MET 51 2HB MET 51 -10.887 11.729 -2.832 398 HB3 MET 51 3HB MET 51 -9.248 11.545 -3.457 399 HG2 MET 51 2HG MET 51 -9.949 13.634 -4.970 400 HG3 MET 51 3HG MET 51 -11.182 13.847 -3.731 401 HE1 MET 51 3HE MET 51 -7.699 14.578 -4.920 402 HE2 MET 51 1HE MET 51 -6.658 14.457 -3.481 403 HE3 MET 51 2HE MET 51 -7.451 13.004 -4.148 404 H ILE 52 H ILE 52 -9.624 8.918 -5.453 405 HA ILE 52 HA ILE 52 -11.524 7.282 -3.845 406 HB ILE 52 HB ILE 52 -10.987 5.378 -5.318 407 HG12 ILE 52 2HG1 ILE 52 -9.857 7.337 -7.348 408 HG13 ILE 52 3HG1 ILE 52 -8.814 6.431 -6.257 409 HG21 ILE 52 1HG2 ILE 52 -12.517 5.958 -7.059 410 HG22 ILE 52 2HG2 ILE 52 -13.021 6.707 -5.533 411 HG23 ILE 52 3HG2 ILE 52 -12.245 7.698 -6.812 412 HD11 ILE 52 3HD1 ILE 52 -9.729 4.296 -7.053 413 HD12 ILE 52 1HD1 ILE 52 -10.756 5.166 -8.221 414 HD13 ILE 52 2HD1 ILE 52 -8.996 5.256 -8.348 415 H ASP 53 H ASP 53 -10.674 5.372 -2.998 416 HA ASP 53 HA ASP 53 -7.818 5.546 -2.123 417 HB2 ASP 53 2HB ASP 53 -10.106 3.782 -1.161 418 HB3 ASP 53 3HB ASP 53 -8.437 3.655 -0.610 419 H ARG 54 H ARG 54 -6.959 5.063 -4.212 420 HA ARG 54 HA ARG 54 -7.868 2.758 -5.761 421 HB2 ARG 54 2HB ARG 54 -6.791 5.088 -6.457 422 HB3 ARG 54 3HB ARG 54 -5.267 4.214 -6.309 423 HG2 ARG 54 2HG ARG 54 -5.804 2.725 -8.069 424 HG3 ARG 54 3HG ARG 54 -7.539 3.120 -7.987 425 HD2 ARG 54 2HD ARG 54 -6.729 5.576 -8.548 426 HD3 ARG 54 3HD ARG 54 -5.296 4.757 -9.184 427 HE ARG 54 HE ARG 54 -8.132 4.610 -10.163 428 HH11 ARG 54 1HH2 ARG 54 -4.791 3.774 -10.964 429 HH12 ARG 54 2HH2 ARG 54 -5.237 3.566 -12.644 430 HH21 ARG 54 1HH1 ARG 54 -8.463 4.564 -12.235 431 HH22 ARG 54 2HH1 ARG 54 -7.247 3.913 -13.341 432 H TRP 55 H TRP 55 -7.235 0.673 -5.456 433 HA TRP 55 HA TRP 55 -5.189 0.129 -3.444 434 HB2 TRP 55 2HB TRP 55 -7.141 -1.709 -4.843 435 HB3 TRP 55 3HB TRP 55 -6.023 -2.197 -3.579 436 HD1 TRP 55 HD1 TRP 55 -9.359 -0.553 -4.088 437 HE1 TRP 55 HE1 TRP 55 -10.442 0.034 -1.847 438 HE3 TRP 55 HE3 TRP 55 -5.398 -1.532 -0.974 439 HZ2 TRP 55 HZ2 TRP 55 -9.656 0.221 0.919 440 HZ3 TRP 55 HZ3 TRP 55 -5.560 -1.001 1.444 441 HH2 TRP 55 HH2 TRP 55 -7.680 -0.133 2.400 442 H TYR 56 H TYR 56 -3.535 -1.316 -3.560 443 HA TYR 56 HA TYR 56 -2.375 -2.254 -6.109 444 HB2 TYR 56 2HB TYR 56 -1.003 -0.455 -4.060 445 HB3 TYR 56 3HB TYR 56 -0.227 -1.190 -5.455 446 HD1 TYR 56 HD1 TYR 56 -0.798 -0.451 -7.742 447 HD2 TYR 56 HD2 TYR 56 -2.373 1.572 -4.303 448 HE1 TYR 56 HE1 TYR 56 -1.462 1.470 -9.194 449 HE2 TYR 56 HE2 TYR 56 -3.065 3.482 -5.744 450 HH TYR 56 HH TYR 56 -2.466 3.513 -9.275 451 H HIS 57 H HIS 57 -0.834 -3.900 -5.836 452 HA HIS 57 HA HIS 57 -0.909 -5.591 -3.449 453 HB2 HIS 57 2HB HIS 57 0.843 -5.662 -5.907 454 HB3 HIS 57 3HB HIS 57 1.010 -6.814 -4.621 455 HD2 HIS 57 HD2 HIS 57 -1.445 -8.198 -3.984 456 HE1 HIS 57 HE1 HIS 57 -2.642 -8.271 -8.066 457 HE2 HIS 57 HE2 HIS 57 -2.987 -9.337 -5.800 458 HA PRO 58 HA PRO 58 2.729 -3.989 -1.246 459 HB2 PRO 58 2HB PRO 58 3.952 -6.292 -0.354 460 HB3 PRO 58 3HB PRO 58 2.487 -5.563 0.372 461 HG2 PRO 58 2HG PRO 58 2.633 -7.798 -1.676 462 HG3 PRO 58 3HG PRO 58 1.682 -7.746 -0.153 463 HD2 PRO 58 2HD PRO 58 0.506 -7.160 -2.485 464 HD3 PRO 58 3HD PRO 58 0.170 -6.145 -1.057 465 H GLY 59 H GLY 59 3.244 -6.247 -3.904 466 HA2 GLY 59 2HA GLY 59 6.075 -5.445 -4.255 467 HA3 GLY 59 3HA GLY 59 5.107 -6.446 -5.338 468 H CYS 60 HN CYS 60 2.942 -4.878 -5.950 469 HA CYS 60 HA CYS 60 4.044 -3.311 -7.972 470 HB2 CYS 60 2HB CYS 60 1.168 -3.370 -6.996 471 HB3 CYS 60 3HB CYS 60 1.726 -2.885 -8.604 472 H PHE 61 H PHE 61 2.501 -2.215 -4.906 473 HA PHE 61 HA PHE 61 2.379 0.524 -5.676 474 HB2 PHE 61 2HB PHE 61 1.613 0.924 -3.623 475 HB3 PHE 61 3HB PHE 61 1.457 -0.821 -3.553 476 HD1 PHE 61 HD1 PHE 61 3.292 -2.162 -2.457 477 HD2 PHE 61 HD2 PHE 61 3.186 2.115 -2.270 478 HE1 PHE 61 HE1 PHE 61 4.705 -2.233 -0.390 479 HE2 PHE 61 HE2 PHE 61 4.579 2.069 -0.187 480 HZ PHE 61 HZ PHE 61 5.327 -0.110 0.752 481 H VAL 62 H VAL 62 5.088 -1.360 -4.349 482 HA VAL 62 HA VAL 62 6.958 0.854 -4.264 483 HB VAL 62 HB VAL 62 7.613 -2.094 -4.588 484 HG11 VAL 62 1HG1 VAL 62 9.263 0.269 -3.586 485 HG12 VAL 62 2HG1 VAL 62 9.763 -1.435 -3.532 486 HG13 VAL 62 3HG1 VAL 62 9.533 -0.641 -5.089 487 HG21 VAL 62 3HG2 VAL 62 7.189 -0.396 -2.090 488 HG22 VAL 62 1HG2 VAL 62 6.300 -1.854 -2.579 489 HG23 VAL 62 2HG2 VAL 62 7.981 -1.987 -2.092 490 H LYS 63 H LYS 63 6.130 -1.513 -6.832 491 HA LYS 63 HA LYS 63 8.063 -0.678 -8.738 492 HB2 LYS 63 2HB LYS 63 6.737 -2.750 -8.907 493 HB3 LYS 63 3HB LYS 63 5.263 -1.809 -9.126 494 HG2 LYS 63 2HG LYS 63 6.115 -0.924 -11.278 495 HG3 LYS 63 3HG LYS 63 7.593 -1.869 -11.064 496 HD2 LYS 63 2HD LYS 63 6.051 -3.001 -12.587 497 HD3 LYS 63 3HD LYS 63 6.305 -3.955 -11.133 498 HE2 LYS 63 2HE LYS 63 3.980 -4.053 -11.827 499 HE3 LYS 63 3HE LYS 63 4.104 -3.288 -10.247 500 HZ1 LYS 63 3HZ LYS 63 3.645 -1.167 -11.224 501 HZ2 LYS 63 1HZ LYS 63 3.890 -1.717 -12.761 502 HZ3 LYS 63 2HZ LYS 63 2.583 -2.182 -11.906 503 H ASN 64 H ASN 64 4.888 0.747 -8.015 504 HA ASN 64 HA ASN 64 5.467 2.991 -9.894 505 HB2 ASN 64 2HB ASN 64 2.821 3.306 -9.387 506 HB3 ASN 64 3HB ASN 64 3.542 2.566 -10.793 507 HD21 ASN 64 1HD2 ASN 64 1.874 1.889 -7.726 508 HD22 ASN 64 2HD2 ASN 64 1.410 0.271 -8.250 509 H ARG 65 H ARG 65 6.476 2.596 -6.985 510 HA ARG 65 HA ARG 65 5.337 4.459 -5.336 511 HB2 ARG 65 2HB ARG 65 7.390 4.560 -4.153 512 HB3 ARG 65 3HB ARG 65 7.285 2.955 -4.806 513 HG2 ARG 65 2HG ARG 65 8.922 3.447 -6.529 514 HG3 ARG 65 3HG ARG 65 8.896 5.173 -6.173 515 HD2 ARG 65 2HD ARG 65 9.720 3.232 -4.033 516 HD3 ARG 65 3HD ARG 65 10.844 3.774 -5.299 517 HE ARG 65 HE ARG 65 9.464 6.010 -4.069 518 HH11 ARG 65 1HH2 ARG 65 12.246 3.938 -3.591 519 HH12 ARG 65 2HH2 ARG 65 13.123 5.173 -2.733 520 HH21 ARG 65 1HH1 ARG 65 10.634 7.542 -3.038 521 HH22 ARG 65 2HH1 ARG 65 12.223 7.157 -2.416 522 H GLU 66 H GLU 66 7.375 5.197 -8.096 523 HA GLU 66 HA GLU 66 7.604 8.026 -7.503 524 HB2 GLU 66 2HB GLU 66 8.637 8.166 -9.749 525 HB3 GLU 66 3HB GLU 66 9.394 6.994 -8.673 526 HG2 GLU 66 2HG GLU 66 8.292 5.134 -9.828 527 HG3 GLU 66 3HG GLU 66 7.402 6.259 -10.860 528 H GLU 67 H GLU 67 5.264 6.079 -9.223 529 HA GLU 67 HA GLU 67 3.873 8.365 -10.420 530 HB2 GLU 67 2HB GLU 67 3.883 6.122 -11.472 531 HB3 GLU 67 3HB GLU 67 2.968 5.491 -10.098 532 HG2 GLU 67 2HG GLU 67 1.088 6.966 -10.607 533 HG3 GLU 67 3HG GLU 67 2.023 7.782 -11.865 534 H LEU 68 H LEU 68 3.576 6.223 -7.566 535 HA LEU 68 HA LEU 68 1.289 7.614 -6.443 536 HB2 LEU 68 2HB LEU 68 3.298 5.717 -5.193 537 HB3 LEU 68 3HB LEU 68 1.786 6.224 -4.445 538 HG LEU 68 HG LEU 68 2.065 4.557 -6.988 539 HD11 LEU 68 1HD1 LEU 68 1.089 3.827 -4.202 540 HD12 LEU 68 2HD1 LEU 68 1.116 2.756 -5.615 541 HD13 LEU 68 3HD1 LEU 68 2.641 3.349 -4.926 542 HD21 LEU 68 3HD2 LEU 68 -0.468 5.275 -5.485 543 HD22 LEU 68 1HD2 LEU 68 0.007 5.939 -7.076 544 HD23 LEU 68 2HD2 LEU 68 -0.316 4.221 -6.900 545 H GLY 69 H GLY 69 4.736 8.289 -6.273 546 HA2 GLY 69 2HA GLY 69 5.445 10.522 -5.933 547 HA3 GLY 69 3HA GLY 69 4.028 10.861 -4.946 548 H PHE 70 H PHE 70 5.953 7.988 -4.277 549 HA PHE 70 HA PHE 70 6.384 8.740 -1.528 550 HB2 PHE 70 2HB PHE 70 7.290 6.490 -3.310 551 HB3 PHE 70 3HB PHE 70 7.921 6.640 -1.686 552 HD1 PHE 70 HD1 PHE 70 4.844 5.908 -3.629 553 HD2 PHE 70 HD2 PHE 70 6.604 6.250 0.258 554 HE1 PHE 70 HE1 PHE 70 2.948 4.623 -2.660 555 HE2 PHE 70 HE2 PHE 70 4.764 4.923 1.244 556 HZ PHE 70 HZ PHE 70 2.913 4.110 -0.234 557 H ARG 71 H ARG 71 7.821 10.087 -0.777 558 HA ARG 71 HA ARG 71 10.652 10.135 -1.759 559 HB2 ARG 71 2HB ARG 71 9.013 12.163 -0.180 560 HB3 ARG 71 3HB ARG 71 10.756 12.239 -0.288 561 HG2 ARG 71 2HG ARG 71 10.696 12.519 -2.699 562 HG3 ARG 71 3HG ARG 71 8.948 12.248 -2.740 563 HD2 ARG 71 2HD ARG 71 9.523 14.657 -2.920 564 HD3 ARG 71 3HD ARG 71 8.507 14.282 -1.537 565 HE ARG 71 HE ARG 71 10.218 14.844 -0.045 566 HH11 ARG 71 1HH2 ARG 71 11.645 14.958 -3.263 567 HH12 ARG 71 2HH2 ARG 71 13.088 15.717 -2.645 568 HH21 ARG 71 1HH1 ARG 71 11.928 15.710 0.623 569 HH22 ARG 71 2HH1 ARG 71 13.268 16.165 -0.440 570 HA PRO 72 HA PRO 72 11.903 7.851 1.758 571 HB2 PRO 72 2HB PRO 72 14.207 9.097 2.664 572 HB3 PRO 72 3HB PRO 72 14.096 8.073 1.202 573 HG2 PRO 72 2HG PRO 72 13.922 11.098 1.374 574 HG3 PRO 72 3HG PRO 72 14.919 10.106 0.259 575 HD2 PRO 72 2HD PRO 72 12.570 11.116 -0.564 576 HD3 PRO 72 3HD PRO 72 13.002 9.438 -0.993 577 H GLU 73 H GLU 73 11.451 11.330 2.380 578 HA GLU 73 HA GLU 73 11.323 11.098 5.244 579 HB2 GLU 73 2HB GLU 73 10.357 13.315 5.185 580 HB3 GLU 73 3HB GLU 73 11.687 13.210 4.031 581 HG2 GLU 73 2HG GLU 73 9.912 12.792 2.214 582 HG3 GLU 73 3HG GLU 73 8.706 13.216 3.428 583 H TYR 74 H TYR 74 9.089 10.033 2.836 584 HA TYR 74 HA TYR 74 7.323 9.033 4.928 585 HB2 TYR 74 2HB TYR 74 5.265 9.785 3.599 586 HB3 TYR 74 3HB TYR 74 6.066 10.886 4.674 587 HD1 TYR 74 HD2 TYR 74 6.634 10.017 1.028 588 HD2 TYR 74 HD1 TYR 74 5.847 13.049 3.991 589 HE1 TYR 74 HE2 TYR 74 6.589 11.772 -0.759 590 HE2 TYR 74 HE1 TYR 74 5.830 14.786 2.217 591 HH TYR 74 HH TYR 74 5.994 15.220 -0.021 592 H SER 75 H SER 75 9.021 7.434 3.842 593 HA SER 75 HA SER 75 7.904 5.788 1.728 594 HB2 SER 75 2HB SER 75 9.966 5.285 3.860 595 HB3 SER 75 3HB SER 75 9.517 4.125 2.595 596 HG SER 75 HG SER 75 11.287 5.365 1.916 597 H ALA 76 H ALA 76 7.850 3.219 2.890 598 HA ALA 76 HA ALA 76 5.165 2.964 3.393 599 HB1 ALA 76 1HB ALA 76 7.419 1.105 4.271 600 HB2 ALA 76 2HB ALA 76 5.716 0.653 4.043 601 HB3 ALA 76 3HB ALA 76 6.687 1.168 2.650 602 H SER 77 H SER 77 7.450 3.885 5.884 603 HA SER 77 HA SER 77 5.954 3.019 8.180 604 HB2 SER 77 2HB SER 77 7.411 4.730 9.333 605 HB3 SER 77 3HB SER 77 8.298 3.517 8.390 606 HG SER 77 HG SER 77 9.030 5.692 8.021 607 H GLN 78 H GLN 78 5.535 5.715 5.949 608 HA GLN 78 HA GLN 78 3.588 6.970 7.753 609 HB2 GLN 78 2HB GLN 78 5.058 8.096 5.362 610 HB3 GLN 78 3HB GLN 78 3.765 8.922 6.216 611 HG2 GLN 78 2HG GLN 78 5.439 8.252 8.325 612 HG3 GLN 78 3HG GLN 78 6.591 8.543 7.038 613 HE21 GLN 78 2HE2 GLN 78 7.270 10.760 6.950 614 HE22 GLN 78 1HE2 GLN 78 6.258 12.060 7.550 615 H LEU 79 H LEU 79 3.079 4.499 6.192 616 HA LEU 79 HA LEU 79 0.670 5.316 4.654 617 HB2 LEU 79 2HB LEU 79 1.889 2.639 5.436 618 HB3 LEU 79 3HB LEU 79 0.319 2.776 4.667 619 HG LEU 79 HG LEU 79 2.728 3.966 3.274 620 HD11 LEU 79 1HD1 LEU 79 1.910 1.036 3.032 621 HD12 LEU 79 2HD1 LEU 79 3.190 1.871 2.139 622 HD13 LEU 79 3HD1 LEU 79 3.347 1.590 3.883 623 HD21 LEU 79 3HD2 LEU 79 0.283 2.503 2.206 624 HD22 LEU 79 1HD2 LEU 79 0.355 4.246 2.469 625 HD23 LEU 79 2HD2 LEU 79 1.439 3.486 1.296 626 H LYS 80 H LYS 80 -1.385 5.306 5.533 627 HA LYS 80 HA LYS 80 -1.912 5.322 8.309 628 HB2 LYS 80 2HB LYS 80 -3.906 4.278 6.263 629 HB3 LYS 80 3HB LYS 80 -4.258 4.989 7.830 630 HG2 LYS 80 2HG LYS 80 -3.492 7.185 7.028 631 HG3 LYS 80 3HG LYS 80 -3.079 6.459 5.458 632 HD2 LYS 80 2HD LYS 80 -5.656 5.660 5.580 633 HD3 LYS 80 3HD LYS 80 -5.781 7.055 6.663 634 HE2 LYS 80 2HE LYS 80 -4.767 8.488 4.882 635 HE3 LYS 80 3HE LYS 80 -4.628 7.064 3.836 636 HZ1 LYS 80 3HZ LYS 80 -7.062 6.884 3.858 637 HZ2 LYS 80 1HZ LYS 80 -7.199 8.176 4.850 638 HZ3 LYS 80 2HZ LYS 80 -6.638 8.367 3.330 639 H GLY 81 H GLY 81 -2.310 3.757 9.823 640 HA2 GLY 81 2HA GLY 81 -2.702 1.698 10.798 641 HA3 GLY 81 3HA GLY 81 -3.379 1.179 9.255 642 H PHE 82 H PHE 82 -0.130 2.036 8.699 643 HA PHE 82 HA PHE 82 0.781 -0.536 8.081 644 HB2 PHE 82 2HB PHE 82 1.963 1.246 7.166 645 HB3 PHE 82 3HB PHE 82 2.065 2.123 8.682 646 HD1 PHE 82 HD2 PHE 82 3.772 1.697 10.332 647 HD2 PHE 82 HD1 PHE 82 3.691 -0.476 6.606 648 HE1 PHE 82 HE2 PHE 82 6.093 0.916 10.738 649 HE2 PHE 82 HE1 PHE 82 6.023 -1.223 7.004 650 HZ PHE 82 HZ PHE 82 7.213 -0.559 9.073 651 H SER 83 H SER 83 1.143 1.265 11.166 652 HA SER 83 HA SER 83 2.804 -0.663 12.410 653 HB2 SER 83 2HB SER 83 2.473 1.746 13.098 654 HB3 SER 83 3HB SER 83 0.977 1.224 13.908 655 HG SER 83 HG SER 83 2.838 1.186 15.297 656 H LEU 84 H LEU 84 -0.601 -0.793 11.851 657 HA LEU 84 HA LEU 84 -1.211 -2.690 14.014 658 HB2 LEU 84 2HB LEU 84 -2.911 -1.786 11.661 659 HB3 LEU 84 3HB LEU 84 -3.465 -2.651 13.086 660 HG LEU 84 HG LEU 84 -2.391 0.207 13.051 661 HD11 LEU 84 1HD1 LEU 84 -4.705 0.829 13.554 662 HD12 LEU 84 2HD1 LEU 84 -4.614 -0.052 12.018 663 HD13 LEU 84 3HD1 LEU 84 -5.203 -0.877 13.480 664 HD21 LEU 84 3HD2 LEU 84 -3.206 0.308 15.394 665 HD22 LEU 84 1HD2 LEU 84 -3.559 -1.434 15.344 666 HD23 LEU 84 2HD2 LEU 84 -1.884 -0.849 15.214 667 H LEU 85 H LEU 85 0.263 -3.001 10.968 668 HA LEU 85 HA LEU 85 -0.736 -5.684 10.297 669 HB2 LEU 85 2HB LEU 85 1.752 -4.182 9.421 670 HB3 LEU 85 3HB LEU 85 1.168 -5.673 8.703 671 HG LEU 85 HG LEU 85 -0.378 -3.038 8.645 672 HD11 LEU 85 1HD1 LEU 85 0.359 -2.899 6.302 673 HD12 LEU 85 2HD1 LEU 85 1.750 -2.881 7.398 674 HD13 LEU 85 3HD1 LEU 85 1.342 -4.365 6.510 675 HD21 LEU 85 3HD2 LEU 85 -1.653 -4.090 6.852 676 HD22 LEU 85 1HD2 LEU 85 -0.757 -5.597 7.092 677 HD23 LEU 85 2HD2 LEU 85 -1.834 -4.989 8.370 678 H ALA 86 H ALA 86 0.801 -7.594 10.284 679 HA ALA 86 HA ALA 86 2.085 -8.053 12.810 680 HB1 ALA 86 1HB ALA 86 2.220 -9.512 10.140 681 HB2 ALA 86 2HB ALA 86 2.936 -10.118 11.653 682 HB3 ALA 86 3HB ALA 86 1.186 -9.898 11.534 683 H THR 87 H THR 87 4.269 -8.170 13.373 684 HA THR 87 HA THR 87 6.005 -6.191 12.535 685 HB THR 87 HB THR 87 6.883 -8.862 13.671 686 HG1 THR 87 1HG THR 87 6.394 -7.945 15.676 687 HG21 THR 87 1HG2 THR 87 8.538 -7.462 14.906 688 HG22 THR 87 2HG2 THR 87 8.757 -7.329 13.157 689 HG23 THR 87 3HG2 THR 87 7.950 -6.019 14.048 690 H GLU 88 H GLU 88 5.931 -9.569 11.307 691 HA GLU 88 HA GLU 88 8.288 -9.312 9.690 692 HB2 GLU 88 2HB GLU 88 7.597 -11.372 8.645 693 HB3 GLU 88 3HB GLU 88 7.398 -11.463 10.392 694 HG2 GLU 88 2HG GLU 88 4.933 -11.015 10.091 695 HG3 GLU 88 3HG GLU 88 5.176 -11.054 8.343 696 H ASP 89 H ASP 89 4.930 -8.365 9.046 697 HA ASP 89 HA ASP 89 5.473 -7.808 6.195 698 HB2 ASP 89 2HB ASP 89 3.073 -7.306 7.988 699 HB3 ASP 89 3HB ASP 89 3.181 -6.754 6.321 700 H LYS 90 H LYS 90 5.193 -5.977 9.248 701 HA LYS 90 HA LYS 90 5.576 -3.343 8.178 702 HB2 LYS 90 2HB LYS 90 6.286 -4.582 10.872 703 HB3 LYS 90 3HB LYS 90 6.487 -2.861 10.515 704 HG2 LYS 90 2HG LYS 90 4.153 -2.548 10.124 705 HG3 LYS 90 3HG LYS 90 3.839 -4.283 10.109 706 HD2 LYS 90 2HD LYS 90 3.004 -3.329 12.132 707 HD3 LYS 90 3HD LYS 90 4.308 -4.463 12.499 708 HE2 LYS 90 2HE LYS 90 5.859 -2.599 12.884 709 HE3 LYS 90 3HE LYS 90 4.635 -1.443 12.330 710 HZ1 LYS 90 3HZ LYS 90 3.228 -2.195 14.235 711 HZ2 LYS 90 1HZ LYS 90 4.465 -3.112 14.786 712 HZ3 LYS 90 2HZ LYS 90 4.609 -1.480 14.723 713 H GLU 91 H GLU 91 7.974 -5.779 9.218 714 HA GLU 91 HA GLU 91 10.286 -4.216 8.446 715 HB2 GLU 91 2HB GLU 91 9.844 -7.202 8.823 716 HB3 GLU 91 3HB GLU 91 11.406 -6.503 8.409 717 HG2 GLU 91 2HG GLU 91 9.810 -5.811 10.911 718 HG3 GLU 91 3HG GLU 91 11.142 -6.958 10.840 719 H ALA 92 H ALA 92 8.469 -6.804 6.659 720 HA ALA 92 HA ALA 92 10.126 -6.719 4.377 721 HB1 ALA 92 1HB ALA 92 7.196 -7.468 4.611 722 HB2 ALA 92 2HB ALA 92 8.285 -7.900 3.271 723 HB3 ALA 92 3HB ALA 92 8.594 -8.537 4.899 724 H LEU 93 H LEU 93 7.265 -4.667 5.075 725 HA LEU 93 HA LEU 93 7.161 -3.430 2.464 726 HB2 LEU 93 2HB LEU 93 6.219 -2.602 5.227 727 HB3 LEU 93 3HB LEU 93 5.947 -1.605 3.802 728 HG LEU 93 HG LEU 93 4.917 -4.463 4.048 729 HD11 LEU 93 1HD1 LEU 93 3.492 -1.802 4.493 730 HD12 LEU 93 2HD1 LEU 93 2.737 -3.410 4.508 731 HD13 LEU 93 3HD1 LEU 93 3.914 -2.986 5.755 732 HD21 LEU 93 3HD2 LEU 93 5.118 -3.695 1.715 733 HD22 LEU 93 1HD2 LEU 93 3.423 -3.786 2.204 734 HD23 LEU 93 2HD2 LEU 93 4.229 -2.206 2.120 735 H LYS 94 H LYS 94 8.839 -2.469 5.503 736 HA LYS 94 HA LYS 94 10.110 -0.121 4.369 737 HB2 LYS 94 2HB LYS 94 10.849 -1.902 6.717 738 HB3 LYS 94 3HB LYS 94 11.692 -0.403 6.313 739 HG2 LYS 94 2HG LYS 94 9.618 0.898 6.616 740 HG3 LYS 94 3HG LYS 94 8.733 -0.569 7.040 741 HD2 LYS 94 2HD LYS 94 11.095 0.610 8.576 742 HD3 LYS 94 3HD LYS 94 9.392 0.709 9.051 743 HE2 LYS 94 2HE LYS 94 9.291 -1.773 9.219 744 HE3 LYS 94 3HE LYS 94 10.982 -1.878 8.732 745 HZ1 LYS 94 3HZ LYS 94 10.875 -2.061 11.055 746 HZ2 LYS 94 1HZ LYS 94 11.552 -0.606 10.755 747 HZ3 LYS 94 2HZ LYS 94 9.989 -0.682 11.251 748 H LYS 95 H LYS 95 11.113 -3.534 4.610 749 HA LYS 95 HA LYS 95 13.749 -3.160 3.619 750 HB2 LYS 95 2HB LYS 95 11.906 -5.560 3.680 751 HB3 LYS 95 3HB LYS 95 13.514 -5.669 2.959 752 HG2 LYS 95 2HG LYS 95 14.611 -5.040 4.997 753 HG3 LYS 95 3HG LYS 95 13.089 -4.646 5.796 754 HD2 LYS 95 2HD LYS 95 12.370 -7.020 5.608 755 HD3 LYS 95 3HD LYS 95 13.920 -7.436 4.868 756 HE2 LYS 95 2HE LYS 95 13.579 -6.204 7.646 757 HE3 LYS 95 3HE LYS 95 13.716 -7.937 7.342 758 HZ1 LYS 95 3HZ LYS 95 15.925 -7.537 6.392 759 HZ2 LYS 95 1HZ LYS 95 15.814 -5.933 6.701 760 HZ3 LYS 95 2HZ LYS 95 15.858 -7.002 7.930 761 H GLN 96 H GLN 96 10.786 -3.186 1.846 762 HA GLN 96 HA GLN 96 12.176 -3.309 -0.792 763 HB2 GLN 96 2HB GLN 96 9.242 -3.328 -0.002 764 HB3 GLN 96 3HB GLN 96 9.832 -3.308 -1.670 765 HG2 GLN 96 2HG GLN 96 10.886 -5.459 -1.447 766 HG3 GLN 96 3HG GLN 96 10.610 -5.500 0.296 767 HE21 GLN 96 2HE2 GLN 96 8.379 -5.647 1.084 768 HE22 GLN 96 1HE2 GLN 96 7.163 -6.414 0.050 769 H LEU 97 H LEU 97 10.319 -1.082 1.297 770 HA LEU 97 HA LEU 97 11.360 1.219 -0.262 771 HB2 LEU 97 2HB LEU 97 9.186 0.675 -1.150 772 HB3 LEU 97 3HB LEU 97 8.452 0.684 0.448 773 HG LEU 97 HG LEU 97 8.591 3.059 0.624 774 HD11 LEU 97 1HD1 LEU 97 10.395 3.001 -1.824 775 HD12 LEU 97 2HD1 LEU 97 9.679 4.478 -1.121 776 HD13 LEU 97 3HD1 LEU 97 10.837 3.533 -0.187 777 HD21 LEU 97 3HD2 LEU 97 7.390 3.794 -1.386 778 HD22 LEU 97 1HD2 LEU 97 7.948 2.360 -2.272 779 HD23 LEU 97 2HD2 LEU 97 6.851 2.184 -0.889 780 HA PRO 98 HA PRO 98 11.800 1.992 4.233 781 HB2 PRO 98 2HB PRO 98 14.528 2.311 4.371 782 HB3 PRO 98 3HB PRO 98 13.688 0.740 4.434 783 HG2 PRO 98 2HG PRO 98 15.275 1.903 2.201 784 HG3 PRO 98 3HG PRO 98 14.844 0.195 2.535 785 HD2 PRO 98 2HD PRO 98 13.586 2.041 0.687 786 HD3 PRO 98 3HD PRO 98 13.197 0.327 1.002 787 H GLY 99 H GLY 99 12.155 3.980 5.389 788 HA2 GLY 99 2HA GLY 99 12.121 6.402 3.782 789 HA3 GLY 99 3HA GLY 99 11.865 6.259 5.513 790 H VAL 100 H VAL 100 13.032 8.110 5.752 791 HA VAL 100 HA VAL 100 15.426 9.097 5.163 792 HB VAL 100 HB VAL 100 14.346 8.819 8.008 793 HG11 VAL 100 1HG1 VAL 100 16.292 10.880 6.882 794 HG12 VAL 100 2HG1 VAL 100 15.482 10.988 8.460 795 HG13 VAL 100 3HG1 VAL 100 16.617 9.684 8.170 796 HG21 VAL 100 3HG2 VAL 100 13.859 10.941 5.874 797 HG22 VAL 100 1HG2 VAL 100 12.665 9.800 6.543 798 HG23 VAL 100 2HG2 VAL 100 13.336 11.061 7.569 799 H LYS 101 H LYS 101 17.474 9.045 5.550 800 HA LYS 101 HA LYS 101 18.733 6.510 6.032 801 HB2 LYS 101 2HB LYS 101 19.278 8.391 4.302 802 HB3 LYS 101 3HB LYS 101 20.190 9.131 5.623 803 HG2 LYS 101 2HG LYS 101 21.360 6.812 5.846 804 HG3 LYS 101 3HG LYS 101 20.502 6.379 4.366 805 HD2 LYS 101 2HD LYS 101 22.793 7.025 3.864 806 HD3 LYS 101 3HD LYS 101 21.666 8.185 3.142 807 HE2 LYS 101 2HE LYS 101 22.097 9.779 4.962 808 HE3 LYS 101 3HE LYS 101 23.110 8.598 5.806 809 HZ1 LYS 101 3HZ LYS 101 24.681 8.703 3.980 810 HZ2 LYS 101 1HZ LYS 101 23.704 9.666 3.093 811 HZ3 LYS 101 2HZ LYS 101 24.392 10.238 4.471 812 H SER 102 H SER 102 17.547 7.025 8.371 813 HA SER 102 HA SER 102 19.294 8.136 10.394 814 HB2 SER 102 2HB SER 102 16.888 6.293 10.621 815 HB3 SER 102 3HB SER 102 17.650 7.183 11.959 816 HG SER 102 HG SER 102 15.852 8.312 11.137 817 H GLU 103 H GLU 103 19.478 5.189 8.713 818 HA GLU 103 HA GLU 103 21.422 4.091 10.677 819 HB2 GLU 103 2HB GLU 103 19.274 2.542 9.172 820 HB3 GLU 103 3HB GLU 103 20.660 1.781 9.936 821 HG2 GLU 103 2HG GLU 103 18.505 3.395 11.365 822 HG3 GLU 103 3HG GLU 103 18.621 1.642 11.312 823 H GLY 104 H GLY 104 23.245 3.183 9.795 824 HA2 GLY 104 2HA GLY 104 24.162 4.275 7.354 825 HA3 GLY 104 3HA GLY 104 24.991 3.056 8.324 826 H LYS 105 H LYS 105 22.245 1.477 7.631 827 HA LYS 105 HA LYS 105 23.313 0.058 5.266 828 HB2 LYS 105 2HB LYS 105 20.788 -0.406 6.915 829 HB3 LYS 105 3HB LYS 105 21.418 -1.479 5.670 830 HG2 LYS 105 2HG LYS 105 22.750 -0.846 8.336 831 HG3 LYS 105 3HG LYS 105 21.915 -2.333 7.888 832 HD2 LYS 105 2HD LYS 105 23.615 -2.672 6.050 833 HD3 LYS 105 3HD LYS 105 24.529 -1.300 6.689 834 HE2 LYS 105 2HE LYS 105 23.813 -3.828 8.247 835 HE3 LYS 105 3HE LYS 105 25.354 -3.548 7.436 836 HZ1 LYS 105 3HZ LYS 105 25.712 -1.631 8.902 837 HZ2 LYS 105 1HZ LYS 105 24.298 -1.912 9.680 838 HZ3 LYS 105 2HZ LYS 105 25.513 -2.992 9.776 839 H ARG 106 H ARG 106 21.227 2.706 5.782 840 HA ARG 106 HA ARG 106 19.535 2.203 3.421 841 HB2 ARG 106 2HB ARG 106 19.562 4.448 5.466 842 HB3 ARG 106 3HB ARG 106 18.393 4.306 4.147 843 HG2 ARG 106 2HG ARG 106 17.655 2.103 5.034 844 HG3 ARG 106 3HG ARG 106 18.777 2.284 6.399 845 HD2 ARG 106 2HD ARG 106 17.616 4.353 7.088 846 HD3 ARG 106 3HD ARG 106 16.493 4.181 5.723 847 HE ARG 106 HE ARG 106 16.460 1.778 7.266 848 HH11 ARG 106 1HH2 ARG 106 15.370 5.099 7.599 849 HH12 ARG 106 2HH2 ARG 106 14.069 4.648 8.676 850 HH21 ARG 106 1HH1 ARG 106 14.808 1.292 8.665 851 HH22 ARG 106 2HH1 ARG 106 13.774 2.555 9.263 852 H LYS 107 H LYS 107 22.575 3.409 3.653 853 HA LYS 107 HA LYS 107 22.547 5.718 1.939 854 HB2 LYS 107 2HB LYS 107 24.942 5.418 1.801 855 HB3 LYS 107 3HB LYS 107 24.397 5.166 3.459 856 HG2 LYS 107 2HG LYS 107 24.481 2.666 3.042 857 HG3 LYS 107 3HG LYS 107 25.175 3.002 1.448 858 HD2 LYS 107 2HD LYS 107 27.100 4.125 2.485 859 HD3 LYS 107 3HD LYS 107 26.389 3.901 4.100 860 HE2 LYS 107 2HE LYS 107 26.450 1.444 3.796 861 HE3 LYS 107 3HE LYS 107 27.162 1.651 2.189 862 HZ1 LYS 107 3HZ LYS 107 29.086 2.710 3.258 863 HZ2 LYS 107 1HZ LYS 107 28.425 2.514 4.740 864 HZ3 LYS 107 2HZ LYS 107 28.867 1.212 3.862 865 H GLY 108 H GLY 108 23.180 6.032 -0.174 866 HA2 GLY 108 2HA GLY 108 23.356 3.774 -2.059 867 HA3 GLY 108 3HA GLY 108 21.829 4.643 -2.129 868 H ASP 109 H ASP 109 25.187 4.689 -2.853 869 HA ASP 109 HA ASP 109 26.486 5.832 -4.296 870 HB2 ASP 109 2HB ASP 109 24.732 4.818 -5.749 871 HB3 ASP 109 3HB ASP 109 23.896 6.369 -5.774 872 H GLU 110 H GLU 110 26.294 7.280 -2.176 873 HA GLU 110 HA GLU 110 25.698 10.099 -2.893 874 HB2 GLU 110 2HB GLU 110 26.081 8.629 -0.270 875 HB3 GLU 110 3HB GLU 110 25.937 10.388 -0.358 876 HG2 GLU 110 2HG GLU 110 23.718 10.315 -1.190 877 HG3 GLU 110 3HG GLU 110 23.825 8.609 -1.610 878 H VAL 111 H VAL 111 28.432 8.134 -2.789 879 HA VAL 111 HA VAL 111 30.345 10.271 -2.075 880 HB VAL 111 HB VAL 111 32.087 8.595 -2.490 881 HG11 VAL 111 1HG1 VAL 111 31.608 7.153 -0.598 882 HG12 VAL 111 2HG1 VAL 111 31.051 8.800 -0.258 883 HG13 VAL 111 3HG1 VAL 111 29.877 7.535 -0.685 884 HG21 VAL 111 3HG2 VAL 111 29.825 6.618 -3.043 885 HG22 VAL 111 1HG2 VAL 111 30.962 7.247 -4.258 886 HG23 VAL 111 2HG2 VAL 111 31.557 6.256 -2.920 887 H ASP 112 H ASP 112 28.552 9.775 -4.702 888 HA ASP 112 HA ASP 112 30.379 9.975 -6.923 889 HB2 ASP 112 2HB ASP 112 28.155 8.955 -7.057 890 HB3 ASP 112 3HB ASP 112 27.395 10.486 -6.659 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -12.229 -0.343 14.363 2 H2 GLY 1 H2 GLY 1 -10.672 -0.743 14.680 3 H3 GLY 1 H3 GLY 1 -11.306 -1.044 13.201 4 HA2 GLY 1 2HA GLY 1 -11.560 1.313 12.759 5 HA3 GLY 1 3HA GLY 1 -10.858 1.633 14.355 6 H SER 2 H SER 2 -9.362 2.927 12.974 7 HA SER 2 HA SER 2 -6.904 1.403 12.411 8 HB2 SER 2 2HB SER 2 -8.216 1.539 10.247 9 HB3 SER 2 3HB SER 2 -8.009 3.300 10.312 10 HG SER 2 HG SER 2 -6.377 2.157 9.083 11 H LYS 3 H LYS 3 -5.201 3.144 11.625 12 HA LYS 3 HA LYS 3 -5.279 5.567 13.389 13 HB2 LYS 3 2HB LYS 3 -3.144 3.392 13.243 14 HB3 LYS 3 3HB LYS 3 -2.788 5.000 13.851 15 HG2 LYS 3 2HG LYS 3 -4.880 3.138 15.066 16 HG3 LYS 3 3HG LYS 3 -3.218 3.345 15.633 17 HD2 LYS 3 2HD LYS 3 -3.717 5.837 15.878 18 HD3 LYS 3 3HD LYS 3 -5.430 5.443 15.626 19 HE2 LYS 3 2HE LYS 3 -5.410 3.963 17.588 20 HE3 LYS 3 3HE LYS 3 -3.667 4.207 17.780 21 HZ1 LYS 3 3HZ LYS 3 -4.117 6.593 18.118 22 HZ2 LYS 3 1HZ LYS 3 -5.730 6.319 18.069 23 HZ3 LYS 3 2HZ LYS 3 -4.834 5.675 19.277 24 H ALA 4 H ALA 4 -4.365 7.376 12.569 25 HA ALA 4 HA ALA 4 -2.438 7.135 10.367 26 HB1 ALA 4 1HB ALA 4 -4.918 8.914 10.159 27 HB2 ALA 4 2HB ALA 4 -3.622 8.779 8.948 28 HB3 ALA 4 3HB ALA 4 -4.674 7.392 9.272 29 H GLU 5 H GLU 5 -2.174 7.773 13.122 30 HA GLU 5 HA GLU 5 -1.624 10.567 13.542 31 HB2 GLU 5 2HB GLU 5 -0.875 7.944 14.851 32 HB3 GLU 5 3HB GLU 5 -0.251 9.490 15.470 33 HG2 GLU 5 2HG GLU 5 -2.620 10.312 15.685 34 HG3 GLU 5 3HG GLU 5 -3.188 8.710 15.211 35 H LYS 6 H LYS 6 0.252 8.045 12.017 36 HA LYS 6 HA LYS 6 2.700 9.782 11.940 37 HB2 LYS 6 2HB LYS 6 2.489 6.746 11.849 38 HB3 LYS 6 3HB LYS 6 3.980 7.686 11.709 39 HG2 LYS 6 2HG LYS 6 3.586 8.639 13.989 40 HG3 LYS 6 3HG LYS 6 2.134 7.644 14.138 41 HD2 LYS 6 2HD LYS 6 3.892 6.560 15.330 42 HD3 LYS 6 3HD LYS 6 3.525 5.586 13.899 43 HE2 LYS 6 2HE LYS 6 5.499 6.524 12.737 44 HE3 LYS 6 3HE LYS 6 5.821 7.593 14.109 45 HZ1 LYS 6 3HZ LYS 6 6.205 5.615 15.478 46 HZ2 LYS 6 1HZ LYS 6 5.905 4.622 14.214 47 HZ3 LYS 6 2HZ LYS 6 7.210 5.603 14.193 48 H THR 7 H THR 7 0.242 9.267 9.997 49 HA THR 7 HA THR 7 1.554 8.401 7.532 50 HB THR 7 HB THR 7 -1.271 9.407 7.941 51 HG1 THR 7 1HG THR 7 -0.180 6.825 8.324 52 HG21 THR 7 1HG2 THR 7 -0.362 8.866 5.516 53 HG22 THR 7 2HG2 THR 7 -0.517 7.205 6.022 54 HG23 THR 7 3HG2 THR 7 -1.927 8.283 6.026 55 H LEU 8 H LEU 8 1.786 9.645 5.616 56 HA LEU 8 HA LEU 8 1.948 12.543 5.932 57 HB2 LEU 8 2HB LEU 8 2.917 12.665 3.899 58 HB3 LEU 8 3HB LEU 8 3.382 11.048 4.386 59 HG LEU 8 HG LEU 8 1.141 11.789 2.430 60 HD11 LEU 8 1HD1 LEU 8 3.439 12.165 1.573 61 HD12 LEU 8 2HD1 LEU 8 3.817 10.462 1.911 62 HD13 LEU 8 3HD1 LEU 8 2.578 10.876 0.713 63 HD21 LEU 8 3HD2 LEU 8 2.211 9.075 3.272 64 HD22 LEU 8 1HD2 LEU 8 0.573 9.666 3.545 65 HD23 LEU 8 2HD2 LEU 8 1.119 9.354 1.898 66 H GLY 9 H GLY 9 -0.733 10.546 5.223 67 HA2 GLY 9 2HA GLY 9 -2.955 11.234 5.068 68 HA3 GLY 9 3HA GLY 9 -2.453 12.861 4.632 69 H ASP 10 H ASP 10 -1.189 10.090 2.754 70 HA ASP 10 HA ASP 10 -3.154 10.611 0.590 71 HB2 ASP 10 2HB ASP 10 -0.147 10.910 0.350 72 HB3 ASP 10 3HB ASP 10 -1.203 10.682 -1.038 73 H PHE 11 H PHE 11 -1.292 8.213 2.273 74 HA PHE 11 HA PHE 11 -2.559 6.214 0.573 75 HB2 PHE 11 2HB PHE 11 -0.300 4.938 0.410 76 HB3 PHE 11 3HB PHE 11 -0.770 6.129 -0.752 77 HD1 PHE 11 HD2 PHE 11 1.263 6.052 2.467 78 HD2 PHE 11 HD1 PHE 11 0.811 7.573 -1.546 79 HE1 PHE 11 HE2 PHE 11 3.540 7.008 2.568 80 HE2 PHE 11 HE1 PHE 11 3.059 8.607 -1.399 81 HZ PHE 11 HZ PHE 11 4.435 8.299 0.652 82 H ALA 12 H ALA 12 -2.572 4.074 1.381 83 HA ALA 12 HA ALA 12 -2.448 3.907 4.355 84 HB1 ALA 12 1HB ALA 12 -4.831 3.288 2.570 85 HB2 ALA 12 2HB ALA 12 -4.769 3.077 4.324 86 HB3 ALA 12 3HB ALA 12 -4.682 4.709 3.618 87 H ALA 13 H ALA 13 -2.598 1.785 5.238 88 HA ALA 13 HA ALA 13 -2.123 -0.517 3.399 89 HB1 ALA 13 1HB ALA 13 -0.549 0.134 5.927 90 HB2 ALA 13 2HB ALA 13 -0.272 -1.213 4.793 91 HB3 ALA 13 3HB ALA 13 0.004 0.459 4.273 92 H GLU 14 H GLU 14 -3.087 -2.421 3.982 93 HA GLU 14 HA GLU 14 -4.209 -2.888 6.679 94 HB2 GLU 14 2HB GLU 14 -5.789 -1.353 5.272 95 HB3 GLU 14 3HB GLU 14 -6.028 -2.760 4.238 96 HG2 GLU 14 2HG GLU 14 -6.865 -4.003 6.291 97 HG3 GLU 14 3HG GLU 14 -6.644 -2.524 7.218 98 H TYR 15 H TYR 15 -4.705 -5.227 6.983 99 HA TYR 15 HA TYR 15 -4.105 -7.104 4.861 100 HB2 TYR 15 2HB TYR 15 -5.280 -7.238 7.603 101 HB3 TYR 15 3HB TYR 15 -5.752 -8.497 6.471 102 HD1 TYR 15 HD1 TYR 15 -2.502 -6.655 7.055 103 HD2 TYR 15 HD2 TYR 15 -4.544 -10.452 6.796 104 HE1 TYR 15 HE1 TYR 15 -0.346 -7.807 7.187 105 HE2 TYR 15 HE2 TYR 15 -2.359 -11.626 6.982 106 HH TYR 15 HH TYR 15 0.756 -9.883 7.033 107 H ALA 16 H ALA 16 -5.244 -7.899 3.257 108 HA ALA 16 HA ALA 16 -7.666 -6.744 2.347 109 HB1 ALA 16 1HB ALA 16 -6.301 -9.345 1.655 110 HB2 ALA 16 2HB ALA 16 -7.553 -8.552 0.669 111 HB3 ALA 16 3HB ALA 16 -5.970 -7.773 0.908 112 H LYS 17 H LYS 17 -9.475 -6.850 3.582 113 HA LYS 17 HA LYS 17 -10.281 -9.099 5.161 114 HB2 LYS 17 2HB LYS 17 -10.857 -6.708 5.567 115 HB3 LYS 17 3HB LYS 17 -11.928 -6.735 4.158 116 HG2 LYS 17 2HG LYS 17 -13.342 -8.442 5.243 117 HG3 LYS 17 3HG LYS 17 -12.226 -8.514 6.623 118 HD2 LYS 17 2HD LYS 17 -12.685 -6.119 7.104 119 HD3 LYS 17 3HD LYS 17 -13.826 -6.054 5.757 120 HE2 LYS 17 2HE LYS 17 -14.072 -7.900 8.181 121 HE3 LYS 17 3HE LYS 17 -14.868 -6.331 8.038 122 HZ1 LYS 17 3HZ LYS 17 -15.348 -8.642 6.232 123 HZ2 LYS 17 1HZ LYS 17 -16.366 -8.108 7.388 124 HZ3 LYS 17 2HZ LYS 17 -16.060 -7.175 6.086 125 H SER 18 H SER 18 -10.967 -8.263 1.839 126 HA SER 18 HA SER 18 -12.348 -10.852 1.386 127 HB2 SER 18 2HB SER 18 -13.471 -8.157 0.507 128 HB3 SER 18 3HB SER 18 -14.104 -9.746 0.043 129 HG SER 18 HG SER 18 -15.258 -8.833 1.804 130 H ASN 19 H ASN 19 -12.228 -11.576 -0.790 131 HA ASN 19 HA ASN 19 -9.927 -10.626 -2.302 132 HB2 ASN 19 2HB ASN 19 -10.510 -13.035 -1.855 133 HB3 ASN 19 3HB ASN 19 -11.933 -12.839 -2.886 134 HD21 ASN 19 2HD2 ASN 19 -8.623 -11.523 -3.616 135 HD22 ASN 19 1HD2 ASN 19 -8.240 -12.811 -4.740 136 H ARG 20 H ARG 20 -11.724 -8.592 -2.230 137 HA ARG 20 HA ARG 20 -13.038 -8.454 -4.933 138 HB2 ARG 20 2HB ARG 20 -13.902 -7.198 -2.294 139 HB3 ARG 20 3HB ARG 20 -14.690 -6.923 -3.841 140 HG2 ARG 20 2HG ARG 20 -14.557 -9.624 -2.417 141 HG3 ARG 20 3HG ARG 20 -15.900 -8.492 -2.375 142 HD2 ARG 20 2HD ARG 20 -16.541 -10.086 -3.958 143 HD3 ARG 20 3HD ARG 20 -16.037 -8.673 -4.907 144 HE ARG 20 HE ARG 20 -13.789 -10.390 -4.601 145 HH11 ARG 20 1HH2 ARG 20 -16.832 -10.531 -6.334 146 HH12 ARG 20 2HH2 ARG 20 -16.146 -11.523 -7.594 147 HH21 ARG 20 1HH1 ARG 20 -12.990 -11.555 -6.168 148 HH22 ARG 20 2HH1 ARG 20 -13.988 -12.117 -7.494 149 H SER 21 H SER 21 -10.857 -6.829 -2.761 150 HA SER 21 HA SER 21 -10.632 -4.396 -4.352 151 HB2 SER 21 2HB SER 21 -8.339 -4.281 -3.207 152 HB3 SER 21 3HB SER 21 -9.782 -4.151 -2.200 153 HG SER 21 HG SER 21 -8.408 -6.614 -2.612 154 H THR 22 H THR 22 -9.070 -3.919 -5.926 155 HA THR 22 HA THR 22 -7.623 -6.218 -7.180 156 HB THR 22 HB THR 22 -9.200 -4.104 -8.649 157 HG1 THR 22 1HG THR 22 -10.569 -5.643 -7.749 158 HG21 THR 22 1HG2 THR 22 -7.252 -4.908 -9.973 159 HG22 THR 22 2HG2 THR 22 -7.821 -6.581 -9.752 160 HG23 THR 22 3HG2 THR 22 -8.791 -5.419 -10.673 161 H CYS 23 HN CYS 23 -5.597 -5.786 -7.783 162 HA CYS 23 HA CYS 23 -4.371 -3.345 -6.912 163 HB2 CYS 23 2HB CYS 23 -3.247 -5.436 -6.676 164 HB3 CYS 23 3HB CYS 23 -3.503 -5.823 -8.380 165 H LYS 24 H LYS 24 -4.523 -1.566 -7.986 166 HA LYS 24 HA LYS 24 -4.953 -1.295 -10.872 167 HB2 LYS 24 2HB LYS 24 -4.351 0.715 -8.667 168 HB3 LYS 24 3HB LYS 24 -4.912 1.119 -10.298 169 HG2 LYS 24 2HG LYS 24 -6.466 -0.392 -8.140 170 HG3 LYS 24 3HG LYS 24 -6.757 1.241 -8.698 171 HD2 LYS 24 2HD LYS 24 -7.347 0.362 -10.961 172 HD3 LYS 24 3HD LYS 24 -7.161 -1.294 -10.326 173 HE2 LYS 24 2HE LYS 24 -8.891 -0.877 -8.634 174 HE3 LYS 24 3HE LYS 24 -9.061 0.795 -9.182 175 HZ1 LYS 24 3HZ LYS 24 -10.780 -0.620 -10.145 176 HZ2 LYS 24 1HZ LYS 24 -9.828 -0.049 -11.336 177 HZ3 LYS 24 2HZ LYS 24 -9.676 -1.599 -10.838 178 H GLY 25 H GLY 25 -2.222 -1.883 -8.968 179 HA2 GLY 25 2HA GLY 25 -0.228 -0.480 -10.589 180 HA3 GLY 25 3HA GLY 25 0.059 -1.713 -9.361 181 H CYS 26 HN CYS 26 -1.561 -3.781 -10.568 182 HA CYS 26 HA CYS 26 -0.256 -4.228 -13.212 183 HB2 CYS 26 2HB CYS 26 0.401 -6.437 -12.709 184 HB3 CYS 26 3HB CYS 26 1.048 -5.383 -11.453 185 H MET 27 H MET 27 -3.232 -4.113 -11.764 186 HA MET 27 HA MET 27 -5.297 -4.606 -12.386 187 HB2 MET 27 2HB MET 27 -4.318 -3.801 -14.667 188 HB3 MET 27 3HB MET 27 -4.446 -5.492 -15.133 189 HG2 MET 27 2HG MET 27 -6.521 -4.901 -15.776 190 HG3 MET 27 3HG MET 27 -6.940 -5.125 -14.085 191 HE1 MET 27 3HE MET 27 -6.954 -2.950 -12.315 192 HE2 MET 27 1HE MET 27 -5.393 -2.336 -12.918 193 HE3 MET 27 2HE MET 27 -6.808 -1.268 -12.878 194 H GLU 28 H GLU 28 -4.311 -6.426 -10.767 195 HA GLU 28 HA GLU 28 -5.819 -8.848 -11.590 196 HB2 GLU 28 2HB GLU 28 -3.055 -8.999 -10.312 197 HB3 GLU 28 3HB GLU 28 -4.201 -10.331 -10.470 198 HG2 GLU 28 2HG GLU 28 -4.168 -9.880 -13.005 199 HG3 GLU 28 3HG GLU 28 -2.744 -8.879 -12.699 200 H LYS 29 H LYS 29 -6.684 -10.051 -9.783 201 HA LYS 29 HA LYS 29 -7.694 -8.205 -7.832 202 HB2 LYS 29 2HB LYS 29 -8.987 -10.043 -6.948 203 HB3 LYS 29 3HB LYS 29 -9.109 -9.977 -8.706 204 HG2 LYS 29 2HG LYS 29 -7.528 -11.863 -8.922 205 HG3 LYS 29 3HG LYS 29 -7.292 -11.884 -7.163 206 HD2 LYS 29 2HD LYS 29 -9.744 -12.328 -6.877 207 HD3 LYS 29 3HD LYS 29 -9.886 -12.496 -8.639 208 HE2 LYS 29 2HE LYS 29 -8.356 -14.384 -8.652 209 HE3 LYS 29 3HE LYS 29 -7.909 -14.104 -6.965 210 HZ1 LYS 29 3HZ LYS 29 -10.612 -14.941 -7.861 211 HZ2 LYS 29 1HZ LYS 29 -9.506 -15.909 -7.144 212 HZ3 LYS 29 2HZ LYS 29 -10.160 -14.668 -6.303 213 H ILE 30 H ILE 30 -7.351 -7.948 -5.713 214 HA ILE 30 HA ILE 30 -4.818 -8.977 -4.630 215 HB ILE 30 HB ILE 30 -6.828 -6.910 -3.770 216 HG12 ILE 30 2HG1 ILE 30 -3.827 -6.670 -4.236 217 HG13 ILE 30 3HG1 ILE 30 -4.975 -6.584 -5.563 218 HG21 ILE 30 1HG2 ILE 30 -4.402 -7.727 -2.135 219 HG22 ILE 30 2HG2 ILE 30 -5.551 -6.404 -1.807 220 HG23 ILE 30 3HG2 ILE 30 -6.090 -8.067 -1.673 221 HD11 ILE 30 3HD1 ILE 30 -4.380 -4.365 -4.881 222 HD12 ILE 30 1HD1 ILE 30 -6.090 -4.651 -4.530 223 HD13 ILE 30 2HD1 ILE 30 -4.888 -4.669 -3.209 224 H GLU 31 H GLU 31 -4.566 -10.588 -3.238 225 HA GLU 31 HA GLU 31 -6.774 -12.395 -2.790 226 HB2 GLU 31 2HB GLU 31 -3.875 -12.510 -1.925 227 HB3 GLU 31 3HB GLU 31 -5.042 -13.820 -1.728 228 HG2 GLU 31 2HG GLU 31 -4.164 -12.628 -4.394 229 HG3 GLU 31 3HG GLU 31 -3.548 -14.104 -3.669 230 H LYS 32 H LYS 32 -7.794 -12.972 -1.002 231 HA LYS 32 HA LYS 32 -7.979 -11.173 1.253 232 HB2 LYS 32 2HB LYS 32 -9.877 -12.517 0.469 233 HB3 LYS 32 3HB LYS 32 -9.019 -14.013 0.867 234 HG2 LYS 32 2HG LYS 32 -9.049 -13.423 3.264 235 HG3 LYS 32 3HG LYS 32 -9.823 -11.870 2.886 236 HD2 LYS 32 2HD LYS 32 -11.791 -13.053 2.019 237 HD3 LYS 32 3HD LYS 32 -10.995 -14.619 2.313 238 HE2 LYS 32 2HE LYS 32 -10.889 -14.132 4.731 239 HE3 LYS 32 3HE LYS 32 -11.619 -12.546 4.461 240 HZ1 LYS 32 3HZ LYS 32 -13.269 -14.179 5.181 241 HZ2 LYS 32 1HZ LYS 32 -13.629 -13.663 3.677 242 HZ3 LYS 32 2HZ LYS 32 -12.959 -15.140 3.901 243 H GLY 33 H GLY 33 -7.280 -11.347 3.302 244 HA2 GLY 33 2HA GLY 33 -6.162 -12.104 5.181 245 HA3 GLY 33 3HA GLY 33 -5.985 -13.682 4.413 246 H GLN 34 H GLN 34 -4.661 -11.087 2.594 247 HA GLN 34 HA GLN 34 -2.026 -11.153 3.920 248 HB2 GLN 34 2HB GLN 34 -0.807 -11.314 1.829 249 HB3 GLN 34 3HB GLN 34 -1.770 -12.739 2.150 250 HG2 GLN 34 2HG GLN 34 -1.973 -12.400 -0.166 251 HG3 GLN 34 3HG GLN 34 -3.497 -11.858 0.491 252 HE21 GLN 34 1HE2 GLN 34 -4.115 -9.669 0.011 253 HE22 GLN 34 2HE2 GLN 34 -2.939 -8.478 -0.569 254 H VAL 35 H VAL 35 -0.640 -9.249 3.122 255 HA VAL 35 HA VAL 35 -2.218 -6.947 3.773 256 HB VAL 35 HB VAL 35 0.070 -7.418 4.575 257 HG11 VAL 35 1HG1 VAL 35 2.014 -6.767 3.282 258 HG12 VAL 35 2HG1 VAL 35 1.152 -8.062 2.439 259 HG13 VAL 35 3HG1 VAL 35 1.003 -6.382 1.875 260 HG21 VAL 35 3HG2 VAL 35 0.800 -5.138 4.653 261 HG22 VAL 35 1HG2 VAL 35 -0.237 -4.684 3.288 262 HG23 VAL 35 2HG2 VAL 35 -0.961 -5.205 4.834 263 H ARG 36 H ARG 36 -2.739 -5.104 2.685 264 HA ARG 36 HA ARG 36 -2.108 -4.820 -0.193 265 HB2 ARG 36 2HB ARG 36 -4.406 -4.239 -0.733 266 HB3 ARG 36 3HB ARG 36 -4.248 -5.901 -0.150 267 HG2 ARG 36 2HG ARG 36 -5.252 -5.380 1.959 268 HG3 ARG 36 3HG ARG 36 -5.183 -3.646 1.652 269 HD2 ARG 36 2HD ARG 36 -6.782 -4.000 -0.284 270 HD3 ARG 36 3HD ARG 36 -6.931 -5.685 0.226 271 HE ARG 36 HE ARG 36 -7.436 -3.713 2.352 272 HH11 ARG 36 1HH2 ARG 36 -9.095 -5.442 -0.245 273 HH12 ARG 36 2HH2 ARG 36 -10.631 -5.247 0.547 274 HH21 ARG 36 1HH1 ARG 36 -9.392 -3.537 3.264 275 HH22 ARG 36 2HH1 ARG 36 -10.810 -4.154 2.444 276 H LEU 37 H LEU 37 -1.972 -2.703 -0.933 277 HA LEU 37 HA LEU 37 -2.122 -0.539 1.122 278 HB2 LEU 37 2HB LEU 37 -0.289 -0.503 -1.286 279 HB3 LEU 37 3HB LEU 37 -0.344 0.579 0.121 280 HG LEU 37 HG LEU 37 1.608 -0.560 0.321 281 HD11 LEU 37 1HD1 LEU 37 1.489 -1.651 2.420 282 HD12 LEU 37 2HD1 LEU 37 0.249 -0.382 2.346 283 HD13 LEU 37 3HD1 LEU 37 -0.216 -2.088 2.189 284 HD21 LEU 37 3HD2 LEU 37 0.267 -3.287 0.087 285 HD22 LEU 37 1HD2 LEU 37 1.163 -2.468 -1.216 286 HD23 LEU 37 2HD2 LEU 37 1.980 -2.913 0.296 287 H SER 38 H SER 38 -2.760 1.585 0.346 288 HA SER 38 HA SER 38 -3.723 1.712 -2.426 289 HB2 SER 38 2HB SER 38 -5.857 2.711 -1.889 290 HB3 SER 38 3HB SER 38 -5.726 1.128 -1.126 291 HG SER 38 HG SER 38 -6.541 2.585 0.366 292 H LYS 39 H LYS 39 -4.006 3.777 -3.293 293 HA LYS 39 HA LYS 39 -2.819 6.073 -1.771 294 HB2 LYS 39 2HB LYS 39 -1.469 5.588 -3.724 295 HB3 LYS 39 3HB LYS 39 -2.895 5.599 -4.776 296 HG2 LYS 39 2HG LYS 39 -3.242 7.965 -4.436 297 HG3 LYS 39 3HG LYS 39 -2.010 8.018 -3.153 298 HD2 LYS 39 2HD LYS 39 -0.262 7.467 -4.816 299 HD3 LYS 39 3HD LYS 39 -1.499 7.374 -6.082 300 HE2 LYS 39 2HE LYS 39 -0.528 9.501 -6.352 301 HE3 LYS 39 3HE LYS 39 -2.079 9.797 -5.564 302 HZ1 LYS 39 3HZ LYS 39 -0.838 9.960 -3.433 303 HZ2 LYS 39 1HZ LYS 39 0.584 9.723 -4.235 304 HZ3 LYS 39 2HZ LYS 39 -0.302 11.067 -4.513 305 H LYS 40 H LYS 40 -4.063 7.784 -1.405 306 HA LYS 40 HA LYS 40 -6.857 7.829 -2.453 307 HB2 LYS 40 2HB LYS 40 -6.860 7.769 -0.131 308 HB3 LYS 40 3HB LYS 40 -5.599 8.961 0.038 309 HG2 LYS 40 2HG LYS 40 -8.332 9.598 -1.210 310 HG3 LYS 40 3HG LYS 40 -8.071 9.607 0.526 311 HD2 LYS 40 2HD LYS 40 -6.906 11.525 -1.504 312 HD3 LYS 40 3HD LYS 40 -7.948 11.860 -0.124 313 HE2 LYS 40 2HE LYS 40 -6.104 11.183 1.418 314 HE3 LYS 40 3HE LYS 40 -5.069 10.882 0.008 315 HZ1 LYS 40 3HZ LYS 40 -6.175 13.549 0.652 316 HZ2 LYS 40 1HZ LYS 40 -4.673 13.017 1.052 317 HZ3 LYS 40 2HZ LYS 40 -5.058 13.175 -0.511 318 H MET 41 H MET 41 -7.186 9.048 -4.165 319 HA MET 41 HA MET 41 -6.109 11.761 -4.370 320 HB2 MET 41 2HB MET 41 -4.959 11.445 -6.513 321 HB3 MET 41 3HB MET 41 -4.175 10.548 -5.218 322 HG2 MET 41 2HG MET 41 -5.265 8.460 -5.992 323 HG3 MET 41 3HG MET 41 -6.065 9.358 -7.288 324 HE1 MET 41 3HE MET 41 -3.569 7.114 -9.195 325 HE2 MET 41 1HE MET 41 -4.423 6.734 -7.682 326 HE3 MET 41 2HE MET 41 -5.265 7.621 -8.985 327 H VAL 42 H VAL 42 -7.394 13.097 -5.743 328 HA VAL 42 HA VAL 42 -9.711 12.105 -7.019 329 HB VAL 42 HB VAL 42 -9.485 14.433 -6.474 330 HG11 VAL 42 1HG1 VAL 42 -7.417 14.695 -8.692 331 HG12 VAL 42 2HG1 VAL 42 -8.122 16.006 -7.731 332 HG13 VAL 42 3HG1 VAL 42 -7.076 14.813 -6.952 333 HG21 VAL 42 3HG2 VAL 42 -11.011 13.752 -8.292 334 HG22 VAL 42 1HG2 VAL 42 -10.420 15.414 -8.456 335 HG23 VAL 42 2HG2 VAL 42 -9.737 14.133 -9.476 336 H ASP 43 H ASP 43 -10.129 11.171 -8.931 337 HA ASP 43 HA ASP 43 -7.960 10.000 -10.446 338 HB2 ASP 43 2HB ASP 43 -10.118 8.880 -10.084 339 HB3 ASP 43 3HB ASP 43 -10.938 10.141 -11.008 340 HA PRO 44 HA PRO 44 -7.357 13.612 -12.924 341 HB2 PRO 44 2HB PRO 44 -5.488 12.712 -14.730 342 HB3 PRO 44 3HB PRO 44 -5.140 12.935 -12.989 343 HG2 PRO 44 2HG PRO 44 -5.950 10.363 -14.400 344 HG3 PRO 44 3HG PRO 44 -4.562 10.623 -13.288 345 HD2 PRO 44 2HD PRO 44 -6.895 9.590 -12.417 346 HD3 PRO 44 3HD PRO 44 -5.973 10.752 -11.412 347 H GLU 45 H GLU 45 -8.826 10.794 -14.308 348 HA GLU 45 HA GLU 45 -9.560 12.275 -16.819 349 HB2 GLU 45 2HB GLU 45 -9.827 9.327 -16.121 350 HB3 GLU 45 3HB GLU 45 -10.293 10.070 -17.643 351 HG2 GLU 45 2HG GLU 45 -7.466 9.834 -16.531 352 HG3 GLU 45 3HG GLU 45 -8.157 8.907 -17.852 353 H LYS 46 H LYS 46 -10.693 11.486 -13.740 354 HA LYS 46 HA LYS 46 -13.545 12.088 -14.382 355 HB2 LYS 46 2HB LYS 46 -12.541 9.704 -12.795 356 HB3 LYS 46 3HB LYS 46 -14.233 10.196 -12.908 357 HG2 LYS 46 2HG LYS 46 -14.296 9.724 -15.282 358 HG3 LYS 46 3HG LYS 46 -12.583 9.282 -15.297 359 HD2 LYS 46 2HD LYS 46 -14.727 7.940 -13.609 360 HD3 LYS 46 3HD LYS 46 -14.135 7.313 -15.159 361 HE2 LYS 46 2HE LYS 46 -12.615 7.571 -12.536 362 HE3 LYS 46 3HE LYS 46 -13.065 6.087 -13.372 363 HZ1 LYS 46 3HZ LYS 46 -11.494 6.743 -15.163 364 HZ2 LYS 46 1HZ LYS 46 -11.052 8.082 -14.286 365 HZ3 LYS 46 2HZ LYS 46 -10.734 6.629 -13.704 366 HA PRO 47 HA PRO 47 -11.840 14.031 -10.450 367 HB2 PRO 47 2HB PRO 47 -12.091 16.704 -11.045 368 HB3 PRO 47 3HB PRO 47 -10.640 15.717 -11.400 369 HG2 PRO 47 2HG PRO 47 -12.941 16.380 -13.277 370 HG3 PRO 47 3HG PRO 47 -11.177 16.518 -13.594 371 HD2 PRO 47 2HD PRO 47 -12.593 14.366 -14.424 372 HD3 PRO 47 3HD PRO 47 -10.928 14.193 -13.790 373 H GLN 48 H GLN 48 -14.734 14.112 -12.288 374 HA GLN 48 HA GLN 48 -16.550 15.356 -10.472 375 HB2 GLN 48 2HB GLN 48 -17.052 14.800 -12.820 376 HB3 GLN 48 3HB GLN 48 -16.893 13.080 -12.469 377 HG2 GLN 48 2HG GLN 48 -19.231 13.705 -12.663 378 HG3 GLN 48 3HG GLN 48 -18.896 13.155 -11.032 379 HE21 GLN 48 2HE2 GLN 48 -18.794 14.822 -9.291 380 HE22 GLN 48 1HE2 GLN 48 -19.637 16.353 -9.547 381 H LEU 49 H LEU 49 -14.997 12.108 -10.378 382 HA LEU 49 HA LEU 49 -16.552 10.952 -8.265 383 HB2 LEU 49 2HB LEU 49 -13.606 10.860 -9.056 384 HB3 LEU 49 3HB LEU 49 -14.219 9.912 -7.726 385 HG LEU 49 HG LEU 49 -15.352 9.611 -10.531 386 HD11 LEU 49 1HD1 LEU 49 -13.067 8.194 -9.097 387 HD12 LEU 49 2HD1 LEU 49 -13.833 7.610 -10.603 388 HD13 LEU 49 3HD1 LEU 49 -12.970 9.168 -10.567 389 HD21 LEU 49 3HD2 LEU 49 -15.375 7.892 -8.001 390 HD22 LEU 49 1HD2 LEU 49 -16.764 8.759 -8.681 391 HD23 LEU 49 2HD2 LEU 49 -16.049 7.408 -9.578 392 H GLY 50 H GLY 50 -14.032 13.452 -8.172 393 HA2 GLY 50 2HA GLY 50 -12.834 14.394 -6.418 394 HA3 GLY 50 3HA GLY 50 -13.929 13.647 -5.250 395 H MET 51 H MET 51 -12.131 12.970 -4.078 396 HA MET 51 HA MET 51 -9.967 11.453 -5.029 397 HB2 MET 51 2HB MET 51 -10.728 11.666 -2.120 398 HB3 MET 51 3HB MET 51 -9.133 11.528 -2.863 399 HG2 MET 51 2HG MET 51 -9.782 13.860 -3.967 400 HG3 MET 51 3HG MET 51 -10.976 13.919 -2.674 401 HE1 MET 51 3HE MET 51 -7.290 13.037 -3.326 402 HE2 MET 51 1HE MET 51 -7.503 14.725 -3.826 403 HE3 MET 51 2HE MET 51 -6.430 14.338 -2.457 404 H ILE 52 H ILE 52 -9.657 9.340 -5.237 405 HA ILE 52 HA ILE 52 -11.535 7.432 -3.953 406 HB ILE 52 HB ILE 52 -11.157 5.970 -6.013 407 HG12 ILE 52 2HG1 ILE 52 -10.876 7.123 -8.169 408 HG13 ILE 52 3HG1 ILE 52 -10.432 8.619 -7.358 409 HG21 ILE 52 1HG2 ILE 52 -12.781 8.506 -6.363 410 HG22 ILE 52 2HG2 ILE 52 -13.043 6.927 -7.147 411 HG23 ILE 52 3HG2 ILE 52 -13.267 7.088 -5.402 412 HD11 ILE 52 3HD1 ILE 52 -8.499 7.290 -8.258 413 HD12 ILE 52 1HD1 ILE 52 -8.364 7.595 -6.535 414 HD13 ILE 52 2HD1 ILE 52 -8.901 5.998 -7.092 415 H ASP 53 H ASP 53 -10.763 5.246 -3.760 416 HA ASP 53 HA ASP 53 -8.025 5.155 -2.689 417 HB2 ASP 53 2HB ASP 53 -8.860 3.203 -1.466 418 HB3 ASP 53 3HB ASP 53 -9.754 4.673 -1.118 419 H ARG 54 H ARG 54 -6.818 4.834 -4.447 420 HA ARG 54 HA ARG 54 -7.239 2.676 -6.424 421 HB2 ARG 54 2HB ARG 54 -5.855 5.130 -6.383 422 HB3 ARG 54 3HB ARG 54 -4.559 3.975 -6.209 423 HG2 ARG 54 2HG ARG 54 -4.808 4.547 -8.497 424 HG3 ARG 54 3HG ARG 54 -5.253 2.856 -8.307 425 HD2 ARG 54 2HD ARG 54 -7.597 3.359 -8.596 426 HD3 ARG 54 3HD ARG 54 -7.326 5.056 -8.192 427 HE ARG 54 HE ARG 54 -5.911 4.319 -10.607 428 HH11 ARG 54 1HH2 ARG 54 -9.149 5.206 -9.526 429 HH12 ARG 54 2HH2 ARG 54 -9.355 6.268 -10.924 430 HH21 ARG 54 1HH1 ARG 54 -6.427 5.645 -12.407 431 HH22 ARG 54 2HH1 ARG 54 -7.992 6.459 -12.386 432 H TRP 55 H TRP 55 -6.873 0.566 -5.751 433 HA TRP 55 HA TRP 55 -5.014 0.076 -3.507 434 HB2 TRP 55 2HB TRP 55 -7.026 -1.708 -4.880 435 HB3 TRP 55 3HB TRP 55 -5.921 -2.253 -3.625 436 HD1 TRP 55 HD1 TRP 55 -9.031 -0.135 -4.109 437 HE1 TRP 55 HE1 TRP 55 -9.997 0.587 -1.851 438 HE3 TRP 55 HE3 TRP 55 -5.307 -1.866 -1.034 439 HZ2 TRP 55 HZ2 TRP 55 -9.303 0.366 0.932 440 HZ3 TRP 55 HZ3 TRP 55 -5.427 -1.448 1.414 441 HH2 TRP 55 HH2 TRP 55 -7.428 -0.377 2.411 442 H TYR 56 H TYR 56 -3.445 -1.534 -3.473 443 HA TYR 56 HA TYR 56 -2.172 -2.489 -5.965 444 HB2 TYR 56 2HB TYR 56 -0.822 -0.818 -3.799 445 HB3 TYR 56 3HB TYR 56 -0.022 -1.544 -5.190 446 HD1 TYR 56 HD1 TYR 56 -0.657 -0.795 -7.504 447 HD2 TYR 56 HD2 TYR 56 -1.873 1.342 -3.981 448 HE1 TYR 56 HE1 TYR 56 -1.262 1.185 -8.921 449 HE2 TYR 56 HE2 TYR 56 -2.491 3.307 -5.388 450 HH TYR 56 HH TYR 56 -2.152 3.280 -8.953 451 H HIS 57 H HIS 57 -0.735 -4.159 -5.680 452 HA HIS 57 HA HIS 57 -0.769 -5.850 -3.281 453 HB2 HIS 57 2HB HIS 57 0.962 -5.940 -5.757 454 HB3 HIS 57 3HB HIS 57 1.084 -7.103 -4.477 455 HD2 HIS 57 HD2 HIS 57 -1.392 -8.429 -3.868 456 HE1 HIS 57 HE1 HIS 57 -2.635 -8.397 -7.930 457 HE2 HIS 57 HE2 HIS 57 -2.999 -9.479 -5.688 458 HA PRO 58 HA PRO 58 2.886 -4.145 -1.180 459 HB2 PRO 58 2HB PRO 58 4.224 -6.420 -0.356 460 HB3 PRO 58 3HB PRO 58 2.773 -5.738 0.432 461 HG2 PRO 58 2HG PRO 58 2.897 -7.951 -1.643 462 HG3 PRO 58 3HG PRO 58 2.015 -7.949 -0.080 463 HD2 PRO 58 2HD PRO 58 0.708 -7.376 -2.335 464 HD3 PRO 58 3HD PRO 58 0.421 -6.371 -0.892 465 H GLY 59 H GLY 59 3.388 -6.349 -3.882 466 HA2 GLY 59 2HA GLY 59 6.202 -5.505 -4.277 467 HA3 GLY 59 3HA GLY 59 5.229 -6.513 -5.353 468 H CYS 60 HN CYS 60 3.031 -4.990 -5.902 469 HA CYS 60 HA CYS 60 4.014 -3.387 -7.941 470 HB2 CYS 60 2HB CYS 60 1.196 -3.515 -6.815 471 HB3 CYS 60 3HB CYS 60 1.653 -3.009 -8.449 472 H PHE 61 H PHE 61 2.576 -2.325 -4.808 473 HA PHE 61 HA PHE 61 2.417 0.422 -5.554 474 HB2 PHE 61 2HB PHE 61 1.707 0.810 -3.482 475 HB3 PHE 61 3HB PHE 61 1.558 -0.939 -3.423 476 HD1 PHE 61 HD2 PHE 61 3.439 -2.290 -2.422 477 HD2 PHE 61 HD1 PHE 61 3.242 1.979 -2.065 478 HE1 PHE 61 HE2 PHE 61 4.892 -2.401 -0.388 479 HE2 PHE 61 HE1 PHE 61 4.625 1.877 0.017 480 HZ PHE 61 HZ PHE 61 5.453 -0.315 0.849 481 H VAL 62 H VAL 62 5.160 -1.466 -4.323 482 HA VAL 62 HA VAL 62 7.036 0.744 -4.289 483 HB VAL 62 HB VAL 62 7.670 -2.212 -4.589 484 HG11 VAL 62 1HG1 VAL 62 9.345 0.146 -3.628 485 HG12 VAL 62 2HG1 VAL 62 9.833 -1.561 -3.567 486 HG13 VAL 62 3HG1 VAL 62 9.586 -0.785 -5.128 487 HG21 VAL 62 3HG2 VAL 62 6.387 -1.987 -2.584 488 HG22 VAL 62 1HG2 VAL 62 8.066 -2.062 -2.086 489 HG23 VAL 62 2HG2 VAL 62 7.226 -0.497 -2.114 490 H LYS 63 H LYS 63 6.072 -1.587 -6.837 491 HA LYS 63 HA LYS 63 8.024 -0.827 -8.761 492 HB2 LYS 63 2HB LYS 63 6.599 -2.837 -8.940 493 HB3 LYS 63 3HB LYS 63 5.171 -1.822 -9.144 494 HG2 LYS 63 2HG LYS 63 6.072 -0.945 -11.284 495 HG3 LYS 63 3HG LYS 63 7.494 -1.975 -11.085 496 HD2 LYS 63 2HD LYS 63 5.894 -2.996 -12.626 497 HD3 LYS 63 3HD LYS 63 6.089 -3.983 -11.186 498 HE2 LYS 63 2HE LYS 63 3.766 -3.937 -11.885 499 HE3 LYS 63 3HE LYS 63 3.927 -3.204 -10.294 500 HZ1 LYS 63 3HZ LYS 63 3.575 -1.051 -11.233 501 HZ2 LYS 63 1HZ LYS 63 3.824 -1.577 -12.778 502 HZ3 LYS 63 2HZ LYS 63 2.480 -2.000 -11.962 503 H ASN 64 H ASN 64 4.906 0.700 -7.987 504 HA ASN 64 HA ASN 64 5.531 2.929 -9.868 505 HB2 ASN 64 2HB ASN 64 2.932 3.361 -9.057 506 HB3 ASN 64 3HB ASN 64 3.499 2.768 -10.599 507 HD21 ASN 64 1HD2 ASN 64 2.046 1.856 -7.524 508 HD22 ASN 64 2HD2 ASN 64 1.473 0.298 -8.134 509 H ARG 65 H ARG 65 6.477 2.416 -6.896 510 HA ARG 65 HA ARG 65 5.758 4.121 -5.051 511 HB2 ARG 65 2HB ARG 65 7.750 2.784 -4.832 512 HB3 ARG 65 3HB ARG 65 8.441 3.451 -6.298 513 HG2 ARG 65 2HG ARG 65 8.800 5.647 -4.938 514 HG3 ARG 65 3HG ARG 65 8.450 4.632 -3.531 515 HD2 ARG 65 2HD ARG 65 10.837 4.763 -3.883 516 HD3 ARG 65 3HD ARG 65 10.298 3.116 -4.194 517 HE ARG 65 HE ARG 65 11.023 5.162 -6.289 518 HH11 ARG 65 1HH2 ARG 65 10.798 1.758 -5.453 519 HH12 ARG 65 2HH2 ARG 65 11.517 1.265 -6.957 520 HH21 ARG 65 1HH1 ARG 65 11.799 4.445 -8.233 521 HH22 ARG 65 2HH1 ARG 65 12.108 2.741 -8.454 522 H GLU 66 H GLU 66 7.823 5.244 -7.737 523 HA GLU 66 HA GLU 66 7.605 7.971 -6.808 524 HB2 GLU 66 2HB GLU 66 9.174 8.520 -8.633 525 HB3 GLU 66 3HB GLU 66 9.720 7.269 -7.520 526 HG2 GLU 66 2HG GLU 66 9.012 5.525 -9.220 527 HG3 GLU 66 3HG GLU 66 8.671 6.845 -10.347 528 H GLU 67 H GLU 67 5.755 6.125 -9.006 529 HA GLU 67 HA GLU 67 4.492 8.421 -10.340 530 HB2 GLU 67 2HB GLU 67 4.702 6.224 -11.455 531 HB3 GLU 67 3HB GLU 67 3.639 5.510 -10.236 532 HG2 GLU 67 2HG GLU 67 1.795 6.959 -10.924 533 HG3 GLU 67 3HG GLU 67 2.854 7.839 -12.031 534 H LEU 68 H LEU 68 3.864 6.212 -7.587 535 HA LEU 68 HA LEU 68 1.444 7.545 -6.691 536 HB2 LEU 68 2HB LEU 68 3.409 5.772 -5.192 537 HB3 LEU 68 3HB LEU 68 1.812 6.232 -4.620 538 HG LEU 68 HG LEU 68 2.478 4.422 -6.971 539 HD11 LEU 68 1HD1 LEU 68 1.060 3.922 -4.328 540 HD12 LEU 68 2HD1 LEU 68 1.295 2.729 -5.615 541 HD13 LEU 68 3HD1 LEU 68 2.701 3.393 -4.759 542 HD21 LEU 68 3HD2 LEU 68 -0.296 5.193 -6.017 543 HD22 LEU 68 1HD2 LEU 68 0.460 5.759 -7.532 544 HD23 LEU 68 2HD2 LEU 68 0.143 4.050 -7.301 545 H GLY 69 H GLY 69 4.739 8.450 -6.493 546 HA2 GLY 69 2HA GLY 69 5.421 10.628 -5.974 547 HA3 GLY 69 3HA GLY 69 3.981 10.879 -4.992 548 H PHE 70 H PHE 70 5.764 7.962 -4.260 549 HA PHE 70 HA PHE 70 6.395 8.783 -1.574 550 HB2 PHE 70 2HB PHE 70 7.180 6.468 -3.339 551 HB3 PHE 70 3HB PHE 70 7.971 6.696 -1.798 552 HD1 PHE 70 HD1 PHE 70 4.737 5.913 -3.419 553 HD2 PHE 70 HD2 PHE 70 6.913 6.175 0.285 554 HE1 PHE 70 HE1 PHE 70 2.981 4.558 -2.297 555 HE2 PHE 70 HE2 PHE 70 5.173 4.805 1.405 556 HZ PHE 70 HZ PHE 70 3.211 3.990 0.110 557 H ARG 71 H ARG 71 8.121 9.655 -0.685 558 HA ARG 71 HA ARG 71 10.782 9.725 -1.992 559 HB2 ARG 71 2HB ARG 71 9.289 12.063 -0.726 560 HB3 ARG 71 3HB ARG 71 11.030 12.066 -0.948 561 HG2 ARG 71 2HG ARG 71 10.854 11.968 -3.345 562 HG3 ARG 71 3HG ARG 71 9.112 11.664 -3.275 563 HD2 ARG 71 2HD ARG 71 9.578 13.987 -3.883 564 HD3 ARG 71 3HD ARG 71 8.661 13.834 -2.388 565 HE ARG 71 HE ARG 71 11.559 14.580 -2.614 566 HH11 ARG 71 1HH2 ARG 71 8.611 14.693 -0.621 567 HH12 ARG 71 2HH2 ARG 71 9.540 15.428 0.691 568 HH21 ARG 71 1HH1 ARG 71 12.499 15.608 -0.813 569 HH22 ARG 71 2HH1 ARG 71 11.471 15.889 0.594 570 HA PRO 72 HA PRO 72 12.331 8.107 1.671 571 HB2 PRO 72 2HB PRO 72 14.237 10.421 2.027 572 HB3 PRO 72 3HB PRO 72 14.570 8.663 2.099 573 HG2 PRO 72 2HG PRO 72 15.162 10.046 -0.152 574 HG3 PRO 72 3HG PRO 72 14.341 8.454 -0.289 575 HD2 PRO 72 2HD PRO 72 13.121 11.221 -0.428 576 HD3 PRO 72 3HD PRO 72 12.836 9.806 -1.483 577 H GLU 73 H GLU 73 11.486 11.557 2.167 578 HA GLU 73 HA GLU 73 11.507 11.256 5.063 579 HB2 GLU 73 2HB GLU 73 10.772 13.481 5.214 580 HB3 GLU 73 3HB GLU 73 11.971 13.404 3.926 581 HG2 GLU 73 2HG GLU 73 10.119 13.389 2.239 582 HG3 GLU 73 3HG GLU 73 8.947 13.528 3.553 583 H TYR 74 H TYR 74 9.315 10.101 2.792 584 HA TYR 74 HA TYR 74 7.474 9.362 4.922 585 HB2 TYR 74 2HB TYR 74 5.460 10.030 3.490 586 HB3 TYR 74 3HB TYR 74 6.275 11.217 4.470 587 HD1 TYR 74 HD1 TYR 74 6.746 9.957 0.940 588 HD2 TYR 74 HD2 TYR 74 6.319 13.321 3.594 589 HE1 TYR 74 HE1 TYR 74 6.766 11.512 -1.014 590 HE2 TYR 74 HE2 TYR 74 6.414 14.874 1.647 591 HH TYR 74 HH TYR 74 6.529 13.671 -1.720 592 H SER 75 H SER 75 9.026 7.636 4.205 593 HA SER 75 HA SER 75 8.516 5.829 2.080 594 HB2 SER 75 2HB SER 75 9.822 4.334 3.449 595 HB3 SER 75 3HB SER 75 10.465 5.969 3.642 596 HG SER 75 HG SER 75 10.244 5.100 5.700 597 H ALA 76 H ALA 76 8.030 3.376 3.069 598 HA ALA 76 HA ALA 76 5.263 3.004 3.358 599 HB1 ALA 76 1HB ALA 76 6.868 1.252 2.714 600 HB2 ALA 76 2HB ALA 76 7.590 1.294 4.339 601 HB3 ALA 76 3HB ALA 76 5.916 0.744 4.125 602 H SER 77 H SER 77 7.491 4.067 5.889 603 HA SER 77 HA SER 77 5.875 3.252 8.149 604 HB2 SER 77 2HB SER 77 8.021 5.374 7.767 605 HB3 SER 77 3HB SER 77 7.212 5.092 9.317 606 HG SER 77 HG SER 77 7.940 2.982 9.316 607 H GLN 78 H GLN 78 5.469 5.790 5.792 608 HA GLN 78 HA GLN 78 3.594 7.265 7.499 609 HB2 GLN 78 2HB GLN 78 5.188 7.961 5.044 610 HB3 GLN 78 3HB GLN 78 3.728 8.861 5.412 611 HG2 GLN 78 2HG GLN 78 5.733 9.984 6.286 612 HG3 GLN 78 3HG GLN 78 4.528 9.647 7.488 613 HE21 GLN 78 2HE2 GLN 78 5.143 8.490 9.312 614 HE22 GLN 78 1HE2 GLN 78 6.769 7.825 9.522 615 H LEU 79 H LEU 79 3.053 4.576 6.118 616 HA LEU 79 HA LEU 79 0.579 5.231 4.615 617 HB2 LEU 79 2HB LEU 79 1.906 2.647 5.513 618 HB3 LEU 79 3HB LEU 79 0.328 2.694 4.746 619 HG LEU 79 HG LEU 79 2.705 3.914 3.315 620 HD11 LEU 79 1HD1 LEU 79 1.948 0.968 3.177 621 HD12 LEU 79 2HD1 LEU 79 3.165 1.803 2.193 622 HD13 LEU 79 3HD1 LEU 79 3.407 1.598 3.935 623 HD21 LEU 79 3HD2 LEU 79 0.291 2.401 2.263 624 HD22 LEU 79 1HD2 LEU 79 0.315 4.148 2.526 625 HD23 LEU 79 2HD2 LEU 79 1.418 3.419 1.352 626 H LYS 80 H LYS 80 -1.465 5.194 5.480 627 HA LYS 80 HA LYS 80 -2.026 5.244 8.269 628 HB2 LYS 80 2HB LYS 80 -3.982 4.174 6.215 629 HB3 LYS 80 3HB LYS 80 -4.341 4.893 7.779 630 HG2 LYS 80 2HG LYS 80 -3.510 7.080 6.956 631 HG3 LYS 80 3HG LYS 80 -3.199 6.333 5.371 632 HD2 LYS 80 2HD LYS 80 -5.771 5.604 5.594 633 HD3 LYS 80 3HD LYS 80 -5.826 6.960 6.736 634 HE2 LYS 80 2HE LYS 80 -4.812 8.415 4.941 635 HE3 LYS 80 3HE LYS 80 -4.858 7.022 3.846 636 HZ1 LYS 80 3HZ LYS 80 -7.249 8.279 5.111 637 HZ2 LYS 80 1HZ LYS 80 -6.816 8.468 3.550 638 HZ3 LYS 80 2HZ LYS 80 -7.296 7.004 4.093 639 H GLY 81 H GLY 81 -2.720 3.736 9.714 640 HA2 GLY 81 2HA GLY 81 -3.042 1.716 10.754 641 HA3 GLY 81 3HA GLY 81 -3.512 1.087 9.172 642 H PHE 82 H PHE 82 -0.295 2.125 8.899 643 HA PHE 82 HA PHE 82 0.696 -0.365 8.266 644 HB2 PHE 82 2HB PHE 82 1.815 1.520 7.463 645 HB3 PHE 82 3HB PHE 82 1.933 2.275 9.045 646 HD1 PHE 82 HD1 PHE 82 3.528 -0.183 6.759 647 HD2 PHE 82 HD2 PHE 82 3.630 1.704 10.638 648 HE1 PHE 82 HE1 PHE 82 5.813 -1.067 7.136 649 HE2 PHE 82 HE2 PHE 82 5.912 0.784 11.024 650 HZ PHE 82 HZ PHE 82 6.980 -0.632 9.285 651 H SER 83 H SER 83 0.936 1.260 11.474 652 HA SER 83 HA SER 83 2.607 -0.731 12.637 653 HB2 SER 83 2HB SER 83 2.172 1.631 13.477 654 HB3 SER 83 3HB SER 83 0.690 0.989 14.222 655 HG SER 83 HG SER 83 2.520 0.914 15.641 656 H LEU 84 H LEU 84 -0.765 -0.871 11.927 657 HA LEU 84 HA LEU 84 -1.444 -2.894 13.952 658 HB2 LEU 84 2HB LEU 84 -3.110 -1.843 11.640 659 HB3 LEU 84 3HB LEU 84 -3.682 -2.720 13.048 660 HG LEU 84 HG LEU 84 -2.515 0.105 13.075 661 HD11 LEU 84 1HD1 LEU 84 -5.370 -0.869 13.454 662 HD12 LEU 84 2HD1 LEU 84 -4.795 0.809 13.586 663 HD13 LEU 84 3HD1 LEU 84 -4.731 -0.027 12.024 664 HD21 LEU 84 3HD2 LEU 84 -3.327 0.190 15.411 665 HD22 LEU 84 1HD2 LEU 84 -3.771 -1.530 15.323 666 HD23 LEU 84 2HD2 LEU 84 -2.066 -1.033 15.214 667 H LEU 85 H LEU 85 0.090 -3.010 10.930 668 HA LEU 85 HA LEU 85 -0.939 -5.562 9.945 669 HB2 LEU 85 2HB LEU 85 1.463 -3.814 9.374 670 HB3 LEU 85 3HB LEU 85 1.396 -5.423 8.724 671 HG LEU 85 HG LEU 85 -0.448 -4.993 7.339 672 HD11 LEU 85 1HD1 LEU 85 -0.737 -2.259 8.624 673 HD12 LEU 85 2HD1 LEU 85 -1.592 -2.809 7.171 674 HD13 LEU 85 3HD1 LEU 85 -1.908 -3.593 8.725 675 HD21 LEU 85 3HD2 LEU 85 1.402 -2.565 7.334 676 HD22 LEU 85 1HD2 LEU 85 1.764 -4.148 6.622 677 HD23 LEU 85 2HD2 LEU 85 0.452 -3.156 5.957 678 H ALA 86 H ALA 86 0.608 -7.440 9.662 679 HA ALA 86 HA ALA 86 1.704 -8.410 12.161 680 HB1 ALA 86 1HB ALA 86 2.490 -10.280 10.755 681 HB2 ALA 86 2HB ALA 86 0.794 -9.894 10.396 682 HB3 ALA 86 3HB ALA 86 2.079 -9.365 9.289 683 H THR 87 H THR 87 3.864 -8.507 12.839 684 HA THR 87 HA THR 87 5.571 -6.398 12.301 685 HB THR 87 HB THR 87 6.499 -9.125 13.240 686 HG1 THR 87 1HG THR 87 5.840 -8.430 15.284 687 HG21 THR 87 1HG2 THR 87 7.386 -6.286 13.954 688 HG22 THR 87 2HG2 THR 87 8.006 -7.779 14.697 689 HG23 THR 87 3HG2 THR 87 8.312 -7.453 12.987 690 H GLU 88 H GLU 88 5.718 -9.642 10.799 691 HA GLU 88 HA GLU 88 8.093 -9.209 9.286 692 HB2 GLU 88 2HB GLU 88 7.433 -11.147 8.004 693 HB3 GLU 88 3HB GLU 88 7.176 -11.418 9.725 694 HG2 GLU 88 2HG GLU 88 4.723 -10.927 9.391 695 HG3 GLU 88 3HG GLU 88 5.023 -10.788 7.657 696 H ASP 89 H ASP 89 4.770 -8.164 8.604 697 HA ASP 89 HA ASP 89 5.459 -7.318 5.848 698 HB2 ASP 89 2HB ASP 89 2.976 -6.838 7.530 699 HB3 ASP 89 3HB ASP 89 3.207 -6.269 5.879 700 H LYS 90 H LYS 90 5.019 -5.850 9.075 701 HA LYS 90 HA LYS 90 5.475 -3.125 8.337 702 HB2 LYS 90 2HB LYS 90 6.054 -4.655 10.906 703 HB3 LYS 90 3HB LYS 90 6.278 -2.909 10.744 704 HG2 LYS 90 2HG LYS 90 3.975 -2.533 10.285 705 HG3 LYS 90 3HG LYS 90 3.636 -4.247 10.057 706 HD2 LYS 90 2HD LYS 90 2.718 -3.499 12.144 707 HD3 LYS 90 3HD LYS 90 3.975 -4.702 12.432 708 HE2 LYS 90 2HE LYS 90 5.565 -2.955 13.079 709 HE3 LYS 90 3HE LYS 90 4.411 -1.695 12.618 710 HZ1 LYS 90 3HZ LYS 90 2.910 -2.568 14.376 711 HZ2 LYS 90 1HZ LYS 90 4.062 -3.628 14.851 712 HZ3 LYS 90 2HZ LYS 90 4.316 -2.017 14.996 713 H GLU 91 H GLU 91 7.813 -5.726 9.058 714 HA GLU 91 HA GLU 91 10.154 -4.092 8.444 715 HB2 GLU 91 2HB GLU 91 9.709 -7.116 8.367 716 HB3 GLU 91 3HB GLU 91 11.251 -6.304 8.090 717 HG2 GLU 91 2HG GLU 91 11.151 -5.349 10.389 718 HG3 GLU 91 3HG GLU 91 9.642 -6.231 10.670 719 H ALA 92 H ALA 92 8.294 -6.514 6.440 720 HA ALA 92 HA ALA 92 10.076 -6.298 4.278 721 HB1 ALA 92 1HB ALA 92 7.200 -7.267 4.326 722 HB2 ALA 92 2HB ALA 92 8.393 -7.601 3.049 723 HB3 ALA 92 3HB ALA 92 8.659 -8.227 4.685 724 H LEU 93 H LEU 93 7.121 -4.384 4.862 725 HA LEU 93 HA LEU 93 7.008 -3.185 2.227 726 HB2 LEU 93 2HB LEU 93 6.017 -2.238 4.946 727 HB3 LEU 93 3HB LEU 93 5.636 -1.444 3.420 728 HG LEU 93 HG LEU 93 4.861 -4.332 4.029 729 HD11 LEU 93 1HD1 LEU 93 3.245 -1.755 4.213 730 HD12 LEU 93 2HD1 LEU 93 2.594 -3.404 4.365 731 HD13 LEU 93 3HD1 LEU 93 3.742 -2.791 5.570 732 HD21 LEU 93 3HD2 LEU 93 4.981 -3.845 1.626 733 HD22 LEU 93 1HD2 LEU 93 3.309 -4.047 2.163 734 HD23 LEU 93 2HD2 LEU 93 3.944 -2.414 1.866 735 H LYS 94 H LYS 94 8.599 -2.156 5.285 736 HA LYS 94 HA LYS 94 9.876 0.192 4.173 737 HB2 LYS 94 2HB LYS 94 10.477 -1.547 6.609 738 HB3 LYS 94 3HB LYS 94 11.332 -0.049 6.216 739 HG2 LYS 94 2HG LYS 94 9.283 1.260 6.436 740 HG3 LYS 94 3HG LYS 94 8.313 -0.198 6.637 741 HD2 LYS 94 2HD LYS 94 8.687 0.865 8.800 742 HD3 LYS 94 3HD LYS 94 9.409 -0.737 8.740 743 HE2 LYS 94 2HE LYS 94 10.869 0.751 9.919 744 HE3 LYS 94 3HE LYS 94 11.642 0.224 8.429 745 HZ1 LYS 94 3HZ LYS 94 11.117 2.376 7.446 746 HZ2 LYS 94 1HZ LYS 94 10.192 2.825 8.707 747 HZ3 LYS 94 2HZ LYS 94 11.818 2.682 8.889 748 H LYS 95 H LYS 95 10.944 -3.208 4.572 749 HA LYS 95 HA LYS 95 13.604 -2.759 3.680 750 HB2 LYS 95 2HB LYS 95 11.875 -5.241 3.770 751 HB3 LYS 95 3HB LYS 95 13.514 -5.299 3.116 752 HG2 LYS 95 2HG LYS 95 14.486 -4.488 5.161 753 HG3 LYS 95 3HG LYS 95 12.907 -4.183 5.886 754 HD2 LYS 95 2HD LYS 95 12.404 -6.581 5.944 755 HD3 LYS 95 3HD LYS 95 13.917 -6.946 5.078 756 HE2 LYS 95 2HE LYS 95 15.236 -5.960 6.897 757 HE3 LYS 95 3HE LYS 95 13.765 -5.521 7.775 758 HZ1 LYS 95 3HZ LYS 95 14.938 -7.646 8.471 759 HZ2 LYS 95 1HZ LYS 95 13.342 -7.766 8.282 760 HZ3 LYS 95 2HZ LYS 95 14.361 -8.350 7.115 761 H GLN 96 H GLN 96 10.734 -3.027 1.768 762 HA GLN 96 HA GLN 96 12.266 -3.110 -0.788 763 HB2 GLN 96 2HB GLN 96 9.296 -3.234 -0.164 764 HB3 GLN 96 3HB GLN 96 9.991 -3.256 -1.793 765 HG2 GLN 96 2HG GLN 96 11.106 -5.352 -1.418 766 HG3 GLN 96 3HG GLN 96 10.709 -5.344 0.302 767 HE21 GLN 96 2HE2 GLN 96 8.402 -5.465 0.916 768 HE22 GLN 96 1HE2 GLN 96 7.294 -6.330 -0.163 769 H LEU 97 H LEU 97 10.273 -0.897 1.177 770 HA LEU 97 HA LEU 97 11.183 1.387 -0.500 771 HB2 LEU 97 2HB LEU 97 9.024 0.728 -1.255 772 HB3 LEU 97 3HB LEU 97 8.351 0.721 0.368 773 HG LEU 97 HG LEU 97 8.205 3.058 0.477 774 HD11 LEU 97 1HD1 LEU 97 10.174 3.223 -1.836 775 HD12 LEU 97 2HD1 LEU 97 9.249 4.604 -1.188 776 HD13 LEU 97 3HD1 LEU 97 10.428 3.785 -0.170 777 HD21 LEU 97 3HD2 LEU 97 7.051 3.671 -1.600 778 HD22 LEU 97 1HD2 LEU 97 7.833 2.330 -2.458 779 HD23 LEU 97 2HD2 LEU 97 6.681 2.006 -1.153 780 HA PRO 98 HA PRO 98 11.828 2.236 3.959 781 HB2 PRO 98 2HB PRO 98 14.573 2.442 4.029 782 HB3 PRO 98 3HB PRO 98 13.689 0.904 4.122 783 HG2 PRO 98 2HG PRO 98 15.206 2.055 1.820 784 HG3 PRO 98 3HG PRO 98 14.838 0.342 2.205 785 HD2 PRO 98 2HD PRO 98 13.492 2.048 0.330 786 HD3 PRO 98 3HD PRO 98 13.072 0.385 0.817 787 H GLY 99 H GLY 99 12.471 4.224 5.093 788 HA2 GLY 99 2HA GLY 99 14.145 6.206 3.920 789 HA3 GLY 99 3HA GLY 99 12.463 6.721 3.858 790 H VAL 100 H VAL 100 13.415 8.395 5.216 791 HA VAL 100 HA VAL 100 14.118 9.539 7.004 792 HB VAL 100 HB VAL 100 12.231 7.630 8.393 793 HG11 VAL 100 1HG1 VAL 100 13.323 10.303 9.384 794 HG12 VAL 100 2HG1 VAL 100 11.962 9.418 10.104 795 HG13 VAL 100 3HG1 VAL 100 13.574 8.710 10.144 796 HG21 VAL 100 3HG2 VAL 100 11.882 10.439 7.258 797 HG22 VAL 100 1HG2 VAL 100 11.219 8.946 6.565 798 HG23 VAL 100 2HG2 VAL 100 10.638 9.515 8.130 799 H LYS 101 H LYS 101 15.504 9.858 8.670 800 HA LYS 101 HA LYS 101 17.685 7.939 8.654 801 HB2 LYS 101 2HB LYS 101 17.721 10.538 8.317 802 HB3 LYS 101 3HB LYS 101 17.745 10.603 10.083 803 HG2 LYS 101 2HG LYS 101 19.778 9.036 9.980 804 HG3 LYS 101 3HG LYS 101 19.678 9.153 8.221 805 HD2 LYS 101 2HD LYS 101 21.398 10.651 8.979 806 HD3 LYS 101 3HD LYS 101 20.043 11.629 8.392 807 HE2 LYS 101 2HE LYS 101 19.278 11.966 10.739 808 HE3 LYS 101 3HE LYS 101 20.600 10.945 11.320 809 HZ1 LYS 101 3HZ LYS 101 21.160 13.304 11.477 810 HZ2 LYS 101 1HZ LYS 101 22.169 12.576 10.423 811 HZ3 LYS 101 2HZ LYS 101 20.952 13.519 9.874 812 H SER 102 H SER 102 15.640 6.777 10.089 813 HA SER 102 HA SER 102 15.777 7.179 12.935 814 HB2 SER 102 2HB SER 102 14.528 5.045 13.047 815 HB3 SER 102 3HB SER 102 13.826 6.205 11.905 816 HG SER 102 HG SER 102 13.987 4.045 11.059 817 H GLU 103 H GLU 103 17.819 5.333 10.788 818 HA GLU 103 HA GLU 103 19.128 3.675 12.761 819 HB2 GLU 103 2HB GLU 103 19.188 3.194 10.370 820 HB3 GLU 103 3HB GLU 103 19.940 4.747 10.030 821 HG2 GLU 103 2HG GLU 103 21.544 2.912 9.865 822 HG3 GLU 103 3HG GLU 103 22.003 4.087 11.086 823 H GLY 104 H GLY 104 19.493 7.073 11.900 824 HA2 GLY 104 2HA GLY 104 20.675 8.776 12.858 825 HA3 GLY 104 3HA GLY 104 21.147 7.674 14.149 826 H LYS 105 H LYS 105 22.815 5.928 13.226 827 HA LYS 105 HA LYS 105 25.184 7.546 12.557 828 HB2 LYS 105 2HB LYS 105 26.459 5.796 13.539 829 HB3 LYS 105 3HB LYS 105 25.071 6.109 14.577 830 HG2 LYS 105 2HG LYS 105 23.923 4.099 13.616 831 HG3 LYS 105 3HG LYS 105 25.344 3.797 12.601 832 HD2 LYS 105 2HD LYS 105 26.719 3.703 14.748 833 HD3 LYS 105 3HD LYS 105 25.193 3.679 15.639 834 HE2 LYS 105 2HE LYS 105 26.071 1.671 13.504 835 HE3 LYS 105 3HE LYS 105 26.200 1.416 15.246 836 HZ1 LYS 105 3HZ LYS 105 23.654 1.748 13.740 837 HZ2 LYS 105 1HZ LYS 105 24.231 0.354 14.344 838 HZ3 LYS 105 2HZ LYS 105 23.763 1.548 15.371 839 H ARG 106 H ARG 106 23.204 5.699 10.686 840 HA ARG 106 HA ARG 106 23.210 4.632 8.699 841 HB2 ARG 106 2HB ARG 106 24.414 6.670 7.933 842 HB3 ARG 106 3HB ARG 106 25.950 5.827 8.167 843 HG2 ARG 106 2HG ARG 106 25.319 4.155 6.468 844 HG3 ARG 106 3HG ARG 106 23.735 4.940 6.268 845 HD2 ARG 106 2HD ARG 106 24.857 7.005 5.510 846 HD3 ARG 106 3HD ARG 106 26.443 6.247 5.765 847 HE ARG 106 HE ARG 106 24.909 4.595 4.016 848 HH11 ARG 106 1HH2 ARG 106 26.543 7.692 3.902 849 HH12 ARG 106 2HH2 ARG 106 26.823 7.584 2.183 850 HH21 ARG 106 1HH1 ARG 106 25.297 4.521 1.829 851 HH22 ARG 106 2HH1 ARG 106 26.130 5.833 1.049 852 H LYS 107 H LYS 107 23.727 2.673 7.732 853 HA LYS 107 HA LYS 107 24.992 0.708 9.440 854 HB2 LYS 107 2HB LYS 107 24.060 0.500 6.543 855 HB3 LYS 107 3HB LYS 107 24.540 -0.859 7.550 856 HG2 LYS 107 2HG LYS 107 22.111 0.919 7.976 857 HG3 LYS 107 3HG LYS 107 22.145 -0.750 7.406 858 HD2 LYS 107 2HD LYS 107 23.222 -1.368 9.662 859 HD3 LYS 107 3HD LYS 107 22.811 0.278 10.188 860 HE2 LYS 107 2HE LYS 107 20.400 -0.254 9.452 861 HE3 LYS 107 3HE LYS 107 20.930 -1.934 9.268 862 HZ1 LYS 107 3HZ LYS 107 20.041 -1.704 11.452 863 HZ2 LYS 107 1HZ LYS 107 21.671 -1.752 11.680 864 HZ3 LYS 107 2HZ LYS 107 20.854 -0.318 11.747 865 H GLY 108 H GLY 108 26.697 -0.707 8.926 866 HA2 GLY 108 2HA GLY 108 28.691 -0.291 6.917 867 HA3 GLY 108 3HA GLY 108 29.178 0.551 8.391 868 H ASP 109 H ASP 109 29.552 -0.660 10.308 869 HA ASP 109 HA ASP 109 30.796 -3.222 9.980 870 HB2 ASP 109 2HB ASP 109 31.401 -1.437 11.641 871 HB3 ASP 109 3HB ASP 109 29.913 -1.793 12.519 872 H GLU 110 H GLU 110 27.499 -2.497 10.452 873 HA GLU 110 HA GLU 110 26.819 -5.128 11.480 874 HB2 GLU 110 2HB GLU 110 25.034 -2.899 10.418 875 HB3 GLU 110 3HB GLU 110 24.465 -4.381 11.212 876 HG2 GLU 110 2HG GLU 110 25.658 -3.755 13.282 877 HG3 GLU 110 3HG GLU 110 26.243 -2.275 12.510 878 H VAL 111 H VAL 111 28.373 -5.318 9.223 879 HA VAL 111 HA VAL 111 28.643 -6.255 7.204 880 HB VAL 111 HB VAL 111 26.219 -7.986 7.733 881 HG11 VAL 111 1HG1 VAL 111 27.450 -8.336 5.574 882 HG12 VAL 111 2HG1 VAL 111 28.957 -8.547 6.483 883 HG13 VAL 111 3HG1 VAL 111 27.627 -9.711 6.663 884 HG21 VAL 111 3HG2 VAL 111 28.990 -8.220 8.987 885 HG22 VAL 111 1HG2 VAL 111 27.455 -7.967 9.847 886 HG23 VAL 111 2HG2 VAL 111 27.746 -9.488 9.010 887 H ASP 112 H ASP 112 27.717 -3.890 6.783 888 HA ASP 112 HA ASP 112 25.424 -3.670 5.033 889 HB2 ASP 112 2HB ASP 112 26.365 -1.762 6.230 890 HB3 ASP 112 3HB ASP 112 27.878 -1.912 5.341 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 8.591 13.242 24.943 2 H2 GLY 1 H2 GLY 1 8.649 13.414 23.313 3 H3 GLY 1 H3 GLY 1 10.024 13.130 24.153 4 HA2 GLY 1 2HA GLY 1 9.256 10.940 24.800 5 HA3 GLY 1 3HA GLY 1 7.771 11.247 23.881 6 H SER 2 H SER 2 8.632 9.120 22.938 7 HA SER 2 HA SER 2 10.897 9.070 21.205 8 HB2 SER 2 2HB SER 2 8.392 7.357 21.065 9 HB3 SER 2 3HB SER 2 9.980 6.971 20.382 10 HG SER 2 HG SER 2 10.822 6.909 22.505 11 H LYS 3 H LYS 3 11.085 9.049 18.984 12 HA LYS 3 HA LYS 3 9.253 10.882 17.523 13 HB2 LYS 3 2HB LYS 3 12.026 9.865 16.858 14 HB3 LYS 3 3HB LYS 3 11.119 11.059 15.927 15 HG2 LYS 3 2HG LYS 3 11.255 12.677 17.737 16 HG3 LYS 3 3HG LYS 3 11.969 11.476 18.825 17 HD2 LYS 3 2HD LYS 3 13.737 12.906 17.993 18 HD3 LYS 3 3HD LYS 3 13.941 11.270 17.355 19 HE2 LYS 3 2HE LYS 3 12.741 12.080 15.234 20 HE3 LYS 3 3HE LYS 3 12.863 13.720 15.886 21 HZ1 LYS 3 3HZ LYS 3 15.302 13.415 15.893 22 HZ2 LYS 3 1HZ LYS 3 15.124 11.885 15.295 23 HZ3 LYS 3 2HZ LYS 3 14.690 13.153 14.388 24 H ALA 4 H ALA 4 8.098 8.388 17.901 25 HA ALA 4 HA ALA 4 8.447 6.603 15.673 26 HB1 ALA 4 1HB ALA 4 6.316 5.632 16.432 27 HB2 ALA 4 2HB ALA 4 7.410 5.916 17.799 28 HB3 ALA 4 3HB ALA 4 6.048 7.023 17.503 29 H GLU 5 H GLU 5 7.319 6.413 13.729 30 HA GLU 5 HA GLU 5 6.553 8.974 12.584 31 HB2 GLU 5 2HB GLU 5 6.815 6.203 11.361 32 HB3 GLU 5 3HB GLU 5 6.416 7.669 10.458 33 HG2 GLU 5 2HG GLU 5 8.543 8.721 11.261 34 HG3 GLU 5 3HG GLU 5 8.980 7.192 12.031 35 H LYS 6 H LYS 6 4.753 9.428 11.307 36 HA LYS 6 HA LYS 6 2.272 7.845 11.643 37 HB2 LYS 6 2HB LYS 6 0.942 9.775 12.197 38 HB3 LYS 6 3HB LYS 6 2.225 9.602 13.392 39 HG2 LYS 6 2HG LYS 6 3.525 11.407 12.251 40 HG3 LYS 6 3HG LYS 6 2.227 11.568 11.052 41 HD2 LYS 6 2HD LYS 6 0.633 12.177 12.882 42 HD3 LYS 6 3HD LYS 6 1.944 12.009 14.054 43 HE2 LYS 6 2HE LYS 6 1.714 14.339 13.618 44 HE3 LYS 6 3HE LYS 6 3.218 13.810 12.861 45 HZ1 LYS 6 3HZ LYS 6 1.911 15.250 11.393 46 HZ2 LYS 6 1HZ LYS 6 2.036 13.771 10.718 47 HZ3 LYS 6 2HZ LYS 6 0.638 14.234 11.434 48 H THR 7 H THR 7 0.580 8.516 10.062 49 HA THR 7 HA THR 7 1.598 8.296 7.486 50 HB THR 7 HB THR 7 -1.146 9.410 8.037 51 HG1 THR 7 1HG THR 7 -1.799 7.492 8.707 52 HG21 THR 7 1HG2 THR 7 -0.151 8.764 5.610 53 HG22 THR 7 2HG2 THR 7 -0.544 7.158 6.126 54 HG23 THR 7 3HG2 THR 7 -1.801 8.427 6.050 55 H LEU 8 H LEU 8 1.905 9.612 5.718 56 HA LEU 8 HA LEU 8 2.009 12.505 6.081 57 HB2 LEU 8 2HB LEU 8 3.020 12.658 4.068 58 HB3 LEU 8 3HB LEU 8 3.495 11.042 4.556 59 HG LEU 8 HG LEU 8 1.313 11.781 2.539 60 HD11 LEU 8 1HD1 LEU 8 2.812 10.819 0.884 61 HD12 LEU 8 2HD1 LEU 8 3.635 12.125 1.750 62 HD13 LEU 8 3HD1 LEU 8 4.005 10.431 2.140 63 HD21 LEU 8 3HD2 LEU 8 2.322 9.049 3.402 64 HD22 LEU 8 1HD2 LEU 8 0.687 9.664 3.643 65 HD23 LEU 8 2HD2 LEU 8 1.261 9.359 2.008 66 H GLY 9 H GLY 9 -0.612 10.460 5.349 67 HA2 GLY 9 2HA GLY 9 -2.844 11.136 5.318 68 HA3 GLY 9 3HA GLY 9 -2.381 12.755 4.817 69 H ASP 10 H ASP 10 -1.066 10.121 2.847 70 HA ASP 10 HA ASP 10 -3.133 10.645 0.770 71 HB2 ASP 10 2HB ASP 10 -0.122 10.814 0.455 72 HB3 ASP 10 3HB ASP 10 -1.259 10.783 -0.890 73 H PHE 11 H PHE 11 -1.330 8.156 2.368 74 HA PHE 11 HA PHE 11 -2.606 6.229 0.593 75 HB2 PHE 11 2HB PHE 11 -0.353 4.962 0.331 76 HB3 PHE 11 3HB PHE 11 -0.831 6.217 -0.750 77 HD1 PHE 11 HD2 PHE 11 1.188 6.100 2.482 78 HD2 PHE 11 HD1 PHE 11 0.814 7.548 -1.567 79 HE1 PHE 11 HE2 PHE 11 3.485 7.005 2.587 80 HE2 PHE 11 HE1 PHE 11 3.081 8.532 -1.416 81 HZ PHE 11 HZ PHE 11 4.432 8.240 0.655 82 H ALA 12 H ALA 12 -2.572 4.030 1.316 83 HA ALA 12 HA ALA 12 -2.492 3.769 4.287 84 HB1 ALA 12 1HB ALA 12 -4.815 3.047 2.471 85 HB2 ALA 12 2HB ALA 12 -4.769 2.917 4.236 86 HB3 ALA 12 3HB ALA 12 -4.736 4.516 3.454 87 H ALA 13 H ALA 13 -2.621 1.620 5.118 88 HA ALA 13 HA ALA 13 -2.021 -0.652 3.300 89 HB1 ALA 13 1HB ALA 13 0.085 0.420 4.124 90 HB2 ALA 13 2HB ALA 13 -0.436 0.129 5.793 91 HB3 ALA 13 3HB ALA 13 -0.112 -1.244 4.698 92 H GLU 14 H GLU 14 -3.028 -2.588 3.949 93 HA GLU 14 HA GLU 14 -4.113 -2.939 6.650 94 HB2 GLU 14 2HB GLU 14 -5.672 -1.327 5.345 95 HB3 GLU 14 3HB GLU 14 -5.986 -2.677 4.255 96 HG2 GLU 14 2HG GLU 14 -6.871 -3.982 6.208 97 HG3 GLU 14 3HG GLU 14 -6.499 -2.622 7.265 98 H TYR 15 H TYR 15 -4.952 -5.190 6.874 99 HA TYR 15 HA TYR 15 -4.075 -7.035 4.767 100 HB2 TYR 15 2HB TYR 15 -5.609 -7.470 7.341 101 HB3 TYR 15 3HB TYR 15 -5.118 -8.746 6.231 102 HD1 TYR 15 HD1 TYR 15 -2.467 -8.348 5.433 103 HD2 TYR 15 HD2 TYR 15 -4.157 -7.165 9.208 104 HE1 TYR 15 HE1 TYR 15 -0.272 -8.779 6.551 105 HE2 TYR 15 HE2 TYR 15 -1.965 -7.564 10.310 106 HH TYR 15 HH TYR 15 0.881 -8.769 8.467 107 H ALA 16 H ALA 16 -5.208 -7.917 3.187 108 HA ALA 16 HA ALA 16 -7.442 -6.563 2.185 109 HB1 ALA 16 1HB ALA 16 -6.245 -9.232 1.434 110 HB2 ALA 16 2HB ALA 16 -7.363 -8.294 0.415 111 HB3 ALA 16 3HB ALA 16 -5.753 -7.650 0.806 112 H LYS 17 H LYS 17 -9.476 -6.613 2.792 113 HA LYS 17 HA LYS 17 -10.520 -8.665 4.543 114 HB2 LYS 17 2HB LYS 17 -11.873 -6.249 3.262 115 HB3 LYS 17 3HB LYS 17 -12.556 -7.252 4.549 116 HG2 LYS 17 2HG LYS 17 -10.640 -6.637 6.036 117 HG3 LYS 17 3HG LYS 17 -9.988 -5.610 4.756 118 HD2 LYS 17 2HD LYS 17 -11.115 -4.205 6.316 119 HD3 LYS 17 3HD LYS 17 -12.056 -4.222 4.818 120 HE2 LYS 17 2HE LYS 17 -13.629 -5.863 5.821 121 HE3 LYS 17 3HE LYS 17 -12.655 -5.906 7.296 122 HZ1 LYS 17 3HZ LYS 17 -14.066 -3.504 6.257 123 HZ2 LYS 17 1HZ LYS 17 -14.547 -4.404 7.528 124 HZ3 LYS 17 2HZ LYS 17 -13.165 -3.543 7.621 125 H SER 18 H SER 18 -10.702 -8.241 1.106 126 HA SER 18 HA SER 18 -12.152 -10.768 0.827 127 HB2 SER 18 2HB SER 18 -13.993 -9.091 0.993 128 HB3 SER 18 3HB SER 18 -13.321 -8.240 -0.416 129 HG SER 18 HG SER 18 -15.045 -9.932 -0.726 130 H ASN 19 H ASN 19 -12.007 -11.669 -1.245 131 HA ASN 19 HA ASN 19 -9.786 -10.950 -2.965 132 HB2 ASN 19 2HB ASN 19 -12.137 -12.863 -3.350 133 HB3 ASN 19 3HB ASN 19 -10.733 -12.760 -4.408 134 HD21 ASN 19 2HD2 ASN 19 -8.682 -13.552 -3.662 135 HD22 ASN 19 1HD2 ASN 19 -8.662 -14.700 -2.332 136 H ARG 20 H ARG 20 -12.885 -9.584 -2.656 137 HA ARG 20 HA ARG 20 -13.267 -8.597 -5.370 138 HB2 ARG 20 2HB ARG 20 -14.181 -7.504 -2.667 139 HB3 ARG 20 3HB ARG 20 -14.745 -6.922 -4.228 140 HG2 ARG 20 2HG ARG 20 -15.192 -9.741 -3.152 141 HG3 ARG 20 3HG ARG 20 -16.367 -8.422 -3.154 142 HD2 ARG 20 2HD ARG 20 -16.232 -8.348 -5.642 143 HD3 ARG 20 3HD ARG 20 -15.132 -9.746 -5.595 144 HE ARG 20 HE ARG 20 -17.429 -10.471 -4.135 145 HH11 ARG 20 1HH2 ARG 20 -16.727 -9.705 -7.482 146 HH12 ARG 20 2HH2 ARG 20 -18.025 -10.706 -8.077 147 HH21 ARG 20 1HH1 ARG 20 -19.067 -11.723 -4.962 148 HH22 ARG 20 2HH1 ARG 20 -19.310 -11.815 -6.681 149 H SER 21 H SER 21 -10.965 -7.741 -2.931 150 HA SER 21 HA SER 21 -10.344 -5.053 -3.820 151 HB2 SER 21 2HB SER 21 -8.435 -7.125 -2.667 152 HB3 SER 21 3HB SER 21 -8.218 -5.358 -2.721 153 HG SER 21 HG SER 21 -9.985 -6.929 -1.171 154 H THR 22 H THR 22 -9.044 -4.368 -5.579 155 HA THR 22 HA THR 22 -7.654 -6.447 -7.200 156 HB THR 22 HB THR 22 -9.472 -4.384 -8.427 157 HG1 THR 22 1HG THR 22 -10.722 -5.962 -7.440 158 HG21 THR 22 1HG2 THR 22 -8.153 -6.814 -9.688 159 HG22 THR 22 2HG2 THR 22 -9.190 -5.635 -10.506 160 HG23 THR 22 3HG2 THR 22 -7.601 -5.135 -9.917 161 H CYS 23 HN CYS 23 -5.750 -5.874 -7.932 162 HA CYS 23 HA CYS 23 -4.598 -3.412 -6.971 163 HB2 CYS 23 2HB CYS 23 -3.394 -5.464 -6.815 164 HB3 CYS 23 3HB CYS 23 -3.694 -5.828 -8.515 165 H LYS 24 H LYS 24 -4.879 -1.603 -7.987 166 HA LYS 24 HA LYS 24 -5.420 -1.251 -10.830 167 HB2 LYS 24 2HB LYS 24 -4.550 0.727 -8.675 168 HB3 LYS 24 3HB LYS 24 -5.317 1.132 -10.213 169 HG2 LYS 24 2HG LYS 24 -6.644 -0.493 -7.980 170 HG3 LYS 24 3HG LYS 24 -6.850 1.221 -8.212 171 HD2 LYS 24 2HD LYS 24 -7.864 0.859 -10.418 172 HD3 LYS 24 3HD LYS 24 -7.630 -0.891 -10.252 173 HE2 LYS 24 2HE LYS 24 -9.195 0.719 -8.202 174 HE3 LYS 24 3HE LYS 24 -9.958 0.117 -9.674 175 HZ1 LYS 24 3HZ LYS 24 -9.459 -2.114 -9.051 176 HZ2 LYS 24 1HZ LYS 24 -8.549 -1.683 -7.760 177 HZ3 LYS 24 2HZ LYS 24 -10.172 -1.419 -7.760 178 H GLY 25 H GLY 25 -2.540 -1.791 -9.073 179 HA2 GLY 25 2HA GLY 25 -0.677 -0.372 -10.819 180 HA3 GLY 25 3HA GLY 25 -0.285 -1.544 -9.561 181 H CYS 26 HN CYS 26 -2.029 -3.637 -10.843 182 HA CYS 26 HA CYS 26 -0.692 -4.023 -13.458 183 HB2 CYS 26 2HB CYS 26 -0.021 -6.268 -13.050 184 HB3 CYS 26 3HB CYS 26 0.691 -5.233 -11.810 185 H MET 27 H MET 27 -3.588 -4.100 -11.818 186 HA MET 27 HA MET 27 -5.653 -4.653 -12.267 187 HB2 MET 27 2HB MET 27 -5.087 -3.414 -14.367 188 HB3 MET 27 3HB MET 27 -4.933 -4.965 -15.185 189 HG2 MET 27 2HG MET 27 -7.130 -3.808 -15.457 190 HG3 MET 27 3HG MET 27 -7.249 -5.461 -14.868 191 HE1 MET 27 3HE MET 27 -7.109 -1.714 -13.770 192 HE2 MET 27 1HE MET 27 -7.889 -1.746 -12.177 193 HE3 MET 27 2HE MET 27 -6.275 -2.462 -12.384 194 H GLU 28 H GLU 28 -4.692 -6.510 -10.925 195 HA GLU 28 HA GLU 28 -6.475 -8.605 -11.789 196 HB2 GLU 28 2HB GLU 28 -5.202 -10.506 -11.598 197 HB3 GLU 28 3HB GLU 28 -4.236 -9.438 -12.614 198 HG2 GLU 28 2HG GLU 28 -2.781 -8.935 -10.669 199 HG3 GLU 28 3HG GLU 28 -3.775 -9.973 -9.649 200 H LYS 29 H LYS 29 -6.925 -10.182 -9.939 201 HA LYS 29 HA LYS 29 -7.746 -8.350 -7.857 202 HB2 LYS 29 2HB LYS 29 -8.370 -11.291 -8.014 203 HB3 LYS 29 3HB LYS 29 -9.153 -10.040 -7.021 204 HG2 LYS 29 2HG LYS 29 -9.850 -8.854 -9.110 205 HG3 LYS 29 3HG LYS 29 -9.232 -10.207 -10.062 206 HD2 LYS 29 2HD LYS 29 -11.443 -10.368 -7.966 207 HD3 LYS 29 3HD LYS 29 -11.676 -10.312 -9.719 208 HE2 LYS 29 2HE LYS 29 -10.363 -12.432 -9.947 209 HE3 LYS 29 3HE LYS 29 -10.218 -12.513 -8.186 210 HZ1 LYS 29 3HZ LYS 29 -12.652 -12.644 -8.061 211 HZ2 LYS 29 1HZ LYS 29 -12.781 -12.577 -9.690 212 HZ3 LYS 29 2HZ LYS 29 -12.071 -13.861 -8.981 213 H ILE 30 H ILE 30 -7.218 -8.191 -5.810 214 HA ILE 30 HA ILE 30 -4.649 -9.308 -4.950 215 HB ILE 30 HB ILE 30 -6.576 -7.315 -3.736 216 HG12 ILE 30 2HG1 ILE 30 -3.728 -6.806 -4.649 217 HG13 ILE 30 3HG1 ILE 30 -5.057 -6.764 -5.798 218 HG21 ILE 30 1HG2 ILE 30 -3.910 -8.299 -2.648 219 HG22 ILE 30 2HG2 ILE 30 -4.735 -6.845 -2.081 220 HG23 ILE 30 3HG2 ILE 30 -5.503 -8.411 -1.848 221 HD11 ILE 30 3HD1 ILE 30 -6.169 -4.986 -4.526 222 HD12 ILE 30 1HD1 ILE 30 -4.835 -4.981 -3.342 223 HD13 ILE 30 2HD1 ILE 30 -4.535 -4.528 -5.025 224 H GLU 31 H GLU 31 -4.304 -10.844 -3.423 225 HA GLU 31 HA GLU 31 -6.441 -12.683 -2.825 226 HB2 GLU 31 2HB GLU 31 -3.686 -12.617 -1.560 227 HB3 GLU 31 3HB GLU 31 -4.814 -13.971 -1.620 228 HG2 GLU 31 2HG GLU 31 -4.577 -13.828 -4.184 229 HG3 GLU 31 3HG GLU 31 -3.226 -12.719 -3.873 230 H LYS 32 H LYS 32 -7.686 -12.896 -1.089 231 HA LYS 32 HA LYS 32 -7.877 -10.991 1.054 232 HB2 LYS 32 2HB LYS 32 -9.732 -12.420 0.242 233 HB3 LYS 32 3HB LYS 32 -8.917 -13.851 0.887 234 HG2 LYS 32 2HG LYS 32 -9.120 -12.898 3.191 235 HG3 LYS 32 3HG LYS 32 -9.939 -11.476 2.510 236 HD2 LYS 32 2HD LYS 32 -11.745 -12.942 1.660 237 HD3 LYS 32 3HD LYS 32 -10.900 -14.359 2.323 238 HE2 LYS 32 2HE LYS 32 -11.081 -13.415 4.605 239 HE3 LYS 32 3HE LYS 32 -11.897 -11.986 3.963 240 HZ1 LYS 32 3HZ LYS 32 -12.956 -14.758 3.801 241 HZ2 LYS 32 1HZ LYS 32 -13.488 -13.604 4.823 242 HZ3 LYS 32 2HZ LYS 32 -13.711 -13.429 3.218 243 H GLY 33 H GLY 33 -7.292 -11.103 3.191 244 HA2 GLY 33 2HA GLY 33 -6.234 -11.769 5.126 245 HA3 GLY 33 3HA GLY 33 -5.970 -13.357 4.409 246 H GLN 34 H GLN 34 -4.559 -10.960 2.464 247 HA GLN 34 HA GLN 34 -2.000 -10.849 3.964 248 HB2 GLN 34 2HB GLN 34 -0.683 -11.184 1.963 249 HB3 GLN 34 3HB GLN 34 -1.692 -12.573 2.313 250 HG2 GLN 34 2HG GLN 34 -1.750 -12.329 -0.043 251 HG3 GLN 34 3HG GLN 34 -3.311 -11.774 0.529 252 HE21 GLN 34 1HE2 GLN 34 -3.934 -9.630 -0.082 253 HE22 GLN 34 2HE2 GLN 34 -2.736 -8.431 -0.600 254 H VAL 35 H VAL 35 -0.561 -8.983 2.880 255 HA VAL 35 HA VAL 35 -2.081 -6.653 3.541 256 HB VAL 35 HB VAL 35 0.698 -6.859 2.342 257 HG11 VAL 35 1HG1 VAL 35 -0.136 -4.576 2.015 258 HG12 VAL 35 2HG1 VAL 35 -0.686 -4.503 3.707 259 HG13 VAL 35 3HG1 VAL 35 1.045 -4.591 3.316 260 HG21 VAL 35 3HG2 VAL 35 -0.228 -6.513 5.227 261 HG22 VAL 35 1HG2 VAL 35 0.532 -7.968 4.536 262 HG23 VAL 35 2HG2 VAL 35 1.452 -6.473 4.663 263 H ARG 36 H ARG 36 -3.051 -5.100 2.435 264 HA ARG 36 HA ARG 36 -2.558 -4.752 -0.478 265 HB2 ARG 36 2HB ARG 36 -4.836 -4.002 -0.824 266 HB3 ARG 36 3HB ARG 36 -4.793 -5.674 -0.273 267 HG2 ARG 36 2HG ARG 36 -5.533 -5.051 1.956 268 HG3 ARG 36 3HG ARG 36 -5.440 -3.337 1.557 269 HD2 ARG 36 2HD ARG 36 -7.174 -3.701 -0.230 270 HD3 ARG 36 3HD ARG 36 -7.340 -5.371 0.316 271 HE ARG 36 HE ARG 36 -7.664 -3.625 2.567 272 HH11 ARG 36 1HH2 ARG 36 -9.548 -4.499 -0.291 273 HH12 ARG 36 2HH2 ARG 36 -10.952 -3.688 0.332 274 HH21 ARG 36 1HH1 ARG 36 -9.523 -2.823 3.331 275 HH22 ARG 36 2HH1 ARG 36 -10.965 -2.819 2.334 276 H LEU 37 H LEU 37 -2.032 -2.709 -1.085 277 HA LEU 37 HA LEU 37 -2.114 -0.563 0.988 278 HB2 LEU 37 2HB LEU 37 -0.285 -0.571 -1.425 279 HB3 LEU 37 3HB LEU 37 -0.307 0.510 -0.013 280 HG LEU 37 HG LEU 37 1.597 -0.674 0.235 281 HD11 LEU 37 1HD1 LEU 37 1.387 -1.850 2.295 282 HD12 LEU 37 2HD1 LEU 37 0.214 -0.518 2.222 283 HD13 LEU 37 3HD1 LEU 37 -0.336 -2.185 2.004 284 HD21 LEU 37 3HD2 LEU 37 0.186 -3.361 -0.119 285 HD22 LEU 37 1HD2 LEU 37 1.132 -2.542 -1.376 286 HD23 LEU 37 2HD2 LEU 37 1.911 -3.057 0.133 287 H SER 38 H SER 38 -2.697 1.607 0.220 288 HA SER 38 HA SER 38 -3.632 1.784 -2.551 289 HB2 SER 38 2HB SER 38 -5.802 2.806 -1.967 290 HB3 SER 38 3HB SER 38 -5.683 1.132 -1.439 291 HG SER 38 HG SER 38 -6.521 2.313 0.248 292 H LYS 39 H LYS 39 -4.022 3.897 -3.342 293 HA LYS 39 HA LYS 39 -2.847 6.132 -1.713 294 HB2 LYS 39 2HB LYS 39 -1.469 5.691 -3.664 295 HB3 LYS 39 3HB LYS 39 -2.879 5.802 -4.735 296 HG2 LYS 39 2HG LYS 39 -3.177 8.171 -4.169 297 HG3 LYS 39 3HG LYS 39 -1.861 8.082 -2.978 298 HD2 LYS 39 2HD LYS 39 -0.251 7.622 -4.754 299 HD3 LYS 39 3HD LYS 39 -1.549 7.629 -5.973 300 HE2 LYS 39 2HE LYS 39 -2.084 10.005 -5.212 301 HE3 LYS 39 3HE LYS 39 -0.605 9.945 -4.226 302 HZ1 LYS 39 3HZ LYS 39 0.698 9.731 -6.173 303 HZ2 LYS 39 1HZ LYS 39 -0.610 9.578 -7.171 304 HZ3 LYS 39 2HZ LYS 39 -0.293 10.996 -6.424 305 H LYS 40 H LYS 40 -4.087 7.831 -1.272 306 HA LYS 40 HA LYS 40 -6.879 7.930 -2.294 307 HB2 LYS 40 2HB LYS 40 -6.777 7.949 0.033 308 HB3 LYS 40 3HB LYS 40 -5.502 9.133 0.103 309 HG2 LYS 40 3HG LYS 40 -8.283 9.757 -1.047 310 HG3 LYS 40 2HG LYS 40 -7.941 9.822 0.676 311 HD2 LYS 40 2HD LYS 40 -6.898 11.641 -1.486 312 HD3 LYS 40 3HD LYS 40 -7.805 12.045 -0.030 313 HE2 LYS 40 2HE LYS 40 -5.806 11.437 1.359 314 HE3 LYS 40 3HE LYS 40 -4.932 11.046 -0.130 315 HZ1 LYS 40 3HZ LYS 40 -4.278 13.181 0.439 316 HZ2 LYS 40 1HZ LYS 40 -5.279 13.393 -0.810 317 HZ3 LYS 40 2HZ LYS 40 -5.813 13.732 0.711 318 H MET 41 H MET 41 -7.134 9.008 -4.116 319 HA MET 41 HA MET 41 -6.124 11.738 -4.426 320 HB2 MET 41 2HB MET 41 -4.970 11.340 -6.557 321 HB3 MET 41 3HB MET 41 -4.157 10.563 -5.202 322 HG2 MET 41 2HG MET 41 -5.133 8.386 -5.837 323 HG3 MET 41 3HG MET 41 -5.996 9.150 -7.176 324 HE1 MET 41 3HE MET 41 -3.347 6.902 -8.908 325 HE2 MET 41 1HE MET 41 -4.098 6.588 -7.326 326 HE3 MET 41 2HE MET 41 -5.077 7.259 -8.658 327 H VAL 42 H VAL 42 -7.374 12.970 -5.926 328 HA VAL 42 HA VAL 42 -9.732 11.998 -7.067 329 HB VAL 42 HB VAL 42 -7.899 14.158 -8.197 330 HG11 VAL 42 1HG1 VAL 42 -10.861 13.616 -8.679 331 HG12 VAL 42 2HG1 VAL 42 -9.988 15.070 -9.212 332 HG13 VAL 42 3HG1 VAL 42 -9.547 13.501 -9.880 333 HG21 VAL 42 3HG2 VAL 42 -10.252 14.393 -6.277 334 HG22 VAL 42 1HG2 VAL 42 -8.544 14.713 -5.900 335 HG23 VAL 42 2HG2 VAL 42 -9.400 15.752 -7.035 336 H ASP 43 H ASP 43 -10.200 10.684 -8.753 337 HA ASP 43 HA ASP 43 -8.084 9.233 -10.053 338 HB2 ASP 43 2HB ASP 43 -10.304 8.289 -9.471 339 HB3 ASP 43 3HB ASP 43 -11.049 9.313 -10.695 340 HA PRO 44 HA PRO 44 -7.438 12.253 -13.220 341 HB2 PRO 44 2HB PRO 44 -5.642 10.937 -14.844 342 HB3 PRO 44 3HB PRO 44 -5.238 11.526 -13.203 343 HG2 PRO 44 2HG PRO 44 -6.133 8.728 -13.998 344 HG3 PRO 44 3HG PRO 44 -4.708 9.192 -13.004 345 HD2 PRO 44 2HD PRO 44 -7.025 8.426 -11.868 346 HD3 PRO 44 3HD PRO 44 -6.066 9.767 -11.168 347 H GLU 45 H GLU 45 -8.996 9.231 -13.949 348 HA GLU 45 HA GLU 45 -9.786 10.166 -16.687 349 HB2 GLU 45 2HB GLU 45 -10.034 7.433 -15.375 350 HB3 GLU 45 3HB GLU 45 -10.590 7.858 -16.996 351 HG2 GLU 45 2HG GLU 45 -8.255 8.430 -17.647 352 HG3 GLU 45 3HG GLU 45 -7.691 7.932 -16.049 353 H LYS 46 H LYS 46 -10.839 10.144 -13.490 354 HA LYS 46 HA LYS 46 -13.685 10.668 -14.186 355 HB2 LYS 46 2HB LYS 46 -12.733 8.688 -12.090 356 HB3 LYS 46 3HB LYS 46 -14.404 9.209 -12.318 357 HG2 LYS 46 2HG LYS 46 -14.520 8.175 -14.496 358 HG3 LYS 46 3HG LYS 46 -12.823 7.680 -14.421 359 HD2 LYS 46 2HD LYS 46 -14.945 6.893 -12.390 360 HD3 LYS 46 3HD LYS 46 -14.491 5.883 -13.774 361 HE2 LYS 46 2HE LYS 46 -12.771 6.638 -11.373 362 HE3 LYS 46 3HE LYS 46 -13.384 5.041 -11.801 363 HZ1 LYS 46 3HZ LYS 46 -11.259 6.585 -13.193 364 HZ2 LYS 46 1HZ LYS 46 -11.104 5.166 -12.436 365 HZ3 LYS 46 2HZ LYS 46 -11.938 5.220 -13.845 366 HA PRO 47 HA PRO 47 -11.663 13.451 -10.933 367 HB2 PRO 47 2HB PRO 47 -12.056 15.894 -12.162 368 HB3 PRO 47 3HB PRO 47 -10.607 14.861 -12.382 369 HG2 PRO 47 2HG PRO 47 -13.067 15.006 -14.157 370 HG3 PRO 47 3HG PRO 47 -11.336 15.073 -14.642 371 HD2 PRO 47 2HD PRO 47 -12.728 12.774 -14.796 372 HD3 PRO 47 3HD PRO 47 -11.029 12.779 -14.228 373 H GLN 48 H GLN 48 -14.721 13.344 -12.606 374 HA GLN 48 HA GLN 48 -16.350 14.967 -10.965 375 HB2 GLN 48 2HB GLN 48 -18.194 13.620 -11.801 376 HB3 GLN 48 3HB GLN 48 -17.071 14.044 -13.096 377 HG2 GLN 48 2HG GLN 48 -16.098 11.734 -12.976 378 HG3 GLN 48 3HG GLN 48 -17.249 11.329 -11.701 379 HE21 GLN 48 2HE2 GLN 48 -17.506 9.588 -13.601 380 HE22 GLN 48 1HE2 GLN 48 -18.813 9.973 -14.709 381 H LEU 49 H LEU 49 -14.993 11.735 -10.226 382 HA LEU 49 HA LEU 49 -16.691 11.115 -7.994 383 HB2 LEU 49 2HB LEU 49 -13.761 10.535 -8.622 384 HB3 LEU 49 3HB LEU 49 -14.640 9.768 -7.310 385 HG LEU 49 HG LEU 49 -15.394 9.482 -10.248 386 HD11 LEU 49 1HD1 LEU 49 -13.836 7.724 -8.318 387 HD12 LEU 49 2HD1 LEU 49 -14.370 7.226 -9.941 388 HD13 LEU 49 3HD1 LEU 49 -13.191 8.552 -9.735 389 HD21 LEU 49 3HD2 LEU 49 -16.723 7.559 -9.358 390 HD22 LEU 49 1HD2 LEU 49 -16.324 8.089 -7.702 391 HD23 LEU 49 2HD2 LEU 49 -17.302 9.125 -8.769 392 H GLY 50 H GLY 50 -13.987 13.371 -8.248 393 HA2 GLY 50 2HA GLY 50 -12.629 14.372 -6.645 394 HA3 GLY 50 3HA GLY 50 -13.726 13.844 -5.364 395 H MET 51 H MET 51 -12.073 13.011 -4.120 396 HA MET 51 HA MET 51 -9.954 11.394 -5.025 397 HB2 MET 51 2HB MET 51 -10.661 11.706 -2.114 398 HB3 MET 51 3HB MET 51 -9.084 11.568 -2.889 399 HG2 MET 51 2HG MET 51 -9.781 13.895 -3.990 400 HG3 MET 51 3HG MET 51 -10.928 13.950 -2.656 401 HE1 MET 51 3HE MET 51 -7.297 13.058 -3.467 402 HE2 MET 51 1HE MET 51 -7.459 14.768 -3.909 403 HE3 MET 51 2HE MET 51 -6.365 14.306 -2.590 404 H ILE 52 H ILE 52 -9.640 9.253 -5.026 405 HA ILE 52 HA ILE 52 -11.459 7.505 -3.478 406 HB ILE 52 HB ILE 52 -11.379 5.866 -5.426 407 HG12 ILE 52 2HG1 ILE 52 -11.302 6.784 -7.694 408 HG13 ILE 52 3HG1 ILE 52 -10.754 8.349 -7.097 409 HG21 ILE 52 1HG2 ILE 52 -13.341 7.200 -4.679 410 HG22 ILE 52 2HG2 ILE 52 -12.922 8.423 -5.913 411 HG23 ILE 52 3HG2 ILE 52 -13.349 6.752 -6.387 412 HD11 ILE 52 3HD1 ILE 52 -9.215 5.770 -6.645 413 HD12 ILE 52 1HD1 ILE 52 -8.980 6.808 -8.076 414 HD13 ILE 52 2HD1 ILE 52 -8.611 7.433 -6.470 415 H ASP 53 H ASP 53 -10.658 5.271 -3.314 416 HA ASP 53 HA ASP 53 -7.806 5.325 -2.506 417 HB2 ASP 53 2HB ASP 53 -10.091 3.483 -1.710 418 HB3 ASP 53 3HB ASP 53 -8.425 3.346 -1.150 419 H ARG 54 H ARG 54 -6.804 4.937 -4.407 420 HA ARG 54 HA ARG 54 -7.432 2.752 -6.271 421 HB2 ARG 54 2HB ARG 54 -5.983 5.166 -6.350 422 HB3 ARG 54 3HB ARG 54 -4.709 3.975 -6.316 423 HG2 ARG 54 2HG ARG 54 -5.228 4.714 -8.552 424 HG3 ARG 54 3HG ARG 54 -5.487 2.985 -8.385 425 HD2 ARG 54 2HD ARG 54 -7.831 3.200 -8.607 426 HD3 ARG 54 3HD ARG 54 -7.821 4.798 -7.899 427 HE ARG 54 HE ARG 54 -8.154 5.496 -10.042 428 HH11 ARG 54 1HH2 ARG 54 -5.527 3.172 -10.418 429 HH12 ARG 54 2HH2 ARG 54 -5.453 3.492 -12.129 430 HH21 ARG 54 1HH1 ARG 54 -7.992 5.814 -12.040 431 HH22 ARG 54 2HH1 ARG 54 -6.819 4.978 -13.056 432 H TRP 55 H TRP 55 -7.138 0.636 -5.522 433 HA TRP 55 HA TRP 55 -5.151 0.054 -3.460 434 HB2 TRP 55 2HB TRP 55 -7.100 -1.755 -4.892 435 HB3 TRP 55 3HB TRP 55 -6.002 -2.279 -3.629 436 HD1 TRP 55 HD1 TRP 55 -9.339 -0.758 -4.136 437 HE1 TRP 55 HE1 TRP 55 -10.455 -0.179 -1.909 438 HE3 TRP 55 HE3 TRP 55 -5.357 -1.523 -0.972 439 HZ2 TRP 55 HZ2 TRP 55 -9.708 0.053 0.862 440 HZ3 TRP 55 HZ3 TRP 55 -5.576 -1.017 1.441 441 HH2 TRP 55 HH2 TRP 55 -7.742 -0.249 2.376 442 H TYR 56 H TYR 56 -3.523 -1.513 -3.543 443 HA TYR 56 HA TYR 56 -2.377 -2.419 -6.116 444 HB2 TYR 56 2HB TYR 56 -0.944 -0.768 -3.985 445 HB3 TYR 56 3HB TYR 56 -0.188 -1.486 -5.403 446 HD1 TYR 56 HD1 TYR 56 -0.952 -0.755 -7.693 447 HD2 TYR 56 HD2 TYR 56 -1.953 1.416 -4.129 448 HE1 TYR 56 HE1 TYR 56 -1.580 1.235 -9.091 449 HE2 TYR 56 HE2 TYR 56 -2.611 3.386 -5.514 450 HH TYR 56 HH TYR 56 -2.387 3.365 -9.087 451 H HIS 57 H HIS 57 -0.906 -4.099 -5.918 452 HA HIS 57 HA HIS 57 -0.963 -5.877 -3.600 453 HB2 HIS 57 2HB HIS 57 0.782 -5.869 -6.070 454 HB3 HIS 57 3HB HIS 57 0.951 -7.052 -4.805 455 HD2 HIS 57 HD2 HIS 57 -1.406 -8.505 -4.196 456 HE1 HIS 57 HE1 HIS 57 -2.738 -8.465 -8.228 457 HE2 HIS 57 HE2 HIS 57 -2.961 -9.631 -6.010 458 HA PRO 58 HA PRO 58 2.749 -4.374 -1.423 459 HB2 PRO 58 2HB PRO 58 3.466 -7.296 -1.242 460 HB3 PRO 58 3HB PRO 58 3.479 -6.045 0.044 461 HG2 PRO 58 2HG PRO 58 1.432 -7.796 -0.070 462 HG3 PRO 58 3HG PRO 58 1.083 -6.045 0.160 463 HD2 PRO 58 2HD PRO 58 1.011 -7.638 -2.425 464 HD3 PRO 58 3HD PRO 58 -0.229 -6.544 -1.743 465 H GLY 59 H GLY 59 3.092 -6.517 -4.213 466 HA2 GLY 59 2HA GLY 59 5.932 -5.803 -4.648 467 HA3 GLY 59 3HA GLY 59 4.882 -6.718 -5.730 468 H CYS 60 HN CYS 60 2.763 -5.043 -6.194 469 HA CYS 60 HA CYS 60 3.861 -3.415 -8.186 470 HB2 CYS 60 2HB CYS 60 1.009 -3.482 -7.140 471 HB3 CYS 60 3HB CYS 60 1.530 -2.945 -8.745 472 H PHE 61 H PHE 61 2.424 -2.450 -5.023 473 HA PHE 61 HA PHE 61 2.329 0.327 -5.646 474 HB2 PHE 61 2HB PHE 61 1.629 0.643 -3.560 475 HB3 PHE 61 3HB PHE 61 1.448 -1.100 -3.556 476 HD1 PHE 61 HD1 PHE 61 3.391 -2.504 -2.648 477 HD2 PHE 61 HD2 PHE 61 3.108 1.740 -2.088 478 HE1 PHE 61 HE1 PHE 61 4.939 -2.673 -0.689 479 HE2 PHE 61 HE2 PHE 61 4.650 1.591 -0.120 480 HZ PHE 61 HZ PHE 61 5.547 -0.622 0.583 481 H VAL 62 H VAL 62 5.052 -1.667 -4.560 482 HA VAL 62 HA VAL 62 7.014 0.433 -4.351 483 HB VAL 62 HB VAL 62 7.578 -2.415 -5.216 484 HG11 VAL 62 1HG1 VAL 62 9.494 -0.873 -5.381 485 HG12 VAL 62 2HG1 VAL 62 9.249 -0.375 -3.690 486 HG13 VAL 62 3HG1 VAL 62 9.728 -2.038 -4.076 487 HG21 VAL 62 3HG2 VAL 62 7.259 -1.358 -2.380 488 HG22 VAL 62 1HG2 VAL 62 6.222 -2.551 -3.185 489 HG23 VAL 62 2HG2 VAL 62 7.893 -2.952 -2.851 490 H LYS 63 H LYS 63 6.008 -1.633 -7.095 491 HA LYS 63 HA LYS 63 7.895 -0.702 -8.995 492 HB2 LYS 63 2HB LYS 63 6.557 -2.737 -9.288 493 HB3 LYS 63 3HB LYS 63 5.069 -1.794 -9.334 494 HG2 LYS 63 2HG LYS 63 5.767 -0.733 -11.458 495 HG3 LYS 63 3HG LYS 63 7.271 -1.660 -11.412 496 HD2 LYS 63 2HD LYS 63 5.673 -2.713 -12.925 497 HD3 LYS 63 3HD LYS 63 6.010 -3.763 -11.557 498 HE2 LYS 63 2HE LYS 63 3.663 -3.870 -12.112 499 HE3 LYS 63 3HE LYS 63 3.844 -3.158 -10.513 500 HZ1 LYS 63 3HZ LYS 63 3.314 -1.010 -11.401 501 HZ2 LYS 63 1HZ LYS 63 3.482 -1.514 -12.962 502 HZ3 LYS 63 2HZ LYS 63 2.226 -2.024 -12.057 503 H ASN 64 H ASN 64 4.757 0.686 -8.072 504 HA ASN 64 HA ASN 64 5.282 3.020 -9.844 505 HB2 ASN 64 2HB ASN 64 2.660 3.311 -9.007 506 HB3 ASN 64 3HB ASN 64 3.257 2.834 -10.571 507 HD21 ASN 64 1HD2 ASN 64 1.720 1.668 -7.606 508 HD22 ASN 64 2HD2 ASN 64 1.293 0.127 -8.337 509 H ARG 65 H ARG 65 6.262 2.416 -6.828 510 HA ARG 65 HA ARG 65 5.091 4.247 -5.136 511 HB2 ARG 65 2HB ARG 65 7.046 4.070 -3.772 512 HB3 ARG 65 3HB ARG 65 6.927 2.554 -4.642 513 HG2 ARG 65 2HG ARG 65 8.463 3.739 -6.396 514 HG3 ARG 65 3HG ARG 65 8.834 4.867 -5.099 515 HD2 ARG 65 2HD ARG 65 9.809 3.083 -3.769 516 HD3 ARG 65 3HD ARG 65 9.289 1.855 -4.931 517 HE ARG 65 HE ARG 65 11.623 3.552 -5.123 518 HH11 ARG 65 1HH2 ARG 65 9.372 1.810 -7.220 519 HH12 ARG 65 2HH2 ARG 65 10.246 2.326 -8.654 520 HH21 ARG 65 1HH1 ARG 65 12.624 4.123 -7.048 521 HH22 ARG 65 2HH1 ARG 65 11.805 3.741 -8.545 522 H GLU 66 H GLU 66 7.423 4.965 -7.624 523 HA GLU 66 HA GLU 66 7.846 7.736 -6.916 524 HB2 GLU 66 2HB GLU 66 9.252 7.754 -8.929 525 HB3 GLU 66 3HB GLU 66 9.613 6.413 -7.837 526 HG2 GLU 66 2HG GLU 66 8.280 4.880 -9.323 527 HG3 GLU 66 3HG GLU 66 8.059 6.220 -10.450 528 H GLU 67 H GLU 67 5.488 6.085 -8.837 529 HA GLU 67 HA GLU 67 4.395 8.544 -10.049 530 HB2 GLU 67 2HB GLU 67 4.392 6.318 -11.245 531 HB3 GLU 67 3HB GLU 67 3.275 5.723 -10.019 532 HG2 GLU 67 2HG GLU 67 1.983 6.325 -11.912 533 HG3 GLU 67 3HG GLU 67 1.649 7.521 -10.672 534 H LEU 68 H LEU 68 3.687 6.188 -7.422 535 HA LEU 68 HA LEU 68 1.318 7.484 -6.469 536 HB2 LEU 68 2HB LEU 68 3.289 5.714 -4.982 537 HB3 LEU 68 3HB LEU 68 1.691 6.156 -4.407 538 HG LEU 68 HG LEU 68 2.315 4.432 -6.835 539 HD11 LEU 68 1HD1 LEU 68 2.622 3.295 -4.687 540 HD12 LEU 68 2HD1 LEU 68 0.990 3.789 -4.179 541 HD13 LEU 68 3HD1 LEU 68 1.197 2.666 -5.535 542 HD21 LEU 68 3HD2 LEU 68 -0.046 4.035 -7.065 543 HD22 LEU 68 1HD2 LEU 68 -0.416 5.187 -5.768 544 HD23 LEU 68 2HD2 LEU 68 0.289 5.739 -7.311 545 H GLY 69 H GLY 69 4.704 8.156 -5.840 546 HA2 GLY 69 2HA GLY 69 5.240 10.519 -5.567 547 HA3 GLY 69 3HA GLY 69 3.888 10.694 -4.451 548 H PHE 70 H PHE 70 5.852 7.840 -4.013 549 HA PHE 70 HA PHE 70 6.575 8.560 -1.331 550 HB2 PHE 70 2HB PHE 70 7.327 6.305 -3.206 551 HB3 PHE 70 3HB PHE 70 8.111 6.481 -1.655 552 HD1 PHE 70 HD1 PHE 70 6.947 6.195 0.455 553 HD2 PHE 70 HD2 PHE 70 4.910 5.613 -3.290 554 HE1 PHE 70 HE1 PHE 70 5.201 4.868 1.612 555 HE2 PHE 70 HE2 PHE 70 3.167 4.276 -2.139 556 HZ PHE 70 HZ PHE 70 3.338 3.868 0.306 557 H ARG 71 H ARG 71 8.331 9.315 -0.436 558 HA ARG 71 HA ARG 71 10.964 9.378 -1.775 559 HB2 ARG 71 2HB ARG 71 9.670 11.701 -0.278 560 HB3 ARG 71 3HB ARG 71 11.390 11.609 -0.623 561 HG2 ARG 71 2HG ARG 71 11.054 11.764 -2.993 562 HG3 ARG 71 3HG ARG 71 9.305 11.540 -2.837 563 HD2 ARG 71 2HD ARG 71 9.828 13.905 -3.224 564 HD3 ARG 71 3HD ARG 71 9.037 13.618 -1.676 565 HE ARG 71 HE ARG 71 10.912 14.347 -0.520 566 HH11 ARG 71 1HH2 ARG 71 11.954 14.026 -3.869 567 HH12 ARG 71 2HH2 ARG 71 13.470 14.814 -3.519 568 HH21 ARG 71 1HH1 ARG 71 12.693 15.247 -0.167 569 HH22 ARG 71 2HH1 ARG 71 13.911 15.523 -1.420 570 HA PRO 72 HA PRO 72 12.321 7.535 1.989 571 HB2 PRO 72 2HB PRO 72 14.523 9.602 2.127 572 HB3 PRO 72 3HB PRO 72 14.636 7.822 2.305 573 HG2 PRO 72 2HG PRO 72 15.326 8.975 -0.035 574 HG3 PRO 72 3HG PRO 72 14.303 7.499 -0.050 575 HD2 PRO 72 2HD PRO 72 13.429 10.393 -0.328 576 HD3 PRO 72 3HD PRO 72 12.950 8.968 -1.295 577 H GLU 73 H GLU 73 11.947 11.064 2.169 578 HA GLU 73 HA GLU 73 11.912 11.223 5.050 579 HB2 GLU 73 2HB GLU 73 11.148 13.487 4.721 580 HB3 GLU 73 3HB GLU 73 12.426 13.118 3.564 581 HG2 GLU 73 2HG GLU 73 10.599 12.661 1.836 582 HG3 GLU 73 3HG GLU 73 9.433 13.284 3.004 583 H TYR 74 H TYR 74 9.584 9.966 2.879 584 HA TYR 74 HA TYR 74 7.787 9.428 5.083 585 HB2 TYR 74 2HB TYR 74 5.739 10.203 3.813 586 HB3 TYR 74 3HB TYR 74 6.730 11.373 4.640 587 HD1 TYR 74 HD1 TYR 74 7.276 10.024 1.149 588 HD2 TYR 74 HD2 TYR 74 6.210 13.372 3.650 589 HE1 TYR 74 HE1 TYR 74 7.221 11.501 -0.845 590 HE2 TYR 74 HE2 TYR 74 6.139 14.842 1.643 591 HH TYR 74 HH TYR 74 6.688 13.576 -1.660 592 H SER 75 H SER 75 9.257 7.584 4.241 593 HA SER 75 HA SER 75 8.324 5.886 2.135 594 HB2 SER 75 2HB SER 75 10.055 5.572 4.592 595 HB3 SER 75 3HB SER 75 9.618 4.168 3.614 596 HG SER 75 HG SER 75 10.995 4.752 2.209 597 H ALA 76 H ALA 76 7.798 3.504 2.895 598 HA ALA 76 HA ALA 76 5.111 3.286 3.311 599 HB1 ALA 76 1HB ALA 76 6.626 1.545 2.414 600 HB2 ALA 76 2HB ALA 76 7.260 1.256 4.056 601 HB3 ALA 76 3HB ALA 76 5.558 0.910 3.677 602 H SER 77 H SER 77 7.345 3.715 6.019 603 HA SER 77 HA SER 77 5.693 2.754 8.116 604 HB2 SER 77 2HB SER 77 7.536 5.173 8.160 605 HB3 SER 77 3HB SER 77 7.028 4.199 9.552 606 HG SER 77 HG SER 77 9.151 3.725 8.752 607 H GLN 78 H GLN 78 5.375 5.550 6.054 608 HA GLN 78 HA GLN 78 3.387 6.794 7.793 609 HB2 GLN 78 2HB GLN 78 4.760 7.940 5.346 610 HB3 GLN 78 3HB GLN 78 3.716 8.783 6.494 611 HG2 GLN 78 2HG GLN 78 5.418 8.048 8.323 612 HG3 GLN 78 3HG GLN 78 6.489 7.640 6.988 613 HE21 GLN 78 2HE2 GLN 78 7.915 9.206 8.087 614 HE22 GLN 78 1HE2 GLN 78 7.746 10.896 7.585 615 H LEU 79 H LEU 79 2.852 4.338 6.179 616 HA LEU 79 HA LEU 79 0.515 5.237 4.574 617 HB2 LEU 79 2HB LEU 79 1.660 2.517 5.332 618 HB3 LEU 79 3HB LEU 79 0.133 2.706 4.495 619 HG LEU 79 HG LEU 79 2.625 3.873 3.242 620 HD11 LEU 79 1HD1 LEU 79 3.159 1.834 2.097 621 HD12 LEU 79 2HD1 LEU 79 3.208 1.494 3.835 622 HD13 LEU 79 3HD1 LEU 79 1.830 0.964 2.873 623 HD21 LEU 79 3HD2 LEU 79 1.419 3.490 1.206 624 HD22 LEU 79 1HD2 LEU 79 0.248 2.445 2.016 625 HD23 LEU 79 2HD2 LEU 79 0.280 4.176 2.366 626 H LYS 80 H LYS 80 -1.540 5.280 5.368 627 HA LYS 80 HA LYS 80 -2.141 5.273 8.130 628 HB2 LYS 80 2HB LYS 80 -4.096 4.572 5.891 629 HB3 LYS 80 3HB LYS 80 -4.516 5.051 7.534 630 HG2 LYS 80 2HG LYS 80 -3.333 7.225 7.134 631 HG3 LYS 80 3HG LYS 80 -3.158 6.761 5.429 632 HD2 LYS 80 2HD LYS 80 -5.778 7.130 6.961 633 HD3 LYS 80 3HD LYS 80 -5.062 8.307 5.854 634 HE2 LYS 80 2HE LYS 80 -5.273 6.691 3.983 635 HE3 LYS 80 3HE LYS 80 -6.004 5.510 5.083 636 HZ1 LYS 80 3HZ LYS 80 -7.166 8.172 4.445 637 HZ2 LYS 80 1HZ LYS 80 -7.697 6.744 3.855 638 HZ3 LYS 80 2HZ LYS 80 -7.834 7.068 5.448 639 H GLY 81 H GLY 81 -2.490 3.728 9.618 640 HA2 GLY 81 2HA GLY 81 -2.997 1.687 10.586 641 HA3 GLY 81 3HA GLY 81 -3.600 1.123 9.028 642 H PHE 82 H PHE 82 -0.340 2.115 8.612 643 HA PHE 82 HA PHE 82 0.691 -0.480 8.101 644 HB2 PHE 82 2HB PHE 82 1.788 1.375 7.154 645 HB3 PHE 82 3HB PHE 82 1.866 2.251 8.674 646 HD1 PHE 82 HD2 PHE 82 3.524 1.756 10.386 647 HD2 PHE 82 HD1 PHE 82 3.604 -0.167 6.527 648 HE1 PHE 82 HE2 PHE 82 5.866 1.026 10.800 649 HE2 PHE 82 HE1 PHE 82 5.963 -0.822 6.918 650 HZ PHE 82 HZ PHE 82 7.077 -0.272 9.057 651 H SER 83 H SER 83 0.845 1.560 11.021 652 HA SER 83 HA SER 83 2.635 0.003 12.543 653 HB2 SER 83 2HB SER 83 1.741 1.346 14.441 654 HB3 SER 83 3HB SER 83 2.109 2.329 13.005 655 HG SER 83 HG SER 83 0.058 2.845 13.929 656 H LEU 84 H LEU 84 -0.723 -0.544 11.899 657 HA LEU 84 HA LEU 84 -1.179 -2.342 14.190 658 HB2 LEU 84 2HB LEU 84 -3.002 -1.517 11.898 659 HB3 LEU 84 3HB LEU 84 -3.485 -2.379 13.354 660 HG LEU 84 HG LEU 84 -2.475 0.498 13.235 661 HD11 LEU 84 1HD1 LEU 84 -4.742 0.170 12.326 662 HD12 LEU 84 2HD1 LEU 84 -5.232 -0.647 13.828 663 HD13 LEU 84 3HD1 LEU 84 -4.773 1.072 13.850 664 HD21 LEU 84 3HD2 LEU 84 -1.827 -0.501 15.383 665 HD22 LEU 84 1HD2 LEU 84 -3.175 0.614 15.617 666 HD23 LEU 84 2HD2 LEU 84 -3.474 -1.139 15.609 667 H LEU 85 H LEU 85 0.151 -2.737 11.100 668 HA LEU 85 HA LEU 85 -0.833 -5.463 10.589 669 HB2 LEU 85 2HB LEU 85 1.522 -3.916 9.460 670 HB3 LEU 85 3HB LEU 85 0.973 -5.477 8.873 671 HG LEU 85 HG LEU 85 -0.741 -2.956 8.793 672 HD11 LEU 85 1HD1 LEU 85 1.291 -2.737 7.380 673 HD12 LEU 85 2HD1 LEU 85 0.904 -4.281 6.592 674 HD13 LEU 85 3HD1 LEU 85 -0.179 -2.885 6.400 675 HD21 LEU 85 3HD2 LEU 85 -2.089 -4.974 8.711 676 HD22 LEU 85 1HD2 LEU 85 -2.055 -4.179 7.134 677 HD23 LEU 85 2HD2 LEU 85 -1.068 -5.625 7.405 678 H ALA 86 H ALA 86 0.886 -7.258 10.426 679 HA ALA 86 HA ALA 86 2.185 -7.670 12.973 680 HB1 ALA 86 1HB ALA 86 2.493 -9.165 10.334 681 HB2 ALA 86 2HB ALA 86 2.967 -9.752 11.942 682 HB3 ALA 86 3HB ALA 86 1.251 -9.498 11.561 683 H THR 87 H THR 87 4.406 -7.702 13.467 684 HA THR 87 HA THR 87 6.035 -5.668 12.491 685 HB THR 87 HB THR 87 7.067 -8.245 13.696 686 HG1 THR 87 1HG THR 87 6.570 -7.310 15.681 687 HG21 THR 87 1HG2 THR 87 8.824 -6.598 13.071 688 HG22 THR 87 2HG2 THR 87 7.974 -5.338 13.993 689 HG23 THR 87 3HG2 THR 87 8.688 -6.739 14.825 690 H GLU 88 H GLU 88 5.996 -9.090 11.434 691 HA GLU 88 HA GLU 88 8.275 -8.910 9.714 692 HB2 GLU 88 2HB GLU 88 7.528 -11.006 8.780 693 HB3 GLU 88 3HB GLU 88 7.399 -11.024 10.537 694 HG2 GLU 88 2HG GLU 88 4.929 -10.573 10.321 695 HG3 GLU 88 3HG GLU 88 5.095 -10.675 8.566 696 H ASP 89 H ASP 89 4.890 -7.973 9.136 697 HA ASP 89 HA ASP 89 5.370 -7.517 6.255 698 HB2 ASP 89 2HB ASP 89 3.021 -6.896 8.078 699 HB3 ASP 89 3HB ASP 89 3.096 -6.453 6.376 700 H LYS 90 H LYS 90 5.095 -5.561 9.238 701 HA LYS 90 HA LYS 90 5.411 -2.974 8.073 702 HB2 LYS 90 2HB LYS 90 6.171 -4.105 10.798 703 HB3 LYS 90 3HB LYS 90 6.328 -2.391 10.397 704 HG2 LYS 90 2HG LYS 90 4.003 -2.118 10.046 705 HG3 LYS 90 3HG LYS 90 3.701 -3.855 10.024 706 HD2 LYS 90 2HD LYS 90 2.889 -2.905 12.086 707 HD3 LYS 90 3HD LYS 90 4.199 -4.048 12.401 708 HE2 LYS 90 2HE LYS 90 5.776 -2.162 12.704 709 HE3 LYS 90 3HE LYS 90 4.485 -1.014 12.323 710 HZ1 LYS 90 3HZ LYS 90 4.465 -2.883 14.636 711 HZ2 LYS 90 1HZ LYS 90 4.819 -1.293 14.732 712 HZ3 LYS 90 2HZ LYS 90 3.294 -1.790 14.310 713 H GLU 91 H GLU 91 7.915 -5.233 9.256 714 HA GLU 91 HA GLU 91 10.140 -3.576 8.430 715 HB2 GLU 91 2HB GLU 91 9.912 -6.549 9.039 716 HB3 GLU 91 3HB GLU 91 11.439 -5.731 8.706 717 HG2 GLU 91 2HG GLU 91 9.561 -4.920 10.962 718 HG3 GLU 91 3HG GLU 91 10.887 -6.061 11.147 719 H ALA 92 H ALA 92 8.341 -6.199 6.744 720 HA ALA 92 HA ALA 92 10.101 -6.301 4.484 721 HB1 ALA 92 1HB ALA 92 8.224 -7.404 3.345 722 HB2 ALA 92 2HB ALA 92 8.500 -8.066 4.965 723 HB3 ALA 92 3HB ALA 92 7.140 -6.953 4.680 724 H LEU 93 H LEU 93 7.157 -4.296 5.021 725 HA LEU 93 HA LEU 93 7.163 -3.041 2.444 726 HB2 LEU 93 2HB LEU 93 6.100 -2.204 5.164 727 HB3 LEU 93 3HB LEU 93 5.774 -1.301 3.689 728 HG LEU 93 HG LEU 93 4.975 -4.219 4.032 729 HD11 LEU 93 1HD1 LEU 93 3.859 -2.804 5.718 730 HD12 LEU 93 2HD1 LEU 93 3.325 -1.689 4.435 731 HD13 LEU 93 3HD1 LEU 93 2.717 -3.361 4.488 732 HD21 LEU 93 3HD2 LEU 93 4.071 -2.084 2.067 733 HD22 LEU 93 1HD2 LEU 93 5.132 -3.463 1.694 734 HD23 LEU 93 2HD2 LEU 93 3.454 -3.748 2.173 735 H LYS 94 H LYS 94 8.783 -2.110 5.493 736 HA LYS 94 HA LYS 94 10.069 0.268 4.507 737 HB2 LYS 94 2HB LYS 94 10.654 -1.679 6.778 738 HB3 LYS 94 3HB LYS 94 11.657 -0.263 6.443 739 HG2 LYS 94 2HG LYS 94 9.886 1.262 6.934 740 HG3 LYS 94 3HG LYS 94 8.664 -0.013 6.928 741 HD2 LYS 94 2HD LYS 94 9.201 0.683 9.222 742 HD3 LYS 94 3HD LYS 94 9.596 -1.018 8.939 743 HE2 LYS 94 2HE LYS 94 12.000 -0.323 8.569 744 HE3 LYS 94 3HE LYS 94 11.544 1.326 9.031 745 HZ1 LYS 94 3HZ LYS 94 10.832 0.391 11.197 746 HZ2 LYS 94 1HZ LYS 94 11.296 -1.114 10.723 747 HZ3 LYS 94 2HZ LYS 94 12.414 0.062 10.923 748 H LYS 95 H LYS 95 11.100 -3.200 4.645 749 HA LYS 95 HA LYS 95 13.705 -2.666 3.617 750 HB2 LYS 95 2HB LYS 95 12.018 -5.172 3.777 751 HB3 LYS 95 3HB LYS 95 13.559 -5.191 2.913 752 HG2 LYS 95 2HG LYS 95 14.751 -4.340 4.884 753 HG3 LYS 95 3HG LYS 95 13.262 -4.312 5.819 754 HD2 LYS 95 2HD LYS 95 14.567 -6.795 4.618 755 HD3 LYS 95 3HD LYS 95 14.681 -6.277 6.307 756 HE2 LYS 95 2HE LYS 95 12.198 -6.475 6.518 757 HE3 LYS 95 3HE LYS 95 12.122 -7.079 4.857 758 HZ1 LYS 95 3HZ LYS 95 13.588 -8.406 7.077 759 HZ2 LYS 95 1HZ LYS 95 12.170 -8.914 6.450 760 HZ3 LYS 95 2HZ LYS 95 13.522 -8.955 5.540 761 H GLN 96 H GLN 96 10.705 -2.942 1.878 762 HA GLN 96 HA GLN 96 11.917 -3.173 -0.765 763 HB2 GLN 96 2HB GLN 96 9.127 -2.473 0.216 764 HB3 GLN 96 3HB GLN 96 9.583 -2.579 -1.486 765 HG2 GLN 96 2HG GLN 96 10.149 -4.926 -1.289 766 HG3 GLN 96 3HG GLN 96 9.916 -4.911 0.453 767 HE21 GLN 96 2HE2 GLN 96 8.354 -5.595 -2.500 768 HE22 GLN 96 1HE2 GLN 96 6.695 -5.373 -1.950 769 H LEU 97 H LEU 97 10.863 -0.430 1.291 770 HA LEU 97 HA LEU 97 12.520 1.338 -0.334 771 HB2 LEU 97 2HB LEU 97 10.792 3.062 -0.665 772 HB3 LEU 97 3HB LEU 97 10.599 1.646 -1.665 773 HG LEU 97 HG LEU 97 9.008 1.574 0.879 774 HD11 LEU 97 1HD1 LEU 97 7.277 3.082 0.008 775 HD12 LEU 97 2HD1 LEU 97 8.789 3.960 0.299 776 HD13 LEU 97 3HD1 LEU 97 8.321 3.524 -1.361 777 HD21 LEU 97 3HD2 LEU 97 8.781 -0.132 -0.908 778 HD22 LEU 97 1HD2 LEU 97 7.278 0.749 -0.619 779 HD23 LEU 97 2HD2 LEU 97 8.261 1.138 -2.041 780 HA PRO 98 HA PRO 98 12.350 2.056 4.157 781 HB2 PRO 98 2HB PRO 98 15.138 2.126 4.630 782 HB3 PRO 98 3HB PRO 98 14.039 0.735 4.805 783 HG2 PRO 98 2HG PRO 98 16.059 1.203 2.732 784 HG3 PRO 98 3HG PRO 98 15.113 -0.275 3.079 785 HD2 PRO 98 2HD PRO 98 14.715 1.670 0.962 786 HD3 PRO 98 3HD PRO 98 13.838 0.145 1.266 787 H GLY 99 H GLY 99 12.383 4.008 5.321 788 HA2 GLY 99 2HA GLY 99 13.106 6.418 3.854 789 HA3 GLY 99 3HA GLY 99 12.152 6.288 5.324 790 H VAL 100 H VAL 100 13.377 8.193 5.757 791 HA VAL 100 HA VAL 100 16.197 8.080 6.492 792 HB VAL 100 HB VAL 100 14.067 10.162 7.150 793 HG11 VAL 100 1HG1 VAL 100 17.108 10.284 7.432 794 HG12 VAL 100 2HG1 VAL 100 16.009 11.674 7.582 795 HG13 VAL 100 3HG1 VAL 100 15.920 10.360 8.755 796 HG21 VAL 100 3HG2 VAL 100 15.155 11.481 5.357 797 HG22 VAL 100 1HG2 VAL 100 16.246 10.120 5.011 798 HG23 VAL 100 2HG2 VAL 100 14.501 9.970 4.722 799 H LYS 101 H LYS 101 17.161 7.756 8.268 800 HA LYS 101 HA LYS 101 15.786 6.346 10.404 801 HB2 LYS 101 2HB LYS 101 17.985 5.717 9.190 802 HB3 LYS 101 3HB LYS 101 18.772 6.896 10.254 803 HG2 LYS 101 2HG LYS 101 17.674 5.692 12.203 804 HG3 LYS 101 3HG LYS 101 17.071 4.500 11.044 805 HD2 LYS 101 2HD LYS 101 20.015 5.108 11.598 806 HD3 LYS 101 3HD LYS 101 19.112 3.743 12.269 807 HE2 LYS 101 2HE LYS 101 18.684 2.894 9.964 808 HE3 LYS 101 3HE LYS 101 19.626 4.236 9.301 809 HZ1 LYS 101 3HZ LYS 101 21.567 3.386 10.505 810 HZ2 LYS 101 1HZ LYS 101 20.699 2.142 11.116 811 HZ3 LYS 101 2HZ LYS 101 20.978 2.235 9.511 812 H SER 102 H SER 102 14.631 8.497 10.765 813 HA SER 102 HA SER 102 15.882 10.585 12.291 814 HB2 SER 102 2HB SER 102 13.717 10.683 10.987 815 HB3 SER 102 3HB SER 102 12.944 9.817 12.328 816 HG SER 102 HG SER 102 12.813 12.160 12.416 817 H GLU 103 H GLU 103 14.728 7.437 13.248 818 HA GLU 103 HA GLU 103 15.816 7.890 15.951 819 HB2 GLU 103 2HB GLU 103 13.435 8.405 16.178 820 HB3 GLU 103 3HB GLU 103 12.988 6.822 15.540 821 HG2 GLU 103 2HG GLU 103 14.047 5.720 17.463 822 HG3 GLU 103 3HG GLU 103 14.690 7.258 18.038 823 H GLY 104 H GLY 104 17.498 6.483 15.682 824 HA2 GLY 104 2HA GLY 104 17.322 3.843 14.537 825 HA3 GLY 104 3HA GLY 104 18.610 4.467 15.573 826 H LYS 105 H LYS 105 16.265 5.039 17.592 827 HA LYS 105 HA LYS 105 16.501 2.546 19.114 828 HB2 LYS 105 2HB LYS 105 15.078 5.170 19.736 829 HB3 LYS 105 3HB LYS 105 15.270 3.814 20.852 830 HG2 LYS 105 2HG LYS 105 17.745 4.047 20.730 831 HG3 LYS 105 3HG LYS 105 17.565 5.399 19.614 832 HD2 LYS 105 2HD LYS 105 17.992 6.294 21.806 833 HD3 LYS 105 3HD LYS 105 16.353 6.699 21.317 834 HE2 LYS 105 2HE LYS 105 16.300 6.111 23.635 835 HE3 LYS 105 3HE LYS 105 15.476 4.835 22.743 836 HZ1 LYS 105 3HZ LYS 105 17.516 3.492 22.933 837 HZ2 LYS 105 1HZ LYS 105 18.282 4.697 23.731 838 HZ3 LYS 105 2HZ LYS 105 17.010 3.943 24.415 839 H ARG 106 H ARG 106 14.397 3.450 16.666 840 HA ARG 106 HA ARG 106 11.933 2.373 17.653 841 HB2 ARG 106 2HB ARG 106 12.379 3.862 15.551 842 HB3 ARG 106 3HB ARG 106 12.809 2.362 14.743 843 HG2 ARG 106 2HG ARG 106 10.609 2.309 14.186 844 HG3 ARG 106 3HG ARG 106 10.376 1.633 15.789 845 HD2 ARG 106 2HD ARG 106 9.975 4.499 14.869 846 HD3 ARG 106 3HD ARG 106 8.746 3.380 15.461 847 HE ARG 106 HE ARG 106 10.566 5.060 17.048 848 HH11 ARG 106 1HH2 ARG 106 8.495 2.145 17.409 849 HH12 ARG 106 2HH2 ARG 106 8.745 2.279 19.159 850 HH21 ARG 106 1HH1 ARG 106 10.628 5.063 19.105 851 HH22 ARG 106 2HH1 ARG 106 9.813 3.781 20.064 852 H LYS 107 H LYS 107 14.768 0.859 16.275 853 HA LYS 107 HA LYS 107 13.791 -1.767 15.729 854 HB2 LYS 107 2HB LYS 107 15.944 -0.772 15.001 855 HB3 LYS 107 3HB LYS 107 16.562 -0.851 16.636 856 HG2 LYS 107 2HG LYS 107 15.664 -3.272 14.997 857 HG3 LYS 107 3HG LYS 107 17.300 -2.642 14.987 858 HD2 LYS 107 2HD LYS 107 15.902 -3.943 17.352 859 HD3 LYS 107 3HD LYS 107 17.217 -4.584 16.379 860 HE2 LYS 107 2HE LYS 107 18.683 -2.698 17.132 861 HE3 LYS 107 3HE LYS 107 17.377 -2.126 18.180 862 HZ1 LYS 107 3HZ LYS 107 17.487 -4.255 19.366 863 HZ2 LYS 107 1HZ LYS 107 18.694 -4.782 18.397 864 HZ3 LYS 107 2HZ LYS 107 18.943 -3.520 19.400 865 H GLY 108 H GLY 108 12.969 -3.233 17.040 866 HA2 GLY 108 2HA GLY 108 12.792 -4.657 18.915 867 HA3 GLY 108 3HA GLY 108 13.858 -3.585 19.835 868 H ASP 109 H ASP 109 12.307 -1.144 19.257 869 HA ASP 109 HA ASP 109 10.464 -1.344 21.478 870 HB2 ASP 109 2HB ASP 109 12.008 0.547 20.948 871 HB3 ASP 109 3HB ASP 109 11.001 0.940 19.554 872 H GLU 110 H GLU 110 9.985 -1.990 18.192 873 HA GLU 110 HA GLU 110 7.107 -1.501 18.264 874 HB2 GLU 110 2HB GLU 110 8.833 -3.162 16.370 875 HB3 GLU 110 3HB GLU 110 7.118 -2.854 16.130 876 HG2 GLU 110 2HG GLU 110 9.323 -0.752 16.150 877 HG3 GLU 110 3HG GLU 110 8.507 -1.397 14.732 878 H VAL 111 H VAL 111 9.091 -3.921 19.629 879 HA VAL 111 HA VAL 111 6.784 -5.794 19.954 880 HB VAL 111 HB VAL 111 8.320 -7.705 19.734 881 HG11 VAL 111 1HG1 VAL 111 8.466 -7.708 17.328 882 HG12 VAL 111 2HG1 VAL 111 6.949 -6.943 17.837 883 HG13 VAL 111 3HG1 VAL 111 8.301 -5.941 17.263 884 HG21 VAL 111 3HG2 VAL 111 10.365 -5.720 18.654 885 HG22 VAL 111 1HG2 VAL 111 10.481 -6.545 20.226 886 HG23 VAL 111 2HG2 VAL 111 10.515 -7.485 18.727 887 H ASP 112 H ASP 112 8.426 -3.755 21.712 888 HA ASP 112 HA ASP 112 8.856 -5.527 24.078 889 HB2 ASP 112 2HB ASP 112 10.820 -4.280 23.319 890 HB3 ASP 112 3HB ASP 112 9.946 -2.761 23.490 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -0.504 1.008 21.187 2 H2 GLY 1 H2 GLY 1 -0.179 1.591 22.684 3 H3 GLY 1 H3 GLY 1 1.022 0.936 21.783 4 HA2 GLY 1 2HA GLY 1 1.201 3.340 21.780 5 HA3 GLY 1 3HA GLY 1 0.881 2.695 20.160 6 H SER 2 H SER 2 0.208 5.310 21.666 7 HA SER 2 HA SER 2 -2.647 5.327 22.017 8 HB2 SER 2 2HB SER 2 -0.695 7.645 22.076 9 HB3 SER 2 3HB SER 2 -2.336 7.611 22.753 10 HG SER 2 HG SER 2 -0.738 7.200 24.349 11 H LYS 3 H LYS 3 -2.208 4.668 19.342 12 HA LYS 3 HA LYS 3 -2.705 5.174 17.153 13 HB2 LYS 3 2HB LYS 3 -4.983 6.643 18.545 14 HB3 LYS 3 3HB LYS 3 -4.922 6.210 16.844 15 HG2 LYS 3 2HG LYS 3 -6.210 4.540 17.657 16 HG3 LYS 3 3HG LYS 3 -4.633 3.759 17.613 17 HD2 LYS 3 2HD LYS 3 -4.398 4.106 20.064 18 HD3 LYS 3 3HD LYS 3 -5.934 4.973 20.111 19 HE2 LYS 3 2HE LYS 3 -5.579 2.070 19.225 20 HE3 LYS 3 3HE LYS 3 -5.986 2.560 20.870 21 HZ1 LYS 3 3HZ LYS 3 -8.022 3.584 20.004 22 HZ2 LYS 3 1HZ LYS 3 -7.669 3.099 18.482 23 HZ3 LYS 3 2HZ LYS 3 -7.980 1.996 19.639 24 H ALA 4 H ALA 4 -0.599 6.618 17.674 25 HA ALA 4 HA ALA 4 -0.788 9.433 17.437 26 HB1 ALA 4 1HB ALA 4 1.513 7.571 16.713 27 HB2 ALA 4 2HB ALA 4 1.635 9.320 16.998 28 HB3 ALA 4 3HB ALA 4 1.172 8.241 18.327 29 H GLU 5 H GLU 5 -0.341 10.871 15.758 30 HA GLU 5 HA GLU 5 -1.517 10.104 13.195 31 HB2 GLU 5 2HB GLU 5 -0.641 12.802 14.284 32 HB3 GLU 5 3HB GLU 5 -1.510 12.535 12.763 33 HG2 GLU 5 2HG GLU 5 -3.389 11.497 14.018 34 HG3 GLU 5 3HG GLU 5 -2.559 11.837 15.538 35 H LYS 6 H LYS 6 0.656 8.687 13.160 36 HA LYS 6 HA LYS 6 3.060 9.924 12.157 37 HB2 LYS 6 2HB LYS 6 2.938 7.766 13.367 38 HB3 LYS 6 3HB LYS 6 2.096 7.030 11.995 39 HG2 LYS 6 2HG LYS 6 4.056 7.328 10.567 40 HG3 LYS 6 3HG LYS 6 4.881 8.262 11.836 41 HD2 LYS 6 2HD LYS 6 4.876 6.248 13.294 42 HD3 LYS 6 3HD LYS 6 4.085 5.320 11.997 43 HE2 LYS 6 2HE LYS 6 6.002 5.734 10.501 44 HE3 LYS 6 3HE LYS 6 6.774 6.745 11.729 45 HZ1 LYS 6 3HZ LYS 6 7.687 4.504 11.767 46 HZ2 LYS 6 1HZ LYS 6 6.911 4.787 13.172 47 HZ3 LYS 6 2HZ LYS 6 6.211 3.845 12.034 48 H THR 7 H THR 7 0.226 8.653 10.476 49 HA THR 7 HA THR 7 1.309 8.244 7.946 50 HB THR 7 HB THR 7 -1.484 9.303 8.435 51 HG1 THR 7 1HG THR 7 -2.084 7.311 9.053 52 HG21 THR 7 1HG2 THR 7 -2.190 8.062 6.579 53 HG22 THR 7 2HG2 THR 7 -0.710 8.787 6.009 54 HG23 THR 7 3HG2 THR 7 -0.691 7.113 6.513 55 H LEU 8 H LEU 8 1.607 9.470 6.080 56 HA LEU 8 HA LEU 8 1.759 12.365 6.370 57 HB2 LEU 8 2HB LEU 8 2.893 12.442 4.430 58 HB3 LEU 8 3HB LEU 8 3.246 10.795 4.922 59 HG LEU 8 HG LEU 8 1.205 11.691 2.824 60 HD11 LEU 8 1HD1 LEU 8 3.794 10.141 2.503 61 HD12 LEU 8 2HD1 LEU 8 2.683 10.650 1.219 62 HD13 LEU 8 3HD1 LEU 8 3.581 11.869 2.138 63 HD21 LEU 8 3HD2 LEU 8 0.417 9.605 3.948 64 HD22 LEU 8 1HD2 LEU 8 0.949 9.312 2.292 65 HD23 LEU 8 2HD2 LEU 8 1.994 8.884 3.675 66 H GLY 9 H GLY 9 -0.943 10.456 5.619 67 HA2 GLY 9 2HA GLY 9 -3.128 11.212 5.349 68 HA3 GLY 9 3HA GLY 9 -2.553 12.795 4.848 69 H ASP 10 H ASP 10 -1.208 10.042 3.093 70 HA ASP 10 HA ASP 10 -3.066 10.588 0.834 71 HB2 ASP 10 2HB ASP 10 -0.519 11.657 1.016 72 HB3 ASP 10 3HB ASP 10 -0.237 10.187 0.076 73 H PHE 11 H PHE 11 -1.358 8.014 2.501 74 HA PHE 11 HA PHE 11 -2.634 6.109 0.689 75 HB2 PHE 11 2HB PHE 11 -0.298 4.869 0.538 76 HB3 PHE 11 3HB PHE 11 -0.893 5.979 -0.666 77 HD1 PHE 11 HD1 PHE 11 1.012 6.381 2.545 78 HD2 PHE 11 HD2 PHE 11 0.757 7.185 -1.678 79 HE1 PHE 11 HE1 PHE 11 3.321 7.343 2.572 80 HE2 PHE 11 HE2 PHE 11 3.013 8.225 -1.620 81 HZ PHE 11 HZ PHE 11 4.303 8.220 0.521 82 H ALA 12 H ALA 12 -2.462 3.891 1.319 83 HA ALA 12 HA ALA 12 -2.588 3.602 4.287 84 HB1 ALA 12 1HB ALA 12 -4.704 2.566 4.087 85 HB2 ALA 12 2HB ALA 12 -4.796 3.944 2.962 86 HB3 ALA 12 3HB ALA 12 -4.510 2.307 2.351 87 H ALA 13 H ALA 13 -2.508 1.467 5.141 88 HA ALA 13 HA ALA 13 -1.656 -0.773 3.416 89 HB1 ALA 13 1HB ALA 13 -0.022 0.250 5.794 90 HB2 ALA 13 2HB ALA 13 0.360 -1.155 4.763 91 HB3 ALA 13 3HB ALA 13 0.412 0.490 4.100 92 H GLU 14 H GLU 14 -2.877 -2.505 4.038 93 HA GLU 14 HA GLU 14 -3.274 -3.178 6.872 94 HB2 GLU 14 2HB GLU 14 -5.725 -3.199 6.751 95 HB3 GLU 14 3HB GLU 14 -5.080 -1.573 6.608 96 HG2 GLU 14 2HG GLU 14 -5.501 -1.542 4.199 97 HG3 GLU 14 3HG GLU 14 -5.959 -3.249 4.218 98 H TYR 15 H TYR 15 -4.601 -5.296 7.081 99 HA TYR 15 HA TYR 15 -3.927 -7.203 4.959 100 HB2 TYR 15 2HB TYR 15 -5.767 -7.467 7.357 101 HB3 TYR 15 3HB TYR 15 -5.281 -8.774 6.290 102 HD1 TYR 15 HD2 TYR 15 -2.209 -7.445 6.283 103 HD2 TYR 15 HD1 TYR 15 -5.036 -8.931 9.197 104 HE1 TYR 15 HE2 TYR 15 -0.342 -8.100 7.753 105 HE2 TYR 15 HE1 TYR 15 -3.154 -9.549 10.690 106 HH TYR 15 HH TYR 15 -0.911 -9.653 10.939 107 H ALA 16 H ALA 16 -5.117 -7.927 3.334 108 HA ALA 16 HA ALA 16 -7.560 -6.631 2.517 109 HB1 ALA 16 1HB ALA 16 -7.408 -8.275 0.652 110 HB2 ALA 16 2HB ALA 16 -5.884 -7.402 0.924 111 HB3 ALA 16 3HB ALA 16 -6.056 -9.051 1.520 112 H LYS 17 H LYS 17 -9.630 -7.231 2.790 113 HA LYS 17 HA LYS 17 -10.184 -9.540 4.619 114 HB2 LYS 17 2HB LYS 17 -11.617 -6.890 4.159 115 HB3 LYS 17 3HB LYS 17 -12.155 -8.139 5.292 116 HG2 LYS 17 2HG LYS 17 -10.173 -7.911 6.647 117 HG3 LYS 17 3HG LYS 17 -9.388 -6.885 5.447 118 HD2 LYS 17 2HD LYS 17 -11.093 -5.113 5.811 119 HD3 LYS 17 3HD LYS 17 -11.853 -6.129 7.044 120 HE2 LYS 17 2HE LYS 17 -10.445 -4.521 8.162 121 HE3 LYS 17 3HE LYS 17 -9.731 -6.125 8.348 122 HZ1 LYS 17 3HZ LYS 17 -8.040 -4.509 7.770 123 HZ2 LYS 17 1HZ LYS 17 -8.185 -5.526 6.492 124 HZ3 LYS 17 2HZ LYS 17 -8.815 -4.032 6.415 125 H SER 18 H SER 18 -10.955 -8.425 1.461 126 HA SER 18 HA SER 18 -12.382 -10.921 0.914 127 HB2 SER 18 2HB SER 18 -14.257 -9.854 -0.223 128 HB3 SER 18 3HB SER 18 -14.227 -9.363 1.479 129 HG SER 18 HG SER 18 -14.547 -7.534 0.240 130 H ASN 19 H ASN 19 -12.441 -11.381 -1.395 131 HA ASN 19 HA ASN 19 -10.087 -10.387 -2.773 132 HB2 ASN 19 2HB ASN 19 -12.194 -12.333 -3.777 133 HB3 ASN 19 3HB ASN 19 -10.564 -12.115 -4.406 134 HD21 ASN 19 2HD2 ASN 19 -8.834 -13.332 -3.410 135 HD22 ASN 19 1HD2 ASN 19 -9.192 -14.389 -2.067 136 H ARG 20 H ARG 20 -12.588 -8.610 -2.352 137 HA ARG 20 HA ARG 20 -13.466 -7.891 -5.065 138 HB2 ARG 20 2HB ARG 20 -13.995 -6.576 -2.365 139 HB3 ARG 20 3HB ARG 20 -14.806 -6.179 -3.873 140 HG2 ARG 20 2HG ARG 20 -15.002 -8.853 -2.416 141 HG3 ARG 20 3HG ARG 20 -16.207 -7.563 -2.417 142 HD2 ARG 20 2HD ARG 20 -16.449 -7.806 -4.886 143 HD3 ARG 20 3HD ARG 20 -15.307 -9.169 -4.843 144 HE ARG 20 HE ARG 20 -17.339 -9.727 -2.961 145 HH11 ARG 20 1HH2 ARG 20 -17.150 -9.410 -6.446 146 HH12 ARG 20 2HH2 ARG 20 -18.492 -10.492 -6.708 147 HH21 ARG 20 1HH1 ARG 20 -19.041 -11.095 -3.367 148 HH22 ARG 20 2HH1 ARG 20 -19.528 -11.417 -5.004 149 H SER 21 H SER 21 -10.952 -6.814 -2.893 150 HA SER 21 HA SER 21 -10.406 -4.279 -4.205 151 HB2 SER 21 2HB SER 21 -8.626 -6.156 -2.598 152 HB3 SER 21 3HB SER 21 -8.115 -4.570 -3.208 153 HG SER 21 HG SER 21 -9.814 -3.629 -1.999 154 H THR 22 H THR 22 -9.003 -3.817 -5.895 155 HA THR 22 HA THR 22 -7.647 -6.062 -7.302 156 HB THR 22 HB THR 22 -9.247 -3.914 -8.700 157 HG1 THR 22 1HG THR 22 -10.678 -5.540 -9.208 158 HG21 THR 22 1HG2 THR 22 -7.936 -6.422 -9.827 159 HG22 THR 22 2HG2 THR 22 -8.887 -5.238 -10.739 160 HG23 THR 22 3HG2 THR 22 -7.327 -4.767 -10.056 161 H CYS 23 HN CYS 23 -5.669 -5.611 -8.011 162 HA CYS 23 HA CYS 23 -4.396 -3.217 -7.027 163 HB2 CYS 23 2HB CYS 23 -3.320 -5.336 -6.831 164 HB3 CYS 23 3HB CYS 23 -3.577 -5.681 -8.542 165 H LYS 24 H LYS 24 -4.576 -1.356 -8.114 166 HA LYS 24 HA LYS 24 -4.862 -1.169 -11.033 167 HB2 LYS 24 2HB LYS 24 -4.635 0.759 -8.714 168 HB3 LYS 24 3HB LYS 24 -4.384 1.342 -10.363 169 HG2 LYS 24 2HG LYS 24 -6.684 1.675 -9.832 170 HG3 LYS 24 3HG LYS 24 -6.571 0.438 -11.065 171 HD2 LYS 24 2HD LYS 24 -7.109 -1.308 -9.456 172 HD3 LYS 24 3HD LYS 24 -6.888 -0.192 -8.103 173 HE2 LYS 24 2HE LYS 24 -9.237 -0.527 -8.402 174 HE3 LYS 24 3HE LYS 24 -8.849 1.131 -8.865 175 HZ1 LYS 24 3HZ LYS 24 -8.946 0.425 -11.206 176 HZ2 LYS 24 1HZ LYS 24 -9.287 -1.119 -10.768 177 HZ3 LYS 24 2HZ LYS 24 -10.350 0.073 -10.458 178 H GLY 25 H GLY 25 -2.225 -1.758 -9.046 179 HA2 GLY 25 2HA GLY 25 -0.127 -0.471 -10.609 180 HA3 GLY 25 3HA GLY 25 0.066 -1.723 -9.380 181 H CYS 26 HN CYS 26 -1.642 -3.676 -10.721 182 HA CYS 26 HA CYS 26 -0.303 -4.109 -13.338 183 HB2 CYS 26 2HB CYS 26 0.268 -6.374 -12.896 184 HB3 CYS 26 3HB CYS 26 0.971 -5.366 -11.631 185 H MET 27 H MET 27 -3.280 -3.997 -11.863 186 HA MET 27 HA MET 27 -5.353 -4.488 -12.443 187 HB2 MET 27 2HB MET 27 -4.480 -3.576 -14.709 188 HB3 MET 27 3HB MET 27 -4.557 -5.250 -15.244 189 HG2 MET 27 2HG MET 27 -6.663 -4.695 -15.821 190 HG3 MET 27 3HG MET 27 -7.034 -5.037 -14.139 191 HE1 MET 27 3HE MET 27 -5.629 -2.275 -12.804 192 HE2 MET 27 1HE MET 27 -7.091 -1.280 -12.688 193 HE3 MET 27 2HE MET 27 -7.157 -3.002 -12.244 194 H GLU 28 H GLU 28 -4.361 -6.317 -10.904 195 HA GLU 28 HA GLU 28 -5.889 -8.709 -11.764 196 HB2 GLU 28 2HB GLU 28 -3.132 -8.882 -10.476 197 HB3 GLU 28 3HB GLU 28 -4.295 -10.203 -10.587 198 HG2 GLU 28 2HG GLU 28 -4.290 -9.878 -13.115 199 HG3 GLU 28 3HG GLU 28 -2.915 -8.790 -12.895 200 H LYS 29 H LYS 29 -6.866 -9.871 -9.995 201 HA LYS 29 HA LYS 29 -7.747 -7.957 -8.012 202 HB2 LYS 29 2HB LYS 29 -8.531 -10.868 -8.183 203 HB3 LYS 29 3HB LYS 29 -9.314 -9.568 -7.257 204 HG2 LYS 29 2HG LYS 29 -9.838 -8.379 -9.379 205 HG3 LYS 29 3HG LYS 29 -9.150 -9.734 -10.295 206 HD2 LYS 29 2HD LYS 29 -10.812 -11.270 -9.276 207 HD3 LYS 29 3HD LYS 29 -11.511 -9.908 -8.370 208 HE2 LYS 29 2HE LYS 29 -12.035 -8.751 -10.499 209 HE3 LYS 29 3HE LYS 29 -11.317 -10.085 -11.412 210 HZ1 LYS 29 3HZ LYS 29 -13.030 -11.555 -10.493 211 HZ2 LYS 29 1HZ LYS 29 -13.695 -10.326 -9.644 212 HZ3 LYS 29 2HZ LYS 29 -13.731 -10.308 -11.275 213 H ILE 30 H ILE 30 -7.397 -7.799 -5.911 214 HA ILE 30 HA ILE 30 -4.946 -9.004 -4.863 215 HB ILE 30 HB ILE 30 -6.879 -6.896 -3.900 216 HG12 ILE 30 2HG1 ILE 30 -3.892 -6.691 -4.457 217 HG13 ILE 30 3HG1 ILE 30 -5.076 -6.542 -5.746 218 HG21 ILE 30 1HG2 ILE 30 -4.438 -7.882 -2.372 219 HG22 ILE 30 2HG2 ILE 30 -5.437 -6.467 -1.977 220 HG23 ILE 30 3HG2 ILE 30 -6.128 -8.076 -1.849 221 HD11 ILE 30 3HD1 ILE 30 -6.118 -4.617 -4.622 222 HD12 ILE 30 1HD1 ILE 30 -4.878 -4.701 -3.339 223 HD13 ILE 30 2HD1 ILE 30 -4.415 -4.355 -5.015 224 H GLU 31 H GLU 31 -4.749 -10.596 -3.423 225 HA GLU 31 HA GLU 31 -7.073 -12.229 -2.779 226 HB2 GLU 31 2HB GLU 31 -4.135 -12.486 -2.043 227 HB3 GLU 31 3HB GLU 31 -5.363 -13.687 -1.648 228 HG2 GLU 31 2HG GLU 31 -4.644 -12.847 -4.488 229 HG3 GLU 31 3HG GLU 31 -3.939 -14.204 -3.624 230 H LYS 32 H LYS 32 -8.042 -12.570 -0.879 231 HA LYS 32 HA LYS 32 -7.533 -10.702 1.300 232 HB2 LYS 32 2HB LYS 32 -9.450 -11.458 2.380 233 HB3 LYS 32 3HB LYS 32 -9.788 -11.324 0.672 234 HG2 LYS 32 2HG LYS 32 -10.899 -13.237 1.183 235 HG3 LYS 32 3HG LYS 32 -9.390 -13.884 0.548 236 HD2 LYS 32 2HD LYS 32 -10.102 -15.152 2.475 237 HD3 LYS 32 3HD LYS 32 -8.630 -14.292 2.917 238 HE2 LYS 32 2HE LYS 32 -9.960 -12.573 4.102 239 HE3 LYS 32 3HE LYS 32 -11.459 -13.333 3.555 240 HZ1 LYS 32 3HZ LYS 32 -9.465 -14.615 5.353 241 HZ2 LYS 32 1HZ LYS 32 -10.902 -13.999 5.822 242 HZ3 LYS 32 2HZ LYS 32 -10.859 -15.307 4.851 243 H GLY 33 H GLY 33 -6.950 -11.145 3.396 244 HA2 GLY 33 2HA GLY 33 -5.920 -12.290 5.158 245 HA3 GLY 33 3HA GLY 33 -5.755 -13.734 4.158 246 H GLN 34 H GLN 34 -4.547 -11.060 2.486 247 HA GLN 34 HA GLN 34 -1.843 -11.119 3.682 248 HB2 GLN 34 2HB GLN 34 -0.750 -11.251 1.526 249 HB3 GLN 34 3HB GLN 34 -1.719 -12.670 1.854 250 HG2 GLN 34 2HG GLN 34 -2.059 -12.263 -0.434 251 HG3 GLN 34 3HG GLN 34 -3.524 -11.685 0.323 252 HE21 GLN 34 1HE2 GLN 34 -4.085 -9.458 -0.068 253 HE22 GLN 34 2HE2 GLN 34 -2.878 -8.287 -0.632 254 H VAL 35 H VAL 35 -0.512 -9.156 2.816 255 HA VAL 35 HA VAL 35 -2.017 -6.859 3.614 256 HB VAL 35 HB VAL 35 0.769 -6.996 2.417 257 HG11 VAL 35 1HG1 VAL 35 -0.060 -4.680 2.351 258 HG12 VAL 35 2HG1 VAL 35 -0.593 -4.801 4.047 259 HG13 VAL 35 3HG1 VAL 35 1.132 -4.855 3.631 260 HG21 VAL 35 3HG2 VAL 35 1.521 -6.862 4.775 261 HG22 VAL 35 1HG2 VAL 35 -0.164 -7.034 5.304 262 HG23 VAL 35 2HG2 VAL 35 0.646 -8.355 4.444 263 H ARG 36 H ARG 36 -2.887 -5.180 2.572 264 HA ARG 36 HA ARG 36 -2.466 -4.798 -0.351 265 HB2 ARG 36 2HB ARG 36 -4.758 -4.043 -0.625 266 HB3 ARG 36 3HB ARG 36 -4.685 -5.720 -0.091 267 HG2 ARG 36 2HG ARG 36 -5.357 -5.121 2.164 268 HG3 ARG 36 3HG ARG 36 -5.282 -3.404 1.786 269 HD2 ARG 36 2HD ARG 36 -7.113 -3.682 0.123 270 HD3 ARG 36 3HD ARG 36 -7.201 -5.400 0.518 271 HE ARG 36 HE ARG 36 -7.463 -3.751 2.892 272 HH11 ARG 36 1HH2 ARG 36 -9.458 -4.750 0.147 273 HH12 ARG 36 2HH2 ARG 36 -10.899 -4.658 1.104 274 HH21 ARG 36 1HH1 ARG 36 -9.339 -3.484 3.924 275 HH22 ARG 36 2HH1 ARG 36 -10.856 -3.901 3.152 276 H LEU 37 H LEU 37 -2.021 -2.752 -0.988 277 HA LEU 37 HA LEU 37 -2.031 -0.620 1.094 278 HB2 LEU 37 2HB LEU 37 -0.296 -0.619 -1.393 279 HB3 LEU 37 3HB LEU 37 -0.267 0.477 -0.004 280 HG LEU 37 HG LEU 37 1.644 -0.704 0.153 281 HD11 LEU 37 1HD1 LEU 37 0.446 -0.479 2.225 282 HD12 LEU 37 2HD1 LEU 37 -0.179 -2.138 2.093 283 HD13 LEU 37 3HD1 LEU 37 1.568 -1.848 2.251 284 HD21 LEU 37 3HD2 LEU 37 1.119 -2.620 -1.342 285 HD22 LEU 37 1HD2 LEU 37 1.941 -3.086 0.168 286 HD23 LEU 37 2HD2 LEU 37 0.212 -3.394 -0.020 287 H SER 38 H SER 38 -2.696 1.499 0.408 288 HA SER 38 HA SER 38 -3.866 1.660 -2.295 289 HB2 SER 38 2HB SER 38 -5.910 2.582 -1.706 290 HB3 SER 38 3HB SER 38 -5.715 1.310 -0.501 291 HG SER 38 HG SER 38 -6.363 3.305 0.439 292 H LYS 39 H LYS 39 -4.171 3.845 -3.084 293 HA LYS 39 HA LYS 39 -2.854 6.006 -1.496 294 HB2 LYS 39 2HB LYS 39 -1.335 5.687 -3.305 295 HB3 LYS 39 3HB LYS 39 -2.645 5.576 -4.490 296 HG2 LYS 39 2HG LYS 39 -3.188 7.909 -4.271 297 HG3 LYS 39 3HG LYS 39 -2.100 8.109 -2.878 298 HD2 LYS 39 2HD LYS 39 -0.155 7.789 -4.235 299 HD3 LYS 39 3HD LYS 39 -1.136 7.248 -5.616 300 HE2 LYS 39 2HE LYS 39 -0.762 9.364 -6.314 301 HE3 LYS 39 3HE LYS 39 -2.254 9.630 -5.413 302 HZ1 LYS 39 3HZ LYS 39 -0.864 10.415 -3.526 303 HZ2 LYS 39 1HZ LYS 39 0.498 10.078 -4.405 304 HZ3 LYS 39 2HZ LYS 39 -0.523 11.265 -4.871 305 H LYS 40 H LYS 40 -4.094 7.726 -1.075 306 HA LYS 40 HA LYS 40 -6.781 7.872 -2.258 307 HB2 LYS 40 2HB LYS 40 -6.829 8.097 0.045 308 HB3 LYS 40 3HB LYS 40 -5.489 9.226 0.084 309 HG2 LYS 40 2HG LYS 40 -7.685 10.256 -1.622 310 HG3 LYS 40 3HG LYS 40 -8.291 9.772 -0.057 311 HD2 LYS 40 2HD LYS 40 -7.631 12.120 -0.156 312 HD3 LYS 40 3HD LYS 40 -6.767 11.179 1.099 313 HE2 LYS 40 2HE LYS 40 -4.817 11.012 -0.537 314 HE3 LYS 40 3HE LYS 40 -5.638 12.191 -1.544 315 HZ1 LYS 40 3HZ LYS 40 -4.751 12.623 1.268 316 HZ2 LYS 40 1HZ LYS 40 -3.974 13.132 -0.061 317 HZ3 LYS 40 2HZ LYS 40 -5.455 13.773 0.313 318 H MET 41 H MET 41 -7.091 8.975 -4.052 319 HA MET 41 HA MET 41 -6.014 11.661 -4.460 320 HB2 MET 41 2HB MET 41 -4.945 11.202 -6.638 321 HB3 MET 41 3HB MET 41 -4.092 10.432 -5.308 322 HG2 MET 41 2HG MET 41 -5.233 8.272 -5.859 323 HG3 MET 41 3HG MET 41 -6.013 9.062 -7.232 324 HE1 MET 41 3HE MET 41 -4.480 6.408 -7.335 325 HE2 MET 41 1HE MET 41 -5.197 7.168 -8.776 326 HE3 MET 41 2HE MET 41 -3.518 6.571 -8.831 327 H VAL 42 H VAL 42 -7.292 12.868 -5.985 328 HA VAL 42 HA VAL 42 -9.661 11.907 -7.065 329 HB VAL 42 HB VAL 42 -7.723 13.886 -8.332 330 HG11 VAL 42 1HG1 VAL 42 -9.735 14.776 -9.520 331 HG12 VAL 42 2HG1 VAL 42 -9.292 13.155 -10.047 332 HG13 VAL 42 3HG1 VAL 42 -10.669 13.383 -8.935 333 HG21 VAL 42 3HG2 VAL 42 -9.220 15.615 -7.369 334 HG22 VAL 42 1HG2 VAL 42 -10.155 14.348 -6.552 335 HG23 VAL 42 2HG2 VAL 42 -8.457 14.642 -6.115 336 H ASP 43 H ASP 43 -10.194 10.473 -8.630 337 HA ASP 43 HA ASP 43 -8.180 8.744 -9.658 338 HB2 ASP 43 2HB ASP 43 -10.583 8.157 -9.171 339 HB3 ASP 43 3HB ASP 43 -11.034 8.998 -10.640 340 HA PRO 44 HA PRO 44 -7.071 11.354 -13.064 341 HB2 PRO 44 2HB PRO 44 -5.202 9.770 -14.340 342 HB3 PRO 44 3HB PRO 44 -4.911 10.547 -12.755 343 HG2 PRO 44 2HG PRO 44 -5.873 7.707 -13.275 344 HG3 PRO 44 3HG PRO 44 -4.521 8.239 -12.218 345 HD2 PRO 44 2HD PRO 44 -6.974 7.715 -11.226 346 HD3 PRO 44 3HD PRO 44 -6.006 9.084 -10.598 347 H GLU 45 H GLU 45 -8.687 8.333 -13.499 348 HA GLU 45 HA GLU 45 -9.191 8.809 -16.414 349 HB2 GLU 45 2HB GLU 45 -9.633 6.377 -14.643 350 HB3 GLU 45 3HB GLU 45 -10.017 6.463 -16.358 351 HG2 GLU 45 2HG GLU 45 -7.730 6.570 -16.999 352 HG3 GLU 45 3HG GLU 45 -7.178 6.970 -15.378 353 H LYS 46 H LYS 46 -10.536 9.296 -13.350 354 HA LYS 46 HA LYS 46 -13.300 9.776 -14.340 355 HB2 LYS 46 2HB LYS 46 -12.592 7.999 -11.982 356 HB3 LYS 46 3HB LYS 46 -14.221 8.525 -12.404 357 HG2 LYS 46 2HG LYS 46 -14.188 7.255 -14.459 358 HG3 LYS 46 3HG LYS 46 -12.513 6.748 -14.191 359 HD2 LYS 46 2HD LYS 46 -14.813 6.213 -12.277 360 HD3 LYS 46 3HD LYS 46 -14.249 5.050 -13.491 361 HE2 LYS 46 2HE LYS 46 -12.750 6.076 -11.045 362 HE3 LYS 46 3HE LYS 46 -13.334 4.439 -11.341 363 HZ1 LYS 46 3HZ LYS 46 -10.999 4.525 -11.749 364 HZ2 LYS 46 1HZ LYS 46 -11.692 4.372 -13.232 365 HZ3 LYS 46 2HZ LYS 46 -11.083 5.824 -12.700 366 HA PRO 47 HA PRO 47 -11.381 12.770 -11.199 367 HB2 PRO 47 2HB PRO 47 -11.677 15.126 -12.625 368 HB3 PRO 47 3HB PRO 47 -10.244 14.056 -12.692 369 HG2 PRO 47 2HG PRO 47 -12.612 14.107 -14.590 370 HG3 PRO 47 3HG PRO 47 -10.860 14.094 -14.994 371 HD2 PRO 47 2HD PRO 47 -12.300 11.823 -15.039 372 HD3 PRO 47 3HD PRO 47 -10.637 11.831 -14.377 373 H GLN 48 H GLN 48 -14.407 12.590 -12.911 374 HA GLN 48 HA GLN 48 -15.963 14.478 -11.461 375 HB2 GLN 48 2HB GLN 48 -16.603 13.432 -13.601 376 HB3 GLN 48 3HB GLN 48 -16.711 11.857 -12.820 377 HG2 GLN 48 2HG GLN 48 -18.923 12.788 -13.204 378 HG3 GLN 48 3HG GLN 48 -18.637 12.615 -11.482 379 HE21 GLN 48 2HE2 GLN 48 -18.224 14.619 -10.214 380 HE22 GLN 48 1HE2 GLN 48 -18.810 16.157 -10.856 381 H LEU 49 H LEU 49 -14.838 11.196 -10.487 382 HA LEU 49 HA LEU 49 -16.600 10.836 -8.249 383 HB2 LEU 49 2HB LEU 49 -13.685 10.104 -8.792 384 HB3 LEU 49 3HB LEU 49 -14.567 9.518 -7.395 385 HG LEU 49 HG LEU 49 -15.398 8.921 -10.266 386 HD11 LEU 49 1HD1 LEU 49 -13.837 7.342 -8.189 387 HD12 LEU 49 2HD1 LEU 49 -14.416 6.695 -9.744 388 HD13 LEU 49 3HD1 LEU 49 -13.199 8.001 -9.699 389 HD21 LEU 49 3HD2 LEU 49 -17.263 8.767 -8.671 390 HD22 LEU 49 1HD2 LEU 49 -16.735 7.138 -9.121 391 HD23 LEU 49 2HD2 LEU 49 -16.257 7.827 -7.547 392 H GLY 50 H GLY 50 -13.849 13.008 -8.649 393 HA2 GLY 50 2HA GLY 50 -12.491 14.115 -7.125 394 HA3 GLY 50 3HA GLY 50 -13.629 13.749 -5.825 395 H MET 51 H MET 51 -12.100 12.992 -4.442 396 HA MET 51 HA MET 51 -9.912 11.338 -5.036 397 HB2 MET 51 2HB MET 51 -10.946 11.902 -2.254 398 HB3 MET 51 3HB MET 51 -9.301 11.551 -2.778 399 HG2 MET 51 2HG MET 51 -9.634 13.767 -4.225 400 HG3 MET 51 3HG MET 51 -10.914 14.086 -3.060 401 HE1 MET 51 3HE MET 51 -7.222 12.682 -3.029 402 HE2 MET 51 1HE MET 51 -7.300 14.169 -3.996 403 HE3 MET 51 2HE MET 51 -6.374 14.152 -2.478 404 H ILE 52 H ILE 52 -9.394 9.276 -4.466 405 HA ILE 52 HA ILE 52 -11.412 7.516 -3.304 406 HB ILE 52 HB ILE 52 -11.024 5.799 -5.186 407 HG12 ILE 52 2HG1 ILE 52 -10.950 6.766 -7.479 408 HG13 ILE 52 3HG1 ILE 52 -10.347 8.288 -6.823 409 HG21 ILE 52 1HG2 ILE 52 -12.946 6.480 -6.339 410 HG22 ILE 52 2HG2 ILE 52 -13.132 7.010 -4.659 411 HG23 ILE 52 3HG2 ILE 52 -12.700 8.199 -5.932 412 HD11 ILE 52 3HD1 ILE 52 -8.257 7.187 -6.182 413 HD12 ILE 52 1HD1 ILE 52 -8.963 5.589 -6.561 414 HD13 ILE 52 2HD1 ILE 52 -8.630 6.769 -7.847 415 H ASP 53 H ASP 53 -10.610 5.499 -2.621 416 HA ASP 53 HA ASP 53 -7.688 5.441 -2.043 417 HB2 ASP 53 2HB ASP 53 -10.042 3.909 -0.886 418 HB3 ASP 53 3HB ASP 53 -8.363 3.520 -0.547 419 H ARG 54 H ARG 54 -6.935 4.927 -4.051 420 HA ARG 54 HA ARG 54 -7.893 2.632 -5.605 421 HB2 ARG 54 2HB ARG 54 -6.830 4.955 -6.326 422 HB3 ARG 54 3HB ARG 54 -5.304 4.124 -6.127 423 HG2 ARG 54 2HG ARG 54 -5.564 2.843 -7.978 424 HG3 ARG 54 3HG ARG 54 -7.300 2.641 -7.765 425 HD2 ARG 54 2HD ARG 54 -7.870 4.445 -9.016 426 HD3 ARG 54 3HD ARG 54 -6.564 5.441 -8.412 427 HE ARG 54 HE ARG 54 -5.043 3.947 -9.907 428 HH11 ARG 54 1HH2 ARG 54 -8.227 5.186 -10.986 429 HH12 ARG 54 2HH2 ARG 54 -7.737 4.868 -12.656 430 HH21 ARG 54 1HH1 ARG 54 -4.680 3.716 -12.134 431 HH22 ARG 54 2HH1 ARG 54 -5.998 4.162 -13.220 432 H TRP 55 H TRP 55 -7.190 0.536 -5.376 433 HA TRP 55 HA TRP 55 -5.093 0.028 -3.384 434 HB2 TRP 55 2HB TRP 55 -7.092 -1.835 -4.673 435 HB3 TRP 55 3HB TRP 55 -5.934 -2.288 -3.431 436 HD1 TRP 55 HD1 TRP 55 -9.260 -0.572 -3.885 437 HE1 TRP 55 HE1 TRP 55 -10.280 0.046 -1.623 438 HE3 TRP 55 HE3 TRP 55 -5.261 -1.641 -0.861 439 HZ2 TRP 55 HZ2 TRP 55 -9.446 0.171 1.133 440 HZ3 TRP 55 HZ3 TRP 55 -5.363 -1.129 1.569 441 HH2 TRP 55 HH2 TRP 55 -7.451 -0.241 2.577 442 H TYR 56 H TYR 56 -3.461 -1.458 -3.551 443 HA TYR 56 HA TYR 56 -2.359 -2.355 -6.143 444 HB2 TYR 56 2HB TYR 56 -0.924 -0.618 -4.085 445 HB3 TYR 56 3HB TYR 56 -0.203 -1.300 -5.536 446 HD1 TYR 56 HD2 TYR 56 -0.817 -0.439 -7.764 447 HD2 TYR 56 HD1 TYR 56 -2.310 1.409 -4.191 448 HE1 TYR 56 HE2 TYR 56 -1.582 1.528 -9.111 449 HE2 TYR 56 HE1 TYR 56 -3.068 3.368 -5.516 450 HH TYR 56 HH TYR 56 -3.230 4.311 -7.593 451 H HIS 57 H HIS 57 -0.822 -4.053 -5.917 452 HA HIS 57 HA HIS 57 -0.878 -5.711 -3.513 453 HB2 HIS 57 2HB HIS 57 0.877 -5.881 -5.959 454 HB3 HIS 57 3HB HIS 57 0.964 -7.017 -4.649 455 HD2 HIS 57 HD2 HIS 57 -1.476 -8.344 -4.042 456 HE1 HIS 57 HE1 HIS 57 -2.718 -8.361 -8.107 457 HE2 HIS 57 HE2 HIS 57 -3.062 -9.434 -5.850 458 HA PRO 58 HA PRO 58 2.827 -4.254 -1.320 459 HB2 PRO 58 2HB PRO 58 3.579 -7.171 -1.240 460 HB3 PRO 58 3HB PRO 58 3.627 -5.955 0.078 461 HG2 PRO 58 2HG PRO 58 1.567 -7.685 -0.031 462 HG3 PRO 58 3HG PRO 58 1.229 -5.941 0.242 463 HD2 PRO 58 2HD PRO 58 1.078 -7.497 -2.357 464 HD3 PRO 58 3HD PRO 58 -0.117 -6.370 -1.647 465 H GLY 59 H GLY 59 3.341 -6.415 -4.082 466 HA2 GLY 59 2HA GLY 59 6.148 -5.554 -4.454 467 HA3 GLY 59 3HA GLY 59 5.185 -6.557 -5.543 468 H CYS 60 HN CYS 60 2.990 -5.021 -6.105 469 HA CYS 60 HA CYS 60 4.020 -3.414 -8.123 470 HB2 CYS 60 2HB CYS 60 1.176 -3.488 -7.060 471 HB3 CYS 60 3HB CYS 60 1.686 -3.023 -8.689 472 H PHE 61 H PHE 61 2.524 -2.378 -5.018 473 HA PHE 61 HA PHE 61 2.387 0.376 -5.739 474 HB2 PHE 61 2HB PHE 61 1.605 0.729 -3.691 475 HB3 PHE 61 3HB PHE 61 1.475 -1.021 -3.640 476 HD1 PHE 61 HD1 PHE 61 3.334 -2.347 -2.570 477 HD2 PHE 61 HD2 PHE 61 3.131 1.920 -2.305 478 HE1 PHE 61 HE1 PHE 61 4.753 -2.427 -0.508 479 HE2 PHE 61 HE2 PHE 61 4.545 1.868 -0.231 480 HZ PHE 61 HZ PHE 61 5.343 -0.313 0.665 481 H VAL 62 H VAL 62 5.099 -1.531 -4.429 482 HA VAL 62 HA VAL 62 6.974 0.664 -4.300 483 HB VAL 62 HB VAL 62 7.636 -2.267 -4.694 484 HG11 VAL 62 1HG1 VAL 62 9.266 0.073 -3.601 485 HG12 VAL 62 2HG1 VAL 62 9.780 -1.627 -3.619 486 HG13 VAL 62 3HG1 VAL 62 9.550 -0.770 -5.142 487 HG21 VAL 62 3HG2 VAL 62 7.969 -2.282 -2.225 488 HG22 VAL 62 1HG2 VAL 62 7.280 -0.643 -2.133 489 HG23 VAL 62 2HG2 VAL 62 6.295 -2.022 -2.673 490 H LYS 63 H LYS 63 6.171 -1.663 -6.911 491 HA LYS 63 HA LYS 63 8.133 -0.882 -8.773 492 HB2 LYS 63 2HB LYS 63 6.707 -2.881 -8.981 493 HB3 LYS 63 3HB LYS 63 5.287 -1.865 -9.219 494 HG2 LYS 63 2HG LYS 63 6.190 -1.032 -11.358 495 HG3 LYS 63 3HG LYS 63 7.636 -2.021 -11.125 496 HD2 LYS 63 2HD LYS 63 6.080 -3.110 -12.666 497 HD3 LYS 63 3HD LYS 63 6.288 -4.066 -11.207 498 HE2 LYS 63 2HE LYS 63 3.973 -4.109 -11.912 499 HE3 LYS 63 3HE LYS 63 4.098 -3.315 -10.346 500 HZ1 LYS 63 3HZ LYS 63 3.731 -1.198 -11.386 501 HZ2 LYS 63 1HZ LYS 63 3.939 -1.808 -12.905 502 HZ3 LYS 63 2HZ LYS 63 2.623 -2.195 -12.022 503 H ASN 64 H ASN 64 5.076 0.744 -8.058 504 HA ASN 64 HA ASN 64 5.812 2.948 -9.935 505 HB2 ASN 64 2HB ASN 64 3.146 3.343 -9.608 506 HB3 ASN 64 3HB ASN 64 3.923 2.543 -10.945 507 HD21 ASN 64 1HD2 ASN 64 2.162 1.874 -7.870 508 HD22 ASN 64 2HD2 ASN 64 1.654 0.293 -8.459 509 H ARG 65 H ARG 65 6.522 2.500 -6.892 510 HA ARG 65 HA ARG 65 5.080 4.268 -5.379 511 HB2 ARG 65 2HB ARG 65 6.673 4.159 -3.763 512 HB3 ARG 65 3HB ARG 65 7.038 2.731 -4.673 513 HG2 ARG 65 2HG ARG 65 8.562 5.373 -4.922 514 HG3 ARG 65 3HG ARG 65 9.017 4.060 -3.853 515 HD2 ARG 65 2HD ARG 65 9.497 2.566 -5.627 516 HD3 ARG 65 3HD ARG 65 8.656 3.564 -6.808 517 HE ARG 65 HE ARG 65 10.583 4.782 -7.169 518 HH11 ARG 65 1HH2 ARG 65 11.167 3.054 -4.166 519 HH12 ARG 65 2HH2 ARG 65 12.837 3.551 -4.153 520 HH21 ARG 65 1HH1 ARG 65 12.555 5.291 -7.133 521 HH22 ARG 65 2HH1 ARG 65 13.641 4.825 -5.820 522 H GLU 66 H GLU 66 7.782 5.227 -7.471 523 HA GLU 66 HA GLU 66 7.643 7.960 -6.560 524 HB2 GLU 66 2HB GLU 66 9.379 8.427 -8.217 525 HB3 GLU 66 3HB GLU 66 9.745 7.069 -7.160 526 HG2 GLU 66 2HG GLU 66 8.961 5.520 -9.047 527 HG3 GLU 66 3HG GLU 66 8.893 6.952 -10.081 528 H GLU 67 H GLU 67 6.045 6.200 -9.067 529 HA GLU 67 HA GLU 67 4.957 8.508 -10.475 530 HB2 GLU 67 2HB GLU 67 5.334 6.311 -11.554 531 HB3 GLU 67 3HB GLU 67 4.078 5.606 -10.529 532 HG2 GLU 67 2HG GLU 67 2.393 7.103 -11.500 533 HG3 GLU 67 3HG GLU 67 3.637 7.945 -12.430 534 H LEU 68 H LEU 68 3.884 6.241 -7.907 535 HA LEU 68 HA LEU 68 1.380 7.585 -7.329 536 HB2 LEU 68 2HB LEU 68 3.146 5.772 -5.635 537 HB3 LEU 68 3HB LEU 68 1.522 6.274 -5.196 538 HG LEU 68 HG LEU 68 2.214 4.575 -7.631 539 HD11 LEU 68 1HD1 LEU 68 1.112 2.759 -6.323 540 HD12 LEU 68 2HD1 LEU 68 2.597 3.357 -5.548 541 HD13 LEU 68 3HD1 LEU 68 1.004 3.850 -4.935 542 HD21 LEU 68 3HD2 LEU 68 -0.512 5.180 -6.437 543 HD22 LEU 68 1HD2 LEU 68 0.122 5.901 -7.941 544 HD23 LEU 68 2HD2 LEU 68 -0.145 4.165 -7.845 545 H GLY 69 H GLY 69 4.686 8.382 -6.523 546 HA2 GLY 69 2HA GLY 69 5.162 10.699 -6.070 547 HA3 GLY 69 3HA GLY 69 3.639 10.863 -5.205 548 H PHE 70 H PHE 70 5.342 7.975 -4.382 549 HA PHE 70 HA PHE 70 6.138 8.774 -1.725 550 HB2 PHE 70 2HB PHE 70 6.988 6.527 -3.580 551 HB3 PHE 70 3HB PHE 70 7.738 6.770 -2.030 552 HD1 PHE 70 HD2 PHE 70 4.611 5.676 -3.682 553 HD2 PHE 70 HD1 PHE 70 6.655 6.349 0.033 554 HE1 PHE 70 HE2 PHE 70 2.891 4.327 -2.496 555 HE2 PHE 70 HE1 PHE 70 5.019 4.929 1.213 556 HZ PHE 70 HZ PHE 70 3.091 3.940 -0.051 557 H ARG 71 H ARG 71 7.995 9.544 -0.977 558 HA ARG 71 HA ARG 71 10.431 9.689 -2.600 559 HB2 ARG 71 2HB ARG 71 9.360 12.087 -1.039 560 HB3 ARG 71 3HB ARG 71 10.931 12.005 -1.820 561 HG2 ARG 71 2HG ARG 71 8.247 11.941 -3.274 562 HG3 ARG 71 3HG ARG 71 9.288 13.344 -3.086 563 HD2 ARG 71 2HD ARG 71 11.076 12.251 -4.364 564 HD3 ARG 71 3HD ARG 71 10.107 10.804 -4.567 565 HE ARG 71 HE ARG 71 9.727 13.435 -5.876 566 HH11 ARG 71 1HH2 ARG 71 8.360 10.206 -5.555 567 HH12 ARG 71 2HH2 ARG 71 7.515 10.349 -7.097 568 HH21 ARG 71 1HH1 ARG 71 8.560 13.528 -7.751 569 HH22 ARG 71 2HH1 ARG 71 7.590 12.170 -8.242 570 HA PRO 72 HA PRO 72 12.139 7.749 0.758 571 HB2 PRO 72 2HB PRO 72 14.376 9.765 0.946 572 HB3 PRO 72 3HB PRO 72 14.464 7.973 0.883 573 HG2 PRO 72 2HG PRO 72 14.948 9.422 -1.342 574 HG3 PRO 72 3HG PRO 72 13.902 7.963 -1.445 575 HD2 PRO 72 2HD PRO 72 13.067 10.870 -1.267 576 HD3 PRO 72 3HD PRO 72 12.471 9.583 -2.353 577 H GLU 73 H GLU 73 11.704 11.167 1.464 578 HA GLU 73 HA GLU 73 12.078 10.958 4.328 579 HB2 GLU 73 2HB GLU 73 11.272 13.229 4.403 580 HB3 GLU 73 3HB GLU 73 12.420 13.038 3.080 581 HG2 GLU 73 2HG GLU 73 10.486 12.866 1.473 582 HG3 GLU 73 3HG GLU 73 9.382 13.150 2.820 583 H TYR 74 H TYR 74 9.407 9.978 2.360 584 HA TYR 74 HA TYR 74 7.865 9.393 4.786 585 HB2 TYR 74 2HB TYR 74 5.740 10.303 3.751 586 HB3 TYR 74 3HB TYR 74 6.867 11.390 4.504 587 HD1 TYR 74 HD1 TYR 74 6.905 10.090 0.932 588 HD2 TYR 74 HD2 TYR 74 6.462 13.458 3.592 589 HE1 TYR 74 HE1 TYR 74 6.736 11.615 -1.022 590 HE2 TYR 74 HE2 TYR 74 6.331 14.981 1.631 591 HH TYR 74 HH TYR 74 6.472 13.767 -1.740 592 H SER 75 H SER 75 9.045 7.467 3.876 593 HA SER 75 HA SER 75 7.916 6.050 1.645 594 HB2 SER 75 2HB SER 75 9.821 5.184 3.811 595 HB3 SER 75 3HB SER 75 9.518 4.341 2.277 596 HG SER 75 HG SER 75 11.367 5.749 2.245 597 H ALA 76 H ALA 76 7.866 3.381 2.548 598 HA ALA 76 HA ALA 76 5.153 2.985 2.923 599 HB1 ALA 76 1HB ALA 76 7.412 1.057 3.585 600 HB2 ALA 76 2HB ALA 76 5.733 0.654 3.172 601 HB3 ALA 76 3HB ALA 76 6.778 1.392 1.953 602 H SER 77 H SER 77 7.286 3.846 5.485 603 HA SER 77 HA SER 77 5.815 2.640 7.678 604 HB2 SER 77 2HB SER 77 7.349 4.131 9.014 605 HB3 SER 77 3HB SER 77 8.161 3.015 7.905 606 HG SER 77 HG SER 77 7.883 5.803 7.748 607 H GLN 78 H GLN 78 5.192 5.479 5.718 608 HA GLN 78 HA GLN 78 3.707 6.802 7.890 609 HB2 GLN 78 2HB GLN 78 4.388 7.953 5.181 610 HB3 GLN 78 3HB GLN 78 3.877 8.801 6.637 611 HG2 GLN 78 2HG GLN 78 6.572 7.536 6.053 612 HG3 GLN 78 3HG GLN 78 6.188 9.234 6.320 613 HE21 GLN 78 2HE2 GLN 78 5.084 9.594 8.709 614 HE22 GLN 78 1HE2 GLN 78 6.072 8.833 9.935 615 H LEU 79 H LEU 79 2.711 4.407 6.311 616 HA LEU 79 HA LEU 79 0.369 5.486 4.879 617 HB2 LEU 79 2HB LEU 79 1.569 2.717 5.186 618 HB3 LEU 79 3HB LEU 79 0.006 2.983 4.442 619 HG LEU 79 HG LEU 79 0.985 4.204 2.574 620 HD11 LEU 79 1HD1 LEU 79 3.575 3.999 4.075 621 HD12 LEU 79 2HD1 LEU 79 3.381 4.483 2.370 622 HD13 LEU 79 3HD1 LEU 79 2.695 5.457 3.656 623 HD21 LEU 79 3HD2 LEU 79 2.532 1.688 3.221 624 HD22 LEU 79 1HD2 LEU 79 0.972 1.829 2.362 625 HD23 LEU 79 2HD2 LEU 79 2.433 2.472 1.627 626 H LYS 80 H LYS 80 -1.703 5.172 5.360 627 HA LYS 80 HA LYS 80 -2.594 5.199 8.055 628 HB2 LYS 80 2HB LYS 80 -4.235 4.279 5.641 629 HB3 LYS 80 3HB LYS 80 -4.879 4.721 7.211 630 HG2 LYS 80 2HG LYS 80 -4.052 7.014 6.924 631 HG3 LYS 80 3HG LYS 80 -3.441 6.599 5.307 632 HD2 LYS 80 2HD LYS 80 -6.363 6.518 6.193 633 HD3 LYS 80 3HD LYS 80 -5.601 7.833 5.292 634 HE2 LYS 80 2HE LYS 80 -5.070 6.223 3.443 635 HE3 LYS 80 3HE LYS 80 -5.953 4.967 4.328 636 HZ1 LYS 80 3HZ LYS 80 -7.963 6.297 4.120 637 HZ2 LYS 80 1HZ LYS 80 -7.164 7.495 3.348 638 HZ3 LYS 80 2HZ LYS 80 -7.349 6.040 2.626 639 H GLY 81 H GLY 81 -2.662 3.605 9.566 640 HA2 GLY 81 2HA GLY 81 -3.081 1.557 10.550 641 HA3 GLY 81 3HA GLY 81 -3.692 0.957 9.012 642 H PHE 82 H PHE 82 -0.422 2.067 8.652 643 HA PHE 82 HA PHE 82 0.634 -0.497 8.013 644 HB2 PHE 82 2HB PHE 82 1.738 1.385 7.121 645 HB3 PHE 82 3HB PHE 82 1.770 2.228 8.657 646 HD1 PHE 82 HD1 PHE 82 3.528 -0.334 6.610 647 HD2 PHE 82 HD2 PHE 82 3.472 1.898 10.300 648 HE1 PHE 82 HE1 PHE 82 5.885 -0.961 7.034 649 HE2 PHE 82 HE2 PHE 82 5.825 1.224 10.739 650 HZ PHE 82 HZ PHE 82 7.030 -0.208 9.098 651 H SER 83 H SER 83 0.727 1.361 11.048 652 HA SER 83 HA SER 83 2.449 -0.309 12.557 653 HB2 SER 83 2HB SER 83 1.413 0.893 14.481 654 HB3 SER 83 3HB SER 83 1.889 1.978 13.150 655 HG SER 83 HG SER 83 -0.224 2.438 13.964 656 H LEU 84 H LEU 84 -0.963 -0.710 11.783 657 HA LEU 84 HA LEU 84 -1.545 -2.573 13.903 658 HB2 LEU 84 2HB LEU 84 -3.021 -0.839 12.450 659 HB3 LEU 84 3HB LEU 84 -3.212 -2.241 11.410 660 HG LEU 84 HG LEU 84 -4.103 -3.506 13.447 661 HD11 LEU 84 1HD1 LEU 84 -4.003 -0.695 14.643 662 HD12 LEU 84 2HD1 LEU 84 -4.900 -2.068 15.341 663 HD13 LEU 84 3HD1 LEU 84 -3.136 -2.117 15.247 664 HD21 LEU 84 3HD2 LEU 84 -5.535 -0.939 12.637 665 HD22 LEU 84 1HD2 LEU 84 -5.588 -2.484 11.760 666 HD23 LEU 84 2HD2 LEU 84 -6.293 -2.368 13.381 667 H LEU 85 H LEU 85 0.065 -2.990 10.926 668 HA LEU 85 HA LEU 85 -0.729 -5.733 10.329 669 HB2 LEU 85 2HB LEU 85 1.799 -4.185 9.665 670 HB3 LEU 85 3HB LEU 85 1.345 -5.715 8.945 671 HG LEU 85 HG LEU 85 -0.313 -3.171 8.630 672 HD11 LEU 85 1HD1 LEU 85 0.688 -3.026 6.388 673 HD12 LEU 85 2HD1 LEU 85 1.936 -2.898 7.636 674 HD13 LEU 85 3HD1 LEU 85 1.729 -4.423 6.745 675 HD21 LEU 85 3HD2 LEU 85 -0.328 -5.819 7.172 676 HD22 LEU 85 1HD2 LEU 85 -1.612 -5.193 8.233 677 HD23 LEU 85 2HD2 LEU 85 -1.251 -4.388 6.692 678 H ALA 86 H ALA 86 0.796 -7.608 10.506 679 HA ALA 86 HA ALA 86 2.082 -7.956 13.065 680 HB1 ALA 86 1HB ALA 86 2.281 -9.470 10.428 681 HB2 ALA 86 2HB ALA 86 3.036 -9.998 11.951 682 HB3 ALA 86 3HB ALA 86 1.275 -9.879 11.837 683 H THR 87 H THR 87 4.267 -7.891 13.611 684 HA THR 87 HA THR 87 5.770 -5.756 12.652 685 HB THR 87 HB THR 87 6.865 -8.213 14.046 686 HG1 THR 87 1HG THR 87 6.256 -7.124 15.931 687 HG21 THR 87 1HG2 THR 87 8.383 -6.563 15.153 688 HG22 THR 87 2HG2 THR 87 8.644 -6.618 13.408 689 HG23 THR 87 3HG2 THR 87 7.722 -5.276 14.120 690 H GLU 88 H GLU 88 6.052 -9.183 11.643 691 HA GLU 88 HA GLU 88 8.396 -8.850 10.040 692 HB2 GLU 88 2HB GLU 88 7.814 -10.964 9.035 693 HB3 GLU 88 3HB GLU 88 7.585 -11.023 10.782 694 HG2 GLU 88 2HG GLU 88 5.110 -10.690 10.424 695 HG3 GLU 88 3HG GLU 88 5.389 -10.758 8.681 696 H ASP 89 H ASP 89 5.020 -8.042 9.335 697 HA ASP 89 HA ASP 89 5.580 -7.576 6.466 698 HB2 ASP 89 2HB ASP 89 3.114 -7.150 8.178 699 HB3 ASP 89 3HB ASP 89 3.233 -6.653 6.494 700 H LYS 90 H LYS 90 5.162 -5.625 9.444 701 HA LYS 90 HA LYS 90 5.525 -3.043 8.198 702 HB2 LYS 90 2HB LYS 90 6.045 -4.103 10.997 703 HB3 LYS 90 3HB LYS 90 6.466 -2.451 10.556 704 HG2 LYS 90 2HG LYS 90 4.348 -1.723 10.627 705 HG3 LYS 90 3HG LYS 90 3.765 -3.060 9.653 706 HD2 LYS 90 2HD LYS 90 2.617 -3.133 11.730 707 HD3 LYS 90 3HD LYS 90 3.718 -4.504 11.673 708 HE2 LYS 90 2HE LYS 90 5.279 -3.358 13.180 709 HE3 LYS 90 3HE LYS 90 4.278 -1.895 13.133 710 HZ1 LYS 90 3HZ LYS 90 3.826 -3.282 15.117 711 HZ2 LYS 90 1HZ LYS 90 2.488 -3.105 14.184 712 HZ3 LYS 90 2HZ LYS 90 3.313 -4.512 14.161 713 H GLU 91 H GLU 91 7.919 -5.400 9.406 714 HA GLU 91 HA GLU 91 10.222 -3.832 8.612 715 HB2 GLU 91 2HB GLU 91 9.846 -6.815 9.065 716 HB3 GLU 91 3HB GLU 91 11.398 -6.074 8.683 717 HG2 GLU 91 2HG GLU 91 9.706 -5.381 11.124 718 HG3 GLU 91 3HG GLU 91 11.060 -6.501 11.115 719 H ALA 92 H ALA 92 8.464 -6.506 6.886 720 HA ALA 92 HA ALA 92 10.146 -6.474 4.624 721 HB1 ALA 92 1HB ALA 92 7.221 -7.249 4.843 722 HB2 ALA 92 2HB ALA 92 8.334 -7.719 3.537 723 HB3 ALA 92 3HB ALA 92 8.624 -8.292 5.192 724 H LEU 93 H LEU 93 7.245 -4.432 5.204 725 HA LEU 93 HA LEU 93 7.186 -3.298 2.542 726 HB2 LEU 93 2HB LEU 93 6.136 -2.390 5.245 727 HB3 LEU 93 3HB LEU 93 5.853 -1.487 3.762 728 HG LEU 93 HG LEU 93 4.946 -4.370 4.162 729 HD11 LEU 93 1HD1 LEU 93 3.393 -1.755 4.382 730 HD12 LEU 93 2HD1 LEU 93 2.708 -3.392 4.478 731 HD13 LEU 93 3HD1 LEU 93 3.826 -2.835 5.730 732 HD21 LEU 93 3HD2 LEU 93 4.210 -2.301 2.054 733 HD22 LEU 93 1HD2 LEU 93 5.180 -3.768 1.786 734 HD23 LEU 93 2HD2 LEU 93 3.480 -3.912 2.239 735 H LYS 94 H LYS 94 8.751 -2.210 5.600 736 HA LYS 94 HA LYS 94 10.022 0.124 4.439 737 HB2 LYS 94 2HB LYS 94 10.711 -1.592 6.849 738 HB3 LYS 94 3HB LYS 94 11.569 -0.107 6.422 739 HG2 LYS 94 2HG LYS 94 9.486 1.205 6.628 740 HG3 LYS 94 3HG LYS 94 8.598 -0.246 7.094 741 HD2 LYS 94 2HD LYS 94 10.932 1.007 8.615 742 HD3 LYS 94 3HD LYS 94 9.223 1.100 9.071 743 HE2 LYS 94 2HE LYS 94 9.149 -1.367 9.344 744 HE3 LYS 94 3HE LYS 94 10.837 -1.481 8.851 745 HZ1 LYS 94 3HZ LYS 94 9.859 -0.190 11.328 746 HZ2 LYS 94 1HZ LYS 94 10.743 -1.574 11.177 747 HZ3 LYS 94 2HZ LYS 94 11.417 -0.132 10.813 748 H LYS 95 H LYS 95 11.080 -3.287 4.768 749 HA LYS 95 HA LYS 95 13.736 -2.867 3.884 750 HB2 LYS 95 2HB LYS 95 11.926 -5.293 3.859 751 HB3 LYS 95 3HB LYS 95 13.552 -5.372 3.173 752 HG2 LYS 95 2HG LYS 95 14.596 -4.772 5.258 753 HG3 LYS 95 3HG LYS 95 13.055 -4.378 6.006 754 HD2 LYS 95 2HD LYS 95 13.811 -6.509 6.839 755 HD3 LYS 95 3HD LYS 95 12.358 -6.761 5.860 756 HE2 LYS 95 2HE LYS 95 13.764 -7.484 3.946 757 HE3 LYS 95 3HE LYS 95 15.227 -7.162 4.885 758 HZ1 LYS 95 3HZ LYS 95 14.639 -9.516 4.944 759 HZ2 LYS 95 1HZ LYS 95 14.529 -8.897 6.448 760 HZ3 LYS 95 2HZ LYS 95 13.173 -9.197 5.583 761 H GLN 96 H GLN 96 10.849 -2.997 1.981 762 HA GLN 96 HA GLN 96 12.337 -3.050 -0.596 763 HB2 GLN 96 2HB GLN 96 9.376 -3.058 0.089 764 HB3 GLN 96 3HB GLN 96 10.032 -3.059 -1.554 765 HG2 GLN 96 2HG GLN 96 11.053 -5.217 -1.271 766 HG3 GLN 96 3HG GLN 96 10.724 -5.235 0.462 767 HE21 GLN 96 2HE2 GLN 96 8.489 -5.406 1.199 768 HE22 GLN 96 1HE2 GLN 96 7.291 -6.152 0.130 769 H LEU 97 H LEU 97 10.508 -0.819 1.485 770 HA LEU 97 HA LEU 97 11.452 1.503 -0.098 771 HB2 LEU 97 2HB LEU 97 9.342 0.780 -1.062 772 HB3 LEU 97 3HB LEU 97 8.556 0.794 0.509 773 HG LEU 97 HG LEU 97 8.591 3.202 0.603 774 HD11 LEU 97 1HD1 LEU 97 10.782 3.748 -0.319 775 HD12 LEU 97 2HD1 LEU 97 10.310 3.104 -1.908 776 HD13 LEU 97 3HD1 LEU 97 9.540 4.574 -1.260 777 HD21 LEU 97 3HD2 LEU 97 7.283 3.730 -1.407 778 HD22 LEU 97 1HD2 LEU 97 7.885 2.261 -2.204 779 HD23 LEU 97 2HD2 LEU 97 6.854 2.138 -0.767 780 HA PRO 98 HA PRO 98 11.606 2.203 4.439 781 HB2 PRO 98 2HB PRO 98 14.326 2.623 4.730 782 HB3 PRO 98 3HB PRO 98 13.527 1.034 4.730 783 HG2 PRO 98 2HG PRO 98 15.244 2.222 2.641 784 HG3 PRO 98 3HG PRO 98 14.705 0.527 2.849 785 HD2 PRO 98 2HD PRO 98 13.631 2.595 1.079 786 HD3 PRO 98 3HD PRO 98 13.262 0.851 1.146 787 H GLY 99 H GLY 99 11.884 4.032 5.803 788 HA2 GLY 99 2HA GLY 99 11.860 6.658 4.564 789 HA3 GLY 99 3HA GLY 99 11.570 6.263 6.259 790 H VAL 100 H VAL 100 13.538 7.859 4.410 791 HA VAL 100 HA VAL 100 16.156 6.908 5.049 792 HB VAL 100 HB VAL 100 15.469 8.120 2.991 793 HG11 VAL 100 1HG1 VAL 100 15.817 10.666 4.625 794 HG12 VAL 100 2HG1 VAL 100 15.450 10.534 2.898 795 HG13 VAL 100 3HG1 VAL 100 14.255 10.012 4.103 796 HG21 VAL 100 3HG2 VAL 100 17.887 9.353 4.335 797 HG22 VAL 100 1HG2 VAL 100 17.840 7.725 3.599 798 HG23 VAL 100 2HG2 VAL 100 17.581 9.166 2.604 799 H LYS 101 H LYS 101 17.684 7.552 6.382 800 HA LYS 101 HA LYS 101 17.204 9.791 8.321 801 HB2 LYS 101 2HB LYS 101 18.205 8.544 10.099 802 HB3 LYS 101 3HB LYS 101 16.888 7.610 9.395 803 HG2 LYS 101 2HG LYS 101 18.575 6.240 8.123 804 HG3 LYS 101 3HG LYS 101 19.868 7.192 8.861 805 HD2 LYS 101 2HD LYS 101 19.693 5.119 10.047 806 HD3 LYS 101 3HD LYS 101 19.136 6.413 11.118 807 HE2 LYS 101 2HE LYS 101 16.776 5.828 10.605 808 HE3 LYS 101 3HE LYS 101 17.321 4.586 9.471 809 HZ1 LYS 101 3HZ LYS 101 18.358 3.423 11.348 810 HZ2 LYS 101 1HZ LYS 101 17.853 4.573 12.397 811 HZ3 LYS 101 2HZ LYS 101 16.766 3.629 11.630 812 H SER 102 H SER 102 19.149 8.941 5.810 813 HA SER 102 HA SER 102 21.213 9.508 5.046 814 HB2 SER 102 2HB SER 102 20.551 12.076 6.514 815 HB3 SER 102 3HB SER 102 21.665 11.896 5.143 816 HG SER 102 HG SER 102 19.576 12.584 4.478 817 H GLU 103 H GLU 103 21.542 7.978 7.370 818 HA GLU 103 HA GLU 103 22.899 7.367 9.063 819 HB2 GLU 103 2HB GLU 103 24.924 8.830 7.353 820 HB3 GLU 103 3HB GLU 103 25.367 7.919 8.801 821 HG2 GLU 103 2HG GLU 103 24.482 5.878 7.939 822 HG3 GLU 103 3HG GLU 103 23.741 6.688 6.560 823 H GLY 104 H GLY 104 21.645 10.247 9.225 824 HA2 GLY 104 2HA GLY 104 23.271 11.757 11.012 825 HA3 GLY 104 3HA GLY 104 21.543 11.969 10.707 826 H LYS 105 H LYS 105 21.828 8.842 11.760 827 HA LYS 105 HA LYS 105 21.551 9.583 14.644 828 HB2 LYS 105 2HB LYS 105 19.603 8.387 13.597 829 HB3 LYS 105 3HB LYS 105 20.658 7.003 13.304 830 HG2 LYS 105 2HG LYS 105 19.361 6.574 15.296 831 HG3 LYS 105 3HG LYS 105 21.038 6.804 15.776 832 HD2 LYS 105 2HD LYS 105 20.386 9.258 16.304 833 HD3 LYS 105 3HD LYS 105 18.709 8.748 16.087 834 HE2 LYS 105 2HE LYS 105 18.984 7.110 17.930 835 HE3 LYS 105 3HE LYS 105 20.709 7.508 18.029 836 HZ1 LYS 105 3HZ LYS 105 18.466 9.327 18.683 837 HZ2 LYS 105 1HZ LYS 105 19.635 8.789 19.708 838 HZ3 LYS 105 2HZ LYS 105 20.014 9.838 18.517 839 H ARG 106 H ARG 106 23.408 7.513 12.455 840 HA ARG 106 HA ARG 106 25.089 6.476 14.636 841 HB2 ARG 106 2HB ARG 106 24.721 5.066 12.676 842 HB3 ARG 106 3HB ARG 106 25.339 6.321 11.602 843 HG2 ARG 106 2HG ARG 106 26.997 4.551 11.917 844 HG3 ARG 106 3HG ARG 106 27.595 6.084 12.530 845 HD2 ARG 106 2HD ARG 106 26.841 5.260 14.879 846 HD3 ARG 106 3HD ARG 106 26.590 3.695 14.122 847 HE ARG 106 HE ARG 106 28.911 3.402 13.926 848 HH11 ARG 106 1HH2 ARG 106 28.351 6.702 14.991 849 HH12 ARG 106 2HH2 ARG 106 29.959 6.907 15.604 850 HH21 ARG 106 1HH1 ARG 106 31.001 3.736 14.657 851 HH22 ARG 106 2HH1 ARG 106 31.426 5.268 15.371 852 H LYS 107 H LYS 107 25.255 9.119 12.288 853 HA LYS 107 HA LYS 107 27.891 9.996 13.426 854 HB2 LYS 107 2HB LYS 107 26.626 10.416 10.691 855 HB3 LYS 107 3HB LYS 107 28.111 11.214 11.231 856 HG2 LYS 107 2HG LYS 107 29.269 9.101 11.478 857 HG3 LYS 107 3HG LYS 107 27.788 8.179 11.174 858 HD2 LYS 107 2HD LYS 107 27.664 9.013 8.885 859 HD3 LYS 107 3HD LYS 107 29.121 10.003 9.132 860 HE2 LYS 107 2HE LYS 107 30.501 8.052 9.462 861 HE3 LYS 107 3HE LYS 107 29.089 6.991 9.583 862 HZ1 LYS 107 3HZ LYS 107 28.604 7.344 7.285 863 HZ2 LYS 107 1HZ LYS 107 29.818 8.445 7.103 864 HZ3 LYS 107 2HZ LYS 107 30.164 6.871 7.390 865 H GLY 108 H GLY 108 28.204 12.054 14.081 866 HA2 GLY 108 2HA GLY 108 27.741 14.229 14.753 867 HA3 GLY 108 3HA GLY 108 26.206 14.174 13.887 868 H ASP 109 H ASP 109 24.735 12.257 15.062 869 HA ASP 109 HA ASP 109 24.193 13.289 17.740 870 HB2 ASP 109 2HB ASP 109 22.463 12.818 15.944 871 HB3 ASP 109 3HB ASP 109 22.716 11.099 16.248 872 H GLU 110 H GLU 110 26.618 12.182 17.819 873 HA GLU 110 HA GLU 110 26.461 9.446 18.887 874 HB2 GLU 110 2HB GLU 110 28.790 11.277 18.192 875 HB3 GLU 110 3HB GLU 110 28.994 9.660 18.881 876 HG2 GLU 110 2HG GLU 110 27.829 8.642 16.995 877 HG3 GLU 110 3HG GLU 110 27.515 10.223 16.276 878 H VAL 111 H VAL 111 26.269 12.510 20.226 879 HA VAL 111 HA VAL 111 27.384 11.785 22.872 880 HB VAL 111 HB VAL 111 26.817 14.085 23.525 881 HG11 VAL 111 1HG1 VAL 111 28.380 13.977 20.914 882 HG12 VAL 111 2HG1 VAL 111 28.483 15.223 22.175 883 HG13 VAL 111 3HG1 VAL 111 29.015 13.570 22.524 884 HG21 VAL 111 3HG2 VAL 111 25.927 14.507 20.633 885 HG22 VAL 111 1HG2 VAL 111 24.845 14.462 22.043 886 HG23 VAL 111 2HG2 VAL 111 26.062 15.737 21.902 887 H ASP 112 H ASP 112 24.634 11.008 21.377 888 HA ASP 112 HA ASP 112 22.591 11.611 23.354 889 HB2 ASP 112 2HB ASP 112 22.140 11.507 20.952 890 HB3 ASP 112 3HB ASP 112 22.624 9.818 20.904 Start of MODEL 21 1 H1 GLY 1 H1 GLY 1 -3.019 22.631 16.114 2 H2 GLY 1 H2 GLY 1 -4.640 22.490 16.315 3 H3 GLY 1 H3 GLY 1 -4.041 23.446 15.126 4 HA2 GLY 1 2HA GLY 1 -4.876 21.392 14.187 5 HA3 GLY 1 3HA GLY 1 -3.126 21.561 13.958 6 H SER 2 H SER 2 -5.294 19.291 14.554 7 HA SER 2 HA SER 2 -3.984 17.968 16.866 8 HB2 SER 2 2HB SER 2 -6.601 17.324 15.477 9 HB3 SER 2 3HB SER 2 -6.001 16.629 16.997 10 HG SER 2 HG SER 2 -7.477 18.354 17.357 11 H LYS 3 H LYS 3 -3.419 17.790 13.629 12 HA LYS 3 HA LYS 3 -3.471 14.956 13.110 13 HB2 LYS 3 2HB LYS 3 -3.530 16.669 11.331 14 HB3 LYS 3 3HB LYS 3 -1.893 17.192 11.760 15 HG2 LYS 3 2HG LYS 3 -1.034 14.952 11.201 16 HG3 LYS 3 3HG LYS 3 -2.666 14.417 10.750 17 HD2 LYS 3 2HD LYS 3 -2.650 16.152 8.937 18 HD3 LYS 3 3HD LYS 3 -1.000 16.596 9.403 19 HE2 LYS 3 2HE LYS 3 -1.942 13.887 8.354 20 HE3 LYS 3 3HE LYS 3 -0.978 15.076 7.471 21 HZ1 LYS 3 3HZ LYS 3 0.443 13.326 8.395 22 HZ2 LYS 3 1HZ LYS 3 0.803 14.749 9.153 23 HZ3 LYS 3 2HZ LYS 3 -0.089 13.607 9.902 24 H ALA 4 H ALA 4 -1.949 13.401 13.231 25 HA ALA 4 HA ALA 4 0.689 13.976 14.505 26 HB1 ALA 4 1HB ALA 4 -0.695 12.300 15.667 27 HB2 ALA 4 2HB ALA 4 -0.793 11.336 14.175 28 HB3 ALA 4 3HB ALA 4 0.772 11.574 14.985 29 H GLU 5 H GLU 5 2.598 13.230 13.515 30 HA GLU 5 HA GLU 5 2.468 13.155 10.568 31 HB2 GLU 5 2HB GLU 5 4.779 13.509 12.496 32 HB3 GLU 5 3HB GLU 5 4.937 13.550 10.740 33 HG2 GLU 5 2HG GLU 5 3.184 15.473 12.332 34 HG3 GLU 5 3HG GLU 5 4.830 15.799 11.819 35 H LYS 6 H LYS 6 2.020 10.705 12.500 36 HA LYS 6 HA LYS 6 3.979 8.772 11.572 37 HB2 LYS 6 2HB LYS 6 1.237 8.245 12.780 38 HB3 LYS 6 3HB LYS 6 2.572 7.097 12.587 39 HG2 LYS 6 2HG LYS 6 3.944 8.877 13.993 40 HG3 LYS 6 3HG LYS 6 2.344 9.436 14.497 41 HD2 LYS 6 2HD LYS 6 3.535 6.663 14.822 42 HD3 LYS 6 3HD LYS 6 3.269 7.843 16.110 43 HE2 LYS 6 2HE LYS 6 0.827 7.627 15.831 44 HE3 LYS 6 3HE LYS 6 1.061 6.542 14.451 45 HZ1 LYS 6 3HZ LYS 6 0.665 5.236 16.426 46 HZ2 LYS 6 1HZ LYS 6 2.225 4.996 15.961 47 HZ3 LYS 6 2HZ LYS 6 1.882 5.959 17.241 48 H THR 7 H THR 7 1.086 10.007 10.106 49 HA THR 7 HA THR 7 1.836 8.453 7.669 50 HB THR 7 HB THR 7 -0.926 9.580 8.164 51 HG1 THR 7 1HG THR 7 -0.545 7.924 9.641 52 HG21 THR 7 1HG2 THR 7 -0.336 7.291 6.296 53 HG22 THR 7 2HG2 THR 7 -1.603 8.548 6.218 54 HG23 THR 7 3HG2 THR 7 0.034 8.890 5.742 55 H LEU 8 H LEU 8 2.063 9.728 5.762 56 HA LEU 8 HA LEU 8 2.211 12.618 6.068 57 HB2 LEU 8 2HB LEU 8 3.029 12.743 3.979 58 HB3 LEU 8 3HB LEU 8 3.481 11.102 4.398 59 HG LEU 8 HG LEU 8 1.103 11.932 2.669 60 HD11 LEU 8 1HD1 LEU 8 2.339 11.085 0.784 61 HD12 LEU 8 2HD1 LEU 8 3.302 12.329 1.601 62 HD13 LEU 8 3HD1 LEU 8 3.691 10.610 1.822 63 HD21 LEU 8 3HD2 LEU 8 2.207 9.191 3.374 64 HD22 LEU 8 1HD2 LEU 8 0.586 9.788 3.718 65 HD23 LEU 8 2HD2 LEU 8 1.060 9.485 2.050 66 H GLY 9 H GLY 9 -0.531 10.611 5.506 67 HA2 GLY 9 2HA GLY 9 -2.771 11.262 5.492 68 HA3 GLY 9 3HA GLY 9 -2.315 12.930 5.171 69 H ASP 10 H ASP 10 -1.472 9.995 3.234 70 HA ASP 10 HA ASP 10 -3.189 10.859 1.011 71 HB2 ASP 10 2HB ASP 10 -0.469 11.694 1.138 72 HB3 ASP 10 3HB ASP 10 -0.492 10.345 0.005 73 H PHE 11 H PHE 11 -1.213 8.321 2.516 74 HA PHE 11 HA PHE 11 -2.646 6.352 0.881 75 HB2 PHE 11 2HB PHE 11 -0.396 5.102 0.556 76 HB3 PHE 11 3HB PHE 11 -0.901 6.352 -0.520 77 HD1 PHE 11 HD2 PHE 11 1.234 6.160 2.635 78 HD2 PHE 11 HD1 PHE 11 0.684 7.745 -1.338 79 HE1 PHE 11 HE2 PHE 11 3.523 7.096 2.680 80 HE2 PHE 11 HE1 PHE 11 2.944 8.747 -1.252 81 HZ PHE 11 HZ PHE 11 4.370 8.409 0.748 82 H ALA 12 H ALA 12 -2.559 4.175 1.633 83 HA ALA 12 HA ALA 12 -2.393 3.931 4.603 84 HB1 ALA 12 1HB ALA 12 -4.797 3.291 2.848 85 HB2 ALA 12 2HB ALA 12 -4.698 3.112 4.610 86 HB3 ALA 12 3HB ALA 12 -4.645 4.729 3.872 87 H ALA 13 H ALA 13 -2.504 1.757 5.439 88 HA ALA 13 HA ALA 13 -2.042 -0.478 3.515 89 HB1 ALA 13 1HB ALA 13 -0.412 0.183 6.012 90 HB2 ALA 13 2HB ALA 13 -0.152 -1.186 4.895 91 HB3 ALA 13 3HB ALA 13 0.093 0.483 4.337 92 H GLU 14 H GLU 14 -2.910 -2.446 4.112 93 HA GLU 14 HA GLU 14 -4.195 -2.993 6.675 94 HB2 GLU 14 2HB GLU 14 -5.709 -1.321 5.679 95 HB3 GLU 14 3HB GLU 14 -5.724 -2.189 4.156 96 HG2 GLU 14 2HG GLU 14 -7.812 -2.362 5.361 97 HG3 GLU 14 3HG GLU 14 -7.097 -3.921 5.066 98 H TYR 15 H TYR 15 -5.484 -5.152 6.358 99 HA TYR 15 HA TYR 15 -4.202 -6.910 4.286 100 HB2 TYR 15 2HB TYR 15 -5.709 -7.619 6.804 101 HB3 TYR 15 3HB TYR 15 -5.119 -8.770 5.612 102 HD1 TYR 15 HD1 TYR 15 -2.672 -9.104 5.244 103 HD2 TYR 15 HD2 TYR 15 -4.155 -6.484 8.325 104 HE1 TYR 15 HE1 TYR 15 -0.440 -9.173 6.374 105 HE2 TYR 15 HE2 TYR 15 -1.961 -6.632 9.492 106 HH TYR 15 HH TYR 15 0.799 -8.464 8.099 107 H ALA 16 H ALA 16 -5.329 -8.076 2.830 108 HA ALA 16 HA ALA 16 -7.877 -7.116 1.902 109 HB1 ALA 16 1HB ALA 16 -6.251 -9.575 1.297 110 HB2 ALA 16 2HB ALA 16 -7.625 -8.995 0.317 111 HB3 ALA 16 3HB ALA 16 -6.145 -8.015 0.461 112 H LYS 17 H LYS 17 -9.667 -7.366 3.146 113 HA LYS 17 HA LYS 17 -10.067 -9.652 4.917 114 HB2 LYS 17 2HB LYS 17 -12.055 -7.465 4.207 115 HB3 LYS 17 3HB LYS 17 -12.079 -8.508 5.624 116 HG2 LYS 17 2HG LYS 17 -10.053 -6.320 5.017 117 HG3 LYS 17 3HG LYS 17 -11.361 -6.250 6.188 118 HD2 LYS 17 2HD LYS 17 -10.284 -7.952 7.590 119 HD3 LYS 17 3HD LYS 17 -9.043 -8.225 6.359 120 HE2 LYS 17 2HE LYS 17 -8.052 -6.847 8.042 121 HE3 LYS 17 3HE LYS 17 -8.263 -5.896 6.577 122 HZ1 LYS 17 3HZ LYS 17 -8.967 -4.545 8.357 123 HZ2 LYS 17 1HZ LYS 17 -10.360 -5.019 7.669 124 HZ3 LYS 17 2HZ LYS 17 -9.873 -5.727 9.062 125 H SER 18 H SER 18 -10.857 -9.112 1.650 126 HA SER 18 HA SER 18 -12.090 -11.760 1.479 127 HB2 SER 18 2HB SER 18 -14.009 -10.100 1.744 128 HB3 SER 18 3HB SER 18 -13.528 -9.425 0.169 129 HG SER 18 HG SER 18 -15.158 -11.152 0.131 130 H ASN 19 H ASN 19 -12.127 -12.526 -0.775 131 HA ASN 19 HA ASN 19 -9.680 -11.676 -2.160 132 HB2 ASN 19 2HB ASN 19 -10.585 -14.111 -1.534 133 HB3 ASN 19 3HB ASN 19 -11.408 -13.983 -3.074 134 HD21 ASN 19 2HD2 ASN 19 -8.690 -15.252 -1.724 135 HD22 ASN 19 1HD2 ASN 19 -7.568 -15.037 -3.075 136 H ARG 20 H ARG 20 -11.498 -9.683 -2.319 137 HA ARG 20 HA ARG 20 -12.784 -9.762 -5.037 138 HB2 ARG 20 2HB ARG 20 -13.945 -8.754 -2.408 139 HB3 ARG 20 3HB ARG 20 -14.732 -8.615 -3.976 140 HG2 ARG 20 2HG ARG 20 -14.078 -11.243 -2.574 141 HG3 ARG 20 3HG ARG 20 -15.653 -10.447 -2.625 142 HD2 ARG 20 2HD ARG 20 -15.680 -10.668 -5.100 143 HD3 ARG 20 3HD ARG 20 -14.126 -11.524 -5.029 144 HE ARG 20 HE ARG 20 -15.967 -12.824 -3.284 145 HH11 ARG 20 1HH2 ARG 20 -15.470 -12.452 -6.732 146 HH12 ARG 20 2HH2 ARG 20 -16.256 -13.963 -7.102 147 HH21 ARG 20 1HH1 ARG 20 -16.958 -14.739 -3.825 148 HH22 ARG 20 2HH1 ARG 20 -17.073 -15.219 -5.492 149 H SER 21 H SER 21 -10.770 -7.855 -3.004 150 HA SER 21 HA SER 21 -11.283 -5.323 -4.414 151 HB2 SER 21 2HB SER 21 -9.224 -4.593 -3.172 152 HB3 SER 21 3HB SER 21 -10.575 -5.124 -2.157 153 HG SER 21 HG SER 21 -8.656 -6.051 -1.416 154 H THR 22 H THR 22 -9.361 -4.263 -5.603 155 HA THR 22 HA THR 22 -7.863 -6.241 -7.250 156 HB THR 22 HB THR 22 -9.642 -4.061 -8.344 157 HG1 THR 22 1HG THR 22 -10.851 -5.770 -9.165 158 HG21 THR 22 1HG2 THR 22 -9.155 -5.004 -10.571 159 HG22 THR 22 2HG2 THR 22 -7.669 -4.427 -9.813 160 HG23 THR 22 3HG2 THR 22 -8.032 -6.167 -9.845 161 H CYS 23 HN CYS 23 -5.913 -5.645 -7.812 162 HA CYS 23 HA CYS 23 -4.781 -3.225 -6.737 163 HB2 CYS 23 2HB CYS 23 -3.525 -5.216 -6.589 164 HB3 CYS 23 3HB CYS 23 -3.848 -5.619 -8.275 165 H LYS 24 H LYS 24 -5.065 -1.378 -7.729 166 HA LYS 24 HA LYS 24 -5.533 -1.012 -10.582 167 HB2 LYS 24 2HB LYS 24 -4.886 0.963 -8.367 168 HB3 LYS 24 3HB LYS 24 -5.581 1.360 -9.948 169 HG2 LYS 24 2HG LYS 24 -6.923 -0.231 -7.712 170 HG3 LYS 24 3HG LYS 24 -7.307 1.400 -8.223 171 HD2 LYS 24 2HD LYS 24 -8.025 0.544 -10.449 172 HD3 LYS 24 3HD LYS 24 -7.724 -1.118 -9.876 173 HE2 LYS 24 2HE LYS 24 -9.342 -0.820 -8.052 174 HE3 LYS 24 3HE LYS 24 -9.615 0.859 -8.533 175 HZ1 LYS 24 3HZ LYS 24 -10.510 0.050 -10.649 176 HZ2 LYS 24 1HZ LYS 24 -10.264 -1.508 -10.215 177 HZ3 LYS 24 2HZ LYS 24 -11.348 -0.594 -9.409 178 H GLY 25 H GLY 25 -2.699 -1.620 -8.849 179 HA2 GLY 25 2HA GLY 25 -0.832 -0.097 -10.522 180 HA3 GLY 25 3HA GLY 25 -0.441 -1.347 -9.342 181 H CYS 26 HN CYS 26 -2.156 -3.379 -10.639 182 HA CYS 26 HA CYS 26 -0.890 -3.668 -13.315 183 HB2 CYS 26 2HB CYS 26 -0.253 -5.929 -12.976 184 HB3 CYS 26 3HB CYS 26 0.473 -4.945 -11.706 185 H MET 27 H MET 27 -3.799 -3.642 -11.740 186 HA MET 27 HA MET 27 -5.894 -4.098 -12.276 187 HB2 MET 27 2HB MET 27 -5.074 -3.131 -14.547 188 HB3 MET 27 3HB MET 27 -5.173 -4.791 -15.120 189 HG2 MET 27 2HG MET 27 -7.294 -4.246 -15.623 190 HG3 MET 27 3HG MET 27 -7.625 -4.569 -13.929 191 HE1 MET 27 3HE MET 27 -7.614 -2.500 -12.050 192 HE2 MET 27 1HE MET 27 -6.106 -1.799 -12.692 193 HE3 MET 27 2HE MET 27 -7.550 -0.785 -12.522 194 H GLU 28 H GLU 28 -4.807 -6.016 -10.834 195 HA GLU 28 HA GLU 28 -6.250 -8.429 -11.794 196 HB2 GLU 28 2HB GLU 28 -3.455 -8.567 -10.600 197 HB3 GLU 28 3HB GLU 28 -4.538 -9.931 -10.902 198 HG2 GLU 28 2HG GLU 28 -4.566 -9.255 -13.348 199 HG3 GLU 28 3HG GLU 28 -3.243 -8.142 -12.987 200 H LYS 29 H LYS 29 -7.036 -9.792 -10.094 201 HA LYS 29 HA LYS 29 -7.955 -8.148 -7.926 202 HB2 LYS 29 2HB LYS 29 -9.358 -9.981 -7.256 203 HB3 LYS 29 3HB LYS 29 -9.476 -9.607 -8.960 204 HG2 LYS 29 2HG LYS 29 -9.566 -11.886 -8.981 205 HG3 LYS 29 3HG LYS 29 -7.865 -11.620 -9.357 206 HD2 LYS 29 2HD LYS 29 -7.245 -12.193 -7.041 207 HD3 LYS 29 3HD LYS 29 -8.954 -12.230 -6.570 208 HE2 LYS 29 2HE LYS 29 -9.355 -14.122 -8.078 209 HE3 LYS 29 3HE LYS 29 -7.678 -14.064 -8.647 210 HZ1 LYS 29 3HZ LYS 29 -8.411 -14.510 -5.812 211 HZ2 LYS 29 1HZ LYS 29 -8.075 -15.740 -6.861 212 HZ3 LYS 29 2HZ LYS 29 -6.921 -14.646 -6.456 213 H ILE 30 H ILE 30 -7.525 -8.068 -5.856 214 HA ILE 30 HA ILE 30 -4.955 -9.111 -4.961 215 HB ILE 30 HB ILE 30 -7.036 -7.261 -3.792 216 HG12 ILE 30 2HG1 ILE 30 -4.115 -6.741 -4.509 217 HG13 ILE 30 3HG1 ILE 30 -5.402 -6.597 -5.693 218 HG21 ILE 30 1HG2 ILE 30 -6.026 -8.483 -1.882 219 HG22 ILE 30 2HG2 ILE 30 -4.404 -8.036 -2.474 220 HG23 ILE 30 3HG2 ILE 30 -5.545 -6.797 -1.910 221 HD11 ILE 30 3HD1 ILE 30 -6.504 -4.855 -4.337 222 HD12 ILE 30 1HD1 ILE 30 -5.162 -4.932 -3.161 223 HD13 ILE 30 2HD1 ILE 30 -4.859 -4.423 -4.828 224 H GLU 31 H GLU 31 -4.528 -10.707 -3.539 225 HA GLU 31 HA GLU 31 -6.569 -12.716 -3.046 226 HB2 GLU 31 2HB GLU 31 -3.654 -12.529 -2.184 227 HB3 GLU 31 3HB GLU 31 -4.682 -13.932 -1.929 228 HG2 GLU 31 2HG GLU 31 -3.796 -12.784 -4.600 229 HG3 GLU 31 3HG GLU 31 -3.202 -14.252 -3.829 230 H LYS 32 H LYS 32 -7.458 -13.340 -1.174 231 HA LYS 32 HA LYS 32 -7.751 -11.522 1.050 232 HB2 LYS 32 2HB LYS 32 -9.456 -13.181 0.306 233 HB3 LYS 32 3HB LYS 32 -8.420 -14.491 0.882 234 HG2 LYS 32 2HG LYS 32 -8.607 -13.587 3.205 235 HG3 LYS 32 3HG LYS 32 -9.637 -12.275 2.598 236 HD2 LYS 32 2HD LYS 32 -11.296 -13.957 1.842 237 HD3 LYS 32 3HD LYS 32 -10.230 -15.257 2.425 238 HE2 LYS 32 2HE LYS 32 -10.381 -14.363 4.730 239 HE3 LYS 32 3HE LYS 32 -11.427 -13.055 4.168 240 HZ1 LYS 32 3HZ LYS 32 -12.719 -14.883 5.102 241 HZ2 LYS 32 1HZ LYS 32 -13.071 -14.733 3.517 242 HZ3 LYS 32 2HZ LYS 32 -12.102 -15.947 4.032 243 H GLY 33 H GLY 33 -6.993 -11.603 3.145 244 HA2 GLY 33 2HA GLY 33 -5.800 -12.260 4.998 245 HA3 GLY 33 3HA GLY 33 -5.442 -13.794 4.203 246 H GLN 34 H GLN 34 -4.391 -11.175 2.316 247 HA GLN 34 HA GLN 34 -1.736 -10.959 3.608 248 HB2 GLN 34 2HB GLN 34 -0.559 -11.149 1.512 249 HB3 GLN 34 3HB GLN 34 -1.454 -12.604 1.888 250 HG2 GLN 34 2HG GLN 34 -1.686 -12.307 -0.444 251 HG3 GLN 34 3HG GLN 34 -3.239 -11.868 0.237 252 HE21 GLN 34 1HE2 GLN 34 -4.037 -9.772 -0.316 253 HE22 GLN 34 2HE2 GLN 34 -2.942 -8.462 -0.795 254 H VAL 35 H VAL 35 -0.493 -9.041 2.565 255 HA VAL 35 HA VAL 35 -1.986 -6.783 3.452 256 HB VAL 35 HB VAL 35 0.725 -7.002 2.118 257 HG11 VAL 35 1HG1 VAL 35 -0.504 -4.570 3.494 258 HG12 VAL 35 2HG1 VAL 35 1.214 -4.756 3.087 259 HG13 VAL 35 3HG1 VAL 35 0.027 -4.685 1.796 260 HG21 VAL 35 3HG2 VAL 35 -0.099 -6.580 5.025 261 HG22 VAL 35 1HG2 VAL 35 0.542 -8.089 4.337 262 HG23 VAL 35 2HG2 VAL 35 1.564 -6.655 4.406 263 H ARG 36 H ARG 36 -2.719 -4.961 2.496 264 HA ARG 36 HA ARG 36 -2.500 -4.560 -0.418 265 HB2 ARG 36 2HB ARG 36 -4.845 -3.832 -0.590 266 HB3 ARG 36 3HB ARG 36 -4.673 -5.551 -0.243 267 HG2 ARG 36 2HG ARG 36 -5.270 -5.235 2.087 268 HG3 ARG 36 3HG ARG 36 -5.306 -3.480 1.904 269 HD2 ARG 36 2HD ARG 36 -7.153 -3.655 0.300 270 HD3 ARG 36 3HD ARG 36 -7.132 -5.419 0.443 271 HE ARG 36 HE ARG 36 -7.525 -4.910 2.991 272 HH11 ARG 36 1HH2 ARG 36 -9.011 -3.021 0.432 273 HH12 ARG 36 2HH2 ARG 36 -10.427 -2.697 1.389 274 HH21 ARG 36 1HH1 ARG 36 -9.277 -4.378 4.158 275 HH22 ARG 36 2HH1 ARG 36 -10.563 -3.432 3.460 276 H LEU 37 H LEU 37 -2.126 -2.466 -0.956 277 HA LEU 37 HA LEU 37 -2.168 -0.413 1.212 278 HB2 LEU 37 2HB LEU 37 -0.405 -0.326 -1.250 279 HB3 LEU 37 3HB LEU 37 -0.394 0.711 0.206 280 HG LEU 37 HG LEU 37 1.525 -0.493 0.335 281 HD11 LEU 37 1HD1 LEU 37 0.186 -0.383 2.388 282 HD12 LEU 37 2HD1 LEU 37 -0.323 -2.063 2.147 283 HD13 LEU 37 3HD1 LEU 37 1.394 -1.683 2.383 284 HD21 LEU 37 3HD2 LEU 37 0.094 -3.159 -0.025 285 HD22 LEU 37 1HD2 LEU 37 1.010 -2.312 -1.286 286 HD23 LEU 37 2HD2 LEU 37 1.823 -2.861 0.195 287 H SER 38 H SER 38 -2.829 1.730 0.594 288 HA SER 38 HA SER 38 -4.220 1.964 -2.017 289 HB2 SER 38 2HB SER 38 -5.975 1.494 -0.423 290 HB3 SER 38 3HB SER 38 -5.382 2.767 0.660 291 HG SER 38 HG SER 38 -7.125 3.497 -0.549 292 H LYS 39 H LYS 39 -4.297 4.008 -2.898 293 HA LYS 39 HA LYS 39 -2.930 6.293 -1.490 294 HB2 LYS 39 2HB LYS 39 -1.545 5.604 -3.391 295 HB3 LYS 39 3HB LYS 39 -2.968 5.533 -4.422 296 HG2 LYS 39 2HG LYS 39 -2.049 7.436 -5.162 297 HG3 LYS 39 3HG LYS 39 -3.196 8.097 -4.012 298 HD2 LYS 39 2HD LYS 39 -1.411 8.540 -2.413 299 HD3 LYS 39 3HD LYS 39 -0.230 7.715 -3.474 300 HE2 LYS 39 2HE LYS 39 -0.700 9.309 -5.291 301 HE3 LYS 39 3HE LYS 39 -1.920 10.120 -4.292 302 HZ1 LYS 39 3HZ LYS 39 0.231 11.269 -4.320 303 HZ2 LYS 39 1HZ LYS 39 -0.238 10.874 -2.819 304 HZ3 LYS 39 2HZ LYS 39 0.958 9.995 -3.599 305 H LYS 40 H LYS 40 -4.227 8.022 -1.172 306 HA LYS 40 HA LYS 40 -6.871 8.199 -2.518 307 HB2 LYS 40 2HB LYS 40 -6.984 8.553 -0.214 308 HB3 LYS 40 3HB LYS 40 -5.629 9.647 -0.177 309 HG2 LYS 40 2HG LYS 40 -8.225 10.268 -1.716 310 HG3 LYS 40 3HG LYS 40 -8.064 10.565 0.008 311 HD2 LYS 40 2HD LYS 40 -6.635 11.962 -2.246 312 HD3 LYS 40 3HD LYS 40 -7.685 12.644 -1.009 313 HE2 LYS 40 2HE LYS 40 -5.940 12.160 0.722 314 HE3 LYS 40 3HE LYS 40 -4.913 11.469 -0.545 315 HZ1 LYS 40 3HZ LYS 40 -4.152 13.602 -0.270 316 HZ2 LYS 40 1HZ LYS 40 -4.999 13.687 -1.642 317 HZ3 LYS 40 2HZ LYS 40 -5.652 14.309 -0.263 318 H MET 41 H MET 41 -6.828 9.014 -4.526 319 HA MET 41 HA MET 41 -5.728 11.654 -4.973 320 HB2 MET 41 2HB MET 41 -4.225 11.213 -6.787 321 HB3 MET 41 3HB MET 41 -3.646 10.450 -5.318 322 HG2 MET 41 2HG MET 41 -4.464 8.261 -6.111 323 HG3 MET 41 3HG MET 41 -5.113 9.025 -7.567 324 HE1 MET 41 3HE MET 41 -2.294 6.974 -9.075 325 HE2 MET 41 1HE MET 41 -3.264 6.545 -7.641 326 HE3 MET 41 2HE MET 41 -4.034 7.377 -9.011 327 H VAL 42 H VAL 42 -6.618 12.693 -6.825 328 HA VAL 42 HA VAL 42 -8.843 11.577 -8.145 329 HB VAL 42 HB VAL 42 -8.523 13.947 -8.047 330 HG11 VAL 42 1HG1 VAL 42 -6.184 13.664 -9.975 331 HG12 VAL 42 2HG1 VAL 42 -6.911 15.173 -9.395 332 HG13 VAL 42 3HG1 VAL 42 -6.056 14.121 -8.262 333 HG21 VAL 42 3HG2 VAL 42 -9.862 12.988 -9.883 334 HG22 VAL 42 1HG2 VAL 42 -9.140 14.554 -10.285 335 HG23 VAL 42 2HG2 VAL 42 -8.424 13.065 -10.937 336 H ASP 43 H ASP 43 -9.113 10.254 -9.853 337 HA ASP 43 HA ASP 43 -6.862 8.662 -10.658 338 HB2 ASP 43 2HB ASP 43 -9.153 7.776 -10.389 339 HB3 ASP 43 3HB ASP 43 -9.668 8.702 -11.804 340 HA PRO 44 HA PRO 44 -5.556 11.277 -13.955 341 HB2 PRO 44 2HB PRO 44 -3.602 9.728 -15.131 342 HB3 PRO 44 3HB PRO 44 -3.431 10.461 -13.508 343 HG2 PRO 44 2HG PRO 44 -4.362 7.642 -14.179 344 HG3 PRO 44 3HG PRO 44 -3.087 8.136 -13.011 345 HD2 PRO 44 2HD PRO 44 -5.595 7.600 -12.202 346 HD3 PRO 44 3HD PRO 44 -4.679 8.961 -11.485 347 H GLU 45 H GLU 45 -7.186 8.313 -14.682 348 HA GLU 45 HA GLU 45 -7.466 9.092 -17.572 349 HB2 GLU 45 2HB GLU 45 -7.982 6.430 -16.196 350 HB3 GLU 45 3HB GLU 45 -8.305 6.794 -17.893 351 HG2 GLU 45 2HG GLU 45 -5.878 7.326 -18.219 352 HG3 GLU 45 3HG GLU 45 -5.564 6.822 -16.557 353 H LYS 46 H LYS 46 -9.031 9.206 -14.581 354 HA LYS 46 HA LYS 46 -11.664 9.903 -15.777 355 HB2 LYS 46 2HB LYS 46 -11.232 7.766 -13.652 356 HB3 LYS 46 3HB LYS 46 -12.796 8.510 -14.017 357 HG2 LYS 46 2HG LYS 46 -12.611 7.715 -16.370 358 HG3 LYS 46 3HG LYS 46 -11.157 6.798 -15.922 359 HD2 LYS 46 2HD LYS 46 -13.846 6.524 -14.520 360 HD3 LYS 46 3HD LYS 46 -13.344 5.511 -15.891 361 HE2 LYS 46 2HE LYS 46 -11.346 4.766 -14.589 362 HE3 LYS 46 3HE LYS 46 -11.903 5.715 -13.206 363 HZ1 LYS 46 3HZ LYS 46 -12.595 3.394 -13.015 364 HZ2 LYS 46 1HZ LYS 46 -13.925 4.330 -13.171 365 HZ3 LYS 46 2HZ LYS 46 -13.388 3.451 -14.439 366 HA PRO 47 HA PRO 47 -10.190 12.520 -12.174 367 HB2 PRO 47 2HB PRO 47 -10.134 15.006 -13.379 368 HB3 PRO 47 3HB PRO 47 -8.753 13.875 -13.309 369 HG2 PRO 47 2HG PRO 47 -10.757 14.227 -15.569 370 HG3 PRO 47 3HG PRO 47 -8.965 14.150 -15.678 371 HD2 PRO 47 2HD PRO 47 -10.494 11.978 -16.180 372 HD3 PRO 47 3HD PRO 47 -8.944 11.831 -15.297 373 H GLN 48 H GLN 48 -12.873 12.519 -14.333 374 HA GLN 48 HA GLN 48 -14.682 14.323 -13.070 375 HB2 GLN 48 2HB GLN 48 -15.259 11.673 -14.481 376 HB3 GLN 48 3HB GLN 48 -16.420 12.936 -14.105 377 HG2 GLN 48 2HG GLN 48 -15.996 13.305 -16.347 378 HG3 GLN 48 3HG GLN 48 -15.008 14.523 -15.554 379 HE21 GLN 48 2HE2 GLN 48 -14.138 14.314 -17.967 380 HE22 GLN 48 1HE2 GLN 48 -12.799 13.189 -18.149 381 H LEU 49 H LEU 49 -13.550 11.112 -12.034 382 HA LEU 49 HA LEU 49 -15.500 10.524 -10.017 383 HB2 LEU 49 2HB LEU 49 -12.497 10.077 -10.327 384 HB3 LEU 49 3HB LEU 49 -13.344 9.501 -8.915 385 HG LEU 49 HG LEU 49 -14.187 8.633 -11.702 386 HD11 LEU 49 1HD1 LEU 49 -11.856 8.036 -11.372 387 HD12 LEU 49 2HD1 LEU 49 -12.179 7.443 -9.743 388 HD13 LEU 49 3HD1 LEU 49 -12.844 6.574 -11.155 389 HD21 LEU 49 3HD2 LEU 49 -15.836 8.307 -9.873 390 HD22 LEU 49 1HD2 LEU 49 -15.162 6.750 -10.384 391 HD23 LEU 49 2HD2 LEU 49 -14.594 7.521 -8.881 392 H GLY 50 H GLY 50 -12.867 12.900 -10.040 393 HA2 GLY 50 2HA GLY 50 -11.829 14.098 -8.340 394 HA3 GLY 50 3HA GLY 50 -13.101 13.625 -7.207 395 H MET 51 H MET 51 -11.460 13.113 -5.716 396 HA MET 51 HA MET 51 -9.324 11.337 -6.114 397 HB2 MET 51 2HB MET 51 -10.378 12.045 -3.382 398 HB3 MET 51 3HB MET 51 -8.721 11.790 -3.921 399 HG2 MET 51 2HG MET 51 -9.221 13.946 -5.420 400 HG3 MET 51 3HG MET 51 -10.530 14.192 -4.266 401 HE1 MET 51 3HE MET 51 -6.016 14.583 -3.692 402 HE2 MET 51 1HE MET 51 -6.828 13.119 -4.313 403 HE3 MET 51 2HE MET 51 -6.951 14.640 -5.210 404 H ILE 52 H ILE 52 -9.115 9.161 -5.838 405 HA ILE 52 HA ILE 52 -11.318 7.726 -4.427 406 HB ILE 52 HB ILE 52 -10.830 5.784 -5.927 407 HG12 ILE 52 2HG1 ILE 52 -9.591 7.770 -7.873 408 HG13 ILE 52 3HG1 ILE 52 -8.595 6.812 -6.771 409 HG21 ILE 52 1HG2 ILE 52 -12.812 7.237 -6.108 410 HG22 ILE 52 2HG2 ILE 52 -11.960 8.232 -7.314 411 HG23 ILE 52 3HG2 ILE 52 -12.335 6.521 -7.649 412 HD11 ILE 52 3HD1 ILE 52 -9.565 4.731 -7.639 413 HD12 ILE 52 1HD1 ILE 52 -10.516 5.664 -8.825 414 HD13 ILE 52 2HD1 ILE 52 -8.744 5.682 -8.899 415 H ASP 53 H ASP 53 -10.801 5.696 -3.585 416 HA ASP 53 HA ASP 53 -8.158 5.592 -2.225 417 HB2 ASP 53 2HB ASP 53 -10.779 4.106 -1.756 418 HB3 ASP 53 3HB ASP 53 -9.280 3.779 -0.892 419 H ARG 54 H ARG 54 -6.901 4.970 -3.880 420 HA ARG 54 HA ARG 54 -7.674 2.842 -5.777 421 HB2 ARG 54 2HB ARG 54 -6.462 5.279 -6.043 422 HB3 ARG 54 3HB ARG 54 -5.035 4.242 -5.976 423 HG2 ARG 54 2HG ARG 54 -5.677 3.057 -7.922 424 HG3 ARG 54 3HG ARG 54 -7.337 3.714 -7.884 425 HD2 ARG 54 2HD ARG 54 -6.395 5.999 -8.225 426 HD3 ARG 54 3HD ARG 54 -4.786 5.279 -8.373 427 HE ARG 54 HE ARG 54 -6.935 5.308 -10.367 428 HH11 ARG 54 1HH2 ARG 54 -3.857 3.706 -9.619 429 HH12 ARG 54 2HH2 ARG 54 -3.678 3.233 -11.286 430 HH21 ARG 54 1HH1 ARG 54 -6.602 4.798 -12.292 431 HH22 ARG 54 2HH1 ARG 54 -5.208 3.853 -12.825 432 H TRP 55 H TRP 55 -7.302 0.785 -5.136 433 HA TRP 55 HA TRP 55 -5.244 0.202 -3.162 434 HB2 TRP 55 2HB TRP 55 -7.335 -1.538 -4.478 435 HB3 TRP 55 3HB TRP 55 -6.179 -2.120 -3.287 436 HD1 TRP 55 HD1 TRP 55 -9.396 -0.182 -3.571 437 HE1 TRP 55 HE1 TRP 55 -10.284 0.453 -1.254 438 HE3 TRP 55 HE3 TRP 55 -5.349 -1.552 -0.745 439 HZ2 TRP 55 HZ2 TRP 55 -9.333 0.447 1.473 440 HZ3 TRP 55 HZ3 TRP 55 -5.341 -1.155 1.710 441 HH2 TRP 55 HH2 TRP 55 -7.326 -0.173 2.828 442 H TYR 56 H TYR 56 -3.636 -1.338 -3.287 443 HA TYR 56 HA TYR 56 -2.564 -2.260 -5.888 444 HB2 TYR 56 2HB TYR 56 -1.078 -0.657 -3.758 445 HB3 TYR 56 3HB TYR 56 -0.347 -1.377 -5.188 446 HD1 TYR 56 HD2 TYR 56 -1.039 -0.594 -7.457 447 HD2 TYR 56 HD1 TYR 56 -2.146 1.513 -3.886 448 HE1 TYR 56 HE2 TYR 56 -1.691 1.411 -8.841 449 HE2 TYR 56 HE1 TYR 56 -2.812 3.477 -5.248 450 HH TYR 56 HH TYR 56 -2.977 4.366 -7.324 451 H HIS 57 H HIS 57 -1.076 -3.907 -5.738 452 HA HIS 57 HA HIS 57 -1.111 -5.787 -3.489 453 HB2 HIS 57 2HB HIS 57 0.564 -5.656 -6.002 454 HB3 HIS 57 3HB HIS 57 0.800 -6.886 -4.799 455 HD2 HIS 57 HD2 HIS 57 -1.609 -8.354 -4.173 456 HE1 HIS 57 HE1 HIS 57 -2.921 -8.221 -8.216 457 HE2 HIS 57 HE2 HIS 57 -3.182 -9.422 -6.010 458 HA PRO 58 HA PRO 58 2.561 -4.178 -1.352 459 HB2 PRO 58 2HB PRO 58 3.747 -6.457 -0.392 460 HB3 PRO 58 3HB PRO 58 2.245 -5.752 0.282 461 HG2 PRO 58 2HG PRO 58 2.498 -7.992 -1.752 462 HG3 PRO 58 3HG PRO 58 1.508 -7.963 -0.256 463 HD2 PRO 58 2HD PRO 58 0.406 -7.391 -2.646 464 HD3 PRO 58 3HD PRO 58 -0.037 -6.438 -1.206 465 H GLY 59 H GLY 59 2.905 -6.348 -4.065 466 HA2 GLY 59 2HA GLY 59 5.761 -5.667 -4.494 467 HA3 GLY 59 3HA GLY 59 4.711 -6.598 -5.564 468 H CYS 60 HN CYS 60 2.585 -4.912 -6.061 469 HA CYS 60 HA CYS 60 3.705 -3.305 -8.063 470 HB2 CYS 60 2HB CYS 60 0.858 -3.339 -7.005 471 HB3 CYS 60 3HB CYS 60 1.376 -2.757 -8.595 472 H PHE 61 H PHE 61 2.309 -2.286 -4.897 473 HA PHE 61 HA PHE 61 2.281 0.491 -5.556 474 HB2 PHE 61 2HB PHE 61 1.583 0.846 -3.478 475 HB3 PHE 61 3HB PHE 61 1.364 -0.894 -3.450 476 HD1 PHE 61 HD2 PHE 61 3.287 -2.328 -2.539 477 HD2 PHE 61 HD1 PHE 61 3.081 1.926 -2.015 478 HE1 PHE 61 HE2 PHE 61 4.839 -2.504 -0.586 479 HE2 PHE 61 HE1 PHE 61 4.599 1.767 -0.033 480 HZ PHE 61 HZ PHE 61 5.470 -0.454 0.682 481 H VAL 62 H VAL 62 4.944 -1.583 -4.500 482 HA VAL 62 HA VAL 62 6.982 0.442 -4.271 483 HB VAL 62 HB VAL 62 7.449 -2.397 -5.230 484 HG11 VAL 62 1HG1 VAL 62 9.186 -0.473 -3.644 485 HG12 VAL 62 2HG1 VAL 62 9.603 -2.143 -4.074 486 HG13 VAL 62 3HG1 VAL 62 9.405 -0.937 -5.346 487 HG21 VAL 62 3HG2 VAL 62 6.075 -2.586 -3.218 488 HG22 VAL 62 1HG2 VAL 62 7.725 -3.077 -2.890 489 HG23 VAL 62 2HG2 VAL 62 7.148 -1.482 -2.347 490 H LYS 63 H LYS 63 5.830 -1.512 -7.031 491 HA LYS 63 HA LYS 63 7.754 -0.648 -8.939 492 HB2 LYS 63 2HB LYS 63 6.381 -2.655 -9.218 493 HB3 LYS 63 3HB LYS 63 4.908 -1.692 -9.247 494 HG2 LYS 63 2HG LYS 63 5.592 -0.646 -11.383 495 HG3 LYS 63 3HG LYS 63 7.077 -1.604 -11.359 496 HD2 LYS 63 2HD LYS 63 5.435 -2.631 -12.839 497 HD3 LYS 63 3HD LYS 63 5.765 -3.681 -11.471 498 HE2 LYS 63 2HE LYS 63 3.409 -3.735 -11.999 499 HE3 LYS 63 3HE LYS 63 3.625 -3.023 -10.404 500 HZ1 LYS 63 3HZ LYS 63 3.277 -1.373 -12.853 501 HZ2 LYS 63 1HZ LYS 63 2.016 -1.852 -11.938 502 HZ3 LYS 63 2HZ LYS 63 3.130 -0.870 -11.289 503 H ASN 64 H ASN 64 4.641 0.809 -8.022 504 HA ASN 64 HA ASN 64 5.209 3.118 -9.810 505 HB2 ASN 64 2HB ASN 64 2.596 3.488 -9.092 506 HB3 ASN 64 3HB ASN 64 3.208 2.849 -10.592 507 HD21 ASN 64 1HD2 ASN 64 1.677 1.937 -7.503 508 HD22 ASN 64 2HD2 ASN 64 1.179 0.373 -8.137 509 H ARG 65 H ARG 65 6.182 2.505 -6.830 510 HA ARG 65 HA ARG 65 5.127 4.371 -5.111 511 HB2 ARG 65 2HB ARG 65 7.143 4.193 -3.859 512 HB3 ARG 65 3HB ARG 65 6.929 2.654 -4.668 513 HG2 ARG 65 2HG ARG 65 8.506 3.556 -6.504 514 HG3 ARG 65 3HG ARG 65 8.844 4.909 -5.409 515 HD2 ARG 65 2HD ARG 65 9.696 3.398 -3.721 516 HD3 ARG 65 3HD ARG 65 9.253 1.982 -4.688 517 HE ARG 65 HE ARG 65 11.596 3.686 -4.999 518 HH11 ARG 65 1HH2 ARG 65 9.542 1.457 -6.808 519 HH12 ARG 65 2HH2 ARG 65 10.820 1.103 -7.941 520 HH21 ARG 65 1HH1 ARG 65 13.141 3.174 -6.497 521 HH22 ARG 65 2HH1 ARG 65 12.782 2.053 -7.774 522 H GLU 66 H GLU 66 7.397 5.038 -7.704 523 HA GLU 66 HA GLU 66 7.834 7.803 -6.939 524 HB2 GLU 66 2HB GLU 66 9.232 7.875 -8.955 525 HB3 GLU 66 3HB GLU 66 9.623 6.532 -7.869 526 HG2 GLU 66 2HG GLU 66 8.480 4.937 -9.318 527 HG3 GLU 66 3HG GLU 66 7.923 6.235 -10.381 528 H GLU 67 H GLU 67 5.490 6.175 -8.905 529 HA GLU 67 HA GLU 67 4.442 8.645 -10.130 530 HB2 GLU 67 2HB GLU 67 4.368 6.487 -11.337 531 HB3 GLU 67 3HB GLU 67 3.306 5.827 -10.086 532 HG2 GLU 67 2HG GLU 67 1.576 7.473 -10.624 533 HG3 GLU 67 3HG GLU 67 2.661 8.294 -11.752 534 H LEU 68 H LEU 68 3.676 6.361 -7.478 535 HA LEU 68 HA LEU 68 1.439 7.866 -6.423 536 HB2 LEU 68 2HB LEU 68 3.236 5.761 -5.163 537 HB3 LEU 68 3HB LEU 68 1.728 6.343 -4.467 538 HG LEU 68 HG LEU 68 1.980 4.825 -7.104 539 HD11 LEU 68 1HD1 LEU 68 0.947 3.962 -4.378 540 HD12 LEU 68 2HD1 LEU 68 0.850 3.003 -5.863 541 HD13 LEU 68 3HD1 LEU 68 2.436 3.399 -5.168 542 HD21 LEU 68 3HD2 LEU 68 -0.435 4.647 -7.053 543 HD22 LEU 68 1HD2 LEU 68 -0.512 5.648 -5.590 544 HD23 LEU 68 2HD2 LEU 68 0.031 6.342 -7.139 545 H GLY 69 H GLY 69 4.862 8.381 -6.140 546 HA2 GLY 69 2HA GLY 69 5.616 10.580 -5.706 547 HA3 GLY 69 3HA GLY 69 4.197 10.905 -4.715 548 H PHE 70 H PHE 70 5.927 7.949 -4.054 549 HA PHE 70 HA PHE 70 6.547 8.666 -1.339 550 HB2 PHE 70 2HB PHE 70 7.292 6.364 -3.169 551 HB3 PHE 70 3HB PHE 70 7.938 6.495 -1.553 552 HD1 PHE 70 HD2 PHE 70 4.787 5.905 -3.461 553 HD2 PHE 70 HD1 PHE 70 6.611 6.154 0.409 554 HE1 PHE 70 HE2 PHE 70 2.909 4.608 -2.497 555 HE2 PHE 70 HE1 PHE 70 4.761 4.859 1.395 556 HZ PHE 70 HZ PHE 70 2.905 4.049 -0.082 557 H ARG 71 H ARG 71 8.262 9.622 -0.462 558 HA ARG 71 HA ARG 71 10.978 9.437 -1.638 559 HB2 ARG 71 2HB ARG 71 9.746 11.923 -0.351 560 HB3 ARG 71 3HB ARG 71 11.415 11.765 -0.888 561 HG2 ARG 71 2HG ARG 71 10.689 11.551 -3.233 562 HG3 ARG 71 3HG ARG 71 8.988 11.651 -2.735 563 HD2 ARG 71 2HD ARG 71 9.406 13.882 -1.749 564 HD3 ARG 71 3HD ARG 71 11.075 13.811 -2.311 565 HE ARG 71 HE ARG 71 10.387 14.092 -4.543 566 HH11 ARG 71 1HH2 ARG 71 7.519 14.074 -2.490 567 HH12 ARG 71 2HH2 ARG 71 6.488 14.536 -3.815 568 HH21 ARG 71 1HH1 ARG 71 9.005 14.742 -6.139 569 HH22 ARG 71 2HH1 ARG 71 7.313 14.948 -5.801 570 HA PRO 72 HA PRO 72 12.135 7.927 2.318 571 HB2 PRO 72 2HB PRO 72 14.050 10.227 2.694 572 HB3 PRO 72 3HB PRO 72 14.299 8.488 3.024 573 HG2 PRO 72 2HG PRO 72 15.228 9.555 0.702 574 HG3 PRO 72 3HG PRO 72 14.357 7.988 0.652 575 HD2 PRO 72 2HD PRO 72 13.299 10.751 0.007 576 HD3 PRO 72 3HD PRO 72 13.054 9.216 -0.877 577 H GLU 73 H GLU 73 11.446 11.420 2.381 578 HA GLU 73 HA GLU 73 11.072 11.752 5.164 579 HB2 GLU 73 2HB GLU 73 9.283 13.076 3.094 580 HB3 GLU 73 3HB GLU 73 9.899 13.762 4.590 581 HG2 GLU 73 2HG GLU 73 11.406 13.248 1.991 582 HG3 GLU 73 3HG GLU 73 10.926 14.804 2.643 583 H TYR 74 H TYR 74 9.072 10.094 2.879 584 HA TYR 74 HA TYR 74 7.170 9.279 4.911 585 HB2 TYR 74 2HB TYR 74 5.235 9.981 3.326 586 HB3 TYR 74 3HB TYR 74 5.929 11.093 4.474 587 HD1 TYR 74 HD2 TYR 74 6.749 10.093 0.916 588 HD2 TYR 74 HD1 TYR 74 6.120 13.272 3.757 589 HE1 TYR 74 HE2 TYR 74 7.203 11.784 -0.864 590 HE2 TYR 74 HE1 TYR 74 6.582 14.951 1.983 591 HH TYR 74 HH TYR 74 7.123 15.298 -0.205 592 H SER 75 H SER 75 8.864 7.582 4.054 593 HA SER 75 HA SER 75 8.109 5.994 1.760 594 HB2 SER 75 2HB SER 75 9.828 5.450 4.174 595 HB3 SER 75 3HB SER 75 9.596 4.325 2.827 596 HG SER 75 HG SER 75 11.418 5.581 2.423 597 H ALA 76 H ALA 76 7.921 3.367 2.787 598 HA ALA 76 HA ALA 76 5.175 3.070 3.237 599 HB1 ALA 76 1HB ALA 76 6.646 1.301 2.385 600 HB2 ALA 76 2HB ALA 76 7.471 1.201 3.963 601 HB3 ALA 76 3HB ALA 76 5.758 0.754 3.819 602 H SER 77 H SER 77 7.588 3.827 5.694 603 HA SER 77 HA SER 77 6.142 2.970 7.988 604 HB2 SER 77 2HB SER 77 8.026 5.346 7.794 605 HB3 SER 77 3HB SER 77 7.651 4.380 9.229 606 HG SER 77 HG SER 77 9.663 3.816 8.269 607 H GLN 78 H GLN 78 5.546 5.618 5.792 608 HA GLN 78 HA GLN 78 3.775 6.953 7.685 609 HB2 GLN 78 2HB GLN 78 5.212 7.960 5.225 610 HB3 GLN 78 3HB GLN 78 3.908 8.846 5.992 611 HG2 GLN 78 2HG GLN 78 5.852 9.788 6.907 612 HG3 GLN 78 3HG GLN 78 5.132 8.806 8.171 613 HE21 GLN 78 2HE2 GLN 78 7.134 8.584 9.338 614 HE22 GLN 78 1HE2 GLN 78 8.509 7.721 8.623 615 H LEU 79 H LEU 79 3.104 4.465 6.172 616 HA LEU 79 HA LEU 79 0.652 5.332 4.725 617 HB2 LEU 79 2HB LEU 79 1.845 2.632 5.471 618 HB3 LEU 79 3HB LEU 79 0.272 2.805 4.716 619 HG LEU 79 HG LEU 79 2.693 3.962 3.318 620 HD11 LEU 79 1HD1 LEU 79 3.326 1.596 3.894 621 HD12 LEU 79 2HD1 LEU 79 1.867 1.037 3.081 622 HD13 LEU 79 3HD1 LEU 79 3.123 1.874 2.157 623 HD21 LEU 79 3HD2 LEU 79 1.385 3.533 1.353 624 HD22 LEU 79 1HD2 LEU 79 0.249 2.510 2.241 625 HD23 LEU 79 2HD2 LEU 79 0.304 4.248 2.551 626 H LYS 80 H LYS 80 -1.346 5.381 5.622 627 HA LYS 80 HA LYS 80 -1.764 5.463 8.411 628 HB2 LYS 80 2HB LYS 80 -3.863 4.689 6.323 629 HB3 LYS 80 3HB LYS 80 -4.179 5.193 7.984 630 HG2 LYS 80 2HG LYS 80 -3.015 7.359 7.467 631 HG3 LYS 80 3HG LYS 80 -2.994 6.872 5.758 632 HD2 LYS 80 2HD LYS 80 -5.457 7.279 7.527 633 HD3 LYS 80 3HD LYS 80 -4.846 8.433 6.337 634 HE2 LYS 80 2HE LYS 80 -5.256 6.804 4.518 635 HE3 LYS 80 3HE LYS 80 -5.867 5.631 5.698 636 HZ1 LYS 80 3HZ LYS 80 -7.685 6.856 4.648 637 HZ2 LYS 80 1HZ LYS 80 -7.649 7.199 6.243 638 HZ3 LYS 80 2HZ LYS 80 -7.090 8.288 5.159 639 H GLY 81 H GLY 81 -2.069 3.984 9.962 640 HA2 GLY 81 2HA GLY 81 -2.442 1.983 11.046 641 HA3 GLY 81 3HA GLY 81 -3.201 1.371 9.575 642 H PHE 82 H PHE 82 0.064 2.333 8.904 643 HA PHE 82 HA PHE 82 0.972 -0.281 8.284 644 HB2 PHE 82 2HB PHE 82 2.100 1.508 7.285 645 HB3 PHE 82 3HB PHE 82 2.276 2.398 8.792 646 HD1 PHE 82 HD1 PHE 82 3.732 -0.306 6.709 647 HD2 PHE 82 HD2 PHE 82 4.050 1.986 10.348 648 HE1 PHE 82 HE1 PHE 82 6.036 -1.166 7.061 649 HE2 PHE 82 HE2 PHE 82 6.342 1.094 10.712 650 HZ PHE 82 HZ PHE 82 7.319 -0.505 9.074 651 H SER 83 H SER 83 1.340 1.653 11.255 652 HA SER 83 HA SER 83 3.087 -0.041 12.694 653 HB2 SER 83 2HB SER 83 2.240 1.247 14.648 654 HB3 SER 83 3HB SER 83 2.617 2.287 13.253 655 HG SER 83 HG SER 83 0.585 2.799 14.218 656 H LEU 84 H LEU 84 -0.294 -0.467 12.002 657 HA LEU 84 HA LEU 84 -0.771 -2.358 14.221 658 HB2 LEU 84 2HB LEU 84 -2.662 -1.356 12.066 659 HB3 LEU 84 3HB LEU 84 -3.097 -2.244 13.518 660 HG LEU 84 HG LEU 84 -1.983 0.596 13.429 661 HD11 LEU 84 1HD1 LEU 84 -4.745 -0.463 14.141 662 HD12 LEU 84 2HD1 LEU 84 -4.219 1.234 14.190 663 HD13 LEU 84 3HD1 LEU 84 -4.306 0.382 12.639 664 HD21 LEU 84 3HD2 LEU 84 -2.917 -1.077 15.805 665 HD22 LEU 84 1HD2 LEU 84 -1.258 -0.502 15.506 666 HD23 LEU 84 2HD2 LEU 84 -2.541 0.661 15.849 667 H LEU 85 H LEU 85 0.470 -2.635 11.083 668 HA LEU 85 HA LEU 85 -0.657 -5.240 10.405 669 HB2 LEU 85 2HB LEU 85 1.607 -3.534 9.383 670 HB3 LEU 85 3HB LEU 85 1.614 -5.239 9.013 671 HG LEU 85 HG LEU 85 -0.494 -5.121 7.855 672 HD11 LEU 85 1HD1 LEU 85 -1.623 -2.994 7.356 673 HD12 LEU 85 2HD1 LEU 85 -1.690 -3.358 9.080 674 HD13 LEU 85 3HD1 LEU 85 -0.535 -2.149 8.478 675 HD21 LEU 85 3HD2 LEU 85 1.368 -2.881 6.984 676 HD22 LEU 85 1HD2 LEU 85 1.579 -4.609 6.630 677 HD23 LEU 85 2HD2 LEU 85 0.193 -3.738 5.959 678 H ALA 86 H ALA 86 0.795 -7.199 10.232 679 HA ALA 86 HA ALA 86 1.986 -7.892 12.783 680 HB1 ALA 86 1HB ALA 86 0.851 -9.535 11.300 681 HB2 ALA 86 2HB ALA 86 2.121 -9.296 10.080 682 HB3 ALA 86 3HB ALA 86 2.527 -10.003 11.656 683 H THR 87 H THR 87 4.188 -8.215 13.267 684 HA THR 87 HA THR 87 5.972 -6.251 12.515 685 HB THR 87 HB THR 87 6.798 -9.017 13.441 686 HG1 THR 87 1HG THR 87 6.384 -8.233 15.520 687 HG21 THR 87 1HG2 THR 87 8.695 -7.491 12.982 688 HG22 THR 87 2HG2 THR 87 7.947 -6.237 13.995 689 HG23 THR 87 3HG2 THR 87 8.524 -7.755 14.721 690 H GLU 88 H GLU 88 5.831 -9.564 11.131 691 HA GLU 88 HA GLU 88 8.124 -9.296 9.464 692 HB2 GLU 88 2HB GLU 88 7.336 -11.276 8.335 693 HB3 GLU 88 3HB GLU 88 7.146 -11.441 10.080 694 HG2 GLU 88 2HG GLU 88 4.700 -10.870 9.820 695 HG3 GLU 88 3HG GLU 88 4.929 -10.852 8.070 696 H ASP 89 H ASP 89 4.767 -8.232 8.882 697 HA ASP 89 HA ASP 89 5.334 -7.541 6.074 698 HB2 ASP 89 2HB ASP 89 2.973 -6.940 7.884 699 HB3 ASP 89 3HB ASP 89 3.094 -6.476 6.188 700 H LYS 90 H LYS 90 5.169 -5.852 9.216 701 HA LYS 90 HA LYS 90 5.665 -3.193 8.228 702 HB2 LYS 90 2HB LYS 90 6.241 -4.528 10.902 703 HB3 LYS 90 3HB LYS 90 6.544 -2.809 10.593 704 HG2 LYS 90 2HG LYS 90 4.274 -2.334 10.189 705 HG3 LYS 90 3HG LYS 90 3.822 -4.036 10.076 706 HD2 LYS 90 2HD LYS 90 3.048 -3.090 12.161 707 HD3 LYS 90 3HD LYS 90 4.219 -4.386 12.443 708 HE2 LYS 90 2HE LYS 90 5.973 -2.724 12.919 709 HE3 LYS 90 3HE LYS 90 4.852 -1.407 12.543 710 HZ1 LYS 90 3HZ LYS 90 4.532 -3.359 14.768 711 HZ2 LYS 90 1HZ LYS 90 4.948 -1.789 14.939 712 HZ3 LYS 90 2HZ LYS 90 3.447 -2.190 14.409 713 H GLU 91 H GLU 91 7.914 -5.827 9.073 714 HA GLU 91 HA GLU 91 10.316 -4.357 8.361 715 HB2 GLU 91 2HB GLU 91 9.706 -7.341 8.448 716 HB3 GLU 91 3HB GLU 91 11.291 -6.661 8.062 717 HG2 GLU 91 2HG GLU 91 11.316 -5.496 10.267 718 HG3 GLU 91 3HG GLU 91 9.796 -6.280 10.689 719 H ALA 92 H ALA 92 8.300 -6.702 6.451 720 HA ALA 92 HA ALA 92 9.923 -6.586 4.164 721 HB1 ALA 92 1HB ALA 92 6.958 -7.195 4.380 722 HB2 ALA 92 2HB ALA 92 8.026 -7.638 3.027 723 HB3 ALA 92 3HB ALA 92 8.297 -8.345 4.633 724 H LEU 93 H LEU 93 7.117 -4.468 4.919 725 HA LEU 93 HA LEU 93 7.087 -3.173 2.333 726 HB2 LEU 93 2HB LEU 93 6.098 -2.303 5.072 727 HB3 LEU 93 3HB LEU 93 5.777 -1.422 3.581 728 HG LEU 93 HG LEU 93 4.869 -4.293 4.029 729 HD11 LEU 93 1HD1 LEU 93 3.340 -1.671 4.323 730 HD12 LEU 93 2HD1 LEU 93 2.642 -3.303 4.417 731 HD13 LEU 93 3HD1 LEU 93 3.801 -2.773 5.643 732 HD21 LEU 93 3HD2 LEU 93 5.041 -3.661 1.651 733 HD22 LEU 93 1HD2 LEU 93 3.357 -3.834 2.153 734 HD23 LEU 93 2HD2 LEU 93 4.052 -2.212 1.966 735 H LYS 94 H LYS 94 8.785 -2.378 5.393 736 HA LYS 94 HA LYS 94 10.082 0.013 4.339 737 HB2 LYS 94 2HB LYS 94 10.710 -1.787 6.714 738 HB3 LYS 94 3HB LYS 94 11.607 -0.315 6.320 739 HG2 LYS 94 2HG LYS 94 9.471 0.995 6.458 740 HG3 LYS 94 3HG LYS 94 8.649 -0.457 7.026 741 HD2 LYS 94 2HD LYS 94 10.974 0.976 8.387 742 HD3 LYS 94 3HD LYS 94 9.283 1.004 8.897 743 HE2 LYS 94 2HE LYS 94 9.370 -1.454 9.309 744 HE3 LYS 94 3HE LYS 94 11.070 -1.470 8.829 745 HZ1 LYS 94 3HZ LYS 94 11.550 0.029 10.688 746 HZ2 LYS 94 1HZ LYS 94 9.979 0.053 11.138 747 HZ3 LYS 94 2HZ LYS 94 10.840 -1.330 11.242 748 H LYS 95 H LYS 95 11.003 -3.420 4.482 749 HA LYS 95 HA LYS 95 13.662 -3.089 3.498 750 HB2 LYS 95 2HB LYS 95 11.726 -5.416 3.394 751 HB3 LYS 95 3HB LYS 95 13.328 -5.519 2.655 752 HG2 LYS 95 2HG LYS 95 14.445 -5.088 4.754 753 HG3 LYS 95 3HG LYS 95 12.932 -4.712 5.565 754 HD2 LYS 95 2HD LYS 95 13.635 -6.913 6.228 755 HD3 LYS 95 3HD LYS 95 12.170 -7.064 5.248 756 HE2 LYS 95 2HE LYS 95 13.546 -7.679 3.273 757 HE3 LYS 95 3HE LYS 95 15.022 -7.452 4.220 758 HZ1 LYS 95 3HZ LYS 95 14.387 -9.792 4.119 759 HZ2 LYS 95 1HZ LYS 95 14.300 -9.279 5.663 760 HZ3 LYS 95 2HZ LYS 95 12.932 -9.491 4.792 761 H GLN 96 H GLN 96 10.700 -2.842 1.790 762 HA GLN 96 HA GLN 96 11.962 -2.938 -0.899 763 HB2 GLN 96 2HB GLN 96 9.190 -3.114 0.220 764 HB3 GLN 96 3HB GLN 96 9.357 -2.309 -1.328 765 HG2 GLN 96 2HG GLN 96 8.866 -4.795 -1.414 766 HG3 GLN 96 3HG GLN 96 10.175 -4.194 -2.426 767 HE21 GLN 96 2HE2 GLN 96 9.868 -5.530 0.986 768 HE22 GLN 96 1HE2 GLN 96 11.225 -6.624 0.739 769 H LEU 97 H LEU 97 10.289 -0.541 1.214 770 HA LEU 97 HA LEU 97 12.077 1.488 0.096 771 HB2 LEU 97 2HB LEU 97 10.333 3.190 -0.146 772 HB3 LEU 97 3HB LEU 97 10.420 1.996 -1.412 773 HG LEU 97 HG LEU 97 8.390 1.455 0.748 774 HD11 LEU 97 1HD1 LEU 97 8.030 3.618 -1.367 775 HD12 LEU 97 2HD1 LEU 97 6.772 2.984 -0.287 776 HD13 LEU 97 3HD1 LEU 97 8.139 3.887 0.384 777 HD21 LEU 97 3HD2 LEU 97 8.637 -0.031 -1.215 778 HD22 LEU 97 1HD2 LEU 97 7.056 0.759 -1.196 779 HD23 LEU 97 2HD2 LEU 97 8.314 1.343 -2.297 780 HA PRO 98 HA PRO 98 11.607 2.177 4.558 781 HB2 PRO 98 2HB PRO 98 14.293 2.424 5.159 782 HB3 PRO 98 3HB PRO 98 13.395 0.885 5.064 783 HG2 PRO 98 2HG PRO 98 15.429 1.920 3.191 784 HG3 PRO 98 3HG PRO 98 14.747 0.269 3.352 785 HD2 PRO 98 2HD PRO 98 14.026 2.377 1.454 786 HD3 PRO 98 3HD PRO 98 13.541 0.658 1.489 787 H GLY 99 H GLY 99 11.943 4.213 5.865 788 HA2 GLY 99 2HA GLY 99 13.372 6.478 4.638 789 HA3 GLY 99 3HA GLY 99 11.623 6.628 4.730 790 H VAL 100 H VAL 100 11.893 8.453 6.015 791 HA VAL 100 HA VAL 100 13.336 8.569 8.457 792 HB VAL 100 HB VAL 100 11.092 10.286 7.313 793 HG11 VAL 100 1HG1 VAL 100 12.865 10.874 9.728 794 HG12 VAL 100 2HG1 VAL 100 11.830 12.057 8.900 795 HG13 VAL 100 3HG1 VAL 100 11.091 10.694 9.730 796 HG21 VAL 100 3HG2 VAL 100 14.111 10.717 7.501 797 HG22 VAL 100 1HG2 VAL 100 13.219 10.310 6.023 798 HG23 VAL 100 2HG2 VAL 100 12.939 11.861 6.817 799 H LYS 101 H LYS 101 12.650 8.642 10.534 800 HA LYS 101 HA LYS 101 10.468 6.732 11.136 801 HB2 LYS 101 2HB LYS 101 12.942 6.216 11.514 802 HB3 LYS 101 3HB LYS 101 12.900 7.391 12.843 803 HG2 LYS 101 2HG LYS 101 10.997 6.123 13.818 804 HG3 LYS 101 3HG LYS 101 11.110 4.955 12.488 805 HD2 LYS 101 2HD LYS 101 13.336 4.270 13.207 806 HD3 LYS 101 3HD LYS 101 13.384 5.525 14.449 807 HE2 LYS 101 2HE LYS 101 11.376 3.219 14.366 808 HE3 LYS 101 3HE LYS 101 12.863 3.219 15.318 809 HZ1 LYS 101 3HZ LYS 101 12.011 5.231 16.464 810 HZ2 LYS 101 1HZ LYS 101 10.588 5.107 15.670 811 HZ3 LYS 101 2HZ LYS 101 11.045 3.918 16.706 812 H SER 102 H SER 102 9.002 8.690 10.908 813 HA SER 102 HA SER 102 8.956 10.672 12.998 814 HB2 SER 102 2HB SER 102 6.656 11.133 12.216 815 HB3 SER 102 3HB SER 102 7.865 11.146 10.925 816 HG SER 102 HG SER 102 5.791 10.002 10.582 817 H GLU 103 H GLU 103 7.744 7.378 12.884 818 HA GLU 103 HA GLU 103 6.204 7.643 15.382 819 HB2 GLU 103 2HB GLU 103 5.533 5.984 13.723 820 HB3 GLU 103 3HB GLU 103 7.085 5.150 13.876 821 HG2 GLU 103 2HG GLU 103 6.623 4.507 16.154 822 HG3 GLU 103 3HG GLU 103 5.278 5.639 16.276 823 H GLY 104 H GLY 104 7.115 7.808 17.337 824 HA2 GLY 104 2HA GLY 104 8.647 7.441 19.079 825 HA3 GLY 104 3HA GLY 104 9.726 6.567 17.995 826 H LYS 105 H LYS 105 8.710 9.533 16.620 827 HA LYS 105 HA LYS 105 9.671 11.539 16.213 828 HB2 LYS 105 2HB LYS 105 8.734 11.712 18.548 829 HB3 LYS 105 3HB LYS 105 10.380 11.534 19.164 830 HG2 LYS 105 2HG LYS 105 11.045 13.589 17.886 831 HG3 LYS 105 3HG LYS 105 9.388 13.721 17.269 832 HD2 LYS 105 2HD LYS 105 8.543 13.977 19.590 833 HD3 LYS 105 3HD LYS 105 10.205 13.834 20.209 834 HE2 LYS 105 2HE LYS 105 10.859 15.847 18.904 835 HE3 LYS 105 3HE LYS 105 9.207 15.988 18.286 836 HZ1 LYS 105 3HZ LYS 105 9.976 16.195 21.151 837 HZ2 LYS 105 1HZ LYS 105 9.567 17.449 20.192 838 HZ3 LYS 105 2HZ LYS 105 8.450 16.326 20.580 839 H ARG 106 H ARG 106 11.151 10.045 15.035 840 HA ARG 106 HA ARG 106 13.034 9.668 13.995 841 HB2 ARG 106 2HB ARG 106 13.124 12.107 13.892 842 HB3 ARG 106 3HB ARG 106 14.040 12.170 15.394 843 HG2 ARG 106 2HG ARG 106 15.477 12.538 13.458 844 HG3 ARG 106 3HG ARG 106 15.959 11.098 14.342 845 HD2 ARG 106 2HD ARG 106 14.666 9.720 12.600 846 HD3 ARG 106 3HD ARG 106 14.395 11.227 11.725 847 HE ARG 106 HE ARG 106 16.602 11.199 10.999 848 HH11 ARG 106 1HH2 ARG 106 16.376 8.814 13.595 849 HH12 ARG 106 2HH2 ARG 106 17.932 8.137 13.193 850 HH21 ARG 106 1HH1 ARG 106 18.578 10.287 10.596 851 HH22 ARG 106 2HH1 ARG 106 19.144 8.959 11.565 852 H LYS 107 H LYS 107 13.420 9.648 17.444 853 HA LYS 107 HA LYS 107 15.932 8.180 17.497 854 HB2 LYS 107 2HB LYS 107 13.624 8.407 19.484 855 HB3 LYS 107 3HB LYS 107 15.083 7.461 19.783 856 HG2 LYS 107 2HG LYS 107 16.470 9.516 19.454 857 HG3 LYS 107 3HG LYS 107 14.975 10.471 19.336 858 HD2 LYS 107 2HD LYS 107 14.313 9.782 21.600 859 HD3 LYS 107 3HD LYS 107 15.692 8.669 21.693 860 HE2 LYS 107 2HE LYS 107 17.239 10.632 21.438 861 HE3 LYS 107 3HE LYS 107 15.837 11.709 21.539 862 HZ1 LYS 107 3HZ LYS 107 15.394 10.801 23.757 863 HZ2 LYS 107 1HZ LYS 107 16.640 9.745 23.632 864 HZ3 LYS 107 2HZ LYS 107 16.931 11.358 23.713 865 H GLY 108 H GLY 108 16.257 5.968 17.944 866 HA2 GLY 108 2HA GLY 108 14.727 4.071 16.430 867 HA3 GLY 108 3HA GLY 108 16.003 3.711 17.594 868 H ASP 109 H ASP 109 14.239 5.274 19.638 869 HA ASP 109 HA ASP 109 12.908 4.829 21.353 870 HB2 ASP 109 2HB ASP 109 11.226 4.974 19.500 871 HB3 ASP 109 3HB ASP 109 11.171 3.212 19.478 872 H GLU 110 H GLU 110 15.050 2.804 20.599 873 HA GLU 110 HA GLU 110 14.544 0.996 22.883 874 HB2 GLU 110 2HB GLU 110 15.507 0.036 20.150 875 HB3 GLU 110 3HB GLU 110 15.560 -0.904 21.643 876 HG2 GLU 110 2HG GLU 110 13.066 -0.728 21.812 877 HG3 GLU 110 3HG GLU 110 13.043 0.069 20.234 878 H VAL 111 H VAL 111 16.401 0.469 24.009 879 HA VAL 111 HA VAL 111 18.408 0.856 24.954 880 HB VAL 111 HB VAL 111 19.666 0.576 22.218 881 HG11 VAL 111 1HG1 VAL 111 21.193 0.908 24.184 882 HG12 VAL 111 2HG1 VAL 111 20.431 -0.473 24.991 883 HG13 VAL 111 3HG1 VAL 111 21.353 -0.703 23.490 884 HG21 VAL 111 3HG2 VAL 111 18.444 -1.628 23.936 885 HG22 VAL 111 1HG2 VAL 111 17.962 -1.171 22.284 886 HG23 VAL 111 2HG2 VAL 111 19.543 -1.891 22.564 887 H ASP 112 H ASP 112 17.245 3.153 24.933 888 HA ASP 112 HA ASP 112 19.442 5.121 24.628 889 HB2 ASP 112 2HB ASP 112 18.008 5.378 22.626 890 HB3 ASP 112 3HB ASP 112 16.604 5.623 23.658 Start of MODEL 22 1 H1 GLY 1 H1 GLY 1 10.076 22.854 17.487 2 H2 GLY 1 H2 GLY 1 8.807 23.327 18.405 3 H3 GLY 1 H3 GLY 1 9.083 24.048 16.960 4 HA2 GLY 1 2HA GLY 1 7.235 22.530 16.761 5 HA3 GLY 1 3HA GLY 1 8.613 22.008 15.776 6 H SER 2 H SER 2 7.462 19.910 15.924 7 HA SER 2 HA SER 2 8.492 18.260 18.153 8 HB2 SER 2 2HB SER 2 6.300 17.176 18.486 9 HB3 SER 2 3HB SER 2 6.279 18.888 18.932 10 HG SER 2 HG SER 2 4.440 18.298 17.691 11 H LYS 3 H LYS 3 8.315 15.940 17.732 12 HA LYS 3 HA LYS 3 9.078 15.281 14.986 13 HB2 LYS 3 2HB LYS 3 8.767 13.547 17.473 14 HB3 LYS 3 3HB LYS 3 9.401 12.989 15.921 15 HG2 LYS 3 2HG LYS 3 11.251 14.639 16.064 16 HG3 LYS 3 3HG LYS 3 10.644 15.185 17.638 17 HD2 LYS 3 2HD LYS 3 10.961 12.900 18.558 18 HD3 LYS 3 3HD LYS 3 11.591 12.359 16.986 19 HE2 LYS 3 2HE LYS 3 13.422 14.030 17.146 20 HE3 LYS 3 3HE LYS 3 12.791 14.582 18.703 21 HZ1 LYS 3 3HZ LYS 3 14.600 12.990 18.996 22 HZ2 LYS 3 1HZ LYS 3 13.223 12.353 19.593 23 HZ3 LYS 3 2HZ LYS 3 13.806 11.841 18.154 24 H ALA 4 H ALA 4 8.090 13.875 13.566 25 HA ALA 4 HA ALA 4 5.157 13.653 13.775 26 HB1 ALA 4 1HB ALA 4 7.056 13.003 11.490 27 HB2 ALA 4 2HB ALA 4 5.282 13.007 11.413 28 HB3 ALA 4 3HB ALA 4 6.156 14.522 11.709 29 H GLU 5 H GLU 5 4.012 11.811 13.945 30 HA GLU 5 HA GLU 5 5.364 9.144 14.035 31 HB2 GLU 5 2HB GLU 5 3.408 10.227 16.105 32 HB3 GLU 5 3HB GLU 5 4.052 8.581 16.046 33 HG2 GLU 5 2HG GLU 5 6.360 9.492 16.338 34 HG3 GLU 5 3HG GLU 5 5.671 11.108 16.543 35 H LYS 6 H LYS 6 3.818 10.384 11.922 36 HA LYS 6 HA LYS 6 1.320 8.749 11.809 37 HB2 LYS 6 2HB LYS 6 0.026 10.736 11.242 38 HB3 LYS 6 3HB LYS 6 0.790 10.927 12.813 39 HG2 LYS 6 2HG LYS 6 2.533 12.381 11.834 40 HG3 LYS 6 3HG LYS 6 1.858 12.134 10.215 41 HD2 LYS 6 2HD LYS 6 -0.272 13.183 10.943 42 HD3 LYS 6 3HD LYS 6 0.420 13.450 12.559 43 HE2 LYS 6 2HE LYS 6 2.223 14.836 11.545 44 HE3 LYS 6 3HE LYS 6 1.532 14.564 9.941 45 HZ1 LYS 6 3HZ LYS 6 0.151 15.963 12.172 46 HZ2 LYS 6 1HZ LYS 6 0.807 16.689 10.867 47 HZ3 LYS 6 2HZ LYS 6 -0.487 15.712 10.688 48 H THR 7 H THR 7 0.159 9.077 9.732 49 HA THR 7 HA THR 7 1.615 8.394 7.385 50 HB THR 7 HB THR 7 -1.180 9.541 7.621 51 HG1 THR 7 1HG THR 7 -0.246 6.919 8.090 52 HG21 THR 7 1HG2 THR 7 -0.125 8.894 5.243 53 HG22 THR 7 2HG2 THR 7 -0.541 7.280 5.751 54 HG23 THR 7 3HG2 THR 7 -1.782 8.549 5.656 55 H LEU 8 H LEU 8 1.979 9.604 5.446 56 HA LEU 8 HA LEU 8 2.264 12.498 5.730 57 HB2 LEU 8 2HB LEU 8 3.371 12.530 3.770 58 HB3 LEU 8 3HB LEU 8 3.716 10.899 4.300 59 HG LEU 8 HG LEU 8 1.701 11.766 2.164 60 HD11 LEU 8 1HD1 LEU 8 4.087 11.876 1.510 61 HD12 LEU 8 2HD1 LEU 8 4.273 10.163 1.947 62 HD13 LEU 8 3HD1 LEU 8 3.196 10.634 0.617 63 HD21 LEU 8 3HD2 LEU 8 2.399 8.963 3.107 64 HD22 LEU 8 1HD2 LEU 8 0.826 9.740 3.281 65 HD23 LEU 8 2HD2 LEU 8 1.426 9.363 1.671 66 H GLY 9 H GLY 9 -0.463 10.634 5.081 67 HA2 GLY 9 2HA GLY 9 -2.634 11.439 4.935 68 HA3 GLY 9 3HA GLY 9 -2.048 13.006 4.395 69 H ASP 10 H ASP 10 -1.033 10.053 2.617 70 HA ASP 10 HA ASP 10 -3.116 10.578 0.588 71 HB2 ASP 10 2HB ASP 10 -0.674 11.809 0.313 72 HB3 ASP 10 3HB ASP 10 -0.403 10.305 -0.575 73 H PHE 11 H PHE 11 -1.183 8.136 2.115 74 HA PHE 11 HA PHE 11 -2.566 6.164 0.447 75 HB2 PHE 11 2HB PHE 11 -0.333 4.872 0.187 76 HB3 PHE 11 3HB PHE 11 -0.829 6.093 -0.934 77 HD1 PHE 11 HD2 PHE 11 1.250 6.074 2.263 78 HD2 PHE 11 HD1 PHE 11 0.820 7.377 -1.830 79 HE1 PHE 11 HE2 PHE 11 3.570 6.926 2.284 80 HE2 PHE 11 HE1 PHE 11 3.108 8.323 -1.760 81 HZ PHE 11 HZ PHE 11 4.501 8.067 0.287 82 H ALA 12 H ALA 12 -2.503 3.987 1.192 83 HA ALA 12 HA ALA 12 -2.428 3.775 4.165 84 HB1 ALA 12 1HB ALA 12 -4.739 3.020 2.341 85 HB2 ALA 12 2HB ALA 12 -4.712 2.936 4.110 86 HB3 ALA 12 3HB ALA 12 -4.667 4.512 3.284 87 H ALA 13 H ALA 13 -2.545 1.656 5.019 88 HA ALA 13 HA ALA 13 -1.992 -0.662 3.238 89 HB1 ALA 13 1HB ALA 13 -0.381 0.143 5.709 90 HB2 ALA 13 2HB ALA 13 -0.070 -1.237 4.619 91 HB3 ALA 13 3HB ALA 13 0.123 0.429 4.036 92 H GLU 14 H GLU 14 -2.975 -2.593 3.949 93 HA GLU 14 HA GLU 14 -3.723 -3.023 6.714 94 HB2 GLU 14 2HB GLU 14 -6.135 -3.285 6.281 95 HB3 GLU 14 3HB GLU 14 -5.620 -1.614 6.110 96 HG2 GLU 14 2HG GLU 14 -5.710 -1.764 3.676 97 HG3 GLU 14 3HG GLU 14 -6.000 -3.505 3.751 98 H TYR 15 H TYR 15 -4.830 -5.239 6.876 99 HA TYR 15 HA TYR 15 -3.913 -7.088 4.761 100 HB2 TYR 15 2HB TYR 15 -5.532 -7.533 7.284 101 HB3 TYR 15 3HB TYR 15 -4.989 -8.792 6.177 102 HD1 TYR 15 HD1 TYR 15 -2.291 -8.318 5.505 103 HD2 TYR 15 HD2 TYR 15 -4.197 -7.300 9.226 104 HE1 TYR 15 HE1 TYR 15 -0.157 -8.780 6.724 105 HE2 TYR 15 HE2 TYR 15 -2.051 -7.689 10.428 106 HH TYR 15 HH TYR 15 0.890 -8.837 8.709 107 H ALA 16 H ALA 16 -5.068 -7.950 3.196 108 HA ALA 16 HA ALA 16 -7.421 -6.680 2.286 109 HB1 ALA 16 1HB ALA 16 -6.105 -9.275 1.458 110 HB2 ALA 16 2HB ALA 16 -7.320 -8.390 0.505 111 HB3 ALA 16 3HB ALA 16 -5.730 -7.667 0.815 112 H LYS 17 H LYS 17 -9.152 -6.769 3.676 113 HA LYS 17 HA LYS 17 -10.160 -9.170 4.915 114 HB2 LYS 17 2HB LYS 17 -11.526 -6.509 4.301 115 HB3 LYS 17 3HB LYS 17 -12.190 -7.774 5.341 116 HG2 LYS 17 2HG LYS 17 -10.232 -7.579 6.853 117 HG3 LYS 17 3HG LYS 17 -9.592 -6.262 5.850 118 HD2 LYS 17 2HD LYS 17 -11.653 -4.943 6.260 119 HD3 LYS 17 3HD LYS 17 -12.270 -6.216 7.319 120 HE2 LYS 17 2HE LYS 17 -9.660 -4.686 7.753 121 HE3 LYS 17 3HE LYS 17 -11.202 -4.247 8.489 122 HZ1 LYS 17 3HZ LYS 17 -9.780 -6.817 8.947 123 HZ2 LYS 17 1HZ LYS 17 -9.891 -5.583 10.008 124 HZ3 LYS 17 2HZ LYS 17 -11.228 -6.419 9.597 125 H SER 18 H SER 18 -10.307 -8.193 1.678 126 HA SER 18 HA SER 18 -12.311 -10.240 0.953 127 HB2 SER 18 2HB SER 18 -13.543 -8.594 -0.412 128 HB3 SER 18 3HB SER 18 -13.570 -8.152 1.299 129 HG SER 18 HG SER 18 -13.078 -6.332 0.070 130 H ASN 19 H ASN 19 -12.244 -10.829 -1.276 131 HA ASN 19 HA ASN 19 -9.788 -10.163 -2.801 132 HB2 ASN 19 2HB ASN 19 -10.495 -12.502 -2.606 133 HB3 ASN 19 3HB ASN 19 -12.072 -12.117 -3.297 134 HD21 ASN 19 2HD2 ASN 19 -8.609 -11.457 -4.266 135 HD22 ASN 19 1HD2 ASN 19 -8.826 -12.223 -5.828 136 H ARG 20 H ARG 20 -12.333 -8.356 -2.226 137 HA ARG 20 HA ARG 20 -13.352 -7.709 -4.909 138 HB2 ARG 20 2HB ARG 20 -13.786 -6.453 -2.179 139 HB3 ARG 20 3HB ARG 20 -14.536 -5.891 -3.682 140 HG2 ARG 20 2HG ARG 20 -15.491 -8.204 -4.026 141 HG3 ARG 20 3HG ARG 20 -14.891 -8.647 -2.416 142 HD2 ARG 20 2HD ARG 20 -16.210 -6.785 -1.433 143 HD3 ARG 20 3HD ARG 20 -16.817 -6.371 -3.037 144 HE ARG 20 HE ARG 20 -17.613 -8.644 -1.331 145 HH11 ARG 20 1HH2 ARG 20 -17.870 -7.334 -4.577 146 HH12 ARG 20 2HH2 ARG 20 -19.257 -8.316 -4.953 147 HH21 ARG 20 1HH1 ARG 20 -19.377 -9.860 -1.886 148 HH22 ARG 20 2HH1 ARG 20 -20.083 -9.704 -3.468 149 H SER 21 H SER 21 -10.730 -6.579 -2.892 150 HA SER 21 HA SER 21 -10.191 -4.151 -4.398 151 HB2 SER 21 2HB SER 21 -7.891 -4.406 -3.343 152 HB3 SER 21 3HB SER 21 -9.259 -4.206 -2.242 153 HG SER 21 HG SER 21 -8.232 -6.764 -2.971 154 H THR 22 H THR 22 -8.952 -3.869 -6.165 155 HA THR 22 HA THR 22 -7.537 -6.183 -7.421 156 HB THR 22 HB THR 22 -9.193 -4.133 -8.888 157 HG1 THR 22 1HG THR 22 -10.534 -5.617 -7.865 158 HG21 THR 22 1HG2 THR 22 -8.892 -5.452 -10.890 159 HG22 THR 22 2HG2 THR 22 -7.293 -5.043 -10.256 160 HG23 THR 22 3HG2 THR 22 -7.968 -6.672 -10.006 161 H CYS 23 HN CYS 23 -5.566 -5.695 -8.246 162 HA CYS 23 HA CYS 23 -4.356 -3.280 -7.274 163 HB2 CYS 23 2HB CYS 23 -3.276 -5.415 -7.157 164 HB3 CYS 23 3HB CYS 23 -3.503 -5.676 -8.887 165 H LYS 24 H LYS 24 -4.541 -1.388 -8.318 166 HA LYS 24 HA LYS 24 -4.786 -1.113 -11.239 167 HB2 LYS 24 2HB LYS 24 -4.693 0.694 -8.860 168 HB3 LYS 24 3HB LYS 24 -3.980 1.357 -10.324 169 HG2 LYS 24 2HG LYS 24 -6.314 1.950 -10.283 170 HG3 LYS 24 3HG LYS 24 -5.970 0.885 -11.630 171 HD2 LYS 24 2HD LYS 24 -8.092 0.267 -10.696 172 HD3 LYS 24 3HD LYS 24 -6.958 -1.039 -10.352 173 HE2 LYS 24 2HE LYS 24 -6.642 -0.107 -8.036 174 HE3 LYS 24 3HE LYS 24 -7.834 1.147 -8.421 175 HZ1 LYS 24 3HZ LYS 24 -8.280 -1.757 -8.198 176 HZ2 LYS 24 1HZ LYS 24 -9.016 -0.584 -7.333 177 HZ3 LYS 24 2HZ LYS 24 -9.403 -0.773 -8.909 178 H GLY 25 H GLY 25 -2.177 -1.775 -9.213 179 HA2 GLY 25 2HA GLY 25 -0.030 -0.568 -10.745 180 HA3 GLY 25 3HA GLY 25 0.106 -1.858 -9.547 181 H CYS 26 HN CYS 26 -1.657 -3.729 -10.951 182 HA CYS 26 HA CYS 26 -0.325 -4.118 -13.564 183 HB2 CYS 26 2HB CYS 26 0.263 -6.405 -13.161 184 HB3 CYS 26 3HB CYS 26 1.023 -5.379 -11.941 185 H MET 27 H MET 27 -3.266 -3.999 -12.096 186 HA MET 27 HA MET 27 -5.345 -4.437 -12.697 187 HB2 MET 27 2HB MET 27 -4.394 -3.493 -14.913 188 HB3 MET 27 3HB MET 27 -4.506 -5.149 -15.499 189 HG2 MET 27 2HG MET 27 -6.578 -4.526 -16.113 190 HG3 MET 27 3HG MET 27 -7.008 -4.877 -14.448 191 HE1 MET 27 3HE MET 27 -5.615 -2.214 -12.977 192 HE2 MET 27 1HE MET 27 -7.054 -1.177 -12.918 193 HE3 MET 27 2HE MET 27 -7.196 -2.909 -12.539 194 H GLU 28 H GLU 28 -4.431 -6.382 -11.189 195 HA GLU 28 HA GLU 28 -6.324 -8.410 -12.016 196 HB2 GLU 28 2HB GLU 28 -5.113 -10.360 -11.824 197 HB3 GLU 28 3HB GLU 28 -4.137 -9.333 -12.870 198 HG2 GLU 28 2HG GLU 28 -2.635 -8.844 -10.960 199 HG3 GLU 28 3HG GLU 28 -3.634 -9.843 -9.907 200 H LYS 29 H LYS 29 -6.796 -9.982 -10.142 201 HA LYS 29 HA LYS 29 -7.621 -8.083 -8.137 202 HB2 LYS 29 2HB LYS 29 -8.195 -11.042 -8.092 203 HB3 LYS 29 3HB LYS 29 -9.026 -9.730 -7.234 204 HG2 LYS 29 2HG LYS 29 -9.766 -8.799 -9.456 205 HG3 LYS 29 3HG LYS 29 -9.011 -10.192 -10.248 206 HD2 LYS 29 2HD LYS 29 -11.303 -10.771 -10.055 207 HD3 LYS 29 3HD LYS 29 -10.469 -11.693 -8.796 208 HE2 LYS 29 2HE LYS 29 -11.074 -9.664 -7.244 209 HE3 LYS 29 3HE LYS 29 -12.194 -9.198 -8.523 210 HZ1 LYS 29 3HZ LYS 29 -13.201 -11.459 -8.269 211 HZ2 LYS 29 1HZ LYS 29 -12.192 -11.750 -6.997 212 HZ3 LYS 29 2HZ LYS 29 -13.309 -10.570 -6.897 213 H ILE 30 H ILE 30 -7.218 -7.922 -6.011 214 HA ILE 30 HA ILE 30 -4.666 -9.035 -5.088 215 HB ILE 30 HB ILE 30 -6.601 -6.985 -4.039 216 HG12 ILE 30 2HG1 ILE 30 -3.648 -6.670 -4.676 217 HG13 ILE 30 3HG1 ILE 30 -4.851 -6.617 -5.957 218 HG21 ILE 30 1HG2 ILE 30 -4.088 -7.929 -2.608 219 HG22 ILE 30 2HG2 ILE 30 -5.087 -6.518 -2.197 220 HG23 ILE 30 3HG2 ILE 30 -5.762 -8.130 -2.023 221 HD11 ILE 30 3HD1 ILE 30 -5.991 -4.738 -4.879 222 HD12 ILE 30 1HD1 ILE 30 -4.763 -4.730 -3.582 223 HD13 ILE 30 2HD1 ILE 30 -4.302 -4.383 -5.265 224 H GLU 31 H GLU 31 -4.334 -10.560 -3.589 225 HA GLU 31 HA GLU 31 -6.465 -12.446 -3.085 226 HB2 GLU 31 2HB GLU 31 -3.576 -12.308 -2.134 227 HB3 GLU 31 3HB GLU 31 -4.653 -13.666 -1.816 228 HG2 GLU 31 2HG GLU 31 -3.851 -12.720 -4.602 229 HG3 GLU 31 3HG GLU 31 -3.056 -14.003 -3.704 230 H LYS 32 H LYS 32 -7.550 -12.899 -1.310 231 HA LYS 32 HA LYS 32 -7.770 -11.025 0.887 232 HB2 LYS 32 2HB LYS 32 -9.646 -12.391 -0.006 233 HB3 LYS 32 3HB LYS 32 -8.857 -13.856 0.594 234 HG2 LYS 32 2HG LYS 32 -9.041 -12.990 2.928 235 HG3 LYS 32 3HG LYS 32 -9.824 -11.520 2.307 236 HD2 LYS 32 2HD LYS 32 -11.683 -12.857 1.437 237 HD3 LYS 32 3HD LYS 32 -10.872 -14.353 1.965 238 HE2 LYS 32 2HE LYS 32 -10.968 -13.582 4.319 239 HE3 LYS 32 3HE LYS 32 -11.765 -12.090 3.810 240 HZ1 LYS 32 3HZ LYS 32 -13.373 -13.734 4.585 241 HZ2 LYS 32 1HZ LYS 32 -13.630 -13.436 3.003 242 HZ3 LYS 32 2HZ LYS 32 -12.891 -14.820 3.467 243 H GLY 33 H GLY 33 -7.149 -11.218 2.988 244 HA2 GLY 33 2HA GLY 33 -6.142 -12.015 4.908 245 HA3 GLY 33 3HA GLY 33 -5.853 -13.559 4.109 246 H GLN 34 H GLN 34 -4.486 -10.962 2.364 247 HA GLN 34 HA GLN 34 -1.899 -10.995 3.814 248 HB2 GLN 34 2HB GLN 34 -0.632 -11.212 1.750 249 HB3 GLN 34 3HB GLN 34 -1.628 -12.614 2.073 250 HG2 GLN 34 2HG GLN 34 -1.775 -12.294 -0.249 251 HG3 GLN 34 3HG GLN 34 -3.312 -11.725 0.374 252 HE21 GLN 34 1HE2 GLN 34 -3.903 -9.547 -0.176 253 HE22 GLN 34 2HE2 GLN 34 -2.691 -8.364 -0.698 254 H VAL 35 H VAL 35 -0.443 -9.102 2.899 255 HA VAL 35 HA VAL 35 -1.913 -6.746 3.597 256 HB VAL 35 HB VAL 35 0.874 -6.981 2.417 257 HG11 VAL 35 1HG1 VAL 35 -0.478 -4.647 3.853 258 HG12 VAL 35 2HG1 VAL 35 1.254 -4.759 3.478 259 HG13 VAL 35 3HG1 VAL 35 0.091 -4.669 2.163 260 HG21 VAL 35 3HG2 VAL 35 -0.046 -6.686 5.314 261 HG22 VAL 35 1HG2 VAL 35 0.651 -8.156 4.595 262 HG23 VAL 35 2HG2 VAL 35 1.633 -6.704 4.751 263 H ARG 36 H ARG 36 -2.830 -5.133 2.476 264 HA ARG 36 HA ARG 36 -2.268 -4.827 -0.420 265 HB2 ARG 36 2HB ARG 36 -4.530 -4.310 -0.968 266 HB3 ARG 36 3HB ARG 36 -4.412 -5.926 -0.264 267 HG2 ARG 36 2HG ARG 36 -5.415 -5.189 1.815 268 HG3 ARG 36 3HG ARG 36 -5.420 -3.509 1.271 269 HD2 ARG 36 2HD ARG 36 -6.944 -4.095 -0.600 270 HD3 ARG 36 3HD ARG 36 -6.926 -5.784 -0.089 271 HE ARG 36 HE ARG 36 -7.835 -3.820 1.944 272 HH11 ARG 36 1HH2 ARG 36 -9.042 -6.031 -0.545 273 HH12 ARG 36 2HH2 ARG 36 -10.587 -6.164 0.255 274 HH21 ARG 36 1HH1 ARG 36 -9.696 -3.989 2.798 275 HH22 ARG 36 2HH1 ARG 36 -11.005 -4.934 2.069 276 H LEU 37 H LEU 37 -1.894 -2.798 -1.101 277 HA LEU 37 HA LEU 37 -2.048 -0.609 0.916 278 HB2 LEU 37 2HB LEU 37 -0.225 -0.617 -1.503 279 HB3 LEU 37 3HB LEU 37 -0.267 0.484 -0.108 280 HG LEU 37 HG LEU 37 1.664 -0.643 0.165 281 HD11 LEU 37 1HD1 LEU 37 0.278 -0.515 2.147 282 HD12 LEU 37 2HD1 LEU 37 -0.232 -2.200 1.938 283 HD13 LEU 37 3HD1 LEU 37 1.479 -1.818 2.229 284 HD21 LEU 37 3HD2 LEU 37 2.042 -3.017 0.077 285 HD22 LEU 37 1HD2 LEU 37 0.327 -3.369 -0.185 286 HD23 LEU 37 2HD2 LEU 37 1.263 -2.524 -1.438 287 H SER 38 H SER 38 -2.658 1.522 0.123 288 HA SER 38 HA SER 38 -3.629 1.664 -2.630 289 HB2 SER 38 2HB SER 38 -5.830 2.635 -1.985 290 HB3 SER 38 3HB SER 38 -5.647 0.945 -1.530 291 HG SER 38 HG SER 38 -6.451 1.934 0.250 292 H LYS 39 H LYS 39 -4.117 3.779 -3.401 293 HA LYS 39 HA LYS 39 -2.937 6.034 -1.799 294 HB2 LYS 39 2HB LYS 39 -1.580 5.664 -3.717 295 HB3 LYS 39 3HB LYS 39 -2.981 5.592 -4.795 296 HG2 LYS 39 2HG LYS 39 -3.424 7.948 -4.543 297 HG3 LYS 39 3HG LYS 39 -2.223 8.105 -3.238 298 HD2 LYS 39 2HD LYS 39 -0.404 7.629 -4.738 299 HD3 LYS 39 3HD LYS 39 -1.524 7.170 -6.038 300 HE2 LYS 39 2HE LYS 39 -0.850 9.247 -6.728 301 HE3 LYS 39 3HE LYS 39 -2.391 9.600 -5.940 302 HZ1 LYS 39 3HZ LYS 39 -0.577 11.138 -5.307 303 HZ2 LYS 39 1HZ LYS 39 -1.150 10.374 -3.992 304 HZ3 LYS 39 2HZ LYS 39 0.280 9.904 -4.658 305 H LYS 40 H LYS 40 -4.218 7.631 -1.247 306 HA LYS 40 HA LYS 40 -7.058 7.639 -2.103 307 HB2 LYS 40 2HB LYS 40 -6.859 7.705 0.187 308 HB3 LYS 40 3HB LYS 40 -5.567 8.866 0.194 309 HG2 LYS 40 2HG LYS 40 -8.404 9.531 -0.782 310 HG3 LYS 40 3HG LYS 40 -7.946 9.595 0.912 311 HD2 LYS 40 2HD LYS 40 -7.014 11.422 -1.306 312 HD3 LYS 40 3HD LYS 40 -7.849 11.818 0.194 313 HE2 LYS 40 2HE LYS 40 -5.849 11.173 1.499 314 HE3 LYS 40 3HE LYS 40 -5.017 10.737 -0.012 315 HZ1 LYS 40 3HZ LYS 40 -5.943 13.499 0.376 316 HZ2 LYS 40 1HZ LYS 40 -4.510 12.959 0.986 317 HZ3 LYS 40 2HZ LYS 40 -4.733 12.891 -0.604 318 H MET 41 H MET 41 -7.513 8.696 -3.906 319 HA MET 41 HA MET 41 -6.629 11.455 -4.280 320 HB2 MET 41 2HB MET 41 -5.622 11.105 -6.500 321 HB3 MET 41 3HB MET 41 -4.689 10.324 -5.227 322 HG2 MET 41 2HG MET 41 -5.694 8.138 -5.818 323 HG3 MET 41 3HG MET 41 -6.650 8.916 -7.085 324 HE1 MET 41 3HE MET 41 -4.844 6.377 -7.522 325 HE2 MET 41 1HE MET 41 -5.876 7.155 -8.748 326 HE3 MET 41 2HE MET 41 -4.176 6.771 -9.123 327 H VAL 42 H VAL 42 -8.056 12.643 -5.674 328 HA VAL 42 HA VAL 42 -10.461 11.613 -6.608 329 HB VAL 42 HB VAL 42 -8.820 13.827 -7.901 330 HG11 VAL 42 1HG1 VAL 42 -10.625 13.133 -9.400 331 HG12 VAL 42 2HG1 VAL 42 -11.801 13.200 -8.063 332 HG13 VAL 42 3HG1 VAL 42 -11.035 14.683 -8.671 333 HG21 VAL 42 3HG2 VAL 42 -10.972 13.982 -5.747 334 HG22 VAL 42 1HG2 VAL 42 -9.241 14.339 -5.533 335 HG23 VAL 42 2HG2 VAL 42 -10.227 15.366 -6.566 336 H ASP 43 H ASP 43 -11.073 10.332 -8.288 337 HA ASP 43 HA ASP 43 -9.124 8.913 -9.851 338 HB2 ASP 43 2HB ASP 43 -11.358 8.061 -9.114 339 HB3 ASP 43 3HB ASP 43 -12.125 9.126 -10.276 340 HA PRO 44 HA PRO 44 -8.809 12.174 -12.988 341 HB2 PRO 44 2HB PRO 44 -7.029 10.965 -14.712 342 HB3 PRO 44 3HB PRO 44 -6.555 11.682 -13.141 343 HG2 PRO 44 2HG PRO 44 -7.217 8.769 -13.723 344 HG3 PRO 44 3HG PRO 44 -5.764 9.426 -12.895 345 HD2 PRO 44 2HD PRO 44 -7.855 8.502 -11.492 346 HD3 PRO 44 3HD PRO 44 -7.020 9.994 -10.968 347 H GLU 45 H GLU 45 -10.083 8.963 -13.509 348 HA GLU 45 HA GLU 45 -11.197 9.733 -16.183 349 HB2 GLU 45 2HB GLU 45 -11.099 7.047 -14.757 350 HB3 GLU 45 3HB GLU 45 -11.843 7.359 -16.328 351 HG2 GLU 45 2HG GLU 45 -9.620 8.144 -17.194 352 HG3 GLU 45 3HG GLU 45 -8.885 7.666 -15.662 353 H LYS 46 H LYS 46 -12.030 9.749 -12.897 354 HA LYS 46 HA LYS 46 -14.896 10.155 -13.466 355 HB2 LYS 46 2HB LYS 46 -13.875 8.054 -11.522 356 HB3 LYS 46 3HB LYS 46 -15.531 8.670 -11.549 357 HG2 LYS 46 2HG LYS 46 -15.808 7.871 -13.867 358 HG3 LYS 46 3HG LYS 46 -14.192 7.136 -13.811 359 HD2 LYS 46 2HD LYS 46 -16.369 6.530 -11.777 360 HD3 LYS 46 3HD LYS 46 -16.172 5.613 -13.289 361 HE2 LYS 46 2HE LYS 46 -13.812 5.085 -12.631 362 HE3 LYS 46 3HE LYS 46 -14.069 5.910 -11.095 363 HZ1 LYS 46 3HZ LYS 46 -15.565 3.513 -12.022 364 HZ2 LYS 46 1HZ LYS 46 -14.411 3.524 -10.871 365 HZ3 LYS 46 2HZ LYS 46 -15.833 4.279 -10.602 366 HA PRO 47 HA PRO 47 -12.803 12.939 -10.297 367 HB2 PRO 47 2HB PRO 47 -13.452 15.386 -11.430 368 HB3 PRO 47 3HB PRO 47 -11.967 14.452 -11.777 369 HG2 PRO 47 2HG PRO 47 -14.557 14.486 -13.358 370 HG3 PRO 47 3HG PRO 47 -12.874 14.637 -13.972 371 HD2 PRO 47 2HD PRO 47 -14.175 12.282 -14.062 372 HD3 PRO 47 3HD PRO 47 -12.440 12.349 -13.626 373 H GLN 48 H GLN 48 -16.020 12.729 -11.633 374 HA GLN 48 HA GLN 48 -17.483 14.331 -9.805 375 HB2 GLN 48 2HB GLN 48 -18.304 13.373 -11.962 376 HB3 GLN 48 3HB GLN 48 -18.255 11.762 -11.254 377 HG2 GLN 48 2HG GLN 48 -20.531 12.568 -11.300 378 HG3 GLN 48 3HG GLN 48 -20.018 12.399 -9.634 379 HE21 GLN 48 2HE2 GLN 48 -22.001 13.851 -9.341 380 HE22 GLN 48 1HE2 GLN 48 -21.739 15.585 -9.488 381 H LEU 49 H LEU 49 -15.999 11.127 -9.311 382 HA LEU 49 HA LEU 49 -17.411 10.337 -6.937 383 HB2 LEU 49 2HB LEU 49 -14.547 9.983 -7.933 384 HB3 LEU 49 3HB LEU 49 -15.133 9.195 -6.484 385 HG LEU 49 HG LEU 49 -16.402 8.730 -9.212 386 HD11 LEU 49 1HD1 LEU 49 -15.058 6.629 -9.159 387 HD12 LEU 49 2HD1 LEU 49 -14.037 8.084 -9.202 388 HD13 LEU 49 3HD1 LEU 49 -14.247 7.215 -7.685 389 HD21 LEU 49 3HD2 LEU 49 -17.843 8.172 -7.281 390 HD22 LEU 49 1HD2 LEU 49 -17.254 6.689 -8.050 391 HD23 LEU 49 2HD2 LEU 49 -16.513 7.263 -6.533 392 H GLY 50 H GLY 50 -14.880 12.766 -7.415 393 HA2 GLY 50 2HA GLY 50 -13.453 13.849 -5.931 394 HA3 GLY 50 3HA GLY 50 -14.404 13.259 -4.564 395 H MET 51 H MET 51 -12.593 12.538 -3.479 396 HA MET 51 HA MET 51 -10.493 11.000 -4.557 397 HB2 MET 51 2HB MET 51 -10.984 11.296 -1.599 398 HB3 MET 51 3HB MET 51 -9.466 11.193 -2.489 399 HG2 MET 51 2HG MET 51 -10.296 13.490 -3.548 400 HG3 MET 51 3HG MET 51 -11.350 13.529 -2.138 401 HE1 MET 51 3HE MET 51 -6.793 13.949 -2.369 402 HE2 MET 51 1HE MET 51 -7.783 12.733 -3.223 403 HE3 MET 51 2HE MET 51 -7.962 14.453 -3.610 404 H ILE 52 H ILE 52 -10.057 8.892 -4.543 405 HA ILE 52 HA ILE 52 -11.693 7.035 -2.909 406 HB ILE 52 HB ILE 52 -11.506 5.394 -4.835 407 HG12 ILE 52 2HG1 ILE 52 -11.126 7.824 -6.625 408 HG13 ILE 52 3HG1 ILE 52 -9.751 6.872 -6.061 409 HG21 ILE 52 1HG2 ILE 52 -13.253 7.811 -5.380 410 HG22 ILE 52 2HG2 ILE 52 -13.529 6.114 -5.863 411 HG23 ILE 52 3HG2 ILE 52 -13.575 6.554 -4.155 412 HD11 ILE 52 3HD1 ILE 52 -12.063 5.795 -7.703 413 HD12 ILE 52 1HD1 ILE 52 -10.391 6.105 -8.220 414 HD13 ILE 52 2HD1 ILE 52 -10.720 4.828 -7.031 415 H ASP 53 H ASP 53 -10.710 4.907 -2.722 416 HA ASP 53 HA ASP 53 -7.796 5.108 -2.172 417 HB2 ASP 53 2HB ASP 53 -9.907 3.162 -1.166 418 HB3 ASP 53 3HB ASP 53 -8.197 3.117 -0.752 419 H ARG 54 H ARG 54 -6.978 4.773 -4.190 420 HA ARG 54 HA ARG 54 -7.718 2.591 -5.983 421 HB2 ARG 54 2HB ARG 54 -6.487 4.996 -6.336 422 HB3 ARG 54 3HB ARG 54 -5.056 4.014 -6.154 423 HG2 ARG 54 2HG ARG 54 -5.411 4.143 -8.449 424 HG3 ARG 54 3HG ARG 54 -5.944 2.522 -8.031 425 HD2 ARG 54 2HD ARG 54 -8.201 3.046 -8.472 426 HD3 ARG 54 3HD ARG 54 -8.029 4.702 -7.903 427 HE ARG 54 HE ARG 54 -6.547 4.604 -10.274 428 HH11 ARG 54 1HH2 ARG 54 -9.917 4.055 -9.509 429 HH12 ARG 54 2HH2 ARG 54 -10.476 5.152 -10.753 430 HH21 ARG 54 1HH1 ARG 54 -7.356 5.868 -11.964 431 HH22 ARG 54 2HH1 ARG 54 -9.077 6.171 -12.045 432 H TRP 55 H TRP 55 -7.284 0.463 -5.360 433 HA TRP 55 HA TRP 55 -5.127 -0.131 -3.527 434 HB2 TRP 55 2HB TRP 55 -7.028 -2.008 -4.943 435 HB3 TRP 55 3HB TRP 55 -5.899 -2.454 -3.670 436 HD1 TRP 55 HD1 TRP 55 -9.305 -1.005 -4.192 437 HE1 TRP 55 HE1 TRP 55 -10.408 -0.392 -1.970 438 HE3 TRP 55 HE3 TRP 55 -5.302 -1.730 -1.034 439 HZ2 TRP 55 HZ2 TRP 55 -9.633 -0.075 0.783 440 HZ3 TRP 55 HZ3 TRP 55 -5.499 -1.140 1.356 441 HH2 TRP 55 HH2 TRP 55 -7.651 -0.311 2.280 442 H TYR 56 H TYR 56 -3.439 -1.528 -3.718 443 HA TYR 56 HA TYR 56 -2.326 -2.408 -6.309 444 HB2 TYR 56 2HB TYR 56 -0.912 -0.676 -4.228 445 HB3 TYR 56 3HB TYR 56 -0.154 -1.390 -5.644 446 HD1 TYR 56 HD2 TYR 56 -0.703 -0.585 -7.907 447 HD2 TYR 56 HD1 TYR 56 -2.246 1.371 -4.416 448 HE1 TYR 56 HE2 TYR 56 -1.337 1.396 -9.306 449 HE2 TYR 56 HE1 TYR 56 -2.896 3.333 -5.795 450 HH TYR 56 HH TYR 56 -2.907 4.275 -7.891 451 H HIS 57 H HIS 57 -0.760 -4.054 -6.080 452 HA HIS 57 HA HIS 57 -0.838 -5.782 -3.717 453 HB2 HIS 57 2HB HIS 57 0.946 -5.876 -6.150 454 HB3 HIS 57 3HB HIS 57 1.037 -7.034 -4.856 455 HD2 HIS 57 HD2 HIS 57 -1.372 -8.428 -4.306 456 HE1 HIS 57 HE1 HIS 57 -2.588 -8.382 -8.378 457 HE2 HIS 57 HE2 HIS 57 -2.926 -9.509 -6.151 458 HA PRO 58 HA PRO 58 2.871 -4.279 -1.507 459 HB2 PRO 58 2HB PRO 58 3.567 -7.211 -1.369 460 HB3 PRO 58 3HB PRO 58 3.636 -5.969 -0.075 461 HG2 PRO 58 2HG PRO 58 1.553 -7.677 -0.155 462 HG3 PRO 58 3HG PRO 58 1.242 -5.926 0.100 463 HD2 PRO 58 2HD PRO 58 1.047 -7.509 -2.481 464 HD3 PRO 58 3HD PRO 58 -0.122 -6.350 -1.777 465 H GLY 59 H GLY 59 3.279 -6.512 -4.235 466 HA2 GLY 59 2HA GLY 59 6.113 -5.825 -4.663 467 HA3 GLY 59 3HA GLY 59 5.058 -6.741 -5.746 468 H CYS 60 HN CYS 60 2.982 -5.012 -6.235 469 HA CYS 60 HA CYS 60 4.138 -3.448 -8.272 470 HB2 CYS 60 2HB CYS 60 1.265 -3.468 -7.281 471 HB3 CYS 60 3HB CYS 60 1.837 -3.009 -8.893 472 H PHE 61 H PHE 61 2.646 -2.441 -5.150 473 HA PHE 61 HA PHE 61 2.520 0.320 -5.831 474 HB2 PHE 61 2HB PHE 61 1.776 0.674 -3.764 475 HB3 PHE 61 3HB PHE 61 1.587 -1.069 -3.757 476 HD1 PHE 61 HD1 PHE 61 3.483 -2.468 -2.767 477 HD2 PHE 61 HD2 PHE 61 3.223 1.778 -2.251 478 HE1 PHE 61 HE1 PHE 61 4.884 -2.652 -0.700 479 HE2 PHE 61 HE2 PHE 61 4.617 1.613 -0.177 480 HZ PHE 61 HZ PHE 61 5.412 -0.607 0.611 481 H VAL 62 H VAL 62 5.244 -1.596 -4.588 482 HA VAL 62 HA VAL 62 7.166 0.538 -4.419 483 HB VAL 62 HB VAL 62 7.703 -2.352 -5.181 484 HG11 VAL 62 1HG1 VAL 62 9.520 -0.212 -3.991 485 HG12 VAL 62 2HG1 VAL 62 9.942 -1.921 -4.205 486 HG13 VAL 62 3HG1 VAL 62 9.653 -0.915 -5.620 487 HG21 VAL 62 3HG2 VAL 62 8.213 -2.684 -2.808 488 HG22 VAL 62 1HG2 VAL 62 7.671 -1.028 -2.435 489 HG23 VAL 62 2HG2 VAL 62 6.521 -2.251 -3.019 490 H LYS 63 H LYS 63 6.170 -1.481 -7.209 491 HA LYS 63 HA LYS 63 8.119 -0.510 -9.056 492 HB2 LYS 63 2HB LYS 63 6.844 -2.581 -9.376 493 HB3 LYS 63 3HB LYS 63 5.337 -1.674 -9.486 494 HG2 LYS 63 2HG LYS 63 6.101 -0.595 -11.578 495 HG3 LYS 63 3HG LYS 63 7.626 -1.481 -11.467 496 HD2 LYS 63 2HD LYS 63 6.107 -2.563 -13.050 497 HD3 LYS 63 3HD LYS 63 6.441 -3.614 -11.684 498 HE2 LYS 63 2HE LYS 63 4.111 -3.786 -12.317 499 HE3 LYS 63 3HE LYS 63 4.234 -3.111 -10.696 500 HZ1 LYS 63 3HZ LYS 63 3.865 -1.424 -13.116 501 HZ2 LYS 63 1HZ LYS 63 2.616 -1.990 -12.233 502 HZ3 LYS 63 2HZ LYS 63 3.663 -0.954 -11.547 503 H ASN 64 H ASN 64 4.940 0.806 -8.190 504 HA ASN 64 HA ASN 64 5.421 3.157 -9.971 505 HB2 ASN 64 2HB ASN 64 2.776 3.347 -9.154 506 HB3 ASN 64 3HB ASN 64 3.402 2.895 -10.719 507 HD21 ASN 64 1HD2 ASN 64 1.897 1.674 -7.765 508 HD22 ASN 64 2HD2 ASN 64 1.580 0.091 -8.465 509 H ARG 65 H ARG 65 6.383 2.537 -6.985 510 HA ARG 65 HA ARG 65 5.210 4.258 -5.218 511 HB2 ARG 65 2HB ARG 65 7.247 4.206 -3.975 512 HB3 ARG 65 3HB ARG 65 7.104 2.670 -4.800 513 HG2 ARG 65 2HG ARG 65 8.638 3.667 -6.625 514 HG3 ARG 65 3HG ARG 65 8.917 5.016 -5.509 515 HD2 ARG 65 2HD ARG 65 9.860 3.542 -3.856 516 HD3 ARG 65 3HD ARG 65 9.461 2.108 -4.816 517 HE ARG 65 HE ARG 65 11.723 3.915 -5.161 518 HH11 ARG 65 1HH2 ARG 65 9.752 1.593 -6.940 519 HH12 ARG 65 2HH2 ARG 65 11.036 1.286 -8.082 520 HH21 ARG 65 1HH1 ARG 65 13.274 3.467 -6.671 521 HH22 ARG 65 2HH1 ARG 65 12.954 2.321 -7.938 522 H GLU 66 H GLU 66 7.497 5.210 -7.705 523 HA GLU 66 HA GLU 66 7.729 7.940 -6.790 524 HB2 GLU 66 2HB GLU 66 9.115 8.234 -8.805 525 HB3 GLU 66 3HB GLU 66 9.604 6.868 -7.791 526 HG2 GLU 66 2HG GLU 66 8.575 5.272 -9.326 527 HG3 GLU 66 3HG GLU 66 7.932 6.584 -10.323 528 H GLU 67 H GLU 67 5.562 6.276 -8.927 529 HA GLU 67 HA GLU 67 4.325 8.682 -10.049 530 HB2 GLU 67 2HB GLU 67 4.440 6.461 -11.251 531 HB3 GLU 67 3HB GLU 67 3.323 5.819 -10.050 532 HG2 GLU 67 2HG GLU 67 2.034 6.375 -11.948 533 HG3 GLU 67 3HG GLU 67 1.649 7.570 -10.723 534 H LEU 68 H LEU 68 3.683 6.253 -7.471 535 HA LEU 68 HA LEU 68 1.275 7.460 -6.469 536 HB2 LEU 68 2HB LEU 68 3.344 5.753 -5.030 537 HB3 LEU 68 3HB LEU 68 1.736 6.121 -4.427 538 HG LEU 68 HG LEU 68 2.370 4.458 -6.900 539 HD11 LEU 68 1HD1 LEU 68 1.242 3.703 -4.177 540 HD12 LEU 68 2HD1 LEU 68 1.455 2.607 -5.555 541 HD13 LEU 68 3HD1 LEU 68 2.873 3.327 -4.774 542 HD21 LEU 68 3HD2 LEU 68 -0.328 5.021 -5.638 543 HD22 LEU 68 1HD2 LEU 68 0.234 5.642 -7.216 544 HD23 LEU 68 2HD2 LEU 68 0.017 3.912 -6.980 545 H GLY 69 H GLY 69 4.677 8.186 -5.823 546 HA2 GLY 69 2HA GLY 69 5.164 10.548 -5.445 547 HA3 GLY 69 3HA GLY 69 3.782 10.661 -4.362 548 H PHE 70 H PHE 70 5.780 7.813 -3.986 549 HA PHE 70 HA PHE 70 6.635 8.515 -1.315 550 HB2 PHE 70 2HB PHE 70 7.382 6.317 -3.260 551 HB3 PHE 70 3HB PHE 70 8.208 6.502 -1.731 552 HD1 PHE 70 HD1 PHE 70 4.928 5.657 -3.262 553 HD2 PHE 70 HD2 PHE 70 7.216 5.941 0.380 554 HE1 PHE 70 HE1 PHE 70 3.224 4.292 -2.084 555 HE2 PHE 70 HE2 PHE 70 5.511 4.571 1.555 556 HZ PHE 70 HZ PHE 70 3.526 3.738 0.320 557 H ARG 71 H ARG 71 8.514 9.196 -0.554 558 HA ARG 71 HA ARG 71 10.981 9.270 -2.101 559 HB2 ARG 71 2HB ARG 71 9.885 11.801 -0.757 560 HB3 ARG 71 3HB ARG 71 11.571 11.555 -1.148 561 HG2 ARG 71 2HG ARG 71 11.015 12.721 -2.985 562 HG3 ARG 71 3HG ARG 71 10.686 11.106 -3.609 563 HD2 ARG 71 2HD ARG 71 8.240 11.472 -3.039 564 HD3 ARG 71 3HD ARG 71 8.661 13.065 -2.441 565 HE ARG 71 HE ARG 71 8.908 13.868 -4.600 566 HH11 ARG 71 1HH2 ARG 71 8.513 10.376 -4.902 567 HH12 ARG 71 2HH2 ARG 71 8.016 10.526 -6.575 568 HH21 ARG 71 1HH1 ARG 71 8.357 13.922 -6.733 569 HH22 ARG 71 2HH1 ARG 71 7.981 12.450 -7.579 570 HA PRO 72 HA PRO 72 12.529 7.466 1.452 571 HB2 PRO 72 2HB PRO 72 14.725 9.539 1.684 572 HB3 PRO 72 3HB PRO 72 14.854 7.752 1.760 573 HG2 PRO 72 2HG PRO 72 15.467 9.028 -0.531 574 HG3 PRO 72 3HG PRO 72 14.434 7.559 -0.599 575 HD2 PRO 72 2HD PRO 72 13.588 10.465 -0.683 576 HD3 PRO 72 3HD PRO 72 13.057 9.104 -1.714 577 H GLU 73 H GLU 73 12.118 10.955 1.990 578 HA GLU 73 HA GLU 73 12.240 10.809 4.870 579 HB2 GLU 73 2HB GLU 73 11.410 13.080 4.835 580 HB3 GLU 73 3HB GLU 73 12.659 12.867 3.610 581 HG2 GLU 73 2HG GLU 73 10.855 12.642 1.863 582 HG3 GLU 73 3HG GLU 73 9.651 12.954 3.114 583 H TYR 74 H TYR 74 9.764 9.773 2.721 584 HA TYR 74 HA TYR 74 8.071 9.097 5.018 585 HB2 TYR 74 2HB TYR 74 5.993 9.853 3.717 586 HB3 TYR 74 3HB TYR 74 6.935 10.981 4.661 587 HD1 TYR 74 HD2 TYR 74 7.359 9.810 1.099 588 HD2 TYR 74 HD1 TYR 74 6.690 13.081 3.824 589 HE1 TYR 74 HE2 TYR 74 7.340 11.428 -0.815 590 HE2 TYR 74 HE1 TYR 74 6.721 14.682 1.928 591 HH TYR 74 HH TYR 74 6.908 14.946 -0.335 592 H SER 75 H SER 75 9.499 7.307 4.228 593 HA SER 75 HA SER 75 8.602 5.413 2.284 594 HB2 SER 75 2HB SER 75 9.896 3.860 3.746 595 HB3 SER 75 3HB SER 75 10.778 5.326 3.306 596 HG SER 75 HG SER 75 10.722 4.583 5.643 597 H ALA 76 H ALA 76 8.042 3.110 3.409 598 HA ALA 76 HA ALA 76 5.349 2.951 3.573 599 HB1 ALA 76 1HB ALA 76 5.719 0.713 4.574 600 HB2 ALA 76 2HB ALA 76 6.839 1.045 3.239 601 HB3 ALA 76 3HB ALA 76 7.401 1.148 4.928 602 H SER 77 H SER 77 7.271 3.772 6.486 603 HA SER 77 HA SER 77 5.255 3.108 8.403 604 HB2 SER 77 2HB SER 77 7.250 5.372 8.625 605 HB3 SER 77 3HB SER 77 6.513 4.452 9.946 606 HG SER 77 HG SER 77 7.659 2.613 9.206 607 H GLN 78 H GLN 78 5.486 5.708 6.116 608 HA GLN 78 HA GLN 78 3.459 7.326 7.441 609 HB2 GLN 78 2HB GLN 78 5.302 7.756 5.095 610 HB3 GLN 78 3HB GLN 78 3.877 8.753 5.290 611 HG2 GLN 78 2HG GLN 78 5.877 9.818 6.241 612 HG3 GLN 78 3HG GLN 78 4.563 9.636 7.362 613 HE21 GLN 78 2HE2 GLN 78 4.985 8.656 9.318 614 HE22 GLN 78 1HE2 GLN 78 6.527 7.892 9.709 615 H LEU 79 H LEU 79 2.982 4.530 6.020 616 HA LEU 79 HA LEU 79 0.589 5.277 4.419 617 HB2 LEU 79 2HB LEU 79 1.770 2.626 5.334 618 HB3 LEU 79 3HB LEU 79 0.248 2.757 4.481 619 HG LEU 79 HG LEU 79 2.725 3.891 3.169 620 HD11 LEU 79 1HD1 LEU 79 1.983 0.951 2.984 621 HD12 LEU 79 2HD1 LEU 79 3.281 1.796 2.132 622 HD13 LEU 79 3HD1 LEU 79 3.365 1.576 3.887 623 HD21 LEU 79 3HD2 LEU 79 0.366 2.372 2.018 624 HD22 LEU 79 1HD2 LEU 79 0.378 4.121 2.268 625 HD23 LEU 79 2HD2 LEU 79 1.530 3.384 1.154 626 H LYS 80 H LYS 80 -1.470 5.302 5.191 627 HA LYS 80 HA LYS 80 -2.103 5.392 7.970 628 HB2 LYS 80 2HB LYS 80 -4.014 4.625 5.722 629 HB3 LYS 80 3HB LYS 80 -4.452 5.151 7.344 630 HG2 LYS 80 2HG LYS 80 -3.286 7.328 6.881 631 HG3 LYS 80 3HG LYS 80 -3.100 6.805 5.194 632 HD2 LYS 80 2HD LYS 80 -5.736 7.188 6.695 633 HD3 LYS 80 3HD LYS 80 -5.028 8.340 5.556 634 HE2 LYS 80 2HE LYS 80 -5.197 6.666 3.735 635 HE3 LYS 80 3HE LYS 80 -5.908 5.502 4.866 636 HZ1 LYS 80 3HZ LYS 80 -7.134 8.111 4.144 637 HZ2 LYS 80 1HZ LYS 80 -7.615 6.655 3.579 638 HZ3 LYS 80 2HZ LYS 80 -7.783 7.011 5.163 639 H GLY 81 H GLY 81 -2.589 3.849 9.457 640 HA2 GLY 81 2HA GLY 81 -3.124 1.802 10.399 641 HA3 GLY 81 3HA GLY 81 -3.637 1.245 8.806 642 H PHE 82 H PHE 82 -0.368 2.197 8.539 643 HA PHE 82 HA PHE 82 0.702 -0.378 8.116 644 HB2 PHE 82 2HB PHE 82 1.820 1.517 7.252 645 HB3 PHE 82 3HB PHE 82 1.833 2.349 8.796 646 HD1 PHE 82 HD1 PHE 82 3.424 1.801 10.560 647 HD2 PHE 82 HD2 PHE 82 3.642 -0.031 6.666 648 HE1 PHE 82 HE1 PHE 82 5.773 1.116 11.017 649 HE2 PHE 82 HE2 PHE 82 6.003 -0.677 7.111 650 HZ PHE 82 HZ PHE 82 7.063 -0.118 9.280 651 H SER 83 H SER 83 0.774 1.661 11.061 652 HA SER 83 HA SER 83 2.347 0.026 12.677 653 HB2 SER 83 2HB SER 83 0.098 1.903 13.492 654 HB3 SER 83 3HB SER 83 1.410 1.330 14.548 655 HG SER 83 HG SER 83 1.874 3.390 13.640 656 H LEU 84 H LEU 84 -0.983 -0.509 11.813 657 HA LEU 84 HA LEU 84 -1.572 -2.269 14.113 658 HB2 LEU 84 2HB LEU 84 -3.193 -1.164 11.792 659 HB3 LEU 84 3HB LEU 84 -3.785 -2.471 12.796 660 HG LEU 84 HG LEU 84 -3.665 -1.077 14.811 661 HD11 LEU 84 1HD1 LEU 84 -1.953 0.569 14.322 662 HD12 LEU 84 2HD1 LEU 84 -2.861 1.165 12.907 663 HD13 LEU 84 3HD1 LEU 84 -3.479 1.413 14.555 664 HD21 LEU 84 3HD2 LEU 84 -5.728 -1.226 13.458 665 HD22 LEU 84 1HD2 LEU 84 -5.579 0.355 14.238 666 HD23 LEU 84 2HD2 LEU 84 -5.211 0.184 12.507 667 H LEU 85 H LEU 85 -0.054 -2.682 11.103 668 HA LEU 85 HA LEU 85 -0.928 -5.437 10.574 669 HB2 LEU 85 2HB LEU 85 1.468 -3.826 9.643 670 HB3 LEU 85 3HB LEU 85 1.064 -5.423 9.045 671 HG LEU 85 HG LEU 85 -0.799 -3.025 8.743 672 HD11 LEU 85 1HD1 LEU 85 0.028 -2.898 6.432 673 HD12 LEU 85 2HD1 LEU 85 1.365 -2.651 7.567 674 HD13 LEU 85 3HD1 LEU 85 1.179 -4.217 6.748 675 HD21 LEU 85 3HD2 LEU 85 -0.725 -5.743 7.408 676 HD22 LEU 85 1HD2 LEU 85 -1.971 -5.131 8.522 677 HD23 LEU 85 2HD2 LEU 85 -1.765 -4.398 6.926 678 H ALA 86 H ALA 86 0.825 -7.204 10.570 679 HA ALA 86 HA ALA 86 1.952 -7.575 13.209 680 HB1 ALA 86 1HB ALA 86 2.480 -9.066 10.603 681 HB2 ALA 86 2HB ALA 86 2.876 -9.632 12.241 682 HB3 ALA 86 3HB ALA 86 1.180 -9.439 11.758 683 H THR 87 H THR 87 4.143 -7.553 13.852 684 HA THR 87 HA THR 87 5.812 -5.501 12.966 685 HB THR 87 HB THR 87 6.753 -8.079 14.255 686 HG1 THR 87 1HG THR 87 6.209 -7.067 16.200 687 HG21 THR 87 1HG2 THR 87 8.596 -6.528 13.680 688 HG22 THR 87 2HG2 THR 87 7.742 -5.192 14.483 689 HG23 THR 87 3HG2 THR 87 8.356 -6.568 15.431 690 H GLU 88 H GLU 88 5.849 -8.925 11.905 691 HA GLU 88 HA GLU 88 8.205 -8.696 10.280 692 HB2 GLU 88 2HB GLU 88 7.560 -10.825 9.345 693 HB3 GLU 88 3HB GLU 88 7.374 -10.828 11.097 694 HG2 GLU 88 2HG GLU 88 4.898 -10.457 10.792 695 HG3 GLU 88 3HG GLU 88 5.128 -10.583 9.046 696 H ASP 89 H ASP 89 4.820 -7.866 9.588 697 HA ASP 89 HA ASP 89 5.368 -7.455 6.714 698 HB2 ASP 89 2HB ASP 89 2.936 -6.940 8.449 699 HB3 ASP 89 3HB ASP 89 3.039 -6.476 6.754 700 H LYS 90 H LYS 90 5.068 -5.477 9.658 701 HA LYS 90 HA LYS 90 5.412 -2.896 8.414 702 HB2 LYS 90 2HB LYS 90 6.000 -3.972 11.202 703 HB3 LYS 90 3HB LYS 90 6.230 -2.272 10.770 704 HG2 LYS 90 2HG LYS 90 3.948 -1.906 10.353 705 HG3 LYS 90 3HG LYS 90 3.593 -3.621 10.177 706 HD2 LYS 90 2HD LYS 90 2.621 -2.848 12.204 707 HD3 LYS 90 3HD LYS 90 3.906 -4.001 12.573 708 HE2 LYS 90 2HE LYS 90 5.416 -2.133 13.173 709 HE3 LYS 90 3HE LYS 90 4.160 -0.970 12.721 710 HZ1 LYS 90 3HZ LYS 90 4.139 -1.369 15.121 711 HZ2 LYS 90 1HZ LYS 90 2.741 -1.944 14.483 712 HZ3 LYS 90 2HZ LYS 90 3.935 -2.974 14.912 713 H GLU 91 H GLU 91 7.783 -5.275 9.597 714 HA GLU 91 HA GLU 91 10.131 -3.806 8.734 715 HB2 GLU 91 2HB GLU 91 9.553 -6.737 9.286 716 HB3 GLU 91 3HB GLU 91 11.125 -6.194 8.708 717 HG2 GLU 91 2HG GLU 91 9.811 -5.076 11.220 718 HG3 GLU 91 3HG GLU 91 10.896 -6.467 11.218 719 H ALA 92 H ALA 92 8.223 -6.419 7.099 720 HA ALA 92 HA ALA 92 9.785 -6.502 4.774 721 HB1 ALA 92 1HB ALA 92 6.807 -7.032 5.049 722 HB2 ALA 92 2HB ALA 92 7.856 -7.592 3.733 723 HB3 ALA 92 3HB ALA 92 8.119 -8.194 5.380 724 H LEU 93 H LEU 93 6.964 -4.329 5.390 725 HA LEU 93 HA LEU 93 6.930 -3.234 2.736 726 HB2 LEU 93 2HB LEU 93 5.903 -2.208 5.397 727 HB3 LEU 93 3HB LEU 93 5.636 -1.371 3.866 728 HG LEU 93 HG LEU 93 4.679 -4.213 4.373 729 HD11 LEU 93 1HD1 LEU 93 2.459 -3.170 4.666 730 HD12 LEU 93 2HD1 LEU 93 3.595 -2.617 5.903 731 HD13 LEU 93 3HD1 LEU 93 3.189 -1.556 4.531 732 HD21 LEU 93 3HD2 LEU 93 4.017 -2.178 2.202 733 HD22 LEU 93 1HD2 LEU 93 4.935 -3.686 1.984 734 HD23 LEU 93 2HD2 LEU 93 3.228 -3.754 2.422 735 H LYS 94 H LYS 94 8.726 -2.173 5.680 736 HA LYS 94 HA LYS 94 9.974 0.096 4.386 737 HB2 LYS 94 2HB LYS 94 10.818 -1.625 6.744 738 HB3 LYS 94 3HB LYS 94 11.653 -0.154 6.236 739 HG2 LYS 94 2HG LYS 94 9.616 1.189 6.645 740 HG3 LYS 94 3HG LYS 94 8.752 -0.252 7.183 741 HD2 LYS 94 2HD LYS 94 11.222 0.965 8.487 742 HD3 LYS 94 3HD LYS 94 9.565 1.062 9.102 743 HE2 LYS 94 2HE LYS 94 9.502 -1.405 9.373 744 HE3 LYS 94 3HE LYS 94 11.136 -1.525 8.713 745 HZ1 LYS 94 3HZ LYS 94 11.328 -1.624 11.014 746 HZ2 LYS 94 1HZ LYS 94 11.885 -0.125 10.603 747 HZ3 LYS 94 2HZ LYS 94 10.401 -0.283 11.288 748 H LYS 95 H LYS 95 10.883 -3.383 4.738 749 HA LYS 95 HA LYS 95 13.374 -3.096 3.343 750 HB2 LYS 95 2HB LYS 95 11.572 -5.497 3.795 751 HB3 LYS 95 3HB LYS 95 13.135 -5.610 2.981 752 HG2 LYS 95 2HG LYS 95 14.327 -4.813 4.922 753 HG3 LYS 95 3HG LYS 95 12.832 -4.422 5.774 754 HD2 LYS 95 2HD LYS 95 12.202 -6.834 5.780 755 HD3 LYS 95 3HD LYS 95 13.741 -7.216 4.973 756 HE2 LYS 95 2HE LYS 95 14.969 -6.184 6.894 757 HE3 LYS 95 3HE LYS 95 13.425 -5.863 7.697 758 HZ1 LYS 95 3HZ LYS 95 14.424 -7.923 8.504 759 HZ2 LYS 95 1HZ LYS 95 13.031 -8.281 7.733 760 HZ3 LYS 95 2HZ LYS 95 14.467 -8.563 7.004 761 H GLN 96 H GLN 96 10.129 -3.334 2.113 762 HA GLN 96 HA GLN 96 10.799 -3.789 -0.663 763 HB2 GLN 96 2HB GLN 96 8.379 -3.314 0.986 764 HB3 GLN 96 3HB GLN 96 8.313 -2.510 -0.551 765 HG2 GLN 96 2HG GLN 96 7.311 -4.596 -0.912 766 HG3 GLN 96 3HG GLN 96 8.899 -4.750 -1.650 767 HE21 GLN 96 2HE2 GLN 96 10.579 -6.045 -0.377 768 HE22 GLN 96 1HE2 GLN 96 9.968 -7.252 0.741 769 H LEU 97 H LEU 97 10.013 -0.768 1.170 770 HA LEU 97 HA LEU 97 11.824 0.650 -0.644 771 HB2 LEU 97 2HB LEU 97 10.454 2.339 -1.389 772 HB3 LEU 97 3HB LEU 97 9.683 0.819 -1.771 773 HG LEU 97 HG LEU 97 8.790 2.930 0.222 774 HD11 LEU 97 1HD1 LEU 97 6.776 2.895 -1.187 775 HD12 LEU 97 2HD1 LEU 97 8.230 3.275 -2.113 776 HD13 LEU 97 3HD1 LEU 97 7.500 1.649 -2.215 777 HD21 LEU 97 3HD2 LEU 97 7.622 0.144 -0.136 778 HD22 LEU 97 1HD2 LEU 97 8.348 0.814 1.343 779 HD23 LEU 97 2HD2 LEU 97 6.845 1.495 0.731 780 HA PRO 98 HA PRO 98 12.285 1.773 3.700 781 HB2 PRO 98 2HB PRO 98 15.109 1.728 3.758 782 HB3 PRO 98 3HB PRO 98 13.996 0.409 4.188 783 HG2 PRO 98 2HG PRO 98 15.708 0.625 1.820 784 HG3 PRO 98 3HG PRO 98 14.743 -0.766 2.398 785 HD2 PRO 98 2HD PRO 98 14.140 1.098 0.243 786 HD3 PRO 98 3HD PRO 98 13.271 -0.381 0.737 787 H GLY 99 H GLY 99 12.788 3.749 4.767 788 HA2 GLY 99 2HA GLY 99 13.157 6.064 3.023 789 HA3 GLY 99 3HA GLY 99 12.665 6.046 4.710 790 H VAL 100 H VAL 100 13.996 7.841 4.964 791 HA VAL 100 HA VAL 100 16.897 7.736 4.888 792 HB VAL 100 HB VAL 100 15.084 9.472 6.608 793 HG11 VAL 100 1HG1 VAL 100 17.056 10.990 6.713 794 HG12 VAL 100 2HG1 VAL 100 17.375 9.450 7.502 795 HG13 VAL 100 3HG1 VAL 100 18.037 9.766 5.879 796 HG21 VAL 100 3HG2 VAL 100 14.664 9.864 4.215 797 HG22 VAL 100 1HG2 VAL 100 15.544 11.225 4.901 798 HG23 VAL 100 2HG2 VAL 100 16.405 10.027 3.910 799 H LYS 101 H LYS 101 18.189 6.610 6.152 800 HA LYS 101 HA LYS 101 17.063 5.150 8.484 801 HB2 LYS 101 2HB LYS 101 19.470 4.722 6.715 802 HB3 LYS 101 3HB LYS 101 19.220 3.799 8.205 803 HG2 LYS 101 2HG LYS 101 17.145 2.898 7.489 804 HG3 LYS 101 3HG LYS 101 16.975 4.022 6.164 805 HD2 LYS 101 2HD LYS 101 19.147 1.895 6.308 806 HD3 LYS 101 3HD LYS 101 17.608 1.670 5.482 807 HE2 LYS 101 2HE LYS 101 19.610 3.872 4.794 808 HE3 LYS 101 3HE LYS 101 19.557 2.305 3.994 809 HZ1 LYS 101 3HZ LYS 101 17.338 2.793 3.207 810 HZ2 LYS 101 1HZ LYS 101 17.265 4.219 4.007 811 HZ3 LYS 101 2HZ LYS 101 18.316 4.018 2.771 812 H SER 102 H SER 102 19.232 7.804 8.015 813 HA SER 102 HA SER 102 20.251 7.951 10.701 814 HB2 SER 102 2HB SER 102 19.424 10.225 8.855 815 HB3 SER 102 3HB SER 102 20.509 10.329 10.255 816 HG SER 102 HG SER 102 21.672 10.164 8.284 817 H GLU 103 H GLU 103 17.019 8.305 9.435 818 HA GLU 103 HA GLU 103 15.903 9.683 11.768 819 HB2 GLU 103 2HB GLU 103 15.113 9.708 9.279 820 HB3 GLU 103 3HB GLU 103 14.387 8.141 9.646 821 HG2 GLU 103 2HG GLU 103 13.031 9.204 11.446 822 HG3 GLU 103 3HG GLU 103 13.813 10.752 11.116 823 H GLY 104 H GLY 104 16.961 6.493 11.200 824 HA2 GLY 104 2HA GLY 104 16.852 4.633 12.529 825 HA3 GLY 104 3HA GLY 104 15.724 5.448 13.613 826 H LYS 105 H LYS 105 14.921 5.171 10.170 827 HA LYS 105 HA LYS 105 12.534 3.604 10.617 828 HB2 LYS 105 2HB LYS 105 14.163 4.115 8.074 829 HB3 LYS 105 3HB LYS 105 12.644 3.235 8.102 830 HG2 LYS 105 2HG LYS 105 13.035 6.180 8.715 831 HG3 LYS 105 3HG LYS 105 12.225 5.439 7.335 832 HD2 LYS 105 2HD LYS 105 10.782 4.359 9.425 833 HD3 LYS 105 3HD LYS 105 11.250 5.909 10.117 834 HE2 LYS 105 2HE LYS 105 9.568 5.323 7.653 835 HE3 LYS 105 3HE LYS 105 9.085 6.104 9.152 836 HZ1 LYS 105 3HZ LYS 105 9.305 7.774 7.556 837 HZ2 LYS 105 1HZ LYS 105 10.641 7.967 8.500 838 HZ3 LYS 105 2HZ LYS 105 10.770 7.257 7.025 839 H ARG 106 H ARG 106 15.805 2.694 9.630 840 HA ARG 106 HA ARG 106 15.530 0.208 11.028 841 HB2 ARG 106 2HB ARG 106 14.939 0.083 8.240 842 HB3 ARG 106 3HB ARG 106 16.578 -0.521 8.352 843 HG2 ARG 106 2HG ARG 106 14.188 -1.566 9.942 844 HG3 ARG 106 3HG ARG 106 14.837 -2.289 8.466 845 HD2 ARG 106 2HD ARG 106 17.005 -2.693 9.612 846 HD3 ARG 106 3HD ARG 106 16.321 -2.020 11.112 847 HE ARG 106 HE ARG 106 14.541 -4.030 10.364 848 HH11 ARG 106 1HH2 ARG 106 17.940 -3.969 11.363 849 HH12 ARG 106 2HH2 ARG 106 17.814 -5.590 11.999 850 HH21 ARG 106 1HH1 ARG 106 14.469 -5.903 11.165 851 HH22 ARG 106 2HH1 ARG 106 15.857 -6.704 11.917 852 H LYS 107 H LYS 107 17.536 -0.795 11.469 853 HA LYS 107 HA LYS 107 20.033 0.287 10.330 854 HB2 LYS 107 2HB LYS 107 21.107 0.502 12.518 855 HB3 LYS 107 3HB LYS 107 19.760 1.622 12.341 856 HG2 LYS 107 2HG LYS 107 18.351 0.307 13.810 857 HG3 LYS 107 3HG LYS 107 19.483 -1.050 13.790 858 HD2 LYS 107 2HD LYS 107 19.675 0.126 15.896 859 HD3 LYS 107 3HD LYS 107 21.171 0.282 14.969 860 HE2 LYS 107 2HE LYS 107 20.386 2.563 14.204 861 HE3 LYS 107 3HE LYS 107 18.984 2.395 15.276 862 HZ1 LYS 107 3HZ LYS 107 20.562 2.203 17.143 863 HZ2 LYS 107 1HZ LYS 107 21.838 2.341 16.118 864 HZ3 LYS 107 2HZ LYS 107 20.820 3.607 16.342 865 H GLY 108 H GLY 108 21.898 -1.070 10.817 866 HA2 GLY 108 2HA GLY 108 21.762 -3.681 11.965 867 HA3 GLY 108 3HA GLY 108 21.481 -3.816 10.225 868 H ASP 109 H ASP 109 23.668 -1.413 11.698 869 HA ASP 109 HA ASP 109 26.052 -2.799 10.604 870 HB2 ASP 109 2HB ASP 109 24.938 -1.431 8.807 871 HB3 ASP 109 3HB ASP 109 25.218 0.008 9.783 872 H GLU 110 H GLU 110 25.381 -2.421 13.309 873 HA GLU 110 HA GLU 110 27.600 -0.656 14.249 874 HB2 GLU 110 2HB GLU 110 24.833 -0.868 15.507 875 HB3 GLU 110 3HB GLU 110 26.235 -0.083 16.241 876 HG2 GLU 110 2HG GLU 110 26.354 1.441 14.218 877 HG3 GLU 110 3HG GLU 110 24.796 0.780 13.706 878 H VAL 111 H VAL 111 28.326 -1.176 16.446 879 HA VAL 111 HA VAL 111 29.416 -2.569 17.824 880 HB VAL 111 HB VAL 111 26.991 -4.381 17.875 881 HG11 VAL 111 1HG1 VAL 111 29.019 -3.541 20.008 882 HG12 VAL 111 2HG1 VAL 111 27.651 -4.651 20.240 883 HG13 VAL 111 3HG1 VAL 111 28.991 -5.116 19.192 884 HG21 VAL 111 3HG2 VAL 111 27.401 -1.721 19.314 885 HG22 VAL 111 1HG2 VAL 111 26.125 -2.105 18.135 886 HG23 VAL 111 2HG2 VAL 111 26.139 -2.913 19.699 887 H ASP 112 H ASP 112 30.574 -2.815 15.670 888 HA ASP 112 HA ASP 112 31.325 -5.668 15.339 889 HB2 ASP 112 2HB ASP 112 29.771 -5.169 13.500 890 HB3 ASP 112 3HB ASP 112 30.728 -3.765 13.043 Start of MODEL 23 1 H1 GLY 1 H1 GLY 1 14.539 11.197 20.450 2 H2 GLY 1 H2 GLY 1 14.971 9.884 19.560 3 H3 GLY 1 H3 GLY 1 15.068 9.831 21.198 4 HA2 GLY 1 2HA GLY 1 13.152 8.595 20.414 5 HA3 GLY 1 3HA GLY 1 12.682 9.987 21.412 6 H SER 2 H SER 2 11.450 8.439 18.967 7 HA SER 2 HA SER 2 11.118 10.214 16.797 8 HB2 SER 2 2HB SER 2 8.991 8.370 17.949 9 HB3 SER 2 3HB SER 2 9.105 8.959 16.283 10 HG SER 2 HG SER 2 10.903 7.691 15.966 11 H LYS 3 H LYS 3 9.830 11.976 16.405 12 HA LYS 3 HA LYS 3 8.502 13.333 18.652 13 HB2 LYS 3 2HB LYS 3 8.941 14.189 15.765 14 HB3 LYS 3 3HB LYS 3 8.253 15.199 17.045 15 HG2 LYS 3 2HG LYS 3 10.350 14.973 18.363 16 HG3 LYS 3 3HG LYS 3 11.070 14.031 17.042 17 HD2 LYS 3 2HD LYS 3 10.770 15.953 15.501 18 HD3 LYS 3 3HD LYS 3 10.058 16.900 16.825 19 HE2 LYS 3 2HE LYS 3 12.163 16.659 18.125 20 HE3 LYS 3 3HE LYS 3 12.873 15.719 16.806 21 HZ1 LYS 3 3HZ LYS 3 12.644 17.682 15.375 22 HZ2 LYS 3 1HZ LYS 3 11.988 18.551 16.596 23 HZ3 LYS 3 2HZ LYS 3 13.538 18.052 16.688 24 H ALA 4 H ALA 4 7.193 11.132 18.393 25 HA ALA 4 HA ALA 4 5.412 9.896 17.926 26 HB1 ALA 4 1HB ALA 4 3.923 12.451 17.256 27 HB2 ALA 4 2HB ALA 4 3.217 10.864 17.608 28 HB3 ALA 4 3HB ALA 4 4.105 11.735 18.874 29 H GLU 5 H GLU 5 4.747 8.564 16.337 30 HA GLU 5 HA GLU 5 5.705 9.142 13.596 31 HB2 GLU 5 2HB GLU 5 4.749 6.592 14.936 32 HB3 GLU 5 3HB GLU 5 5.200 6.718 13.227 33 HG2 GLU 5 2HG GLU 5 7.468 7.461 13.837 34 HG3 GLU 5 3HG GLU 5 7.051 7.425 15.549 35 H LYS 6 H LYS 6 4.454 9.082 11.750 36 HA LYS 6 HA LYS 6 1.513 9.535 12.050 37 HB2 LYS 6 2HB LYS 6 3.448 11.533 10.794 38 HB3 LYS 6 3HB LYS 6 1.708 11.735 11.016 39 HG2 LYS 6 2HG LYS 6 2.053 11.720 13.502 40 HG3 LYS 6 3HG LYS 6 3.799 11.605 13.214 41 HD2 LYS 6 2HD LYS 6 3.633 13.771 11.874 42 HD3 LYS 6 3HD LYS 6 1.963 13.896 12.445 43 HE2 LYS 6 2HE LYS 6 3.280 15.225 13.931 44 HE3 LYS 6 3HE LYS 6 2.834 13.764 14.819 45 HZ1 LYS 6 3HZ LYS 6 5.074 12.873 14.284 46 HZ2 LYS 6 1HZ LYS 6 5.468 14.277 13.526 47 HZ3 LYS 6 2HZ LYS 6 5.184 14.232 15.140 48 H THR 7 H THR 7 0.532 10.096 9.887 49 HA THR 7 HA THR 7 1.744 8.567 7.608 50 HB THR 7 HB THR 7 -1.045 9.715 7.815 51 HG1 THR 7 1HG THR 7 -0.686 8.070 9.344 52 HG21 THR 7 1HG2 THR 7 -0.378 7.395 6.028 53 HG22 THR 7 2HG2 THR 7 -1.614 8.666 5.861 54 HG23 THR 7 3HG2 THR 7 0.048 8.980 5.458 55 H LEU 8 H LEU 8 2.135 9.670 5.614 56 HA LEU 8 HA LEU 8 2.427 12.576 5.768 57 HB2 LEU 8 2HB LEU 8 3.552 12.527 3.835 58 HB3 LEU 8 3HB LEU 8 3.852 10.891 4.388 59 HG LEU 8 HG LEU 8 1.838 11.771 2.252 60 HD11 LEU 8 1HD1 LEU 8 4.202 11.886 1.561 61 HD12 LEU 8 2HD1 LEU 8 4.419 10.184 2.026 62 HD13 LEU 8 3HD1 LEU 8 3.317 10.618 0.701 63 HD21 LEU 8 3HD2 LEU 8 2.552 8.979 3.217 64 HD22 LEU 8 1HD2 LEU 8 0.981 9.754 3.413 65 HD23 LEU 8 2HD2 LEU 8 1.552 9.364 1.794 66 H GLY 9 H GLY 9 -0.303 10.678 5.134 67 HA2 GLY 9 2HA GLY 9 -2.470 11.523 5.056 68 HA3 GLY 9 3HA GLY 9 -1.884 13.055 4.428 69 H ASP 10 H ASP 10 -0.796 10.196 2.639 70 HA ASP 10 HA ASP 10 -2.894 10.690 0.593 71 HB2 ASP 10 2HB ASP 10 -0.109 11.513 0.461 72 HB3 ASP 10 3HB ASP 10 -0.420 10.280 -0.757 73 H PHE 11 H PHE 11 -1.082 8.247 2.238 74 HA PHE 11 HA PHE 11 -2.458 6.280 0.580 75 HB2 PHE 11 2HB PHE 11 -0.237 4.941 0.375 76 HB3 PHE 11 3HB PHE 11 -0.709 6.140 -0.778 77 HD1 PHE 11 HD1 PHE 11 1.405 6.054 2.390 78 HD2 PHE 11 HD2 PHE 11 0.899 7.509 -1.642 79 HE1 PHE 11 HE1 PHE 11 3.728 6.897 2.397 80 HE2 PHE 11 HE2 PHE 11 3.193 8.439 -1.586 81 HZ PHE 11 HZ PHE 11 4.626 8.100 0.422 82 H ALA 12 H ALA 12 -2.493 4.149 1.369 83 HA ALA 12 HA ALA 12 -2.364 3.950 4.346 84 HB1 ALA 12 1HB ALA 12 -4.749 3.266 2.587 85 HB2 ALA 12 2HB ALA 12 -4.670 3.163 4.352 86 HB3 ALA 12 3HB ALA 12 -4.600 4.746 3.543 87 H ALA 13 H ALA 13 -2.506 1.815 5.224 88 HA ALA 13 HA ALA 13 -2.019 -0.492 3.376 89 HB1 ALA 13 1HB ALA 13 -0.468 0.220 5.904 90 HB2 ALA 13 2HB ALA 13 -0.192 -1.179 4.825 91 HB3 ALA 13 3HB ALA 13 0.089 0.475 4.238 92 H GLU 14 H GLU 14 -3.010 -2.387 3.964 93 HA GLU 14 HA GLU 14 -4.240 -2.836 6.580 94 HB2 GLU 14 2HB GLU 14 -5.753 -1.283 5.061 95 HB3 GLU 14 3HB GLU 14 -6.033 -2.749 4.122 96 HG2 GLU 14 2HG GLU 14 -6.966 -3.840 6.172 97 HG3 GLU 14 3HG GLU 14 -6.560 -2.406 7.113 98 H TYR 15 H TYR 15 -5.602 -5.037 6.272 99 HA TYR 15 HA TYR 15 -4.170 -6.861 4.390 100 HB2 TYR 15 2HB TYR 15 -5.913 -7.504 6.770 101 HB3 TYR 15 3HB TYR 15 -5.262 -8.683 5.637 102 HD1 TYR 15 HD2 TYR 15 -4.354 -6.181 8.231 103 HD2 TYR 15 HD1 TYR 15 -2.905 -9.327 5.662 104 HE1 TYR 15 HE2 TYR 15 -2.257 -6.310 9.555 105 HE2 TYR 15 HE1 TYR 15 -0.748 -9.361 6.926 106 HH TYR 15 HH TYR 15 0.473 -8.411 8.568 107 H ALA 16 H ALA 16 -5.234 -8.012 2.845 108 HA ALA 16 HA ALA 16 -7.564 -6.836 1.673 109 HB1 ALA 16 1HB ALA 16 -5.756 -7.853 0.404 110 HB2 ALA 16 2HB ALA 16 -6.112 -9.420 1.152 111 HB3 ALA 16 3HB ALA 16 -7.299 -8.673 0.054 112 H LYS 17 H LYS 17 -9.454 -6.935 2.759 113 HA LYS 17 HA LYS 17 -10.306 -9.136 4.413 114 HB2 LYS 17 2HB LYS 17 -11.873 -6.786 3.256 115 HB3 LYS 17 3HB LYS 17 -12.458 -7.898 4.502 116 HG2 LYS 17 2HG LYS 17 -10.566 -7.211 5.991 117 HG3 LYS 17 3HG LYS 17 -10.028 -6.069 4.756 118 HD2 LYS 17 2HD LYS 17 -11.240 -4.845 6.408 119 HD3 LYS 17 3HD LYS 17 -12.206 -4.865 4.926 120 HE2 LYS 17 2HE LYS 17 -13.611 -6.690 5.865 121 HE3 LYS 17 3HE LYS 17 -12.608 -6.724 7.320 122 HZ1 LYS 17 3HZ LYS 17 -13.317 -4.436 7.780 123 HZ2 LYS 17 1HZ LYS 17 -14.242 -4.403 6.432 124 HZ3 LYS 17 2HZ LYS 17 -14.621 -5.410 7.660 125 H SER 18 H SER 18 -10.674 -8.559 1.007 126 HA SER 18 HA SER 18 -11.835 -11.227 0.669 127 HB2 SER 18 2HB SER 18 -13.835 -9.718 0.869 128 HB3 SER 18 3HB SER 18 -13.263 -8.838 -0.570 129 HG SER 18 HG SER 18 -14.805 -10.658 -0.878 130 H ASN 19 H ASN 19 -11.590 -12.041 -1.438 131 HA ASN 19 HA ASN 19 -9.339 -10.998 -2.942 132 HB2 ASN 19 2HB ASN 19 -9.862 -13.435 -2.448 133 HB3 ASN 19 3HB ASN 19 -11.198 -13.321 -3.593 134 HD21 ASN 19 2HD2 ASN 19 -7.886 -11.875 -4.004 135 HD22 ASN 19 1HD2 ASN 19 -7.342 -13.134 -5.101 136 H ARG 20 H ARG 20 -12.455 -9.983 -2.899 137 HA ARG 20 HA ARG 20 -12.773 -9.200 -5.710 138 HB2 ARG 20 2HB ARG 20 -14.097 -8.081 -3.198 139 HB3 ARG 20 3HB ARG 20 -14.610 -7.810 -4.859 140 HG2 ARG 20 2HG ARG 20 -14.738 -10.434 -3.326 141 HG3 ARG 20 3HG ARG 20 -16.083 -9.405 -3.823 142 HD2 ARG 20 2HD ARG 20 -15.475 -9.847 -6.212 143 HD3 ARG 20 3HD ARG 20 -14.205 -10.957 -5.642 144 HE ARG 20 HE ARG 20 -16.653 -11.739 -4.441 145 HH11 ARG 20 1HH2 ARG 20 -15.259 -11.750 -7.656 146 HH12 ARG 20 2HH2 ARG 20 -16.208 -13.121 -8.161 147 HH21 ARG 20 1HH1 ARG 20 -17.835 -13.481 -5.153 148 HH22 ARG 20 2HH1 ARG 20 -17.628 -14.070 -6.775 149 H SER 21 H SER 21 -10.710 -8.094 -3.233 150 HA SER 21 HA SER 21 -10.353 -5.341 -4.126 151 HB2 SER 21 2HB SER 21 -8.362 -7.228 -2.800 152 HB3 SER 21 3HB SER 21 -8.207 -5.464 -2.964 153 HG SER 21 HG SER 21 -10.049 -6.965 -1.415 154 H THR 22 H THR 22 -8.832 -4.540 -5.718 155 HA THR 22 HA THR 22 -7.358 -6.536 -7.356 156 HB THR 22 HB THR 22 -9.196 -4.482 -8.573 157 HG1 THR 22 1HG THR 22 -10.497 -6.223 -9.156 158 HG21 THR 22 1HG2 THR 22 -7.280 -5.107 -10.037 159 HG22 THR 22 2HG2 THR 22 -7.746 -6.817 -9.879 160 HG23 THR 22 3HG2 THR 22 -8.822 -5.666 -10.690 161 H CYS 23 HN CYS 23 -5.500 -5.828 -8.099 162 HA CYS 23 HA CYS 23 -4.441 -3.372 -7.027 163 HB2 CYS 23 2HB CYS 23 -3.190 -5.376 -6.862 164 HB3 CYS 23 3HB CYS 23 -3.448 -5.747 -8.565 165 H LYS 24 H LYS 24 -4.758 -1.488 -8.067 166 HA LYS 24 HA LYS 24 -5.081 -1.204 -10.962 167 HB2 LYS 24 2HB LYS 24 -4.710 0.697 -8.639 168 HB3 LYS 24 3HB LYS 24 -4.625 1.272 -10.302 169 HG2 LYS 24 2HG LYS 24 -6.859 1.580 -9.497 170 HG3 LYS 24 3HG LYS 24 -6.852 0.406 -10.802 171 HD2 LYS 24 2HD LYS 24 -7.213 -1.424 -9.244 172 HD3 LYS 24 3HD LYS 24 -6.978 -0.345 -7.847 173 HE2 LYS 24 2HE LYS 24 -8.985 0.936 -8.484 174 HE3 LYS 24 3HE LYS 24 -9.182 -0.045 -9.941 175 HZ1 LYS 24 3HZ LYS 24 -9.329 -1.117 -7.169 176 HZ2 LYS 24 1HZ LYS 24 -10.624 -0.798 -8.117 177 HZ3 LYS 24 2HZ LYS 24 -9.576 -1.976 -8.537 178 H GLY 25 H GLY 25 -2.318 -1.783 -9.082 179 HA2 GLY 25 2HA GLY 25 -0.354 -0.385 -10.706 180 HA3 GLY 25 3HA GLY 25 -0.052 -1.682 -9.546 181 H CYS 26 HN CYS 26 -1.750 -3.649 -10.824 182 HA CYS 26 HA CYS 26 -0.477 -4.017 -13.483 183 HB2 CYS 26 2HB CYS 26 0.251 -6.232 -13.043 184 HB3 CYS 26 3HB CYS 26 0.927 -5.167 -11.809 185 H MET 27 H MET 27 -3.395 -4.036 -11.923 186 HA MET 27 HA MET 27 -5.457 -4.707 -12.361 187 HB2 MET 27 2HB MET 27 -4.524 -5.003 -15.222 188 HB3 MET 27 3HB MET 27 -6.207 -5.038 -14.710 189 HG2 MET 27 2HG MET 27 -4.510 -2.651 -13.967 190 HG3 MET 27 3HG MET 27 -5.063 -2.844 -15.616 191 HE1 MET 27 3HE MET 27 -7.920 -2.146 -12.020 192 HE2 MET 27 1HE MET 27 -7.470 -3.818 -12.408 193 HE3 MET 27 2HE MET 27 -6.220 -2.662 -11.899 194 H GLU 28 H GLU 28 -4.273 -6.452 -10.959 195 HA GLU 28 HA GLU 28 -5.641 -8.946 -11.790 196 HB2 GLU 28 2HB GLU 28 -2.816 -8.912 -10.647 197 HB3 GLU 28 3HB GLU 28 -3.873 -10.319 -10.719 198 HG2 GLU 28 2HG GLU 28 -4.024 -9.986 -13.233 199 HG3 GLU 28 3HG GLU 28 -2.753 -8.768 -13.079 200 H LYS 29 H LYS 29 -6.325 -10.241 -9.987 201 HA LYS 29 HA LYS 29 -7.452 -8.561 -7.950 202 HB2 LYS 29 2HB LYS 29 -8.540 -10.542 -7.133 203 HB3 LYS 29 3HB LYS 29 -8.653 -10.464 -8.891 204 HG2 LYS 29 2HG LYS 29 -6.713 -12.104 -9.013 205 HG3 LYS 29 3HG LYS 29 -6.804 -12.243 -7.244 206 HD2 LYS 29 2HD LYS 29 -9.256 -12.886 -7.538 207 HD3 LYS 29 3HD LYS 29 -8.949 -13.013 -9.269 208 HE2 LYS 29 2HE LYS 29 -7.503 -14.569 -7.070 209 HE3 LYS 29 3HE LYS 29 -8.834 -15.194 -8.043 210 HZ1 LYS 29 3HZ LYS 29 -6.719 -15.914 -8.943 211 HZ2 LYS 29 1HZ LYS 29 -7.424 -14.918 -10.024 212 HZ3 LYS 29 2HZ LYS 29 -6.178 -14.386 -9.101 213 H ILE 30 H ILE 30 -6.975 -8.263 -5.881 214 HA ILE 30 HA ILE 30 -4.342 -9.114 -4.888 215 HB ILE 30 HB ILE 30 -6.461 -7.226 -3.865 216 HG12 ILE 30 2HG1 ILE 30 -3.583 -6.644 -4.664 217 HG13 ILE 30 3HG1 ILE 30 -4.892 -6.635 -5.837 218 HG21 ILE 30 1HG2 ILE 30 -3.790 -7.890 -2.563 219 HG22 ILE 30 2HG2 ILE 30 -4.899 -6.597 -2.078 220 HG23 ILE 30 3HG2 ILE 30 -5.401 -8.269 -1.894 221 HD11 ILE 30 3HD1 ILE 30 -6.053 -4.860 -4.582 222 HD12 ILE 30 1HD1 ILE 30 -4.704 -4.806 -3.413 223 HD13 ILE 30 2HD1 ILE 30 -4.430 -4.389 -5.108 224 H GLU 31 H GLU 31 -3.949 -10.686 -3.451 225 HA GLU 31 HA GLU 31 -6.008 -12.644 -2.999 226 HB2 GLU 31 2HB GLU 31 -3.131 -12.525 -2.066 227 HB3 GLU 31 3HB GLU 31 -4.193 -13.926 -1.893 228 HG2 GLU 31 2HG GLU 31 -3.343 -12.661 -4.535 229 HG3 GLU 31 3HG GLU 31 -2.638 -14.091 -3.800 230 H LYS 32 H LYS 32 -7.083 -13.243 -1.272 231 HA LYS 32 HA LYS 32 -7.572 -11.381 0.848 232 HB2 LYS 32 2HB LYS 32 -9.162 -13.007 -0.232 233 HB3 LYS 32 3HB LYS 32 -8.428 -14.309 0.690 234 HG2 LYS 32 2HG LYS 32 -9.603 -11.846 2.043 235 HG3 LYS 32 3HG LYS 32 -10.634 -13.151 1.468 236 HD2 LYS 32 2HD LYS 32 -9.481 -14.777 2.907 237 HD3 LYS 32 3HD LYS 32 -8.441 -13.492 3.552 238 HE2 LYS 32 2HE LYS 32 -10.432 -12.258 4.352 239 HE3 LYS 32 3HE LYS 32 -11.485 -13.513 3.692 240 HZ1 LYS 32 3HZ LYS 32 -11.098 -13.851 6.063 241 HZ2 LYS 32 1HZ LYS 32 -10.458 -15.100 5.235 242 HZ3 LYS 32 2HZ LYS 32 -9.484 -13.940 5.852 243 H GLY 33 H GLY 33 -6.909 -11.259 2.923 244 HA2 GLY 33 2HA GLY 33 -5.957 -11.848 4.950 245 HA3 GLY 33 3HA GLY 33 -5.534 -13.432 4.307 246 H GLN 34 H GLN 34 -4.175 -11.378 2.128 247 HA GLN 34 HA GLN 34 -1.724 -10.682 3.725 248 HB2 GLN 34 2HB GLN 34 -0.356 -10.963 1.781 249 HB3 GLN 34 3HB GLN 34 -1.206 -12.459 2.109 250 HG2 GLN 34 2HG GLN 34 -1.202 -12.223 -0.249 251 HG3 GLN 34 3HG GLN 34 -2.838 -11.873 0.254 252 HE21 GLN 34 1HE2 GLN 34 -3.677 -9.724 -0.238 253 HE22 GLN 34 2HE2 GLN 34 -2.595 -8.426 -0.759 254 H VAL 35 H VAL 35 -0.530 -8.801 2.784 255 HA VAL 35 HA VAL 35 -2.391 -6.787 3.411 256 HB VAL 35 HB VAL 35 -0.612 -5.309 3.430 257 HG11 VAL 35 1HG1 VAL 35 -0.902 -6.714 5.349 258 HG12 VAL 35 2HG1 VAL 35 0.257 -7.899 4.689 259 HG13 VAL 35 3HG1 VAL 35 0.790 -6.263 5.131 260 HG21 VAL 35 3HG2 VAL 35 0.693 -5.919 1.467 261 HG22 VAL 35 1HG2 VAL 35 1.718 -5.872 2.905 262 HG23 VAL 35 2HG2 VAL 35 1.191 -7.440 2.254 263 H ARG 36 H ARG 36 -2.912 -4.867 2.443 264 HA ARG 36 HA ARG 36 -2.491 -4.559 -0.475 265 HB2 ARG 36 2HB ARG 36 -4.797 -3.883 -0.841 266 HB3 ARG 36 3HB ARG 36 -4.694 -5.547 -0.266 267 HG2 ARG 36 2HG ARG 36 -5.486 -4.954 1.932 268 HG3 ARG 36 3HG ARG 36 -5.446 -3.236 1.548 269 HD2 ARG 36 2HD ARG 36 -7.134 -3.605 -0.253 270 HD3 ARG 36 3HD ARG 36 -7.230 -5.307 0.201 271 HE ARG 36 HE ARG 36 -7.697 -3.699 2.527 272 HH11 ARG 36 1HH2 ARG 36 -9.474 -4.601 -0.402 273 HH12 ARG 36 2HH2 ARG 36 -10.939 -3.927 0.234 274 HH21 ARG 36 1HH1 ARG 36 -9.604 -2.989 3.253 275 HH22 ARG 36 2HH1 ARG 36 -11.042 -3.112 2.257 276 H LEU 37 H LEU 37 -1.978 -2.529 -1.061 277 HA LEU 37 HA LEU 37 -2.079 -0.412 1.027 278 HB2 LEU 37 2HB LEU 37 -0.230 -0.394 -1.367 279 HB3 LEU 37 3HB LEU 37 -0.263 0.665 0.074 280 HG LEU 37 HG LEU 37 1.626 -0.540 0.328 281 HD11 LEU 37 1HD1 LEU 37 -0.331 -2.106 2.029 282 HD12 LEU 37 2HD1 LEU 37 1.377 -1.746 2.359 283 HD13 LEU 37 3HD1 LEU 37 0.190 -0.430 2.304 284 HD21 LEU 37 3HD2 LEU 37 0.205 -3.204 -0.119 285 HD22 LEU 37 1HD2 LEU 37 1.187 -2.352 -1.333 286 HD23 LEU 37 2HD2 LEU 37 1.924 -2.913 0.179 287 H SER 38 H SER 38 -2.787 1.656 0.430 288 HA SER 38 HA SER 38 -4.218 1.867 -2.174 289 HB2 SER 38 2HB SER 38 -5.948 1.590 -0.571 290 HB3 SER 38 3HB SER 38 -5.166 2.706 0.561 291 HG SER 38 HG SER 38 -6.715 3.889 -0.394 292 H LYS 39 H LYS 39 -4.114 3.808 -3.212 293 HA LYS 39 HA LYS 39 -2.689 6.138 -1.935 294 HB2 LYS 39 2HB LYS 39 -1.622 5.531 -4.030 295 HB3 LYS 39 3HB LYS 39 -3.186 5.406 -4.829 296 HG2 LYS 39 2HG LYS 39 -2.384 7.351 -5.666 297 HG3 LYS 39 3HG LYS 39 -3.489 7.923 -4.420 298 HD2 LYS 39 2HD LYS 39 -1.668 8.549 -2.977 299 HD3 LYS 39 3HD LYS 39 -0.478 7.737 -4.029 300 HE2 LYS 39 2HE LYS 39 -1.025 9.226 -5.889 301 HE3 LYS 39 3HE LYS 39 -2.325 9.982 -4.965 302 HZ1 LYS 39 3HZ LYS 39 0.527 10.105 -4.151 303 HZ2 LYS 39 1HZ LYS 39 -0.233 11.287 -4.995 304 HZ3 LYS 39 2HZ LYS 39 -0.730 10.954 -3.484 305 H LYS 40 H LYS 40 -3.976 7.750 -1.293 306 HA LYS 40 HA LYS 40 -6.834 7.812 -2.114 307 HB2 LYS 40 2HB LYS 40 -6.518 7.831 0.188 308 HB3 LYS 40 3HB LYS 40 -5.269 9.045 0.136 309 HG2 LYS 40 2HG LYS 40 -8.166 9.579 -0.712 310 HG3 LYS 40 3HG LYS 40 -7.630 9.696 0.959 311 HD2 LYS 40 2HD LYS 40 -6.883 11.491 -1.345 312 HD3 LYS 40 3HD LYS 40 -7.640 11.912 0.188 313 HE2 LYS 40 2HE LYS 40 -5.503 11.417 1.379 314 HE3 LYS 40 3HE LYS 40 -4.776 10.944 -0.165 315 HZ1 LYS 40 3HZ LYS 40 -4.085 13.107 0.229 316 HZ2 LYS 40 1HZ LYS 40 -5.184 13.240 -0.943 317 HZ3 LYS 40 2HZ LYS 40 -5.594 13.673 0.594 318 H MET 41 H MET 41 -7.289 8.900 -3.905 319 HA MET 41 HA MET 41 -6.311 11.623 -4.313 320 HB2 MET 41 2HB MET 41 -5.288 11.298 -6.476 321 HB3 MET 41 3HB MET 41 -4.410 10.419 -5.231 322 HG2 MET 41 2HG MET 41 -5.525 8.310 -5.947 323 HG3 MET 41 3HG MET 41 -6.377 9.209 -7.210 324 HE1 MET 41 3HE MET 41 -4.867 6.669 -7.883 325 HE2 MET 41 1HE MET 41 -5.653 7.709 -9.096 326 HE3 MET 41 2HE MET 41 -3.982 7.137 -9.353 327 H VAL 42 H VAL 42 -7.693 12.866 -5.612 328 HA VAL 42 HA VAL 42 -10.141 11.863 -6.595 329 HB VAL 42 HB VAL 42 -9.824 14.201 -6.132 330 HG11 VAL 42 1HG1 VAL 42 -8.014 14.381 -8.572 331 HG12 VAL 42 2HG1 VAL 42 -8.591 15.725 -7.570 332 HG13 VAL 42 3HG1 VAL 42 -7.480 14.535 -6.884 333 HG21 VAL 42 3HG2 VAL 42 -10.413 13.847 -9.078 334 HG22 VAL 42 1HG2 VAL 42 -11.554 13.512 -7.749 335 HG23 VAL 42 2HG2 VAL 42 -10.959 15.159 -8.014 336 H ASP 43 H ASP 43 -10.795 10.926 -8.435 337 HA ASP 43 HA ASP 43 -8.818 9.677 -10.146 338 HB2 ASP 43 2HB ASP 43 -10.982 8.635 -9.518 339 HB3 ASP 43 3HB ASP 43 -11.832 9.854 -10.466 340 HA PRO 44 HA PRO 44 -8.446 13.194 -12.822 341 HB2 PRO 44 2HB PRO 44 -6.801 12.187 -14.787 342 HB3 PRO 44 3HB PRO 44 -6.253 12.492 -13.111 343 HG2 PRO 44 2HG PRO 44 -7.243 9.864 -14.286 344 HG3 PRO 44 3HG PRO 44 -5.729 10.159 -13.361 345 HD2 PRO 44 2HD PRO 44 -7.946 9.202 -12.166 346 HD3 PRO 44 3HD PRO 44 -6.910 10.407 -11.339 347 H GLU 45 H GLU 45 -10.092 10.349 -13.905 348 HA GLU 45 HA GLU 45 -11.151 11.786 -16.326 349 HB2 GLU 45 2HB GLU 45 -11.147 8.820 -15.648 350 HB3 GLU 45 3HB GLU 45 -11.932 9.557 -17.049 351 HG2 GLU 45 2HG GLU 45 -9.711 10.445 -17.799 352 HG3 GLU 45 3HG GLU 45 -8.939 9.574 -16.471 353 H LYS 46 H LYS 46 -11.869 10.998 -13.134 354 HA LYS 46 HA LYS 46 -14.761 11.646 -13.451 355 HB2 LYS 46 2HB LYS 46 -13.663 9.208 -11.996 356 HB3 LYS 46 3HB LYS 46 -15.308 9.829 -11.805 357 HG2 LYS 46 2HG LYS 46 -15.718 9.502 -14.229 358 HG3 LYS 46 3HG LYS 46 -14.132 8.720 -14.381 359 HD2 LYS 46 2HD LYS 46 -16.292 7.823 -12.427 360 HD3 LYS 46 3HD LYS 46 -16.118 7.166 -14.069 361 HE2 LYS 46 2HE LYS 46 -13.774 6.477 -13.524 362 HE3 LYS 46 3HE LYS 46 -14.003 7.049 -11.869 363 HZ1 LYS 46 3HZ LYS 46 -15.573 4.881 -13.163 364 HZ2 LYS 46 1HZ LYS 46 -14.413 4.663 -12.039 365 HZ3 LYS 46 2HZ LYS 46 -15.808 5.408 -11.635 366 HA PRO 47 HA PRO 47 -12.539 13.665 -9.851 367 HB2 PRO 47 2HB PRO 47 -12.821 16.329 -10.497 368 HB3 PRO 47 3HB PRO 47 -11.445 15.301 -10.994 369 HG2 PRO 47 2HG PRO 47 -13.951 15.958 -12.588 370 HG3 PRO 47 3HG PRO 47 -12.242 16.028 -13.134 371 HD2 PRO 47 2HD PRO 47 -13.817 13.897 -13.692 372 HD3 PRO 47 3HD PRO 47 -12.088 13.691 -13.276 373 H GLN 48 H GLN 48 -15.668 13.865 -11.286 374 HA GLN 48 HA GLN 48 -17.127 15.245 -9.261 375 HB2 GLN 48 2HB GLN 48 -17.890 14.631 -11.567 376 HB3 GLN 48 3HB GLN 48 -18.016 12.942 -11.048 377 HG2 GLN 48 2HG GLN 48 -19.744 13.575 -9.390 378 HG3 GLN 48 3HG GLN 48 -19.539 15.280 -9.804 379 HE21 GLN 48 2HE2 GLN 48 -22.048 14.727 -10.008 380 HE22 GLN 48 1HE2 GLN 48 -22.545 14.330 -11.648 381 H LEU 49 H LEU 49 -15.736 11.953 -9.267 382 HA LEU 49 HA LEU 49 -17.090 10.861 -6.982 383 HB2 LEU 49 2HB LEU 49 -14.247 10.684 -8.079 384 HB3 LEU 49 3HB LEU 49 -14.743 9.765 -6.682 385 HG LEU 49 HG LEU 49 -16.157 9.462 -9.355 386 HD11 LEU 49 1HD1 LEU 49 -14.700 7.426 -9.562 387 HD12 LEU 49 2HD1 LEU 49 -13.791 8.953 -9.614 388 HD13 LEU 49 3HD1 LEU 49 -13.784 7.989 -8.136 389 HD21 LEU 49 3HD2 LEU 49 -15.965 7.764 -6.819 390 HD22 LEU 49 1HD2 LEU 49 -17.395 8.667 -7.358 391 HD23 LEU 49 2HD2 LEU 49 -16.814 7.292 -8.313 392 H GLY 50 H GLY 50 -14.537 13.311 -7.228 393 HA2 GLY 50 2HA GLY 50 -13.117 14.253 -5.652 394 HA3 GLY 50 3HA GLY 50 -14.077 13.551 -4.344 395 H MET 51 H MET 51 -12.178 12.854 -3.388 396 HA MET 51 HA MET 51 -10.151 11.298 -4.556 397 HB2 MET 51 2HB MET 51 -10.537 11.575 -1.582 398 HB3 MET 51 3HB MET 51 -9.052 11.457 -2.527 399 HG2 MET 51 2HG MET 51 -9.905 13.762 -3.563 400 HG3 MET 51 3HG MET 51 -10.901 13.812 -2.112 401 HE1 MET 51 3HE MET 51 -7.282 12.936 -3.187 402 HE2 MET 51 1HE MET 51 -7.667 14.554 -3.803 403 HE3 MET 51 2HE MET 51 -6.392 14.360 -2.579 404 H ILE 52 H ILE 52 -9.845 9.176 -4.699 405 HA ILE 52 HA ILE 52 -11.592 7.317 -3.166 406 HB ILE 52 HB ILE 52 -11.352 5.760 -5.144 407 HG12 ILE 52 2HG1 ILE 52 -10.722 8.234 -6.793 408 HG13 ILE 52 3HG1 ILE 52 -9.439 7.188 -6.177 409 HG21 ILE 52 1HG2 ILE 52 -12.922 8.303 -5.664 410 HG22 ILE 52 2HG2 ILE 52 -13.247 6.671 -6.303 411 HG23 ILE 52 3HG2 ILE 52 -13.409 6.981 -4.573 412 HD11 ILE 52 3HD1 ILE 52 -10.380 5.250 -7.327 413 HD12 ILE 52 1HD1 ILE 52 -11.697 6.263 -7.987 414 HD13 ILE 52 2HD1 ILE 52 -10.014 6.591 -8.440 415 H ASP 53 H ASP 53 -10.748 5.139 -3.030 416 HA ASP 53 HA ASP 53 -7.899 5.131 -2.216 417 HB2 ASP 53 2HB ASP 53 -10.342 3.496 -1.451 418 HB3 ASP 53 3HB ASP 53 -8.724 2.866 -1.184 419 H ARG 54 H ARG 54 -6.855 4.823 -4.075 420 HA ARG 54 HA ARG 54 -7.493 2.726 -6.054 421 HB2 ARG 54 2HB ARG 54 -6.183 5.144 -6.217 422 HB3 ARG 54 3HB ARG 54 -4.817 4.059 -6.043 423 HG2 ARG 54 2HG ARG 54 -5.102 4.376 -8.323 424 HG3 ARG 54 3HG ARG 54 -5.659 2.740 -7.996 425 HD2 ARG 54 2HD ARG 54 -7.973 3.399 -8.277 426 HD3 ARG 54 3HD ARG 54 -7.574 5.113 -8.085 427 HE ARG 54 HE ARG 54 -6.172 4.110 -10.363 428 HH11 ARG 54 1HH2 ARG 54 -9.468 4.853 -9.494 429 HH12 ARG 54 2HH2 ARG 54 -9.760 5.733 -10.976 430 HH21 ARG 54 1HH1 ARG 54 -6.722 4.993 -12.369 431 HH22 ARG 54 2HH1 ARG 54 -8.349 5.575 -12.608 432 H TRP 55 H TRP 55 -7.260 0.656 -5.268 433 HA TRP 55 HA TRP 55 -5.184 -0.019 -3.357 434 HB2 TRP 55 2HB TRP 55 -7.191 -1.759 -4.791 435 HB3 TRP 55 3HB TRP 55 -6.050 -2.342 -3.589 436 HD1 TRP 55 HD1 TRP 55 -9.432 -0.933 -3.866 437 HE1 TRP 55 HE1 TRP 55 -10.413 -0.378 -1.571 438 HE3 TRP 55 HE3 TRP 55 -5.185 -1.363 -1.017 439 HZ2 TRP 55 HZ2 TRP 55 -9.474 -0.043 1.137 440 HZ3 TRP 55 HZ3 TRP 55 -5.249 -0.838 1.408 441 HH2 TRP 55 HH2 TRP 55 -7.385 -0.197 2.498 442 H TYR 56 H TYR 56 -3.480 -1.407 -3.519 443 HA TYR 56 HA TYR 56 -2.424 -2.385 -6.106 444 HB2 TYR 56 2HB TYR 56 -0.967 -0.684 -4.030 445 HB3 TYR 56 3HB TYR 56 -0.224 -1.427 -5.439 446 HD1 TYR 56 HD2 TYR 56 -0.991 -0.742 -7.733 447 HD2 TYR 56 HD1 TYR 56 -2.053 1.468 -4.214 448 HE1 TYR 56 HE2 TYR 56 -1.551 1.254 -9.159 449 HE2 TYR 56 HE1 TYR 56 -2.632 3.427 -5.615 450 HH TYR 56 HH TYR 56 -2.727 4.306 -7.746 451 H HIS 57 H HIS 57 -0.821 -3.961 -5.886 452 HA HIS 57 HA HIS 57 -0.851 -5.763 -3.571 453 HB2 HIS 57 2HB HIS 57 0.899 -5.694 -6.039 454 HB3 HIS 57 3HB HIS 57 1.100 -6.874 -4.773 455 HD2 HIS 57 HD2 HIS 57 -1.303 -8.360 -4.191 456 HE1 HIS 57 HE1 HIS 57 -2.441 -8.398 -8.284 457 HE2 HIS 57 HE2 HIS 57 -2.774 -9.528 -6.060 458 HA PRO 58 HA PRO 58 2.839 -4.040 -1.436 459 HB2 PRO 58 2HB PRO 58 4.065 -6.369 -0.591 460 HB3 PRO 58 3HB PRO 58 2.685 -5.576 0.216 461 HG2 PRO 58 2HG PRO 58 2.624 -7.874 -1.762 462 HG3 PRO 58 3HG PRO 58 1.745 -7.727 -0.205 463 HD2 PRO 58 2HD PRO 58 0.515 -7.198 -2.526 464 HD3 PRO 58 3HD PRO 58 0.225 -6.159 -1.102 465 H GLY 59 H GLY 59 3.105 -6.347 -4.068 466 HA2 GLY 59 2HA GLY 59 5.944 -5.734 -4.613 467 HA3 GLY 59 3HA GLY 59 4.870 -6.766 -5.558 468 H CYS 60 HN CYS 60 2.803 -4.495 -5.681 469 HA CYS 60 HA CYS 60 3.992 -3.232 -8.079 470 HB2 CYS 60 2HB CYS 60 1.111 -3.395 -7.181 471 HB3 CYS 60 3HB CYS 60 1.708 -2.870 -8.762 472 H PHE 61 H PHE 61 2.471 -2.229 -5.001 473 HA PHE 61 HA PHE 61 2.352 0.534 -5.665 474 HB2 PHE 61 2HB PHE 61 1.675 0.863 -3.571 475 HB3 PHE 61 3HB PHE 61 1.481 -0.879 -3.580 476 HD1 PHE 61 HD2 PHE 61 3.453 -2.295 -2.691 477 HD2 PHE 61 HD1 PHE 61 3.108 1.928 -2.030 478 HE1 PHE 61 HE2 PHE 61 4.851 -2.523 -0.638 479 HE2 PHE 61 HE1 PHE 61 4.465 1.708 0.056 480 HZ PHE 61 HZ PHE 61 5.301 -0.524 0.770 481 H VAL 62 H VAL 62 5.076 -1.432 -4.564 482 HA VAL 62 HA VAL 62 7.091 0.603 -4.476 483 HB VAL 62 HB VAL 62 7.379 -2.299 -5.339 484 HG11 VAL 62 1HG1 VAL 62 9.457 -0.298 -4.336 485 HG12 VAL 62 2HG1 VAL 62 9.738 -2.031 -4.576 486 HG13 VAL 62 3HG1 VAL 62 9.384 -1.010 -5.966 487 HG21 VAL 62 3HG2 VAL 62 6.442 -2.141 -3.059 488 HG22 VAL 62 1HG2 VAL 62 8.116 -2.697 -3.041 489 HG23 VAL 62 2HG2 VAL 62 7.740 -1.020 -2.593 490 H LYS 63 H LYS 63 5.877 -1.320 -7.287 491 HA LYS 63 HA LYS 63 7.812 -0.265 -9.158 492 HB2 LYS 63 2HB LYS 63 5.106 -1.596 -9.597 493 HB3 LYS 63 3HB LYS 63 6.198 -1.126 -10.898 494 HG2 LYS 63 2HG LYS 63 7.985 -2.564 -9.917 495 HG3 LYS 63 3HG LYS 63 6.838 -3.150 -8.717 496 HD2 LYS 63 2HD LYS 63 6.551 -3.402 -11.745 497 HD3 LYS 63 3HD LYS 63 7.120 -4.687 -10.690 498 HE2 LYS 63 2HE LYS 63 4.362 -3.411 -10.407 499 HE3 LYS 63 3HE LYS 63 4.668 -4.783 -11.467 500 HZ1 LYS 63 3HZ LYS 63 3.865 -5.352 -9.184 501 HZ2 LYS 63 1HZ LYS 63 5.256 -6.125 -9.613 502 HZ3 LYS 63 2HZ LYS 63 5.298 -4.854 -8.572 503 H ASN 64 H ASN 64 4.613 0.927 -8.188 504 HA ASN 64 HA ASN 64 4.990 3.280 -9.980 505 HB2 ASN 64 2HB ASN 64 2.429 3.544 -9.002 506 HB3 ASN 64 3HB ASN 64 2.935 3.038 -10.589 507 HD21 ASN 64 1HD2 ASN 64 1.647 1.898 -7.489 508 HD22 ASN 64 2HD2 ASN 64 1.156 0.351 -8.170 509 H ARG 65 H ARG 65 6.077 2.632 -6.989 510 HA ARG 65 HA ARG 65 5.104 4.431 -5.218 511 HB2 ARG 65 2HB ARG 65 7.197 4.332 -4.101 512 HB3 ARG 65 3HB ARG 65 6.986 2.794 -4.904 513 HG2 ARG 65 2HG ARG 65 8.443 3.740 -6.811 514 HG3 ARG 65 3HG ARG 65 8.789 5.109 -5.739 515 HD2 ARG 65 2HD ARG 65 9.787 3.660 -4.096 516 HD3 ARG 65 3HD ARG 65 9.337 2.211 -5.007 517 HE ARG 65 HE ARG 65 11.597 3.989 -5.484 518 HH11 ARG 65 1HH2 ARG 65 9.528 1.658 -7.132 519 HH12 ARG 65 2HH2 ARG 65 10.761 1.306 -8.316 520 HH21 ARG 65 1HH1 ARG 65 13.083 3.487 -7.043 521 HH22 ARG 65 2HH1 ARG 65 12.699 2.320 -8.272 522 H GLU 66 H GLU 66 7.232 5.297 -7.882 523 HA GLU 66 HA GLU 66 7.555 8.036 -7.002 524 HB2 GLU 66 2HB GLU 66 8.866 8.290 -9.069 525 HB3 GLU 66 3HB GLU 66 9.381 6.936 -8.053 526 HG2 GLU 66 2HG GLU 66 8.287 5.326 -9.524 527 HG3 GLU 66 3HG GLU 66 7.609 6.626 -10.512 528 H GLU 67 H GLU 67 5.248 6.384 -8.976 529 HA GLU 67 HA GLU 67 3.986 8.812 -10.040 530 HB2 GLU 67 2HB GLU 67 3.949 6.583 -11.234 531 HB3 GLU 67 3HB GLU 67 2.925 5.972 -9.938 532 HG2 GLU 67 2HG GLU 67 1.495 6.550 -11.727 533 HG3 GLU 67 3HG GLU 67 1.236 7.749 -10.472 534 H LEU 68 H LEU 68 3.497 6.406 -7.405 535 HA LEU 68 HA LEU 68 1.197 7.717 -6.255 536 HB2 LEU 68 2HB LEU 68 3.168 5.829 -4.916 537 HB3 LEU 68 3HB LEU 68 1.561 6.249 -4.343 538 HG LEU 68 HG LEU 68 2.279 4.567 -6.766 539 HD11 LEU 68 1HD1 LEU 68 2.342 3.417 -4.618 540 HD12 LEU 68 2HD1 LEU 68 0.692 3.973 -4.251 541 HD13 LEU 68 3HD1 LEU 68 0.975 2.846 -5.589 542 HD21 LEU 68 3HD2 LEU 68 0.392 5.941 -7.466 543 HD22 LEU 68 1HD2 LEU 68 -0.090 4.272 -7.203 544 HD23 LEU 68 2HD2 LEU 68 -0.491 5.504 -5.986 545 H GLY 69 H GLY 69 4.620 8.368 -5.910 546 HA2 GLY 69 2HA GLY 69 5.205 10.665 -5.497 547 HA3 GLY 69 3HA GLY 69 3.881 10.815 -4.347 548 H PHE 70 H PHE 70 5.824 7.931 -4.034 549 HA PHE 70 HA PHE 70 6.746 8.601 -1.386 550 HB2 PHE 70 2HB PHE 70 7.407 6.395 -3.351 551 HB3 PHE 70 3HB PHE 70 8.249 6.541 -1.828 552 HD1 PHE 70 HD2 PHE 70 4.910 5.860 -3.326 553 HD2 PHE 70 HD1 PHE 70 7.286 5.919 0.266 554 HE1 PHE 70 HE2 PHE 70 3.172 4.526 -2.158 555 HE2 PHE 70 HE1 PHE 70 5.549 4.587 1.436 556 HZ PHE 70 HZ PHE 70 3.493 3.890 0.223 557 H ARG 71 H ARG 71 8.623 9.265 -0.633 558 HA ARG 71 HA ARG 71 11.090 9.434 -2.257 559 HB2 ARG 71 2HB ARG 71 10.005 11.631 -0.432 560 HB3 ARG 71 3HB ARG 71 11.624 11.616 -1.119 561 HG2 ARG 71 2HG ARG 71 10.730 11.798 -3.392 562 HG3 ARG 71 3HG ARG 71 9.065 11.725 -2.777 563 HD2 ARG 71 2HD ARG 71 9.441 13.730 -1.424 564 HD3 ARG 71 3HD ARG 71 11.093 13.868 -2.021 565 HE ARG 71 HE ARG 71 8.607 14.564 -3.425 566 HH11 ARG 71 1HH2 ARG 71 12.022 13.943 -3.933 567 HH12 ARG 71 2HH2 ARG 71 12.033 14.774 -5.465 568 HH21 ARG 71 1HH1 ARG 71 8.696 15.596 -5.382 569 HH22 ARG 71 2HH1 ARG 71 10.198 15.684 -6.255 570 HA PRO 72 HA PRO 72 12.894 7.452 1.259 571 HB2 PRO 72 2HB PRO 72 14.982 9.641 1.343 572 HB3 PRO 72 3HB PRO 72 15.207 7.864 1.419 573 HG2 PRO 72 2HG PRO 72 15.645 9.160 -0.906 574 HG3 PRO 72 3HG PRO 72 14.701 7.633 -0.919 575 HD2 PRO 72 2HD PRO 72 13.667 10.483 -0.977 576 HD3 PRO 72 3HD PRO 72 13.178 9.082 -1.978 577 H GLU 73 H GLU 73 12.345 10.953 1.684 578 HA GLU 73 HA GLU 73 12.520 10.919 4.562 579 HB2 GLU 73 2HB GLU 73 11.609 13.146 4.461 580 HB3 GLU 73 3HB GLU 73 12.829 12.939 3.207 581 HG2 GLU 73 2HG GLU 73 10.982 12.565 1.532 582 HG3 GLU 73 3HG GLU 73 9.806 12.901 2.804 583 H TYR 74 H TYR 74 10.051 9.676 2.512 584 HA TYR 74 HA TYR 74 8.451 9.027 4.853 585 HB2 TYR 74 2HB TYR 74 6.293 9.801 3.719 586 HB3 TYR 74 3HB TYR 74 7.299 10.932 4.588 587 HD1 TYR 74 HD1 TYR 74 7.692 9.803 1.017 588 HD2 TYR 74 HD2 TYR 74 6.721 12.992 3.744 589 HE1 TYR 74 HE1 TYR 74 7.449 11.382 -0.900 590 HE2 TYR 74 HE2 TYR 74 6.509 14.570 1.828 591 HH TYR 74 HH TYR 74 6.851 13.473 -1.565 592 H SER 75 H SER 75 9.667 7.150 4.112 593 HA SER 75 HA SER 75 8.710 5.336 2.119 594 HB2 SER 75 2HB SER 75 9.859 3.690 3.610 595 HB3 SER 75 3HB SER 75 10.846 5.103 3.219 596 HG SER 75 HG SER 75 10.818 4.503 5.513 597 H ALA 76 H ALA 76 7.967 3.076 3.152 598 HA ALA 76 HA ALA 76 5.246 3.071 3.527 599 HB1 ALA 76 1HB ALA 76 5.597 0.750 4.361 600 HB2 ALA 76 2HB ALA 76 6.562 1.103 2.919 601 HB3 ALA 76 3HB ALA 76 7.331 1.082 4.526 602 H SER 77 H SER 77 7.511 3.743 6.173 603 HA SER 77 HA SER 77 5.841 3.073 8.362 604 HB2 SER 77 2HB SER 77 7.768 5.422 8.125 605 HB3 SER 77 3HB SER 77 7.206 4.661 9.626 606 HG SER 77 HG SER 77 9.306 3.945 8.936 607 H GLN 78 H GLN 78 5.626 5.657 6.024 608 HA GLN 78 HA GLN 78 3.784 7.218 7.640 609 HB2 GLN 78 2HB GLN 78 4.953 7.904 4.940 610 HB3 GLN 78 3HB GLN 78 4.162 8.995 6.074 611 HG2 GLN 78 2HG GLN 78 6.877 7.653 6.454 612 HG3 GLN 78 3HG GLN 78 6.558 9.341 6.110 613 HE21 GLN 78 2HE2 GLN 78 5.507 10.700 7.779 614 HE22 GLN 78 1HE2 GLN 78 5.742 10.226 9.454 615 H LEU 79 H LEU 79 3.083 4.569 6.173 616 HA LEU 79 HA LEU 79 0.701 5.396 4.601 617 HB2 LEU 79 2HB LEU 79 1.835 2.723 5.517 618 HB3 LEU 79 3HB LEU 79 0.295 2.863 4.697 619 HG LEU 79 HG LEU 79 2.764 3.941 3.327 620 HD11 LEU 79 1HD1 LEU 79 3.341 1.599 4.072 621 HD12 LEU 79 2HD1 LEU 79 1.943 1.013 3.175 622 HD13 LEU 79 3HD1 LEU 79 3.265 1.814 2.316 623 HD21 LEU 79 3HD2 LEU 79 1.542 3.430 1.336 624 HD22 LEU 79 1HD2 LEU 79 0.372 2.434 2.218 625 HD23 LEU 79 2HD2 LEU 79 0.396 4.182 2.455 626 H LYS 80 H LYS 80 -1.365 5.416 5.350 627 HA LYS 80 HA LYS 80 -1.963 5.588 8.119 628 HB2 LYS 80 2HB LYS 80 -3.931 4.808 5.929 629 HB3 LYS 80 3HB LYS 80 -4.332 5.358 7.552 630 HG2 LYS 80 2HG LYS 80 -3.099 7.493 7.050 631 HG3 LYS 80 3HG LYS 80 -2.997 6.966 5.358 632 HD2 LYS 80 2HD LYS 80 -5.538 7.461 6.987 633 HD3 LYS 80 3HD LYS 80 -4.855 8.562 5.785 634 HE2 LYS 80 2HE LYS 80 -5.215 6.880 4.007 635 HE3 LYS 80 3HE LYS 80 -5.881 5.750 5.198 636 HZ1 LYS 80 3HZ LYS 80 -7.645 6.948 4.037 637 HZ2 LYS 80 1HZ LYS 80 -7.672 7.339 5.621 638 HZ3 LYS 80 2HZ LYS 80 -7.065 8.394 4.530 639 H GLY 81 H GLY 81 -2.485 4.180 9.662 640 HA2 GLY 81 2HA GLY 81 -2.986 2.216 10.763 641 HA3 GLY 81 3HA GLY 81 -3.524 1.532 9.229 642 H PHE 82 H PHE 82 -0.252 2.497 8.839 643 HA PHE 82 HA PHE 82 0.721 -0.104 8.420 644 HB2 PHE 82 2HB PHE 82 1.847 1.731 7.460 645 HB3 PHE 82 3HB PHE 82 1.988 2.585 8.989 646 HD1 PHE 82 HD2 PHE 82 3.683 2.066 10.615 647 HD2 PHE 82 HD1 PHE 82 3.506 -0.020 6.849 648 HE1 PHE 82 HE2 PHE 82 6.001 1.221 10.977 649 HE2 PHE 82 HE1 PHE 82 5.831 -0.832 7.195 650 HZ PHE 82 HZ PHE 82 7.068 -0.227 9.257 651 H SER 83 H SER 83 1.032 1.950 11.350 652 HA SER 83 HA SER 83 2.625 0.248 12.888 653 HB2 SER 83 2HB SER 83 0.447 2.182 13.776 654 HB3 SER 83 3HB SER 83 1.749 1.550 14.812 655 HG SER 83 HG SER 83 2.269 3.609 13.927 656 H LEU 84 H LEU 84 -0.749 -0.192 12.125 657 HA LEU 84 HA LEU 84 -1.263 -2.018 14.402 658 HB2 LEU 84 2HB LEU 84 -3.016 -0.694 12.304 659 HB3 LEU 84 3HB LEU 84 -3.585 -2.032 13.278 660 HG LEU 84 HG LEU 84 -3.212 -0.770 15.353 661 HD11 LEU 84 1HD1 LEU 84 -1.487 0.838 14.799 662 HD12 LEU 84 2HD1 LEU 84 -2.489 1.542 13.501 663 HD13 LEU 84 3HD1 LEU 84 -2.950 1.726 15.208 664 HD21 LEU 84 3HD2 LEU 84 -4.911 0.679 13.279 665 HD22 LEU 84 1HD2 LEU 84 -5.396 -0.764 14.197 666 HD23 LEU 84 2HD2 LEU 84 -5.109 0.763 15.045 667 H LEU 85 H LEU 85 0.030 -2.353 11.281 668 HA LEU 85 HA LEU 85 -1.050 -4.989 10.659 669 HB2 LEU 85 2HB LEU 85 1.254 -3.316 9.661 670 HB3 LEU 85 3HB LEU 85 1.252 -5.029 9.332 671 HG LEU 85 HG LEU 85 -0.803 -4.913 8.091 672 HD11 LEU 85 1HD1 LEU 85 -0.834 -1.931 8.669 673 HD12 LEU 85 2HD1 LEU 85 -1.881 -2.771 7.506 674 HD13 LEU 85 3HD1 LEU 85 -2.033 -3.117 9.231 675 HD21 LEU 85 3HD2 LEU 85 1.097 -2.695 7.250 676 HD22 LEU 85 1HD2 LEU 85 1.332 -4.430 6.951 677 HD23 LEU 85 2HD2 LEU 85 -0.028 -3.585 6.197 678 H ALA 86 H ALA 86 0.398 -6.950 10.607 679 HA ALA 86 HA ALA 86 1.554 -7.528 13.200 680 HB1 ALA 86 1HB ALA 86 1.753 -9.039 10.560 681 HB2 ALA 86 2HB ALA 86 2.118 -9.679 12.175 682 HB3 ALA 86 3HB ALA 86 0.451 -9.229 11.752 683 H THR 87 H THR 87 3.756 -7.803 13.734 684 HA THR 87 HA THR 87 5.528 -5.846 12.907 685 HB THR 87 HB THR 87 6.354 -8.543 14.017 686 HG1 THR 87 1HG THR 87 5.897 -7.632 16.033 687 HG21 THR 87 1HG2 THR 87 7.491 -5.730 14.410 688 HG22 THR 87 2HG2 THR 87 8.049 -7.193 15.254 689 HG23 THR 87 3HG2 THR 87 8.263 -7.052 13.505 690 H GLU 88 H GLU 88 5.387 -9.212 11.674 691 HA GLU 88 HA GLU 88 7.739 -9.027 10.053 692 HB2 GLU 88 2HB GLU 88 6.968 -11.051 8.991 693 HB3 GLU 88 3HB GLU 88 6.764 -11.148 10.738 694 HG2 GLU 88 2HG GLU 88 4.316 -10.593 10.434 695 HG3 GLU 88 3HG GLU 88 4.564 -10.649 8.685 696 H ASP 89 H ASP 89 4.391 -8.001 9.389 697 HA ASP 89 HA ASP 89 4.978 -7.445 6.557 698 HB2 ASP 89 2HB ASP 89 2.579 -6.807 8.297 699 HB3 ASP 89 3HB ASP 89 2.719 -6.411 6.586 700 H LYS 90 H LYS 90 4.787 -5.590 9.601 701 HA LYS 90 HA LYS 90 5.209 -2.970 8.479 702 HB2 LYS 90 2HB LYS 90 5.847 -4.183 11.201 703 HB3 LYS 90 3HB LYS 90 6.125 -2.475 10.822 704 HG2 LYS 90 2HG LYS 90 3.849 -2.038 10.433 705 HG3 LYS 90 3HG LYS 90 3.419 -3.748 10.360 706 HD2 LYS 90 2HD LYS 90 2.624 -2.775 12.416 707 HD3 LYS 90 3HD LYS 90 3.818 -4.038 12.734 708 HE2 LYS 90 2HE LYS 90 5.535 -2.326 13.184 709 HE3 LYS 90 3HE LYS 90 4.389 -1.045 12.765 710 HZ1 LYS 90 3HZ LYS 90 4.088 -2.946 15.036 711 HZ2 LYS 90 1HZ LYS 90 4.468 -1.364 15.172 712 HZ3 LYS 90 2HZ LYS 90 2.981 -1.813 14.637 713 H GLU 91 H GLU 91 7.540 -5.451 9.536 714 HA GLU 91 HA GLU 91 9.889 -3.933 8.736 715 HB2 GLU 91 2HB GLU 91 9.427 -6.908 9.167 716 HB3 GLU 91 3HB GLU 91 11.002 -6.199 8.816 717 HG2 GLU 91 2HG GLU 91 9.304 -5.437 11.234 718 HG3 GLU 91 3HG GLU 91 10.562 -6.664 11.247 719 H ALA 92 H ALA 92 7.920 -6.450 7.028 720 HA ALA 92 HA ALA 92 9.543 -6.533 4.710 721 HB1 ALA 92 1HB ALA 92 6.565 -7.067 4.980 722 HB2 ALA 92 2HB ALA 92 7.605 -7.584 3.639 723 HB3 ALA 92 3HB ALA 92 7.878 -8.240 5.261 724 H LEU 93 H LEU 93 6.751 -4.336 5.381 725 HA LEU 93 HA LEU 93 6.737 -3.242 2.718 726 HB2 LEU 93 2HB LEU 93 5.628 -2.265 5.366 727 HB3 LEU 93 3HB LEU 93 5.368 -1.414 3.842 728 HG LEU 93 HG LEU 93 4.521 -4.309 4.259 729 HD11 LEU 93 1HD1 LEU 93 2.250 -3.395 4.539 730 HD12 LEU 93 2HD1 LEU 93 3.336 -2.838 5.822 731 HD13 LEU 93 3HD1 LEU 93 2.900 -1.739 4.491 732 HD21 LEU 93 3HD2 LEU 93 3.068 -3.840 2.308 733 HD22 LEU 93 1HD2 LEU 93 3.815 -2.237 2.142 734 HD23 LEU 93 2HD2 LEU 93 4.779 -3.711 1.896 735 H LYS 94 H LYS 94 8.528 -2.223 5.647 736 HA LYS 94 HA LYS 94 9.791 0.061 4.407 737 HB2 LYS 94 2HB LYS 94 10.581 -1.722 6.746 738 HB3 LYS 94 3HB LYS 94 11.470 -0.277 6.252 739 HG2 LYS 94 2HG LYS 94 9.473 1.129 6.637 740 HG3 LYS 94 3HG LYS 94 8.556 -0.282 7.168 741 HD2 LYS 94 2HD LYS 94 11.084 0.785 8.504 742 HD3 LYS 94 3HD LYS 94 9.431 1.082 9.063 743 HE2 LYS 94 2HE LYS 94 9.065 -1.294 9.478 744 HE3 LYS 94 3HE LYS 94 10.633 -1.699 8.781 745 HZ1 LYS 94 3HZ LYS 94 11.693 -0.463 10.578 746 HZ2 LYS 94 1HZ LYS 94 10.258 -0.138 11.286 747 HZ3 LYS 94 2HZ LYS 94 10.784 -1.702 11.134 748 H LYS 95 H LYS 95 10.687 -3.449 4.684 749 HA LYS 95 HA LYS 95 13.124 -3.098 3.204 750 HB2 LYS 95 2HB LYS 95 11.402 -5.542 3.709 751 HB3 LYS 95 3HB LYS 95 12.900 -5.610 2.774 752 HG2 LYS 95 2HG LYS 95 14.167 -4.646 4.664 753 HG3 LYS 95 3HG LYS 95 12.713 -4.618 5.655 754 HD2 LYS 95 2HD LYS 95 14.024 -7.113 4.487 755 HD3 LYS 95 3HD LYS 95 14.191 -6.537 6.152 756 HE2 LYS 95 2HE LYS 95 11.722 -6.777 6.466 757 HE3 LYS 95 3HE LYS 95 11.595 -7.436 4.827 758 HZ1 LYS 95 3HZ LYS 95 13.058 -9.260 5.513 759 HZ2 LYS 95 1HZ LYS 95 13.172 -8.662 7.029 760 HZ3 LYS 95 2HZ LYS 95 11.741 -9.216 6.473 761 H GLN 96 H GLN 96 9.845 -3.383 2.033 762 HA GLN 96 HA GLN 96 10.497 -3.872 -0.729 763 HB2 GLN 96 2HB GLN 96 8.045 -3.014 0.828 764 HB3 GLN 96 3HB GLN 96 8.025 -2.935 -0.906 765 HG2 GLN 96 2HG GLN 96 8.623 -5.466 0.675 766 HG3 GLN 96 3HG GLN 96 7.060 -5.039 -0.018 767 HE21 GLN 96 2HE2 GLN 96 6.874 -4.965 -2.435 768 HE22 GLN 96 1HE2 GLN 96 8.052 -5.890 -3.368 769 H LEU 97 H LEU 97 9.840 -0.824 1.091 770 HA LEU 97 HA LEU 97 11.633 0.498 -0.786 771 HB2 LEU 97 2HB LEU 97 10.344 2.231 -1.577 772 HB3 LEU 97 3HB LEU 97 9.507 0.744 -1.936 773 HG LEU 97 HG LEU 97 8.707 2.931 0.012 774 HD11 LEU 97 1HD1 LEU 97 7.343 1.642 -2.377 775 HD12 LEU 97 2HD1 LEU 97 6.692 2.956 -1.387 776 HD13 LEU 97 3HD1 LEU 97 8.158 3.228 -2.337 777 HD21 LEU 97 3HD2 LEU 97 7.414 0.194 -0.289 778 HD22 LEU 97 1HD2 LEU 97 8.194 0.834 1.173 779 HD23 LEU 97 2HD2 LEU 97 6.724 1.595 0.576 780 HA PRO 98 HA PRO 98 12.118 1.698 3.539 781 HB2 PRO 98 2HB PRO 98 14.951 1.613 3.564 782 HB3 PRO 98 3HB PRO 98 13.816 0.330 4.055 783 HG2 PRO 98 2HG PRO 98 15.505 0.433 1.666 784 HG3 PRO 98 3HG PRO 98 14.517 -0.917 2.299 785 HD2 PRO 98 2HD PRO 98 13.933 0.881 0.087 786 HD3 PRO 98 3HD PRO 98 13.032 -0.556 0.645 787 H GLY 99 H GLY 99 13.005 3.616 4.638 788 HA2 GLY 99 2HA GLY 99 14.203 5.779 2.955 789 HA3 GLY 99 3HA GLY 99 12.708 6.060 3.842 790 H VAL 100 H VAL 100 13.725 7.743 4.968 791 HA VAL 100 HA VAL 100 16.027 7.496 6.664 792 HB VAL 100 HB VAL 100 13.618 9.366 6.845 793 HG11 VAL 100 1HG1 VAL 100 16.343 9.539 8.218 794 HG12 VAL 100 2HG1 VAL 100 15.131 10.840 8.173 795 HG13 VAL 100 3HG1 VAL 100 14.763 9.340 9.015 796 HG21 VAL 100 3HG2 VAL 100 14.896 9.628 4.736 797 HG22 VAL 100 1HG2 VAL 100 15.126 11.021 5.794 798 HG23 VAL 100 2HG2 VAL 100 16.401 9.788 5.662 799 H LYS 101 H LYS 101 16.338 6.950 8.622 800 HA LYS 101 HA LYS 101 14.875 4.758 9.576 801 HB2 LYS 101 2HB LYS 101 17.371 5.360 9.799 802 HB3 LYS 101 3HB LYS 101 16.915 6.334 11.209 803 HG2 LYS 101 2HG LYS 101 15.881 4.294 12.216 804 HG3 LYS 101 3HG LYS 101 16.366 3.378 10.768 805 HD2 LYS 101 2HD LYS 101 18.752 3.866 11.261 806 HD3 LYS 101 3HD LYS 101 18.272 4.779 12.706 807 HE2 LYS 101 2HE LYS 101 17.245 2.733 13.663 808 HE3 LYS 101 3HE LYS 101 17.695 1.822 12.215 809 HZ1 LYS 101 3HZ LYS 101 19.623 3.101 14.084 810 HZ2 LYS 101 1HZ LYS 101 19.316 1.500 13.995 811 HZ3 LYS 101 2HZ LYS 101 20.035 2.260 12.745 812 H SER 102 H SER 102 15.012 8.023 10.966 813 HA SER 102 HA SER 102 13.843 9.076 12.619 814 HB2 SER 102 2HB SER 102 11.594 7.736 11.097 815 HB3 SER 102 3HB SER 102 11.418 9.143 12.169 816 HG SER 102 HG SER 102 11.660 9.764 9.980 817 H GLU 103 H GLU 103 14.787 6.521 13.606 818 HA GLU 103 HA GLU 103 14.539 4.945 15.209 819 HB2 GLU 103 2HB GLU 103 13.038 7.215 16.523 820 HB3 GLU 103 3HB GLU 103 13.463 5.711 17.338 821 HG2 GLU 103 2HG GLU 103 15.809 6.094 17.064 822 HG3 GLU 103 3HG GLU 103 15.531 7.470 15.993 823 H GLY 104 H GLY 104 12.564 4.835 13.033 824 HA2 GLY 104 2HA GLY 104 10.094 3.721 14.063 825 HA3 GLY 104 3HA GLY 104 10.656 3.727 12.393 826 H LYS 105 H LYS 105 12.593 2.332 14.939 827 HA LYS 105 HA LYS 105 11.696 -0.437 14.588 828 HB2 LYS 105 2HB LYS 105 13.119 -0.163 12.585 829 HB3 LYS 105 3HB LYS 105 14.473 0.366 13.587 830 HG2 LYS 105 2HG LYS 105 14.607 -1.830 14.657 831 HG3 LYS 105 3HG LYS 105 13.124 -2.360 13.835 832 HD2 LYS 105 2HD LYS 105 14.235 -2.257 11.659 833 HD3 LYS 105 3HD LYS 105 15.664 -1.507 12.379 834 HE2 LYS 105 2HE LYS 105 16.132 -3.832 11.935 835 HE3 LYS 105 3HE LYS 105 16.130 -3.549 13.678 836 HZ1 LYS 105 3HZ LYS 105 13.846 -4.714 12.151 837 HZ2 LYS 105 1HZ LYS 105 14.918 -5.582 13.033 838 HZ3 LYS 105 2HZ LYS 105 13.913 -4.533 13.777 839 H ARG 106 H ARG 106 14.382 1.584 15.733 840 HA ARG 106 HA ARG 106 14.092 0.534 18.509 841 HB2 ARG 106 2HB ARG 106 15.949 -0.690 17.460 842 HB3 ARG 106 3HB ARG 106 16.676 0.809 16.903 843 HG2 ARG 106 2HG ARG 106 17.858 -0.160 18.807 844 HG3 ARG 106 3HG ARG 106 17.256 1.454 19.182 845 HD2 ARG 106 2HD ARG 106 15.585 0.627 20.637 846 HD3 ARG 106 3HD ARG 106 15.635 -0.990 19.932 847 HE ARG 106 HE ARG 106 17.286 -1.585 21.392 848 HH11 ARG 106 1HH2 ARG 106 17.225 1.953 21.493 849 HH12 ARG 106 2HH2 ARG 106 18.454 1.976 22.743 850 HH21 ARG 106 1HH1 ARG 106 18.610 -1.379 23.193 851 HH22 ARG 106 2HH1 ARG 106 18.881 0.224 23.848 852 H LYS 107 H LYS 107 13.845 2.145 19.885 853 HA LYS 107 HA LYS 107 14.503 4.957 19.105 854 HB2 LYS 107 2HB LYS 107 12.614 3.727 21.130 855 HB3 LYS 107 3HB LYS 107 13.034 5.443 21.167 856 HG2 LYS 107 2HG LYS 107 12.057 5.870 19.063 857 HG3 LYS 107 3HG LYS 107 12.016 4.148 18.629 858 HD2 LYS 107 2HD LYS 107 10.241 3.729 20.253 859 HD3 LYS 107 3HD LYS 107 10.330 5.400 20.824 860 HE2 LYS 107 2HE LYS 107 8.429 5.119 19.306 861 HE3 LYS 107 3HE LYS 107 9.613 6.251 18.647 862 HZ1 LYS 107 3HZ LYS 107 10.410 4.514 17.168 863 HZ2 LYS 107 1HZ LYS 107 9.375 3.413 17.816 864 HZ3 LYS 107 2HZ LYS 107 8.794 4.687 16.972 865 H GLY 108 H GLY 108 15.346 6.367 20.740 866 HA2 GLY 108 2HA GLY 108 17.883 5.504 21.605 867 HA3 GLY 108 3HA GLY 108 17.156 7.068 21.944 868 H ASP 109 H ASP 109 16.213 3.842 23.131 869 HA ASP 109 HA ASP 109 16.084 2.794 25.083 870 HB2 ASP 109 2HB ASP 109 18.439 4.546 25.849 871 HB3 ASP 109 3HB ASP 109 17.840 3.197 26.803 872 H GLU 110 H GLU 110 15.852 6.284 25.524 873 HA GLU 110 HA GLU 110 14.624 5.921 28.111 874 HB2 GLU 110 2HB GLU 110 14.881 8.398 26.356 875 HB3 GLU 110 3HB GLU 110 14.267 8.403 28.013 876 HG2 GLU 110 2HG GLU 110 16.438 7.433 28.801 877 HG3 GLU 110 3HG GLU 110 17.074 7.578 27.161 878 H VAL 111 H VAL 111 13.351 5.949 24.940 879 HA VAL 111 HA VAL 111 10.555 5.848 25.974 880 HB VAL 111 HB VAL 111 9.730 7.102 24.038 881 HG11 VAL 111 1HG1 VAL 111 10.169 8.261 26.180 882 HG12 VAL 111 2HG1 VAL 111 11.782 8.718 25.590 883 HG13 VAL 111 3HG1 VAL 111 10.329 9.318 24.767 884 HG21 VAL 111 3HG2 VAL 111 11.212 8.437 22.636 885 HG22 VAL 111 1HG2 VAL 111 12.650 7.758 23.432 886 HG23 VAL 111 2HG2 VAL 111 11.592 6.722 22.445 887 H ASP 112 H ASP 112 12.639 3.834 25.011 888 HA ASP 112 HA ASP 112 11.377 2.616 22.640 889 HB2 ASP 112 2HB ASP 112 13.858 2.755 22.909 890 HB3 ASP 112 3HB ASP 112 13.745 1.660 24.278 Start of MODEL 24 1 H1 GLY 1 H1 GLY 1 -5.614 11.809 22.960 2 H2 GLY 1 H2 GLY 1 -6.926 12.169 22.048 3 H3 GLY 1 H3 GLY 1 -5.458 11.994 21.341 4 HA2 GLY 1 2HA GLY 1 -6.961 9.843 22.685 5 HA3 GLY 1 3HA GLY 1 -6.841 10.056 20.930 6 H SER 2 H SER 2 -5.961 7.807 22.706 7 HA SER 2 HA SER 2 -3.111 7.837 22.957 8 HB2 SER 2 2HB SER 2 -4.982 5.443 22.884 9 HB3 SER 2 3HB SER 2 -3.345 5.497 23.564 10 HG SER 2 HG SER 2 -4.969 5.750 25.177 11 H LYS 3 H LYS 3 -5.139 6.909 20.245 12 HA LYS 3 HA LYS 3 -2.967 5.508 18.809 13 HB2 LYS 3 2HB LYS 3 -5.294 4.711 18.718 14 HB3 LYS 3 3HB LYS 3 -5.801 6.219 17.951 15 HG2 LYS 3 2HG LYS 3 -4.458 5.720 15.964 16 HG3 LYS 3 3HG LYS 3 -3.738 4.304 16.761 17 HD2 LYS 3 2HD LYS 3 -5.970 3.258 16.946 18 HD3 LYS 3 3HD LYS 3 -6.717 4.638 16.144 19 HE2 LYS 3 2HE LYS 3 -4.576 2.867 14.866 20 HE3 LYS 3 3HE LYS 3 -6.309 2.557 14.748 21 HZ1 LYS 3 3HZ LYS 3 -5.720 3.762 12.829 22 HZ2 LYS 3 1HZ LYS 3 -6.492 4.855 13.758 23 HZ3 LYS 3 2HZ LYS 3 -4.852 4.878 13.605 24 H ALA 4 H ALA 4 -1.477 6.551 17.722 25 HA ALA 4 HA ALA 4 -2.067 9.027 16.212 26 HB1 ALA 4 1HB ALA 4 0.176 8.778 18.267 27 HB2 ALA 4 2HB ALA 4 -0.084 10.148 17.166 28 HB3 ALA 4 3HB ALA 4 -1.280 9.789 18.427 29 H GLU 5 H GLU 5 -0.765 9.338 14.425 30 HA GLU 5 HA GLU 5 1.161 7.196 13.634 31 HB2 GLU 5 2HB GLU 5 -1.380 8.044 12.186 32 HB3 GLU 5 3HB GLU 5 -0.073 7.142 11.411 33 HG2 GLU 5 2HG GLU 5 -0.398 5.227 12.796 34 HG3 GLU 5 3HG GLU 5 -1.441 6.099 13.917 35 H LYS 6 H LYS 6 2.599 7.755 11.986 36 HA LYS 6 HA LYS 6 3.078 10.676 11.691 37 HB2 LYS 6 2HB LYS 6 4.950 8.317 11.261 38 HB3 LYS 6 3HB LYS 6 5.380 10.028 11.132 39 HG2 LYS 6 2HG LYS 6 4.705 10.345 13.541 40 HG3 LYS 6 3HG LYS 6 4.412 8.610 13.652 41 HD2 LYS 6 2HD LYS 6 6.580 9.024 14.580 42 HD3 LYS 6 3HD LYS 6 6.779 8.156 13.062 43 HE2 LYS 6 2HE LYS 6 8.482 9.835 13.175 44 HE3 LYS 6 3HE LYS 6 7.343 10.321 11.920 45 HZ1 LYS 6 3HZ LYS 6 7.953 12.178 13.377 46 HZ2 LYS 6 1HZ LYS 6 6.357 11.882 13.527 47 HZ3 LYS 6 2HZ LYS 6 7.395 11.398 14.695 48 H THR 7 H THR 7 1.273 8.825 9.940 49 HA THR 7 HA THR 7 2.151 8.573 7.342 50 HB THR 7 HB THR 7 -0.627 9.480 8.106 51 HG1 THR 7 1HG THR 7 -1.041 7.428 8.715 52 HG21 THR 7 1HG2 THR 7 -1.417 8.559 6.184 53 HG22 THR 7 2HG2 THR 7 0.183 8.855 5.567 54 HG23 THR 7 3HG2 THR 7 -0.190 7.264 6.149 55 H LEU 8 H LEU 8 2.197 9.777 5.477 56 HA LEU 8 HA LEU 8 2.230 12.687 5.712 57 HB2 LEU 8 2HB LEU 8 3.045 12.808 3.618 58 HB3 LEU 8 3HB LEU 8 3.585 11.206 4.085 59 HG LEU 8 HG LEU 8 1.208 11.886 2.278 60 HD11 LEU 8 1HD1 LEU 8 3.863 10.568 1.643 61 HD12 LEU 8 2HD1 LEU 8 2.547 10.908 0.502 62 HD13 LEU 8 3HD1 LEU 8 3.427 12.247 1.257 63 HD21 LEU 8 3HD2 LEU 8 1.160 9.437 1.807 64 HD22 LEU 8 1HD2 LEU 8 2.324 9.195 3.132 65 HD23 LEU 8 2HD2 LEU 8 0.702 9.793 3.469 66 H GLY 9 H GLY 9 -0.436 10.603 5.321 67 HA2 GLY 9 2HA GLY 9 -2.682 11.178 5.303 68 HA3 GLY 9 3HA GLY 9 -2.277 12.842 4.903 69 H ASP 10 H ASP 10 -1.149 10.088 2.901 70 HA ASP 10 HA ASP 10 -3.191 10.703 0.859 71 HB2 ASP 10 2HB ASP 10 -0.643 11.854 0.757 72 HB3 ASP 10 3HB ASP 10 -0.505 10.445 -0.296 73 H PHE 11 H PHE 11 -1.271 8.248 2.362 74 HA PHE 11 HA PHE 11 -2.585 6.275 0.666 75 HB2 PHE 11 2HB PHE 11 -0.328 5.039 0.353 76 HB3 PHE 11 3HB PHE 11 -0.838 6.283 -0.731 77 HD1 PHE 11 HD2 PHE 11 1.263 6.158 2.450 78 HD2 PHE 11 HD1 PHE 11 0.762 7.652 -1.569 79 HE1 PHE 11 HE2 PHE 11 3.560 7.063 2.493 80 HE2 PHE 11 HE1 PHE 11 3.026 8.649 -1.474 81 HZ PHE 11 HZ PHE 11 4.436 8.328 0.551 82 H ALA 12 H ALA 12 -2.496 4.101 1.424 83 HA ALA 12 HA ALA 12 -2.319 3.880 4.390 84 HB1 ALA 12 1HB ALA 12 -4.739 3.250 2.662 85 HB2 ALA 12 2HB ALA 12 -4.630 3.088 4.425 86 HB3 ALA 12 3HB ALA 12 -4.566 4.697 3.670 87 H ALA 13 H ALA 13 -2.511 1.750 5.235 88 HA ALA 13 HA ALA 13 -1.970 -0.555 3.417 89 HB1 ALA 13 1HB ALA 13 -0.385 0.261 5.904 90 HB2 ALA 13 2HB ALA 13 -0.073 -1.151 4.859 91 HB3 ALA 13 3HB ALA 13 0.147 0.498 4.233 92 H GLU 14 H GLU 14 -2.957 -2.487 4.067 93 HA GLU 14 HA GLU 14 -3.714 -3.030 6.814 94 HB2 GLU 14 2HB GLU 14 -6.126 -3.222 6.407 95 HB3 GLU 14 3HB GLU 14 -5.577 -1.559 6.286 96 HG2 GLU 14 2HG GLU 14 -5.716 -1.612 3.854 97 HG3 GLU 14 3HG GLU 14 -6.042 -3.350 3.862 98 H TYR 15 H TYR 15 -4.974 -5.208 6.871 99 HA TYR 15 HA TYR 15 -4.054 -7.007 4.725 100 HB2 TYR 15 2HB TYR 15 -5.722 -7.545 7.193 101 HB3 TYR 15 3HB TYR 15 -5.129 -8.760 6.064 102 HD1 TYR 15 HD1 TYR 15 -2.377 -8.094 5.506 103 HD2 TYR 15 HD2 TYR 15 -4.514 -7.646 9.227 104 HE1 TYR 15 HE1 TYR 15 -0.274 -8.506 6.771 105 HE2 TYR 15 HE2 TYR 15 -2.381 -7.932 10.472 106 HH TYR 15 HH TYR 15 0.668 -8.798 8.774 107 H ALA 16 H ALA 16 -5.193 -7.813 3.119 108 HA ALA 16 HA ALA 16 -7.383 -6.422 2.086 109 HB1 ALA 16 1HB ALA 16 -6.271 -9.147 1.409 110 HB2 ALA 16 2HB ALA 16 -7.328 -8.186 0.348 111 HB3 ALA 16 3HB ALA 16 -5.697 -7.601 0.757 112 H LYS 17 H LYS 17 -9.467 -6.444 2.590 113 HA LYS 17 HA LYS 17 -10.559 -8.412 4.392 114 HB2 LYS 17 2HB LYS 17 -11.964 -6.138 2.918 115 HB3 LYS 17 3HB LYS 17 -12.609 -7.064 4.278 116 HG2 LYS 17 2HG LYS 17 -10.621 -6.264 5.657 117 HG3 LYS 17 3HG LYS 17 -10.221 -5.170 4.320 118 HD2 LYS 17 2HD LYS 17 -12.541 -4.170 4.522 119 HD3 LYS 17 3HD LYS 17 -12.829 -5.242 5.897 120 HE2 LYS 17 2HE LYS 17 -12.227 -3.244 6.927 121 HE3 LYS 17 3HE LYS 17 -10.743 -4.199 6.986 122 HZ1 LYS 17 3HZ LYS 17 -10.295 -1.931 6.243 123 HZ2 LYS 17 1HZ LYS 17 -9.959 -2.926 5.016 124 HZ3 LYS 17 2HZ LYS 17 -11.350 -2.054 5.009 125 H SER 18 H SER 18 -10.863 -7.998 0.894 126 HA SER 18 HA SER 18 -12.071 -10.670 0.702 127 HB2 SER 18 2HB SER 18 -14.016 -9.117 0.863 128 HB3 SER 18 3HB SER 18 -13.440 -8.287 -0.601 129 HG SER 18 HG SER 18 -15.032 -10.091 -0.827 130 H ASN 19 H ASN 19 -11.811 -11.646 -1.292 131 HA ASN 19 HA ASN 19 -9.627 -10.717 -2.969 132 HB2 ASN 19 2HB ASN 19 -9.893 -13.083 -2.364 133 HB3 ASN 19 3HB ASN 19 -11.482 -13.126 -3.133 134 HD21 ASN 19 2HD2 ASN 19 -8.208 -11.934 -4.222 135 HD22 ASN 19 1HD2 ASN 19 -8.218 -12.968 -5.643 136 H ARG 20 H ARG 20 -12.810 -9.750 -2.923 137 HA ARG 20 HA ARG 20 -13.324 -9.430 -5.767 138 HB2 ARG 20 2HB ARG 20 -14.304 -7.835 -3.354 139 HB3 ARG 20 3HB ARG 20 -14.929 -7.664 -4.991 140 HG2 ARG 20 2HG ARG 20 -15.142 -10.123 -3.213 141 HG3 ARG 20 3HG ARG 20 -16.441 -9.027 -3.660 142 HD2 ARG 20 2HD ARG 20 -14.927 -10.907 -5.515 143 HD3 ARG 20 3HD ARG 20 -16.556 -11.144 -4.875 144 HE ARG 20 HE ARG 20 -16.650 -8.675 -6.185 145 HH11 ARG 20 1HH2 ARG 20 -16.083 -11.988 -7.176 146 HH12 ARG 20 2HH2 ARG 20 -16.693 -11.707 -8.783 147 HH21 ARG 20 1HH1 ARG 20 -17.412 -8.386 -8.253 148 HH22 ARG 20 2HH1 ARG 20 -17.428 -9.720 -9.368 149 H SER 21 H SER 21 -11.373 -7.608 -3.490 150 HA SER 21 HA SER 21 -11.135 -5.235 -5.127 151 HB2 SER 21 2HB SER 21 -9.490 -4.472 -3.558 152 HB3 SER 21 3HB SER 21 -10.882 -5.150 -2.712 153 HG SER 21 HG SER 21 -9.623 -7.078 -2.372 154 H THR 22 H THR 22 -9.087 -4.362 -6.065 155 HA THR 22 HA THR 22 -7.517 -6.471 -7.444 156 HB THR 22 HB THR 22 -9.060 -4.363 -8.920 157 HG1 THR 22 1HG THR 22 -10.582 -5.648 -8.043 158 HG21 THR 22 1HG2 THR 22 -7.918 -6.968 -9.957 159 HG22 THR 22 2HG2 THR 22 -8.719 -5.709 -10.906 160 HG23 THR 22 3HG2 THR 22 -7.146 -5.377 -10.164 161 H CYS 23 HN CYS 23 -5.537 -5.875 -8.016 162 HA CYS 23 HA CYS 23 -4.480 -3.394 -6.994 163 HB2 CYS 23 2HB CYS 23 -3.258 -5.404 -6.738 164 HB3 CYS 23 3HB CYS 23 -3.494 -5.839 -8.431 165 H LYS 24 H LYS 24 -4.627 -1.546 -8.066 166 HA LYS 24 HA LYS 24 -4.911 -1.329 -10.985 167 HB2 LYS 24 2HB LYS 24 -4.810 0.544 -8.657 168 HB3 LYS 24 3HB LYS 24 -4.175 1.182 -10.167 169 HG2 LYS 24 2HG LYS 24 -6.514 1.707 -10.079 170 HG3 LYS 24 3HG LYS 24 -6.197 0.574 -11.377 171 HD2 LYS 24 2HD LYS 24 -8.255 -0.061 -10.343 172 HD3 LYS 24 3HD LYS 24 -7.067 -1.292 -9.911 173 HE2 LYS 24 2HE LYS 24 -6.729 -0.116 -7.703 174 HE3 LYS 24 3HE LYS 24 -8.000 1.033 -8.173 175 HZ1 LYS 24 3HZ LYS 24 -9.487 -0.974 -8.405 176 HZ2 LYS 24 1HZ LYS 24 -8.296 -1.877 -7.706 177 HZ3 LYS 24 2HZ LYS 24 -9.029 -0.678 -6.870 178 H GLY 25 H GLY 25 -2.209 -1.864 -9.011 179 HA2 GLY 25 2HA GLY 25 -0.200 -0.532 -10.644 180 HA3 GLY 25 3HA GLY 25 0.077 -1.754 -9.404 181 H CYS 26 HN CYS 26 -1.596 -3.773 -10.681 182 HA CYS 26 HA CYS 26 -0.279 -4.221 -13.306 183 HB2 CYS 26 2HB CYS 26 0.377 -6.457 -12.835 184 HB3 CYS 26 3HB CYS 26 1.074 -5.393 -11.610 185 H MET 27 H MET 27 -3.230 -4.183 -11.786 186 HA MET 27 HA MET 27 -5.296 -4.724 -12.357 187 HB2 MET 27 2HB MET 27 -4.448 -3.692 -14.566 188 HB3 MET 27 3HB MET 27 -4.453 -5.340 -15.181 189 HG2 MET 27 2HG MET 27 -6.565 -4.823 -15.772 190 HG3 MET 27 3HG MET 27 -6.954 -5.277 -14.121 191 HE1 MET 27 3HE MET 27 -5.742 -2.572 -12.555 192 HE2 MET 27 1HE MET 27 -7.255 -1.648 -12.441 193 HE3 MET 27 2HE MET 27 -7.261 -3.398 -12.126 194 H GLU 28 H GLU 28 -4.358 -6.599 -10.862 195 HA GLU 28 HA GLU 28 -6.130 -8.710 -11.751 196 HB2 GLU 28 2HB GLU 28 -4.858 -10.611 -11.474 197 HB3 GLU 28 3HB GLU 28 -3.885 -9.565 -12.501 198 HG2 GLU 28 2HG GLU 28 -2.465 -8.996 -10.552 199 HG3 GLU 28 3HG GLU 28 -3.472 -10.002 -9.512 200 H LYS 29 H LYS 29 -6.632 -10.278 -9.894 201 HA LYS 29 HA LYS 29 -7.524 -8.363 -7.911 202 HB2 LYS 29 2HB LYS 29 -8.383 -11.233 -8.198 203 HB3 LYS 29 3HB LYS 29 -9.017 -10.005 -7.074 204 HG2 LYS 29 2HG LYS 29 -9.511 -8.549 -9.067 205 HG3 LYS 29 3HG LYS 29 -9.205 -9.944 -10.103 206 HD2 LYS 29 2HD LYS 29 -11.026 -11.180 -9.095 207 HD3 LYS 29 3HD LYS 29 -11.226 -9.987 -7.810 208 HE2 LYS 29 2HE LYS 29 -11.687 -9.392 -10.758 209 HE3 LYS 29 3HE LYS 29 -12.957 -9.867 -9.624 210 HZ1 LYS 29 3HZ LYS 29 -12.411 -7.876 -8.285 211 HZ2 LYS 29 1HZ LYS 29 -11.273 -7.428 -9.349 212 HZ3 LYS 29 2HZ LYS 29 -12.842 -7.454 -9.812 213 H ILE 30 H ILE 30 -7.164 -8.147 -5.889 214 HA ILE 30 HA ILE 30 -4.645 -9.130 -4.845 215 HB ILE 30 HB ILE 30 -6.820 -7.271 -3.871 216 HG12 ILE 30 2HG1 ILE 30 -3.872 -6.726 -4.457 217 HG13 ILE 30 3HG1 ILE 30 -5.080 -6.717 -5.731 218 HG21 ILE 30 1HG2 ILE 30 -5.474 -6.646 -1.960 219 HG22 ILE 30 2HG2 ILE 30 -5.901 -8.339 -1.830 220 HG23 ILE 30 3HG2 ILE 30 -4.255 -7.886 -2.345 221 HD11 ILE 30 3HD1 ILE 30 -6.320 -4.916 -4.607 222 HD12 ILE 30 1HD1 ILE 30 -5.068 -4.852 -3.336 223 HD13 ILE 30 2HD1 ILE 30 -4.656 -4.469 -5.016 224 H GLU 31 H GLU 31 -4.219 -10.613 -3.227 225 HA GLU 31 HA GLU 31 -6.241 -12.655 -2.794 226 HB2 GLU 31 2HB GLU 31 -3.493 -12.435 -1.541 227 HB3 GLU 31 3HB GLU 31 -4.541 -13.856 -1.579 228 HG2 GLU 31 2HG GLU 31 -4.353 -13.693 -4.148 229 HG3 GLU 31 3HG GLU 31 -3.064 -12.506 -3.851 230 H LYS 32 H LYS 32 -7.391 -13.092 -1.010 231 HA LYS 32 HA LYS 32 -7.841 -11.021 0.970 232 HB2 LYS 32 2HB LYS 32 -9.552 -12.540 -0.056 233 HB3 LYS 32 3HB LYS 32 -8.930 -13.875 0.900 234 HG2 LYS 32 2HG LYS 32 -9.850 -11.299 2.225 235 HG3 LYS 32 3HG LYS 32 -11.030 -12.466 1.631 236 HD2 LYS 32 2HD LYS 32 -10.136 -14.223 3.072 237 HD3 LYS 32 3HD LYS 32 -8.909 -13.115 3.716 238 HE2 LYS 32 2HE LYS 32 -10.693 -11.593 4.524 239 HE3 LYS 32 3HE LYS 32 -11.923 -12.679 3.873 240 HZ1 LYS 32 3HZ LYS 32 -9.994 -13.392 6.022 241 HZ2 LYS 32 1HZ LYS 32 -11.578 -13.071 6.241 242 HZ3 LYS 32 2HZ LYS 32 -11.128 -14.400 5.412 243 H GLY 33 H GLY 33 -7.296 -10.924 3.120 244 HA2 GLY 33 2HA GLY 33 -6.359 -11.483 5.145 245 HA3 GLY 33 3HA GLY 33 -6.157 -13.144 4.586 246 H GLN 34 H GLN 34 -4.614 -10.821 2.570 247 HA GLN 34 HA GLN 34 -2.071 -10.838 4.096 248 HB2 GLN 34 2HB GLN 34 -0.739 -11.246 2.121 249 HB3 GLN 34 3HB GLN 34 -1.819 -12.583 2.454 250 HG2 GLN 34 2HG GLN 34 -1.816 -12.338 0.098 251 HG3 GLN 34 3HG GLN 34 -3.363 -11.722 0.642 252 HE21 GLN 34 1HE2 GLN 34 -3.905 -9.591 -0.074 253 HE22 GLN 34 2HE2 GLN 34 -2.655 -8.433 -0.565 254 H VAL 35 H VAL 35 -0.527 -9.076 3.062 255 HA VAL 35 HA VAL 35 -1.890 -6.650 3.670 256 HB VAL 35 HB VAL 35 0.860 -7.031 2.445 257 HG11 VAL 35 1HG1 VAL 35 1.339 -4.784 3.419 258 HG12 VAL 35 2HG1 VAL 35 0.164 -4.700 2.116 259 HG13 VAL 35 3HG1 VAL 35 -0.385 -4.595 3.803 260 HG21 VAL 35 3HG2 VAL 35 0.644 -8.117 4.658 261 HG22 VAL 35 1HG2 VAL 35 1.670 -6.691 4.744 262 HG23 VAL 35 2HG2 VAL 35 0.004 -6.602 5.342 263 H ARG 36 H ARG 36 -2.785 -5.062 2.543 264 HA ARG 36 HA ARG 36 -2.121 -4.712 -0.315 265 HB2 ARG 36 2HB ARG 36 -4.350 -4.168 -0.973 266 HB3 ARG 36 3HB ARG 36 -4.292 -5.808 -0.318 267 HG2 ARG 36 2HG ARG 36 -5.342 -5.083 1.765 268 HG3 ARG 36 3HG ARG 36 -5.258 -3.393 1.264 269 HD2 ARG 36 2HD ARG 36 -6.725 -3.921 -0.701 270 HD3 ARG 36 3HD ARG 36 -6.905 -5.567 -0.083 271 HE ARG 36 HE ARG 36 -7.569 -3.599 1.947 272 HH11 ARG 36 1HH2 ARG 36 -9.037 -5.058 -0.925 273 HH12 ARG 36 2HH2 ARG 36 -10.623 -4.586 -0.384 274 HH21 ARG 36 1HH1 ARG 36 -9.527 -3.150 2.532 275 HH22 ARG 36 2HH1 ARG 36 -10.919 -3.479 1.499 276 H LEU 37 H LEU 37 -1.970 -2.623 -0.991 277 HA LEU 37 HA LEU 37 -2.085 -0.505 1.108 278 HB2 LEU 37 2HB LEU 37 -0.244 -0.507 -1.302 279 HB3 LEU 37 3HB LEU 37 -0.272 0.587 0.100 280 HG LEU 37 HG LEU 37 1.636 -0.614 0.348 281 HD11 LEU 37 1HD1 LEU 37 0.192 -0.433 2.336 282 HD12 LEU 37 2HD1 LEU 37 -0.251 -2.139 2.156 283 HD13 LEU 37 3HD1 LEU 37 1.444 -1.690 2.440 284 HD21 LEU 37 3HD2 LEU 37 0.215 -3.296 0.062 285 HD22 LEU 37 1HD2 LEU 37 1.156 -2.496 -1.213 286 HD23 LEU 37 2HD2 LEU 37 1.933 -2.980 0.314 287 H SER 38 H SER 38 -2.701 1.643 0.363 288 HA SER 38 HA SER 38 -3.691 1.804 -2.391 289 HB2 SER 38 2HB SER 38 -5.841 2.820 -1.768 290 HB3 SER 38 3HB SER 38 -5.700 1.156 -1.212 291 HG SER 38 HG SER 38 -6.510 2.396 0.465 292 H LYS 39 H LYS 39 -4.025 3.832 -3.233 293 HA LYS 39 HA LYS 39 -2.794 6.169 -1.791 294 HB2 LYS 39 2HB LYS 39 -1.662 5.607 -3.885 295 HB3 LYS 39 3HB LYS 39 -3.203 5.546 -4.730 296 HG2 LYS 39 2HG LYS 39 -2.454 7.533 -5.446 297 HG3 LYS 39 3HG LYS 39 -3.429 8.085 -4.087 298 HD2 LYS 39 2HD LYS 39 -1.474 8.524 -2.758 299 HD3 LYS 39 3HD LYS 39 -0.414 7.703 -3.936 300 HE2 LYS 39 2HE LYS 39 -0.986 9.321 -5.673 301 HE3 LYS 39 3HE LYS 39 -2.175 10.100 -4.620 302 HZ1 LYS 39 3HZ LYS 39 -0.028 11.283 -4.740 303 HZ2 LYS 39 1HZ LYS 39 -0.466 10.901 -3.224 304 HZ3 LYS 39 2HZ LYS 39 0.723 10.027 -4.004 305 H LYS 40 H LYS 40 -4.149 7.710 -1.138 306 HA LYS 40 HA LYS 40 -6.946 7.815 -2.164 307 HB2 LYS 40 2HB LYS 40 -6.938 7.834 0.144 308 HB3 LYS 40 3HB LYS 40 -5.623 8.968 0.276 309 HG2 LYS 40 2HG LYS 40 -8.331 9.715 -0.982 310 HG3 LYS 40 3HG LYS 40 -8.086 9.718 0.756 311 HD2 LYS 40 2HD LYS 40 -6.790 11.563 -1.260 312 HD3 LYS 40 3HD LYS 40 -7.864 11.970 0.078 313 HE2 LYS 40 2HE LYS 40 -6.101 11.191 1.675 314 HE3 LYS 40 3HE LYS 40 -5.054 10.842 0.277 315 HZ1 LYS 40 3HZ LYS 40 -6.021 13.585 0.730 316 HZ2 LYS 40 1HZ LYS 40 -4.674 12.986 1.463 317 HZ3 LYS 40 2HZ LYS 40 -4.702 13.035 -0.142 318 H MET 41 H MET 41 -7.225 8.953 -3.946 319 HA MET 41 HA MET 41 -6.112 11.656 -4.177 320 HB2 MET 41 2HB MET 41 -5.048 11.305 -6.364 321 HB3 MET 41 3HB MET 41 -4.235 10.416 -5.082 322 HG2 MET 41 2HG MET 41 -5.337 8.325 -5.805 323 HG3 MET 41 3HG MET 41 -6.198 9.205 -7.072 324 HE1 MET 41 3HE MET 41 -5.409 7.404 -8.777 325 HE2 MET 41 1HE MET 41 -3.706 6.983 -9.079 326 HE3 MET 41 2HE MET 41 -4.460 6.559 -7.528 327 H VAL 42 H VAL 42 -7.466 13.016 -5.513 328 HA VAL 42 HA VAL 42 -9.790 11.892 -6.700 329 HB VAL 42 HB VAL 42 -10.003 14.117 -6.127 330 HG11 VAL 42 1HG1 VAL 42 -7.683 14.883 -6.098 331 HG12 VAL 42 2HG1 VAL 42 -7.642 14.864 -7.882 332 HG13 VAL 42 3HG1 VAL 42 -8.713 15.984 -6.999 333 HG21 VAL 42 3HG2 VAL 42 -11.146 13.494 -8.173 334 HG22 VAL 42 1HG2 VAL 42 -10.778 15.220 -8.056 335 HG23 VAL 42 2HG2 VAL 42 -9.798 14.185 -9.122 336 H ASP 43 H ASP 43 -10.198 11.006 -8.619 337 HA ASP 43 HA ASP 43 -8.051 9.880 -10.093 338 HB2 ASP 43 2HB ASP 43 -10.303 8.898 -9.768 339 HB3 ASP 43 3HB ASP 43 -10.987 10.132 -10.823 340 HA PRO 44 HA PRO 44 -7.257 13.483 -12.623 341 HB2 PRO 44 2HB PRO 44 -5.287 12.499 -14.281 342 HB3 PRO 44 3HB PRO 44 -5.027 12.856 -12.546 343 HG2 PRO 44 2HG PRO 44 -5.727 10.172 -13.801 344 HG3 PRO 44 3HG PRO 44 -4.394 10.540 -12.652 345 HD2 PRO 44 2HD PRO 44 -6.736 9.523 -11.805 346 HD3 PRO 44 3HD PRO 44 -5.903 10.791 -10.852 347 H GLU 45 H GLU 45 -8.593 10.554 -13.907 348 HA GLU 45 HA GLU 45 -9.319 11.914 -16.488 349 HB2 GLU 45 2HB GLU 45 -9.345 8.964 -15.748 350 HB3 GLU 45 3HB GLU 45 -9.905 9.653 -17.275 351 HG2 GLU 45 2HG GLU 45 -7.605 10.597 -17.652 352 HG3 GLU 45 3HG GLU 45 -7.051 9.748 -16.208 353 H LYS 46 H LYS 46 -10.520 11.209 -13.422 354 HA LYS 46 HA LYS 46 -13.334 11.752 -14.227 355 HB2 LYS 46 2HB LYS 46 -12.466 9.371 -12.543 356 HB3 LYS 46 3HB LYS 46 -14.130 9.947 -12.688 357 HG2 LYS 46 2HG LYS 46 -14.102 9.505 -15.109 358 HG3 LYS 46 3HG LYS 46 -12.468 8.821 -14.973 359 HD2 LYS 46 2HD LYS 46 -14.838 7.841 -13.329 360 HD3 LYS 46 3HD LYS 46 -14.404 7.159 -14.913 361 HE2 LYS 46 2HE LYS 46 -12.113 6.640 -14.030 362 HE3 LYS 46 3HE LYS 46 -12.610 7.218 -12.439 363 HZ1 LYS 46 3HZ LYS 46 -12.836 4.811 -12.607 364 HZ2 LYS 46 1HZ LYS 46 -14.322 5.465 -12.422 365 HZ3 LYS 46 2HZ LYS 46 -13.838 4.929 -13.888 366 HA PRO 47 HA PRO 47 -11.749 13.779 -10.314 367 HB2 PRO 47 2HB PRO 47 -11.924 16.450 -10.938 368 HB3 PRO 47 3HB PRO 47 -10.494 15.423 -11.244 369 HG2 PRO 47 2HG PRO 47 -12.736 16.121 -13.183 370 HG3 PRO 47 3HG PRO 47 -10.967 16.203 -13.470 371 HD2 PRO 47 2HD PRO 47 -12.438 14.075 -14.296 372 HD3 PRO 47 3HD PRO 47 -10.790 13.861 -13.632 373 H GLN 48 H GLN 48 -14.626 13.942 -12.172 374 HA GLN 48 HA GLN 48 -16.398 15.315 -10.409 375 HB2 GLN 48 2HB GLN 48 -16.806 14.630 -12.785 376 HB3 GLN 48 3HB GLN 48 -16.946 12.947 -12.251 377 HG2 GLN 48 2HG GLN 48 -18.913 13.544 -10.868 378 HG3 GLN 48 3HG GLN 48 -18.712 15.247 -11.292 379 HE21 GLN 48 2HE2 GLN 48 -21.150 14.561 -11.828 380 HE22 GLN 48 1HE2 GLN 48 -21.391 14.128 -13.516 381 H LEU 49 H LEU 49 -14.966 12.040 -10.188 382 HA LEU 49 HA LEU 49 -16.583 10.958 -8.083 383 HB2 LEU 49 2HB LEU 49 -13.624 10.802 -8.813 384 HB3 LEU 49 3HB LEU 49 -14.279 9.892 -7.477 385 HG LEU 49 HG LEU 49 -15.331 9.543 -10.308 386 HD11 LEU 49 1HD1 LEU 49 -13.152 8.106 -8.735 387 HD12 LEU 49 2HD1 LEU 49 -13.857 7.508 -10.265 388 HD13 LEU 49 3HD1 LEU 49 -12.954 9.039 -10.222 389 HD21 LEU 49 3HD2 LEU 49 -16.840 8.780 -8.498 390 HD22 LEU 49 1HD2 LEU 49 -16.117 7.383 -9.312 391 HD23 LEU 49 2HD2 LEU 49 -15.501 7.912 -7.725 392 H GLY 50 H GLY 50 -14.007 13.404 -7.996 393 HA2 GLY 50 2HA GLY 50 -12.816 14.348 -6.241 394 HA3 GLY 50 3HA GLY 50 -13.962 13.670 -5.081 395 H MET 51 H MET 51 -12.181 13.040 -3.867 396 HA MET 51 HA MET 51 -9.981 11.491 -4.631 397 HB2 MET 51 2HB MET 51 -11.032 11.818 -1.823 398 HB3 MET 51 3HB MET 51 -9.368 11.600 -2.332 399 HG2 MET 51 2HG MET 51 -11.094 14.079 -2.843 400 HG3 MET 51 3HG MET 51 -9.931 13.908 -1.541 401 HE1 MET 51 3HE MET 51 -6.542 14.104 -3.490 402 HE2 MET 51 1HE MET 51 -7.304 14.038 -1.878 403 HE3 MET 51 2HE MET 51 -7.454 12.657 -2.998 404 H ILE 52 H ILE 52 -9.766 9.374 -4.926 405 HA ILE 52 HA ILE 52 -11.608 7.492 -3.560 406 HB ILE 52 HB ILE 52 -11.331 6.004 -5.618 407 HG12 ILE 52 2HG1 ILE 52 -11.145 7.143 -7.798 408 HG13 ILE 52 3HG1 ILE 52 -10.622 8.630 -7.016 409 HG21 ILE 52 1HG2 ILE 52 -12.955 8.547 -5.912 410 HG22 ILE 52 2HG2 ILE 52 -13.260 6.968 -6.680 411 HG23 ILE 52 3HG2 ILE 52 -13.400 7.132 -4.926 412 HD11 ILE 52 3HD1 ILE 52 -9.159 5.964 -6.830 413 HD12 ILE 52 1HD1 ILE 52 -8.773 7.250 -8.006 414 HD13 ILE 52 2HD1 ILE 52 -8.545 7.534 -6.286 415 H ASP 53 H ASP 53 -10.778 5.253 -3.463 416 HA ASP 53 HA ASP 53 -7.973 5.298 -2.462 417 HB2 ASP 53 2HB ASP 53 -10.319 3.495 -1.765 418 HB3 ASP 53 3HB ASP 53 -8.687 3.358 -1.113 419 H ARG 54 H ARG 54 -6.873 4.881 -4.291 420 HA ARG 54 HA ARG 54 -7.476 2.658 -6.121 421 HB2 ARG 54 2HB ARG 54 -6.089 5.071 -6.333 422 HB3 ARG 54 3HB ARG 54 -4.773 3.938 -6.182 423 HG2 ARG 54 2HG ARG 54 -5.159 4.268 -8.479 424 HG3 ARG 54 3HG ARG 54 -5.714 2.631 -8.117 425 HD2 ARG 54 2HD ARG 54 -8.010 3.264 -8.357 426 HD3 ARG 54 3HD ARG 54 -7.651 4.947 -7.966 427 HE ARG 54 HE ARG 54 -6.401 4.227 -10.455 428 HH11 ARG 54 1HH2 ARG 54 -9.584 5.088 -9.188 429 HH12 ARG 54 2HH2 ARG 54 -9.894 6.110 -10.597 430 HH21 ARG 54 1HH1 ARG 54 -7.064 5.485 -12.254 431 HH22 ARG 54 2HH1 ARG 54 -8.638 6.271 -12.155 432 H TRP 55 H TRP 55 -7.172 0.590 -5.336 433 HA TRP 55 HA TRP 55 -5.106 0.006 -3.362 434 HB2 TRP 55 2HB TRP 55 -7.118 -1.807 -4.714 435 HB3 TRP 55 3HB TRP 55 -6.005 -2.301 -3.449 436 HD1 TRP 55 HD1 TRP 55 -9.308 -0.596 -3.953 437 HE1 TRP 55 HE1 TRP 55 -10.358 0.051 -1.713 438 HE3 TRP 55 HE3 TRP 55 -5.329 -1.592 -0.855 439 HZ2 TRP 55 HZ2 TRP 55 -9.555 0.239 1.045 440 HZ3 TRP 55 HZ3 TRP 55 -5.475 -1.050 1.556 441 HH2 TRP 55 HH2 TRP 55 -7.577 -0.138 2.520 442 H TYR 56 H TYR 56 -3.462 -1.468 -3.482 443 HA TYR 56 HA TYR 56 -2.372 -2.459 -6.047 444 HB2 TYR 56 2HB TYR 56 -0.931 -0.730 -3.986 445 HB3 TYR 56 3HB TYR 56 -0.192 -1.459 -5.405 446 HD1 TYR 56 HD1 TYR 56 -0.954 -0.745 -7.688 447 HD2 TYR 56 HD2 TYR 56 -2.028 1.417 -4.141 448 HE1 TYR 56 HE1 TYR 56 -1.578 1.229 -9.096 449 HE2 TYR 56 HE2 TYR 56 -2.657 3.383 -5.534 450 HH TYR 56 HH TYR 56 -2.441 3.338 -9.112 451 H HIS 57 H HIS 57 -0.789 -4.070 -5.790 452 HA HIS 57 HA HIS 57 -0.792 -5.769 -3.408 453 HB2 HIS 57 2HB HIS 57 0.960 -5.819 -5.867 454 HB3 HIS 57 3HB HIS 57 1.112 -6.965 -4.569 455 HD2 HIS 57 HD2 HIS 57 -1.279 -8.397 -3.960 456 HE1 HIS 57 HE1 HIS 57 -2.512 -8.457 -8.029 457 HE2 HIS 57 HE2 HIS 57 -2.805 -9.557 -5.774 458 HA PRO 58 HA PRO 58 2.839 -4.095 -1.236 459 HB2 PRO 58 2HB PRO 58 3.765 -6.957 -1.082 460 HB3 PRO 58 3HB PRO 58 3.686 -5.722 0.216 461 HG2 PRO 58 2HG PRO 58 1.767 -7.609 0.075 462 HG3 PRO 58 3HG PRO 58 1.295 -5.892 0.323 463 HD2 PRO 58 2HD PRO 58 1.328 -7.463 -2.269 464 HD3 PRO 58 3HD PRO 58 0.026 -6.446 -1.585 465 H GLY 59 H GLY 59 3.435 -6.252 -3.962 466 HA2 GLY 59 2HA GLY 59 6.208 -5.289 -4.365 467 HA3 GLY 59 3HA GLY 59 5.269 -6.328 -5.445 468 H CYS 60 HN CYS 60 3.000 -4.876 -5.943 469 HA CYS 60 HA CYS 60 3.954 -3.249 -7.976 470 HB2 CYS 60 2HB CYS 60 1.123 -3.483 -6.925 471 HB3 CYS 60 3HB CYS 60 1.601 -2.931 -8.535 472 H PHE 61 H PHE 61 2.473 -2.241 -4.859 473 HA PHE 61 HA PHE 61 2.181 0.496 -5.614 474 HB2 PHE 61 2HB PHE 61 1.493 0.853 -3.522 475 HB3 PHE 61 3HB PHE 61 1.416 -0.902 -3.465 476 HD1 PHE 61 HD1 PHE 61 3.277 -2.185 -2.419 477 HD2 PHE 61 HD2 PHE 61 3.122 2.093 -2.243 478 HE1 PHE 61 HE1 PHE 61 4.751 -2.231 -0.394 479 HE2 PHE 61 HE2 PHE 61 4.598 2.071 -0.220 480 HZ PHE 61 HZ PHE 61 5.394 -0.094 0.711 481 H VAL 62 H VAL 62 5.014 -1.267 -4.353 482 HA VAL 62 HA VAL 62 6.784 1.023 -4.351 483 HB VAL 62 HB VAL 62 7.575 -1.889 -4.637 484 HG11 VAL 62 1HG1 VAL 62 9.121 0.571 -3.704 485 HG12 VAL 62 2HG1 VAL 62 9.709 -1.104 -3.651 486 HG13 VAL 62 3HG1 VAL 62 9.403 -0.336 -5.207 487 HG21 VAL 62 3HG2 VAL 62 8.005 -1.645 -2.132 488 HG22 VAL 62 1HG2 VAL 62 7.047 -0.155 -2.189 489 HG23 VAL 62 2HG2 VAL 62 6.315 -1.717 -2.612 490 H LYS 63 H LYS 63 5.986 -1.409 -6.820 491 HA LYS 63 HA LYS 63 7.844 -0.600 -8.809 492 HB2 LYS 63 2HB LYS 63 6.541 -2.728 -8.648 493 HB3 LYS 63 3HB LYS 63 5.090 -1.816 -9.076 494 HG2 LYS 63 2HG LYS 63 5.863 -1.449 -11.328 495 HG3 LYS 63 3HG LYS 63 7.458 -2.121 -10.932 496 HD2 LYS 63 2HD LYS 63 6.105 -3.803 -12.118 497 HD3 LYS 63 3HD LYS 63 6.455 -4.311 -10.466 498 HE2 LYS 63 2HE LYS 63 4.075 -3.172 -9.971 499 HE3 LYS 63 3HE LYS 63 3.818 -3.427 -11.688 500 HZ1 LYS 63 3HZ LYS 63 4.021 -5.772 -11.346 501 HZ2 LYS 63 1HZ LYS 63 4.687 -5.602 -9.858 502 HZ3 LYS 63 2HZ LYS 63 3.127 -5.251 -10.053 503 H ASN 64 H ASN 64 4.905 0.985 -7.841 504 HA ASN 64 HA ASN 64 5.402 3.084 -9.888 505 HB2 ASN 64 2HB ASN 64 2.755 3.491 -9.404 506 HB3 ASN 64 3HB ASN 64 3.465 2.721 -10.793 507 HD21 ASN 64 1HD2 ASN 64 1.817 2.034 -7.676 508 HD22 ASN 64 2HD2 ASN 64 1.254 0.468 -8.262 509 H ARG 65 H ARG 65 6.365 2.730 -6.932 510 HA ARG 65 HA ARG 65 5.092 4.732 -5.459 511 HB2 ARG 65 2HB ARG 65 6.637 4.492 -3.879 512 HB3 ARG 65 3HB ARG 65 6.985 3.050 -4.762 513 HG2 ARG 65 2HG ARG 65 8.549 5.656 -5.092 514 HG3 ARG 65 3HG ARG 65 8.965 4.388 -3.937 515 HD2 ARG 65 2HD ARG 65 9.291 2.769 -5.680 516 HD3 ARG 65 3HD ARG 65 8.690 3.897 -6.902 517 HE ARG 65 HE ARG 65 11.085 4.691 -5.334 518 HH11 ARG 65 1HH2 ARG 65 9.883 3.645 -8.473 519 HH12 ARG 65 2HH2 ARG 65 11.471 3.691 -9.180 520 HH21 ARG 65 1HH1 ARG 65 13.047 4.876 -6.367 521 HH22 ARG 65 2HH1 ARG 65 13.189 4.442 -8.043 522 H GLU 66 H GLU 66 7.454 5.214 -8.021 523 HA GLU 66 HA GLU 66 7.821 8.041 -7.543 524 HB2 GLU 66 2HB GLU 66 8.859 8.116 -9.692 525 HB3 GLU 66 3HB GLU 66 9.473 6.742 -8.797 526 HG2 GLU 66 2HG GLU 66 7.235 6.322 -10.820 527 HG3 GLU 66 3HG GLU 66 8.869 6.619 -11.369 528 H GLU 67 H GLU 67 5.313 6.199 -9.143 529 HA GLU 67 HA GLU 67 4.096 8.541 -10.435 530 HB2 GLU 67 2HB GLU 67 4.108 6.312 -11.512 531 HB3 GLU 67 3HB GLU 67 3.074 5.697 -10.217 532 HG2 GLU 67 2HG GLU 67 1.293 7.256 -10.837 533 HG3 GLU 67 3HG GLU 67 2.344 8.039 -12.021 534 H LEU 68 H LEU 68 3.600 6.422 -7.626 535 HA LEU 68 HA LEU 68 1.269 7.836 -6.610 536 HB2 LEU 68 2HB LEU 68 3.153 5.850 -5.294 537 HB3 LEU 68 3HB LEU 68 1.615 6.383 -4.628 538 HG LEU 68 HG LEU 68 1.998 4.766 -7.190 539 HD11 LEU 68 1HD1 LEU 68 0.832 4.022 -4.484 540 HD12 LEU 68 2HD1 LEU 68 0.865 2.985 -5.922 541 HD13 LEU 68 3HD1 LEU 68 2.387 3.472 -5.154 542 HD21 LEU 68 3HD2 LEU 68 0.058 6.204 -7.475 543 HD22 LEU 68 1HD2 LEU 68 -0.438 4.544 -7.194 544 HD23 LEU 68 2HD2 LEU 68 -0.560 5.726 -5.877 545 H GLY 69 H GLY 69 4.611 8.629 -6.497 546 HA2 GLY 69 2HA GLY 69 5.305 10.806 -5.997 547 HA3 GLY 69 3HA GLY 69 3.850 11.085 -5.042 548 H PHE 70 H PHE 70 5.804 8.232 -4.404 549 HA PHE 70 HA PHE 70 6.285 8.962 -1.650 550 HB2 PHE 70 2HB PHE 70 7.255 6.746 -3.458 551 HB3 PHE 70 3HB PHE 70 7.885 6.933 -1.840 552 HD1 PHE 70 HD2 PHE 70 4.752 6.217 -3.743 553 HD2 PHE 70 HD1 PHE 70 6.703 6.261 0.075 554 HE1 PHE 70 HE2 PHE 70 2.932 4.804 -2.799 555 HE2 PHE 70 HE1 PHE 70 4.929 4.822 1.029 556 HZ PHE 70 HZ PHE 70 3.027 4.089 -0.425 557 H ARG 71 H ARG 71 8.027 9.656 -0.633 558 HA ARG 71 HA ARG 71 10.677 9.994 -1.933 559 HB2 ARG 71 2HB ARG 71 9.173 12.046 -0.244 560 HB3 ARG 71 3HB ARG 71 10.899 12.126 -0.506 561 HG2 ARG 71 2HG ARG 71 10.648 12.455 -2.882 562 HG3 ARG 71 3HG ARG 71 8.914 12.111 -2.814 563 HD2 ARG 71 2HD ARG 71 9.300 14.526 -2.983 564 HD3 ARG 71 3HD ARG 71 8.479 14.070 -1.496 565 HE ARG 71 HE ARG 71 10.303 14.756 -0.209 566 HH11 ARG 71 1HH2 ARG 71 11.368 14.926 -3.561 567 HH12 ARG 71 2HH2 ARG 71 12.820 15.776 -3.103 568 HH21 ARG 71 1HH1 ARG 71 12.017 15.732 0.269 569 HH22 ARG 71 2HH1 ARG 71 13.208 16.252 -0.930 570 HA PRO 72 HA PRO 72 12.088 7.753 1.563 571 HB2 PRO 72 2HB PRO 72 14.436 8.989 2.348 572 HB3 PRO 72 3HB PRO 72 14.248 7.957 0.904 573 HG2 PRO 72 2HG PRO 72 14.093 10.985 1.052 574 HG3 PRO 72 3HG PRO 72 15.047 9.978 -0.088 575 HD2 PRO 72 2HD PRO 72 12.672 10.972 -0.841 576 HD3 PRO 72 3HD PRO 72 13.079 9.282 -1.249 577 H GLU 73 H GLU 73 11.637 11.224 2.141 578 HA GLU 73 HA GLU 73 11.596 11.058 5.020 579 HB2 GLU 73 2HB GLU 73 10.692 13.289 4.942 580 HB3 GLU 73 3HB GLU 73 11.987 13.134 3.754 581 HG2 GLU 73 2HG GLU 73 10.186 12.763 1.980 582 HG3 GLU 73 3HG GLU 73 8.988 13.170 3.209 583 H TYR 74 H TYR 74 9.298 9.941 2.704 584 HA TYR 74 HA TYR 74 7.563 9.074 4.849 585 HB2 TYR 74 2HB TYR 74 5.464 9.869 3.638 586 HB3 TYR 74 3HB TYR 74 6.353 10.942 4.679 587 HD1 TYR 74 HD2 TYR 74 6.913 10.130 1.021 588 HD2 TYR 74 HD1 TYR 74 5.910 13.087 3.993 589 HE1 TYR 74 HE2 TYR 74 6.774 11.880 -0.755 590 HE2 TYR 74 HE1 TYR 74 5.797 14.829 2.229 591 HH TYR 74 HH TYR 74 5.947 15.285 -0.005 592 H SER 75 H SER 75 9.004 7.346 3.877 593 HA SER 75 HA SER 75 7.973 5.831 1.622 594 HB2 SER 75 2HB SER 75 9.919 5.173 3.831 595 HB3 SER 75 3HB SER 75 9.554 4.127 2.444 596 HG SER 75 HG SER 75 11.358 5.371 1.972 597 H ALA 76 H ALA 76 7.990 3.182 2.826 598 HA ALA 76 HA ALA 76 5.274 2.801 3.195 599 HB1 ALA 76 1HB ALA 76 7.624 1.118 4.143 600 HB2 ALA 76 2HB ALA 76 6.838 1.041 2.555 601 HB3 ALA 76 3HB ALA 76 5.954 0.560 4.011 602 H SER 77 H SER 77 7.538 3.712 5.774 603 HA SER 77 HA SER 77 5.895 2.836 7.968 604 HB2 SER 77 2HB SER 77 8.014 5.012 7.947 605 HB3 SER 77 3HB SER 77 7.383 4.149 9.361 606 HG SER 77 HG SER 77 9.390 3.300 8.622 607 H GLN 78 H GLN 78 5.513 5.472 5.775 608 HA GLN 78 HA GLN 78 3.750 6.936 7.597 609 HB2 GLN 78 2HB GLN 78 5.283 7.798 5.118 610 HB3 GLN 78 3HB GLN 78 4.095 8.789 5.946 611 HG2 GLN 78 2HG GLN 78 6.103 9.565 6.836 612 HG3 GLN 78 3HG GLN 78 5.442 8.527 8.086 613 HE21 GLN 78 2HE2 GLN 78 7.721 8.633 8.913 614 HE22 GLN 78 1HE2 GLN 78 8.890 7.524 8.212 615 H LEU 79 H LEU 79 3.072 4.432 6.139 616 HA LEU 79 HA LEU 79 0.710 5.325 4.564 617 HB2 LEU 79 2HB LEU 79 1.836 2.596 5.337 618 HB3 LEU 79 3HB LEU 79 0.300 2.798 4.516 619 HG LEU 79 HG LEU 79 2.808 3.901 3.224 620 HD11 LEU 79 1HD1 LEU 79 3.238 1.813 2.089 621 HD12 LEU 79 2HD1 LEU 79 3.303 1.490 3.825 622 HD13 LEU 79 3HD1 LEU 79 1.890 1.014 2.899 623 HD21 LEU 79 3HD2 LEU 79 0.426 4.237 2.368 624 HD22 LEU 79 1HD2 LEU 79 1.580 3.563 1.208 625 HD23 LEU 79 2HD2 LEU 79 0.389 2.515 2.002 626 H LYS 80 H LYS 80 -1.296 5.441 5.443 627 HA LYS 80 HA LYS 80 -1.806 5.410 8.229 628 HB2 LYS 80 2HB LYS 80 -3.850 4.803 6.047 629 HB3 LYS 80 3HB LYS 80 -4.199 5.270 7.709 630 HG2 LYS 80 2HG LYS 80 -2.953 7.412 7.300 631 HG3 LYS 80 3HG LYS 80 -2.869 6.969 5.579 632 HD2 LYS 80 2HD LYS 80 -5.400 7.409 7.237 633 HD3 LYS 80 3HD LYS 80 -4.706 8.560 6.088 634 HE2 LYS 80 2HE LYS 80 -5.070 6.952 4.236 635 HE3 LYS 80 3HE LYS 80 -5.762 5.788 5.377 636 HZ1 LYS 80 3HZ LYS 80 -6.900 8.475 4.808 637 HZ2 LYS 80 1HZ LYS 80 -7.501 7.059 4.256 638 HZ3 LYS 80 2HZ LYS 80 -7.530 7.390 5.853 639 H GLY 81 H GLY 81 -2.308 3.915 9.698 640 HA2 GLY 81 2HA GLY 81 -2.825 1.892 10.677 641 HA3 GLY 81 3HA GLY 81 -3.426 1.318 9.119 642 H PHE 82 H PHE 82 -0.145 2.238 8.702 643 HA PHE 82 HA PHE 82 0.802 -0.381 8.171 644 HB2 PHE 82 2HB PHE 82 1.937 1.449 7.214 645 HB3 PHE 82 3HB PHE 82 2.066 2.307 8.742 646 HD1 PHE 82 HD2 PHE 82 3.765 1.829 10.374 647 HD2 PHE 82 HD1 PHE 82 3.638 -0.274 6.612 648 HE1 PHE 82 HE2 PHE 82 6.085 1.012 10.752 649 HE2 PHE 82 HE1 PHE 82 5.966 -1.051 6.979 650 HZ PHE 82 HZ PHE 82 7.173 -0.444 9.052 651 H SER 83 H SER 83 0.986 1.606 11.123 652 HA SER 83 HA SER 83 2.731 -0.052 12.611 653 HB2 SER 83 2HB SER 83 1.891 1.309 14.528 654 HB3 SER 83 3HB SER 83 2.346 2.278 13.107 655 HG SER 83 HG SER 83 0.321 2.910 14.031 656 H LEU 84 H LEU 84 -0.664 -0.479 11.949 657 HA LEU 84 HA LEU 84 -1.130 -2.305 14.223 658 HB2 LEU 84 2HB LEU 84 -2.860 -0.983 12.121 659 HB3 LEU 84 3HB LEU 84 -3.433 -2.421 12.940 660 HG LEU 84 HG LEU 84 -3.206 -1.350 15.135 661 HD11 LEU 84 1HD1 LEU 84 -2.480 1.160 13.563 662 HD12 LEU 84 2HD1 LEU 84 -2.955 1.124 15.280 663 HD13 LEU 84 3HD1 LEU 84 -1.471 0.327 14.766 664 HD21 LEU 84 3HD2 LEU 84 -4.830 0.270 13.128 665 HD22 LEU 84 1HD2 LEU 84 -5.328 -1.268 13.868 666 HD23 LEU 84 2HD2 LEU 84 -5.119 0.165 14.883 667 H LEU 85 H LEU 85 0.177 -2.706 11.107 668 HA LEU 85 HA LEU 85 -0.789 -5.428 10.601 669 HB2 LEU 85 2HB LEU 85 1.470 -3.714 9.543 670 HB3 LEU 85 3HB LEU 85 1.448 -5.432 9.226 671 HG LEU 85 HG LEU 85 -0.679 -5.286 8.054 672 HD11 LEU 85 1HD1 LEU 85 -0.496 -2.302 8.608 673 HD12 LEU 85 2HD1 LEU 85 -1.560 -3.030 7.395 674 HD13 LEU 85 3HD1 LEU 85 -1.801 -3.399 9.108 675 HD21 LEU 85 3HD2 LEU 85 0.145 -4.031 6.102 676 HD22 LEU 85 1HD2 LEU 85 1.351 -3.210 7.115 677 HD23 LEU 85 2HD2 LEU 85 1.458 -4.960 6.839 678 H ALA 86 H ALA 86 0.802 -7.283 10.593 679 HA ALA 86 HA ALA 86 2.028 -7.713 13.180 680 HB1 ALA 86 1HB ALA 86 1.033 -9.516 11.780 681 HB2 ALA 86 2HB ALA 86 2.299 -9.253 10.563 682 HB3 ALA 86 3HB ALA 86 2.733 -9.843 12.182 683 H THR 87 H THR 87 4.248 -7.831 13.701 684 HA THR 87 HA THR 87 5.930 -5.831 12.739 685 HB THR 87 HB THR 87 6.859 -8.421 14.014 686 HG1 THR 87 1HG THR 87 6.405 -7.387 15.967 687 HG21 THR 87 1HG2 THR 87 8.535 -6.940 15.122 688 HG22 THR 87 2HG2 THR 87 8.717 -6.922 13.364 689 HG23 THR 87 3HG2 THR 87 7.923 -5.558 14.182 690 H GLU 88 H GLU 88 5.880 -9.267 11.719 691 HA GLU 88 HA GLU 88 8.185 -9.106 10.026 692 HB2 GLU 88 2HB GLU 88 7.450 -11.216 9.110 693 HB3 GLU 88 3HB GLU 88 7.307 -11.211 10.866 694 HG2 GLU 88 2HG GLU 88 4.838 -10.771 10.626 695 HG3 GLU 88 3HG GLU 88 5.017 -10.896 8.874 696 H ASP 89 H ASP 89 4.806 -8.189 9.406 697 HA ASP 89 HA ASP 89 5.271 -7.829 6.514 698 HB2 ASP 89 2HB ASP 89 2.949 -7.093 8.327 699 HB3 ASP 89 3HB ASP 89 3.012 -6.762 6.601 700 H LYS 90 H LYS 90 5.093 -5.778 9.431 701 HA LYS 90 HA LYS 90 5.425 -3.228 8.151 702 HB2 LYS 90 2HB LYS 90 6.133 -4.274 10.924 703 HB3 LYS 90 3HB LYS 90 6.356 -2.580 10.461 704 HG2 LYS 90 2HG LYS 90 4.073 -2.205 10.126 705 HG3 LYS 90 3HG LYS 90 3.683 -3.921 10.030 706 HD2 LYS 90 2HD LYS 90 2.848 -3.009 12.089 707 HD3 LYS 90 3HD LYS 90 4.083 -4.232 12.403 708 HE2 LYS 90 2HE LYS 90 5.736 -2.460 12.879 709 HE3 LYS 90 3HE LYS 90 4.539 -1.221 12.479 710 HZ1 LYS 90 3HZ LYS 90 4.627 -1.586 14.884 711 HZ2 LYS 90 1HZ LYS 90 3.159 -2.079 14.336 712 HZ3 LYS 90 2HZ LYS 90 4.308 -3.177 14.713 713 H GLU 91 H GLU 91 7.865 -5.519 9.402 714 HA GLU 91 HA GLU 91 10.142 -3.994 8.473 715 HB2 GLU 91 2HB GLU 91 9.781 -6.941 9.140 716 HB3 GLU 91 3HB GLU 91 11.336 -6.216 8.731 717 HG2 GLU 91 2HG GLU 91 9.601 -5.291 11.058 718 HG3 GLU 91 3HG GLU 91 10.891 -6.479 11.194 719 H ALA 92 H ALA 92 8.225 -6.629 6.911 720 HA ALA 92 HA ALA 92 9.885 -6.806 4.596 721 HB1 ALA 92 1HB ALA 92 6.924 -7.391 4.911 722 HB2 ALA 92 2HB ALA 92 7.959 -7.919 3.566 723 HB3 ALA 92 3HB ALA 92 8.270 -8.522 5.205 724 H LEU 93 H LEU 93 7.034 -4.685 5.189 725 HA LEU 93 HA LEU 93 7.014 -3.481 2.575 726 HB2 LEU 93 2HB LEU 93 6.067 -2.569 5.314 727 HB3 LEU 93 3HB LEU 93 5.829 -1.607 3.860 728 HG LEU 93 HG LEU 93 4.706 -4.414 4.192 729 HD11 LEU 93 1HD1 LEU 93 3.391 -1.679 4.520 730 HD12 LEU 93 2HD1 LEU 93 2.562 -3.247 4.585 731 HD13 LEU 93 3HD1 LEU 93 3.746 -2.833 5.828 732 HD21 LEU 93 3HD2 LEU 93 3.271 -3.752 2.294 733 HD22 LEU 93 1HD2 LEU 93 4.137 -2.206 2.166 734 HD23 LEU 93 2HD2 LEU 93 4.974 -3.740 1.833 735 H LYS 94 H LYS 94 8.700 -2.533 5.606 736 HA LYS 94 HA LYS 94 10.050 -0.225 4.524 737 HB2 LYS 94 2HB LYS 94 10.675 -2.140 6.808 738 HB3 LYS 94 3HB LYS 94 11.710 -0.766 6.407 739 HG2 LYS 94 2HG LYS 94 10.022 0.830 6.932 740 HG3 LYS 94 3HG LYS 94 8.748 -0.393 6.975 741 HD2 LYS 94 2HD LYS 94 9.365 0.309 9.243 742 HD3 LYS 94 3HD LYS 94 9.692 -1.408 8.978 743 HE2 LYS 94 2HE LYS 94 12.115 -0.803 8.553 744 HE3 LYS 94 3HE LYS 94 11.726 0.865 9.006 745 HZ1 LYS 94 3HZ LYS 94 11.010 -0.027 11.194 746 HZ2 LYS 94 1HZ LYS 94 11.425 -1.548 10.727 747 HZ3 LYS 94 2HZ LYS 94 12.577 -0.402 10.902 748 H LYS 95 H LYS 95 10.976 -3.673 4.657 749 HA LYS 95 HA LYS 95 13.534 -3.292 3.485 750 HB2 LYS 95 2HB LYS 95 11.764 -5.724 3.770 751 HB3 LYS 95 3HB LYS 95 13.272 -5.818 2.856 752 HG2 LYS 95 2HG LYS 95 14.552 -4.956 4.775 753 HG3 LYS 95 3HG LYS 95 13.093 -4.885 5.755 754 HD2 LYS 95 2HD LYS 95 14.307 -7.409 4.543 755 HD3 LYS 95 3HD LYS 95 14.493 -6.873 6.218 756 HE2 LYS 95 2HE LYS 95 12.012 -7.017 6.518 757 HE3 LYS 95 3HE LYS 95 11.870 -7.650 4.871 758 HZ1 LYS 95 3HZ LYS 95 13.392 -8.960 7.065 759 HZ2 LYS 95 1HZ LYS 95 11.941 -9.454 6.500 760 HZ3 LYS 95 2HZ LYS 95 13.260 -9.537 5.543 761 H GLN 96 H GLN 96 10.486 -3.239 1.891 762 HA GLN 96 HA GLN 96 11.746 -3.481 -0.802 763 HB2 GLN 96 2HB GLN 96 8.837 -3.259 0.057 764 HB3 GLN 96 3HB GLN 96 9.394 -3.339 -1.615 765 HG2 GLN 96 2HG GLN 96 9.864 -5.530 0.449 766 HG3 GLN 96 3HG GLN 96 8.556 -5.513 -0.721 767 HE21 GLN 96 2HE2 GLN 96 10.211 -7.701 -0.712 768 HE22 GLN 96 1HE2 GLN 96 11.235 -7.654 -2.140 769 H LEU 97 H LEU 97 10.106 -1.114 1.321 770 HA LEU 97 HA LEU 97 11.324 1.073 -0.261 771 HB2 LEU 97 2HB LEU 97 9.092 0.654 -1.171 772 HB3 LEU 97 3HB LEU 97 8.366 0.856 0.419 773 HG LEU 97 HG LEU 97 8.951 3.231 0.438 774 HD11 LEU 97 1HD1 LEU 97 11.098 3.248 -0.724 775 HD12 LEU 97 2HD1 LEU 97 10.327 2.684 -2.226 776 HD13 LEU 97 3HD1 LEU 97 9.970 4.303 -1.572 777 HD21 LEU 97 3HD2 LEU 97 7.768 2.357 -2.227 778 HD22 LEU 97 1HD2 LEU 97 6.891 2.544 -0.694 779 HD23 LEU 97 2HD2 LEU 97 7.597 3.962 -1.487 780 HA PRO 98 HA PRO 98 11.704 1.854 4.238 781 HB2 PRO 98 2HB PRO 98 14.446 2.116 4.393 782 HB3 PRO 98 3HB PRO 98 13.559 0.575 4.483 783 HG2 PRO 98 2HG PRO 98 15.209 1.630 2.250 784 HG3 PRO 98 3HG PRO 98 14.691 -0.050 2.598 785 HD2 PRO 98 2HD PRO 98 13.547 1.832 0.715 786 HD3 PRO 98 3HD PRO 98 13.077 0.141 1.037 787 H GLY 99 H GLY 99 12.047 3.857 5.402 788 HA2 GLY 99 2HA GLY 99 12.516 6.278 3.757 789 HA3 GLY 99 3HA GLY 99 11.708 6.196 5.314 790 H VAL 100 H VAL 100 13.136 8.045 5.566 791 HA VAL 100 HA VAL 100 15.985 7.761 6.016 792 HB VAL 100 HB VAL 100 14.056 9.916 6.983 793 HG11 VAL 100 1HG1 VAL 100 17.111 9.902 6.923 794 HG12 VAL 100 2HG1 VAL 100 16.097 11.325 7.239 795 HG13 VAL 100 3HG1 VAL 100 16.075 9.981 8.374 796 HG21 VAL 100 3HG2 VAL 100 15.967 9.844 4.604 797 HG22 VAL 100 1HG2 VAL 100 14.192 9.831 4.535 798 HG23 VAL 100 2HG2 VAL 100 15.030 11.259 5.134 799 H LYS 101 H LYS 101 17.094 7.121 7.636 800 HA LYS 101 HA LYS 101 15.840 6.751 10.314 801 HB2 LYS 101 2HB LYS 101 16.202 4.665 8.626 802 HB3 LYS 101 3HB LYS 101 17.799 4.677 9.390 803 HG2 LYS 101 2HG LYS 101 16.629 4.654 11.639 804 HG3 LYS 101 3HG LYS 101 15.086 4.647 10.777 805 HD2 LYS 101 2HD LYS 101 15.552 2.403 11.513 806 HD3 LYS 101 3HD LYS 101 15.682 2.449 9.748 807 HE2 LYS 101 2HE LYS 101 18.162 2.587 9.941 808 HE3 LYS 101 3HE LYS 101 18.024 2.582 11.706 809 HZ1 LYS 101 3HZ LYS 101 17.037 0.356 11.554 810 HZ2 LYS 101 1HZ LYS 101 17.164 0.362 9.923 811 HZ3 LYS 101 2HZ LYS 101 18.507 0.358 10.848 812 H SER 102 H SER 102 17.992 8.677 9.077 813 HA SER 102 HA SER 102 20.437 8.278 10.412 814 HB2 SER 102 2HB SER 102 19.116 10.963 9.866 815 HB3 SER 102 3HB SER 102 20.852 10.628 9.997 816 HG SER 102 HG SER 102 20.701 9.387 8.088 817 H GLU 103 H GLU 103 17.449 9.781 11.661 818 HA GLU 103 HA GLU 103 18.581 10.430 14.276 819 HB2 GLU 103 2HB GLU 103 16.661 11.643 13.322 820 HB3 GLU 103 3HB GLU 103 15.700 10.153 13.336 821 HG2 GLU 103 2HG GLU 103 15.850 10.039 15.785 822 HG3 GLU 103 3HG GLU 103 16.929 11.434 15.816 823 H GLY 104 H GLY 104 16.649 7.682 13.009 824 HA2 GLY 104 2HA GLY 104 16.333 6.391 15.528 825 HA3 GLY 104 3HA GLY 104 16.185 5.624 13.936 826 H LYS 105 H LYS 105 19.009 6.392 13.280 827 HA LYS 105 HA LYS 105 20.535 4.338 14.821 828 HB2 LYS 105 2HB LYS 105 21.255 5.949 12.336 829 HB3 LYS 105 3HB LYS 105 22.307 4.774 13.130 830 HG2 LYS 105 2HG LYS 105 20.339 3.089 12.806 831 HG3 LYS 105 3HG LYS 105 19.750 4.243 11.601 832 HD2 LYS 105 2HD LYS 105 22.485 2.892 11.662 833 HD3 LYS 105 3HD LYS 105 21.150 2.453 10.595 834 HE2 LYS 105 2HE LYS 105 21.302 4.534 9.382 835 HE3 LYS 105 3HE LYS 105 22.404 5.229 10.582 836 HZ1 LYS 105 3HZ LYS 105 23.609 4.436 8.626 837 HZ2 LYS 105 1HZ LYS 105 24.086 3.655 9.968 838 HZ3 LYS 105 2HZ LYS 105 23.101 2.899 8.883 839 H ARG 106 H ARG 106 19.971 7.615 15.196 840 HA ARG 106 HA ARG 106 21.133 9.474 15.899 841 HB2 ARG 106 2HB ARG 106 22.401 7.424 17.763 842 HB3 ARG 106 3HB ARG 106 22.470 9.168 17.981 843 HG2 ARG 106 2HG ARG 106 19.906 7.514 18.004 844 HG3 ARG 106 3HG ARG 106 20.798 8.077 19.417 845 HD2 ARG 106 2HD ARG 106 20.486 10.451 18.570 846 HD3 ARG 106 3HD ARG 106 19.368 9.821 17.365 847 HE ARG 106 HE ARG 106 18.948 10.119 20.253 848 HH11 ARG 106 1HH2 ARG 106 17.632 8.535 17.396 849 HH12 ARG 106 2HH2 ARG 106 16.109 8.224 18.196 850 HH21 ARG 106 1HH1 ARG 106 16.983 9.713 21.159 851 HH22 ARG 106 2HH1 ARG 106 15.751 8.890 20.249 852 H LYS 107 H LYS 107 22.007 9.094 13.628 853 HA LYS 107 HA LYS 107 24.348 7.789 13.051 854 HB2 LYS 107 2HB LYS 107 22.647 8.360 11.449 855 HB3 LYS 107 3HB LYS 107 23.042 10.084 11.538 856 HG2 LYS 107 2HG LYS 107 25.100 9.794 10.403 857 HG3 LYS 107 3HG LYS 107 25.144 8.058 10.757 858 HD2 LYS 107 2HD LYS 107 23.337 7.621 9.188 859 HD3 LYS 107 3HD LYS 107 23.119 9.351 8.893 860 HE2 LYS 107 2HE LYS 107 24.357 8.144 7.086 861 HE3 LYS 107 3HE LYS 107 25.213 9.536 7.746 862 HZ1 LYS 107 3HZ LYS 107 26.557 7.413 7.440 863 HZ2 LYS 107 1HZ LYS 107 26.687 8.123 8.903 864 HZ3 LYS 107 2HZ LYS 107 25.770 6.794 8.751 865 H GLY 108 H GLY 108 24.417 10.942 14.504 866 HA2 GLY 108 2HA GLY 108 27.031 11.837 13.856 867 HA3 GLY 108 3HA GLY 108 26.242 11.978 15.445 868 H ASP 109 H ASP 109 26.010 9.131 15.911 869 HA ASP 109 HA ASP 109 28.597 8.526 17.048 870 HB2 ASP 109 2HB ASP 109 26.318 8.018 17.975 871 HB3 ASP 109 3HB ASP 109 26.105 6.823 16.697 872 H GLU 110 H GLU 110 27.368 7.942 13.875 873 HA GLU 110 HA GLU 110 29.275 5.747 13.401 874 HB2 GLU 110 2HB GLU 110 27.560 7.214 11.357 875 HB3 GLU 110 3HB GLU 110 28.450 5.707 11.125 876 HG2 GLU 110 2HG GLU 110 26.995 4.678 12.939 877 HG3 GLU 110 3HG GLU 110 25.995 6.134 12.864 878 H VAL 111 H VAL 111 29.523 9.041 13.707 879 HA VAL 111 HA VAL 111 31.929 9.229 11.959 880 HB VAL 111 HB VAL 111 30.269 11.683 12.494 881 HG11 VAL 111 1HG1 VAL 111 32.520 11.848 11.372 882 HG12 VAL 111 2HG1 VAL 111 31.935 10.767 10.095 883 HG13 VAL 111 3HG1 VAL 111 31.204 12.371 10.321 884 HG21 VAL 111 3HG2 VAL 111 29.667 9.693 10.266 885 HG22 VAL 111 1HG2 VAL 111 28.565 10.207 11.568 886 HG23 VAL 111 2HG2 VAL 111 29.067 11.366 10.342 887 H ASP 112 H ASP 112 31.605 8.521 14.806 888 HA ASP 112 HA ASP 112 32.890 10.723 16.308 889 HB2 ASP 112 2HB ASP 112 30.954 9.397 17.197 890 HB3 ASP 112 3HB ASP 112 31.995 7.977 17.239 Start of MODEL 25 1 H1 GLY 1 H1 GLY 1 -12.088 8.111 18.743 2 H2 GLY 1 H2 GLY 1 -12.990 9.471 18.888 3 H3 GLY 1 H3 GLY 1 -11.356 9.555 18.988 4 HA2 GLY 1 2HA GLY 1 -12.877 8.796 16.580 5 HA3 GLY 1 3HA GLY 1 -12.108 10.372 16.847 6 H SER 2 H SER 2 -11.631 8.372 14.722 7 HA SER 2 HA SER 2 -9.171 6.982 15.122 8 HB2 SER 2 2HB SER 2 -10.419 7.964 12.530 9 HB3 SER 2 3HB SER 2 -9.171 6.714 12.689 10 HG SER 2 HG SER 2 -11.288 5.820 12.515 11 H LYS 3 H LYS 3 -7.096 7.353 14.279 12 HA LYS 3 HA LYS 3 -6.304 10.165 13.627 13 HB2 LYS 3 2HB LYS 3 -5.022 8.274 15.649 14 HB3 LYS 3 3HB LYS 3 -4.241 9.729 15.052 15 HG2 LYS 3 2HG LYS 3 -6.842 9.675 16.642 16 HG3 LYS 3 3HG LYS 3 -5.230 10.030 17.260 17 HD2 LYS 3 2HD LYS 3 -5.143 11.950 15.516 18 HD3 LYS 3 3HD LYS 3 -6.868 11.668 15.286 19 HE2 LYS 3 2HE LYS 3 -6.608 13.479 16.822 20 HE3 LYS 3 3HE LYS 3 -7.252 12.099 17.718 21 HZ1 LYS 3 3HZ LYS 3 -5.071 11.715 18.637 22 HZ2 LYS 3 1HZ LYS 3 -4.354 12.785 17.637 23 HZ3 LYS 3 2HZ LYS 3 -5.362 13.310 18.826 24 H ALA 4 H ALA 4 -4.556 10.447 12.346 25 HA ALA 4 HA ALA 4 -2.917 8.186 11.447 26 HB1 ALA 4 1HB ALA 4 -4.484 9.927 9.472 27 HB2 ALA 4 2HB ALA 4 -3.306 8.669 9.043 28 HB3 ALA 4 3HB ALA 4 -4.824 8.218 9.833 29 H GLU 5 H GLU 5 -2.241 10.143 13.186 30 HA GLU 5 HA GLU 5 -1.018 12.474 12.050 31 HB2 GLU 5 2HB GLU 5 -0.801 10.983 14.678 32 HB3 GLU 5 3HB GLU 5 0.135 12.459 14.361 33 HG2 GLU 5 2HG GLU 5 -2.004 13.672 13.860 34 HG3 GLU 5 3HG GLU 5 -2.904 12.220 14.300 35 H LYS 6 H LYS 6 0.224 9.212 12.414 36 HA LYS 6 HA LYS 6 3.039 9.915 11.971 37 HB2 LYS 6 2HB LYS 6 2.224 7.948 13.273 38 HB3 LYS 6 3HB LYS 6 1.614 7.225 11.779 39 HG2 LYS 6 2HG LYS 6 3.905 7.142 10.857 40 HG3 LYS 6 3HG LYS 6 4.538 7.950 12.298 41 HD2 LYS 6 2HD LYS 6 3.178 5.218 12.238 42 HD3 LYS 6 3HD LYS 6 4.924 5.499 12.288 43 HE2 LYS 6 2HE LYS 6 4.658 6.703 14.466 44 HE3 LYS 6 3HE LYS 6 2.923 6.352 14.429 45 HZ1 LYS 6 3HZ LYS 6 3.496 3.969 14.395 46 HZ2 LYS 6 1HZ LYS 6 5.084 4.327 14.550 47 HZ3 LYS 6 2HZ LYS 6 4.047 4.702 15.755 48 H THR 7 H THR 7 0.303 9.204 9.933 49 HA THR 7 HA THR 7 1.713 8.421 7.555 50 HB THR 7 HB THR 7 -1.069 9.603 7.747 51 HG1 THR 7 1HG THR 7 -0.181 6.971 8.328 52 HG21 THR 7 1HG2 THR 7 -1.627 8.494 5.823 53 HG22 THR 7 2HG2 THR 7 0.040 8.834 5.435 54 HG23 THR 7 3HG2 THR 7 -0.364 7.247 6.007 55 H LEU 8 H LEU 8 2.096 9.618 5.616 56 HA LEU 8 HA LEU 8 2.291 12.525 5.858 57 HB2 LEU 8 2HB LEU 8 3.319 12.577 3.859 58 HB3 LEU 8 3HB LEU 8 3.716 10.950 4.378 59 HG LEU 8 HG LEU 8 1.551 11.741 2.357 60 HD11 LEU 8 1HD1 LEU 8 3.880 12.011 1.554 61 HD12 LEU 8 2HD1 LEU 8 4.185 10.302 1.936 62 HD13 LEU 8 3HD1 LEU 8 2.991 10.739 0.698 63 HD21 LEU 8 3HD2 LEU 8 1.436 9.301 1.883 64 HD22 LEU 8 1HD2 LEU 8 2.479 9.003 3.294 65 HD23 LEU 8 2HD2 LEU 8 0.865 9.675 3.500 66 H GLY 9 H GLY 9 -0.400 10.556 5.244 67 HA2 GLY 9 2HA GLY 9 -2.611 11.245 5.084 68 HA3 GLY 9 3HA GLY 9 -2.104 12.855 4.589 69 H ASP 10 H ASP 10 -0.875 10.027 2.778 70 HA ASP 10 HA ASP 10 -2.781 10.664 0.579 71 HB2 ASP 10 2HB ASP 10 -0.460 11.865 0.548 72 HB3 ASP 10 3HB ASP 10 0.163 10.276 0.074 73 H PHE 11 H PHE 11 -1.269 8.050 2.283 74 HA PHE 11 HA PHE 11 -2.483 6.146 0.430 75 HB2 PHE 11 2HB PHE 11 -0.172 4.905 0.304 76 HB3 PHE 11 3HB PHE 11 -0.639 6.119 -0.838 77 HD1 PHE 11 HD1 PHE 11 1.327 5.993 2.414 78 HD2 PHE 11 HD2 PHE 11 0.918 7.596 -1.572 79 HE1 PHE 11 HE1 PHE 11 3.626 6.890 2.535 80 HE2 PHE 11 HE2 PHE 11 3.184 8.578 -1.400 81 HZ PHE 11 HZ PHE 11 4.555 8.194 0.641 82 H ALA 12 H ALA 12 -2.833 4.078 1.265 83 HA ALA 12 HA ALA 12 -2.534 3.821 4.218 84 HB1 ALA 12 1HB ALA 12 -4.865 4.200 3.296 85 HB2 ALA 12 2HB ALA 12 -4.711 2.653 2.451 86 HB3 ALA 12 3HB ALA 12 -4.668 2.711 4.221 87 H ALA 13 H ALA 13 -2.524 1.704 5.182 88 HA ALA 13 HA ALA 13 -1.894 -0.615 3.440 89 HB1 ALA 13 1HB ALA 13 -0.302 0.172 5.933 90 HB2 ALA 13 2HB ALA 13 -0.030 -1.250 4.892 91 HB3 ALA 13 3HB ALA 13 0.248 0.384 4.261 92 H GLU 14 H GLU 14 -2.979 -2.440 4.067 93 HA GLU 14 HA GLU 14 -3.775 -3.086 6.764 94 HB2 GLU 14 2HB GLU 14 -6.224 -3.073 6.299 95 HB3 GLU 14 3HB GLU 14 -5.531 -1.466 6.412 96 HG2 GLU 14 2HG GLU 14 -5.556 -1.224 3.960 97 HG3 GLU 14 3HG GLU 14 -6.117 -2.894 3.790 98 H TYR 15 H TYR 15 -5.388 -5.136 6.507 99 HA TYR 15 HA TYR 15 -4.268 -6.843 4.327 100 HB2 TYR 15 2HB TYR 15 -5.789 -7.636 6.813 101 HB3 TYR 15 3HB TYR 15 -5.161 -8.730 5.586 102 HD1 TYR 15 HD2 TYR 15 -4.241 -6.390 8.308 103 HD2 TYR 15 HD1 TYR 15 -2.755 -9.210 5.406 104 HE1 TYR 15 HE2 TYR 15 -2.080 -6.519 9.531 105 HE2 TYR 15 HE1 TYR 15 -0.554 -9.266 6.595 106 HH TYR 15 HH TYR 15 0.677 -8.453 8.303 107 H ALA 16 H ALA 16 -5.510 -7.881 2.828 108 HA ALA 16 HA ALA 16 -7.963 -6.585 2.060 109 HB1 ALA 16 1HB ALA 16 -6.560 -9.053 1.065 110 HB2 ALA 16 2HB ALA 16 -7.875 -8.218 0.205 111 HB3 ALA 16 3HB ALA 16 -6.309 -7.405 0.467 112 H LYS 17 H LYS 17 -9.910 -6.951 2.910 113 HA LYS 17 HA LYS 17 -10.482 -9.347 4.496 114 HB2 LYS 17 2HB LYS 17 -10.974 -6.946 5.123 115 HB3 LYS 17 3HB LYS 17 -12.267 -6.943 3.919 116 HG2 LYS 17 2HG LYS 17 -13.433 -8.740 5.143 117 HG3 LYS 17 3HG LYS 17 -12.099 -8.862 6.296 118 HD2 LYS 17 2HD LYS 17 -13.850 -6.396 5.877 119 HD3 LYS 17 3HD LYS 17 -14.098 -7.618 7.131 120 HE2 LYS 17 2HE LYS 17 -11.832 -7.126 8.055 121 HE3 LYS 17 3HE LYS 17 -11.623 -5.855 6.844 122 HZ1 LYS 17 3HZ LYS 17 -12.417 -4.943 8.947 123 HZ2 LYS 17 1HZ LYS 17 -13.557 -4.717 7.803 124 HZ3 LYS 17 2HZ LYS 17 -13.744 -5.890 8.926 125 H SER 18 H SER 18 -10.963 -8.627 1.233 126 HA SER 18 HA SER 18 -12.230 -11.219 0.827 127 HB2 SER 18 2HB SER 18 -13.678 -8.651 0.063 128 HB3 SER 18 3HB SER 18 -13.960 -10.180 -0.787 129 HG SER 18 HG SER 18 -14.100 -10.094 2.030 130 H ASN 19 H ASN 19 -12.052 -11.922 -1.411 131 HA ASN 19 HA ASN 19 -9.708 -10.962 -2.780 132 HB2 ASN 19 2HB ASN 19 -11.831 -12.926 -3.740 133 HB3 ASN 19 3HB ASN 19 -10.209 -12.741 -4.394 134 HD21 ASN 19 2HD2 ASN 19 -8.476 -13.886 -3.414 135 HD22 ASN 19 1HD2 ASN 19 -8.790 -14.930 -2.038 136 H ARG 20 H ARG 20 -12.393 -9.248 -2.679 137 HA ARG 20 HA ARG 20 -12.995 -8.819 -5.535 138 HB2 ARG 20 2HB ARG 20 -14.126 -7.515 -3.022 139 HB3 ARG 20 3HB ARG 20 -14.740 -7.293 -4.653 140 HG2 ARG 20 2HG ARG 20 -14.774 -9.876 -3.039 141 HG3 ARG 20 3HG ARG 20 -16.150 -8.853 -3.424 142 HD2 ARG 20 2HD ARG 20 -14.493 -10.458 -5.417 143 HD3 ARG 20 3HD ARG 20 -16.099 -10.876 -4.807 144 HE ARG 20 HE ARG 20 -16.371 -8.315 -5.908 145 HH11 ARG 20 1HH2 ARG 20 -15.581 -11.490 -7.162 146 HH12 ARG 20 2HH2 ARG 20 -16.203 -11.117 -8.746 147 HH21 ARG 20 1HH1 ARG 20 -17.135 -7.904 -7.952 148 HH22 ARG 20 2HH1 ARG 20 -17.064 -9.140 -9.172 149 H SER 21 H SER 21 -10.892 -7.319 -3.234 150 HA SER 21 HA SER 21 -10.616 -4.750 -4.557 151 HB2 SER 21 2HB SER 21 -8.680 -6.389 -2.873 152 HB3 SER 21 3HB SER 21 -8.355 -4.743 -3.452 153 HG SER 21 HG SER 21 -10.268 -4.083 -2.325 154 H THR 22 H THR 22 -8.989 -4.093 -6.087 155 HA THR 22 HA THR 22 -7.510 -6.240 -7.525 156 HB THR 22 HB THR 22 -9.135 -4.122 -8.925 157 HG1 THR 22 1HG THR 22 -10.484 -5.732 -8.115 158 HG21 THR 22 1HG2 THR 22 -7.133 -4.830 -10.226 159 HG22 THR 22 2HG2 THR 22 -7.677 -6.519 -10.091 160 HG23 THR 22 3HG2 THR 22 -8.644 -5.338 -10.987 161 H CYS 23 HN CYS 23 -5.550 -5.683 -8.118 162 HA CYS 23 HA CYS 23 -4.370 -3.271 -7.089 163 HB2 CYS 23 2HB CYS 23 -3.288 -5.402 -6.901 164 HB3 CYS 23 3HB CYS 23 -3.480 -5.704 -8.628 165 H LYS 24 H LYS 24 -4.573 -1.417 -8.146 166 HA LYS 24 HA LYS 24 -4.751 -1.163 -11.073 167 HB2 LYS 24 2HB LYS 24 -4.579 0.734 -8.726 168 HB3 LYS 24 3HB LYS 24 -4.271 1.324 -10.362 169 HG2 LYS 24 2HG LYS 24 -6.566 1.665 -9.902 170 HG3 LYS 24 3HG LYS 24 -6.438 0.437 -11.144 171 HD2 LYS 24 2HD LYS 24 -7.071 -1.312 -9.575 172 HD3 LYS 24 3HD LYS 24 -6.859 -0.223 -8.200 173 HE2 LYS 24 2HE LYS 24 -9.208 -0.481 -8.570 174 HE3 LYS 24 3HE LYS 24 -8.756 1.169 -9.000 175 HZ1 LYS 24 3HZ LYS 24 -9.240 -1.044 -10.930 176 HZ2 LYS 24 1HZ LYS 24 -10.241 0.206 -10.652 177 HZ3 LYS 24 2HZ LYS 24 -8.799 0.477 -11.358 178 H GLY 25 H GLY 25 -2.196 -1.781 -9.000 179 HA2 GLY 25 2HA GLY 25 -0.021 -0.572 -10.505 180 HA3 GLY 25 3HA GLY 25 0.094 -1.841 -9.285 181 H CYS 26 HN CYS 26 -1.636 -3.765 -10.693 182 HA CYS 26 HA CYS 26 -0.230 -4.184 -13.264 183 HB2 CYS 26 2HB CYS 26 0.419 -6.426 -12.799 184 HB3 CYS 26 3HB CYS 26 1.077 -5.378 -11.544 185 H MET 27 H MET 27 -3.220 -4.063 -11.921 186 HA MET 27 HA MET 27 -5.274 -4.644 -12.514 187 HB2 MET 27 2HB MET 27 -4.142 -5.233 -15.258 188 HB3 MET 27 3HB MET 27 -5.850 -5.075 -14.882 189 HG2 MET 27 2HG MET 27 -3.992 -2.785 -14.217 190 HG3 MET 27 3HG MET 27 -4.443 -3.088 -15.881 191 HE1 MET 27 3HE MET 27 -7.464 -1.820 -12.600 192 HE2 MET 27 1HE MET 27 -7.147 -3.552 -12.808 193 HE3 MET 27 2HE MET 27 -5.833 -2.464 -12.304 194 H GLU 28 H GLU 28 -4.245 -6.389 -10.924 195 HA GLU 28 HA GLU 28 -5.675 -8.862 -11.722 196 HB2 GLU 28 2HB GLU 28 -2.900 -8.786 -10.484 197 HB3 GLU 28 3HB GLU 28 -3.947 -10.185 -10.361 198 HG2 GLU 28 2HG GLU 28 -2.963 -8.963 -12.959 199 HG3 GLU 28 3HG GLU 28 -2.304 -10.394 -12.163 200 H LYS 29 H LYS 29 -6.394 -10.127 -9.913 201 HA LYS 29 HA LYS 29 -7.631 -8.284 -8.037 202 HB2 LYS 29 2HB LYS 29 -8.911 -10.149 -7.204 203 HB3 LYS 29 3HB LYS 29 -8.964 -10.048 -8.961 204 HG2 LYS 29 2HG LYS 29 -7.296 -11.910 -9.105 205 HG3 LYS 29 3HG LYS 29 -7.308 -12.027 -7.331 206 HD2 LYS 29 2HD LYS 29 -9.728 -12.554 -7.363 207 HD3 LYS 29 3HD LYS 29 -9.758 -12.339 -9.116 208 HE2 LYS 29 2HE LYS 29 -9.715 -14.674 -8.755 209 HE3 LYS 29 3HE LYS 29 -8.113 -14.227 -9.348 210 HZ1 LYS 29 3HZ LYS 29 -8.774 -14.672 -6.480 211 HZ2 LYS 29 1HZ LYS 29 -8.021 -15.759 -7.441 212 HZ3 LYS 29 2HZ LYS 29 -7.289 -14.356 -7.051 213 H ILE 30 H ILE 30 -7.286 -7.916 -5.991 214 HA ILE 30 HA ILE 30 -4.807 -8.873 -4.715 215 HB ILE 30 HB ILE 30 -6.874 -6.760 -4.113 216 HG12 ILE 30 2HG1 ILE 30 -3.862 -6.567 -4.537 217 HG13 ILE 30 3HG1 ILE 30 -5.041 -6.416 -5.832 218 HG21 ILE 30 1HG2 ILE 30 -5.795 -6.108 -2.114 219 HG22 ILE 30 2HG2 ILE 30 -6.139 -7.815 -1.916 220 HG23 ILE 30 3HG2 ILE 30 -4.484 -7.294 -2.328 221 HD11 ILE 30 3HD1 ILE 30 -4.792 -4.545 -3.448 222 HD12 ILE 30 1HD1 ILE 30 -4.331 -4.230 -5.122 223 HD13 ILE 30 2HD1 ILE 30 -6.041 -4.446 -4.721 224 H GLU 31 H GLU 31 -4.730 -10.501 -3.308 225 HA GLU 31 HA GLU 31 -7.172 -12.036 -2.949 226 HB2 GLU 31 2HB GLU 31 -4.340 -12.743 -2.133 227 HB3 GLU 31 3HB GLU 31 -5.697 -13.854 -2.263 228 HG2 GLU 31 2HG GLU 31 -4.386 -12.354 -4.571 229 HG3 GLU 31 3HG GLU 31 -4.090 -14.020 -4.118 230 H LYS 32 H LYS 32 -8.015 -12.885 -1.152 231 HA LYS 32 HA LYS 32 -8.265 -11.376 1.224 232 HB2 LYS 32 2HB LYS 32 -9.922 -12.979 0.485 233 HB3 LYS 32 3HB LYS 32 -8.773 -14.309 0.571 234 HG2 LYS 32 2HG LYS 32 -10.396 -14.419 2.356 235 HG3 LYS 32 3HG LYS 32 -8.773 -14.217 3.022 236 HD2 LYS 32 2HD LYS 32 -9.208 -11.978 3.688 237 HD3 LYS 32 3HD LYS 32 -10.564 -11.838 2.566 238 HE2 LYS 32 2HE LYS 32 -11.423 -11.946 4.809 239 HE3 LYS 32 3HE LYS 32 -11.892 -13.397 3.926 240 HZ1 LYS 32 3HZ LYS 32 -9.640 -13.239 5.873 241 HZ2 LYS 32 1HZ LYS 32 -11.091 -13.921 6.165 242 HZ3 LYS 32 2HZ LYS 32 -10.091 -14.595 5.071 243 H GLY 33 H GLY 33 -7.160 -11.161 3.008 244 HA2 GLY 33 2HA GLY 33 -6.044 -11.802 4.934 245 HA3 GLY 33 3HA GLY 33 -5.688 -13.374 4.220 246 H GLN 34 H GLN 34 -4.509 -11.332 1.939 247 HA GLN 34 HA GLN 34 -1.887 -10.904 3.300 248 HB2 GLN 34 2HB GLN 34 -0.809 -10.851 1.146 249 HB3 GLN 34 3HB GLN 34 -1.599 -12.375 1.487 250 HG2 GLN 34 2HG GLN 34 -1.937 -11.986 -0.807 251 HG3 GLN 34 3HG GLN 34 -3.484 -11.695 -0.054 252 HE21 GLN 34 1HE2 GLN 34 -4.381 -9.520 -0.234 253 HE22 GLN 34 2HE2 GLN 34 -3.433 -8.200 -0.937 254 H VAL 35 H VAL 35 -0.701 -8.903 2.519 255 HA VAL 35 HA VAL 35 -2.297 -6.682 3.402 256 HB VAL 35 HB VAL 35 0.543 -6.854 2.371 257 HG11 VAL 35 1HG1 VAL 35 0.904 -4.618 3.384 258 HG12 VAL 35 2HG1 VAL 35 -0.189 -4.543 2.009 259 HG13 VAL 35 3HG1 VAL 35 -0.844 -4.462 3.662 260 HG21 VAL 35 3HG2 VAL 35 -0.605 -6.500 5.171 261 HG22 VAL 35 1HG2 VAL 35 0.137 -7.983 4.526 262 HG23 VAL 35 2HG2 VAL 35 1.119 -6.535 4.745 263 H ARG 36 H ARG 36 -3.105 -4.942 2.390 264 HA ARG 36 HA ARG 36 -2.662 -4.540 -0.521 265 HB2 ARG 36 2HB ARG 36 -4.921 -3.800 -0.863 266 HB3 ARG 36 3HB ARG 36 -4.887 -5.459 -0.263 267 HG2 ARG 36 2HG ARG 36 -5.620 -4.752 1.951 268 HG3 ARG 36 3HG ARG 36 -5.572 -3.053 1.462 269 HD2 ARG 36 2HD ARG 36 -7.314 -3.454 -0.235 270 HD3 ARG 36 3HD ARG 36 -7.350 -5.171 0.192 271 HE ARG 36 HE ARG 36 -7.882 -3.298 2.421 272 HH11 ARG 36 1HH2 ARG 36 -9.594 -5.041 -0.142 273 HH12 ARG 36 2HH2 ARG 36 -11.027 -5.105 0.820 274 HH21 ARG 36 1HH1 ARG 36 -9.703 -3.312 3.424 275 HH22 ARG 36 2HH1 ARG 36 -11.138 -4.104 2.780 276 H LEU 37 H LEU 37 -1.982 -2.563 -1.051 277 HA LEU 37 HA LEU 37 -2.022 -0.451 1.033 278 HB2 LEU 37 2HB LEU 37 -0.100 -0.531 -1.307 279 HB3 LEU 37 3HB LEU 37 -0.116 0.538 0.117 280 HG LEU 37 HG LEU 37 1.696 -0.771 0.427 281 HD11 LEU 37 1HD1 LEU 37 -0.404 -2.158 2.107 282 HD12 LEU 37 2HD1 LEU 37 1.319 -1.912 2.479 283 HD13 LEU 37 3HD1 LEU 37 0.221 -0.521 2.348 284 HD21 LEU 37 3HD2 LEU 37 1.821 -3.175 0.357 285 HD22 LEU 37 1HD2 LEU 37 0.104 -3.335 -0.034 286 HD23 LEU 37 2HD2 LEU 37 1.203 -2.574 -1.200 287 H SER 38 H SER 38 -2.465 1.710 0.367 288 HA SER 38 HA SER 38 -3.968 1.855 -2.180 289 HB2 SER 38 2HB SER 38 -5.568 3.219 -1.340 290 HB3 SER 38 3HB SER 38 -5.272 2.146 0.034 291 HG SER 38 HG SER 38 -5.361 4.528 0.408 292 H LYS 39 H LYS 39 -4.193 3.999 -3.169 293 HA LYS 39 HA LYS 39 -2.627 6.120 -1.880 294 HB2 LYS 39 2HB LYS 39 -1.231 6.022 -3.733 295 HB3 LYS 39 3HB LYS 39 -2.547 5.660 -4.864 296 HG2 LYS 39 2HG LYS 39 -3.346 7.863 -4.895 297 HG3 LYS 39 3HG LYS 39 -2.485 8.302 -3.396 298 HD2 LYS 39 2HD LYS 39 -0.384 8.375 -4.464 299 HD3 LYS 39 3HD LYS 39 -1.029 7.666 -5.962 300 HE2 LYS 39 2HE LYS 39 -0.699 10.096 -6.176 301 HE3 LYS 39 3HE LYS 39 -2.392 9.634 -6.389 302 HZ1 LYS 39 3HZ LYS 39 -1.273 10.692 -3.835 303 HZ2 LYS 39 1HZ LYS 39 -2.063 11.615 -4.930 304 HZ3 LYS 39 2HZ LYS 39 -2.851 10.423 -4.133 305 H LYS 40 H LYS 40 -3.768 7.940 -1.512 306 HA LYS 40 HA LYS 40 -6.639 7.976 -2.185 307 HB2 LYS 40 2HB LYS 40 -6.055 8.445 0.057 308 HB3 LYS 40 3HB LYS 40 -4.922 9.700 -0.399 309 HG2 LYS 40 2HG LYS 40 -7.881 9.913 -1.134 310 HG3 LYS 40 3HG LYS 40 -7.342 10.280 0.493 311 HD2 LYS 40 2HD LYS 40 -6.514 11.718 -2.046 312 HD3 LYS 40 3HD LYS 40 -7.555 12.317 -0.765 313 HE2 LYS 40 2HE LYS 40 -4.587 11.693 -0.461 314 HE3 LYS 40 3HE LYS 40 -5.252 13.289 -0.763 315 HZ1 LYS 40 3HZ LYS 40 -6.003 11.694 1.624 316 HZ2 LYS 40 1HZ LYS 40 -4.792 12.771 1.624 317 HZ3 LYS 40 2HZ LYS 40 -6.334 13.276 1.350 318 H MET 41 H MET 41 -7.353 8.888 -3.997 319 HA MET 41 HA MET 41 -6.542 11.530 -4.861 320 HB2 MET 41 2HB MET 41 -5.810 10.956 -7.138 321 HB3 MET 41 3HB MET 41 -4.679 10.374 -5.928 322 HG2 MET 41 2HG MET 41 -5.625 8.095 -6.116 323 HG3 MET 41 3HG MET 41 -6.785 8.676 -7.317 324 HE1 MET 41 3HE MET 41 -4.966 6.204 -7.715 325 HE2 MET 41 1HE MET 41 -6.194 6.820 -8.859 326 HE3 MET 41 2HE MET 41 -4.549 6.419 -9.434 327 H VAL 42 H VAL 42 -8.114 12.492 -6.267 328 HA VAL 42 HA VAL 42 -10.606 11.437 -6.734 329 HB VAL 42 HB VAL 42 -9.069 13.248 -8.624 330 HG11 VAL 42 1HG1 VAL 42 -12.070 12.776 -8.314 331 HG12 VAL 42 2HG1 VAL 42 -11.333 14.068 -9.285 332 HG13 VAL 42 3HG1 VAL 42 -11.075 12.387 -9.738 333 HG21 VAL 42 3HG2 VAL 42 -10.252 15.088 -7.454 334 HG22 VAL 42 1HG2 VAL 42 -10.928 13.923 -6.300 335 HG23 VAL 42 2HG2 VAL 42 -9.175 14.221 -6.364 336 H ASP 43 H ASP 43 -11.486 9.869 -7.980 337 HA ASP 43 HA ASP 43 -9.845 8.027 -9.443 338 HB2 ASP 43 2HB ASP 43 -12.025 7.536 -8.265 339 HB3 ASP 43 3HB ASP 43 -12.871 8.372 -9.548 340 HA PRO 44 HA PRO 44 -9.835 10.537 -13.211 341 HB2 PRO 44 2HB PRO 44 -8.321 8.909 -14.839 342 HB3 PRO 44 3HB PRO 44 -7.627 9.876 -13.502 343 HG2 PRO 44 2HG PRO 44 -8.485 6.956 -13.424 344 HG3 PRO 44 3HG PRO 44 -6.915 7.658 -12.905 345 HD2 PRO 44 2HD PRO 44 -8.877 7.155 -11.137 346 HD3 PRO 44 3HD PRO 44 -7.894 8.644 -10.993 347 H GLU 45 H GLU 45 -11.272 7.399 -12.879 348 HA GLU 45 HA GLU 45 -12.632 7.553 -15.541 349 HB2 GLU 45 2HB GLU 45 -12.485 5.347 -13.452 350 HB3 GLU 45 3HB GLU 45 -13.334 5.239 -14.991 351 HG2 GLU 45 2HG GLU 45 -11.294 5.353 -16.255 352 HG3 GLU 45 3HG GLU 45 -10.339 5.793 -14.841 353 H LYS 46 H LYS 46 -13.124 8.337 -12.263 354 HA LYS 46 HA LYS 46 -16.005 8.791 -12.576 355 HB2 LYS 46 2HB LYS 46 -14.775 7.043 -10.406 356 HB3 LYS 46 3HB LYS 46 -16.389 7.700 -10.280 357 HG2 LYS 46 2HG LYS 46 -15.638 5.843 -12.570 358 HG3 LYS 46 3HG LYS 46 -16.099 5.277 -10.981 359 HD2 LYS 46 2HD LYS 46 -18.090 5.211 -12.206 360 HD3 LYS 46 3HD LYS 46 -18.217 6.583 -11.113 361 HE2 LYS 46 2HE LYS 46 -19.181 7.250 -13.168 362 HE3 LYS 46 3HE LYS 46 -17.646 8.109 -13.029 363 HZ1 LYS 46 3HZ LYS 46 -17.982 5.616 -14.612 364 HZ2 LYS 46 1HZ LYS 46 -18.061 7.116 -15.254 365 HZ3 LYS 46 2HZ LYS 46 -16.664 6.610 -14.590 366 HA PRO 47 HA PRO 47 -13.379 11.959 -10.303 367 HB2 PRO 47 2HB PRO 47 -13.975 14.191 -11.824 368 HB3 PRO 47 3HB PRO 47 -12.641 13.048 -12.166 369 HG2 PRO 47 2HG PRO 47 -15.432 13.060 -13.363 370 HG3 PRO 47 3HG PRO 47 -13.856 12.935 -14.218 371 HD2 PRO 47 2HD PRO 47 -15.302 10.730 -13.669 372 HD3 PRO 47 3HD PRO 47 -13.522 10.719 -13.476 373 H GLN 48 H GLN 48 -16.755 11.831 -11.202 374 HA GLN 48 HA GLN 48 -17.831 13.908 -9.594 375 HB2 GLN 48 2HB GLN 48 -18.954 12.613 -11.418 376 HB3 GLN 48 3HB GLN 48 -19.048 11.213 -10.338 377 HG2 GLN 48 2HG GLN 48 -20.499 12.496 -8.794 378 HG3 GLN 48 3HG GLN 48 -20.316 13.939 -9.795 379 HE21 GLN 48 2HE2 GLN 48 -22.844 13.507 -9.458 380 HE22 GLN 48 1HE2 GLN 48 -23.579 12.619 -10.787 381 H LEU 49 H LEU 49 -16.505 10.770 -8.614 382 HA LEU 49 HA LEU 49 -17.719 10.599 -5.989 383 HB2 LEU 49 2HB LEU 49 -15.048 9.659 -7.136 384 HB3 LEU 49 3HB LEU 49 -15.637 9.198 -5.550 385 HG LEU 49 HG LEU 49 -17.042 8.489 -8.159 386 HD11 LEU 49 1HD1 LEU 49 -16.103 6.248 -7.722 387 HD12 LEU 49 2HD1 LEU 49 -14.804 7.452 -7.865 388 HD13 LEU 49 3HD1 LEU 49 -15.290 6.874 -6.263 389 HD21 LEU 49 3HD2 LEU 49 -18.605 8.569 -6.272 390 HD22 LEU 49 1HD2 LEU 49 -18.256 6.880 -6.673 391 HD23 LEU 49 2HD2 LEU 49 -17.476 7.640 -5.260 392 H GLY 50 H GLY 50 -15.082 12.555 -7.264 393 HA2 GLY 50 2HA GLY 50 -13.363 13.733 -6.235 394 HA3 GLY 50 3HA GLY 50 -14.125 13.501 -4.660 395 H MET 51 H MET 51 -12.396 12.705 -3.605 396 HA MET 51 HA MET 51 -10.400 11.044 -4.691 397 HB2 MET 51 2HB MET 51 -10.604 11.760 -1.775 398 HB3 MET 51 3HB MET 51 -9.178 11.521 -2.786 399 HG2 MET 51 2HG MET 51 -10.117 13.620 -4.106 400 HG3 MET 51 3HG MET 51 -11.077 13.878 -2.653 401 HE1 MET 51 3HE MET 51 -7.588 12.961 -3.838 402 HE2 MET 51 1HE MET 51 -7.798 14.602 -4.474 403 HE3 MET 51 2HE MET 51 -6.555 14.291 -3.238 404 H ILE 52 H ILE 52 -9.970 8.948 -4.491 405 HA ILE 52 HA ILE 52 -11.420 7.308 -2.482 406 HB ILE 52 HB ILE 52 -11.321 5.417 -4.131 407 HG12 ILE 52 2HG1 ILE 52 -10.938 7.500 -6.306 408 HG13 ILE 52 3HG1 ILE 52 -9.573 6.617 -5.634 409 HG21 ILE 52 1HG2 ILE 52 -13.065 7.752 -4.975 410 HG22 ILE 52 2HG2 ILE 52 -13.361 6.019 -5.258 411 HG23 ILE 52 3HG2 ILE 52 -13.355 6.647 -3.604 412 HD11 ILE 52 3HD1 ILE 52 -11.957 5.293 -6.961 413 HD12 ILE 52 1HD1 ILE 52 -10.339 5.533 -7.657 414 HD13 ILE 52 2HD1 ILE 52 -10.547 4.468 -6.251 415 H ASP 53 H ASP 53 -10.365 5.287 -2.035 416 HA ASP 53 HA ASP 53 -7.385 5.401 -2.012 417 HB2 ASP 53 2HB ASP 53 -9.409 3.787 -0.443 418 HB3 ASP 53 3HB ASP 53 -7.726 3.299 -0.565 419 H ARG 54 H ARG 54 -6.934 4.993 -4.086 420 HA ARG 54 HA ARG 54 -7.866 2.720 -5.686 421 HB2 ARG 54 2HB ARG 54 -6.537 5.034 -6.280 422 HB3 ARG 54 3HB ARG 54 -5.149 3.998 -6.043 423 HG2 ARG 54 2HG ARG 54 -5.490 3.874 -8.316 424 HG3 ARG 54 3HG ARG 54 -6.232 2.383 -7.752 425 HD2 ARG 54 2HD ARG 54 -8.445 3.265 -8.063 426 HD3 ARG 54 3HD ARG 54 -7.880 4.942 -8.024 427 HE ARG 54 HE ARG 54 -6.633 3.932 -10.257 428 HH11 ARG 54 1HH2 ARG 54 -10.014 4.260 -9.364 429 HH12 ARG 54 2HH2 ARG 54 -10.465 4.650 -10.990 430 HH21 ARG 54 1HH1 ARG 54 -7.387 4.061 -12.351 431 HH22 ARG 54 2HH1 ARG 54 -9.110 4.062 -12.633 432 H TRP 55 H TRP 55 -7.128 0.560 -5.489 433 HA TRP 55 HA TRP 55 -5.069 0.082 -3.413 434 HB2 TRP 55 2HB TRP 55 -7.147 -1.767 -4.586 435 HB3 TRP 55 3HB TRP 55 -5.958 -2.218 -3.370 436 HD1 TRP 55 HD1 TRP 55 -9.314 -0.644 -3.707 437 HE1 TRP 55 HE1 TRP 55 -10.186 0.201 -1.454 438 HE3 TRP 55 HE3 TRP 55 -5.061 -1.230 -0.907 439 HZ2 TRP 55 HZ2 TRP 55 -9.143 0.695 1.191 440 HZ3 TRP 55 HZ3 TRP 55 -5.009 -0.490 1.463 441 HH2 TRP 55 HH2 TRP 55 -7.035 0.489 2.513 442 H TYR 56 H TYR 56 -3.453 -1.369 -3.524 443 HA TYR 56 HA TYR 56 -2.363 -2.383 -6.083 444 HB2 TYR 56 2HB TYR 56 -0.924 -0.637 -4.035 445 HB3 TYR 56 3HB TYR 56 -0.214 -1.324 -5.487 446 HD1 TYR 56 HD2 TYR 56 -0.788 -0.439 -7.706 447 HD2 TYR 56 HD1 TYR 56 -2.344 1.369 -4.136 448 HE1 TYR 56 HE2 TYR 56 -1.481 1.567 -9.034 449 HE2 TYR 56 HE1 TYR 56 -3.040 3.362 -5.446 450 HH TYR 56 HH TYR 56 -3.070 4.378 -7.508 451 H HIS 57 H HIS 57 -0.801 -4.025 -5.812 452 HA HIS 57 HA HIS 57 -0.862 -5.691 -3.411 453 HB2 HIS 57 2HB HIS 57 0.903 -5.827 -5.848 454 HB3 HIS 57 3HB HIS 57 1.014 -6.966 -4.542 455 HD2 HIS 57 HD2 HIS 57 -1.449 -8.294 -3.923 456 HE1 HIS 57 HE1 HIS 57 -2.602 -8.407 -8.007 457 HE2 HIS 57 HE2 HIS 57 -2.993 -9.429 -5.742 458 HA PRO 58 HA PRO 58 2.819 -4.199 -1.205 459 HB2 PRO 58 2HB PRO 58 3.620 -7.099 -1.081 460 HB3 PRO 58 3HB PRO 58 3.593 -5.872 0.229 461 HG2 PRO 58 2HG PRO 58 1.585 -7.660 0.071 462 HG3 PRO 58 3HG PRO 58 1.190 -5.922 0.314 463 HD2 PRO 58 2HD PRO 58 1.194 -7.489 -2.283 464 HD3 PRO 58 3HD PRO 58 -0.081 -6.433 -1.612 465 H GLY 59 H GLY 59 3.368 -6.371 -3.947 466 HA2 GLY 59 2HA GLY 59 6.178 -5.513 -4.302 467 HA3 GLY 59 3HA GLY 59 5.219 -6.516 -5.397 468 H CYS 60 HN CYS 60 3.031 -4.980 -5.968 469 HA CYS 60 HA CYS 60 4.081 -3.372 -7.976 470 HB2 CYS 60 2HB CYS 60 1.217 -3.467 -6.973 471 HB3 CYS 60 3HB CYS 60 1.765 -3.023 -8.597 472 H PHE 61 H PHE 61 2.525 -2.336 -4.895 473 HA PHE 61 HA PHE 61 2.367 0.412 -5.619 474 HB2 PHE 61 2HB PHE 61 1.594 0.769 -3.567 475 HB3 PHE 61 3HB PHE 61 1.473 -0.980 -3.516 476 HD1 PHE 61 HD1 PHE 61 3.338 -2.297 -2.445 477 HD2 PHE 61 HD2 PHE 61 3.121 1.973 -2.176 478 HE1 PHE 61 HE1 PHE 61 4.753 -2.373 -0.382 479 HE2 PHE 61 HE2 PHE 61 4.525 1.917 -0.098 480 HZ PHE 61 HZ PHE 61 5.330 -0.257 0.795 481 H VAL 62 H VAL 62 5.090 -1.458 -4.295 482 HA VAL 62 HA VAL 62 6.950 0.755 -4.201 483 HB VAL 62 HB VAL 62 7.623 -2.186 -4.545 484 HG11 VAL 62 1HG1 VAL 62 9.252 0.186 -3.530 485 HG12 VAL 62 2HG1 VAL 62 9.761 -1.516 -3.474 486 HG13 VAL 62 3HG1 VAL 62 9.534 -0.723 -5.030 487 HG21 VAL 62 3HG2 VAL 62 7.988 -2.068 -2.036 488 HG22 VAL 62 1HG2 VAL 62 7.134 -0.510 -2.049 489 HG23 VAL 62 2HG2 VAL 62 6.310 -1.998 -2.550 490 H LYS 63 H LYS 63 6.167 -1.616 -6.794 491 HA LYS 63 HA LYS 63 8.107 -0.756 -8.670 492 HB2 LYS 63 2HB LYS 63 6.743 -2.790 -8.918 493 HB3 LYS 63 3HB LYS 63 5.289 -1.813 -9.127 494 HG2 LYS 63 2HG LYS 63 6.177 -0.876 -11.234 495 HG3 LYS 63 3HG LYS 63 7.655 -1.822 -11.025 496 HD2 LYS 63 2HD LYS 63 6.142 -2.903 -12.617 497 HD3 LYS 63 3HD LYS 63 6.394 -3.909 -11.198 498 HE2 LYS 63 2HE LYS 63 4.078 -4.015 -11.907 499 HE3 LYS 63 3HE LYS 63 4.178 -3.292 -10.306 500 HZ1 LYS 63 3HZ LYS 63 2.655 -2.159 -11.933 501 HZ2 LYS 63 1HZ LYS 63 3.712 -1.147 -11.240 502 HZ3 LYS 63 2HZ LYS 63 3.954 -1.668 -12.788 503 H ASN 64 H ASN 64 4.911 0.671 -7.996 504 HA ASN 64 HA ASN 64 5.539 2.933 -9.827 505 HB2 ASN 64 2HB ASN 64 2.887 3.274 -9.228 506 HB3 ASN 64 3HB ASN 64 3.582 2.615 -10.684 507 HD21 ASN 64 1HD2 ASN 64 1.905 1.790 -7.672 508 HD22 ASN 64 2HD2 ASN 64 1.489 0.179 -8.246 509 H ARG 65 H ARG 65 6.493 2.534 -6.822 510 HA ARG 65 HA ARG 65 5.279 4.502 -5.341 511 HB2 ARG 65 2HB ARG 65 6.943 4.363 -3.831 512 HB3 ARG 65 3HB ARG 65 7.184 2.869 -4.671 513 HG2 ARG 65 2HG ARG 65 8.795 5.415 -5.207 514 HG3 ARG 65 3HG ARG 65 9.270 4.184 -4.048 515 HD2 ARG 65 2HD ARG 65 9.686 2.563 -5.657 516 HD3 ARG 65 3HD ARG 65 8.642 3.355 -6.846 517 HE ARG 65 HE ARG 65 11.171 4.704 -6.034 518 HH11 ARG 65 1HH2 ARG 65 9.499 2.941 -8.607 519 HH12 ARG 65 2HH2 ARG 65 10.294 3.934 -9.832 520 HH21 ARG 65 1HH1 ARG 65 12.282 5.680 -7.776 521 HH22 ARG 65 2HH1 ARG 65 11.752 5.277 -9.404 522 H GLU 66 H GLU 66 7.598 5.134 -7.933 523 HA GLU 66 HA GLU 66 7.800 7.952 -7.343 524 HB2 GLU 66 2HB GLU 66 8.910 8.193 -9.464 525 HB3 GLU 66 3HB GLU 66 9.545 6.814 -8.583 526 HG2 GLU 66 2HG GLU 66 8.156 5.293 -10.031 527 HG3 GLU 66 3HG GLU 66 7.593 6.702 -10.927 528 H GLU 67 H GLU 67 5.436 6.053 -9.073 529 HA GLU 67 HA GLU 67 4.091 8.348 -10.299 530 HB2 GLU 67 2HB GLU 67 4.159 6.005 -11.290 531 HB3 GLU 67 3HB GLU 67 3.082 5.511 -9.986 532 HG2 GLU 67 2HG GLU 67 1.730 5.912 -11.892 533 HG3 GLU 67 3HG GLU 67 1.411 7.221 -10.766 534 H LEU 68 H LEU 68 3.668 6.155 -7.490 535 HA LEU 68 HA LEU 68 1.337 7.516 -6.440 536 HB2 LEU 68 2HB LEU 68 3.326 5.729 -5.005 537 HB3 LEU 68 3HB LEU 68 1.723 6.173 -4.434 538 HG LEU 68 HG LEU 68 2.380 4.395 -6.817 539 HD11 LEU 68 1HD1 LEU 68 1.246 2.667 -5.486 540 HD12 LEU 68 2HD1 LEU 68 2.658 3.325 -4.641 541 HD13 LEU 68 3HD1 LEU 68 1.018 3.826 -4.163 542 HD21 LEU 68 3HD2 LEU 68 -0.361 5.195 -5.807 543 HD22 LEU 68 1HD2 LEU 68 0.361 5.696 -7.358 544 HD23 LEU 68 2HD2 LEU 68 0.004 3.997 -7.064 545 H GLY 69 H GLY 69 4.716 8.316 -6.269 546 HA2 GLY 69 2HA GLY 69 5.364 10.556 -5.900 547 HA3 GLY 69 3HA GLY 69 3.964 10.828 -4.869 548 H PHE 70 H PHE 70 5.982 7.998 -4.272 549 HA PHE 70 HA PHE 70 6.596 8.815 -1.566 550 HB2 PHE 70 2HB PHE 70 7.510 6.542 -3.344 551 HB3 PHE 70 3HB PHE 70 8.188 6.787 -1.752 552 HD1 PHE 70 HD2 PHE 70 5.059 5.921 -3.555 553 HD2 PHE 70 HD1 PHE 70 7.028 6.233 0.258 554 HE1 PHE 70 HE2 PHE 70 3.252 4.570 -2.513 555 HE2 PHE 70 HE1 PHE 70 5.247 4.854 1.293 556 HZ PHE 70 HZ PHE 70 3.359 4.021 -0.099 557 H ARG 71 H ARG 71 8.322 9.713 -0.690 558 HA ARG 71 HA ARG 71 10.958 9.750 -2.039 559 HB2 ARG 71 2HB ARG 71 9.562 12.087 -0.675 560 HB3 ARG 71 3HB ARG 71 11.303 12.038 -0.897 561 HG2 ARG 71 2HG ARG 71 11.122 12.017 -3.300 562 HG3 ARG 71 3HG ARG 71 9.368 11.780 -3.233 563 HD2 ARG 71 2HD ARG 71 9.908 14.098 -3.767 564 HD3 ARG 71 3HD ARG 71 9.015 13.933 -2.258 565 HE ARG 71 HE ARG 71 11.930 14.588 -2.526 566 HH11 ARG 71 1HH2 ARG 71 9.040 14.709 -0.455 567 HH12 ARG 71 2HH2 ARG 71 10.023 15.362 0.864 568 HH21 ARG 71 1HH1 ARG 71 12.946 15.519 -0.714 569 HH22 ARG 71 2HH1 ARG 71 11.964 15.774 0.730 570 HA PRO 72 HA PRO 72 12.527 7.921 1.501 571 HB2 PRO 72 2HB PRO 72 14.551 10.137 1.868 572 HB3 PRO 72 3HB PRO 72 14.813 8.364 1.852 573 HG2 PRO 72 2HG PRO 72 15.376 9.815 -0.349 574 HG3 PRO 72 3HG PRO 72 14.471 8.271 -0.523 575 HD2 PRO 72 2HD PRO 72 13.381 11.097 -0.471 576 HD3 PRO 72 3HD PRO 72 13.000 9.760 -1.594 577 H GLU 73 H GLU 73 11.834 11.374 2.158 578 HA GLU 73 HA GLU 73 11.940 10.942 5.040 579 HB2 GLU 73 2HB GLU 73 11.343 13.205 5.305 580 HB3 GLU 73 3HB GLU 73 12.490 13.113 3.970 581 HG2 GLU 73 2HG GLU 73 10.576 13.262 2.355 582 HG3 GLU 73 3HG GLU 73 9.466 13.428 3.719 583 H TYR 74 H TYR 74 9.608 9.984 2.820 584 HA TYR 74 HA TYR 74 7.765 9.332 4.988 585 HB2 TYR 74 2HB TYR 74 5.777 10.168 3.647 586 HB3 TYR 74 3HB TYR 74 6.720 11.286 4.590 587 HD1 TYR 74 HD1 TYR 74 6.941 10.018 1.030 588 HD2 TYR 74 HD2 TYR 74 6.878 13.381 3.721 589 HE1 TYR 74 HE1 TYR 74 6.971 11.583 -0.916 590 HE2 TYR 74 HE2 TYR 74 6.990 14.938 1.779 591 HH TYR 74 HH TYR 74 6.866 13.768 -1.594 592 H SER 75 H SER 75 9.195 7.511 4.162 593 HA SER 75 HA SER 75 8.489 5.834 2.009 594 HB2 SER 75 2HB SER 75 9.741 4.198 3.230 595 HB3 SER 75 3HB SER 75 10.490 5.773 3.495 596 HG SER 75 HG SER 75 10.277 4.666 5.475 597 H ALA 76 H ALA 76 7.883 3.415 2.755 598 HA ALA 76 HA ALA 76 5.118 3.149 3.154 599 HB1 ALA 76 1HB ALA 76 5.652 0.785 3.497 600 HB2 ALA 76 2HB ALA 76 6.640 1.442 2.182 601 HB3 ALA 76 3HB ALA 76 7.360 1.175 3.788 602 H SER 77 H SER 77 7.525 3.790 5.623 603 HA SER 77 HA SER 77 6.091 2.718 7.879 604 HB2 SER 77 2HB SER 77 7.571 4.095 9.224 605 HB3 SER 77 3HB SER 77 8.500 3.284 7.955 606 HG SER 77 HG SER 77 8.643 5.206 6.827 607 H GLN 78 H GLN 78 5.453 5.449 5.859 608 HA GLN 78 HA GLN 78 3.621 6.620 7.841 609 HB2 GLN 78 2HB GLN 78 4.972 7.954 5.478 610 HB3 GLN 78 3HB GLN 78 3.879 8.715 6.641 611 HG2 GLN 78 2HG GLN 78 5.503 8.081 8.494 612 HG3 GLN 78 3HG GLN 78 6.613 7.521 7.246 613 HE21 GLN 78 2HE2 GLN 78 8.193 9.047 7.989 614 HE22 GLN 78 1HE2 GLN 78 8.084 10.684 7.366 615 H LEU 79 H LEU 79 3.023 4.299 6.116 616 HA LEU 79 HA LEU 79 0.749 5.265 4.493 617 HB2 LEU 79 2HB LEU 79 1.711 2.505 5.354 618 HB3 LEU 79 3HB LEU 79 0.228 2.761 4.459 619 HG LEU 79 HG LEU 79 2.796 3.809 3.280 620 HD11 LEU 79 1HD1 LEU 79 3.275 1.402 3.935 621 HD12 LEU 79 2HD1 LEU 79 1.926 0.911 2.919 622 HD13 LEU 79 3HD1 LEU 79 3.315 1.724 2.193 623 HD21 LEU 79 3HD2 LEU 79 1.685 3.514 1.225 624 HD22 LEU 79 1HD2 LEU 79 0.520 2.369 1.898 625 HD23 LEU 79 2HD2 LEU 79 0.417 4.073 2.326 626 H LYS 80 H LYS 80 -1.372 5.287 5.147 627 HA LYS 80 HA LYS 80 -2.111 5.584 7.859 628 HB2 LYS 80 2HB LYS 80 -3.954 4.633 5.624 629 HB3 LYS 80 3HB LYS 80 -4.444 5.278 7.176 630 HG2 LYS 80 2HG LYS 80 -3.478 7.442 6.656 631 HG3 LYS 80 3HG LYS 80 -2.878 6.840 5.097 632 HD2 LYS 80 2HD LYS 80 -5.824 6.586 5.654 633 HD3 LYS 80 3HD LYS 80 -5.199 8.208 5.353 634 HE2 LYS 80 2HE LYS 80 -4.515 7.744 3.166 635 HE3 LYS 80 3HE LYS 80 -4.403 6.019 3.456 636 HZ1 LYS 80 3HZ LYS 80 -6.892 6.005 3.619 637 HZ2 LYS 80 1HZ LYS 80 -6.924 7.566 3.154 638 HZ3 LYS 80 2HZ LYS 80 -6.371 6.398 2.140 639 H GLY 81 H GLY 81 -2.262 4.218 9.498 640 HA2 GLY 81 2HA GLY 81 -2.729 2.319 10.727 641 HA3 GLY 81 3HA GLY 81 -3.384 1.555 9.280 642 H PHE 82 H PHE 82 -0.077 2.567 8.785 643 HA PHE 82 HA PHE 82 0.890 -0.015 8.257 644 HB2 PHE 82 2HB PHE 82 2.049 1.837 7.380 645 HB3 PHE 82 3HB PHE 82 2.169 2.642 8.933 646 HD1 PHE 82 HD1 PHE 82 3.644 -0.036 6.805 647 HD2 PHE 82 HD2 PHE 82 3.890 2.159 10.503 648 HE1 PHE 82 HE1 PHE 82 5.917 -0.949 7.197 649 HE2 PHE 82 HE2 PHE 82 6.162 1.214 10.913 650 HZ PHE 82 HZ PHE 82 7.163 -0.355 9.257 651 H SER 83 H SER 83 1.262 1.881 11.286 652 HA SER 83 HA SER 83 2.807 0.006 12.702 653 HB2 SER 83 2HB SER 83 0.836 2.103 13.674 654 HB3 SER 83 3HB SER 83 1.987 1.245 14.726 655 HG SER 83 HG SER 83 3.650 2.007 13.198 656 H LEU 84 H LEU 84 -0.571 -0.232 11.954 657 HA LEU 84 HA LEU 84 -1.219 -2.042 14.189 658 HB2 LEU 84 2HB LEU 84 -2.911 -1.159 11.824 659 HB3 LEU 84 3HB LEU 84 -3.475 -1.979 13.271 660 HG LEU 84 HG LEU 84 -2.348 0.856 13.161 661 HD11 LEU 84 1HD1 LEU 84 -4.582 0.614 12.149 662 HD12 LEU 84 2HD1 LEU 84 -5.176 -0.165 13.633 663 HD13 LEU 84 3HD1 LEU 84 -4.646 1.532 13.663 664 HD21 LEU 84 3HD2 LEU 84 -3.532 -0.706 15.500 665 HD22 LEU 84 1HD2 LEU 84 -1.845 -0.156 15.347 666 HD23 LEU 84 2HD2 LEU 84 -3.144 1.030 15.505 667 H LEU 85 H LEU 85 0.196 -2.447 11.100 668 HA LEU 85 HA LEU 85 -0.874 -5.084 10.497 669 HB2 LEU 85 2HB LEU 85 1.456 -3.436 9.518 670 HB3 LEU 85 3HB LEU 85 1.409 -5.147 9.162 671 HG LEU 85 HG LEU 85 -0.704 -4.929 7.974 672 HD11 LEU 85 1HD1 LEU 85 -1.578 -2.679 7.379 673 HD12 LEU 85 2HD1 LEU 85 -1.790 -3.052 9.091 674 HD13 LEU 85 3HD1 LEU 85 -0.486 -1.957 8.574 675 HD21 LEU 85 3HD2 LEU 85 1.435 -4.626 6.778 676 HD22 LEU 85 1HD2 LEU 85 0.137 -3.672 6.051 677 HD23 LEU 85 2HD2 LEU 85 1.354 -2.876 7.076 678 H ALA 86 H ALA 86 0.595 -7.044 10.408 679 HA ALA 86 HA ALA 86 1.763 -7.647 12.999 680 HB1 ALA 86 1HB ALA 86 2.309 -9.797 11.965 681 HB2 ALA 86 2HB ALA 86 0.636 -9.347 11.575 682 HB3 ALA 86 3HB ALA 86 1.916 -9.157 10.357 683 H THR 87 H THR 87 3.962 -7.963 13.494 684 HA THR 87 HA THR 87 5.742 -6.004 12.674 685 HB THR 87 HB THR 87 6.549 -8.719 13.752 686 HG1 THR 87 1HG THR 87 6.122 -7.821 15.780 687 HG21 THR 87 1HG2 THR 87 7.724 -5.923 14.155 688 HG22 THR 87 2HG2 THR 87 8.271 -7.398 14.985 689 HG23 THR 87 3HG2 THR 87 8.472 -7.248 13.236 690 H GLU 88 H GLU 88 5.579 -9.364 11.418 691 HA GLU 88 HA GLU 88 7.927 -9.185 9.798 692 HB2 GLU 88 2HB GLU 88 7.139 -11.195 8.720 693 HB3 GLU 88 3HB GLU 88 6.925 -11.302 10.465 694 HG2 GLU 88 2HG GLU 88 4.485 -10.722 10.153 695 HG3 GLU 88 3HG GLU 88 4.740 -10.762 8.406 696 H ASP 89 H ASP 89 4.591 -8.132 9.126 697 HA ASP 89 HA ASP 89 5.192 -7.548 6.301 698 HB2 ASP 89 2HB ASP 89 2.803 -6.890 8.053 699 HB3 ASP 89 3HB ASP 89 2.950 -6.470 6.347 700 H LYS 90 H LYS 90 4.925 -5.707 9.359 701 HA LYS 90 HA LYS 90 5.376 -3.085 8.293 702 HB2 LYS 90 2HB LYS 90 5.990 -4.363 10.988 703 HB3 LYS 90 3HB LYS 90 6.321 -2.656 10.654 704 HG2 LYS 90 2HG LYS 90 4.047 -2.143 10.265 705 HG3 LYS 90 3HG LYS 90 3.588 -3.842 10.124 706 HD2 LYS 90 2HD LYS 90 2.780 -2.926 12.197 707 HD3 LYS 90 3HD LYS 90 3.942 -4.226 12.487 708 HE2 LYS 90 2HE LYS 90 5.685 -2.571 13.036 709 HE3 LYS 90 3HE LYS 90 4.574 -1.250 12.648 710 HZ1 LYS 90 3HZ LYS 90 4.189 -3.237 14.832 711 HZ2 LYS 90 1HZ LYS 90 4.594 -1.671 15.042 712 HZ3 LYS 90 2HZ LYS 90 3.111 -2.069 14.459 713 H GLU 91 H GLU 91 7.736 -5.548 9.360 714 HA GLU 91 HA GLU 91 10.057 -3.980 8.606 715 HB2 GLU 91 2HB GLU 91 9.661 -6.971 8.988 716 HB3 GLU 91 3HB GLU 91 11.222 -6.214 8.679 717 HG2 GLU 91 2HG GLU 91 9.448 -5.592 11.079 718 HG3 GLU 91 3HG GLU 91 10.804 -6.707 11.086 719 H ALA 92 H ALA 92 8.195 -6.528 6.815 720 HA ALA 92 HA ALA 92 9.915 -6.520 4.555 721 HB1 ALA 92 1HB ALA 92 6.976 -7.242 4.758 722 HB2 ALA 92 2HB ALA 92 8.078 -7.695 3.438 723 HB3 ALA 92 3HB ALA 92 8.358 -8.322 5.073 724 H LEU 93 H LEU 93 7.082 -4.411 5.202 725 HA LEU 93 HA LEU 93 7.003 -3.254 2.559 726 HB2 LEU 93 2HB LEU 93 6.046 -2.324 5.291 727 HB3 LEU 93 3HB LEU 93 5.759 -1.406 3.818 728 HG LEU 93 HG LEU 93 4.775 -4.262 4.204 729 HD11 LEU 93 1HD1 LEU 93 3.303 -1.609 4.506 730 HD12 LEU 93 2HD1 LEU 93 2.573 -3.229 4.585 731 HD13 LEU 93 3HD1 LEU 93 3.731 -2.726 5.824 732 HD21 LEU 93 3HD2 LEU 93 3.293 -3.736 2.321 733 HD22 LEU 93 1HD2 LEU 93 4.053 -2.137 2.153 734 HD23 LEU 93 2HD2 LEU 93 4.988 -3.620 1.839 735 H LYS 94 H LYS 94 8.687 -2.224 5.570 736 HA LYS 94 HA LYS 94 10.025 0.047 4.368 737 HB2 LYS 94 2HB LYS 94 10.718 -1.689 6.765 738 HB3 LYS 94 3HB LYS 94 11.577 -0.209 6.327 739 HG2 LYS 94 2HG LYS 94 9.508 1.117 6.597 740 HG3 LYS 94 3HG LYS 94 8.617 -0.334 7.061 741 HD2 LYS 94 2HD LYS 94 10.989 0.866 8.562 742 HD3 LYS 94 3HD LYS 94 9.287 0.992 9.035 743 HE2 LYS 94 2HE LYS 94 9.167 -1.493 9.242 744 HE3 LYS 94 3HE LYS 94 10.867 -1.610 8.790 745 HZ1 LYS 94 3HZ LYS 94 9.840 -0.319 11.251 746 HZ2 LYS 94 1HZ LYS 94 10.663 -1.742 11.127 747 HZ3 LYS 94 2HZ LYS 94 11.417 -0.328 10.793 748 H LYS 95 H LYS 95 10.968 -3.399 4.750 749 HA LYS 95 HA LYS 95 13.601 -3.032 3.738 750 HB2 LYS 95 2HB LYS 95 11.831 -5.480 3.925 751 HB3 LYS 95 3HB LYS 95 13.422 -5.565 3.164 752 HG2 LYS 95 2HG LYS 95 14.482 -4.626 5.200 753 HG3 LYS 95 3HG LYS 95 12.931 -4.638 6.028 754 HD2 LYS 95 2HD LYS 95 14.423 -7.068 4.942 755 HD3 LYS 95 3HD LYS 95 14.332 -6.565 6.636 756 HE2 LYS 95 2HE LYS 95 11.850 -6.879 6.575 757 HE3 LYS 95 3HE LYS 95 11.983 -7.462 4.909 758 HZ1 LYS 95 3HZ LYS 95 13.262 -8.753 7.263 759 HZ2 LYS 95 1HZ LYS 95 11.942 -9.314 6.483 760 HZ3 LYS 95 2HZ LYS 95 13.384 -9.283 5.723 761 H GLN 96 H GLN 96 10.646 -3.213 1.956 762 HA GLN 96 HA GLN 96 12.053 -3.475 -0.657 763 HB2 GLN 96 2HB GLN 96 9.113 -3.404 0.108 764 HB3 GLN 96 3HB GLN 96 9.718 -3.489 -1.554 765 HG2 GLN 96 2HG GLN 96 10.740 -5.635 -1.201 766 HG3 GLN 96 3HG GLN 96 10.448 -5.575 0.538 767 HE21 GLN 96 2HE2 GLN 96 8.186 -5.587 1.294 768 HE22 GLN 96 1HE2 GLN 96 6.979 -6.424 0.305 769 H LEU 97 H LEU 97 10.229 -1.094 1.290 770 HA LEU 97 HA LEU 97 11.293 1.075 -0.437 771 HB2 LEU 97 2HB LEU 97 9.060 0.502 -1.189 772 HB3 LEU 97 3HB LEU 97 8.404 0.697 0.432 773 HG LEU 97 HG LEU 97 8.740 3.098 0.364 774 HD11 LEU 97 1HD1 LEU 97 9.663 4.229 -1.653 775 HD12 LEU 97 2HD1 LEU 97 10.884 3.290 -0.797 776 HD13 LEU 97 3HD1 LEU 97 10.166 2.641 -2.291 777 HD21 LEU 97 3HD2 LEU 97 7.667 2.075 -2.297 778 HD22 LEU 97 1HD2 LEU 97 6.769 2.168 -0.769 779 HD23 LEU 97 2HD2 LEU 97 7.316 3.650 -1.560 780 HA PRO 98 HA PRO 98 11.888 2.043 4.006 781 HB2 PRO 98 2HB PRO 98 14.634 2.253 4.071 782 HB3 PRO 98 3HB PRO 98 13.732 0.728 4.237 783 HG2 PRO 98 2HG PRO 98 15.290 1.724 1.899 784 HG3 PRO 98 3HG PRO 98 14.851 0.045 2.353 785 HD2 PRO 98 2HD PRO 98 13.579 1.741 0.405 786 HD3 PRO 98 3HD PRO 98 13.122 0.094 0.915 787 H GLY 99 H GLY 99 12.575 4.066 5.085 788 HA2 GLY 99 2HA GLY 99 12.597 6.427 3.360 789 HA3 GLY 99 3HA GLY 99 12.489 6.380 5.118 790 H VAL 100 H VAL 100 13.958 8.105 5.157 791 HA VAL 100 HA VAL 100 16.564 8.231 4.151 792 HB VAL 100 HB VAL 100 15.494 9.336 6.777 793 HG11 VAL 100 1HG1 VAL 100 18.099 9.944 5.301 794 HG12 VAL 100 2HG1 VAL 100 17.416 10.948 6.604 795 HG13 VAL 100 3HG1 VAL 100 17.921 9.296 6.950 796 HG21 VAL 100 3HG2 VAL 100 15.929 10.598 4.031 797 HG22 VAL 100 1HG2 VAL 100 14.357 10.205 4.764 798 HG23 VAL 100 2HG2 VAL 100 15.374 11.451 5.488 799 H LYS 101 H LYS 101 18.473 7.538 4.646 800 HA LYS 101 HA LYS 101 18.690 5.244 6.520 801 HB2 LYS 101 2HB LYS 101 18.784 5.203 3.858 802 HB3 LYS 101 3HB LYS 101 20.486 5.610 4.126 803 HG2 LYS 101 2HG LYS 101 20.687 3.612 5.594 804 HG3 LYS 101 3HG LYS 101 18.959 3.281 5.362 805 HD2 LYS 101 2HD LYS 101 19.326 2.985 2.934 806 HD3 LYS 101 3HD LYS 101 21.049 3.322 3.123 807 HE2 LYS 101 2HE LYS 101 19.571 1.010 4.467 808 HE3 LYS 101 3HE LYS 101 20.419 0.878 2.925 809 HZ1 LYS 101 3HZ LYS 101 21.841 0.161 4.734 810 HZ2 LYS 101 1HZ LYS 101 22.480 1.502 4.063 811 HZ3 LYS 101 2HZ LYS 101 21.709 1.595 5.503 812 H SER 102 H SER 102 19.638 8.285 6.824 813 HA SER 102 HA SER 102 22.459 8.226 7.194 814 HB2 SER 102 2HB SER 102 22.110 10.355 8.400 815 HB3 SER 102 3HB SER 102 21.244 10.289 6.857 816 HG SER 102 HG SER 102 19.951 11.103 8.605 817 H GLU 103 H GLU 103 20.024 6.925 9.264 818 HA GLU 103 HA GLU 103 21.380 6.994 11.787 819 HB2 GLU 103 2HB GLU 103 19.031 6.595 11.564 820 HB3 GLU 103 3HB GLU 103 19.270 5.166 10.577 821 HG2 GLU 103 2HG GLU 103 20.524 5.095 13.309 822 HG3 GLU 103 3HG GLU 103 18.770 5.186 13.262 823 H GLY 104 H GLY 104 21.741 4.826 9.003 824 HA2 GLY 104 2HA GLY 104 23.480 3.531 8.344 825 HA3 GLY 104 3HA GLY 104 24.435 4.433 9.514 826 H LYS 105 H LYS 105 22.076 2.595 11.155 827 HA LYS 105 HA LYS 105 24.061 0.413 11.787 828 HB2 LYS 105 2HB LYS 105 22.359 2.150 13.610 829 HB3 LYS 105 3HB LYS 105 23.196 0.694 14.157 830 HG2 LYS 105 2HG LYS 105 25.368 1.610 13.547 831 HG3 LYS 105 3HG LYS 105 24.631 3.073 12.891 832 HD2 LYS 105 2HD LYS 105 24.433 2.207 15.805 833 HD3 LYS 105 3HD LYS 105 25.610 3.363 15.162 834 HE2 LYS 105 2HE LYS 105 23.739 4.808 14.355 835 HE3 LYS 105 3HE LYS 105 22.576 3.690 15.076 836 HZ1 LYS 105 3HZ LYS 105 23.573 4.161 17.254 837 HZ2 LYS 105 1HZ LYS 105 24.645 5.199 16.586 838 HZ3 LYS 105 2HZ LYS 105 23.052 5.546 16.567 839 H ARG 106 H ARG 106 20.767 1.072 11.031 840 HA ARG 106 HA ARG 106 19.352 -0.880 12.297 841 HB2 ARG 106 2HB ARG 106 18.586 1.023 10.778 842 HB3 ARG 106 3HB ARG 106 18.868 -0.029 9.408 843 HG2 ARG 106 2HG ARG 106 16.490 0.153 10.134 844 HG3 ARG 106 3HG ARG 106 17.078 -1.502 10.080 845 HD2 ARG 106 2HD ARG 106 15.621 -0.988 12.037 846 HD3 ARG 106 3HD ARG 106 17.200 -1.644 12.476 847 HE ARG 106 HE ARG 106 17.616 1.094 12.611 848 HH11 ARG 106 1HH2 ARG 106 15.316 -1.013 14.246 849 HH12 ARG 106 2HH2 ARG 106 15.280 0.024 15.647 850 HH21 ARG 106 1HH1 ARG 106 17.557 2.258 14.304 851 HH22 ARG 106 2HH1 ARG 106 16.534 1.890 15.699 852 H LYS 107 H LYS 107 21.604 -1.669 9.802 853 HA LYS 107 HA LYS 107 20.679 -4.278 9.017 854 HB2 LYS 107 2HB LYS 107 23.441 -3.016 9.259 855 HB3 LYS 107 3HB LYS 107 23.211 -4.683 8.727 856 HG2 LYS 107 2HG LYS 107 21.822 -3.971 6.844 857 HG3 LYS 107 3HG LYS 107 21.894 -2.290 7.382 858 HD2 LYS 107 2HD LYS 107 23.416 -2.629 5.528 859 HD3 LYS 107 3HD LYS 107 24.325 -2.233 6.992 860 HE2 LYS 107 2HE LYS 107 24.888 -4.630 7.300 861 HE3 LYS 107 3HE LYS 107 23.932 -5.052 5.874 862 HZ1 LYS 107 3HZ LYS 107 26.344 -4.831 5.391 863 HZ2 LYS 107 1HZ LYS 107 25.463 -3.763 4.519 864 HZ3 LYS 107 2HZ LYS 107 26.309 -3.264 5.828 865 H GLY 108 H GLY 108 22.237 -3.225 12.027 866 HA2 GLY 108 2HA GLY 108 22.582 -4.336 14.008 867 HA3 GLY 108 3HA GLY 108 21.290 -5.427 13.495 868 H ASP 109 H ASP 109 24.440 -5.067 11.898 869 HA ASP 109 HA ASP 109 25.987 -6.522 11.228 870 HB2 ASP 109 2HB ASP 109 26.503 -6.396 13.679 871 HB3 ASP 109 3HB ASP 109 25.673 -7.937 13.885 872 H GLU 110 H GLU 110 23.162 -7.169 10.619 873 HA GLU 110 HA GLU 110 23.630 -9.906 9.515 874 HB2 GLU 110 2HB GLU 110 20.999 -8.740 10.524 875 HB3 GLU 110 3HB GLU 110 21.167 -10.239 9.610 876 HG2 GLU 110 2HG GLU 110 22.644 -11.154 11.411 877 HG3 GLU 110 3HG GLU 110 22.331 -9.707 12.371 878 H VAL 111 H VAL 111 22.120 -10.256 7.571 879 HA VAL 111 HA VAL 111 21.811 -9.835 5.372 880 HB VAL 111 HB VAL 111 20.764 -7.089 6.113 881 HG11 VAL 111 1HG1 VAL 111 19.175 -7.559 4.283 882 HG12 VAL 111 2HG1 VAL 111 20.827 -7.676 3.678 883 HG13 VAL 111 3HG1 VAL 111 19.909 -9.155 4.024 884 HG21 VAL 111 3HG2 VAL 111 19.359 -9.781 6.414 885 HG22 VAL 111 1HG2 VAL 111 19.736 -8.626 7.716 886 HG23 VAL 111 2HG2 VAL 111 18.561 -8.193 6.479 887 H ASP 112 H ASP 112 24.293 -9.801 5.704 888 HA ASP 112 HA ASP 112 25.473 -7.517 4.192 889 HB2 ASP 112 2HB ASP 112 25.819 -7.228 6.647 890 HB3 ASP 112 3HB ASP 112 26.653 -8.778 6.699 Start of MODEL 26 1 H1 GLY 1 H1 GLY 1 -0.074 17.784 22.734 2 H2 GLY 1 H2 GLY 1 -1.352 18.507 22.006 3 H3 GLY 1 H3 GLY 1 0.124 18.541 21.296 4 HA2 GLY 1 2HA GLY 1 -1.517 16.130 21.736 5 HA3 GLY 1 3HA GLY 1 -1.281 16.943 20.179 6 H SER 2 H SER 2 -0.507 14.840 19.437 7 HA SER 2 HA SER 2 1.786 13.521 20.479 8 HB2 SER 2 2HB SER 2 0.679 13.468 17.647 9 HB3 SER 2 3HB SER 2 1.778 12.278 18.369 10 HG SER 2 HG SER 2 -0.424 11.607 18.463 11 H LYS 3 H LYS 3 3.927 13.384 19.780 12 HA LYS 3 HA LYS 3 5.166 15.863 18.914 13 HB2 LYS 3 2HB LYS 3 6.356 13.081 19.305 14 HB3 LYS 3 3HB LYS 3 7.280 14.561 19.114 15 HG2 LYS 3 2HG LYS 3 5.440 13.852 21.438 16 HG3 LYS 3 3HG LYS 3 7.196 13.893 21.454 17 HD2 LYS 3 2HD LYS 3 5.351 16.303 21.146 18 HD3 LYS 3 3HD LYS 3 6.258 15.837 22.587 19 HE2 LYS 3 2HE LYS 3 8.397 16.119 21.332 20 HE3 LYS 3 3HE LYS 3 7.486 16.647 19.912 21 HZ1 LYS 3 3HZ LYS 3 7.497 18.034 22.540 22 HZ2 LYS 3 1HZ LYS 3 8.281 18.540 21.203 23 HZ3 LYS 3 2HZ LYS 3 6.650 18.523 21.231 24 H ALA 4 H ALA 4 4.111 13.087 17.149 25 HA ALA 4 HA ALA 4 4.871 14.387 14.620 26 HB1 ALA 4 1HB ALA 4 5.599 11.491 15.267 27 HB2 ALA 4 2HB ALA 4 5.798 12.291 13.692 28 HB3 ALA 4 3HB ALA 4 6.748 12.836 15.085 29 H GLU 5 H GLU 5 3.621 13.654 12.820 30 HA GLU 5 HA GLU 5 0.978 12.494 13.567 31 HB2 GLU 5 2HB GLU 5 0.053 13.730 11.743 32 HB3 GLU 5 3HB GLU 5 1.011 14.802 12.759 33 HG2 GLU 5 2HG GLU 5 2.907 14.608 11.104 34 HG3 GLU 5 3HG GLU 5 1.859 13.641 10.066 35 H LYS 6 H LYS 6 3.702 11.280 12.324 36 HA LYS 6 HA LYS 6 4.372 9.658 10.887 37 HB2 LYS 6 2HB LYS 6 1.676 8.458 11.569 38 HB3 LYS 6 3HB LYS 6 3.018 7.606 10.789 39 HG2 LYS 6 2HG LYS 6 4.466 8.108 12.760 40 HG3 LYS 6 3HG LYS 6 3.083 8.848 13.576 41 HD2 LYS 6 2HD LYS 6 3.261 5.940 12.669 42 HD3 LYS 6 3HD LYS 6 3.502 6.531 14.320 43 HE2 LYS 6 2HE LYS 6 1.161 7.445 14.302 44 HE3 LYS 6 3HE LYS 6 0.923 6.734 12.699 45 HZ1 LYS 6 3HZ LYS 6 1.371 4.539 13.690 46 HZ2 LYS 6 1HZ LYS 6 1.544 5.209 15.171 47 HZ3 LYS 6 2HZ LYS 6 0.093 5.257 14.423 48 H THR 7 H THR 7 1.312 8.816 9.564 49 HA THR 7 HA THR 7 2.033 8.585 7.012 50 HB THR 7 HB THR 7 -0.675 9.641 7.797 51 HG1 THR 7 1HG THR 7 -1.164 7.666 8.498 52 HG21 THR 7 1HG2 THR 7 -0.005 8.984 5.248 53 HG22 THR 7 2HG2 THR 7 -0.369 7.395 5.851 54 HG23 THR 7 3HG2 THR 7 -1.578 8.703 5.939 55 H LEU 8 H LEU 8 2.173 9.671 5.116 56 HA LEU 8 HA LEU 8 2.288 12.597 5.196 57 HB2 LEU 8 2HB LEU 8 2.928 12.580 2.911 58 HB3 LEU 8 3HB LEU 8 3.928 11.538 3.883 59 HG LEU 8 HG LEU 8 3.226 9.589 2.817 60 HD11 LEU 8 1HD1 LEU 8 0.845 9.649 2.793 61 HD12 LEU 8 2HD1 LEU 8 0.839 11.056 1.657 62 HD13 LEU 8 3HD1 LEU 8 1.379 9.453 1.141 63 HD21 LEU 8 3HD2 LEU 8 4.643 11.018 1.450 64 HD22 LEU 8 1HD2 LEU 8 3.533 10.129 0.402 65 HD23 LEU 8 2HD2 LEU 8 3.219 11.827 0.753 66 H GLY 9 H GLY 9 -0.419 10.685 4.968 67 HA2 GLY 9 2HA GLY 9 -2.582 11.475 4.975 68 HA3 GLY 9 3HA GLY 9 -2.029 13.038 4.387 69 H ASP 10 H ASP 10 -1.135 10.236 2.458 70 HA ASP 10 HA ASP 10 -3.419 10.652 0.647 71 HB2 ASP 10 2HB ASP 10 -1.073 11.988 0.180 72 HB3 ASP 10 3HB ASP 10 -0.784 10.495 -0.720 73 H PHE 11 H PHE 11 -1.481 8.311 2.158 74 HA PHE 11 HA PHE 11 -2.813 6.272 0.570 75 HB2 PHE 11 2HB PHE 11 -0.620 4.992 0.223 76 HB3 PHE 11 3HB PHE 11 -1.085 6.262 -0.865 77 HD1 PHE 11 HD2 PHE 11 0.858 6.356 2.413 78 HD2 PHE 11 HD1 PHE 11 0.755 7.182 -1.826 79 HE1 PHE 11 HE2 PHE 11 3.217 7.080 2.486 80 HE2 PHE 11 HE1 PHE 11 3.087 8.001 -1.715 81 HZ PHE 11 HZ PHE 11 4.333 7.911 0.436 82 H ALA 12 H ALA 12 -2.661 4.120 1.355 83 HA ALA 12 HA ALA 12 -2.416 3.928 4.313 84 HB1 ALA 12 1HB ALA 12 -4.725 3.124 4.415 85 HB2 ALA 12 2HB ALA 12 -4.690 4.734 3.660 86 HB3 ALA 12 3HB ALA 12 -4.888 3.288 2.657 87 H ALA 13 H ALA 13 -2.547 1.796 5.158 88 HA ALA 13 HA ALA 13 -2.096 -0.492 3.297 89 HB1 ALA 13 1HB ALA 13 -0.490 0.224 5.793 90 HB2 ALA 13 2HB ALA 13 -0.178 -1.121 4.659 91 HB3 ALA 13 3HB ALA 13 0.013 0.568 4.132 92 H GLU 14 H GLU 14 -2.952 -2.533 4.018 93 HA GLU 14 HA GLU 14 -3.898 -2.924 6.719 94 HB2 GLU 14 2HB GLU 14 -6.234 -3.270 6.210 95 HB3 GLU 14 3HB GLU 14 -5.810 -1.609 5.822 96 HG2 GLU 14 2HG GLU 14 -5.806 -2.092 3.445 97 HG3 GLU 14 3HG GLU 14 -5.960 -3.825 3.731 98 H TYR 15 H TYR 15 -4.991 -5.175 6.821 99 HA TYR 15 HA TYR 15 -3.906 -7.028 4.780 100 HB2 TYR 15 2HB TYR 15 -5.567 -7.503 7.269 101 HB3 TYR 15 3HB TYR 15 -4.969 -8.753 6.181 102 HD1 TYR 15 HD1 TYR 15 -2.320 -8.410 5.585 103 HD2 TYR 15 HD2 TYR 15 -4.222 -6.983 9.163 104 HE1 TYR 15 HE1 TYR 15 -0.204 -8.805 6.865 105 HE2 TYR 15 HE2 TYR 15 -2.110 -7.336 10.432 106 HH TYR 15 HH TYR 15 0.823 -8.703 8.863 107 H ALA 16 H ALA 16 -4.987 -7.871 3.171 108 HA ALA 16 HA ALA 16 -7.196 -6.613 2.069 109 HB1 ALA 16 1HB ALA 16 -5.916 -9.338 1.606 110 HB2 ALA 16 2HB ALA 16 -7.053 -8.593 0.476 111 HB3 ALA 16 3HB ALA 16 -5.478 -7.824 0.809 112 H LYS 17 H LYS 17 -9.264 -6.613 2.571 113 HA LYS 17 HA LYS 17 -10.386 -8.578 4.358 114 HB2 LYS 17 2HB LYS 17 -11.672 -6.231 2.899 115 HB3 LYS 17 3HB LYS 17 -12.450 -7.189 4.165 116 HG2 LYS 17 2HG LYS 17 -10.607 -6.567 5.743 117 HG3 LYS 17 3HG LYS 17 -9.935 -5.492 4.516 118 HD2 LYS 17 2HD LYS 17 -12.720 -5.286 5.734 119 HD3 LYS 17 3HD LYS 17 -11.339 -4.314 6.222 120 HE2 LYS 17 2HE LYS 17 -12.491 -4.306 3.394 121 HE3 LYS 17 3HE LYS 17 -13.015 -3.203 4.665 122 HZ1 LYS 17 3HZ LYS 17 -10.748 -2.344 4.806 123 HZ2 LYS 17 1HZ LYS 17 -10.202 -3.352 3.672 124 HZ3 LYS 17 2HZ LYS 17 -11.293 -2.198 3.277 125 H SER 18 H SER 18 -10.834 -8.009 0.878 126 HA SER 18 HA SER 18 -12.202 -10.632 0.595 127 HB2 SER 18 2HB SER 18 -13.324 -7.992 -0.446 128 HB3 SER 18 3HB SER 18 -13.953 -9.605 -0.832 129 HG SER 18 HG SER 18 -15.119 -8.589 0.870 130 H ASN 19 H ASN 19 -11.863 -11.615 -1.397 131 HA ASN 19 HA ASN 19 -9.680 -10.611 -3.019 132 HB2 ASN 19 2HB ASN 19 -10.015 -12.986 -2.314 133 HB3 ASN 19 3HB ASN 19 -11.439 -13.078 -3.352 134 HD21 ASN 19 2HD2 ASN 19 -8.127 -11.678 -3.944 135 HD22 ASN 19 1HD2 ASN 19 -7.679 -12.949 -5.070 136 H ARG 20 H ARG 20 -12.661 -9.510 -3.074 137 HA ARG 20 HA ARG 20 -13.358 -9.391 -5.908 138 HB2 ARG 20 2HB ARG 20 -14.189 -7.737 -3.471 139 HB3 ARG 20 3HB ARG 20 -14.939 -7.611 -5.064 140 HG2 ARG 20 2HG ARG 20 -14.978 -10.083 -3.275 141 HG3 ARG 20 3HG ARG 20 -16.298 -8.938 -3.518 142 HD2 ARG 20 2HD ARG 20 -16.346 -9.528 -5.942 143 HD3 ARG 20 3HD ARG 20 -15.084 -10.745 -5.648 144 HE ARG 20 HE ARG 20 -17.206 -11.236 -3.831 145 HH11 ARG 20 1HH2 ARG 20 -16.701 -11.456 -7.293 146 HH12 ARG 20 2HH2 ARG 20 -17.883 -12.723 -7.476 147 HH21 ARG 20 1HH1 ARG 20 -18.701 -12.852 -4.137 148 HH22 ARG 20 2HH1 ARG 20 -18.983 -13.486 -5.731 149 H SER 21 H SER 21 -11.255 -7.519 -3.826 150 HA SER 21 HA SER 21 -11.143 -5.189 -5.555 151 HB2 SER 21 2HB SER 21 -9.098 -5.819 -3.453 152 HB3 SER 21 3HB SER 21 -9.710 -4.247 -3.970 153 HG SER 21 HG SER 21 -11.728 -4.799 -2.986 154 H THR 22 H THR 22 -9.064 -4.324 -6.434 155 HA THR 22 HA THR 22 -7.364 -6.411 -7.710 156 HB THR 22 HB THR 22 -9.011 -4.337 -9.154 157 HG1 THR 22 1HG THR 22 -10.168 -6.093 -9.953 158 HG21 THR 22 1HG2 THR 22 -8.345 -5.390 -11.246 159 HG22 THR 22 2HG2 THR 22 -6.894 -4.876 -10.382 160 HG23 THR 22 3HG2 THR 22 -7.379 -6.589 -10.376 161 H CYS 23 HN CYS 23 -5.391 -5.736 -8.265 162 HA CYS 23 HA CYS 23 -4.402 -3.275 -7.137 163 HB2 CYS 23 2HB CYS 23 -3.111 -5.222 -6.868 164 HB3 CYS 23 3HB CYS 23 -3.334 -5.684 -8.553 165 H LYS 24 H LYS 24 -4.621 -1.424 -8.169 166 HA LYS 24 HA LYS 24 -4.845 -1.094 -11.079 167 HB2 LYS 24 2HB LYS 24 -4.642 0.759 -8.696 168 HB3 LYS 24 3HB LYS 24 -4.460 1.382 -10.336 169 HG2 LYS 24 2HG LYS 24 -6.738 1.654 -9.731 170 HG3 LYS 24 3HG LYS 24 -6.639 0.437 -10.991 171 HD2 LYS 24 2HD LYS 24 -7.119 -1.346 -9.428 172 HD3 LYS 24 3HD LYS 24 -6.845 -0.283 -8.043 173 HE2 LYS 24 2HE LYS 24 -9.208 -0.639 -8.272 174 HE3 LYS 24 3HE LYS 24 -8.845 1.046 -8.638 175 HZ1 LYS 24 3HZ LYS 24 -9.013 0.478 -11.023 176 HZ2 LYS 24 1HZ LYS 24 -9.376 -1.079 -10.653 177 HZ3 LYS 24 2HZ LYS 24 -10.397 0.117 -10.243 178 H GLY 25 H GLY 25 -2.200 -1.665 -9.074 179 HA2 GLY 25 2HA GLY 25 -0.131 -0.271 -10.569 180 HA3 GLY 25 3HA GLY 25 0.087 -1.590 -9.414 181 H CYS 26 HN CYS 26 -1.605 -3.485 -10.856 182 HA CYS 26 HA CYS 26 -0.243 -3.788 -13.479 183 HB2 CYS 26 2HB CYS 26 0.443 -6.035 -13.096 184 HB3 CYS 26 3HB CYS 26 1.093 -5.030 -11.801 185 H MET 27 H MET 27 -3.209 -3.892 -11.987 186 HA MET 27 HA MET 27 -5.258 -4.521 -12.519 187 HB2 MET 27 2HB MET 27 -4.262 -4.864 -15.354 188 HB3 MET 27 3HB MET 27 -5.952 -4.833 -14.871 189 HG2 MET 27 2HG MET 27 -4.194 -2.489 -14.134 190 HG3 MET 27 3HG MET 27 -4.704 -2.697 -15.795 191 HE1 MET 27 3HE MET 27 -7.685 -1.920 -12.321 192 HE2 MET 27 1HE MET 27 -7.250 -3.595 -12.709 193 HE3 MET 27 2HE MET 27 -6.005 -2.471 -12.119 194 H GLU 28 H GLU 28 -4.171 -6.289 -11.056 195 HA GLU 28 HA GLU 28 -5.527 -8.753 -11.969 196 HB2 GLU 28 2HB GLU 28 -2.723 -8.788 -10.777 197 HB3 GLU 28 3HB GLU 28 -3.797 -10.180 -10.903 198 HG2 GLU 28 2HG GLU 28 -3.895 -9.790 -13.409 199 HG3 GLU 28 3HG GLU 28 -2.618 -8.586 -13.208 200 H LYS 29 H LYS 29 -6.294 -10.078 -10.201 201 HA LYS 29 HA LYS 29 -7.484 -8.423 -8.203 202 HB2 LYS 29 2HB LYS 29 -8.354 -10.579 -7.259 203 HB3 LYS 29 3HB LYS 29 -8.787 -10.227 -8.930 204 HG2 LYS 29 2HG LYS 29 -7.370 -11.897 -9.809 205 HG3 LYS 29 3HG LYS 29 -6.392 -11.996 -8.343 206 HD2 LYS 29 2HD LYS 29 -7.832 -13.970 -8.652 207 HD3 LYS 29 3HD LYS 29 -8.118 -13.120 -7.136 208 HE2 LYS 29 2HE LYS 29 -10.121 -12.014 -8.144 209 HE3 LYS 29 3HE LYS 29 -9.854 -12.930 -9.637 210 HZ1 LYS 29 3HZ LYS 29 -10.365 -14.121 -6.958 211 HZ2 LYS 29 1HZ LYS 29 -11.475 -14.015 -8.160 212 HZ3 LYS 29 2HZ LYS 29 -10.166 -14.975 -8.342 213 H ILE 30 H ILE 30 -7.124 -8.085 -6.108 214 HA ILE 30 HA ILE 30 -4.538 -8.961 -5.003 215 HB ILE 30 HB ILE 30 -6.654 -7.049 -3.991 216 HG12 ILE 30 2HG1 ILE 30 -3.753 -6.531 -4.803 217 HG13 ILE 30 3HG1 ILE 30 -5.063 -6.477 -5.969 218 HG21 ILE 30 1HG2 ILE 30 -3.959 -7.760 -2.727 219 HG22 ILE 30 2HG2 ILE 30 -5.040 -6.453 -2.218 220 HG23 ILE 30 3HG2 ILE 30 -5.543 -8.137 -2.022 221 HD11 ILE 30 3HD1 ILE 30 -4.847 -4.682 -3.526 222 HD12 ILE 30 1HD1 ILE 30 -4.535 -4.252 -5.212 223 HD13 ILE 30 2HD1 ILE 30 -6.179 -4.689 -4.717 224 H GLU 31 H GLU 31 -4.214 -10.613 -3.698 225 HA GLU 31 HA GLU 31 -6.306 -12.456 -3.037 226 HB2 GLU 31 2HB GLU 31 -3.409 -12.349 -2.167 227 HB3 GLU 31 3HB GLU 31 -4.502 -13.709 -1.895 228 HG2 GLU 31 2HG GLU 31 -3.636 -12.629 -4.614 229 HG3 GLU 31 3HG GLU 31 -3.008 -14.060 -3.815 230 H LYS 32 H LYS 32 -7.240 -13.017 -1.195 231 HA LYS 32 HA LYS 32 -7.641 -11.002 0.851 232 HB2 LYS 32 2HB LYS 32 -9.419 -12.506 0.036 233 HB3 LYS 32 3HB LYS 32 -8.562 -13.903 0.705 234 HG2 LYS 32 2HG LYS 32 -8.853 -13.007 2.991 235 HG3 LYS 32 3HG LYS 32 -9.632 -11.552 2.332 236 HD2 LYS 32 2HD LYS 32 -11.465 -12.921 1.439 237 HD3 LYS 32 3HD LYS 32 -10.659 -14.402 2.007 238 HE2 LYS 32 2HE LYS 32 -10.815 -13.603 4.345 239 HE3 LYS 32 3HE LYS 32 -11.586 -12.110 3.795 240 HZ1 LYS 32 3HZ LYS 32 -12.735 -14.831 3.456 241 HZ2 LYS 32 1HZ LYS 32 -13.226 -13.730 4.555 242 HZ3 LYS 32 2HZ LYS 32 -13.445 -13.440 2.967 243 H GLY 33 H GLY 33 -7.133 -11.020 2.989 244 HA2 GLY 33 2HA GLY 33 -6.126 -11.543 4.983 245 HA3 GLY 33 3HA GLY 33 -5.693 -13.122 4.334 246 H GLN 34 H GLN 34 -4.174 -11.393 2.111 247 HA GLN 34 HA GLN 34 -1.688 -10.990 3.690 248 HB2 GLN 34 2HB GLN 34 -0.479 -11.059 1.605 249 HB3 GLN 34 3HB GLN 34 -1.431 -12.501 1.887 250 HG2 GLN 34 2HG GLN 34 -1.625 -12.095 -0.416 251 HG3 GLN 34 3HG GLN 34 -3.164 -11.599 0.254 252 HE21 GLN 34 1HE2 GLN 34 -3.826 -9.447 -0.187 253 HE22 GLN 34 2HE2 GLN 34 -2.694 -8.184 -0.706 254 H VAL 35 H VAL 35 -0.303 -9.048 2.953 255 HA VAL 35 HA VAL 35 -1.813 -6.718 3.702 256 HB VAL 35 HB VAL 35 1.024 -6.919 2.632 257 HG11 VAL 35 1HG1 VAL 35 1.345 -4.738 3.795 258 HG12 VAL 35 2HG1 VAL 35 0.268 -4.602 2.412 259 HG13 VAL 35 3HG1 VAL 35 -0.404 -4.629 4.063 260 HG21 VAL 35 3HG2 VAL 35 1.688 -6.732 4.992 261 HG22 VAL 35 1HG2 VAL 35 -0.010 -6.687 5.495 262 HG23 VAL 35 2HG2 VAL 35 0.679 -8.158 4.769 263 H ARG 36 H ARG 36 -2.635 -5.042 2.566 264 HA ARG 36 HA ARG 36 -1.941 -4.714 -0.297 265 HB2 ARG 36 2HB ARG 36 -4.209 -4.163 -0.926 266 HB3 ARG 36 3HB ARG 36 -4.062 -5.829 -0.348 267 HG2 ARG 36 2HG ARG 36 -5.162 -5.325 1.726 268 HG3 ARG 36 3HG ARG 36 -5.031 -3.590 1.457 269 HD2 ARG 36 2HD ARG 36 -7.294 -4.253 1.076 270 HD3 ARG 36 3HD ARG 36 -6.570 -3.711 -0.443 271 HE ARG 36 HE ARG 36 -6.211 -6.387 -0.619 272 HH11 ARG 36 1HH2 ARG 36 -9.056 -4.462 -0.017 273 HH12 ARG 36 2HH2 ARG 36 -10.052 -5.484 -1.017 274 HH21 ARG 36 1HH1 ARG 36 -7.638 -7.813 -1.653 275 HH22 ARG 36 2HH1 ARG 36 -9.338 -7.487 -1.585 276 H LEU 37 H LEU 37 -1.896 -2.610 -1.047 277 HA LEU 37 HA LEU 37 -2.040 -0.462 1.024 278 HB2 LEU 37 2HB LEU 37 -0.256 -0.401 -1.423 279 HB3 LEU 37 3HB LEU 37 -0.294 0.679 -0.008 280 HG LEU 37 HG LEU 37 1.672 -0.443 0.162 281 HD11 LEU 37 1HD1 LEU 37 -0.098 -2.031 2.033 282 HD12 LEU 37 2HD1 LEU 37 1.599 -1.558 2.249 283 HD13 LEU 37 3HD1 LEU 37 0.329 -0.320 2.214 284 HD21 LEU 37 3HD2 LEU 37 0.369 -3.183 -0.110 285 HD22 LEU 37 1HD2 LEU 37 1.242 -2.328 -1.404 286 HD23 LEU 37 2HD2 LEU 37 2.081 -2.794 0.088 287 H SER 38 H SER 38 -2.796 1.632 0.300 288 HA SER 38 HA SER 38 -3.830 1.755 -2.439 289 HB2 SER 38 2HB SER 38 -5.985 2.764 -1.727 290 HB3 SER 38 3HB SER 38 -5.804 1.085 -1.247 291 HG SER 38 HG SER 38 -6.564 2.199 0.518 292 H LYS 39 H LYS 39 -4.269 3.792 -3.282 293 HA LYS 39 HA LYS 39 -3.120 6.138 -1.807 294 HB2 LYS 39 2HB LYS 39 -1.844 5.683 -3.782 295 HB3 LYS 39 3HB LYS 39 -3.298 5.618 -4.790 296 HG2 LYS 39 2HG LYS 39 -3.682 7.957 -4.623 297 HG3 LYS 39 3HG LYS 39 -2.524 8.143 -3.280 298 HD2 LYS 39 2HD LYS 39 -0.660 7.592 -4.725 299 HD3 LYS 39 3HD LYS 39 -1.755 7.209 -6.067 300 HE2 LYS 39 2HE LYS 39 -0.935 9.305 -6.627 301 HE3 LYS 39 3HE LYS 39 -2.531 9.656 -5.958 302 HZ1 LYS 39 3HZ LYS 39 -0.712 11.118 -5.126 303 HZ2 LYS 39 1HZ LYS 39 -1.480 10.376 -3.907 304 HZ3 LYS 39 2HZ LYS 39 0.001 9.834 -4.400 305 H LYS 40 H LYS 40 -4.404 7.722 -1.283 306 HA LYS 40 HA LYS 40 -7.284 7.624 -2.029 307 HB2 LYS 40 2HB LYS 40 -6.993 7.511 0.262 308 HB3 LYS 40 3HB LYS 40 -5.766 8.744 0.315 309 HG2 LYS 40 2HG LYS 40 -8.677 9.302 -0.491 310 HG3 LYS 40 3HG LYS 40 -8.138 9.282 1.182 311 HD2 LYS 40 2HD LYS 40 -7.429 11.300 -0.951 312 HD3 LYS 40 3HD LYS 40 -8.208 11.547 0.611 313 HE2 LYS 40 2HE LYS 40 -6.133 11.032 1.794 314 HE3 LYS 40 3HE LYS 40 -5.339 10.625 0.258 315 HZ1 LYS 40 3HZ LYS 40 -4.880 12.867 1.226 316 HZ2 LYS 40 1HZ LYS 40 -5.160 12.783 -0.358 317 HZ3 LYS 40 2HZ LYS 40 -6.353 13.348 0.670 318 H MET 41 H MET 41 -7.853 8.845 -3.737 319 HA MET 41 HA MET 41 -6.928 11.619 -3.954 320 HB2 MET 41 2HB MET 41 -5.908 11.397 -6.174 321 HB3 MET 41 3HB MET 41 -5.011 10.484 -4.964 322 HG2 MET 41 2HG MET 41 -6.109 8.390 -5.727 323 HG3 MET 41 3HG MET 41 -7.006 9.308 -6.942 324 HE1 MET 41 3HE MET 41 -5.438 6.761 -7.635 325 HE2 MET 41 1HE MET 41 -6.331 7.762 -8.813 326 HE3 MET 41 2HE MET 41 -4.659 7.247 -9.159 327 H VAL 42 H VAL 42 -8.350 12.939 -5.202 328 HA VAL 42 HA VAL 42 -10.769 12.031 -6.249 329 HB VAL 42 HB VAL 42 -9.149 14.373 -7.314 330 HG11 VAL 42 1HG1 VAL 42 -11.039 13.841 -8.783 331 HG12 VAL 42 2HG1 VAL 42 -12.142 13.781 -7.389 332 HG13 VAL 42 3HG1 VAL 42 -11.387 15.312 -7.881 333 HG21 VAL 42 3HG2 VAL 42 -11.186 14.283 -5.048 334 HG22 VAL 42 1HG2 VAL 42 -9.448 14.628 -4.891 335 HG23 VAL 42 2HG2 VAL 42 -10.489 15.754 -5.751 336 H ASP 43 H ASP 43 -11.365 10.905 -8.036 337 HA ASP 43 HA ASP 43 -9.364 9.913 -9.916 338 HB2 ASP 43 2HB ASP 43 -11.260 8.542 -9.155 339 HB3 ASP 43 3HB ASP 43 -12.392 9.651 -9.926 340 HA PRO 44 HA PRO 44 -9.760 13.472 -12.535 341 HB2 PRO 44 2HB PRO 44 -8.192 12.734 -14.672 342 HB3 PRO 44 3HB PRO 44 -7.529 13.082 -13.046 343 HG2 PRO 44 2HG PRO 44 -8.268 10.364 -14.200 344 HG3 PRO 44 3HG PRO 44 -6.723 10.847 -13.417 345 HD2 PRO 44 2HD PRO 44 -8.663 9.577 -12.045 346 HD3 PRO 44 3HD PRO 44 -7.716 10.894 -11.285 347 H GLU 45 H GLU 45 -11.098 10.442 -13.540 348 HA GLU 45 HA GLU 45 -12.569 11.743 -15.814 349 HB2 GLU 45 2HB GLU 45 -12.105 8.802 -15.187 350 HB3 GLU 45 3HB GLU 45 -13.126 9.427 -16.487 351 HG2 GLU 45 2HG GLU 45 -11.144 10.604 -17.458 352 HG3 GLU 45 3HG GLU 45 -10.120 9.871 -16.222 353 H LYS 46 H LYS 46 -12.865 10.825 -12.584 354 HA LYS 46 HA LYS 46 -15.827 11.198 -12.625 355 HB2 LYS 46 2HB LYS 46 -14.321 9.030 -11.114 356 HB3 LYS 46 3HB LYS 46 -16.000 9.434 -10.817 357 HG2 LYS 46 2HG LYS 46 -15.047 8.420 -13.525 358 HG3 LYS 46 3HG LYS 46 -15.503 7.382 -12.189 359 HD2 LYS 46 2HD LYS 46 -17.435 7.450 -13.427 360 HD3 LYS 46 3HD LYS 46 -17.761 8.597 -12.124 361 HE2 LYS 46 2HE LYS 46 -17.272 10.481 -13.666 362 HE3 LYS 46 3HE LYS 46 -16.824 9.341 -14.936 363 HZ1 LYS 46 3HZ LYS 46 -19.534 9.570 -13.734 364 HZ2 LYS 46 1HZ LYS 46 -19.104 10.126 -15.207 365 HZ3 LYS 46 2HZ LYS 46 -19.118 8.522 -14.917 366 HA PRO 47 HA PRO 47 -13.376 13.731 -9.484 367 HB2 PRO 47 2HB PRO 47 -13.898 16.283 -10.361 368 HB3 PRO 47 3HB PRO 47 -12.542 15.279 -10.958 369 HG2 PRO 47 2HG PRO 47 -15.288 15.628 -12.218 370 HG3 PRO 47 3HG PRO 47 -13.679 15.773 -13.006 371 HD2 PRO 47 2HD PRO 47 -15.097 13.483 -13.167 372 HD3 PRO 47 3HD PRO 47 -13.322 13.452 -12.931 373 H GLN 48 H GLN 48 -16.660 13.799 -10.685 374 HA GLN 48 HA GLN 48 -17.948 15.345 -8.682 375 HB2 GLN 48 2HB GLN 48 -18.873 14.578 -10.873 376 HB3 GLN 48 3HB GLN 48 -18.983 12.930 -10.231 377 HG2 GLN 48 2HG GLN 48 -20.603 13.700 -8.523 378 HG3 GLN 48 3HG GLN 48 -20.417 15.368 -9.075 379 HE21 GLN 48 2HE2 GLN 48 -22.943 14.761 -9.071 380 HE22 GLN 48 1HE2 GLN 48 -23.532 14.267 -10.653 381 H LEU 49 H LEU 49 -16.602 12.072 -8.489 382 HA LEU 49 HA LEU 49 -17.984 11.224 -6.072 383 HB2 LEU 49 2HB LEU 49 -15.245 10.549 -7.243 384 HB3 LEU 49 3HB LEU 49 -15.985 9.692 -5.902 385 HG LEU 49 HG LEU 49 -17.106 9.763 -8.735 386 HD11 LEU 49 1HD1 LEU 49 -16.266 7.447 -8.807 387 HD12 LEU 49 2HD1 LEU 49 -14.935 8.577 -8.465 388 HD13 LEU 49 3HD1 LEU 49 -15.636 7.619 -7.147 389 HD21 LEU 49 3HD2 LEU 49 -18.523 7.887 -7.872 390 HD22 LEU 49 1HD2 LEU 49 -17.910 8.216 -6.231 391 HD23 LEU 49 2HD2 LEU 49 -18.886 9.432 -7.086 392 H GLY 50 H GLY 50 -15.244 13.361 -6.678 393 HA2 GLY 50 2HA GLY 50 -13.600 14.231 -5.290 394 HA3 GLY 50 3HA GLY 50 -14.454 13.624 -3.867 395 H MET 51 H MET 51 -12.838 12.525 -2.943 396 HA MET 51 HA MET 51 -10.789 11.152 -4.288 397 HB2 MET 51 2HB MET 51 -11.166 11.027 -1.306 398 HB3 MET 51 3HB MET 51 -9.685 11.099 -2.261 399 HG2 MET 51 2HG MET 51 -10.612 13.495 -2.953 400 HG3 MET 51 3HG MET 51 -11.622 13.304 -1.525 401 HE1 MET 51 3HE MET 51 -8.101 12.842 -2.838 402 HE2 MET 51 1HE MET 51 -8.312 14.601 -2.923 403 HE3 MET 51 2HE MET 51 -7.096 13.916 -1.825 404 H ILE 52 H ILE 52 -10.418 9.072 -4.651 405 HA ILE 52 HA ILE 52 -12.103 7.005 -3.344 406 HB ILE 52 HB ILE 52 -11.670 5.603 -5.420 407 HG12 ILE 52 2HG1 ILE 52 -11.433 6.764 -7.562 408 HG13 ILE 52 3HG1 ILE 52 -11.072 8.283 -6.751 409 HG21 ILE 52 1HG2 ILE 52 -13.420 8.060 -5.720 410 HG22 ILE 52 2HG2 ILE 52 -13.588 6.506 -6.571 411 HG23 ILE 52 3HG2 ILE 52 -13.824 6.576 -4.818 412 HD11 ILE 52 3HD1 ILE 52 -8.943 7.393 -5.948 413 HD12 ILE 52 1HD1 ILE 52 -9.389 5.758 -6.473 414 HD13 ILE 52 2HD1 ILE 52 -9.075 7.047 -7.666 415 H ASP 53 H ASP 53 -11.066 4.821 -3.377 416 HA ASP 53 HA ASP 53 -8.262 5.051 -2.367 417 HB2 ASP 53 2HB ASP 53 -10.434 3.034 -1.686 418 HB3 ASP 53 3HB ASP 53 -8.790 3.049 -1.047 419 H ARG 54 H ARG 54 -7.155 4.752 -4.208 420 HA ARG 54 HA ARG 54 -7.636 2.585 -6.135 421 HB2 ARG 54 2HB ARG 54 -6.332 5.062 -6.196 422 HB3 ARG 54 3HB ARG 54 -4.974 3.975 -6.059 423 HG2 ARG 54 2HG ARG 54 -5.367 4.447 -8.362 424 HG3 ARG 54 3HG ARG 54 -5.748 2.745 -8.076 425 HD2 ARG 54 2HD ARG 54 -8.091 3.135 -8.292 426 HD3 ARG 54 3HD ARG 54 -7.925 4.817 -7.779 427 HE ARG 54 HE ARG 54 -6.654 4.422 -10.336 428 HH11 ARG 54 1HH2 ARG 54 -9.871 4.823 -8.924 429 HH12 ARG 54 2HH2 ARG 54 -10.333 5.914 -10.235 430 HH21 ARG 54 1HH1 ARG 54 -7.522 5.751 -12.013 431 HH22 ARG 54 2HH1 ARG 54 -9.170 6.342 -11.793 432 H TRP 55 H TRP 55 -7.164 0.460 -5.555 433 HA TRP 55 HA TRP 55 -5.134 -0.019 -3.471 434 HB2 TRP 55 2HB TRP 55 -7.098 -1.892 -4.802 435 HB3 TRP 55 3HB TRP 55 -5.939 -2.359 -3.562 436 HD1 TRP 55 HD1 TRP 55 -9.280 -0.702 -3.984 437 HE1 TRP 55 HE1 TRP 55 -10.279 -0.067 -1.714 438 HE3 TRP 55 HE3 TRP 55 -5.216 -1.677 -0.985 439 HZ2 TRP 55 HZ2 TRP 55 -9.395 0.143 1.022 440 HZ3 TRP 55 HZ3 TRP 55 -5.298 -1.133 1.422 441 HH2 TRP 55 HH2 TRP 55 -7.377 -0.234 2.444 442 H TYR 56 H TYR 56 -3.460 -1.469 -3.579 443 HA TYR 56 HA TYR 56 -2.318 -2.347 -6.163 444 HB2 TYR 56 2HB TYR 56 -0.882 -0.704 -4.033 445 HB3 TYR 56 3HB TYR 56 -0.172 -1.325 -5.515 446 HD1 TYR 56 HD1 TYR 56 -0.899 -0.408 -7.723 447 HD2 TYR 56 HD2 TYR 56 -2.160 1.362 -4.024 448 HE1 TYR 56 HE1 TYR 56 -1.595 1.646 -8.963 449 HE2 TYR 56 HE2 TYR 56 -2.868 3.409 -5.252 450 HH TYR 56 HH TYR 56 -2.513 3.738 -8.796 451 H HIS 57 H HIS 57 -0.715 -3.927 -5.954 452 HA HIS 57 HA HIS 57 -0.786 -5.775 -3.670 453 HB2 HIS 57 2HB HIS 57 0.938 -5.681 -6.143 454 HB3 HIS 57 3HB HIS 57 1.151 -6.892 -4.919 455 HD2 HIS 57 HD2 HIS 57 -1.327 -8.319 -4.319 456 HE1 HIS 57 HE1 HIS 57 -2.453 -8.290 -8.416 457 HE2 HIS 57 HE2 HIS 57 -2.846 -9.408 -6.197 458 HA PRO 58 HA PRO 58 2.817 -4.120 -1.483 459 HB2 PRO 58 2HB PRO 58 4.010 -6.367 -0.461 460 HB3 PRO 58 3HB PRO 58 2.487 -5.665 0.164 461 HG2 PRO 58 2HG PRO 58 2.819 -7.947 -1.806 462 HG3 PRO 58 3HG PRO 58 1.772 -7.882 -0.349 463 HD2 PRO 58 2HD PRO 58 0.783 -7.392 -2.815 464 HD3 PRO 58 3HD PRO 58 0.230 -6.436 -1.420 465 H GLY 59 H GLY 59 3.311 -6.389 -4.116 466 HA2 GLY 59 2HA GLY 59 6.157 -5.668 -4.469 467 HA3 GLY 59 3HA GLY 59 5.150 -6.612 -5.570 468 H CYS 60 HN CYS 60 3.040 -4.924 -6.126 469 HA CYS 60 HA CYS 60 4.210 -3.348 -8.138 470 HB2 CYS 60 2HB CYS 60 1.330 -3.385 -7.167 471 HB3 CYS 60 3HB CYS 60 1.900 -2.862 -8.757 472 H PHE 61 H PHE 61 2.736 -2.330 -5.015 473 HA PHE 61 HA PHE 61 2.600 0.426 -5.708 474 HB2 PHE 61 2HB PHE 61 1.898 0.795 -3.628 475 HB3 PHE 61 3HB PHE 61 1.678 -0.939 -3.632 476 HD1 PHE 61 HD1 PHE 61 3.577 -2.378 -2.655 477 HD2 PHE 61 HD2 PHE 61 3.358 1.866 -2.111 478 HE1 PHE 61 HE1 PHE 61 4.918 -2.592 -0.548 479 HE2 PHE 61 HE2 PHE 61 4.596 1.660 0.045 480 HZ PHE 61 HZ PHE 61 5.376 -0.570 0.826 481 H VAL 62 H VAL 62 5.327 -1.492 -4.511 482 HA VAL 62 HA VAL 62 7.269 0.631 -4.371 483 HB VAL 62 HB VAL 62 7.820 -2.233 -5.216 484 HG11 VAL 62 1HG1 VAL 62 9.569 -0.141 -3.862 485 HG12 VAL 62 2HG1 VAL 62 10.034 -1.821 -4.196 486 HG13 VAL 62 3HG1 VAL 62 9.737 -0.717 -5.535 487 HG21 VAL 62 3HG2 VAL 62 7.750 -1.121 -2.381 488 HG22 VAL 62 1HG2 VAL 62 6.592 -2.285 -3.065 489 HG23 VAL 62 2HG2 VAL 62 8.284 -2.734 -2.885 490 H LYS 63 H LYS 63 6.224 -1.391 -7.150 491 HA LYS 63 HA LYS 63 8.131 -0.427 -9.029 492 HB2 LYS 63 2HB LYS 63 6.763 -2.458 -9.335 493 HB3 LYS 63 3HB LYS 63 5.302 -1.477 -9.446 494 HG2 LYS 63 2HG LYS 63 6.130 -0.427 -11.529 495 HG3 LYS 63 3HG LYS 63 7.604 -1.396 -11.419 496 HD2 LYS 63 2HD LYS 63 6.024 -2.377 -13.013 497 HD3 LYS 63 3HD LYS 63 6.305 -3.458 -11.656 498 HE2 LYS 63 2HE LYS 63 3.963 -3.486 -12.293 499 HE3 LYS 63 3HE LYS 63 4.132 -2.857 -10.658 500 HZ1 LYS 63 3HZ LYS 63 2.576 -1.610 -12.157 501 HZ2 LYS 63 1HZ LYS 63 3.683 -0.650 -11.458 502 HZ3 LYS 63 2HZ LYS 63 3.848 -1.095 -13.038 503 H ASN 64 H ASN 64 5.078 1.006 -7.998 504 HA ASN 64 HA ASN 64 5.589 3.382 -9.734 505 HB2 ASN 64 2HB ASN 64 2.957 3.612 -8.890 506 HB3 ASN 64 3HB ASN 64 3.561 3.224 -10.480 507 HD21 ASN 64 1HD2 ASN 64 2.140 1.909 -7.552 508 HD22 ASN 64 2HD2 ASN 64 1.660 0.387 -8.327 509 H ARG 65 H ARG 65 6.640 2.658 -6.869 510 HA ARG 65 HA ARG 65 5.771 4.140 -4.874 511 HB2 ARG 65 2HB ARG 65 7.856 2.860 -4.766 512 HB3 ARG 65 3HB ARG 65 8.630 3.882 -5.976 513 HG2 ARG 65 2HG ARG 65 8.598 5.778 -4.318 514 HG3 ARG 65 3HG ARG 65 7.954 4.624 -3.126 515 HD2 ARG 65 2HD ARG 65 10.018 3.295 -3.337 516 HD3 ARG 65 3HD ARG 65 10.658 4.486 -4.490 517 HE ARG 65 HE ARG 65 10.077 6.121 -2.435 518 HH11 ARG 65 1HH2 ARG 65 11.938 3.142 -2.323 519 HH12 ARG 65 2HH2 ARG 65 12.538 3.532 -0.714 520 HH21 ARG 65 1HH1 ARG 65 10.935 6.479 -0.352 521 HH22 ARG 65 2HH1 ARG 65 12.020 5.260 0.277 522 H GLU 66 H GLU 66 7.854 5.604 -7.369 523 HA GLU 66 HA GLU 66 7.593 8.207 -6.244 524 HB2 GLU 66 2HB GLU 66 8.861 9.001 -8.197 525 HB3 GLU 66 3HB GLU 66 9.607 7.618 -7.399 526 HG2 GLU 66 2HG GLU 66 8.751 6.103 -9.152 527 HG3 GLU 66 3HG GLU 66 7.935 7.454 -9.946 528 H GLU 67 H GLU 67 5.678 6.527 -8.595 529 HA GLU 67 HA GLU 67 4.270 8.855 -9.648 530 HB2 GLU 67 2HB GLU 67 4.651 6.827 -10.983 531 HB3 GLU 67 3HB GLU 67 3.645 5.894 -9.869 532 HG2 GLU 67 2HG GLU 67 1.682 7.223 -10.438 533 HG3 GLU 67 3HG GLU 67 2.662 8.323 -11.415 534 H LEU 68 H LEU 68 3.715 6.371 -7.127 535 HA LEU 68 HA LEU 68 1.141 7.382 -6.272 536 HB2 LEU 68 2HB LEU 68 3.256 5.798 -4.753 537 HB3 LEU 68 3HB LEU 68 1.603 6.066 -4.211 538 HG LEU 68 HG LEU 68 2.447 4.456 -6.653 539 HD11 LEU 68 1HD1 LEU 68 2.877 3.340 -4.514 540 HD12 LEU 68 2HD1 LEU 68 1.204 3.651 -3.997 541 HD13 LEU 68 3HD1 LEU 68 1.523 2.566 -5.362 542 HD21 LEU 68 3HD2 LEU 68 0.287 5.528 -7.117 543 HD22 LEU 68 1HD2 LEU 68 0.115 3.799 -6.852 544 HD23 LEU 68 2HD2 LEU 68 -0.345 4.930 -5.561 545 H GLY 69 H GLY 69 4.370 8.537 -5.747 546 HA2 GLY 69 2HA GLY 69 4.644 10.858 -5.122 547 HA3 GLY 69 3HA GLY 69 3.285 10.732 -4.010 548 H PHE 70 H PHE 70 5.313 7.984 -3.735 549 HA PHE 70 HA PHE 70 6.473 8.805 -1.197 550 HB2 PHE 70 2HB PHE 70 6.877 6.487 -3.060 551 HB3 PHE 70 3HB PHE 70 7.916 6.700 -1.668 552 HD1 PHE 70 HD2 PHE 70 7.047 6.438 0.619 553 HD2 PHE 70 HD1 PHE 70 4.673 5.513 -2.849 554 HE1 PHE 70 HE2 PHE 70 5.638 4.965 2.007 555 HE2 PHE 70 HE1 PHE 70 3.206 4.082 -1.445 556 HZ PHE 70 HZ PHE 70 3.715 3.773 0.965 557 H ARG 71 H ARG 71 8.629 9.162 -0.764 558 HA ARG 71 HA ARG 71 10.578 9.859 -2.884 559 HB2 ARG 71 2HB ARG 71 9.671 11.724 -0.626 560 HB3 ARG 71 3HB ARG 71 10.994 12.065 -1.716 561 HG2 ARG 71 2HG ARG 71 8.080 11.835 -2.554 562 HG3 ARG 71 3HG ARG 71 8.992 13.319 -2.319 563 HD2 ARG 71 2HD ARG 71 10.525 12.729 -4.137 564 HD3 ARG 71 3HD ARG 71 9.711 11.194 -4.389 565 HE ARG 71 HE ARG 71 8.686 13.903 -5.053 566 HH11 ARG 71 1HH2 ARG 71 7.967 10.461 -5.148 567 HH12 ARG 71 2HH2 ARG 71 6.879 10.657 -6.517 568 HH21 ARG 71 1HH1 ARG 71 7.197 14.057 -6.692 569 HH22 ARG 71 2HH1 ARG 71 6.406 12.624 -7.283 570 HA PRO 72 HA PRO 72 13.465 7.923 -0.389 571 HB2 PRO 72 2HB PRO 72 15.134 10.361 0.173 572 HB3 PRO 72 3HB PRO 72 15.623 8.772 -0.495 573 HG2 PRO 72 2HG PRO 72 15.309 10.903 -2.151 574 HG3 PRO 72 3HG PRO 72 14.652 9.301 -2.633 575 HD2 PRO 72 2HD PRO 72 13.167 11.623 -1.346 576 HD3 PRO 72 3HD PRO 72 12.704 10.657 -2.777 577 H GLU 73 H GLU 73 12.358 10.825 1.310 578 HA GLU 73 HA GLU 73 13.094 9.754 3.960 579 HB2 GLU 73 2HB GLU 73 12.362 11.861 4.835 580 HB3 GLU 73 3HB GLU 73 13.474 12.120 3.492 581 HG2 GLU 73 2HG GLU 73 11.488 12.547 1.990 582 HG3 GLU 73 3HG GLU 73 10.442 12.388 3.402 583 H TYR 74 H TYR 74 10.527 9.384 1.788 584 HA TYR 74 HA TYR 74 8.622 8.655 3.940 585 HB2 TYR 74 2HB TYR 74 8.100 8.653 0.976 586 HB3 TYR 74 3HB TYR 74 6.927 8.534 2.274 587 HD1 TYR 74 HD2 TYR 74 8.136 10.948 3.979 588 HD2 TYR 74 HD1 TYR 74 7.066 10.455 -0.169 589 HE1 TYR 74 HE2 TYR 74 7.874 13.405 3.721 590 HE2 TYR 74 HE1 TYR 74 6.899 12.847 -0.453 591 HH TYR 74 HH TYR 74 7.010 14.927 0.592 592 H SER 75 H SER 75 9.910 6.979 4.680 593 HA SER 75 HA SER 75 9.983 4.430 3.231 594 HB2 SER 75 2HB SER 75 11.343 5.086 5.313 595 HB3 SER 75 3HB SER 75 9.849 4.852 6.236 596 HG SER 75 HG SER 75 11.178 2.965 6.135 597 H ALA 76 H ALA 76 8.647 2.606 4.195 598 HA ALA 76 HA ALA 76 5.907 2.919 3.587 599 HB1 ALA 76 1HB ALA 76 7.167 0.790 3.525 600 HB2 ALA 76 2HB ALA 76 7.205 0.767 5.303 601 HB3 ALA 76 3HB ALA 76 5.653 0.663 4.442 602 H SER 77 H SER 77 7.416 3.739 6.590 603 HA SER 77 HA SER 77 5.211 3.475 8.378 604 HB2 SER 77 2HB SER 77 6.537 5.195 9.691 605 HB3 SER 77 3HB SER 77 7.444 3.743 9.226 606 HG SER 77 HG SER 77 8.576 5.740 8.819 607 H GLN 78 H GLN 78 5.645 5.634 5.712 608 HA GLN 78 HA GLN 78 3.924 7.690 6.775 609 HB2 GLN 78 2HB GLN 78 5.151 7.353 4.018 610 HB3 GLN 78 3HB GLN 78 4.276 8.773 4.598 611 HG2 GLN 78 2HG GLN 78 6.925 7.753 5.696 612 HG3 GLN 78 3HG GLN 78 6.640 9.196 4.719 613 HE21 GLN 78 2HE2 GLN 78 5.287 10.973 5.689 614 HE22 GLN 78 1HE2 GLN 78 5.096 11.012 7.440 615 H LEU 79 H LEU 79 3.063 4.712 5.907 616 HA LEU 79 HA LEU 79 0.576 5.404 4.425 617 HB2 LEU 79 2HB LEU 79 1.851 2.783 5.301 618 HB3 LEU 79 3HB LEU 79 0.290 2.883 4.506 619 HG LEU 79 HG LEU 79 2.738 4.034 3.131 620 HD11 LEU 79 1HD1 LEU 79 1.904 1.114 3.095 621 HD12 LEU 79 2HD1 LEU 79 3.054 1.863 1.982 622 HD13 LEU 79 3HD1 LEU 79 3.425 1.771 3.709 623 HD21 LEU 79 3HD2 LEU 79 0.325 2.610 1.959 624 HD22 LEU 79 1HD2 LEU 79 0.322 4.336 2.334 625 HD23 LEU 79 2HD2 LEU 79 1.464 3.713 1.152 626 H LYS 80 H LYS 80 -1.406 5.464 5.320 627 HA LYS 80 HA LYS 80 -1.847 5.520 8.136 628 HB2 LYS 80 2HB LYS 80 -3.921 4.875 5.990 629 HB3 LYS 80 3HB LYS 80 -4.248 5.358 7.652 630 HG2 LYS 80 2HG LYS 80 -3.014 7.507 7.181 631 HG3 LYS 80 3HG LYS 80 -2.993 7.039 5.467 632 HD2 LYS 80 2HD LYS 80 -5.462 7.489 7.211 633 HD3 LYS 80 3HD LYS 80 -4.818 8.626 6.020 634 HE2 LYS 80 2HE LYS 80 -5.246 6.995 4.204 635 HE3 LYS 80 3HE LYS 80 -5.877 5.836 5.384 636 HZ1 LYS 80 3HZ LYS 80 -7.641 7.422 5.919 637 HZ2 LYS 80 1HZ LYS 80 -7.068 8.504 4.837 638 HZ3 LYS 80 2HZ LYS 80 -7.676 7.076 4.326 639 H GLY 81 H GLY 81 -2.492 3.967 9.594 640 HA2 GLY 81 2HA GLY 81 -3.054 1.904 10.492 641 HA3 GLY 81 3HA GLY 81 -3.563 1.393 8.883 642 H PHE 82 H PHE 82 -0.312 2.274 8.578 643 HA PHE 82 HA PHE 82 0.727 -0.322 8.197 644 HB2 PHE 82 2HB PHE 82 1.848 1.521 7.237 645 HB3 PHE 82 3HB PHE 82 1.881 2.420 8.743 646 HD1 PHE 82 HD1 PHE 82 3.505 2.019 10.482 647 HD2 PHE 82 HD2 PHE 82 3.664 -0.102 6.733 648 HE1 PHE 82 HE1 PHE 82 5.862 1.376 10.947 649 HE2 PHE 82 HE2 PHE 82 6.026 -0.725 7.193 650 HZ PHE 82 HZ PHE 82 7.120 0.009 9.292 651 H SER 83 H SER 83 0.865 1.800 11.087 652 HA SER 83 HA SER 83 2.404 0.189 12.772 653 HB2 SER 83 2HB SER 83 0.118 2.041 13.540 654 HB3 SER 83 3HB SER 83 1.467 1.549 14.585 655 HG SER 83 HG SER 83 2.884 2.606 13.105 656 H LEU 84 H LEU 84 -0.932 -0.326 11.870 657 HA LEU 84 HA LEU 84 -1.566 -2.004 14.223 658 HB2 LEU 84 2HB LEU 84 -3.163 -0.878 11.898 659 HB3 LEU 84 3HB LEU 84 -3.794 -2.163 12.909 660 HG LEU 84 HG LEU 84 -3.647 -0.775 14.914 661 HD11 LEU 84 1HD1 LEU 84 -3.342 1.704 14.674 662 HD12 LEU 84 2HD1 LEU 84 -1.855 0.790 14.453 663 HD13 LEU 84 3HD1 LEU 84 -2.718 1.436 13.031 664 HD21 LEU 84 3HD2 LEU 84 -5.487 0.745 14.327 665 HD22 LEU 84 1HD2 LEU 84 -5.106 0.569 12.599 666 HD23 LEU 84 2HD2 LEU 84 -5.697 -0.823 13.535 667 H LEU 85 H LEU 85 -0.045 -2.542 11.254 668 HA LEU 85 HA LEU 85 -1.033 -5.264 10.767 669 HB2 LEU 85 2HB LEU 85 1.438 -3.792 9.805 670 HB3 LEU 85 3HB LEU 85 0.922 -5.363 9.216 671 HG LEU 85 HG LEU 85 -0.769 -2.840 8.925 672 HD11 LEU 85 1HD1 LEU 85 1.076 -4.189 6.908 673 HD12 LEU 85 2HD1 LEU 85 0.022 -2.789 6.601 674 HD13 LEU 85 3HD1 LEU 85 1.391 -2.638 7.714 675 HD21 LEU 85 3HD2 LEU 85 -2.101 -4.856 8.742 676 HD22 LEU 85 1HD2 LEU 85 -1.890 -4.116 7.152 677 HD23 LEU 85 2HD2 LEU 85 -0.943 -5.549 7.577 678 H ALA 86 H ALA 86 0.684 -7.090 10.780 679 HA ALA 86 HA ALA 86 1.762 -7.462 13.442 680 HB1 ALA 86 1HB ALA 86 2.266 -9.029 10.877 681 HB2 ALA 86 2HB ALA 86 2.600 -9.574 12.534 682 HB3 ALA 86 3HB ALA 86 0.923 -9.319 12.007 683 H THR 87 H THR 87 3.958 -7.521 14.098 684 HA THR 87 HA THR 87 5.668 -5.513 13.195 685 HB THR 87 HB THR 87 6.558 -8.077 14.542 686 HG1 THR 87 1HG THR 87 6.027 -7.004 16.458 687 HG21 THR 87 1HG2 THR 87 8.189 -6.568 15.680 688 HG22 THR 87 2HG2 THR 87 8.430 -6.575 13.928 689 HG23 THR 87 3HG2 THR 87 7.601 -5.205 14.697 690 H GLU 88 H GLU 88 5.678 -8.960 12.195 691 HA GLU 88 HA GLU 88 8.051 -8.799 10.597 692 HB2 GLU 88 2HB GLU 88 7.355 -10.905 9.648 693 HB3 GLU 88 3HB GLU 88 7.125 -10.904 11.395 694 HG2 GLU 88 2HG GLU 88 4.671 -10.445 11.027 695 HG3 GLU 88 3HG GLU 88 4.942 -10.582 9.288 696 H ASP 89 H ASP 89 4.709 -7.868 9.848 697 HA ASP 89 HA ASP 89 5.325 -7.448 6.988 698 HB2 ASP 89 2HB ASP 89 2.857 -6.914 8.667 699 HB3 ASP 89 3HB ASP 89 3.010 -6.454 6.973 700 H LYS 90 H LYS 90 5.028 -5.490 9.945 701 HA LYS 90 HA LYS 90 5.443 -2.909 8.712 702 HB2 LYS 90 2HB LYS 90 5.930 -4.005 11.504 703 HB3 LYS 90 3HB LYS 90 6.243 -2.313 11.083 704 HG2 LYS 90 2HG LYS 90 4.000 -1.839 10.621 705 HG3 LYS 90 3HG LYS 90 3.568 -3.530 10.393 706 HD2 LYS 90 2HD LYS 90 2.565 -2.754 12.405 707 HD3 LYS 90 3HD LYS 90 3.782 -3.973 12.791 708 HE2 LYS 90 2HE LYS 90 5.359 -2.193 13.476 709 HE3 LYS 90 3HE LYS 90 4.175 -0.961 13.010 710 HZ1 LYS 90 3HZ LYS 90 3.771 -2.994 15.146 711 HZ2 LYS 90 1HZ LYS 90 4.066 -1.410 15.402 712 HZ3 LYS 90 2HZ LYS 90 2.658 -1.881 14.703 713 H GLU 91 H GLU 91 7.747 -5.393 9.794 714 HA GLU 91 HA GLU 91 10.086 -3.864 8.907 715 HB2 GLU 91 2HB GLU 91 9.674 -6.821 9.473 716 HB3 GLU 91 3HB GLU 91 11.221 -6.107 9.017 717 HG2 GLU 91 2HG GLU 91 9.624 -5.349 11.505 718 HG3 GLU 91 3HG GLU 91 10.983 -6.460 11.465 719 H ALA 92 H ALA 92 8.206 -6.562 7.368 720 HA ALA 92 HA ALA 92 9.795 -6.612 5.038 721 HB1 ALA 92 1HB ALA 92 8.301 -8.425 5.735 722 HB2 ALA 92 2HB ALA 92 6.883 -7.409 5.362 723 HB3 ALA 92 3HB ALA 92 7.981 -7.926 4.065 724 H LEU 93 H LEU 93 6.977 -4.511 5.715 725 HA LEU 93 HA LEU 93 6.758 -3.502 3.018 726 HB2 LEU 93 2HB LEU 93 5.857 -2.507 5.737 727 HB3 LEU 93 3HB LEU 93 5.624 -1.548 4.281 728 HG LEU 93 HG LEU 93 4.468 -4.337 4.645 729 HD11 LEU 93 1HD1 LEU 93 2.343 -3.106 4.943 730 HD12 LEU 93 2HD1 LEU 93 3.512 -2.667 6.193 731 HD13 LEU 93 3HD1 LEU 93 3.206 -1.563 4.827 732 HD21 LEU 93 3HD2 LEU 93 4.780 -3.811 2.270 733 HD22 LEU 93 1HD2 LEU 93 3.075 -3.655 2.677 734 HD23 LEU 93 2HD2 LEU 93 4.071 -2.197 2.503 735 H LYS 94 H LYS 94 8.725 -2.358 5.830 736 HA LYS 94 HA LYS 94 9.861 -0.139 4.340 737 HB2 LYS 94 2HB LYS 94 10.851 -1.618 6.814 738 HB3 LYS 94 3HB LYS 94 11.578 -0.156 6.127 739 HG2 LYS 94 2HG LYS 94 9.333 1.001 6.411 740 HG3 LYS 94 3HG LYS 94 8.786 -0.399 7.325 741 HD2 LYS 94 2HD LYS 94 11.097 1.469 7.995 742 HD3 LYS 94 3HD LYS 94 9.552 1.393 8.831 743 HE2 LYS 94 2HE LYS 94 11.592 -0.882 8.731 744 HE3 LYS 94 3HE LYS 94 11.504 0.308 10.026 745 HZ1 LYS 94 3HZ LYS 94 9.246 -1.492 9.318 746 HZ2 LYS 94 1HZ LYS 94 10.324 -1.784 10.521 747 HZ3 LYS 94 2HZ LYS 94 9.336 -0.481 10.616 748 H LYS 95 H LYS 95 10.844 -3.568 4.852 749 HA LYS 95 HA LYS 95 13.297 -3.381 3.418 750 HB2 LYS 95 2HB LYS 95 11.401 -5.722 3.805 751 HB3 LYS 95 3HB LYS 95 12.960 -5.874 2.997 752 HG2 LYS 95 2HG LYS 95 14.159 -5.109 4.973 753 HG3 LYS 95 3HG LYS 95 12.648 -4.822 5.841 754 HD2 LYS 95 2HD LYS 95 12.095 -7.243 5.693 755 HD3 LYS 95 3HD LYS 95 13.621 -7.528 4.826 756 HE2 LYS 95 2HE LYS 95 14.879 -6.627 6.785 757 HE3 LYS 95 3HE LYS 95 13.355 -6.388 7.648 758 HZ1 LYS 95 3HZ LYS 95 14.406 -8.487 8.273 759 HZ2 LYS 95 1HZ LYS 95 12.992 -8.806 7.522 760 HZ3 LYS 95 2HZ LYS 95 14.408 -9.015 6.732 761 H GLN 96 H GLN 96 10.079 -3.441 2.147 762 HA GLN 96 HA GLN 96 10.960 -3.837 -0.662 763 HB2 GLN 96 2HB GLN 96 8.267 -3.762 0.744 764 HB3 GLN 96 3HB GLN 96 8.422 -3.801 -1.008 765 HG2 GLN 96 2HG GLN 96 9.578 -5.923 -0.978 766 HG3 GLN 96 3HG GLN 96 9.685 -5.910 0.783 767 HE21 GLN 96 2HE2 GLN 96 7.592 -5.903 1.996 768 HE22 GLN 96 1HE2 GLN 96 6.250 -6.824 1.298 769 H LEU 97 H LEU 97 9.459 -1.356 1.427 770 HA LEU 97 HA LEU 97 10.054 0.748 -0.602 771 HB2 LEU 97 2HB LEU 97 7.594 -0.032 -0.130 772 HB3 LEU 97 3HB LEU 97 7.757 0.810 1.377 773 HG LEU 97 HG LEU 97 6.677 2.337 0.036 774 HD11 LEU 97 1HD1 LEU 97 9.570 3.102 -0.395 775 HD12 LEU 97 2HD1 LEU 97 8.174 4.161 -0.644 776 HD13 LEU 97 3HD1 LEU 97 8.530 3.559 0.974 777 HD21 LEU 97 3HD2 LEU 97 7.085 2.757 -2.298 778 HD22 LEU 97 1HD2 LEU 97 8.521 1.690 -2.287 779 HD23 LEU 97 2HD2 LEU 97 6.883 1.036 -2.041 780 HA PRO 98 HA PRO 98 12.105 1.572 3.479 781 HB2 PRO 98 2HB PRO 98 14.778 1.541 2.792 782 HB3 PRO 98 3HB PRO 98 13.841 0.080 3.172 783 HG2 PRO 98 2HG PRO 98 14.627 1.166 0.476 784 HG3 PRO 98 3HG PRO 98 14.477 -0.542 1.017 785 HD2 PRO 98 2HD PRO 98 12.566 0.832 -0.487 786 HD3 PRO 98 3HD PRO 98 12.290 -0.620 0.514 787 H GLY 99 H GLY 99 13.232 3.492 4.299 788 HA2 GLY 99 2HA GLY 99 13.214 5.853 2.539 789 HA3 GLY 99 3HA GLY 99 13.417 5.834 4.283 790 H VAL 100 H VAL 100 15.019 7.349 3.871 791 HA VAL 100 HA VAL 100 17.244 7.361 2.334 792 HB VAL 100 HB VAL 100 17.028 8.418 5.191 793 HG11 VAL 100 1HG1 VAL 100 18.939 9.256 2.971 794 HG12 VAL 100 2HG1 VAL 100 18.662 10.165 4.470 795 HG13 VAL 100 3HG1 VAL 100 19.364 8.562 4.571 796 HG21 VAL 100 3HG2 VAL 100 15.248 9.315 3.813 797 HG22 VAL 100 1HG2 VAL 100 16.440 10.576 4.068 798 HG23 VAL 100 2HG2 VAL 100 16.390 9.721 2.510 799 H LYS 101 H LYS 101 19.150 6.720 2.124 800 HA LYS 101 HA LYS 101 20.504 5.062 4.194 801 HB2 LYS 101 2HB LYS 101 19.416 3.921 2.035 802 HB3 LYS 101 3HB LYS 101 20.915 4.460 1.267 803 HG2 LYS 101 2HG LYS 101 22.166 3.302 3.166 804 HG3 LYS 101 3HG LYS 101 20.590 2.744 3.759 805 HD2 LYS 101 2HD LYS 101 20.207 1.498 1.659 806 HD3 LYS 101 3HD LYS 101 21.728 2.121 0.988 807 HE2 LYS 101 2HE LYS 101 22.976 1.000 2.843 808 HE3 LYS 101 3HE LYS 101 21.458 0.326 3.444 809 HZ1 LYS 101 3HZ LYS 101 21.238 -0.900 1.369 810 HZ2 LYS 101 1HZ LYS 101 22.594 -0.225 0.753 811 HZ3 LYS 101 2HZ LYS 101 22.701 -1.243 2.017 812 H SER 102 H SER 102 20.758 7.968 3.449 813 HA SER 102 HA SER 102 23.378 8.344 2.290 814 HB2 SER 102 2HB SER 102 21.736 10.215 4.036 815 HB3 SER 102 3HB SER 102 23.134 10.660 3.037 816 HG SER 102 HG SER 102 21.173 11.077 1.943 817 H GLU 103 H GLU 103 22.333 7.553 5.528 818 HA GLU 103 HA GLU 103 24.918 8.246 6.783 819 HB2 GLU 103 2HB GLU 103 22.441 6.847 7.861 820 HB3 GLU 103 3HB GLU 103 23.904 7.200 8.792 821 HG2 GLU 103 2HG GLU 103 23.598 9.635 8.324 822 HG3 GLU 103 3HG GLU 103 22.085 9.274 7.492 823 H GLY 104 H GLY 104 26.559 6.849 7.161 824 HA2 GLY 104 2HA GLY 104 26.667 4.396 5.667 825 HA3 GLY 104 3HA GLY 104 27.950 5.078 6.671 826 H LYS 105 H LYS 105 24.765 4.263 7.979 827 HA LYS 105 HA LYS 105 25.932 2.424 9.973 828 HB2 LYS 105 2HB LYS 105 23.044 3.275 9.470 829 HB3 LYS 105 3HB LYS 105 23.620 2.364 10.862 830 HG2 LYS 105 2HG LYS 105 24.371 5.240 10.178 831 HG3 LYS 105 3HG LYS 105 23.230 4.712 11.413 832 HD2 LYS 105 2HD LYS 105 25.093 3.527 12.601 833 HD3 LYS 105 3HD LYS 105 26.234 4.179 11.401 834 HE2 LYS 105 2HE LYS 105 25.562 6.487 12.012 835 HE3 LYS 105 3HE LYS 105 24.422 5.847 13.201 836 HZ1 LYS 105 3HZ LYS 105 26.520 6.481 14.244 837 HZ2 LYS 105 1HZ LYS 105 26.314 4.869 14.391 838 HZ3 LYS 105 2HZ LYS 105 27.369 5.464 13.293 839 H ARG 106 H ARG 106 24.392 2.160 6.907 840 HA ARG 106 HA ARG 106 24.714 -0.759 7.055 841 HB2 ARG 106 2HB ARG 106 22.210 0.140 7.371 842 HB3 ARG 106 3HB ARG 106 22.273 0.300 5.627 843 HG2 ARG 106 2HG ARG 106 21.435 -1.843 5.807 844 HG3 ARG 106 3HG ARG 106 23.152 -2.234 5.749 845 HD2 ARG 106 2HD ARG 106 21.363 -2.055 8.208 846 HD3 ARG 106 3HD ARG 106 22.038 -3.521 7.513 847 HE ARG 106 HE ARG 106 23.466 -1.441 9.099 848 HH11 ARG 106 1HH2 ARG 106 23.883 -4.547 7.432 849 HH12 ARG 106 2HH2 ARG 106 25.514 -4.676 8.106 850 HH21 ARG 106 1HH1 ARG 106 25.506 -1.772 9.782 851 HH22 ARG 106 2HH1 ARG 106 26.315 -3.296 9.360 852 H LYS 107 H LYS 107 26.514 0.983 5.999 853 HA LYS 107 HA LYS 107 26.678 -0.045 3.205 854 HB2 LYS 107 2HB LYS 107 27.158 2.828 4.084 855 HB3 LYS 107 3HB LYS 107 27.907 2.148 2.636 856 HG2 LYS 107 2HG LYS 107 25.725 1.591 1.685 857 HG3 LYS 107 3HG LYS 107 24.899 2.220 3.124 858 HD2 LYS 107 2HD LYS 107 25.619 4.464 2.687 859 HD3 LYS 107 3HD LYS 107 26.734 3.938 1.405 860 HE2 LYS 107 2HE LYS 107 24.907 3.219 -0.011 861 HE3 LYS 107 3HE LYS 107 23.726 3.486 1.283 862 HZ1 LYS 107 3HZ LYS 107 23.808 5.321 -0.355 863 HZ2 LYS 107 1HZ LYS 107 24.105 5.809 1.176 864 HZ3 LYS 107 2HZ LYS 107 25.342 5.673 0.093 865 H GLY 108 H GLY 108 28.805 -0.351 2.436 866 HA2 GLY 108 2HA GLY 108 31.005 -1.075 2.600 867 HA3 GLY 108 3HA GLY 108 31.121 -0.336 4.203 868 H ASP 109 H ASP 109 29.408 -1.575 5.767 869 HA ASP 109 HA ASP 109 30.412 -4.171 6.342 870 HB2 ASP 109 2HB ASP 109 29.410 -2.548 7.935 871 HB3 ASP 109 3HB ASP 109 27.838 -2.777 7.173 872 H GLU 110 H GLU 110 27.953 -3.326 4.044 873 HA GLU 110 HA GLU 110 26.876 -6.051 3.993 874 HB2 GLU 110 2HB GLU 110 26.360 -3.757 2.056 875 HB3 GLU 110 3HB GLU 110 25.459 -5.273 2.169 876 HG2 GLU 110 2HG GLU 110 24.941 -4.603 4.606 877 HG3 GLU 110 3HG GLU 110 25.516 -2.991 4.166 878 H VAL 111 H VAL 111 29.652 -4.612 2.667 879 HA VAL 111 HA VAL 111 29.891 -6.727 0.568 880 HB VAL 111 HB VAL 111 31.031 -5.121 -0.903 881 HG11 VAL 111 1HG1 VAL 111 29.074 -3.947 -1.700 882 HG12 VAL 111 2HG1 VAL 111 28.615 -5.577 -1.176 883 HG13 VAL 111 3HG1 VAL 111 28.241 -4.173 -0.150 884 HG21 VAL 111 3HG2 VAL 111 30.083 -2.942 1.005 885 HG22 VAL 111 1HG2 VAL 111 31.772 -3.463 0.814 886 HG23 VAL 111 2HG2 VAL 111 30.914 -2.723 -0.546 887 H ASP 112 H ASP 112 31.215 -5.718 3.363 888 HA ASP 112 HA ASP 112 34.043 -5.942 2.878 889 HB2 ASP 112 2HB ASP 112 33.095 -4.750 4.794 890 HB3 ASP 112 3HB ASP 112 32.419 -6.246 5.427 Start of MODEL 27 1 H1 GLY 1 H1 GLY 1 12.089 11.431 9.569 2 H2 GLY 1 H2 GLY 1 10.913 11.034 10.662 3 H3 GLY 1 H3 GLY 1 11.179 12.613 10.250 4 HA2 GLY 1 2HA GLY 1 10.621 11.991 7.915 5 HA3 GLY 1 3HA GLY 1 9.980 10.492 8.616 6 H SER 2 H SER 2 8.502 12.381 7.161 7 HA SER 2 HA SER 2 7.439 14.561 8.470 8 HB2 SER 2 2HB SER 2 6.070 12.858 6.356 9 HB3 SER 2 3HB SER 2 5.688 14.546 6.736 10 HG SER 2 HG SER 2 7.805 15.117 6.092 11 H LYS 3 H LYS 3 5.437 15.139 9.296 12 HA LYS 3 HA LYS 3 3.828 15.061 10.909 13 HB2 LYS 3 2HB LYS 3 2.948 12.554 9.440 14 HB3 LYS 3 3HB LYS 3 1.947 13.553 10.486 15 HG2 LYS 3 2HG LYS 3 3.129 14.381 7.803 16 HG3 LYS 3 3HG LYS 3 1.453 13.959 8.147 17 HD2 LYS 3 2HD LYS 3 1.281 15.909 9.696 18 HD3 LYS 3 3HD LYS 3 2.936 16.383 9.246 19 HE2 LYS 3 2HE LYS 3 2.245 16.543 6.868 20 HE3 LYS 3 3HE LYS 3 0.599 16.070 7.310 21 HZ1 LYS 3 3HZ LYS 3 0.804 18.482 7.122 22 HZ2 LYS 3 1HZ LYS 3 0.453 18.093 8.667 23 HZ3 LYS 3 2HZ LYS 3 1.974 18.531 8.257 24 H ALA 4 H ALA 4 6.213 14.093 11.853 25 HA ALA 4 HA ALA 4 7.218 12.887 13.490 26 HB1 ALA 4 1HB ALA 4 6.055 12.907 15.634 27 HB2 ALA 4 2HB ALA 4 5.769 14.422 14.759 28 HB3 ALA 4 3HB ALA 4 4.499 13.179 14.821 29 H GLU 5 H GLU 5 6.621 11.245 11.482 30 HA GLU 5 HA GLU 5 6.448 9.133 10.814 31 HB2 GLU 5 2HB GLU 5 6.840 8.168 13.624 32 HB3 GLU 5 3HB GLU 5 7.260 7.349 12.126 33 HG2 GLU 5 2HG GLU 5 8.618 9.820 13.284 34 HG3 GLU 5 3HG GLU 5 9.210 8.173 13.340 35 H LYS 6 H LYS 6 3.936 10.455 12.058 36 HA LYS 6 HA LYS 6 2.121 8.101 11.838 37 HB2 LYS 6 2HB LYS 6 1.801 10.034 13.512 38 HB3 LYS 6 3HB LYS 6 1.369 11.036 12.122 39 HG2 LYS 6 2HG LYS 6 -0.549 9.568 11.632 40 HG3 LYS 6 3HG LYS 6 -0.046 8.451 12.918 41 HD2 LYS 6 2HD LYS 6 -0.391 10.243 14.599 42 HD3 LYS 6 3HD LYS 6 -0.876 11.363 13.306 43 HE2 LYS 6 2HE LYS 6 -2.763 9.858 12.715 44 HE3 LYS 6 3HE LYS 6 -2.276 8.736 13.992 45 HZ1 LYS 6 3HZ LYS 6 -4.055 10.210 14.740 46 HZ2 LYS 6 1HZ LYS 6 -2.712 10.503 15.617 47 HZ3 LYS 6 2HZ LYS 6 -3.162 11.541 14.436 48 H THR 7 H THR 7 0.295 8.398 10.160 49 HA THR 7 HA THR 7 1.221 8.325 7.599 50 HB THR 7 HB THR 7 -1.542 9.361 8.202 51 HG1 THR 7 1HG THR 7 -2.147 7.377 8.793 52 HG21 THR 7 1HG2 THR 7 -2.243 8.203 6.278 53 HG22 THR 7 2HG2 THR 7 -0.714 8.867 5.762 54 HG23 THR 7 3HG2 THR 7 -0.775 7.194 6.230 55 H LEU 8 H LEU 8 1.520 9.668 5.853 56 HA LEU 8 HA LEU 8 1.601 12.551 6.281 57 HB2 LEU 8 2HB LEU 8 2.669 12.768 4.301 58 HB3 LEU 8 3HB LEU 8 3.169 11.165 4.786 59 HG LEU 8 HG LEU 8 1.056 11.883 2.691 60 HD11 LEU 8 1HD1 LEU 8 3.789 10.581 2.399 61 HD12 LEU 8 2HD1 LEU 8 2.652 10.964 1.094 62 HD13 LEU 8 3HD1 LEU 8 3.409 12.274 2.014 63 HD21 LEU 8 3HD2 LEU 8 2.082 9.147 3.510 64 HD22 LEU 8 1HD2 LEU 8 0.436 9.719 3.754 65 HD23 LEU 8 2HD2 LEU 8 1.043 9.476 2.115 66 H GLY 9 H GLY 9 -0.970 10.517 5.400 67 HA2 GLY 9 2HA GLY 9 -3.205 11.166 5.235 68 HA3 GLY 9 3HA GLY 9 -2.729 12.799 4.789 69 H ASP 10 H ASP 10 -1.240 10.220 2.866 70 HA ASP 10 HA ASP 10 -3.193 10.724 0.678 71 HB2 ASP 10 2HB ASP 10 -0.175 10.963 0.508 72 HB3 ASP 10 3HB ASP 10 -1.268 10.963 -0.874 73 H PHE 11 H PHE 11 -1.450 8.300 2.384 74 HA PHE 11 HA PHE 11 -2.636 6.340 0.604 75 HB2 PHE 11 2HB PHE 11 -0.394 5.032 0.497 76 HB3 PHE 11 3HB PHE 11 -0.807 6.245 -0.661 77 HD1 PHE 11 HD1 PHE 11 1.079 6.188 2.650 78 HD2 PHE 11 HD2 PHE 11 0.877 7.572 -1.432 79 HE1 PHE 11 HE1 PHE 11 3.364 7.110 2.842 80 HE2 PHE 11 HE2 PHE 11 3.131 8.571 -1.200 81 HZ PHE 11 HZ PHE 11 4.388 8.325 0.936 82 H ALA 12 H ALA 12 -2.684 4.200 1.402 83 HA ALA 12 HA ALA 12 -2.648 3.994 4.381 84 HB1 ALA 12 1HB ALA 12 -4.854 4.842 3.584 85 HB2 ALA 12 2HB ALA 12 -5.004 3.420 2.539 86 HB3 ALA 12 3HB ALA 12 -4.980 3.214 4.296 87 H ALA 13 H ALA 13 -2.779 1.841 5.230 88 HA ALA 13 HA ALA 13 -2.376 -0.429 3.343 89 HB1 ALA 13 1HB ALA 13 -0.743 0.180 5.845 90 HB2 ALA 13 2HB ALA 13 -0.480 -1.135 4.671 91 HB3 ALA 13 3HB ALA 13 -0.231 0.556 4.193 92 H GLU 14 H GLU 14 -3.236 -2.374 3.969 93 HA GLU 14 HA GLU 14 -3.943 -2.971 6.751 94 HB2 GLU 14 2HB GLU 14 -6.301 -3.512 6.245 95 HB3 GLU 14 3HB GLU 14 -5.971 -1.791 6.116 96 HG2 GLU 14 2HG GLU 14 -5.997 -1.877 3.691 97 HG3 GLU 14 3HG GLU 14 -6.034 -3.642 3.696 98 H TYR 15 H TYR 15 -4.736 -5.330 6.943 99 HA TYR 15 HA TYR 15 -3.927 -7.105 4.728 100 HB2 TYR 15 2HB TYR 15 -5.725 -7.602 7.118 101 HB3 TYR 15 3HB TYR 15 -5.173 -8.814 5.972 102 HD1 TYR 15 HD2 TYR 15 -2.170 -7.368 6.030 103 HD2 TYR 15 HD1 TYR 15 -4.926 -9.081 8.887 104 HE1 TYR 15 HE2 TYR 15 -0.271 -7.997 7.483 105 HE2 TYR 15 HE1 TYR 15 -3.020 -9.676 10.354 106 HH TYR 15 HH TYR 15 -0.775 -9.701 10.603 107 H ALA 16 H ALA 16 -5.156 -7.761 3.091 108 HA ALA 16 HA ALA 16 -7.485 -6.389 2.234 109 HB1 ALA 16 1HB ALA 16 -6.303 -9.060 1.458 110 HB2 ALA 16 2HB ALA 16 -7.532 -8.180 0.517 111 HB3 ALA 16 3HB ALA 16 -5.907 -7.488 0.744 112 H LYS 17 H LYS 17 -9.407 -6.472 3.365 113 HA LYS 17 HA LYS 17 -10.173 -8.781 4.967 114 HB2 LYS 17 2HB LYS 17 -11.469 -6.094 4.406 115 HB3 LYS 17 3HB LYS 17 -12.251 -7.329 5.382 116 HG2 LYS 17 2HG LYS 17 -11.142 -6.692 7.189 117 HG3 LYS 17 3HG LYS 17 -9.628 -7.176 6.446 118 HD2 LYS 17 2HD LYS 17 -9.441 -4.919 7.246 119 HD3 LYS 17 3HD LYS 17 -9.371 -4.909 5.481 120 HE2 LYS 17 2HE LYS 17 -11.693 -4.154 5.337 121 HE3 LYS 17 3HE LYS 17 -11.903 -4.332 7.086 122 HZ1 LYS 17 3HZ LYS 17 -9.971 -2.442 5.829 123 HZ2 LYS 17 1HZ LYS 17 -11.454 -2.012 6.388 124 HZ3 LYS 17 2HZ LYS 17 -10.312 -2.555 7.421 125 H SER 18 H SER 18 -10.829 -8.106 1.673 126 HA SER 18 HA SER 18 -12.493 -10.535 1.604 127 HB2 SER 18 2HB SER 18 -14.058 -8.505 1.740 128 HB3 SER 18 3HB SER 18 -13.486 -8.095 0.103 129 HG SER 18 HG SER 18 -15.407 -9.479 0.238 130 H ASN 19 H ASN 19 -12.581 -11.537 -0.461 131 HA ASN 19 HA ASN 19 -10.156 -11.055 -2.055 132 HB2 ASN 19 2HB ASN 19 -11.102 -13.330 -1.065 133 HB3 ASN 19 3HB ASN 19 -12.055 -13.357 -2.538 134 HD21 ASN 19 2HD2 ASN 19 -9.594 -14.975 -1.500 135 HD22 ASN 19 1HD2 ASN 19 -8.443 -14.817 -2.837 136 H ARG 20 H ARG 20 -11.982 -9.042 -2.316 137 HA ARG 20 HA ARG 20 -13.233 -9.315 -5.035 138 HB2 ARG 20 2HB ARG 20 -14.255 -7.849 -2.569 139 HB3 ARG 20 3HB ARG 20 -15.021 -7.809 -4.151 140 HG2 ARG 20 2HG ARG 20 -14.700 -10.258 -2.369 141 HG3 ARG 20 3HG ARG 20 -16.181 -9.354 -2.652 142 HD2 ARG 20 2HD ARG 20 -14.641 -10.986 -4.707 143 HD3 ARG 20 3HD ARG 20 -16.141 -11.456 -3.904 144 HE ARG 20 HE ARG 20 -16.807 -9.059 -5.089 145 HH11 ARG 20 1HH2 ARG 20 -15.541 -12.059 -6.380 146 HH12 ARG 20 2HH2 ARG 20 -16.271 -11.802 -7.941 147 HH21 ARG 20 1HH1 ARG 20 -17.701 -8.787 -7.105 148 HH22 ARG 20 2HH1 ARG 20 -17.465 -9.997 -8.331 149 H SER 21 H SER 21 -10.927 -7.557 -3.318 150 HA SER 21 HA SER 21 -11.188 -5.059 -4.866 151 HB2 SER 21 2HB SER 21 -10.401 -5.078 -2.516 152 HB3 SER 21 3HB SER 21 -8.968 -5.990 -3.012 153 HG SER 21 HG SER 21 -9.749 -3.374 -3.866 154 H THR 22 H THR 22 -9.218 -4.295 -6.137 155 HA THR 22 HA THR 22 -7.778 -6.444 -7.582 156 HB THR 22 HB THR 22 -9.297 -4.303 -9.057 157 HG1 THR 22 1HG THR 22 -10.775 -5.795 -8.254 158 HG21 THR 22 1HG2 THR 22 -8.815 -5.560 -11.074 159 HG22 THR 22 2HG2 THR 22 -7.290 -5.201 -10.255 160 HG23 THR 22 3HG2 THR 22 -8.007 -6.827 -10.141 161 H CYS 23 HN CYS 23 -5.789 -5.871 -8.051 162 HA CYS 23 HA CYS 23 -4.715 -3.421 -7.001 163 HB2 CYS 23 2HB CYS 23 -3.516 -5.407 -6.642 164 HB3 CYS 23 3HB CYS 23 -3.743 -5.926 -8.310 165 H LYS 24 H LYS 24 -4.748 -1.584 -8.094 166 HA LYS 24 HA LYS 24 -4.978 -1.340 -10.999 167 HB2 LYS 24 2HB LYS 24 -4.536 0.573 -8.692 168 HB3 LYS 24 3HB LYS 24 -4.341 1.120 -10.357 169 HG2 LYS 24 2HG LYS 24 -6.575 1.617 -9.632 170 HG3 LYS 24 3HG LYS 24 -6.613 0.437 -10.931 171 HD2 LYS 24 2HD LYS 24 -7.151 -1.352 -9.378 172 HD3 LYS 24 3HD LYS 24 -6.892 -0.281 -7.981 173 HE2 LYS 24 2HE LYS 24 -8.792 1.127 -8.713 174 HE3 LYS 24 3HE LYS 24 -9.010 0.113 -10.145 175 HZ1 LYS 24 3HZ LYS 24 -9.524 -1.754 -8.675 176 HZ2 LYS 24 1HZ LYS 24 -9.305 -0.841 -7.342 177 HZ3 LYS 24 2HZ LYS 24 -10.544 -0.516 -8.360 178 H GLY 25 H GLY 25 -2.305 -1.994 -8.984 179 HA2 GLY 25 2HA GLY 25 -0.217 -0.778 -10.604 180 HA3 GLY 25 3HA GLY 25 -0.021 -1.997 -9.344 181 H CYS 26 HN CYS 26 -1.840 -3.914 -10.724 182 HA CYS 26 HA CYS 26 -0.443 -4.415 -13.288 183 HB2 CYS 26 2HB CYS 26 0.007 -6.718 -12.818 184 HB3 CYS 26 3HB CYS 26 0.763 -5.711 -11.584 185 H MET 27 H MET 27 -3.424 -4.194 -11.844 186 HA MET 27 HA MET 27 -5.511 -4.665 -12.374 187 HB2 MET 27 2HB MET 27 -4.698 -3.705 -14.636 188 HB3 MET 27 3HB MET 27 -4.784 -5.369 -15.207 189 HG2 MET 27 2HG MET 27 -6.892 -4.757 -15.740 190 HG3 MET 27 3HG MET 27 -7.237 -5.214 -14.080 191 HE1 MET 27 3HE MET 27 -7.500 -3.363 -12.071 192 HE2 MET 27 1HE MET 27 -5.970 -2.549 -12.487 193 HE3 MET 27 2HE MET 27 -7.467 -1.608 -12.354 194 H GLU 28 H GLU 28 -4.506 -6.498 -10.885 195 HA GLU 28 HA GLU 28 -5.949 -8.936 -11.772 196 HB2 GLU 28 2HB GLU 28 -3.209 -9.021 -10.450 197 HB3 GLU 28 3HB GLU 28 -4.306 -10.386 -10.656 198 HG2 GLU 28 2HG GLU 28 -4.222 -10.071 -13.130 199 HG3 GLU 28 3HG GLU 28 -3.048 -8.769 -12.906 200 H LYS 29 H LYS 29 -6.778 -10.208 -10.007 201 HA LYS 29 HA LYS 29 -7.977 -8.475 -8.071 202 HB2 LYS 29 2HB LYS 29 -9.089 -10.508 -7.234 203 HB3 LYS 29 3HB LYS 29 -9.278 -10.238 -8.964 204 HG2 LYS 29 2HG LYS 29 -7.535 -11.947 -9.443 205 HG3 LYS 29 3HG LYS 29 -7.347 -12.253 -7.715 206 HD2 LYS 29 2HD LYS 29 -9.962 -12.582 -9.252 207 HD3 LYS 29 3HD LYS 29 -8.819 -13.898 -8.995 208 HE2 LYS 29 2HE LYS 29 -10.019 -12.308 -6.689 209 HE3 LYS 29 3HE LYS 29 -10.822 -13.720 -7.375 210 HZ1 LYS 29 3HZ LYS 29 -9.034 -15.104 -6.694 211 HZ2 LYS 29 1HZ LYS 29 -8.032 -13.857 -6.340 212 HZ3 LYS 29 2HZ LYS 29 -9.323 -14.111 -5.410 213 H ILE 30 H ILE 30 -7.626 -8.111 -6.006 214 HA ILE 30 HA ILE 30 -5.139 -9.067 -4.772 215 HB ILE 30 HB ILE 30 -7.244 -7.040 -3.999 216 HG12 ILE 30 2HG1 ILE 30 -4.247 -6.689 -4.463 217 HG13 ILE 30 3HG1 ILE 30 -5.407 -6.616 -5.779 218 HG21 ILE 30 1HG2 ILE 30 -6.470 -8.109 -1.888 219 HG22 ILE 30 2HG2 ILE 30 -4.784 -7.788 -2.364 220 HG23 ILE 30 3HG2 ILE 30 -5.907 -6.455 -2.034 221 HD11 ILE 30 3HD1 ILE 30 -6.554 -4.716 -4.738 222 HD12 ILE 30 1HD1 ILE 30 -5.390 -4.737 -3.386 223 HD13 ILE 30 2HD1 ILE 30 -4.841 -4.386 -5.028 224 H GLU 31 H GLU 31 -4.964 -10.719 -3.407 225 HA GLU 31 HA GLU 31 -7.258 -12.395 -2.812 226 HB2 GLU 31 2HB GLU 31 -4.344 -12.622 -1.967 227 HB3 GLU 31 3HB GLU 31 -5.574 -13.856 -1.724 228 HG2 GLU 31 2HG GLU 31 -4.480 -12.853 -4.378 229 HG3 GLU 31 3HG GLU 31 -4.167 -14.409 -3.622 230 H LYS 32 H LYS 32 -8.105 -12.912 -0.858 231 HA LYS 32 HA LYS 32 -8.105 -10.938 1.272 232 HB2 LYS 32 2HB LYS 32 -10.056 -12.349 0.708 233 HB3 LYS 32 3HB LYS 32 -9.187 -13.789 1.254 234 HG2 LYS 32 2HG LYS 32 -9.105 -12.856 3.555 235 HG3 LYS 32 3HG LYS 32 -9.913 -11.380 2.985 236 HD2 LYS 32 2HD LYS 32 -11.900 -12.711 2.366 237 HD3 LYS 32 3HD LYS 32 -11.079 -14.192 2.910 238 HE2 LYS 32 2HE LYS 32 -10.904 -13.278 5.197 239 HE3 LYS 32 3HE LYS 32 -11.660 -11.769 4.676 240 HZ1 LYS 32 3HZ LYS 32 -12.986 -14.430 4.628 241 HZ2 LYS 32 1HZ LYS 32 -13.270 -13.254 5.723 242 HZ3 LYS 32 2HZ LYS 32 -13.681 -13.022 4.163 243 H GLY 33 H GLY 33 -7.279 -11.049 3.326 244 HA2 GLY 33 2HA GLY 33 -5.998 -11.710 5.115 245 HA3 GLY 33 3HA GLY 33 -5.887 -13.319 4.402 246 H GLN 34 H GLN 34 -4.617 -10.868 2.306 247 HA GLN 34 HA GLN 34 -1.925 -10.956 3.530 248 HB2 GLN 34 2HB GLN 34 -0.854 -11.109 1.360 249 HB3 GLN 34 3HB GLN 34 -1.803 -12.530 1.741 250 HG2 GLN 34 2HG GLN 34 -2.113 -12.120 -0.583 251 HG3 GLN 34 3HG GLN 34 -3.625 -11.689 0.201 252 HE21 GLN 34 2HE2 GLN 34 -4.418 -9.608 -0.270 253 HE22 GLN 34 1HE2 GLN 34 -3.328 -8.249 -0.346 254 H VAL 35 H VAL 35 -0.593 -9.004 2.695 255 HA VAL 35 HA VAL 35 -2.031 -6.694 3.545 256 HB VAL 35 HB VAL 35 0.635 -6.889 2.109 257 HG11 VAL 35 1HG1 VAL 35 -0.135 -4.563 1.983 258 HG12 VAL 35 2HG1 VAL 35 -0.544 -4.575 3.716 259 HG13 VAL 35 3HG1 VAL 35 1.145 -4.694 3.177 260 HG21 VAL 35 3HG2 VAL 35 1.605 -6.665 4.359 261 HG22 VAL 35 1HG2 VAL 35 -0.019 -6.693 5.071 262 HG23 VAL 35 2HG2 VAL 35 0.624 -8.124 4.241 263 H ARG 36 H ARG 36 -2.862 -4.877 2.475 264 HA ARG 36 HA ARG 36 -2.289 -4.559 -0.378 265 HB2 ARG 36 2HB ARG 36 -4.498 -4.035 -1.102 266 HB3 ARG 36 3HB ARG 36 -4.452 -5.682 -0.473 267 HG2 ARG 36 2HG ARG 36 -5.602 -4.998 1.571 268 HG3 ARG 36 3HG ARG 36 -5.495 -3.297 1.110 269 HD2 ARG 36 2HD ARG 36 -6.839 -3.816 -0.957 270 HD3 ARG 36 3HD ARG 36 -7.104 -5.448 -0.317 271 HE ARG 36 HE ARG 36 -7.946 -3.936 1.782 272 HH11 ARG 36 1HH2 ARG 36 -8.827 -3.445 -1.615 273 HH12 ARG 36 2HH2 ARG 36 -10.295 -2.651 -1.133 274 HH21 ARG 36 1HH1 ARG 36 -9.710 -3.027 2.232 275 HH22 ARG 36 2HH1 ARG 36 -10.852 -2.455 1.010 276 H LEU 37 H LEU 37 -2.179 -2.479 -1.058 277 HA LEU 37 HA LEU 37 -2.304 -0.382 1.058 278 HB2 LEU 37 2HB LEU 37 -0.495 -0.362 -1.376 279 HB3 LEU 37 3HB LEU 37 -0.535 0.752 0.028 280 HG LEU 37 HG LEU 37 1.412 -0.410 0.243 281 HD11 LEU 37 1HD1 LEU 37 -0.484 -1.828 2.126 282 HD12 LEU 37 2HD1 LEU 37 1.252 -1.508 2.353 283 HD13 LEU 37 3HD1 LEU 37 0.105 -0.156 2.252 284 HD21 LEU 37 3HD2 LEU 37 1.742 -2.782 0.243 285 HD22 LEU 37 1HD2 LEU 37 0.017 -3.122 0.089 286 HD23 LEU 37 2HD2 LEU 37 0.886 -2.369 -1.258 287 H SER 38 H SER 38 -3.031 1.704 0.430 288 HA SER 38 HA SER 38 -4.362 1.914 -2.218 289 HB2 SER 38 2HB SER 38 -6.148 1.689 -0.628 290 HB3 SER 38 3HB SER 38 -5.431 2.933 0.415 291 HG SER 38 HG SER 38 -6.969 3.953 -0.759 292 H LYS 39 H LYS 39 -4.123 3.811 -3.277 293 HA LYS 39 HA LYS 39 -2.660 6.115 -2.002 294 HB2 LYS 39 2HB LYS 39 -1.546 5.347 -4.032 295 HB3 LYS 39 3HB LYS 39 -3.081 5.313 -4.899 296 HG2 LYS 39 2HG LYS 39 -2.009 7.204 -5.704 297 HG3 LYS 39 3HG LYS 39 -3.239 7.831 -4.605 298 HD2 LYS 39 2HD LYS 39 -1.523 8.209 -2.876 299 HD3 LYS 39 3HD LYS 39 -0.279 7.516 -3.944 300 HE2 LYS 39 2HE LYS 39 -0.734 9.239 -5.642 301 HE3 LYS 39 3HE LYS 39 -2.041 9.907 -4.654 302 HZ1 LYS 39 3HZ LYS 39 0.013 11.177 -4.378 303 HZ2 LYS 39 1HZ LYS 39 -0.373 10.464 -2.955 304 HZ3 LYS 39 2HZ LYS 39 0.829 9.845 -3.890 305 H LYS 40 H LYS 40 -3.883 7.875 -1.512 306 HA LYS 40 HA LYS 40 -6.664 8.036 -2.565 307 HB2 LYS 40 2HB LYS 40 -6.526 8.026 -0.230 308 HB3 LYS 40 3HB LYS 40 -5.295 9.264 -0.187 309 HG2 LYS 40 2HG LYS 40 -8.105 9.752 -1.328 310 HG3 LYS 40 3HG LYS 40 -7.761 9.870 0.393 311 HD2 LYS 40 2HD LYS 40 -6.721 11.663 -1.805 312 HD3 LYS 40 3HD LYS 40 -7.737 12.084 -0.424 313 HE2 LYS 40 2HE LYS 40 -5.782 11.540 1.090 314 HE3 LYS 40 3HE LYS 40 -4.818 11.236 -0.364 315 HZ1 LYS 40 3HZ LYS 40 -4.329 13.389 0.260 316 HZ2 LYS 40 1HZ LYS 40 -5.312 13.580 -1.011 317 HZ3 LYS 40 2HZ LYS 40 -5.902 13.837 0.504 318 H MET 41 H MET 41 -6.977 9.195 -4.322 319 HA MET 41 HA MET 41 -5.837 11.858 -4.667 320 HB2 MET 41 2HB MET 41 -4.684 11.466 -6.766 321 HB3 MET 41 3HB MET 41 -3.926 10.576 -5.453 322 HG2 MET 41 2HG MET 41 -5.092 8.500 -6.213 323 HG3 MET 41 3HG MET 41 -5.786 9.414 -7.559 324 HE1 MET 41 3HE MET 41 -4.954 7.783 -9.320 325 HE2 MET 41 1HE MET 41 -3.283 7.158 -9.412 326 HE3 MET 41 2HE MET 41 -4.301 6.766 -8.006 327 H VAL 42 H VAL 42 -7.050 13.146 -6.098 328 HA VAL 42 HA VAL 42 -9.484 12.177 -7.231 329 HB VAL 42 HB VAL 42 -9.196 14.495 -6.684 330 HG11 VAL 42 1HG1 VAL 42 -6.804 14.853 -7.248 331 HG12 VAL 42 2HG1 VAL 42 -7.208 14.743 -8.975 332 HG13 VAL 42 3HG1 VAL 42 -7.865 16.057 -7.986 333 HG21 VAL 42 3HG2 VAL 42 -9.554 14.204 -9.669 334 HG22 VAL 42 1HG2 VAL 42 -10.793 13.831 -8.442 335 HG23 VAL 42 2HG2 VAL 42 -10.193 15.489 -8.626 336 H ASP 43 H ASP 43 -9.947 11.205 -9.132 337 HA ASP 43 HA ASP 43 -7.815 10.022 -10.676 338 HB2 ASP 43 2HB ASP 43 -9.973 8.918 -10.237 339 HB3 ASP 43 3HB ASP 43 -10.810 10.146 -11.186 340 HA PRO 44 HA PRO 44 -7.272 13.541 -13.298 341 HB2 PRO 44 2HB PRO 44 -5.486 12.560 -15.150 342 HB3 PRO 44 3HB PRO 44 -5.063 12.841 -13.433 343 HG2 PRO 44 2HG PRO 44 -5.965 10.232 -14.714 344 HG3 PRO 44 3HG PRO 44 -4.525 10.511 -13.676 345 HD2 PRO 44 2HD PRO 44 -6.826 9.542 -12.663 346 HD3 PRO 44 3HD PRO 44 -5.852 10.731 -11.745 347 H GLU 45 H GLU 45 -8.840 10.723 -14.543 348 HA GLU 45 HA GLU 45 -9.719 12.207 -17.008 349 HB2 GLU 45 2HB GLU 45 -9.804 9.235 -16.365 350 HB3 GLU 45 3HB GLU 45 -10.491 9.998 -17.802 351 HG2 GLU 45 2HG GLU 45 -8.216 10.857 -18.407 352 HG3 GLU 45 3HG GLU 45 -7.540 9.966 -17.042 353 H LYS 46 H LYS 46 -10.652 11.314 -13.895 354 HA LYS 46 HA LYS 46 -13.522 11.979 -14.365 355 HB2 LYS 46 2HB LYS 46 -12.559 9.650 -12.640 356 HB3 LYS 46 3HB LYS 46 -14.232 10.134 -12.915 357 HG2 LYS 46 2HG LYS 46 -12.378 9.056 -15.057 358 HG3 LYS 46 3HG LYS 46 -13.553 8.106 -14.158 359 HD2 LYS 46 2HD LYS 46 -15.417 9.173 -15.128 360 HD3 LYS 46 3HD LYS 46 -14.477 10.568 -15.679 361 HE2 LYS 46 2HE LYS 46 -13.153 9.119 -17.172 362 HE3 LYS 46 3HE LYS 46 -14.138 7.722 -16.697 363 HZ1 LYS 46 3HZ LYS 46 -14.944 8.702 -18.778 364 HZ2 LYS 46 1HZ LYS 46 -16.087 8.881 -17.627 365 HZ3 LYS 46 2HZ LYS 46 -15.163 10.156 -18.074 366 HA PRO 47 HA PRO 47 -11.537 14.001 -10.635 367 HB2 PRO 47 2HB PRO 47 -11.714 16.677 -11.296 368 HB3 PRO 47 3HB PRO 47 -10.321 15.623 -11.675 369 HG2 PRO 47 2HG PRO 47 -12.663 16.336 -13.477 370 HG3 PRO 47 3HG PRO 47 -10.911 16.359 -13.873 371 HD2 PRO 47 2HD PRO 47 -12.490 14.270 -14.567 372 HD3 PRO 47 3HD PRO 47 -10.808 14.023 -14.007 373 H GLN 48 H GLN 48 -14.508 14.480 -12.389 374 HA GLN 48 HA GLN 48 -16.049 15.906 -10.508 375 HB2 GLN 48 2HB GLN 48 -16.596 15.391 -12.890 376 HB3 GLN 48 3HB GLN 48 -16.948 13.718 -12.427 377 HG2 GLN 48 2HG GLN 48 -18.788 14.504 -10.967 378 HG3 GLN 48 3HG GLN 48 -18.372 16.183 -11.320 379 HE21 GLN 48 2HE2 GLN 48 -20.887 15.863 -11.822 380 HE22 GLN 48 1HE2 GLN 48 -21.220 15.539 -13.518 381 H LEU 49 H LEU 49 -15.124 12.429 -10.418 382 HA LEU 49 HA LEU 49 -16.942 12.015 -8.117 383 HB2 LEU 49 2HB LEU 49 -16.229 9.656 -8.193 384 HB3 LEU 49 3HB LEU 49 -17.100 10.274 -9.586 385 HG LEU 49 HG LEU 49 -15.011 10.402 -10.872 386 HD11 LEU 49 1HD1 LEU 49 -13.779 9.048 -8.443 387 HD12 LEU 49 2HD1 LEU 49 -13.000 9.157 -10.037 388 HD13 LEU 49 3HD1 LEU 49 -13.310 10.623 -9.110 389 HD21 LEU 49 3HD2 LEU 49 -15.543 7.671 -9.660 390 HD22 LEU 49 1HD2 LEU 49 -16.445 8.420 -10.999 391 HD23 LEU 49 2HD2 LEU 49 -14.742 7.998 -11.216 392 H GLY 50 H GLY 50 -13.896 13.367 -8.355 393 HA2 GLY 50 2HA GLY 50 -12.686 14.244 -6.636 394 HA3 GLY 50 3HA GLY 50 -13.769 13.462 -5.488 395 H MET 51 H MET 51 -11.707 13.258 -4.327 396 HA MET 51 HA MET 51 -9.613 11.608 -5.131 397 HB2 MET 51 2HB MET 51 -10.343 12.059 -2.235 398 HB3 MET 51 3HB MET 51 -8.760 11.829 -2.980 399 HG2 MET 51 2HG MET 51 -9.406 14.072 -4.275 400 HG3 MET 51 3HG MET 51 -10.542 14.262 -2.943 401 HE1 MET 51 3HE MET 51 -7.142 14.793 -4.337 402 HE2 MET 51 1HE MET 51 -5.993 14.684 -2.983 403 HE3 MET 51 2HE MET 51 -6.828 13.221 -3.577 404 H ILE 52 H ILE 52 -9.483 9.503 -5.407 405 HA ILE 52 HA ILE 52 -11.387 7.697 -4.022 406 HB ILE 52 HB ILE 52 -11.063 6.202 -6.072 407 HG12 ILE 52 2HG1 ILE 52 -10.711 7.339 -8.230 408 HG13 ILE 52 3HG1 ILE 52 -10.187 8.806 -7.415 409 HG21 ILE 52 1HG2 ILE 52 -12.876 7.274 -7.250 410 HG22 ILE 52 2HG2 ILE 52 -13.127 7.405 -5.504 411 HG23 ILE 52 3HG2 ILE 52 -12.560 8.819 -6.428 412 HD11 ILE 52 3HD1 ILE 52 -8.317 7.396 -8.290 413 HD12 ILE 52 1HD1 ILE 52 -8.196 7.634 -6.552 414 HD13 ILE 52 2HD1 ILE 52 -8.817 6.094 -7.174 415 H ASP 53 H ASP 53 -10.672 5.412 -3.918 416 HA ASP 53 HA ASP 53 -7.946 5.295 -2.749 417 HB2 ASP 53 2HB ASP 53 -10.528 3.791 -2.240 418 HB3 ASP 53 3HB ASP 53 -8.975 3.087 -1.809 419 H ARG 54 H ARG 54 -6.672 4.864 -4.367 420 HA ARG 54 HA ARG 54 -7.176 2.773 -6.415 421 HB2 ARG 54 2HB ARG 54 -5.692 5.159 -6.386 422 HB3 ARG 54 3HB ARG 54 -4.450 3.936 -6.233 423 HG2 ARG 54 2HG ARG 54 -4.691 4.455 -8.520 424 HG3 ARG 54 3HG ARG 54 -5.283 2.813 -8.279 425 HD2 ARG 54 2HD ARG 54 -7.590 3.544 -8.498 426 HD3 ARG 54 3HD ARG 54 -7.124 5.225 -8.211 427 HE ARG 54 HE ARG 54 -5.863 4.261 -10.607 428 HH11 ARG 54 1HH2 ARG 54 -9.041 5.342 -9.507 429 HH12 ARG 54 2HH2 ARG 54 -9.256 6.284 -10.990 430 HH21 ARG 54 1HH1 ARG 54 -6.412 5.441 -12.505 431 HH22 ARG 54 2HH1 ARG 54 -7.952 6.301 -12.498 432 H TRP 55 H TRP 55 -7.168 0.752 -5.490 433 HA TRP 55 HA TRP 55 -5.228 0.056 -3.442 434 HB2 TRP 55 2HB TRP 55 -7.380 -1.578 -4.791 435 HB3 TRP 55 3HB TRP 55 -6.309 -2.195 -3.543 436 HD1 TRP 55 HD1 TRP 55 -9.455 -0.242 -3.965 437 HE1 TRP 55 HE1 TRP 55 -10.346 0.596 -1.713 438 HE3 TRP 55 HE3 TRP 55 -5.462 -1.478 -1.001 439 HZ2 TRP 55 HZ2 TRP 55 -9.428 0.756 1.021 440 HZ3 TRP 55 HZ3 TRP 55 -5.485 -0.937 1.424 441 HH2 TRP 55 HH2 TRP 55 -7.461 0.166 2.445 442 H TYR 56 H TYR 56 -3.655 -1.465 -3.463 443 HA TYR 56 HA TYR 56 -2.570 -2.610 -5.968 444 HB2 TYR 56 2HB TYR 56 -1.080 -0.972 -3.870 445 HB3 TYR 56 3HB TYR 56 -0.344 -1.780 -5.246 446 HD1 TYR 56 HD2 TYR 56 -1.024 -1.077 -7.576 447 HD2 TYR 56 HD1 TYR 56 -1.953 1.264 -4.102 448 HE1 TYR 56 HE2 TYR 56 -1.404 0.936 -9.037 449 HE2 TYR 56 HE1 TYR 56 -2.336 3.250 -5.539 450 HH TYR 56 HH TYR 56 -2.341 4.094 -7.686 451 H HIS 57 H HIS 57 -1.094 -4.245 -5.654 452 HA HIS 57 HA HIS 57 -1.243 -6.066 -3.328 453 HB2 HIS 57 2HB HIS 57 0.487 -6.013 -5.820 454 HB3 HIS 57 3HB HIS 57 0.677 -7.219 -4.583 455 HD2 HIS 57 HD2 HIS 57 -1.871 -8.548 -3.966 456 HE1 HIS 57 HE1 HIS 57 -2.950 -8.566 -8.078 457 HE2 HIS 57 HE2 HIS 57 -3.403 -9.629 -5.834 458 HA PRO 58 HA PRO 58 2.382 -4.292 -1.237 459 HB2 PRO 58 2HB PRO 58 3.581 -6.450 -0.065 460 HB3 PRO 58 3HB PRO 58 2.008 -5.784 0.470 461 HG2 PRO 58 2HG PRO 58 2.496 -8.119 -1.414 462 HG3 PRO 58 3HG PRO 58 1.418 -8.066 0.019 463 HD2 PRO 58 2HD PRO 58 0.448 -7.674 -2.470 464 HD3 PRO 58 3HD PRO 58 -0.151 -6.702 -1.107 465 H GLY 59 H GLY 59 2.866 -6.638 -3.775 466 HA2 GLY 59 2HA GLY 59 5.734 -5.986 -4.133 467 HA3 GLY 59 3HA GLY 59 4.722 -6.978 -5.186 468 H CYS 60 HN CYS 60 2.614 -5.293 -5.818 469 HA CYS 60 HA CYS 60 3.812 -3.850 -7.901 470 HB2 CYS 60 2HB CYS 60 0.938 -3.807 -6.924 471 HB3 CYS 60 3HB CYS 60 1.500 -3.296 -8.520 472 H PHE 61 H PHE 61 2.340 -2.617 -4.854 473 HA PHE 61 HA PHE 61 2.298 0.105 -5.693 474 HB2 PHE 61 2HB PHE 61 1.575 0.600 -3.643 475 HB3 PHE 61 3HB PHE 61 1.347 -1.135 -3.527 476 HD1 PHE 61 HD2 PHE 61 3.215 -2.530 -2.485 477 HD2 PHE 61 HD1 PHE 61 3.051 1.754 -2.175 478 HE1 PHE 61 HE2 PHE 61 4.721 -2.620 -0.505 479 HE2 PHE 61 HE1 PHE 61 4.527 1.672 -0.165 480 HZ PHE 61 HZ PHE 61 5.331 -0.524 0.688 481 H VAL 62 H VAL 62 4.952 -1.837 -4.359 482 HA VAL 62 HA VAL 62 6.955 0.200 -4.157 483 HB VAL 62 HB VAL 62 7.402 -2.700 -4.946 484 HG11 VAL 62 1HG1 VAL 62 9.591 -2.444 -3.999 485 HG12 VAL 62 2HG1 VAL 62 9.382 -1.181 -5.193 486 HG13 VAL 62 3HG1 VAL 62 9.231 -0.785 -3.459 487 HG21 VAL 62 3HG2 VAL 62 7.757 -3.125 -2.529 488 HG22 VAL 62 1HG2 VAL 62 7.181 -1.483 -2.162 489 HG23 VAL 62 2HG2 VAL 62 6.096 -2.684 -2.884 490 H LYS 63 H LYS 63 6.006 -1.895 -6.882 491 HA LYS 63 HA LYS 63 7.931 -0.969 -8.770 492 HB2 LYS 63 2HB LYS 63 6.953 -3.059 -9.110 493 HB3 LYS 63 3HB LYS 63 5.340 -2.476 -8.807 494 HG2 LYS 63 2HG LYS 63 5.313 -1.347 -11.042 495 HG3 LYS 63 3HG LYS 63 6.934 -2.006 -11.343 496 HD2 LYS 63 2HD LYS 63 5.322 -3.478 -12.399 497 HD3 LYS 63 3HD LYS 63 5.998 -4.311 -10.997 498 HE2 LYS 63 2HE LYS 63 3.822 -3.134 -9.829 499 HE3 LYS 63 3HE LYS 63 3.214 -3.233 -11.470 500 HZ1 LYS 63 3HZ LYS 63 2.767 -5.212 -9.967 501 HZ2 LYS 63 1HZ LYS 63 3.475 -5.610 -11.406 502 HZ3 LYS 63 2HZ LYS 63 4.341 -5.573 -10.018 503 H ASN 64 H ASN 64 5.025 0.611 -7.702 504 HA ASN 64 HA ASN 64 5.541 2.792 -9.683 505 HB2 ASN 64 2HB ASN 64 2.906 3.139 -8.737 506 HB3 ASN 64 3HB ASN 64 3.479 2.834 -10.351 507 HD21 ASN 64 1HD2 ASN 64 1.802 1.515 -7.616 508 HD22 ASN 64 2HD2 ASN 64 1.433 -0.021 -8.397 509 H ARG 65 H ARG 65 6.565 2.268 -6.674 510 HA ARG 65 HA ARG 65 5.199 4.094 -5.136 511 HB2 ARG 65 2HB ARG 65 6.611 3.687 -3.470 512 HB3 ARG 65 3HB ARG 65 7.040 2.349 -4.484 513 HG2 ARG 65 2HG ARG 65 8.620 4.960 -4.251 514 HG3 ARG 65 3HG ARG 65 8.927 3.481 -3.351 515 HD2 ARG 65 2HD ARG 65 9.187 2.361 -5.680 516 HD3 ARG 65 3HD ARG 65 9.315 3.999 -6.300 517 HE ARG 65 HE ARG 65 11.378 4.288 -5.158 518 HH11 ARG 65 1HH2 ARG 65 10.145 1.070 -4.594 519 HH12 ARG 65 2HH2 ARG 65 11.526 0.594 -3.629 520 HH21 ARG 65 1HH1 ARG 65 13.225 3.541 -4.122 521 HH22 ARG 65 2HH1 ARG 65 13.289 1.890 -3.571 522 H GLU 66 H GLU 66 7.774 4.912 -7.362 523 HA GLU 66 HA GLU 66 7.980 7.669 -6.507 524 HB2 GLU 66 2HB GLU 66 9.317 8.007 -8.504 525 HB3 GLU 66 3HB GLU 66 9.831 6.570 -7.622 526 HG2 GLU 66 2HG GLU 66 8.599 5.135 -9.256 527 HG3 GLU 66 3HG GLU 66 8.112 6.579 -10.143 528 H GLU 67 H GLU 67 5.796 5.967 -8.640 529 HA GLU 67 HA GLU 67 4.608 8.368 -9.814 530 HB2 GLU 67 2HB GLU 67 4.742 6.253 -11.061 531 HB3 GLU 67 3HB GLU 67 3.662 5.490 -9.887 532 HG2 GLU 67 2HG GLU 67 1.852 7.003 -10.470 533 HG3 GLU 67 3HG GLU 67 2.923 7.960 -11.500 534 H LEU 68 H LEU 68 3.911 6.051 -7.184 535 HA LEU 68 HA LEU 68 1.495 7.377 -6.260 536 HB2 LEU 68 2HB LEU 68 3.380 5.549 -4.730 537 HB3 LEU 68 3HB LEU 68 1.733 5.968 -4.281 538 HG LEU 68 HG LEU 68 2.599 4.268 -6.648 539 HD11 LEU 68 1HD1 LEU 68 1.012 3.613 -4.147 540 HD12 LEU 68 2HD1 LEU 68 1.353 2.498 -5.483 541 HD13 LEU 68 3HD1 LEU 68 2.687 3.123 -4.500 542 HD21 LEU 68 3HD2 LEU 68 -0.222 5.063 -5.883 543 HD22 LEU 68 1HD2 LEU 68 0.649 5.575 -7.348 544 HD23 LEU 68 2HD2 LEU 68 0.257 3.876 -7.119 545 H GLY 69 H GLY 69 4.867 8.080 -5.822 546 HA2 GLY 69 2HA GLY 69 5.481 10.346 -5.409 547 HA3 GLY 69 3HA GLY 69 4.081 10.562 -4.363 548 H PHE 70 H PHE 70 5.904 7.649 -3.787 549 HA PHE 70 HA PHE 70 6.678 8.441 -1.118 550 HB2 PHE 70 2HB PHE 70 7.310 6.085 -2.903 551 HB3 PHE 70 3HB PHE 70 8.098 6.282 -1.354 552 HD1 PHE 70 HD1 PHE 70 6.863 6.153 0.754 553 HD2 PHE 70 HD2 PHE 70 4.977 5.363 -3.031 554 HE1 PHE 70 HE1 PHE 70 5.038 4.966 1.930 555 HE2 PHE 70 HE2 PHE 70 3.116 4.194 -1.856 556 HZ PHE 70 HZ PHE 70 3.166 3.969 0.619 557 H ARG 71 H ARG 71 8.423 9.384 -0.389 558 HA ARG 71 HA ARG 71 11.044 9.248 -1.752 559 HB2 ARG 71 2HB ARG 71 9.854 11.789 -0.551 560 HB3 ARG 71 3HB ARG 71 11.472 11.621 -1.227 561 HG2 ARG 71 2HG ARG 71 10.576 11.245 -3.468 562 HG3 ARG 71 3HG ARG 71 8.911 11.318 -2.852 563 HD2 ARG 71 2HD ARG 71 9.284 13.608 -2.046 564 HD3 ARG 71 3HD ARG 71 10.932 13.572 -2.673 565 HE ARG 71 HE ARG 71 10.150 13.722 -4.880 566 HH11 ARG 71 1HH2 ARG 71 7.354 13.624 -2.735 567 HH12 ARG 71 2HH2 ARG 71 6.257 13.978 -4.038 568 HH21 ARG 71 1HH1 ARG 71 8.684 14.225 -6.453 569 HH22 ARG 71 2HH1 ARG 71 6.994 14.348 -6.068 570 HA PRO 72 HA PRO 72 12.552 7.862 1.957 571 HB2 PRO 72 2HB PRO 72 14.567 10.108 2.188 572 HB3 PRO 72 3HB PRO 72 14.828 8.343 2.365 573 HG2 PRO 72 2HG PRO 72 15.456 9.553 0.040 574 HG3 PRO 72 3HG PRO 72 14.549 8.002 0.003 575 HD2 PRO 72 2HD PRO 72 13.481 10.820 -0.282 576 HD3 PRO 72 3HD PRO 72 13.108 9.367 -1.256 577 H GLU 73 H GLU 73 11.897 11.359 2.350 578 HA GLU 73 HA GLU 73 11.836 11.258 5.243 579 HB2 GLU 73 2HB GLU 73 10.733 13.443 5.092 580 HB3 GLU 73 3HB GLU 73 12.211 13.371 4.151 581 HG2 GLU 73 2HG GLU 73 9.622 12.812 2.702 582 HG3 GLU 73 3HG GLU 73 9.918 14.455 3.247 583 H TYR 74 H TYR 74 9.585 10.050 2.950 584 HA TYR 74 HA TYR 74 7.723 9.402 5.114 585 HB2 TYR 74 2HB TYR 74 5.738 10.084 3.658 586 HB3 TYR 74 3HB TYR 74 6.606 11.264 4.607 587 HD1 TYR 74 HD2 TYR 74 7.276 9.945 1.131 588 HD2 TYR 74 HD1 TYR 74 6.394 13.323 3.650 589 HE1 TYR 74 HE2 TYR 74 7.420 11.477 -0.841 590 HE2 TYR 74 HE1 TYR 74 6.565 14.841 1.695 591 HH TYR 74 HH TYR 74 6.938 15.003 -0.552 592 H SER 75 H SER 75 9.196 7.613 4.505 593 HA SER 75 HA SER 75 8.549 5.666 2.507 594 HB2 SER 75 2HB SER 75 10.609 5.795 3.867 595 HB3 SER 75 3HB SER 75 9.679 5.378 5.316 596 HG SER 75 HG SER 75 10.332 3.779 3.062 597 H ALA 76 H ALA 76 7.976 3.341 3.755 598 HA ALA 76 HA ALA 76 5.177 3.192 3.742 599 HB1 ALA 76 1HB ALA 76 6.712 1.323 3.284 600 HB2 ALA 76 2HB ALA 76 7.217 1.303 4.991 601 HB3 ALA 76 3HB ALA 76 5.548 0.889 4.555 602 H SER 77 H SER 77 7.150 4.064 6.551 603 HA SER 77 HA SER 77 5.250 3.424 8.586 604 HB2 SER 77 2HB SER 77 7.290 5.684 8.522 605 HB3 SER 77 3HB SER 77 6.493 5.025 9.961 606 HG SER 77 HG SER 77 8.590 4.141 9.642 607 H GLN 78 H GLN 78 5.295 5.964 6.185 608 HA GLN 78 HA GLN 78 3.287 7.558 7.544 609 HB2 GLN 78 2HB GLN 78 4.943 7.948 5.042 610 HB3 GLN 78 3HB GLN 78 3.518 8.913 5.350 611 HG2 GLN 78 2HG GLN 78 5.314 10.196 6.135 612 HG3 GLN 78 3HG GLN 78 4.396 9.664 7.503 613 HE21 GLN 78 2HE2 GLN 78 6.339 10.359 8.690 614 HE22 GLN 78 1HE2 GLN 78 7.650 9.192 8.889 615 H LEU 79 H LEU 79 2.837 4.692 6.216 616 HA LEU 79 HA LEU 79 0.334 5.287 4.734 617 HB2 LEU 79 2HB LEU 79 1.728 2.739 5.616 618 HB3 LEU 79 3HB LEU 79 0.150 2.743 4.860 619 HG LEU 79 HG LEU 79 2.491 4.010 3.411 620 HD11 LEU 79 1HD1 LEU 79 1.794 1.051 3.331 621 HD12 LEU 79 2HD1 LEU 79 2.966 1.892 2.297 622 HD13 LEU 79 3HD1 LEU 79 3.257 1.739 4.037 623 HD21 LEU 79 3HD2 LEU 79 0.060 2.495 2.415 624 HD22 LEU 79 1HD2 LEU 79 0.137 4.254 2.627 625 HD23 LEU 79 2HD2 LEU 79 1.191 3.458 1.456 626 H LYS 80 H LYS 80 -1.693 5.199 5.626 627 HA LYS 80 HA LYS 80 -2.234 5.135 8.417 628 HB2 LYS 80 2HB LYS 80 -4.159 4.068 6.312 629 HB3 LYS 80 3HB LYS 80 -4.555 4.725 7.893 630 HG2 LYS 80 2HG LYS 80 -3.825 6.966 7.141 631 HG3 LYS 80 3HG LYS 80 -3.444 6.279 5.539 632 HD2 LYS 80 2HD LYS 80 -5.962 5.455 5.610 633 HD3 LYS 80 3HD LYS 80 -6.138 6.683 6.878 634 HE2 LYS 80 2HE LYS 80 -5.170 8.377 5.291 635 HE3 LYS 80 3HE LYS 80 -5.066 7.112 4.055 636 HZ1 LYS 80 3HZ LYS 80 -7.103 8.449 3.812 637 HZ2 LYS 80 1HZ LYS 80 -7.502 6.905 4.164 638 HZ3 LYS 80 2HZ LYS 80 -7.595 8.060 5.317 639 H GLY 81 H GLY 81 -2.703 3.461 9.839 640 HA2 GLY 81 2HA GLY 81 -3.010 1.336 10.693 641 HA3 GLY 81 3HA GLY 81 -3.661 0.910 9.110 642 H PHE 82 H PHE 82 -0.428 1.829 8.671 643 HA PHE 82 HA PHE 82 0.512 -0.740 7.966 644 HB2 PHE 82 2HB PHE 82 1.637 0.997 6.977 645 HB3 PHE 82 3HB PHE 82 1.672 1.986 8.425 646 HD1 PHE 82 HD1 PHE 82 3.347 1.635 10.211 647 HD2 PHE 82 HD2 PHE 82 3.575 -0.393 6.406 648 HE1 PHE 82 HE1 PHE 82 5.747 1.161 10.607 649 HE2 PHE 82 HE2 PHE 82 5.984 -0.821 6.800 650 HZ PHE 82 HZ PHE 82 7.066 -0.070 8.895 651 H SER 83 H SER 83 0.707 1.072 11.005 652 HA SER 83 HA SER 83 2.511 -0.534 12.479 653 HB2 SER 83 2HB SER 83 1.421 0.593 14.432 654 HB3 SER 83 3HB SER 83 1.901 1.708 13.134 655 HG SER 83 HG SER 83 -0.238 2.112 13.919 656 H LEU 84 H LEU 84 -0.899 -1.034 11.758 657 HA LEU 84 HA LEU 84 -1.366 -3.001 13.816 658 HB2 LEU 84 2HB LEU 84 -2.924 -1.230 12.513 659 HB3 LEU 84 3HB LEU 84 -3.105 -2.565 11.384 660 HG LEU 84 HG LEU 84 -3.936 -3.983 13.339 661 HD11 LEU 84 1HD1 LEU 84 -2.953 -2.723 15.218 662 HD12 LEU 84 2HD1 LEU 84 -3.838 -1.266 14.734 663 HD13 LEU 84 3HD1 LEU 84 -4.714 -2.690 15.349 664 HD21 LEU 84 3HD2 LEU 84 -5.467 -2.860 11.761 665 HD22 LEU 84 1HD2 LEU 84 -6.144 -2.874 13.400 666 HD23 LEU 84 2HD2 LEU 84 -5.417 -1.383 12.748 667 H LEU 85 H LEU 85 0.182 -3.234 10.796 668 HA LEU 85 HA LEU 85 -0.640 -5.959 10.084 669 HB2 LEU 85 2HB LEU 85 1.788 -4.360 9.229 670 HB3 LEU 85 3HB LEU 85 1.175 -5.803 8.441 671 HG LEU 85 HG LEU 85 -0.313 -3.140 8.561 672 HD11 LEU 85 1HD1 LEU 85 1.280 -4.418 6.303 673 HD12 LEU 85 2HD1 LEU 85 0.337 -2.914 6.201 674 HD13 LEU 85 3HD1 LEU 85 1.767 -2.989 7.242 675 HD21 LEU 85 3HD2 LEU 85 -0.842 -5.591 6.883 676 HD22 LEU 85 1HD2 LEU 85 -1.828 -5.057 8.265 677 HD23 LEU 85 2HD2 LEU 85 -1.709 -4.048 6.812 678 H ALA 86 H ALA 86 1.075 -7.726 9.947 679 HA ALA 86 HA ALA 86 2.417 -8.228 12.429 680 HB1 ALA 86 1HB ALA 86 3.438 -10.123 11.136 681 HB2 ALA 86 2HB ALA 86 1.676 -10.051 11.012 682 HB3 ALA 86 3HB ALA 86 2.677 -9.477 9.662 683 H THR 87 H THR 87 4.610 -8.195 12.967 684 HA THR 87 HA THR 87 6.152 -5.994 12.227 685 HB THR 87 HB THR 87 7.240 -8.624 13.269 686 HG1 THR 87 1HG THR 87 6.697 -7.807 15.305 687 HG21 THR 87 1HG2 THR 87 8.797 -7.145 14.546 688 HG22 THR 87 2HG2 THR 87 9.002 -6.950 12.801 689 HG23 THR 87 3HG2 THR 87 8.105 -5.725 13.726 690 H GLU 88 H GLU 88 6.340 -9.315 10.887 691 HA GLU 88 HA GLU 88 8.653 -8.852 9.266 692 HB2 GLU 88 2HB GLU 88 8.070 -10.902 8.134 693 HB3 GLU 88 3HB GLU 88 7.887 -11.079 9.878 694 HG2 GLU 88 2HG GLU 88 5.401 -10.759 9.607 695 HG3 GLU 88 3HG GLU 88 5.631 -10.704 7.858 696 H ASP 89 H ASP 89 5.227 -8.076 8.660 697 HA ASP 89 HA ASP 89 5.758 -7.344 5.848 698 HB2 ASP 89 2HB ASP 89 3.339 -6.975 7.649 699 HB3 ASP 89 3HB ASP 89 3.441 -6.379 5.995 700 H LYS 90 H LYS 90 5.323 -5.645 8.979 701 HA LYS 90 HA LYS 90 5.592 -2.974 8.011 702 HB2 LYS 90 2HB LYS 90 6.255 -4.288 10.670 703 HB3 LYS 90 3HB LYS 90 6.463 -2.549 10.410 704 HG2 LYS 90 2HG LYS 90 4.193 -2.147 10.097 705 HG3 LYS 90 3HG LYS 90 3.843 -3.812 9.649 706 HD2 LYS 90 2HD LYS 90 2.855 -3.380 11.768 707 HD3 LYS 90 3HD LYS 90 4.156 -4.559 11.965 708 HE2 LYS 90 2HE LYS 90 5.638 -2.790 12.851 709 HE3 LYS 90 3HE LYS 90 4.371 -1.584 12.572 710 HZ1 LYS 90 3HZ LYS 90 4.140 -3.900 14.426 711 HZ2 LYS 90 1HZ LYS 90 4.347 -2.346 14.885 712 HZ3 LYS 90 2HZ LYS 90 2.954 -2.809 14.149 713 H GLU 91 H GLU 91 8.147 -5.280 8.968 714 HA GLU 91 HA GLU 91 10.326 -3.485 8.294 715 HB2 GLU 91 2HB GLU 91 10.177 -6.512 8.531 716 HB3 GLU 91 3HB GLU 91 11.668 -5.622 8.224 717 HG2 GLU 91 2HG GLU 91 9.909 -5.240 10.688 718 HG3 GLU 91 3HG GLU 91 11.341 -6.253 10.617 719 H ALA 92 H ALA 92 8.751 -6.151 6.387 720 HA ALA 92 HA ALA 92 10.446 -5.864 4.152 721 HB1 ALA 92 1HB ALA 92 7.593 -6.888 4.302 722 HB2 ALA 92 2HB ALA 92 8.740 -7.179 2.973 723 HB3 ALA 92 3HB ALA 92 9.081 -7.827 4.588 724 H LEU 93 H LEU 93 7.404 -4.088 4.831 725 HA LEU 93 HA LEU 93 7.191 -2.877 2.223 726 HB2 LEU 93 2HB LEU 93 6.145 -2.089 4.962 727 HB3 LEU 93 3HB LEU 93 5.688 -1.260 3.475 728 HG LEU 93 HG LEU 93 5.182 -4.235 3.927 729 HD11 LEU 93 1HD1 LEU 93 3.971 -2.875 5.589 730 HD12 LEU 93 2HD1 LEU 93 3.308 -1.860 4.284 731 HD13 LEU 93 3HD1 LEU 93 2.865 -3.579 4.402 732 HD21 LEU 93 3HD2 LEU 93 3.600 -3.996 2.095 733 HD22 LEU 93 1HD2 LEU 93 4.037 -2.283 1.916 734 HD23 LEU 93 2HD2 LEU 93 5.233 -3.562 1.574 735 H LYS 94 H LYS 94 8.875 -1.812 5.192 736 HA LYS 94 HA LYS 94 9.896 0.665 4.076 737 HB2 LYS 94 2HB LYS 94 10.803 -1.064 6.409 738 HB3 LYS 94 3HB LYS 94 11.497 0.506 5.998 739 HG2 LYS 94 2HG LYS 94 9.329 1.614 6.374 740 HG3 LYS 94 3HG LYS 94 8.585 0.066 6.794 741 HD2 LYS 94 2HD LYS 94 10.877 1.412 8.296 742 HD3 LYS 94 3HD LYS 94 9.180 1.380 8.801 743 HE2 LYS 94 2HE LYS 94 9.252 -1.093 8.947 744 HE3 LYS 94 3HE LYS 94 10.938 -1.087 8.427 745 HZ1 LYS 94 3HZ LYS 94 9.922 0.064 10.960 746 HZ2 LYS 94 1HZ LYS 94 10.831 -1.299 10.767 747 HZ3 LYS 94 2HZ LYS 94 11.479 0.171 10.449 748 H LYS 95 H LYS 95 11.193 -2.697 4.429 749 HA LYS 95 HA LYS 95 13.817 -2.120 3.529 750 HB2 LYS 95 2HB LYS 95 12.118 -4.628 3.456 751 HB3 LYS 95 3HB LYS 95 13.740 -4.649 2.804 752 HG2 LYS 95 2HG LYS 95 13.159 -3.722 5.647 753 HG3 LYS 95 3HG LYS 95 13.444 -5.411 5.241 754 HD2 LYS 95 2HD LYS 95 15.431 -3.147 4.743 755 HD3 LYS 95 3HD LYS 95 15.440 -4.239 6.132 756 HE2 LYS 95 2HE LYS 95 15.680 -6.190 4.591 757 HE3 LYS 95 3HE LYS 95 15.755 -5.081 3.216 758 HZ1 LYS 95 3HZ LYS 95 17.763 -4.103 4.196 759 HZ2 LYS 95 1HZ LYS 95 17.697 -5.132 5.465 760 HZ3 LYS 95 2HZ LYS 95 17.976 -5.704 3.964 761 H GLN 96 H GLN 96 10.976 -2.437 1.592 762 HA GLN 96 HA GLN 96 12.447 -2.645 -0.961 763 HB2 GLN 96 2HB GLN 96 9.510 -2.598 -0.188 764 HB3 GLN 96 3HB GLN 96 10.079 -2.637 -1.858 765 HG2 GLN 96 2HG GLN 96 11.211 -4.756 -1.536 766 HG3 GLN 96 3HG GLN 96 10.872 -4.742 0.195 767 HE21 GLN 96 2HE2 GLN 96 8.570 -4.831 0.874 768 HE22 GLN 96 1HE2 GLN 96 7.418 -5.666 -0.183 769 H LEU 97 H LEU 97 11.135 -0.063 1.021 770 HA LEU 97 HA LEU 97 12.243 1.859 -0.897 771 HB2 LEU 97 2HB LEU 97 10.240 3.307 -0.910 772 HB3 LEU 97 3HB LEU 97 10.038 1.820 -1.800 773 HG LEU 97 HG LEU 97 9.107 1.660 1.037 774 HD11 LEU 97 1HD1 LEU 97 7.623 3.365 -0.998 775 HD12 LEU 97 2HD1 LEU 97 7.016 2.851 0.592 776 HD13 LEU 97 3HD1 LEU 97 8.404 3.947 0.491 777 HD21 LEU 97 3HD2 LEU 97 7.761 0.987 -1.622 778 HD22 LEU 97 1HD2 LEU 97 8.741 -0.146 -0.662 779 HD23 LEU 97 2HD2 LEU 97 7.245 0.498 0.004 780 HA PRO 98 HA PRO 98 12.448 2.320 3.696 781 HB2 PRO 98 2HB PRO 98 15.181 2.246 4.191 782 HB3 PRO 98 3HB PRO 98 14.112 0.826 4.057 783 HG2 PRO 98 2HG PRO 98 15.976 1.970 1.993 784 HG3 PRO 98 3HG PRO 98 15.569 0.251 2.331 785 HD2 PRO 98 2HD PRO 98 14.499 1.716 0.242 786 HD3 PRO 98 3HD PRO 98 13.704 0.323 1.022 787 H GLY 99 H GLY 99 12.573 4.167 4.959 788 HA2 GLY 99 2HA GLY 99 13.211 6.656 3.614 789 HA3 GLY 99 3HA GLY 99 12.384 6.434 5.150 790 H VAL 100 H VAL 100 13.610 8.315 5.609 791 HA VAL 100 HA VAL 100 16.467 8.242 6.121 792 HB VAL 100 HB VAL 100 14.326 10.121 7.200 793 HG11 VAL 100 1HG1 VAL 100 17.376 10.350 7.211 794 HG12 VAL 100 2HG1 VAL 100 16.253 11.672 7.608 795 HG13 VAL 100 3HG1 VAL 100 16.316 10.240 8.636 796 HG21 VAL 100 3HG2 VAL 100 16.269 10.388 4.858 797 HG22 VAL 100 1HG2 VAL 100 14.502 10.237 4.750 798 HG23 VAL 100 2HG2 VAL 100 15.210 11.680 5.467 799 H LYS 101 H LYS 101 17.569 7.950 7.893 800 HA LYS 101 HA LYS 101 16.466 5.929 9.643 801 HB2 LYS 101 2HB LYS 101 18.660 5.877 8.329 802 HB3 LYS 101 3HB LYS 101 19.350 6.892 9.608 803 HG2 LYS 101 2HG LYS 101 18.734 5.195 11.282 804 HG3 LYS 101 3HG LYS 101 17.883 4.261 10.029 805 HD2 LYS 101 2HD LYS 101 20.047 3.942 8.822 806 HD3 LYS 101 3HD LYS 101 20.890 4.762 10.157 807 HE2 LYS 101 2HE LYS 101 20.125 3.040 11.737 808 HE3 LYS 101 3HE LYS 101 19.130 2.287 10.487 809 HZ1 LYS 101 3HZ LYS 101 21.247 1.113 10.759 810 HZ2 LYS 101 1HZ LYS 101 21.148 1.742 9.260 811 HZ3 LYS 101 2HZ LYS 101 22.097 2.459 10.375 812 H SER 102 H SER 102 15.000 7.370 10.722 813 HA SER 102 HA SER 102 16.024 8.952 12.985 814 HB2 SER 102 2HB SER 102 13.616 9.335 13.436 815 HB3 SER 102 3HB SER 102 14.091 9.769 11.788 816 HG SER 102 HG SER 102 12.143 8.580 11.803 817 H GLU 103 H GLU 103 15.934 5.714 12.577 818 HA GLU 103 HA GLU 103 15.701 5.117 15.434 819 HB2 GLU 103 2HB GLU 103 13.365 5.007 14.472 820 HB3 GLU 103 3HB GLU 103 13.909 3.766 13.352 821 HG2 GLU 103 2HG GLU 103 12.651 2.894 15.313 822 HG3 GLU 103 3HG GLU 103 14.254 2.193 15.163 823 H GLY 104 H GLY 104 16.385 2.889 15.940 824 HA2 GLY 104 2HA GLY 104 17.314 0.821 15.563 825 HA3 GLY 104 3HA GLY 104 17.471 1.184 13.848 826 H LYS 105 H LYS 105 19.079 3.690 14.737 827 HA LYS 105 HA LYS 105 21.454 2.597 16.080 828 HB2 LYS 105 2HB LYS 105 21.819 2.003 13.663 829 HB3 LYS 105 3HB LYS 105 21.796 3.728 13.264 830 HG2 LYS 105 2HG LYS 105 23.767 4.099 14.717 831 HG3 LYS 105 3HG LYS 105 23.731 2.398 15.221 832 HD2 LYS 105 2HD LYS 105 24.178 1.700 12.880 833 HD3 LYS 105 3HD LYS 105 24.219 3.410 12.382 834 HE2 LYS 105 2HE LYS 105 26.102 3.818 13.950 835 HE3 LYS 105 3HE LYS 105 26.057 2.124 14.456 836 HZ1 LYS 105 3HZ LYS 105 26.624 1.493 12.169 837 HZ2 LYS 105 1HZ LYS 105 26.668 3.060 11.699 838 HZ3 LYS 105 2HZ LYS 105 27.761 2.495 12.769 839 H ARG 106 H ARG 106 20.078 5.396 14.372 840 HA ARG 106 HA ARG 106 21.269 7.246 16.406 841 HB2 ARG 106 2HB ARG 106 22.454 7.312 14.231 842 HB3 ARG 106 3HB ARG 106 20.938 7.691 13.406 843 HG2 ARG 106 2HG ARG 106 20.782 9.832 14.625 844 HG3 ARG 106 3HG ARG 106 22.243 9.431 15.553 845 HD2 ARG 106 2HD ARG 106 23.568 9.397 13.477 846 HD3 ARG 106 3HD ARG 106 22.130 9.731 12.515 847 HE ARG 106 HE ARG 106 23.638 11.610 14.231 848 HH11 ARG 106 1HH2 ARG 106 20.703 11.264 12.266 849 HH12 ARG 106 2HH2 ARG 106 20.518 13.024 12.229 850 HH21 ARG 106 1HH1 ARG 106 23.202 13.829 14.027 851 HH22 ARG 106 2HH1 ARG 106 21.771 14.294 13.101 852 H LYS 107 H LYS 107 20.020 8.797 17.212 853 HA LYS 107 HA LYS 107 17.317 9.402 16.098 854 HB2 LYS 107 2HB LYS 107 17.845 8.832 19.049 855 HB3 LYS 107 3HB LYS 107 16.344 9.431 18.337 856 HG2 LYS 107 2HG LYS 107 16.363 7.262 16.906 857 HG3 LYS 107 3HG LYS 107 17.639 6.703 17.981 858 HD2 LYS 107 2HD LYS 107 15.595 5.793 18.818 859 HD3 LYS 107 3HD LYS 107 16.096 7.060 19.932 860 HE2 LYS 107 2HE LYS 107 13.735 7.272 19.638 861 HE3 LYS 107 3HE LYS 107 14.475 8.635 18.799 862 HZ1 LYS 107 3HZ LYS 107 14.179 7.369 16.694 863 HZ2 LYS 107 1HZ LYS 107 13.489 6.130 17.527 864 HZ3 LYS 107 2HZ LYS 107 12.744 7.583 17.454 865 H GLY 108 H GLY 108 18.615 11.127 15.211 866 HA2 GLY 108 2HA GLY 108 20.151 12.931 16.807 867 HA3 GLY 108 3HA GLY 108 19.665 13.165 15.130 868 H ASP 109 H ASP 109 16.740 12.895 16.454 869 HA ASP 109 HA ASP 109 15.056 14.358 16.738 870 HB2 ASP 109 2HB ASP 109 16.048 14.206 19.022 871 HB3 ASP 109 3HB ASP 109 16.909 15.713 18.718 872 H GLU 110 H GLU 110 16.423 14.856 14.476 873 HA GLU 110 HA GLU 110 16.632 17.769 14.114 874 HB2 GLU 110 2HB GLU 110 17.094 15.417 12.239 875 HB3 GLU 110 3HB GLU 110 17.256 17.111 11.759 876 HG2 GLU 110 2HG GLU 110 19.006 17.470 13.454 877 HG3 GLU 110 3HG GLU 110 18.850 15.800 14.002 878 H VAL 111 H VAL 111 15.593 18.714 12.115 879 HA VAL 111 HA VAL 111 12.728 18.509 12.464 880 HB VAL 111 HB VAL 111 12.602 20.488 11.020 881 HG11 VAL 111 1HG1 VAL 111 13.023 20.711 13.440 882 HG12 VAL 111 2HG1 VAL 111 14.773 20.732 13.137 883 HG13 VAL 111 3HG1 VAL 111 13.742 22.026 12.499 884 HG21 VAL 111 3HG2 VAL 111 15.645 20.305 10.804 885 HG22 VAL 111 1HG2 VAL 111 14.504 19.997 9.477 886 HG23 VAL 111 2HG2 VAL 111 14.604 21.608 10.201 887 H ASP 112 H ASP 112 14.027 16.236 11.062 888 HA ASP 112 HA ASP 112 12.900 16.202 8.331 889 HB2 ASP 112 2HB ASP 112 15.060 15.146 8.723 890 HB3 ASP 112 3HB ASP 112 14.373 14.110 9.970 Start of MODEL 28 1 H1 GLY 1 H1 GLY 1 2.018 25.926 9.196 2 H2 GLY 1 H2 GLY 1 2.455 24.414 8.740 3 H3 GLY 1 H3 GLY 1 3.411 25.270 9.757 4 HA2 GLY 1 2HA GLY 1 1.737 25.226 11.480 5 HA3 GLY 1 3HA GLY 1 0.688 24.318 10.376 6 H SER 2 H SER 2 1.803 23.592 13.044 7 HA SER 2 HA SER 2 3.851 21.605 12.751 8 HB2 SER 2 2HB SER 2 1.789 21.947 14.958 9 HB3 SER 2 3HB SER 2 3.282 20.993 15.052 10 HG SER 2 HG SER 2 3.532 23.094 15.956 11 H LYS 3 H LYS 3 3.740 19.352 13.021 12 HA LYS 3 HA LYS 3 1.157 17.948 12.516 13 HB2 LYS 3 2HB LYS 3 2.324 18.287 10.351 14 HB3 LYS 3 3HB LYS 3 3.761 17.490 11.000 15 HG2 LYS 3 2HG LYS 3 2.448 15.382 11.276 16 HG3 LYS 3 3HG LYS 3 1.021 16.200 10.607 17 HD2 LYS 3 2HD LYS 3 2.218 16.557 8.463 18 HD3 LYS 3 3HD LYS 3 3.692 15.884 9.169 19 HE2 LYS 3 2HE LYS 3 2.842 14.124 7.893 20 HE3 LYS 3 3HE LYS 3 2.429 13.713 9.556 21 HZ1 LYS 3 3HZ LYS 3 0.557 13.327 8.138 22 HZ2 LYS 3 1HZ LYS 3 0.146 14.589 9.084 23 HZ3 LYS 3 2HZ LYS 3 0.578 14.849 7.521 24 H ALA 4 H ALA 4 0.902 16.125 13.654 25 HA ALA 4 HA ALA 4 3.175 14.705 14.885 26 HB1 ALA 4 1HB ALA 4 2.120 14.790 17.133 27 HB2 ALA 4 2HB ALA 4 2.558 16.411 16.568 28 HB3 ALA 4 3HB ALA 4 0.862 15.879 16.508 29 H GLU 5 H GLU 5 2.471 13.410 13.061 30 HA GLU 5 HA GLU 5 0.204 11.553 13.644 31 HB2 GLU 5 2HB GLU 5 0.744 13.144 11.115 32 HB3 GLU 5 3HB GLU 5 -0.381 11.776 11.194 33 HG2 GLU 5 2HG GLU 5 -1.710 13.004 12.918 34 HG3 GLU 5 3HG GLU 5 -0.638 14.401 12.724 35 H LYS 6 H LYS 6 0.390 9.499 12.696 36 HA LYS 6 HA LYS 6 3.113 8.641 12.027 37 HB2 LYS 6 2HB LYS 6 1.675 7.419 13.623 38 HB3 LYS 6 3HB LYS 6 0.521 7.073 12.340 39 HG2 LYS 6 2HG LYS 6 1.924 5.150 12.920 40 HG3 LYS 6 3HG LYS 6 2.101 5.593 11.230 41 HD2 LYS 6 2HD LYS 6 4.252 6.745 11.765 42 HD3 LYS 6 3HD LYS 6 4.078 6.292 13.461 43 HE2 LYS 6 2HE LYS 6 4.242 4.331 11.120 44 HE3 LYS 6 3HE LYS 6 5.635 4.875 12.058 45 HZ1 LYS 6 3HZ LYS 6 3.349 3.294 13.110 46 HZ2 LYS 6 1HZ LYS 6 4.898 2.807 12.968 47 HZ3 LYS 6 2HZ LYS 6 4.512 3.950 14.062 48 H THR 7 H THR 7 0.561 9.755 10.122 49 HA THR 7 HA THR 7 1.581 8.332 7.683 50 HB THR 7 HB THR 7 -1.201 9.449 8.039 51 HG1 THR 7 1HG THR 7 -0.949 7.766 9.478 52 HG21 THR 7 1HG2 THR 7 -0.152 8.860 5.646 53 HG22 THR 7 2HG2 THR 7 -0.526 7.223 6.128 54 HG23 THR 7 3HG2 THR 7 -1.797 8.470 6.050 55 H LEU 8 H LEU 8 1.982 9.567 5.841 56 HA LEU 8 HA LEU 8 2.325 12.424 6.211 57 HB2 LEU 8 2HB LEU 8 3.360 12.527 4.217 58 HB3 LEU 8 3HB LEU 8 3.693 10.874 4.689 59 HG LEU 8 HG LEU 8 1.599 11.812 2.670 60 HD11 LEU 8 1HD1 LEU 8 4.206 10.298 2.254 61 HD12 LEU 8 2HD1 LEU 8 3.055 10.798 1.001 62 HD13 LEU 8 3HD1 LEU 8 3.949 12.024 1.907 63 HD21 LEU 8 3HD2 LEU 8 2.436 8.998 3.464 64 HD22 LEU 8 1HD2 LEU 8 0.838 9.692 3.712 65 HD23 LEU 8 2HD2 LEU 8 1.399 9.408 2.074 66 H GLY 9 H GLY 9 -0.378 10.566 5.019 67 HA2 GLY 9 2HA GLY 9 -2.521 11.667 5.434 68 HA3 GLY 9 3HA GLY 9 -1.933 13.089 4.596 69 H ASP 10 H ASP 10 -1.070 10.258 2.720 70 HA ASP 10 HA ASP 10 -3.647 10.311 1.298 71 HB2 ASP 10 2HB ASP 10 -2.817 11.096 -0.769 72 HB3 ASP 10 3HB ASP 10 -2.401 12.273 0.458 73 H PHE 11 H PHE 11 -1.505 8.198 2.489 74 HA PHE 11 HA PHE 11 -2.698 6.232 0.721 75 HB2 PHE 11 2HB PHE 11 -0.471 4.983 0.433 76 HB3 PHE 11 3HB PHE 11 -0.946 6.250 -0.641 77 HD1 PHE 11 HD1 PHE 11 1.110 6.081 2.573 78 HD2 PHE 11 HD2 PHE 11 0.706 7.576 -1.457 79 HE1 PHE 11 HE1 PHE 11 3.428 6.923 2.645 80 HE2 PHE 11 HE2 PHE 11 2.998 8.503 -1.335 81 HZ PHE 11 HZ PHE 11 4.375 8.155 0.709 82 H ALA 12 H ALA 12 -2.671 4.068 1.441 83 HA ALA 12 HA ALA 12 -2.581 3.814 4.410 84 HB1 ALA 12 1HB ALA 12 -4.941 3.194 2.594 85 HB2 ALA 12 2HB ALA 12 -4.895 3.031 4.358 86 HB3 ALA 12 3HB ALA 12 -4.804 4.639 3.603 87 H ALA 13 H ALA 13 -2.719 1.686 5.236 88 HA ALA 13 HA ALA 13 -2.228 -0.592 3.387 89 HB1 ALA 13 1HB ALA 13 -0.671 0.121 5.916 90 HB2 ALA 13 2HB ALA 13 -0.373 -1.264 4.830 91 HB3 ALA 13 3HB ALA 13 -0.113 0.398 4.256 92 H GLU 14 H GLU 14 -3.145 -2.525 4.002 93 HA GLU 14 HA GLU 14 -4.212 -2.994 6.704 94 HB2 GLU 14 2HB GLU 14 -5.947 -1.674 5.208 95 HB3 GLU 14 3HB GLU 14 -6.096 -3.193 4.325 96 HG2 GLU 14 2HG GLU 14 -6.755 -4.303 6.514 97 HG3 GLU 14 3HG GLU 14 -6.582 -2.744 7.306 98 H TYR 15 H TYR 15 -5.100 -5.372 6.762 99 HA TYR 15 HA TYR 15 -3.945 -7.159 4.690 100 HB2 TYR 15 2HB TYR 15 -5.971 -7.735 6.859 101 HB3 TYR 15 3HB TYR 15 -5.156 -8.914 5.840 102 HD1 TYR 15 HD2 TYR 15 -2.287 -7.742 5.991 103 HD2 TYR 15 HD1 TYR 15 -5.314 -8.492 8.985 104 HE1 TYR 15 HE2 TYR 15 -0.515 -8.108 7.689 105 HE2 TYR 15 HE1 TYR 15 -3.542 -8.817 10.686 106 HH TYR 15 HH TYR 15 -1.324 -8.952 11.088 107 H ALA 16 H ALA 16 -5.095 -8.194 3.120 108 HA ALA 16 HA ALA 16 -7.421 -6.920 2.016 109 HB1 ALA 16 1HB ALA 16 -6.043 -9.529 1.437 110 HB2 ALA 16 2HB ALA 16 -7.284 -8.773 0.404 111 HB3 ALA 16 3HB ALA 16 -5.718 -7.968 0.661 112 H LYS 17 H LYS 17 -8.995 -6.921 3.698 113 HA LYS 17 HA LYS 17 -9.948 -9.298 5.013 114 HB2 LYS 17 2HB LYS 17 -11.434 -6.680 4.557 115 HB3 LYS 17 3HB LYS 17 -11.804 -7.904 5.774 116 HG2 LYS 17 2HG LYS 17 -9.548 -7.524 6.808 117 HG3 LYS 17 3HG LYS 17 -9.272 -6.213 5.662 118 HD2 LYS 17 2HD LYS 17 -11.396 -6.287 7.831 119 HD3 LYS 17 3HD LYS 17 -9.925 -5.306 7.777 120 HE2 LYS 17 2HE LYS 17 -10.937 -4.415 5.501 121 HE3 LYS 17 3HE LYS 17 -12.466 -5.032 6.150 122 HZ1 LYS 17 3HZ LYS 17 -12.205 -2.744 6.788 123 HZ2 LYS 17 1HZ LYS 17 -11.950 -3.603 8.159 124 HZ3 LYS 17 2HZ LYS 17 -10.678 -2.971 7.310 125 H SER 18 H SER 18 -10.456 -8.219 1.831 126 HA SER 18 HA SER 18 -12.420 -10.357 1.271 127 HB2 SER 18 2HB SER 18 -13.699 -8.775 -0.157 128 HB3 SER 18 3HB SER 18 -13.738 -8.317 1.552 129 HG SER 18 HG SER 18 -13.309 -6.507 0.243 130 H ASN 19 H ASN 19 -12.409 -11.024 -0.963 131 HA ASN 19 HA ASN 19 -9.907 -10.473 -2.438 132 HB2 ASN 19 2HB ASN 19 -10.749 -12.804 -2.004 133 HB3 ASN 19 3HB ASN 19 -12.137 -12.458 -3.031 134 HD21 ASN 19 2HD2 ASN 19 -8.731 -11.436 -3.764 135 HD22 ASN 19 1HD2 ASN 19 -8.449 -12.740 -4.901 136 H ARG 20 H ARG 20 -12.295 -8.587 -2.113 137 HA ARG 20 HA ARG 20 -13.321 -8.180 -4.856 138 HB2 ARG 20 2HB ARG 20 -13.947 -6.878 -2.184 139 HB3 ARG 20 3HB ARG 20 -14.693 -6.428 -3.727 140 HG2 ARG 20 2HG ARG 20 -15.442 -8.826 -4.014 141 HG3 ARG 20 3HG ARG 20 -14.863 -9.156 -2.367 142 HD2 ARG 20 2HD ARG 20 -16.374 -7.382 -1.506 143 HD3 ARG 20 3HD ARG 20 -16.947 -7.094 -3.166 144 HE ARG 20 HE ARG 20 -17.288 -9.856 -2.577 145 HH11 ARG 20 1HH2 ARG 20 -18.718 -6.820 -1.574 146 HH12 ARG 20 2HH2 ARG 20 -20.248 -7.562 -1.189 147 HH21 ARG 20 1HH1 ARG 20 -19.262 -10.739 -2.064 148 HH22 ARG 20 2HH1 ARG 20 -20.540 -9.724 -1.463 149 H SER 21 H SER 21 -10.878 -6.760 -2.787 150 HA SER 21 HA SER 21 -10.478 -4.306 -4.248 151 HB2 SER 21 2HB SER 21 -8.516 -6.033 -2.687 152 HB3 SER 21 3HB SER 21 -8.178 -4.397 -3.289 153 HG SER 21 HG SER 21 -9.861 -3.627 -1.974 154 H THR 22 H THR 22 -9.109 -3.844 -5.985 155 HA THR 22 HA THR 22 -7.749 -6.103 -7.388 156 HB THR 22 HB THR 22 -9.344 -3.929 -8.741 157 HG1 THR 22 1HG THR 22 -10.688 -5.511 -7.857 158 HG21 THR 22 1HG2 THR 22 -7.442 -4.661 -10.145 159 HG22 THR 22 2HG2 THR 22 -7.968 -6.353 -9.956 160 HG23 THR 22 3HG2 THR 22 -8.986 -5.189 -10.820 161 H CYS 23 HN CYS 23 -5.768 -5.646 -8.103 162 HA CYS 23 HA CYS 23 -4.501 -3.265 -7.065 163 HB2 CYS 23 2HB CYS 23 -3.412 -5.357 -6.822 164 HB3 CYS 23 3HB CYS 23 -3.672 -5.753 -8.520 165 H LYS 24 H LYS 24 -4.660 -1.396 -8.159 166 HA LYS 24 HA LYS 24 -4.888 -1.225 -11.080 167 HB2 LYS 24 2HB LYS 24 -4.660 0.713 -8.764 168 HB3 LYS 24 3HB LYS 24 -4.397 1.284 -10.415 169 HG2 LYS 24 2HG LYS 24 -6.695 1.625 -9.864 170 HG3 LYS 24 3HG LYS 24 -6.581 0.422 -11.126 171 HD2 LYS 24 2HD LYS 24 -7.166 -1.355 -9.568 172 HD3 LYS 24 3HD LYS 24 -6.927 -0.281 -8.185 173 HE2 LYS 24 2HE LYS 24 -9.282 -0.566 -8.506 174 HE3 LYS 24 3HE LYS 24 -8.858 1.098 -8.902 175 HZ1 LYS 24 3HZ LYS 24 -8.960 0.490 -11.268 176 HZ2 LYS 24 1HZ LYS 24 -9.339 -1.064 -10.893 177 HZ3 LYS 24 2HZ LYS 24 -10.373 0.141 -10.539 178 H GLY 25 H GLY 25 -2.293 -1.863 -9.070 179 HA2 GLY 25 2HA GLY 25 -0.144 -0.618 -10.591 180 HA3 GLY 25 3HA GLY 25 -0.001 -1.899 -9.384 181 H CYS 26 HN CYS 26 -1.796 -3.755 -10.825 182 HA CYS 26 HA CYS 26 -0.416 -4.182 -13.409 183 HB2 CYS 26 2HB CYS 26 0.114 -6.472 -12.978 184 HB3 CYS 26 3HB CYS 26 0.844 -5.473 -11.723 185 H MET 27 H MET 27 -3.367 -4.071 -11.891 186 HA MET 27 HA MET 27 -5.440 -4.525 -12.386 187 HB2 MET 27 2HB MET 27 -4.734 -3.434 -14.558 188 HB3 MET 27 3HB MET 27 -4.721 -5.041 -15.274 189 HG2 MET 27 2HG MET 27 -6.820 -3.743 -15.636 190 HG3 MET 27 3HG MET 27 -7.076 -5.317 -14.898 191 HE1 MET 27 3HE MET 27 -6.691 -1.437 -14.050 192 HE2 MET 27 1HE MET 27 -7.250 -1.429 -12.361 193 HE3 MET 27 2HE MET 27 -5.740 -2.253 -12.784 194 H GLU 28 H GLU 28 -4.566 -6.358 -10.962 195 HA GLU 28 HA GLU 28 -6.109 -8.726 -11.834 196 HB2 GLU 28 2HB GLU 28 -3.308 -8.942 -10.646 197 HB3 GLU 28 3HB GLU 28 -4.483 -10.254 -10.736 198 HG2 GLU 28 2HG GLU 28 -4.554 -9.931 -13.249 199 HG3 GLU 28 3HG GLU 28 -3.202 -8.804 -13.085 200 H LYS 29 H LYS 29 -6.967 -9.931 -10.009 201 HA LYS 29 HA LYS 29 -7.889 -8.078 -8.019 202 HB2 LYS 29 2HB LYS 29 -9.192 -9.888 -7.110 203 HB3 LYS 29 3HB LYS 29 -9.366 -9.798 -8.862 204 HG2 LYS 29 2HG LYS 29 -7.857 -11.724 -9.155 205 HG3 LYS 29 3HG LYS 29 -7.549 -11.772 -7.406 206 HD2 LYS 29 2HD LYS 29 -10.005 -12.130 -7.025 207 HD3 LYS 29 3HD LYS 29 -10.220 -12.287 -8.779 208 HE2 LYS 29 2HE LYS 29 -8.762 -14.231 -8.850 209 HE3 LYS 29 3HE LYS 29 -8.252 -13.975 -7.176 210 HZ1 LYS 29 3HZ LYS 29 -10.509 -14.441 -6.450 211 HZ2 LYS 29 1HZ LYS 29 -11.014 -14.696 -7.992 212 HZ3 LYS 29 2HZ LYS 29 -9.932 -15.711 -7.306 213 H ILE 30 H ILE 30 -7.486 -7.862 -5.903 214 HA ILE 30 HA ILE 30 -4.921 -8.904 -4.914 215 HB ILE 30 HB ILE 30 -6.918 -6.890 -3.906 216 HG12 ILE 30 2HG1 ILE 30 -3.965 -6.551 -4.579 217 HG13 ILE 30 3HG1 ILE 30 -5.204 -6.465 -5.821 218 HG21 ILE 30 1HG2 ILE 30 -4.351 -7.713 -2.494 219 HG22 ILE 30 2HG2 ILE 30 -5.433 -6.377 -2.052 220 HG23 ILE 30 3HG2 ILE 30 -6.001 -8.032 -1.896 221 HD11 ILE 30 3HD1 ILE 30 -6.285 -4.588 -4.683 222 HD12 ILE 30 1HD1 ILE 30 -5.026 -4.617 -3.416 223 HD13 ILE 30 2HD1 ILE 30 -4.602 -4.252 -5.097 224 H GLU 31 H GLU 31 -4.613 -10.547 -3.564 225 HA GLU 31 HA GLU 31 -6.819 -12.364 -3.119 226 HB2 GLU 31 2HB GLU 31 -3.886 -12.543 -2.386 227 HB3 GLU 31 3HB GLU 31 -5.055 -13.853 -2.206 228 HG2 GLU 31 2HG GLU 31 -4.302 -12.531 -4.848 229 HG3 GLU 31 3HG GLU 31 -3.625 -14.022 -4.218 230 H LYS 32 H LYS 32 -7.841 -12.921 -1.333 231 HA LYS 32 HA LYS 32 -7.885 -11.207 0.956 232 HB2 LYS 32 2HB LYS 32 -9.781 -12.639 0.144 233 HB3 LYS 32 3HB LYS 32 -8.922 -14.061 0.752 234 HG2 LYS 32 2HG LYS 32 -8.987 -13.028 3.064 235 HG3 LYS 32 3HG LYS 32 -9.929 -11.682 2.385 236 HD2 LYS 32 2HD LYS 32 -11.692 -13.268 1.704 237 HD3 LYS 32 3HD LYS 32 -10.725 -14.613 2.359 238 HE2 LYS 32 2HE LYS 32 -10.816 -13.576 4.615 239 HE3 LYS 32 3HE LYS 32 -11.787 -12.248 3.971 240 HZ1 LYS 32 3HZ LYS 32 -12.620 -15.102 4.001 241 HZ2 LYS 32 1HZ LYS 32 -13.184 -13.942 5.001 242 HZ3 LYS 32 2HZ LYS 32 -13.518 -13.872 3.406 243 H GLY 33 H GLY 33 -7.064 -11.393 2.973 244 HA2 GLY 33 2HA GLY 33 -5.805 -12.129 4.757 245 HA3 GLY 33 3HA GLY 33 -5.633 -13.693 3.968 246 H GLN 34 H GLN 34 -4.381 -11.166 1.948 247 HA GLN 34 HA GLN 34 -1.749 -11.161 3.312 248 HB2 GLN 34 2HB GLN 34 -0.565 -11.140 1.205 249 HB3 GLN 34 3HB GLN 34 -1.444 -12.629 1.470 250 HG2 GLN 34 2HG GLN 34 -1.637 -12.129 -0.856 251 HG3 GLN 34 3HG GLN 34 -3.212 -11.846 -0.152 252 HE21 GLN 34 2HE2 GLN 34 -4.104 -9.763 -0.475 253 HE22 GLN 34 1HE2 GLN 34 -3.089 -8.347 -0.499 254 H VAL 35 H VAL 35 -0.489 -9.091 2.727 255 HA VAL 35 HA VAL 35 -2.109 -6.907 3.535 256 HB VAL 35 HB VAL 35 0.696 -7.010 2.410 257 HG11 VAL 35 1HG1 VAL 35 -0.707 -4.609 3.665 258 HG12 VAL 35 2HG1 VAL 35 1.039 -4.746 3.374 259 HG13 VAL 35 3HG1 VAL 35 -0.069 -4.715 2.009 260 HG21 VAL 35 3HG2 VAL 35 0.313 -8.094 4.621 261 HG22 VAL 35 1HG2 VAL 35 1.341 -6.665 4.736 262 HG23 VAL 35 2HG2 VAL 35 -0.359 -6.564 5.232 263 H ARG 36 H ARG 36 -2.883 -5.053 2.557 264 HA ARG 36 HA ARG 36 -2.606 -4.721 -0.372 265 HB2 ARG 36 2HB ARG 36 -4.916 -4.103 -0.682 266 HB3 ARG 36 3HB ARG 36 -4.768 -5.765 -0.103 267 HG2 ARG 36 2HG ARG 36 -5.536 -5.179 2.095 268 HG3 ARG 36 3HG ARG 36 -5.532 -3.461 1.724 269 HD2 ARG 36 2HD ARG 36 -7.293 -3.765 0.031 270 HD3 ARG 36 3HD ARG 36 -7.255 -5.513 0.278 271 HE ARG 36 HE ARG 36 -7.811 -3.947 2.710 272 HH11 ARG 36 1HH2 ARG 36 -9.509 -5.330 -0.047 273 HH12 ARG 36 2HH2 ARG 36 -10.878 -5.778 0.915 274 HH21 ARG 36 1HH1 ARG 36 -9.640 -4.151 3.718 275 HH22 ARG 36 2HH1 ARG 36 -11.049 -4.888 2.949 276 H LEU 37 H LEU 37 -2.166 -2.696 -0.987 277 HA LEU 37 HA LEU 37 -2.262 -0.532 1.066 278 HB2 LEU 37 2HB LEU 37 -0.387 -0.599 -1.312 279 HB3 LEU 37 3HB LEU 37 -0.418 0.498 0.100 280 HG LEU 37 HG LEU 37 1.469 -0.713 0.375 281 HD11 LEU 37 1HD1 LEU 37 -0.486 -2.204 2.138 282 HD12 LEU 37 2HD1 LEU 37 1.228 -1.852 2.443 283 HD13 LEU 37 3HD1 LEU 37 0.049 -0.528 2.349 284 HD21 LEU 37 3HD2 LEU 37 0.021 -3.380 0.026 285 HD22 LEU 37 1HD2 LEU 37 0.987 -2.582 -1.227 286 HD23 LEU 37 2HD2 LEU 37 1.748 -3.098 0.293 287 H SER 38 H SER 38 -2.855 1.593 0.316 288 HA SER 38 HA SER 38 -3.778 1.804 -2.460 289 HB2 SER 38 2HB SER 38 -5.957 2.797 -1.810 290 HB3 SER 38 3HB SER 38 -5.808 1.102 -1.356 291 HG SER 38 HG SER 38 -6.614 2.143 0.412 292 H LYS 39 H LYS 39 -4.185 3.919 -3.215 293 HA LYS 39 HA LYS 39 -3.048 6.134 -1.540 294 HB2 LYS 39 2HB LYS 39 -1.498 5.859 -3.298 295 HB3 LYS 39 3HB LYS 39 -2.766 5.679 -4.525 296 HG2 LYS 39 2HG LYS 39 -3.359 7.963 -4.454 297 HG3 LYS 39 3HG LYS 39 -2.550 8.218 -2.898 298 HD2 LYS 39 2HD LYS 39 -0.379 8.098 -3.883 299 HD3 LYS 39 3HD LYS 39 -1.050 7.627 -5.457 300 HE2 LYS 39 2HE LYS 39 -0.382 10.020 -5.350 301 HE3 LYS 39 3HE LYS 39 -2.076 9.775 -5.779 302 HZ1 LYS 39 3HZ LYS 39 -1.132 10.467 -3.036 303 HZ2 LYS 39 1HZ LYS 39 -1.729 11.550 -4.105 304 HZ3 LYS 39 2HZ LYS 39 -2.700 10.374 -3.510 305 H LYS 40 H LYS 40 -4.214 7.890 -1.233 306 HA LYS 40 HA LYS 40 -6.961 8.095 -2.309 307 HB2 LYS 40 2HB LYS 40 -6.726 8.433 0.016 308 HB3 LYS 40 3HB LYS 40 -5.456 9.618 -0.182 309 HG2 LYS 40 2HG LYS 40 -8.218 10.088 -1.401 310 HG3 LYS 40 3HG LYS 40 -7.976 10.304 0.322 311 HD2 LYS 40 2HD LYS 40 -6.655 11.862 -1.913 312 HD3 LYS 40 3HD LYS 40 -7.809 12.446 -0.727 313 HE2 LYS 40 2HE LYS 40 -4.936 11.594 -0.176 314 HE3 LYS 40 3HE LYS 40 -5.511 13.248 -0.305 315 HZ1 LYS 40 3HZ LYS 40 -5.302 12.454 2.024 316 HZ2 LYS 40 1HZ LYS 40 -6.821 12.960 1.675 317 HZ3 LYS 40 2HZ LYS 40 -6.487 11.363 1.777 318 H MET 41 H MET 41 -7.231 8.968 -4.207 319 HA MET 41 HA MET 41 -6.203 11.594 -4.916 320 HB2 MET 41 2HB MET 41 -5.039 10.962 -6.974 321 HB3 MET 41 3HB MET 41 -4.222 10.322 -5.558 322 HG2 MET 41 2HG MET 41 -5.335 8.097 -5.984 323 HG3 MET 41 3HG MET 41 -5.997 8.773 -7.477 324 HE1 MET 41 3HE MET 41 -5.025 6.907 -8.940 325 HE2 MET 41 1HE MET 41 -3.354 6.308 -8.825 326 HE3 MET 41 2HE MET 41 -4.463 6.137 -7.438 327 H VAL 42 H VAL 42 -7.488 12.574 -6.598 328 HA VAL 42 HA VAL 42 -9.861 11.424 -7.476 329 HB VAL 42 HB VAL 42 -8.127 13.387 -9.025 330 HG11 VAL 42 1HG1 VAL 42 -11.096 12.716 -9.286 331 HG12 VAL 42 2HG1 VAL 42 -10.288 14.086 -10.077 332 HG13 VAL 42 3HG1 VAL 42 -9.835 12.439 -10.506 333 HG21 VAL 42 3HG2 VAL 42 -8.691 14.281 -6.805 334 HG22 VAL 42 1HG2 VAL 42 -9.601 15.124 -8.056 335 HG23 VAL 42 2HG2 VAL 42 -10.406 13.892 -7.066 336 H ASP 43 H ASP 43 -10.437 9.926 -8.969 337 HA ASP 43 HA ASP 43 -8.417 8.230 -10.102 338 HB2 ASP 43 2HB ASP 43 -10.772 7.590 -9.356 339 HB3 ASP 43 3HB ASP 43 -11.354 8.289 -10.856 340 HA PRO 44 HA PRO 44 -7.946 10.803 -13.743 341 HB2 PRO 44 2HB PRO 44 -5.937 9.443 -15.043 342 HB3 PRO 44 3HB PRO 44 -5.658 10.342 -13.519 343 HG2 PRO 44 2HG PRO 44 -6.224 7.367 -13.838 344 HG3 PRO 44 3HG PRO 44 -4.894 8.144 -12.913 345 HD2 PRO 44 2HD PRO 44 -7.192 7.325 -11.733 346 HD3 PRO 44 3HD PRO 44 -6.358 8.822 -11.209 347 H GLU 45 H GLU 45 -9.119 7.553 -13.795 348 HA GLU 45 HA GLU 45 -9.808 7.638 -16.702 349 HB2 GLU 45 2HB GLU 45 -10.147 5.433 -14.633 350 HB3 GLU 45 3HB GLU 45 -10.544 5.319 -16.342 351 HG2 GLU 45 2HG GLU 45 -8.227 5.516 -16.996 352 HG3 GLU 45 3HG GLU 45 -7.719 5.921 -15.357 353 H LYS 46 H LYS 46 -11.103 8.244 -13.549 354 HA LYS 46 HA LYS 46 -13.754 8.958 -14.683 355 HB2 LYS 46 2HB LYS 46 -13.285 7.064 -12.349 356 HB3 LYS 46 3HB LYS 46 -14.816 7.917 -12.613 357 HG2 LYS 46 2HG LYS 46 -15.021 6.865 -14.847 358 HG3 LYS 46 3HG LYS 46 -13.574 5.893 -14.517 359 HD2 LYS 46 2HD LYS 46 -16.011 5.936 -12.695 360 HD3 LYS 46 3HD LYS 46 -15.829 4.795 -14.047 361 HE2 LYS 46 2HE LYS 46 -13.702 3.963 -13.053 362 HE3 LYS 46 3HE LYS 46 -13.918 5.054 -11.681 363 HZ1 LYS 46 3HZ LYS 46 -14.742 2.828 -11.169 364 HZ2 LYS 46 1HZ LYS 46 -16.002 3.867 -11.168 365 HZ3 LYS 46 2HZ LYS 46 -15.774 2.854 -12.430 366 HA PRO 47 HA PRO 47 -11.711 11.953 -11.783 367 HB2 PRO 47 2HB PRO 47 -12.485 14.007 -13.818 368 HB3 PRO 47 3HB PRO 47 -10.930 13.785 -12.941 369 HG2 PRO 47 2HG PRO 47 -11.154 13.069 -15.549 370 HG3 PRO 47 3HG PRO 47 -10.240 12.056 -14.384 371 HD2 PRO 47 2HD PRO 47 -13.089 11.686 -15.353 372 HD3 PRO 47 3HD PRO 47 -11.767 10.493 -15.251 373 H GLN 48 H GLN 48 -14.866 11.846 -13.189 374 HA GLN 48 HA GLN 48 -16.216 13.857 -11.646 375 HB2 GLN 48 2HB GLN 48 -17.222 11.314 -12.990 376 HB3 GLN 48 3HB GLN 48 -18.260 12.568 -12.294 377 HG2 GLN 48 2HG GLN 48 -17.287 14.248 -13.849 378 HG3 GLN 48 3HG GLN 48 -16.304 12.988 -14.598 379 HE21 GLN 48 2HE2 GLN 48 -17.773 14.238 -16.397 380 HE22 GLN 48 1HE2 GLN 48 -19.211 13.317 -16.819 381 H LEU 49 H LEU 49 -15.066 10.660 -10.694 382 HA LEU 49 HA LEU 49 -16.736 10.205 -8.403 383 HB2 LEU 49 2HB LEU 49 -13.837 9.614 -9.143 384 HB3 LEU 49 3HB LEU 49 -14.466 9.139 -7.586 385 HG LEU 49 HG LEU 49 -15.770 8.198 -10.165 386 HD11 LEU 49 1HD1 LEU 49 -14.469 6.101 -9.730 387 HD12 LEU 49 2HD1 LEU 49 -13.436 7.498 -10.116 388 HD13 LEU 49 3HD1 LEU 49 -13.582 6.962 -8.444 389 HD21 LEU 49 3HD2 LEU 49 -15.822 7.246 -7.258 390 HD22 LEU 49 1HD2 LEU 49 -17.157 8.042 -8.111 391 HD23 LEU 49 2HD2 LEU 49 -16.629 6.430 -8.621 392 H GLY 50 H GLY 50 -14.102 12.502 -8.910 393 HA2 GLY 50 2HA GLY 50 -12.799 13.740 -7.430 394 HA3 GLY 50 3HA GLY 50 -13.903 13.348 -6.108 395 H MET 51 H MET 51 -12.171 12.791 -4.779 396 HA MET 51 HA MET 51 -10.035 11.092 -5.420 397 HB2 MET 51 2HB MET 51 -10.811 11.764 -2.591 398 HB3 MET 51 3HB MET 51 -9.214 11.539 -3.304 399 HG2 MET 51 2HG MET 51 -9.890 13.679 -4.733 400 HG3 MET 51 3HG MET 51 -11.084 13.909 -3.459 401 HE1 MET 51 3HE MET 51 -7.584 14.687 -4.687 402 HE2 MET 51 1HE MET 51 -6.533 14.330 -3.294 403 HE3 MET 51 2HE MET 51 -7.442 13.022 -4.103 404 H ILE 52 H ILE 52 -9.711 8.969 -5.206 405 HA ILE 52 HA ILE 52 -11.535 7.384 -3.495 406 HB ILE 52 HB ILE 52 -11.229 5.485 -5.195 407 HG12 ILE 52 2HG1 ILE 52 -11.165 6.180 -7.572 408 HG13 ILE 52 3HG1 ILE 52 -10.640 7.796 -7.102 409 HG21 ILE 52 1HG2 ILE 52 -13.183 6.119 -6.393 410 HG22 ILE 52 2HG2 ILE 52 -13.324 6.729 -4.736 411 HG23 ILE 52 3HG2 ILE 52 -12.906 7.851 -6.064 412 HD11 ILE 52 3HD1 ILE 52 -8.510 6.878 -6.296 413 HD12 ILE 52 1HD1 ILE 52 -9.108 5.218 -6.578 414 HD13 ILE 52 2HD1 ILE 52 -8.824 6.330 -7.936 415 H ASP 53 H ASP 53 -10.687 5.335 -2.811 416 HA ASP 53 HA ASP 53 -7.795 5.466 -2.142 417 HB2 ASP 53 2HB ASP 53 -10.052 3.727 -1.076 418 HB3 ASP 53 3HB ASP 53 -8.365 3.606 -0.586 419 H ARG 54 H ARG 54 -6.995 4.958 -4.193 420 HA ARG 54 HA ARG 54 -7.905 2.669 -5.756 421 HB2 ARG 54 2HB ARG 54 -6.783 4.969 -6.455 422 HB3 ARG 54 3HB ARG 54 -5.277 4.113 -6.203 423 HG2 ARG 54 2HG ARG 54 -5.446 2.956 -8.111 424 HG3 ARG 54 3HG ARG 54 -7.128 2.532 -7.845 425 HD2 ARG 54 2HD ARG 54 -7.972 4.292 -9.046 426 HD3 ARG 54 3HD ARG 54 -6.698 5.399 -8.574 427 HE ARG 54 HE ARG 54 -5.158 4.131 -10.134 428 HH11 ARG 54 1HH2 ARG 54 -8.599 4.490 -11.061 429 HH12 ARG 54 2HH2 ARG 54 -8.174 3.957 -12.683 430 HH21 ARG 54 1HH1 ARG 54 -4.903 3.624 -12.316 431 HH22 ARG 54 2HH1 ARG 54 -6.358 3.572 -13.313 432 H TRP 55 H TRP 55 -7.335 0.563 -5.394 433 HA TRP 55 HA TRP 55 -5.252 -0.005 -3.424 434 HB2 TRP 55 2HB TRP 55 -7.263 -1.813 -4.773 435 HB3 TRP 55 3HB TRP 55 -6.113 -2.321 -3.546 436 HD1 TRP 55 HD1 TRP 55 -9.453 -0.673 -3.926 437 HE1 TRP 55 HE1 TRP 55 -10.466 -0.144 -1.638 438 HE3 TRP 55 HE3 TRP 55 -5.366 -1.624 -0.971 439 HZ2 TRP 55 HZ2 TRP 55 -9.615 -0.077 1.115 440 HZ3 TRP 55 HZ3 TRP 55 -5.467 -1.183 1.470 441 HH2 TRP 55 HH2 TRP 55 -7.587 -0.449 2.529 442 H TYR 56 H TYR 56 -3.640 -1.496 -3.573 443 HA TYR 56 HA TYR 56 -2.539 -2.472 -6.132 444 HB2 TYR 56 2HB TYR 56 -1.080 -0.776 -4.057 445 HB3 TYR 56 3HB TYR 56 -0.351 -1.515 -5.476 446 HD1 TYR 56 HD2 TYR 56 -0.837 -0.661 -7.731 447 HD2 TYR 56 HD1 TYR 56 -2.424 1.284 -4.252 448 HE1 TYR 56 HE2 TYR 56 -1.441 1.327 -9.127 449 HE2 TYR 56 HE1 TYR 56 -3.049 3.254 -5.631 450 HH TYR 56 HH TYR 56 -3.042 4.191 -7.716 451 H HIS 57 H HIS 57 -1.019 -4.150 -5.849 452 HA HIS 57 HA HIS 57 -1.233 -5.945 -3.520 453 HB2 HIS 57 2HB HIS 57 0.591 -5.996 -5.935 454 HB3 HIS 57 3HB HIS 57 0.649 -7.190 -4.670 455 HD2 HIS 57 HD2 HIS 57 -1.869 -8.498 -4.188 456 HE1 HIS 57 HE1 HIS 57 -2.873 -8.408 -8.318 457 HE2 HIS 57 HE2 HIS 57 -3.382 -9.519 -6.113 458 HA PRO 58 HA PRO 58 2.457 -4.423 -1.308 459 HB2 PRO 58 2HB PRO 58 3.237 -7.318 -1.011 460 HB3 PRO 58 3HB PRO 58 3.121 -6.042 0.245 461 HG2 PRO 58 2HG PRO 58 1.157 -7.879 0.036 462 HG3 PRO 58 3HG PRO 58 0.732 -6.141 0.219 463 HD2 PRO 58 2HD PRO 58 0.873 -7.755 -2.345 464 HD3 PRO 58 3HD PRO 58 -0.456 -6.723 -1.739 465 H GLY 59 H GLY 59 2.946 -6.641 -3.992 466 HA2 GLY 59 2HA GLY 59 5.809 -5.969 -4.304 467 HA3 GLY 59 3HA GLY 59 4.806 -6.919 -5.406 468 H CYS 60 HN CYS 60 2.714 -5.183 -5.967 469 HA CYS 60 HA CYS 60 3.939 -3.674 -8.012 470 HB2 CYS 60 2HB CYS 60 1.042 -3.652 -7.099 471 HB3 CYS 60 3HB CYS 60 1.658 -3.222 -8.701 472 H PHE 61 H PHE 61 2.364 -2.580 -4.952 473 HA PHE 61 HA PHE 61 2.273 0.163 -5.692 474 HB2 PHE 61 2HB PHE 61 1.512 0.563 -3.639 475 HB3 PHE 61 3HB PHE 61 1.324 -1.181 -3.586 476 HD1 PHE 61 HD1 PHE 61 3.221 -2.560 -2.550 477 HD2 PHE 61 HD2 PHE 61 2.926 1.703 -2.128 478 HE1 PHE 61 HE1 PHE 61 4.672 -2.675 -0.527 479 HE2 PHE 61 HE2 PHE 61 4.379 1.605 -0.094 480 HZ PHE 61 HZ PHE 61 5.225 -0.589 0.719 481 H VAL 62 H VAL 62 4.952 -1.748 -4.354 482 HA VAL 62 HA VAL 62 6.912 0.303 -4.097 483 HB VAL 62 HB VAL 62 7.483 -2.523 -5.040 484 HG11 VAL 62 1HG1 VAL 62 9.136 -0.582 -3.372 485 HG12 VAL 62 2HG1 VAL 62 9.599 -2.230 -3.847 486 HG13 VAL 62 3HG1 VAL 62 9.425 -0.988 -5.078 487 HG21 VAL 62 3HG2 VAL 62 6.058 -2.702 -3.056 488 HG22 VAL 62 1HG2 VAL 62 7.705 -3.156 -2.670 489 HG23 VAL 62 2HG2 VAL 62 7.087 -1.561 -2.178 490 H LYS 63 H LYS 63 5.934 -1.567 -6.986 491 HA LYS 63 HA LYS 63 8.005 -0.647 -8.728 492 HB2 LYS 63 2HB LYS 63 6.691 -2.672 -9.129 493 HB3 LYS 63 3HB LYS 63 5.211 -1.726 -9.273 494 HG2 LYS 63 2HG LYS 63 6.035 -0.658 -11.333 495 HG3 LYS 63 3HG LYS 63 7.554 -1.549 -11.187 496 HD2 LYS 63 2HD LYS 63 6.070 -2.612 -12.821 497 HD3 LYS 63 3HD LYS 63 6.377 -3.676 -11.456 498 HE2 LYS 63 2HE LYS 63 4.064 -3.859 -12.123 499 HE3 LYS 63 3HE LYS 63 4.146 -3.165 -10.506 500 HZ1 LYS 63 3HZ LYS 63 3.613 -1.009 -11.412 501 HZ2 LYS 63 1HZ LYS 63 3.806 -1.525 -12.965 502 HZ3 LYS 63 2HZ LYS 63 2.555 -2.060 -12.064 503 H ASN 64 H ASN 64 4.882 0.793 -7.922 504 HA ASN 64 HA ASN 64 5.446 3.111 -9.726 505 HB2 ASN 64 2HB ASN 64 2.766 3.279 -8.885 506 HB3 ASN 64 3HB ASN 64 3.401 2.956 -10.476 507 HD21 ASN 64 1HD2 ASN 64 1.823 1.543 -7.674 508 HD22 ASN 64 2HD2 ASN 64 1.599 -0.024 -8.438 509 H ARG 65 H ARG 65 6.263 2.428 -6.697 510 HA ARG 65 HA ARG 65 4.983 4.150 -4.981 511 HB2 ARG 65 2HB ARG 65 6.876 3.966 -3.536 512 HB3 ARG 65 3HB ARG 65 6.765 2.465 -4.432 513 HG2 ARG 65 2HG ARG 65 8.518 3.456 -6.046 514 HG3 ARG 65 3HG ARG 65 8.714 4.767 -4.866 515 HD2 ARG 65 2HD ARG 65 9.397 3.215 -3.159 516 HD3 ARG 65 3HD ARG 65 9.091 1.823 -4.212 517 HE ARG 65 HE ARG 65 11.419 3.580 -4.204 518 HH11 ARG 65 1HH2 ARG 65 9.635 1.379 -6.310 519 HH12 ARG 65 2HH2 ARG 65 11.051 1.068 -7.281 520 HH21 ARG 65 1HH1 ARG 65 13.144 3.126 -5.510 521 HH22 ARG 65 2HH1 ARG 65 12.961 2.034 -6.850 522 H GLU 66 H GLU 66 7.606 5.052 -7.159 523 HA GLU 66 HA GLU 66 7.812 7.737 -6.145 524 HB2 GLU 66 2HB GLU 66 9.415 8.060 -7.988 525 HB3 GLU 66 3HB GLU 66 9.750 6.644 -6.981 526 HG2 GLU 66 2HG GLU 66 8.836 5.143 -8.684 527 HG3 GLU 66 3HG GLU 66 8.364 6.516 -9.693 528 H GLU 67 H GLU 67 5.852 6.240 -8.581 529 HA GLU 67 HA GLU 67 4.884 8.724 -9.787 530 HB2 GLU 67 2HB GLU 67 5.121 6.632 -11.081 531 HB3 GLU 67 3HB GLU 67 3.871 5.879 -10.082 532 HG2 GLU 67 2HG GLU 67 2.215 7.515 -10.847 533 HG3 GLU 67 3HG GLU 67 3.459 8.410 -11.726 534 H LEU 68 H LEU 68 3.762 6.290 -7.393 535 HA LEU 68 HA LEU 68 1.319 7.626 -6.642 536 HB2 LEU 68 2HB LEU 68 3.171 5.790 -5.063 537 HB3 LEU 68 3HB LEU 68 1.568 6.277 -4.537 538 HG LEU 68 HG LEU 68 2.125 4.660 -7.061 539 HD11 LEU 68 1HD1 LEU 68 1.103 3.789 -4.329 540 HD12 LEU 68 2HD1 LEU 68 1.176 2.764 -5.775 541 HD13 LEU 68 3HD1 LEU 68 2.673 3.369 -5.048 542 HD21 LEU 68 3HD2 LEU 68 -0.258 4.205 -7.066 543 HD22 LEU 68 1HD2 LEU 68 -0.498 5.234 -5.642 544 HD23 LEU 68 2HD2 LEU 68 0.011 5.939 -7.198 545 H GLY 69 H GLY 69 4.694 8.164 -5.724 546 HA2 GLY 69 2HA GLY 69 5.243 10.537 -5.406 547 HA3 GLY 69 3HA GLY 69 3.820 10.718 -4.387 548 H PHE 70 H PHE 70 5.552 7.779 -3.776 549 HA PHE 70 HA PHE 70 6.535 8.552 -1.179 550 HB2 PHE 70 2HB PHE 70 7.180 6.255 -3.060 551 HB3 PHE 70 3HB PHE 70 8.033 6.486 -1.557 552 HD1 PHE 70 HD1 PHE 70 6.981 6.261 0.619 553 HD2 PHE 70 HD2 PHE 70 4.802 5.444 -3.007 554 HE1 PHE 70 HE1 PHE 70 5.289 5.010 1.915 555 HE2 PHE 70 HE2 PHE 70 3.133 4.141 -1.711 556 HZ PHE 70 HZ PHE 70 3.395 3.897 0.751 557 H ARG 71 H ARG 71 8.395 9.316 -0.539 558 HA ARG 71 HA ARG 71 10.843 9.332 -2.145 559 HB2 ARG 71 2HB ARG 71 9.810 11.853 -0.752 560 HB3 ARG 71 3HB ARG 71 11.383 11.682 -1.508 561 HG2 ARG 71 2HG ARG 71 8.716 11.622 -2.989 562 HG3 ARG 71 3HG ARG 71 9.800 12.999 -2.859 563 HD2 ARG 71 2HD ARG 71 11.577 11.755 -4.034 564 HD3 ARG 71 3HD ARG 71 10.526 10.359 -4.211 565 HE ARG 71 HE ARG 71 10.407 12.913 -5.675 566 HH11 ARG 71 1HH2 ARG 71 8.620 9.937 -5.076 567 HH12 ARG 71 2HH2 ARG 71 7.702 10.126 -6.571 568 HH21 ARG 71 1HH1 ARG 71 9.161 13.056 -7.507 569 HH22 ARG 71 2HH1 ARG 71 7.985 11.820 -7.851 570 HA PRO 72 HA PRO 72 12.433 7.672 1.461 571 HB2 PRO 72 2HB PRO 72 14.582 9.792 1.645 572 HB3 PRO 72 3HB PRO 72 14.739 8.014 1.795 573 HG2 PRO 72 2HG PRO 72 15.360 9.206 -0.552 574 HG3 PRO 72 3HG PRO 72 14.365 7.713 -0.564 575 HD2 PRO 72 2HD PRO 72 13.449 10.587 -0.823 576 HD3 PRO 72 3HD PRO 72 12.944 9.148 -1.759 577 H GLU 73 H GLU 73 12.197 11.214 1.891 578 HA GLU 73 HA GLU 73 12.238 11.272 4.733 579 HB2 GLU 73 2HB GLU 73 11.387 13.520 4.515 580 HB3 GLU 73 3HB GLU 73 12.615 13.215 3.290 581 HG2 GLU 73 2HG GLU 73 10.779 12.822 1.605 582 HG3 GLU 73 3HG GLU 73 9.597 13.240 2.845 583 H TYR 74 H TYR 74 9.724 10.091 2.701 584 HA TYR 74 HA TYR 74 8.149 9.474 5.075 585 HB2 TYR 74 2HB TYR 74 5.988 10.120 3.812 586 HB3 TYR 74 3HB TYR 74 6.896 11.293 4.721 587 HD1 TYR 74 HD1 TYR 74 7.388 10.078 1.175 588 HD2 TYR 74 HD2 TYR 74 6.512 13.372 3.812 589 HE1 TYR 74 HE1 TYR 74 7.307 11.625 -0.778 590 HE2 TYR 74 HE2 TYR 74 6.478 14.922 1.864 591 HH TYR 74 HH TYR 74 6.993 13.774 -1.492 592 H SER 75 H SER 75 9.487 7.643 4.391 593 HA SER 75 HA SER 75 8.845 5.888 2.245 594 HB2 SER 75 2HB SER 75 10.086 5.457 4.991 595 HB3 SER 75 3HB SER 75 10.068 4.251 3.694 596 HG SER 75 HG SER 75 11.236 6.856 3.552 597 H ALA 76 H ALA 76 8.225 3.503 2.966 598 HA ALA 76 HA ALA 76 5.484 3.281 3.172 599 HB1 ALA 76 1HB ALA 76 7.551 1.244 4.059 600 HB2 ALA 76 2HB ALA 76 5.873 0.924 3.565 601 HB3 ALA 76 3HB ALA 76 7.030 1.535 2.378 602 H SER 77 H SER 77 7.514 3.811 5.979 603 HA SER 77 HA SER 77 5.764 2.793 8.001 604 HB2 SER 77 2HB SER 77 7.030 4.319 9.475 605 HB3 SER 77 3HB SER 77 8.118 3.434 8.387 606 HG SER 77 HG SER 77 8.746 5.547 8.314 607 H GLN 78 H GLN 78 5.531 5.585 5.914 608 HA GLN 78 HA GLN 78 3.654 6.989 7.605 609 HB2 GLN 78 2HB GLN 78 4.784 7.772 4.908 610 HB3 GLN 78 3HB GLN 78 3.883 8.802 6.015 611 HG2 GLN 78 2HG GLN 78 6.667 7.673 6.452 612 HG3 GLN 78 3HG GLN 78 6.201 9.352 6.213 613 HE21 GLN 78 2HE2 GLN 78 6.852 6.985 8.589 614 HE22 GLN 78 1HE2 GLN 78 6.223 7.908 9.957 615 H LEU 79 H LEU 79 2.892 4.393 6.196 616 HA LEU 79 HA LEU 79 0.482 5.233 4.669 617 HB2 LEU 79 2HB LEU 79 1.690 2.556 5.466 618 HB3 LEU 79 3HB LEU 79 0.122 2.699 4.689 619 HG LEU 79 HG LEU 79 2.568 3.847 3.320 620 HD11 LEU 79 1HD1 LEU 79 3.159 1.485 3.867 621 HD12 LEU 79 2HD1 LEU 79 1.684 0.951 3.059 622 HD13 LEU 79 3HD1 LEU 79 2.950 1.770 2.133 623 HD21 LEU 79 3HD2 LEU 79 0.107 2.484 2.184 624 HD22 LEU 79 1HD2 LEU 79 0.190 4.211 2.538 625 HD23 LEU 79 2HD2 LEU 79 1.275 3.510 1.336 626 H LYS 80 H LYS 80 -1.542 5.313 5.489 627 HA LYS 80 HA LYS 80 -2.122 5.316 8.257 628 HB2 LYS 80 2HB LYS 80 -4.100 4.617 6.042 629 HB3 LYS 80 3HB LYS 80 -4.496 5.101 7.689 630 HG2 LYS 80 2HG LYS 80 -3.289 7.269 7.261 631 HG3 LYS 80 3HG LYS 80 -3.180 6.798 5.552 632 HD2 LYS 80 2HD LYS 80 -5.741 7.193 7.176 633 HD3 LYS 80 3HD LYS 80 -5.054 8.363 6.043 634 HE2 LYS 80 2HE LYS 80 -5.350 6.759 4.179 635 HE3 LYS 80 3HE LYS 80 -6.034 5.571 5.302 636 HZ1 LYS 80 3HZ LYS 80 -7.856 7.115 5.742 637 HZ2 LYS 80 1HZ LYS 80 -7.226 8.235 4.733 638 HZ3 LYS 80 2HZ LYS 80 -7.772 6.815 4.140 639 H GLY 81 H GLY 81 -2.608 3.799 9.738 640 HA2 GLY 81 2HA GLY 81 -3.122 1.764 10.708 641 HA3 GLY 81 3HA GLY 81 -3.672 1.190 9.133 642 H PHE 82 H PHE 82 -0.417 2.147 8.782 643 HA PHE 82 HA PHE 82 0.617 -0.399 8.233 644 HB2 PHE 82 2HB PHE 82 1.714 1.514 7.404 645 HB3 PHE 82 3HB PHE 82 1.791 2.288 8.977 646 HD1 PHE 82 HD1 PHE 82 3.438 1.692 10.644 647 HD2 PHE 82 HD2 PHE 82 3.534 -0.013 6.687 648 HE1 PHE 82 HE1 PHE 82 5.808 0.994 10.999 649 HE2 PHE 82 HE2 PHE 82 5.895 -0.674 7.034 650 HZ PHE 82 HZ PHE 82 7.028 -0.191 9.186 651 H SER 83 H SER 83 0.759 1.472 11.287 652 HA SER 83 HA SER 83 2.396 -0.167 12.821 653 HB2 SER 83 2HB SER 83 -0.059 1.402 13.707 654 HB3 SER 83 3HB SER 83 1.300 0.928 14.748 655 HG SER 83 HG SER 83 1.276 3.128 13.870 656 H LEU 84 H LEU 84 -0.932 -0.832 11.896 657 HA LEU 84 HA LEU 84 -1.394 -2.758 14.086 658 HB2 LEU 84 2HB LEU 84 -3.124 -1.624 11.854 659 HB3 LEU 84 3HB LEU 84 -3.650 -2.952 12.854 660 HG LEU 84 HG LEU 84 -4.650 -0.914 13.588 661 HD11 LEU 84 1HD1 LEU 84 -2.626 -1.806 15.677 662 HD12 LEU 84 2HD1 LEU 84 -4.194 -1.027 15.957 663 HD13 LEU 84 3HD1 LEU 84 -4.133 -2.660 15.273 664 HD21 LEU 84 3HD2 LEU 84 -2.825 0.680 12.943 665 HD22 LEU 84 1HD2 LEU 84 -3.517 0.950 14.552 666 HD23 LEU 84 2HD2 LEU 84 -1.937 0.168 14.402 667 H LEU 85 H LEU 85 -0.007 -2.935 10.974 668 HA LEU 85 HA LEU 85 -0.826 -5.676 10.326 669 HB2 LEU 85 2HB LEU 85 1.327 -3.781 9.346 670 HB3 LEU 85 3HB LEU 85 1.363 -5.474 8.908 671 HG LEU 85 HG LEU 85 -0.788 -5.337 7.795 672 HD11 LEU 85 1HD1 LEU 85 -0.764 -2.386 8.531 673 HD12 LEU 85 2HD1 LEU 85 -1.833 -3.121 7.321 674 HD13 LEU 85 3HD1 LEU 85 -1.978 -3.591 9.017 675 HD21 LEU 85 3HD2 LEU 85 1.107 -3.097 6.965 676 HD22 LEU 85 1HD2 LEU 85 1.294 -4.816 6.562 677 HD23 LEU 85 2HD2 LEU 85 -0.083 -3.906 5.923 678 H ALA 86 H ALA 86 0.791 -7.481 10.266 679 HA ALA 86 HA ALA 86 2.079 -7.983 12.768 680 HB1 ALA 86 1HB ALA 86 2.378 -9.302 10.034 681 HB2 ALA 86 2HB ALA 86 2.996 -9.966 11.565 682 HB3 ALA 86 3HB ALA 86 1.251 -9.777 11.322 683 H THR 87 H THR 87 4.277 -8.031 13.338 684 HA THR 87 HA THR 87 5.898 -5.900 12.582 685 HB THR 87 HB THR 87 6.904 -8.553 13.653 686 HG1 THR 87 1HG THR 87 6.373 -7.711 15.678 687 HG21 THR 87 1HG2 THR 87 7.846 -5.678 14.097 688 HG22 THR 87 2HG2 THR 87 8.496 -7.113 14.924 689 HG23 THR 87 3HG2 THR 87 8.711 -6.930 13.179 690 H GLU 88 H GLU 88 6.005 -9.246 11.287 691 HA GLU 88 HA GLU 88 8.338 -8.856 9.672 692 HB2 GLU 88 2HB GLU 88 7.722 -10.915 8.577 693 HB3 GLU 88 3HB GLU 88 7.528 -11.056 10.322 694 HG2 GLU 88 2HG GLU 88 5.048 -10.692 10.032 695 HG3 GLU 88 3HG GLU 88 5.290 -10.682 8.283 696 H ASP 89 H ASP 89 4.930 -8.040 9.029 697 HA ASP 89 HA ASP 89 5.479 -7.400 6.200 698 HB2 ASP 89 2HB ASP 89 3.051 -6.989 7.975 699 HB3 ASP 89 3HB ASP 89 3.161 -6.432 6.307 700 H LYS 90 H LYS 90 5.061 -5.609 9.275 701 HA LYS 90 HA LYS 90 5.351 -2.958 8.223 702 HB2 LYS 90 2HB LYS 90 6.006 -4.184 10.933 703 HB3 LYS 90 3HB LYS 90 6.157 -2.449 10.605 704 HG2 LYS 90 2HG LYS 90 3.872 -2.164 10.194 705 HG3 LYS 90 3HG LYS 90 3.568 -3.891 10.002 706 HD2 LYS 90 2HD LYS 90 2.650 -3.132 12.087 707 HD3 LYS 90 3HD LYS 90 3.948 -4.299 12.369 708 HE2 LYS 90 2HE LYS 90 5.486 -2.448 12.954 709 HE3 LYS 90 3HE LYS 90 4.205 -1.275 12.609 710 HZ1 LYS 90 3HZ LYS 90 2.877 -2.332 14.396 711 HZ2 LYS 90 1HZ LYS 90 4.098 -3.365 14.727 712 HZ3 LYS 90 2HZ LYS 90 4.301 -1.768 14.991 713 H GLU 91 H GLU 91 7.852 -5.292 9.265 714 HA GLU 91 HA GLU 91 10.081 -3.582 8.529 715 HB2 GLU 91 2HB GLU 91 9.832 -6.595 8.856 716 HB3 GLU 91 3HB GLU 91 11.349 -5.774 8.497 717 HG2 GLU 91 2HG GLU 91 9.650 -5.226 10.969 718 HG3 GLU 91 3HG GLU 91 11.022 -6.324 10.917 719 H ALA 92 H ALA 92 8.377 -6.214 6.705 720 HA ALA 92 HA ALA 92 10.087 -6.099 4.456 721 HB1 ALA 92 1HB ALA 92 8.311 -7.369 3.323 722 HB2 ALA 92 2HB ALA 92 8.627 -7.985 4.954 723 HB3 ALA 92 3HB ALA 92 7.187 -6.981 4.644 724 H LEU 93 H LEU 93 7.170 -4.144 5.113 725 HA LEU 93 HA LEU 93 6.967 -3.005 2.470 726 HB2 LEU 93 2HB LEU 93 6.012 -2.116 5.213 727 HB3 LEU 93 3HB LEU 93 5.613 -1.247 3.735 728 HG LEU 93 HG LEU 93 4.873 -4.170 4.161 729 HD11 LEU 93 1HD1 LEU 93 3.776 -2.737 5.841 730 HD12 LEU 93 2HD1 LEU 93 3.206 -1.647 4.554 731 HD13 LEU 93 3HD1 LEU 93 2.612 -3.321 4.643 732 HD21 LEU 93 3HD2 LEU 93 3.885 -2.100 2.169 733 HD22 LEU 93 1HD2 LEU 93 4.948 -3.481 1.801 734 HD23 LEU 93 2HD2 LEU 93 3.290 -3.764 2.341 735 H LYS 94 H LYS 94 8.703 -1.866 5.418 736 HA LYS 94 HA LYS 94 9.895 0.447 4.180 737 HB2 LYS 94 2HB LYS 94 10.716 -1.243 6.573 738 HB3 LYS 94 3HB LYS 94 11.455 0.295 6.123 739 HG2 LYS 94 2HG LYS 94 9.308 1.470 6.467 740 HG3 LYS 94 3HG LYS 94 8.529 -0.045 6.931 741 HD2 LYS 94 2HD LYS 94 10.854 1.288 8.394 742 HD3 LYS 94 3HD LYS 94 9.158 1.297 8.907 743 HE2 LYS 94 2HE LYS 94 9.193 -1.179 9.103 744 HE3 LYS 94 3HE LYS 94 10.879 -1.204 8.586 745 HZ1 LYS 94 3HZ LYS 94 11.439 0.085 10.580 746 HZ2 LYS 94 1HZ LYS 94 9.881 0.019 11.094 747 HZ3 LYS 94 2HZ LYS 94 10.763 -1.362 10.932 748 H LYS 95 H LYS 95 10.978 -2.984 4.641 749 HA LYS 95 HA LYS 95 13.619 -2.538 3.697 750 HB2 LYS 95 2HB LYS 95 11.877 -5.015 3.771 751 HB3 LYS 95 3HB LYS 95 13.520 -5.065 3.129 752 HG2 LYS 95 2HG LYS 95 14.489 -4.343 5.211 753 HG3 LYS 95 3HG LYS 95 12.917 -3.970 5.904 754 HD2 LYS 95 2HD LYS 95 13.715 -6.039 6.846 755 HD3 LYS 95 3HD LYS 95 12.301 -6.380 5.839 756 HE2 LYS 95 2HE LYS 95 13.786 -7.134 3.997 757 HE3 LYS 95 3HE LYS 95 15.209 -6.726 4.965 758 HZ1 LYS 95 3HZ LYS 95 14.692 -9.093 5.104 759 HZ2 LYS 95 1HZ LYS 95 14.516 -8.417 6.577 760 HZ3 LYS 95 2HZ LYS 95 13.198 -8.796 5.685 761 H GLN 96 H GLN 96 10.732 -2.868 1.811 762 HA GLN 96 HA GLN 96 12.151 -3.169 -0.755 763 HB2 GLN 96 2HB GLN 96 9.231 -2.878 0.028 764 HB3 GLN 96 3HB GLN 96 9.792 -2.971 -1.647 765 HG2 GLN 96 2HG GLN 96 10.735 -5.173 -1.327 766 HG3 GLN 96 3HG GLN 96 10.438 -5.123 0.411 767 HE21 GLN 96 2HE2 GLN 96 8.162 -5.033 1.149 768 HE22 GLN 96 1HE2 GLN 96 6.921 -5.780 0.126 769 H LEU 97 H LEU 97 10.943 -0.476 1.182 770 HA LEU 97 HA LEU 97 12.306 1.335 -0.648 771 HB2 LEU 97 2HB LEU 97 10.473 2.939 -0.860 772 HB3 LEU 97 3HB LEU 97 10.212 1.457 -1.749 773 HG LEU 97 HG LEU 97 8.974 1.500 0.982 774 HD11 LEU 97 1HD1 LEU 97 7.893 3.243 -1.272 775 HD12 LEU 97 2HD1 LEU 97 7.067 2.868 0.251 776 HD13 LEU 97 3HD1 LEU 97 8.558 3.824 0.271 777 HD21 LEU 97 3HD2 LEU 97 8.608 -0.346 -0.644 778 HD22 LEU 97 1HD2 LEU 97 7.119 0.482 -0.190 779 HD23 LEU 97 2HD2 LEU 97 7.858 0.817 -1.766 780 HA PRO 98 HA PRO 98 12.481 2.240 3.855 781 HB2 PRO 98 2HB PRO 98 15.139 1.807 4.392 782 HB3 PRO 98 3HB PRO 98 13.921 0.514 4.294 783 HG2 PRO 98 2HG PRO 98 15.970 1.319 2.246 784 HG3 PRO 98 3HG PRO 98 15.341 -0.315 2.640 785 HD2 PRO 98 2HD PRO 98 14.518 1.290 0.480 786 HD3 PRO 98 3HD PRO 98 13.627 -0.098 1.159 787 H GLY 99 H GLY 99 13.110 4.335 4.841 788 HA2 GLY 99 2HA GLY 99 15.326 5.910 3.654 789 HA3 GLY 99 3HA GLY 99 13.702 6.547 3.467 790 H VAL 100 H VAL 100 13.464 8.171 4.778 791 HA VAL 100 HA VAL 100 13.892 9.757 6.300 792 HB VAL 100 HB VAL 100 13.274 7.584 8.253 793 HG11 VAL 100 1HG1 VAL 100 12.496 10.553 8.117 794 HG12 VAL 100 2HG1 VAL 100 11.990 9.422 9.392 795 HG13 VAL 100 3HG1 VAL 100 13.686 9.876 9.237 796 HG21 VAL 100 3HG2 VAL 100 11.371 9.067 6.395 797 HG22 VAL 100 1HG2 VAL 100 11.661 7.316 6.441 798 HG23 VAL 100 2HG2 VAL 100 10.850 8.101 7.795 799 H LYS 101 H LYS 101 16.168 9.085 5.422 800 HA LYS 101 HA LYS 101 18.209 8.736 7.503 801 HB2 LYS 101 2HB LYS 101 18.312 9.370 4.535 802 HB3 LYS 101 3HB LYS 101 19.764 9.397 5.547 803 HG2 LYS 101 2HG LYS 101 19.438 7.105 6.247 804 HG3 LYS 101 3HG LYS 101 17.914 6.991 5.337 805 HD2 LYS 101 2HD LYS 101 19.151 7.392 3.217 806 HD3 LYS 101 3HD LYS 101 20.676 7.481 4.127 807 HE2 LYS 101 2HE LYS 101 20.330 5.159 4.934 808 HE3 LYS 101 3HE LYS 101 18.799 5.072 4.053 809 HZ1 LYS 101 3HZ LYS 101 21.465 5.444 2.790 810 HZ2 LYS 101 1HZ LYS 101 20.608 4.056 2.790 811 HZ3 LYS 101 2HZ LYS 101 20.049 5.356 1.980 812 H SER 102 H SER 102 16.192 11.144 7.388 813 HA SER 102 HA SER 102 17.566 13.570 7.370 814 HB2 SER 102 2HB SER 102 15.353 12.781 9.295 815 HB3 SER 102 3HB SER 102 15.743 14.408 8.702 816 HG SER 102 HG SER 102 13.994 13.531 7.542 817 H GLU 103 H GLU 103 17.709 11.045 9.807 818 HA GLU 103 HA GLU 103 18.907 12.570 11.949 819 HB2 GLU 103 2HB GLU 103 17.691 10.413 12.157 820 HB3 GLU 103 3HB GLU 103 18.998 9.593 11.294 821 HG2 GLU 103 2HG GLU 103 20.553 10.036 13.105 822 HG3 GLU 103 3HG GLU 103 19.415 11.146 13.883 823 H GLY 104 H GLY 104 20.213 11.115 9.026 824 HA2 GLY 104 2HA GLY 104 22.211 11.243 7.999 825 HA3 GLY 104 3HA GLY 104 22.484 12.686 8.980 826 H LYS 105 H LYS 105 22.293 9.507 10.534 827 HA LYS 105 HA LYS 105 24.926 9.911 11.705 828 HB2 LYS 105 2HB LYS 105 24.427 7.992 13.072 829 HB3 LYS 105 3HB LYS 105 23.052 9.091 13.040 830 HG2 LYS 105 2HG LYS 105 21.872 7.620 11.445 831 HG3 LYS 105 3HG LYS 105 23.271 6.530 11.381 832 HD2 LYS 105 2HD LYS 105 23.057 6.093 13.807 833 HD3 LYS 105 3HD LYS 105 21.655 7.160 13.896 834 HE2 LYS 105 2HE LYS 105 21.837 4.600 12.232 835 HE3 LYS 105 3HE LYS 105 21.090 4.734 13.826 836 HZ1 LYS 105 3HZ LYS 105 19.566 6.427 12.848 837 HZ2 LYS 105 1HZ LYS 105 20.151 6.082 11.360 838 HZ3 LYS 105 2HZ LYS 105 19.368 4.927 12.210 839 H ARG 106 H ARG 106 24.046 8.564 8.813 840 HA ARG 106 HA ARG 106 25.893 6.397 8.580 841 HB2 ARG 106 2HB ARG 106 23.959 6.554 7.141 842 HB3 ARG 106 3HB ARG 106 24.435 8.147 6.562 843 HG2 ARG 106 2HG ARG 106 24.777 6.449 4.853 844 HG3 ARG 106 3HG ARG 106 26.287 7.220 5.300 845 HD2 ARG 106 2HD ARG 106 26.755 5.177 6.799 846 HD3 ARG 106 3HD ARG 106 25.310 4.448 6.107 847 HE ARG 106 HE ARG 106 26.472 4.018 4.142 848 HH11 ARG 106 1HH2 ARG 106 28.433 6.310 5.977 849 HH12 ARG 106 2HH2 ARG 106 29.734 6.234 4.801 850 HH21 ARG 106 1HH1 ARG 106 28.244 3.959 2.753 851 HH22 ARG 106 2HH1 ARG 106 29.645 4.931 3.126 852 H LYS 107 H LYS 107 26.367 9.841 8.359 853 HA LYS 107 HA LYS 107 29.129 9.496 7.223 854 HB2 LYS 107 2HB LYS 107 27.170 11.775 6.725 855 HB3 LYS 107 3HB LYS 107 28.819 11.656 6.102 856 HG2 LYS 107 2HG LYS 107 28.145 9.502 4.925 857 HG3 LYS 107 3HG LYS 107 26.488 9.811 5.437 858 HD2 LYS 107 2HD LYS 107 26.703 10.565 3.175 859 HD3 LYS 107 3HD LYS 107 26.486 11.962 4.222 860 HE2 LYS 107 2HE LYS 107 28.124 12.516 2.565 861 HE3 LYS 107 3HE LYS 107 28.950 12.410 4.117 862 HZ1 LYS 107 3HZ LYS 107 29.813 10.238 3.471 863 HZ2 LYS 107 1HZ LYS 107 28.923 10.236 2.091 864 HZ3 LYS 107 2HZ LYS 107 30.135 11.314 2.266 865 H GLY 108 H GLY 108 30.430 11.590 7.571 866 HA2 GLY 108 2HA GLY 108 31.137 13.334 9.037 867 HA3 GLY 108 3HA GLY 108 30.177 12.656 10.348 868 H ASP 109 H ASP 109 31.783 10.089 8.938 869 HA ASP 109 HA ASP 109 34.360 10.441 10.363 870 HB2 ASP 109 2HB ASP 109 32.757 9.230 11.858 871 HB3 ASP 109 3HB ASP 109 32.598 7.975 10.630 872 H GLU 110 H GLU 110 34.041 10.895 7.739 873 HA GLU 110 HA GLU 110 35.343 8.600 6.343 874 HB2 GLU 110 2HB GLU 110 33.078 10.312 5.237 875 HB3 GLU 110 3HB GLU 110 33.955 9.056 4.361 876 HG2 GLU 110 2HG GLU 110 33.098 7.357 5.979 877 HG3 GLU 110 3HG GLU 110 32.124 8.616 6.756 878 H VAL 111 H VAL 111 36.551 9.190 4.439 879 HA VAL 111 HA VAL 111 37.637 11.929 4.377 880 HB VAL 111 HB VAL 111 39.083 11.121 2.566 881 HG11 VAL 111 1HG1 VAL 111 40.458 9.626 3.902 882 HG12 VAL 111 2HG1 VAL 111 39.782 10.905 4.924 883 HG13 VAL 111 3HG1 VAL 111 39.096 9.266 4.981 884 HG21 VAL 111 3HG2 VAL 111 37.802 8.382 2.989 885 HG22 VAL 111 1HG2 VAL 111 37.581 9.412 1.555 886 HG23 VAL 111 2HG2 VAL 111 39.180 8.768 1.946 887 H ASP 112 H ASP 112 34.957 10.524 3.166 888 HA ASP 112 HA ASP 112 33.420 10.874 1.543 889 HB2 ASP 112 2HB ASP 112 33.177 12.699 3.196 890 HB3 ASP 112 3HB ASP 112 34.085 13.769 2.136 Start of MODEL 29 1 H1 GLY 1 H1 GLY 1 -11.446 14.931 19.529 2 H2 GLY 1 H2 GLY 1 -9.839 15.016 19.216 3 H3 GLY 1 H3 GLY 1 -10.371 14.970 20.764 4 HA2 GLY 1 2HA GLY 1 -11.210 12.735 20.485 5 HA3 GLY 1 3HA GLY 1 -10.658 12.787 18.800 6 H SER 2 H SER 2 -9.898 11.041 21.154 7 HA SER 2 HA SER 2 -7.213 11.777 21.935 8 HB2 SER 2 2HB SER 2 -8.680 9.144 22.300 9 HB3 SER 2 3HB SER 2 -7.245 9.693 23.186 10 HG SER 2 HG SER 2 -9.183 10.074 24.361 11 H LYS 3 H LYS 3 -8.332 10.082 19.154 12 HA LYS 3 HA LYS 3 -6.024 8.317 18.821 13 HB2 LYS 3 2HB LYS 3 -8.264 9.095 16.908 14 HB3 LYS 3 3HB LYS 3 -7.022 7.882 16.576 15 HG2 LYS 3 2HG LYS 3 -7.765 6.567 18.550 16 HG3 LYS 3 3HG LYS 3 -9.055 7.749 18.848 17 HD2 LYS 3 2HD LYS 3 -9.979 7.292 16.580 18 HD3 LYS 3 3HD LYS 3 -8.747 6.054 16.322 19 HE2 LYS 3 2HE LYS 3 -10.826 6.033 18.564 20 HE3 LYS 3 3HE LYS 3 -11.007 5.188 17.025 21 HZ1 LYS 3 3HZ LYS 3 -8.875 4.635 19.019 22 HZ2 LYS 3 1HZ LYS 3 -10.168 3.691 18.717 23 HZ3 LYS 3 2HZ LYS 3 -9.023 3.881 17.573 24 H ALA 4 H ALA 4 -4.419 8.410 17.285 25 HA ALA 4 HA ALA 4 -3.942 10.840 15.695 26 HB1 ALA 4 1HB ALA 4 -1.997 9.879 17.847 27 HB2 ALA 4 2HB ALA 4 -1.692 11.176 16.671 28 HB3 ALA 4 3HB ALA 4 -2.950 11.381 17.903 29 H GLU 5 H GLU 5 -2.079 10.567 14.219 30 HA GLU 5 HA GLU 5 -1.164 7.805 13.715 31 HB2 GLU 5 2HB GLU 5 -3.118 9.269 12.031 32 HB3 GLU 5 3HB GLU 5 -1.721 8.729 11.122 33 HG2 GLU 5 2HG GLU 5 -3.372 6.886 12.895 34 HG3 GLU 5 3HG GLU 5 -3.668 7.148 11.180 35 H LYS 6 H LYS 6 0.534 7.622 12.195 36 HA LYS 6 HA LYS 6 2.403 9.953 12.240 37 HB2 LYS 6 2HB LYS 6 3.000 7.813 13.407 38 HB3 LYS 6 3HB LYS 6 2.982 6.986 11.856 39 HG2 LYS 6 2HG LYS 6 5.245 7.511 12.676 40 HG3 LYS 6 3HG LYS 6 4.932 8.237 11.106 41 HD2 LYS 6 2HD LYS 6 4.573 10.442 12.165 42 HD3 LYS 6 3HD LYS 6 4.769 9.711 13.775 43 HE2 LYS 6 2HE LYS 6 7.090 9.051 13.173 44 HE3 LYS 6 3HE LYS 6 6.878 9.763 11.566 45 HZ1 LYS 6 3HZ LYS 6 6.760 11.275 14.126 46 HZ2 LYS 6 1HZ LYS 6 8.006 11.301 13.073 47 HZ3 LYS 6 2HZ LYS 6 6.566 11.931 12.642 48 H THR 7 H THR 7 0.312 8.533 10.082 49 HA THR 7 HA THR 7 1.624 8.264 7.672 50 HB THR 7 HB THR 7 -1.122 9.515 7.907 51 HG1 THR 7 1HG THR 7 -1.932 7.616 8.481 52 HG21 THR 7 1HG2 THR 7 -1.660 8.423 5.911 53 HG22 THR 7 2HG2 THR 7 0.006 8.826 5.588 54 HG23 THR 7 3HG2 THR 7 -0.363 7.214 6.102 55 H LEU 8 H LEU 8 2.094 9.579 5.859 56 HA LEU 8 HA LEU 8 2.277 12.459 6.231 57 HB2 LEU 8 2HB LEU 8 3.371 12.575 4.279 58 HB3 LEU 8 3HB LEU 8 3.705 10.909 4.711 59 HG LEU 8 HG LEU 8 1.657 11.902 2.670 60 HD11 LEU 8 1HD1 LEU 8 4.239 10.349 2.287 61 HD12 LEU 8 2HD1 LEU 8 3.125 10.892 1.018 62 HD13 LEU 8 3HD1 LEU 8 4.024 12.085 1.967 63 HD21 LEU 8 3HD2 LEU 8 2.395 9.069 3.483 64 HD22 LEU 8 1HD2 LEU 8 0.802 9.811 3.630 65 HD23 LEU 8 2HD2 LEU 8 1.455 9.498 2.030 66 H GLY 9 H GLY 9 -0.397 10.519 5.407 67 HA2 GLY 9 2HA GLY 9 -2.560 11.442 5.648 68 HA3 GLY 9 3HA GLY 9 -2.036 12.938 4.903 69 H ASP 10 H ASP 10 -1.069 10.233 2.869 70 HA ASP 10 HA ASP 10 -3.629 10.259 1.437 71 HB2 ASP 10 2HB ASP 10 -2.748 11.195 -0.610 72 HB3 ASP 10 3HB ASP 10 -2.618 12.335 0.710 73 H PHE 11 H PHE 11 -1.343 8.235 2.498 74 HA PHE 11 HA PHE 11 -2.491 6.306 0.671 75 HB2 PHE 11 2HB PHE 11 -0.270 5.099 0.314 76 HB3 PHE 11 3HB PHE 11 -0.725 6.431 -0.685 77 HD1 PHE 11 HD2 PHE 11 1.242 6.189 2.588 78 HD2 PHE 11 HD1 PHE 11 1.022 7.640 -1.471 79 HE1 PHE 11 HE2 PHE 11 3.573 6.987 2.739 80 HE2 PHE 11 HE1 PHE 11 3.318 8.536 -1.268 81 HZ PHE 11 HZ PHE 11 4.609 8.187 0.829 82 H ALA 12 H ALA 12 -2.440 4.122 1.371 83 HA ALA 12 HA ALA 12 -2.396 3.861 4.346 84 HB1 ALA 12 1HB ALA 12 -4.690 3.181 2.469 85 HB2 ALA 12 2HB ALA 12 -4.683 3.015 4.235 86 HB3 ALA 12 3HB ALA 12 -4.613 4.628 3.488 87 H ALA 13 H ALA 13 -2.504 1.705 5.189 88 HA ALA 13 HA ALA 13 -1.977 -0.555 3.339 89 HB1 ALA 13 1HB ALA 13 -0.406 0.141 5.864 90 HB2 ALA 13 2HB ALA 13 -0.098 -1.209 4.732 91 HB3 ALA 13 3HB ALA 13 0.136 0.467 4.206 92 H GLU 14 H GLU 14 -2.829 -2.562 4.030 93 HA GLU 14 HA GLU 14 -4.225 -2.867 6.582 94 HB2 GLU 14 2HB GLU 14 -5.650 -1.379 4.959 95 HB3 GLU 14 3HB GLU 14 -5.769 -2.817 3.950 96 HG2 GLU 14 2HG GLU 14 -6.838 -4.007 5.920 97 HG3 GLU 14 3HG GLU 14 -6.717 -2.507 6.834 98 H TYR 15 H TYR 15 -5.099 -5.166 6.651 99 HA TYR 15 HA TYR 15 -3.882 -6.976 4.644 100 HB2 TYR 15 2HB TYR 15 -5.598 -7.504 7.076 101 HB3 TYR 15 3HB TYR 15 -5.008 -8.744 5.972 102 HD1 TYR 15 HD1 TYR 15 -2.414 -8.619 5.414 103 HD2 TYR 15 HD2 TYR 15 -4.190 -6.833 8.899 104 HE1 TYR 15 HE1 TYR 15 -0.257 -8.904 6.654 105 HE2 TYR 15 HE2 TYR 15 -2.052 -7.142 10.145 106 HH TYR 15 HH TYR 15 0.818 -8.661 8.623 107 H ALA 16 H ALA 16 -4.913 -8.079 3.074 108 HA ALA 16 HA ALA 16 -7.275 -7.009 1.916 109 HB1 ALA 16 1HB ALA 16 -6.984 -8.887 0.343 110 HB2 ALA 16 2HB ALA 16 -5.474 -7.992 0.637 111 HB3 ALA 16 3HB ALA 16 -5.742 -9.558 1.427 112 H LYS 17 H LYS 17 -9.022 -7.099 3.359 113 HA LYS 17 HA LYS 17 -9.804 -9.400 4.860 114 HB2 LYS 17 2HB LYS 17 -11.558 -7.077 3.947 115 HB3 LYS 17 3HB LYS 17 -11.877 -8.152 5.297 116 HG2 LYS 17 2HG LYS 17 -9.674 -6.062 5.082 117 HG3 LYS 17 3HG LYS 17 -11.092 -6.011 6.110 118 HD2 LYS 17 2HD LYS 17 -8.763 -7.962 6.400 119 HD3 LYS 17 3HD LYS 17 -9.062 -6.526 7.380 120 HE2 LYS 17 2HE LYS 17 -11.248 -7.494 8.117 121 HE3 LYS 17 3HE LYS 17 -10.896 -8.961 7.198 122 HZ1 LYS 17 3HZ LYS 17 -10.278 -9.210 9.530 123 HZ2 LYS 17 1HZ LYS 17 -8.931 -9.290 8.614 124 HZ3 LYS 17 2HZ LYS 17 -9.268 -7.933 9.464 125 H SER 18 H SER 18 -10.386 -8.645 1.559 126 HA SER 18 HA SER 18 -11.779 -11.195 1.106 127 HB2 SER 18 2HB SER 18 -13.631 -9.635 1.505 128 HB3 SER 18 3HB SER 18 -12.983 -8.517 0.288 129 HG SER 18 HG SER 18 -14.704 -10.137 -0.326 130 H ASN 19 H ASN 19 -11.765 -11.799 -1.134 131 HA ASN 19 HA ASN 19 -9.504 -10.793 -2.712 132 HB2 ASN 19 2HB ASN 19 -9.901 -13.191 -2.533 133 HB3 ASN 19 3HB ASN 19 -11.549 -13.006 -3.137 134 HD21 ASN 19 2HD2 ASN 19 -8.284 -11.884 -4.330 135 HD22 ASN 19 1HD2 ASN 19 -8.510 -12.654 -5.893 136 H ARG 20 H ARG 20 -12.645 -9.675 -2.315 137 HA ARG 20 HA ARG 20 -13.437 -9.020 -4.983 138 HB2 ARG 20 2HB ARG 20 -14.104 -7.795 -2.297 139 HB3 ARG 20 3HB ARG 20 -14.786 -7.210 -3.823 140 HG2 ARG 20 2HG ARG 20 -15.635 -9.491 -4.343 141 HG3 ARG 20 3HG ARG 20 -15.034 -10.067 -2.778 142 HD2 ARG 20 2HD ARG 20 -16.462 -8.368 -1.644 143 HD3 ARG 20 3HD ARG 20 -17.066 -7.857 -3.237 144 HE ARG 20 HE ARG 20 -17.471 -10.667 -2.971 145 HH11 ARG 20 1HH2 ARG 20 -18.798 -7.729 -1.599 146 HH12 ARG 20 2HH2 ARG 20 -20.341 -8.471 -1.269 147 HH21 ARG 20 1HH1 ARG 20 -19.461 -11.550 -2.526 148 HH22 ARG 20 2HH1 ARG 20 -20.698 -10.580 -1.784 149 H SER 21 H SER 21 -11.092 -7.334 -2.907 150 HA SER 21 HA SER 21 -10.989 -4.942 -4.544 151 HB2 SER 21 2HB SER 21 -8.819 -4.531 -3.315 152 HB3 SER 21 3HB SER 21 -10.274 -4.670 -2.327 153 HG SER 21 HG SER 21 -8.569 -6.896 -2.801 154 H THR 22 H THR 22 -9.269 -4.228 -5.925 155 HA THR 22 HA THR 22 -7.712 -6.382 -7.273 156 HB THR 22 HB THR 22 -9.309 -4.252 -8.681 157 HG1 THR 22 1HG THR 22 -10.726 -5.766 -9.246 158 HG21 THR 22 1HG2 THR 22 -7.934 -6.713 -9.823 159 HG22 THR 22 2HG2 THR 22 -8.879 -5.527 -10.737 160 HG23 THR 22 3HG2 THR 22 -7.346 -5.043 -10.006 161 H CYS 23 HN CYS 23 -5.726 -5.833 -7.933 162 HA CYS 23 HA CYS 23 -4.548 -3.407 -6.921 163 HB2 CYS 23 2HB CYS 23 -3.395 -5.499 -6.827 164 HB3 CYS 23 3HB CYS 23 -3.649 -5.769 -8.554 165 H LYS 24 H LYS 24 -4.789 -1.563 -7.870 166 HA LYS 24 HA LYS 24 -5.236 -1.148 -10.737 167 HB2 LYS 24 2HB LYS 24 -4.697 0.789 -8.476 168 HB3 LYS 24 3HB LYS 24 -5.399 1.174 -10.060 169 HG2 LYS 24 2HG LYS 24 -6.714 -0.451 -7.844 170 HG3 LYS 24 3HG LYS 24 -7.118 1.182 -8.346 171 HD2 LYS 24 2HD LYS 24 -7.785 0.305 -10.596 172 HD3 LYS 24 3HD LYS 24 -7.489 -1.347 -9.992 173 HE2 LYS 24 2HE LYS 24 -9.148 -1.044 -8.215 174 HE3 LYS 24 3HE LYS 24 -9.398 0.641 -8.691 175 HZ1 LYS 24 3HZ LYS 24 -11.131 -0.781 -9.601 176 HZ2 LYS 24 1HZ LYS 24 -10.265 -0.148 -10.827 177 HZ3 LYS 24 2HZ LYS 24 -10.050 -1.711 -10.391 178 H GLY 25 H GLY 25 -2.496 -1.888 -8.978 179 HA2 GLY 25 2HA GLY 25 -0.568 -0.322 -10.574 180 HA3 GLY 25 3HA GLY 25 -0.218 -1.581 -9.393 181 H CYS 26 HN CYS 26 -1.914 -3.621 -10.691 182 HA CYS 26 HA CYS 26 -0.591 -3.965 -13.337 183 HB2 CYS 26 2HB CYS 26 0.170 -6.152 -12.898 184 HB3 CYS 26 3HB CYS 26 0.794 -5.100 -11.629 185 H MET 27 H MET 27 -3.539 -3.998 -11.825 186 HA MET 27 HA MET 27 -5.598 -4.622 -12.365 187 HB2 MET 27 2HB MET 27 -4.554 -5.065 -15.171 188 HB3 MET 27 3HB MET 27 -6.249 -4.965 -14.723 189 HG2 MET 27 2HG MET 27 -4.434 -2.653 -14.030 190 HG3 MET 27 3HG MET 27 -4.914 -2.907 -15.693 191 HE1 MET 27 3HE MET 27 -7.503 -3.563 -12.569 192 HE2 MET 27 1HE MET 27 -6.230 -2.429 -12.061 193 HE3 MET 27 2HE MET 27 -7.897 -1.854 -12.304 194 H GLU 28 H GLU 28 -4.487 -6.414 -10.875 195 HA GLU 28 HA GLU 28 -5.877 -8.872 -11.765 196 HB2 GLU 28 2HB GLU 28 -3.072 -8.908 -10.573 197 HB3 GLU 28 3HB GLU 28 -4.155 -10.296 -10.680 198 HG2 GLU 28 2HG GLU 28 -4.255 -9.921 -13.194 199 HG3 GLU 28 3HG GLU 28 -2.961 -8.735 -13.000 200 H LYS 29 H LYS 29 -6.760 -10.110 -10.004 201 HA LYS 29 HA LYS 29 -7.644 -8.256 -7.967 202 HB2 LYS 29 2HB LYS 29 -8.425 -11.162 -8.195 203 HB3 LYS 29 3HB LYS 29 -9.166 -9.888 -7.205 204 HG2 LYS 29 2HG LYS 29 -9.590 -8.612 -9.399 205 HG3 LYS 29 3HG LYS 29 -9.125 -10.086 -10.240 206 HD2 LYS 29 2HD LYS 29 -11.536 -10.010 -10.105 207 HD3 LYS 29 3HD LYS 29 -10.946 -11.324 -9.092 208 HE2 LYS 29 2HE LYS 29 -12.736 -10.185 -7.930 209 HE3 LYS 29 3HE LYS 29 -11.222 -9.904 -7.074 210 HZ1 LYS 29 3HZ LYS 29 -12.560 -7.972 -8.891 211 HZ2 LYS 29 1HZ LYS 29 -12.443 -7.833 -7.262 212 HZ3 LYS 29 2HZ LYS 29 -11.111 -7.701 -8.174 213 H ILE 30 H ILE 30 -7.294 -8.127 -5.872 214 HA ILE 30 HA ILE 30 -4.694 -9.063 -4.987 215 HB ILE 30 HB ILE 30 -6.836 -7.267 -3.874 216 HG12 ILE 30 2HG1 ILE 30 -3.902 -6.740 -4.537 217 HG13 ILE 30 3HG1 ILE 30 -5.166 -6.660 -5.752 218 HG21 ILE 30 1HG2 ILE 30 -5.471 -6.705 -1.971 219 HG22 ILE 30 2HG2 ILE 30 -5.858 -8.413 -1.892 220 HG23 ILE 30 3HG2 ILE 30 -4.236 -7.903 -2.428 221 HD11 ILE 30 3HD1 ILE 30 -6.310 -4.871 -4.505 222 HD12 ILE 30 1HD1 ILE 30 -4.999 -4.886 -3.292 223 HD13 ILE 30 2HD1 ILE 30 -4.655 -4.449 -4.974 224 H GLU 31 H GLU 31 -4.114 -10.543 -3.436 225 HA GLU 31 HA GLU 31 -6.012 -12.720 -3.091 226 HB2 GLU 31 2HB GLU 31 -3.193 -12.506 -1.994 227 HB3 GLU 31 3HB GLU 31 -4.188 -13.958 -2.141 228 HG2 GLU 31 2HG GLU 31 -4.172 -13.498 -4.678 229 HG3 GLU 31 3HG GLU 31 -2.917 -12.293 -4.330 230 H LYS 32 H LYS 32 -7.167 -13.223 -1.350 231 HA LYS 32 HA LYS 32 -7.469 -11.427 0.876 232 HB2 LYS 32 2HB LYS 32 -9.197 -12.935 -0.163 233 HB3 LYS 32 3HB LYS 32 -8.433 -14.320 0.599 234 HG2 LYS 32 2HG LYS 32 -9.439 -11.944 2.215 235 HG3 LYS 32 3HG LYS 32 -10.533 -13.199 1.642 236 HD2 LYS 32 2HD LYS 32 -9.256 -14.927 2.863 237 HD3 LYS 32 3HD LYS 32 -8.182 -13.675 3.520 238 HE2 LYS 32 2HE LYS 32 -10.118 -12.533 4.555 239 HE3 LYS 32 3HE LYS 32 -11.208 -13.748 3.880 240 HZ1 LYS 32 3HZ LYS 32 -10.647 -14.260 6.183 241 HZ2 LYS 32 1HZ LYS 32 -10.061 -15.433 5.218 242 HZ3 LYS 32 2HZ LYS 32 -9.052 -14.313 5.850 243 H GLY 33 H GLY 33 -6.630 -11.401 2.869 244 HA2 GLY 33 2HA GLY 33 -5.529 -12.092 4.779 245 HA3 GLY 33 3HA GLY 33 -5.237 -13.671 4.059 246 H GLN 34 H GLN 34 -4.016 -11.111 2.048 247 HA GLN 34 HA GLN 34 -1.451 -10.967 3.531 248 HB2 GLN 34 2HB GLN 34 -0.165 -10.930 1.476 249 HB3 GLN 34 3HB GLN 34 -0.983 -12.455 1.746 250 HG2 GLN 34 2HG GLN 34 -1.111 -12.012 -0.597 251 HG3 GLN 34 3HG GLN 34 -2.722 -11.798 0.061 252 HE21 GLN 34 2HE2 GLN 34 -3.721 -9.777 -0.319 253 HE22 GLN 34 1HE2 GLN 34 -2.788 -8.302 -0.416 254 H VAL 35 H VAL 35 -0.187 -8.905 2.726 255 HA VAL 35 HA VAL 35 -1.892 -6.742 3.558 256 HB VAL 35 HB VAL 35 0.941 -6.715 2.479 257 HG11 VAL 35 1HG1 VAL 35 0.033 -4.459 2.216 258 HG12 VAL 35 2HG1 VAL 35 -0.620 -4.495 3.875 259 HG13 VAL 35 3HG1 VAL 35 1.130 -4.495 3.590 260 HG21 VAL 35 3HG2 VAL 35 -0.141 -6.539 5.324 261 HG22 VAL 35 1HG2 VAL 35 0.690 -7.943 4.618 262 HG23 VAL 35 2HG2 VAL 35 1.560 -6.429 4.841 263 H ARG 36 H ARG 36 -2.752 -5.003 2.489 264 HA ARG 36 HA ARG 36 -2.278 -4.668 -0.413 265 HB2 ARG 36 2HB ARG 36 -4.590 -4.141 -0.871 266 HB3 ARG 36 3HB ARG 36 -4.393 -5.803 -0.309 267 HG2 ARG 36 2HG ARG 36 -5.318 -5.268 1.868 268 HG3 ARG 36 3HG ARG 36 -5.367 -3.548 1.484 269 HD2 ARG 36 2HD ARG 36 -6.977 -3.996 -0.361 270 HD3 ARG 36 3HD ARG 36 -6.954 -5.715 0.053 271 HE ARG 36 HE ARG 36 -7.676 -3.872 2.258 272 HH11 ARG 36 1HH2 ARG 36 -9.132 -5.817 -0.339 273 HH12 ARG 36 2HH2 ARG 36 -10.652 -5.821 0.496 274 HH21 ARG 36 1HH1 ARG 36 -9.555 -3.915 3.139 275 HH22 ARG 36 2HH1 ARG 36 -10.932 -4.733 2.405 276 H LEU 37 H LEU 37 -2.021 -2.605 -1.055 277 HA LEU 37 HA LEU 37 -2.116 -0.490 1.052 278 HB2 LEU 37 2HB LEU 37 -0.294 -0.494 -1.373 279 HB3 LEU 37 3HB LEU 37 -0.311 0.602 0.032 280 HG LEU 37 HG LEU 37 1.587 -0.609 0.286 281 HD11 LEU 37 1HD1 LEU 37 1.360 -1.671 2.387 282 HD12 LEU 37 2HD1 LEU 37 0.147 -0.379 2.254 283 HD13 LEU 37 3HD1 LEU 37 -0.349 -2.070 2.094 284 HD21 LEU 37 3HD2 LEU 37 0.142 -3.289 0.044 285 HD22 LEU 37 1HD2 LEU 37 1.059 -2.520 -1.264 286 HD23 LEU 37 2HD2 LEU 37 1.868 -2.982 0.250 287 H SER 38 H SER 38 -2.656 1.685 0.332 288 HA SER 38 HA SER 38 -4.056 1.843 -2.272 289 HB2 SER 38 2HB SER 38 -5.778 1.330 -0.603 290 HB3 SER 38 3HB SER 38 -5.283 2.742 0.345 291 HG SER 38 HG SER 38 -7.064 3.212 -0.961 292 H LYS 39 H LYS 39 -4.151 3.844 -3.211 293 HA LYS 39 HA LYS 39 -2.715 6.151 -1.917 294 HB2 LYS 39 2HB LYS 39 -1.653 5.432 -4.022 295 HB3 LYS 39 3HB LYS 39 -3.213 5.482 -4.842 296 HG2 LYS 39 2HG LYS 39 -2.058 7.405 -5.534 297 HG3 LYS 39 3HG LYS 39 -3.313 7.966 -4.432 298 HD2 LYS 39 2HD LYS 39 -1.577 8.132 -2.615 299 HD3 LYS 39 3HD LYS 39 -0.349 7.623 -3.790 300 HE2 LYS 39 2HE LYS 39 -0.989 9.563 -5.241 301 HE3 LYS 39 3HE LYS 39 -2.149 10.081 -4.003 302 HZ1 LYS 39 3HZ LYS 39 -0.264 10.340 -2.451 303 HZ2 LYS 39 1HZ LYS 39 0.785 9.862 -3.611 304 HZ3 LYS 39 2HZ LYS 39 -0.041 11.266 -3.783 305 H LYS 40 H LYS 40 -3.921 7.918 -1.403 306 HA LYS 40 HA LYS 40 -6.735 8.090 -2.356 307 HB2 LYS 40 2HB LYS 40 -6.445 8.033 0.011 308 HB3 LYS 40 3HB LYS 40 -5.316 9.372 -0.021 309 HG2 LYS 40 2HG LYS 40 -8.178 9.656 -1.067 310 HG3 LYS 40 3HG LYS 40 -7.832 9.742 0.652 311 HD2 LYS 40 2HD LYS 40 -6.848 11.629 -1.500 312 HD3 LYS 40 3HD LYS 40 -8.006 11.970 -0.228 313 HE2 LYS 40 2HE LYS 40 -5.036 11.408 0.164 314 HE3 LYS 40 3HE LYS 40 -5.774 13.002 0.136 315 HZ1 LYS 40 3HZ LYS 40 -6.494 10.934 2.145 316 HZ2 LYS 40 1HZ LYS 40 -5.417 12.130 2.412 317 HZ3 LYS 40 2HZ LYS 40 -6.990 12.492 2.128 318 H MET 41 H MET 41 -7.007 9.249 -4.179 319 HA MET 41 HA MET 41 -5.937 11.964 -4.374 320 HB2 MET 41 2HB MET 41 -4.675 11.703 -6.431 321 HB3 MET 41 3HB MET 41 -3.942 10.777 -5.128 322 HG2 MET 41 2HG MET 41 -5.001 8.703 -6.027 323 HG3 MET 41 3HG MET 41 -5.685 9.651 -7.353 324 HE1 MET 41 3HE MET 41 -3.090 7.534 -9.211 325 HE2 MET 41 1HE MET 41 -4.114 7.075 -7.831 326 HE3 MET 41 2HE MET 41 -4.777 8.105 -9.125 327 H VAL 42 H VAL 42 -7.200 13.272 -5.773 328 HA VAL 42 HA VAL 42 -9.536 12.276 -6.992 329 HB VAL 42 HB VAL 42 -9.287 14.601 -6.476 330 HG11 VAL 42 1HG1 VAL 42 -6.902 14.984 -7.024 331 HG12 VAL 42 2HG1 VAL 42 -7.285 14.845 -8.754 332 HG13 VAL 42 3HG1 VAL 42 -7.969 16.165 -7.791 333 HG21 VAL 42 3HG2 VAL 42 -9.648 14.256 -9.463 334 HG22 VAL 42 1HG2 VAL 42 -10.879 13.912 -8.220 335 HG23 VAL 42 2HG2 VAL 42 -10.281 15.564 -8.444 336 H ASP 43 H ASP 43 -10.013 11.271 -8.837 337 HA ASP 43 HA ASP 43 -7.904 10.050 -10.367 338 HB2 ASP 43 2HB ASP 43 -10.049 8.958 -9.846 339 HB3 ASP 43 3HB ASP 43 -10.911 10.146 -10.817 340 HA PRO 44 HA PRO 44 -7.381 13.484 -13.083 341 HB2 PRO 44 2HB PRO 44 -5.632 12.442 -14.939 342 HB3 PRO 44 3HB PRO 44 -5.184 12.761 -13.235 343 HG2 PRO 44 2HG PRO 44 -6.117 10.128 -14.441 344 HG3 PRO 44 3HG PRO 44 -4.663 10.424 -13.427 345 HD2 PRO 44 2HD PRO 44 -6.955 9.493 -12.361 346 HD3 PRO 44 3HD PRO 44 -5.966 10.704 -11.486 347 H GLU 45 H GLU 45 -8.981 10.631 -14.242 348 HA GLU 45 HA GLU 45 -9.852 12.037 -16.751 349 HB2 GLU 45 2HB GLU 45 -10.075 9.112 -15.949 350 HB3 GLU 45 3HB GLU 45 -10.711 9.831 -17.432 351 HG2 GLU 45 2HG GLU 45 -8.382 10.542 -18.048 352 HG3 GLU 45 3HG GLU 45 -7.773 9.665 -16.642 353 H LYS 46 H LYS 46 -10.796 11.381 -13.568 354 HA LYS 46 HA LYS 46 -13.672 11.996 -14.078 355 HB2 LYS 46 2HB LYS 46 -12.646 9.682 -12.398 356 HB3 LYS 46 3HB LYS 46 -14.332 10.179 -12.548 357 HG2 LYS 46 2HG LYS 46 -14.371 9.605 -14.912 358 HG3 LYS 46 3HG LYS 46 -12.667 9.135 -14.879 359 HD2 LYS 46 2HD LYS 46 -14.871 7.888 -13.208 360 HD3 LYS 46 3HD LYS 46 -14.232 7.197 -14.705 361 HE2 LYS 46 2HE LYS 46 -12.755 7.572 -12.064 362 HE3 LYS 46 3HE LYS 46 -13.256 6.048 -12.794 363 HZ1 LYS 46 3HZ LYS 46 -11.161 7.893 -13.830 364 HZ2 LYS 46 1HZ LYS 46 -10.911 6.451 -13.177 365 HZ3 LYS 46 2HZ LYS 46 -11.670 6.535 -14.633 366 HA PRO 47 HA PRO 47 -11.824 14.113 -10.327 367 HB2 PRO 47 2HB PRO 47 -11.934 16.748 -11.056 368 HB3 PRO 47 3HB PRO 47 -10.565 15.663 -11.443 369 HG2 PRO 47 2HG PRO 47 -12.936 16.361 -13.220 370 HG3 PRO 47 3HG PRO 47 -11.188 16.410 -13.636 371 HD2 PRO 47 2HD PRO 47 -12.742 14.282 -14.283 372 HD3 PRO 47 3HD PRO 47 -11.044 14.077 -13.752 373 H GLN 48 H GLN 48 -14.779 13.925 -11.932 374 HA GLN 48 HA GLN 48 -16.360 15.627 -10.111 375 HB2 GLN 48 2HB GLN 48 -17.176 13.523 -12.165 376 HB3 GLN 48 3HB GLN 48 -18.280 14.577 -11.285 377 HG2 GLN 48 2HG GLN 48 -16.172 15.480 -13.305 378 HG3 GLN 48 3HG GLN 48 -17.910 15.397 -13.566 379 HE21 GLN 48 2HE2 GLN 48 -19.312 16.862 -12.137 380 HE22 GLN 48 1HE2 GLN 48 -18.597 18.393 -11.655 381 H LEU 49 H LEU 49 -15.181 12.306 -10.317 382 HA LEU 49 HA LEU 49 -16.864 11.149 -8.299 383 HB2 LEU 49 2HB LEU 49 -15.073 10.377 -10.270 384 HB3 LEU 49 3HB LEU 49 -14.118 10.078 -8.838 385 HG LEU 49 HG LEU 49 -16.964 9.018 -9.183 386 HD11 LEU 49 1HD1 LEU 49 -14.330 7.794 -10.083 387 HD12 LEU 49 2HD1 LEU 49 -15.916 6.969 -10.093 388 HD13 LEU 49 3HD1 LEU 49 -15.645 8.398 -11.118 389 HD21 LEU 49 3HD2 LEU 49 -14.582 8.091 -7.521 390 HD22 LEU 49 1HD2 LEU 49 -16.069 8.840 -6.905 391 HD23 LEU 49 2HD2 LEU 49 -16.138 7.235 -7.651 392 H GLY 50 H GLY 50 -13.954 13.131 -8.174 393 HA2 GLY 50 2HA GLY 50 -12.939 14.157 -6.348 394 HA3 GLY 50 3HA GLY 50 -13.962 13.234 -5.244 395 H MET 51 H MET 51 -11.895 13.000 -4.089 396 HA MET 51 HA MET 51 -9.697 11.575 -5.047 397 HB2 MET 51 2HB MET 51 -10.479 11.688 -2.135 398 HB3 MET 51 3HB MET 51 -8.874 11.626 -2.873 399 HG2 MET 51 2HG MET 51 -9.619 13.927 -3.977 400 HG3 MET 51 3HG MET 51 -10.827 13.932 -2.696 401 HE1 MET 51 3HE MET 51 -7.083 13.220 -3.281 402 HE2 MET 51 1HE MET 51 -7.370 14.884 -3.819 403 HE3 MET 51 2HE MET 51 -6.308 14.577 -2.418 404 H ILE 52 H ILE 52 -9.468 9.520 -5.604 405 HA ILE 52 HA ILE 52 -11.392 7.504 -4.662 406 HB ILE 52 HB ILE 52 -10.364 6.031 -6.399 407 HG12 ILE 52 2HG1 ILE 52 -9.104 8.498 -7.619 408 HG13 ILE 52 3HG1 ILE 52 -8.178 7.437 -6.547 409 HG21 ILE 52 1HG2 ILE 52 -11.580 8.623 -7.407 410 HG22 ILE 52 2HG2 ILE 52 -11.558 7.060 -8.252 411 HG23 ILE 52 3HG2 ILE 52 -12.453 7.221 -6.732 412 HD11 ILE 52 3HD1 ILE 52 -7.838 6.873 -8.914 413 HD12 ILE 52 1HD1 ILE 52 -8.578 5.525 -8.014 414 HD13 ILE 52 2HD1 ILE 52 -9.559 6.527 -9.106 415 H ASP 53 H ASP 53 -10.663 5.371 -4.222 416 HA ASP 53 HA ASP 53 -8.161 5.262 -2.573 417 HB2 ASP 53 2HB ASP 53 -10.752 3.679 -2.345 418 HB3 ASP 53 3HB ASP 53 -9.271 3.303 -1.469 419 H ARG 54 H ARG 54 -6.755 4.763 -4.160 420 HA ARG 54 HA ARG 54 -7.360 2.677 -6.196 421 HB2 ARG 54 2HB ARG 54 -6.185 5.145 -6.398 422 HB3 ARG 54 3HB ARG 54 -4.753 4.115 -6.237 423 HG2 ARG 54 2HG ARG 54 -5.340 2.851 -8.152 424 HG3 ARG 54 3HG ARG 54 -6.954 3.591 -8.262 425 HD2 ARG 54 2HD ARG 54 -5.944 5.753 -8.766 426 HD3 ARG 54 3HD ARG 54 -4.320 5.061 -8.648 427 HE ARG 54 HE ARG 54 -6.207 4.820 -10.867 428 HH11 ARG 54 1HH2 ARG 54 -3.283 3.342 -9.525 429 HH12 ARG 54 2HH2 ARG 54 -3.050 2.390 -10.972 430 HH21 ARG 54 1HH1 ARG 54 -5.680 3.700 -12.705 431 HH22 ARG 54 2HH1 ARG 54 -4.258 2.700 -12.732 432 H TRP 55 H TRP 55 -7.075 0.637 -5.431 433 HA TRP 55 HA TRP 55 -5.078 0.105 -3.379 434 HB2 TRP 55 2HB TRP 55 -7.133 -1.679 -4.690 435 HB3 TRP 55 3HB TRP 55 -6.017 -2.215 -3.443 436 HD1 TRP 55 HD1 TRP 55 -9.189 -0.232 -3.913 437 HE1 TRP 55 HE1 TRP 55 -10.205 0.388 -1.645 438 HE3 TRP 55 HE3 TRP 55 -5.322 -1.678 -0.843 439 HZ2 TRP 55 HZ2 TRP 55 -9.430 0.336 1.128 440 HZ3 TRP 55 HZ3 TRP 55 -5.467 -1.280 1.601 441 HH2 TRP 55 HH2 TRP 55 -7.518 -0.307 2.599 442 H TYR 56 H TYR 56 -3.534 -1.563 -3.408 443 HA TYR 56 HA TYR 56 -2.376 -2.519 -5.960 444 HB2 TYR 56 2HB TYR 56 -0.925 -0.951 -3.786 445 HB3 TYR 56 3HB TYR 56 -0.180 -1.653 -5.220 446 HD1 TYR 56 HD2 TYR 56 -0.915 -0.826 -7.494 447 HD2 TYR 56 HD1 TYR 56 -1.859 1.258 -3.860 448 HE1 TYR 56 HE2 TYR 56 -1.508 1.230 -8.824 449 HE2 TYR 56 HE1 TYR 56 -2.475 3.275 -5.176 450 HH TYR 56 HH TYR 56 -2.608 4.224 -7.231 451 H HIS 57 H HIS 57 -0.916 -4.187 -5.741 452 HA HIS 57 HA HIS 57 -0.907 -5.998 -3.419 453 HB2 HIS 57 2HB HIS 57 0.846 -5.915 -5.886 454 HB3 HIS 57 3HB HIS 57 0.971 -7.128 -4.643 455 HD2 HIS 57 HD2 HIS 57 -1.404 -8.596 -4.153 456 HE1 HIS 57 HE1 HIS 57 -2.615 -8.410 -8.226 457 HE2 HIS 57 HE2 HIS 57 -2.924 -9.649 -6.041 458 HA PRO 58 HA PRO 58 2.719 -4.196 -1.320 459 HB2 PRO 58 2HB PRO 58 3.764 -7.014 -1.129 460 HB3 PRO 58 3HB PRO 58 3.620 -5.769 0.155 461 HG2 PRO 58 2HG PRO 58 1.791 -7.744 0.029 462 HG3 PRO 58 3HG PRO 58 1.237 -6.046 0.247 463 HD2 PRO 58 2HD PRO 58 1.396 -7.637 -2.336 464 HD3 PRO 58 3HD PRO 58 0.014 -6.720 -1.672 465 H GLY 59 H GLY 59 3.318 -6.314 -4.065 466 HA2 GLY 59 2HA GLY 59 6.085 -5.368 -4.486 467 HA3 GLY 59 3HA GLY 59 5.119 -6.370 -5.576 468 H CYS 60 HN CYS 60 2.865 -4.867 -6.030 469 HA CYS 60 HA CYS 60 3.827 -3.212 -8.049 470 HB2 CYS 60 2HB CYS 60 1.004 -3.409 -6.949 471 HB3 CYS 60 3HB CYS 60 1.466 -2.868 -8.571 472 H PHE 61 H PHE 61 2.369 -2.250 -4.903 473 HA PHE 61 HA PHE 61 2.151 0.510 -5.573 474 HB2 PHE 61 2HB PHE 61 1.453 0.808 -3.478 475 HB3 PHE 61 3HB PHE 61 1.381 -0.949 -3.456 476 HD1 PHE 61 HD1 PHE 61 3.231 -2.259 -2.472 477 HD2 PHE 61 HD2 PHE 61 3.056 2.010 -2.143 478 HE1 PHE 61 HE1 PHE 61 4.734 -2.365 -0.462 479 HE2 PHE 61 HE2 PHE 61 4.544 1.925 -0.126 480 HZ PHE 61 HZ PHE 61 5.372 -0.265 0.710 481 H VAL 62 H VAL 62 4.947 -1.355 -4.391 482 HA VAL 62 HA VAL 62 6.791 0.869 -4.362 483 HB VAL 62 HB VAL 62 7.475 -2.061 -4.751 484 HG11 VAL 62 1HG1 VAL 62 9.117 0.324 -3.792 485 HG12 VAL 62 2HG1 VAL 62 9.647 -1.372 -3.758 486 HG13 VAL 62 3HG1 VAL 62 9.350 -0.579 -5.303 487 HG21 VAL 62 3HG2 VAL 62 7.039 -0.404 -2.236 488 HG22 VAL 62 1HG2 VAL 62 6.244 -1.915 -2.707 489 HG23 VAL 62 2HG2 VAL 62 7.941 -1.933 -2.250 490 H LYS 63 H LYS 63 5.912 -1.484 -6.938 491 HA LYS 63 HA LYS 63 7.766 -0.619 -8.888 492 HB2 LYS 63 2HB LYS 63 6.354 -2.642 -9.076 493 HB3 LYS 63 3HB LYS 63 4.916 -1.633 -9.246 494 HG2 LYS 63 2HG LYS 63 5.765 -0.721 -11.380 495 HG3 LYS 63 3HG LYS 63 7.220 -1.709 -11.214 496 HD2 LYS 63 2HD LYS 63 5.635 -2.755 -12.754 497 HD3 LYS 63 3HD LYS 63 5.883 -3.759 -11.332 498 HE2 LYS 63 2HE LYS 63 3.552 -3.789 -11.992 499 HE3 LYS 63 3HE LYS 63 3.709 -3.062 -10.397 500 HZ1 LYS 63 3HZ LYS 63 2.194 -1.889 -12.021 501 HZ2 LYS 63 1HZ LYS 63 3.283 -0.913 -11.320 502 HZ3 LYS 63 2HZ LYS 63 3.505 -1.429 -12.872 503 H ASN 64 H ASN 64 4.637 0.851 -8.037 504 HA ASN 64 HA ASN 64 5.184 3.100 -9.917 505 HB2 ASN 64 2HB ASN 64 2.571 3.452 -9.117 506 HB3 ASN 64 3HB ASN 64 3.173 2.853 -10.638 507 HD21 ASN 64 1HD2 ASN 64 1.641 1.913 -7.599 508 HD22 ASN 64 2HD2 ASN 64 1.188 0.331 -8.216 509 H ARG 65 H ARG 65 6.209 2.657 -6.897 510 HA ARG 65 HA ARG 65 5.067 4.658 -5.400 511 HB2 ARG 65 2HB ARG 65 6.701 4.406 -3.887 512 HB3 ARG 65 3HB ARG 65 6.945 2.948 -4.783 513 HG2 ARG 65 2HG ARG 65 8.573 5.504 -5.205 514 HG3 ARG 65 3HG ARG 65 9.028 4.228 -4.079 515 HD2 ARG 65 2HD ARG 65 9.438 2.655 -5.748 516 HD3 ARG 65 3HD ARG 65 8.430 3.512 -6.921 517 HE ARG 65 HE ARG 65 10.949 4.811 -6.017 518 HH11 ARG 65 1HH2 ARG 65 9.353 3.076 -8.630 519 HH12 ARG 65 2HH2 ARG 65 10.166 4.051 -9.851 520 HH21 ARG 65 1HH1 ARG 65 12.182 5.722 -7.679 521 HH22 ARG 65 2HH1 ARG 65 11.838 5.266 -9.329 522 H GLU 66 H GLU 66 7.376 5.210 -7.987 523 HA GLU 66 HA GLU 66 7.790 8.005 -7.463 524 HB2 GLU 66 2HB GLU 66 8.680 8.108 -9.733 525 HB3 GLU 66 3HB GLU 66 9.323 6.731 -8.850 526 HG2 GLU 66 2HG GLU 66 7.693 5.233 -10.048 527 HG3 GLU 66 3HG GLU 66 7.101 6.622 -10.950 528 H GLU 67 H GLU 67 5.212 6.251 -9.043 529 HA GLU 67 HA GLU 67 3.910 8.608 -10.189 530 HB2 GLU 67 2HB GLU 67 2.693 5.860 -9.884 531 HB3 GLU 67 3HB GLU 67 2.238 7.170 -10.974 532 HG2 GLU 67 2HG GLU 67 4.691 6.828 -11.916 533 HG3 GLU 67 3HG GLU 67 4.554 5.259 -11.099 534 H LEU 68 H LEU 68 3.542 6.362 -7.438 535 HA LEU 68 HA LEU 68 1.233 7.712 -6.320 536 HB2 LEU 68 2HB LEU 68 3.095 5.759 -4.946 537 HB3 LEU 68 3HB LEU 68 1.456 6.177 -4.479 538 HG LEU 68 HG LEU 68 2.352 4.538 -6.871 539 HD11 LEU 68 1HD1 LEU 68 0.567 3.907 -4.508 540 HD12 LEU 68 2HD1 LEU 68 0.951 2.806 -5.842 541 HD13 LEU 68 3HD1 LEU 68 2.242 3.354 -4.758 542 HD21 LEU 68 3HD2 LEU 68 0.550 5.945 -7.703 543 HD22 LEU 68 1HD2 LEU 68 0.057 4.271 -7.546 544 HD23 LEU 68 2HD2 LEU 68 -0.476 5.459 -6.325 545 H GLY 69 H GLY 69 4.553 8.552 -6.201 546 HA2 GLY 69 2HA GLY 69 5.147 10.768 -5.668 547 HA3 GLY 69 3HA GLY 69 3.772 10.910 -4.577 548 H PHE 70 H PHE 70 5.870 8.119 -4.253 549 HA PHE 70 HA PHE 70 6.513 8.750 -1.506 550 HB2 PHE 70 2HB PHE 70 7.334 6.597 -3.458 551 HB3 PHE 70 3HB PHE 70 8.105 6.725 -1.896 552 HD1 PHE 70 HD1 PHE 70 4.845 6.035 -3.553 553 HD2 PHE 70 HD2 PHE 70 7.072 6.085 0.110 554 HE1 PHE 70 HE1 PHE 70 3.050 4.703 -2.447 555 HE2 PHE 70 HE2 PHE 70 5.295 4.782 1.240 556 HZ PHE 70 HZ PHE 70 3.282 4.067 -0.059 557 H ARG 71 H ARG 71 8.248 9.571 -0.583 558 HA ARG 71 HA ARG 71 10.873 9.555 -1.939 559 HB2 ARG 71 2HB ARG 71 9.782 11.873 -0.284 560 HB3 ARG 71 3HB ARG 71 11.446 11.726 -0.843 561 HG2 ARG 71 2HG ARG 71 10.746 11.861 -3.180 562 HG3 ARG 71 3HG ARG 71 9.034 11.897 -2.708 563 HD2 ARG 71 2HD ARG 71 9.365 13.973 -1.477 564 HD3 ARG 71 3HD ARG 71 11.085 13.964 -1.863 565 HE ARG 71 HE ARG 71 10.652 14.584 -4.077 566 HH11 ARG 71 1HH2 ARG 71 7.555 14.236 -2.435 567 HH12 ARG 71 2HH2 ARG 71 6.678 14.829 -3.818 568 HH21 ARG 71 1HH1 ARG 71 9.459 15.401 -5.745 569 HH22 ARG 71 2HH1 ARG 71 7.731 15.515 -5.611 570 HA PRO 72 HA PRO 72 12.138 7.440 1.700 571 HB2 PRO 72 2HB PRO 72 14.511 9.305 1.877 572 HB3 PRO 72 3HB PRO 72 14.474 7.515 1.961 573 HG2 PRO 72 2HG PRO 72 15.215 8.732 -0.332 574 HG3 PRO 72 3HG PRO 72 14.075 7.346 -0.400 575 HD2 PRO 72 2HD PRO 72 13.434 10.312 -0.509 576 HD3 PRO 72 3HD PRO 72 12.827 8.981 -1.539 577 H GLU 73 H GLU 73 12.095 10.981 2.009 578 HA GLU 73 HA GLU 73 12.162 11.102 4.870 579 HB2 GLU 73 2HB GLU 73 11.476 13.397 4.604 580 HB3 GLU 73 3HB GLU 73 12.696 12.987 3.400 581 HG2 GLU 73 2HG GLU 73 10.859 12.686 1.702 582 HG3 GLU 73 3HG GLU 73 9.693 13.216 2.913 583 H TYR 74 H TYR 74 9.626 9.985 2.839 584 HA TYR 74 HA TYR 74 7.955 9.512 5.158 585 HB2 TYR 74 2HB TYR 74 5.883 10.460 4.000 586 HB3 TYR 74 3HB TYR 74 6.961 11.519 4.856 587 HD1 TYR 74 HD2 TYR 74 7.275 10.285 1.274 588 HD2 TYR 74 HD1 TYR 74 6.626 13.608 3.948 589 HE1 TYR 74 HE2 TYR 74 7.310 11.849 -0.656 590 HE2 TYR 74 HE1 TYR 74 6.686 15.167 2.018 591 HH TYR 74 HH TYR 74 6.884 15.380 -0.239 592 H SER 75 H SER 75 9.121 7.523 4.263 593 HA SER 75 HA SER 75 8.003 6.319 1.896 594 HB2 SER 75 2HB SER 75 10.389 6.234 2.818 595 HB3 SER 75 3HB SER 75 9.778 4.934 3.873 596 HG SER 75 HG SER 75 10.669 4.414 1.675 597 H ALA 76 H ALA 76 7.920 3.577 2.630 598 HA ALA 76 HA ALA 76 5.205 3.178 3.038 599 HB1 ALA 76 1HB ALA 76 6.828 1.518 2.118 600 HB2 ALA 76 2HB ALA 76 7.438 1.226 3.766 601 HB3 ALA 76 3HB ALA 76 5.766 0.822 3.355 602 H SER 77 H SER 77 7.506 3.749 5.627 603 HA SER 77 HA SER 77 5.949 2.587 7.766 604 HB2 SER 77 2HB SER 77 7.559 3.785 9.208 605 HB3 SER 77 3HB SER 77 8.364 2.850 7.938 606 HG SER 77 HG SER 77 9.216 4.990 8.120 607 H GLN 78 H GLN 78 5.399 5.376 5.887 608 HA GLN 78 HA GLN 78 3.596 6.467 7.951 609 HB2 GLN 78 2HB GLN 78 5.070 7.959 5.759 610 HB3 GLN 78 3HB GLN 78 3.857 8.651 6.843 611 HG2 GLN 78 2HG GLN 78 5.274 7.921 8.815 612 HG3 GLN 78 3HG GLN 78 6.543 7.466 7.677 613 HE21 GLN 78 2HE2 GLN 78 4.563 10.299 8.743 614 HE22 GLN 78 1HE2 GLN 78 5.823 11.471 8.339 615 H LEU 79 H LEU 79 3.015 4.279 6.153 616 HA LEU 79 HA LEU 79 0.687 5.318 4.637 617 HB2 LEU 79 2HB LEU 79 1.720 2.520 5.328 618 HB3 LEU 79 3HB LEU 79 0.210 2.790 4.485 619 HG LEU 79 HG LEU 79 2.762 3.870 3.276 620 HD11 LEU 79 1HD1 LEU 79 1.807 1.019 2.830 621 HD12 LEU 79 2HD1 LEU 79 3.182 1.830 2.073 622 HD13 LEU 79 3HD1 LEU 79 3.214 1.439 3.799 623 HD21 LEU 79 3HD2 LEU 79 0.416 4.287 2.386 624 HD22 LEU 79 1HD2 LEU 79 1.566 3.619 1.227 625 HD23 LEU 79 2HD2 LEU 79 0.343 2.579 1.969 626 H LYS 80 H LYS 80 -1.396 5.328 5.417 627 HA LYS 80 HA LYS 80 -1.983 5.332 8.185 628 HB2 LYS 80 2HB LYS 80 -3.963 4.554 5.995 629 HB3 LYS 80 3HB LYS 80 -4.343 5.100 7.624 630 HG2 LYS 80 2HG LYS 80 -3.176 7.270 7.066 631 HG3 LYS 80 3HG LYS 80 -3.113 6.730 5.381 632 HD2 LYS 80 2HD LYS 80 -5.598 7.176 7.112 633 HD3 LYS 80 3HD LYS 80 -5.011 8.267 5.853 634 HE2 LYS 80 2HE LYS 80 -5.442 6.575 4.125 635 HE3 LYS 80 3HE LYS 80 -5.951 5.407 5.358 636 HZ1 LYS 80 3HZ LYS 80 -7.796 6.885 5.919 637 HZ2 LYS 80 1HZ LYS 80 -7.332 7.980 4.800 638 HZ3 LYS 80 2HZ LYS 80 -7.861 6.508 4.335 639 H GLY 81 H GLY 81 -2.405 3.795 9.678 640 HA2 GLY 81 2HA GLY 81 -2.890 1.748 10.623 641 HA3 GLY 81 3HA GLY 81 -3.459 1.176 9.053 642 H PHE 82 H PHE 82 -0.190 2.219 8.694 643 HA PHE 82 HA PHE 82 0.853 -0.359 8.227 644 HB2 PHE 82 2HB PHE 82 1.915 1.549 7.303 645 HB3 PHE 82 3HB PHE 82 2.053 2.351 8.858 646 HD1 PHE 82 HD2 PHE 82 3.741 1.727 10.491 647 HD2 PHE 82 HD1 PHE 82 3.669 -0.010 6.551 648 HE1 PHE 82 HE2 PHE 82 6.111 1.008 10.768 649 HE2 PHE 82 HE1 PHE 82 6.037 -0.700 6.816 650 HZ PHE 82 HZ PHE 82 7.250 -0.211 8.919 651 H SER 83 H SER 83 1.192 1.734 11.144 652 HA SER 83 HA SER 83 2.623 -0.071 12.766 653 HB2 SER 83 2HB SER 83 0.628 2.074 13.591 654 HB3 SER 83 3HB SER 83 1.862 1.346 14.637 655 HG SER 83 HG SER 83 2.434 3.393 13.693 656 H LEU 84 H LEU 84 -0.743 -0.202 11.890 657 HA LEU 84 HA LEU 84 -1.538 -1.906 14.178 658 HB2 LEU 84 2HB LEU 84 -3.047 -0.506 11.946 659 HB3 LEU 84 3HB LEU 84 -3.784 -1.770 12.910 660 HG LEU 84 HG LEU 84 -3.446 -0.497 14.977 661 HD11 LEU 84 1HD1 LEU 84 -1.537 0.930 14.520 662 HD12 LEU 84 2HD1 LEU 84 -2.384 1.707 13.155 663 HD13 LEU 84 3HD1 LEU 84 -2.933 1.955 14.827 664 HD21 LEU 84 3HD2 LEU 84 -4.848 1.067 12.766 665 HD22 LEU 84 1HD2 LEU 84 -5.532 -0.307 13.664 666 HD23 LEU 84 2HD2 LEU 84 -5.162 1.200 14.512 667 H LEU 85 H LEU 85 -0.132 -2.432 11.134 668 HA LEU 85 HA LEU 85 -1.243 -5.100 10.624 669 HB2 LEU 85 2HB LEU 85 1.341 -3.759 9.744 670 HB3 LEU 85 3HB LEU 85 0.776 -5.300 9.140 671 HG LEU 85 HG LEU 85 -0.811 -2.734 8.749 672 HD11 LEU 85 1HD1 LEU 85 1.105 -4.170 6.855 673 HD12 LEU 85 2HD1 LEU 85 0.110 -2.751 6.467 674 HD13 LEU 85 3HD1 LEU 85 1.423 -2.614 7.648 675 HD21 LEU 85 3HD2 LEU 85 -1.000 -5.442 7.407 676 HD22 LEU 85 1HD2 LEU 85 -2.184 -4.716 8.524 677 HD23 LEU 85 2HD2 LEU 85 -1.889 -3.980 6.946 678 H ALA 86 H ALA 86 0.788 -6.800 10.472 679 HA ALA 86 HA ALA 86 1.775 -7.262 13.221 680 HB1 ALA 86 1HB ALA 86 2.081 -8.951 10.706 681 HB2 ALA 86 2HB ALA 86 2.443 -9.437 12.375 682 HB3 ALA 86 3HB ALA 86 0.761 -9.130 11.884 683 H THR 87 H THR 87 3.990 -7.193 13.714 684 HA THR 87 HA THR 87 5.467 -5.217 12.339 685 HB THR 87 HB THR 87 6.419 -7.220 14.368 686 HG1 THR 87 1HG THR 87 5.769 -5.600 15.813 687 HG21 THR 87 1HG2 THR 87 8.343 -5.988 13.421 688 HG22 THR 87 2HG2 THR 87 7.487 -4.445 13.635 689 HG23 THR 87 3HG2 THR 87 8.003 -5.392 15.050 690 H GLU 88 H GLU 88 5.684 -8.734 12.013 691 HA GLU 88 HA GLU 88 8.009 -8.795 10.347 692 HB2 GLU 88 2HB GLU 88 7.253 -10.972 9.664 693 HB3 GLU 88 3HB GLU 88 7.010 -10.761 11.400 694 HG2 GLU 88 2HG GLU 88 4.575 -10.274 10.952 695 HG3 GLU 88 3HG GLU 88 4.855 -10.622 9.244 696 H ASP 89 H ASP 89 4.687 -7.808 9.600 697 HA ASP 89 HA ASP 89 5.247 -7.698 6.688 698 HB2 ASP 89 2HB ASP 89 2.789 -7.042 8.335 699 HB3 ASP 89 3HB ASP 89 2.934 -6.686 6.622 700 H LYS 90 H LYS 90 4.950 -5.447 9.438 701 HA LYS 90 HA LYS 90 5.282 -2.971 8.020 702 HB2 LYS 90 2HB LYS 90 6.327 -3.814 10.756 703 HB3 LYS 90 3HB LYS 90 6.286 -2.158 10.186 704 HG2 LYS 90 2HG LYS 90 3.889 -2.129 10.091 705 HG3 LYS 90 3HG LYS 90 3.787 -3.859 10.410 706 HD2 LYS 90 2HD LYS 90 5.199 -3.155 12.602 707 HD3 LYS 90 3HD LYS 90 4.375 -1.615 12.319 708 HE2 LYS 90 2HE LYS 90 2.220 -2.659 12.508 709 HE3 LYS 90 3HE LYS 90 2.908 -4.265 12.312 710 HZ1 LYS 90 3HZ LYS 90 3.964 -4.068 14.489 711 HZ2 LYS 90 1HZ LYS 90 3.333 -2.558 14.695 712 HZ3 LYS 90 2HZ LYS 90 2.343 -3.845 14.605 713 H GLU 91 H GLU 91 7.706 -5.248 9.304 714 HA GLU 91 HA GLU 91 10.017 -3.886 8.243 715 HB2 GLU 91 2HB GLU 91 9.516 -6.780 9.044 716 HB3 GLU 91 3HB GLU 91 11.091 -6.178 8.530 717 HG2 GLU 91 2HG GLU 91 9.532 -5.041 10.886 718 HG3 GLU 91 3HG GLU 91 10.758 -6.297 11.019 719 H ALA 92 H ALA 92 7.951 -6.506 6.851 720 HA ALA 92 HA ALA 92 9.520 -6.819 4.496 721 HB1 ALA 92 1HB ALA 92 6.549 -7.290 4.878 722 HB2 ALA 92 2HB ALA 92 7.580 -7.973 3.603 723 HB3 ALA 92 3HB ALA 92 7.851 -8.434 5.297 724 H LEU 93 H LEU 93 6.901 -4.438 5.150 725 HA LEU 93 HA LEU 93 6.826 -3.403 2.442 726 HB2 LEU 93 2HB LEU 93 6.032 -2.276 5.152 727 HB3 LEU 93 3HB LEU 93 5.771 -1.416 3.638 728 HG LEU 93 HG LEU 93 4.559 -4.144 4.250 729 HD11 LEU 93 1HD1 LEU 93 3.706 -2.416 5.778 730 HD12 LEU 93 2HD1 LEU 93 3.341 -1.354 4.395 731 HD13 LEU 93 3HD1 LEU 93 2.466 -2.885 4.611 732 HD21 LEU 93 3HD2 LEU 93 3.958 -2.113 2.064 733 HD22 LEU 93 1HD2 LEU 93 4.750 -3.690 1.831 734 HD23 LEU 93 2HD2 LEU 93 3.070 -3.623 2.364 735 H LYS 94 H LYS 94 8.628 -2.437 5.401 736 HA LYS 94 HA LYS 94 10.112 -0.276 4.203 737 HB2 LYS 94 2HB LYS 94 10.654 -2.116 6.567 738 HB3 LYS 94 3HB LYS 94 11.730 -0.793 6.106 739 HG2 LYS 94 2HG LYS 94 10.085 0.878 6.574 740 HG3 LYS 94 3HG LYS 94 8.784 -0.312 6.691 741 HD2 LYS 94 2HD LYS 94 9.466 0.471 8.921 742 HD3 LYS 94 3HD LYS 94 9.734 -1.267 8.715 743 HE2 LYS 94 2HE LYS 94 12.165 -0.736 8.192 744 HE3 LYS 94 3HE LYS 94 11.831 0.948 8.626 745 HZ1 LYS 94 3HZ LYS 94 11.171 0.112 10.855 746 HZ2 LYS 94 1HZ LYS 94 11.517 -1.429 10.397 747 HZ3 LYS 94 2HZ LYS 94 12.714 -0.323 10.512 748 H LYS 95 H LYS 95 10.811 -3.766 4.454 749 HA LYS 95 HA LYS 95 13.432 -3.650 3.411 750 HB2 LYS 95 2HB LYS 95 11.363 -5.850 3.551 751 HB3 LYS 95 3HB LYS 95 12.898 -6.138 2.732 752 HG2 LYS 95 2HG LYS 95 14.192 -5.664 4.684 753 HG3 LYS 95 3HG LYS 95 12.792 -5.069 5.579 754 HD2 LYS 95 2HD LYS 95 11.757 -7.329 5.469 755 HD3 LYS 95 3HD LYS 95 13.181 -7.949 4.625 756 HE2 LYS 95 2HE LYS 95 13.201 -6.684 7.409 757 HE3 LYS 95 3HE LYS 95 13.089 -8.420 7.108 758 HZ1 LYS 95 3HZ LYS 95 15.374 -7.781 7.536 759 HZ2 LYS 95 1HZ LYS 95 15.258 -8.310 5.999 760 HZ3 LYS 95 2HZ LYS 95 15.382 -6.708 6.309 761 H GLN 96 H GLN 96 10.461 -3.411 1.690 762 HA GLN 96 HA GLN 96 11.777 -3.700 -0.973 763 HB2 GLN 96 2HB GLN 96 8.859 -3.480 -0.145 764 HB3 GLN 96 3HB GLN 96 9.437 -3.591 -1.816 765 HG2 GLN 96 2HG GLN 96 10.327 -5.803 -1.479 766 HG3 GLN 96 3HG GLN 96 10.049 -5.734 0.262 767 HE21 GLN 96 2HE2 GLN 96 7.835 -5.741 1.069 768 HE22 GLN 96 1HE2 GLN 96 6.561 -6.441 0.060 769 H LEU 97 H LEU 97 10.105 -1.325 1.104 770 HA LEU 97 HA LEU 97 11.254 0.907 -0.471 771 HB2 LEU 97 2HB LEU 97 9.096 0.424 -1.423 772 HB3 LEU 97 3HB LEU 97 8.312 0.467 0.151 773 HG LEU 97 HG LEU 97 8.576 2.849 0.315 774 HD11 LEU 97 1HD1 LEU 97 10.238 2.693 -2.243 775 HD12 LEU 97 2HD1 LEU 97 9.651 4.196 -1.484 776 HD13 LEU 97 3HD1 LEU 97 10.820 3.187 -0.635 777 HD21 LEU 97 3HD2 LEU 97 7.781 2.110 -2.522 778 HD22 LEU 97 1HD2 LEU 97 6.747 2.003 -1.082 779 HD23 LEU 97 2HD2 LEU 97 7.315 3.580 -1.641 780 HA PRO 98 HA PRO 98 11.555 1.730 4.036 781 HB2 PRO 98 2HB PRO 98 14.287 2.017 4.238 782 HB3 PRO 98 3HB PRO 98 13.425 0.461 4.300 783 HG2 PRO 98 2HG PRO 98 15.106 1.555 2.110 784 HG3 PRO 98 3HG PRO 98 14.590 -0.132 2.424 785 HD2 PRO 98 2HD PRO 98 13.458 1.798 0.563 786 HD3 PRO 98 3HD PRO 98 13.035 0.080 0.805 787 H GLY 99 H GLY 99 12.036 3.694 5.254 788 HA2 GLY 99 2HA GLY 99 12.777 6.105 3.658 789 HA3 GLY 99 3HA GLY 99 11.605 6.092 4.972 790 H VAL 100 H VAL 100 13.038 7.872 5.495 791 HA VAL 100 HA VAL 100 15.660 7.435 6.673 792 HB VAL 100 HB VAL 100 13.743 9.802 6.826 793 HG11 VAL 100 1HG1 VAL 100 16.660 9.605 7.706 794 HG12 VAL 100 2HG1 VAL 100 15.738 11.115 7.547 795 HG13 VAL 100 3HG1 VAL 100 15.250 9.925 8.752 796 HG21 VAL 100 3HG2 VAL 100 16.273 9.361 5.176 797 HG22 VAL 100 1HG2 VAL 100 14.614 9.363 4.546 798 HG23 VAL 100 2HG2 VAL 100 15.296 10.846 5.215 799 H LYS 101 H LYS 101 16.266 7.050 8.609 800 HA LYS 101 HA LYS 101 14.307 6.918 10.853 801 HB2 LYS 101 2HB LYS 101 14.843 4.694 9.464 802 HB3 LYS 101 3HB LYS 101 16.303 4.696 10.451 803 HG2 LYS 101 2HG LYS 101 14.489 5.154 12.415 804 HG3 LYS 101 3HG LYS 101 13.384 4.522 11.215 805 HD2 LYS 101 2HD LYS 101 14.133 2.768 12.793 806 HD3 LYS 101 3HD LYS 101 14.604 2.393 11.138 807 HE2 LYS 101 2HE LYS 101 16.381 1.851 12.767 808 HE3 LYS 101 3HE LYS 101 16.910 3.017 11.561 809 HZ1 LYS 101 3HZ LYS 101 16.615 4.790 13.198 810 HZ2 LYS 101 1HZ LYS 101 16.059 3.721 14.320 811 HZ3 LYS 101 2HZ LYS 101 17.604 3.644 13.806 812 H SER 102 H SER 102 16.676 8.723 10.202 813 HA SER 102 HA SER 102 18.844 8.137 11.914 814 HB2 SER 102 2HB SER 102 17.903 10.872 10.977 815 HB3 SER 102 3HB SER 102 19.538 10.429 11.506 816 HG SER 102 HG SER 102 19.369 10.407 9.226 817 H GLU 103 H GLU 103 15.774 9.664 12.719 818 HA GLU 103 HA GLU 103 16.722 10.775 15.268 819 HB2 GLU 103 2HB GLU 103 13.912 10.426 14.150 820 HB3 GLU 103 3HB GLU 103 14.333 11.342 15.595 821 HG2 GLU 103 2HG GLU 103 15.187 11.988 12.737 822 HG3 GLU 103 3HG GLU 103 13.949 12.813 13.668 823 H GLY 104 H GLY 104 14.748 7.952 14.307 824 HA2 GLY 104 2HA GLY 104 14.377 5.949 15.357 825 HA3 GLY 104 3HA GLY 104 15.631 6.382 16.519 826 H LYS 105 H LYS 105 13.232 8.757 16.710 827 HA LYS 105 HA LYS 105 12.403 7.663 19.308 828 HB2 LYS 105 2HB LYS 105 12.171 10.439 18.079 829 HB3 LYS 105 3HB LYS 105 11.547 10.040 19.666 830 HG2 LYS 105 2HG LYS 105 14.448 10.057 18.801 831 HG3 LYS 105 3HG LYS 105 13.651 11.091 19.976 832 HD2 LYS 105 2HD LYS 105 14.371 8.156 20.274 833 HD3 LYS 105 3HD LYS 105 15.002 9.524 21.190 834 HE2 LYS 105 2HE LYS 105 12.804 9.890 22.248 835 HE3 LYS 105 3HE LYS 105 12.088 8.619 21.253 836 HZ1 LYS 105 3HZ LYS 105 14.073 8.265 23.407 837 HZ2 LYS 105 1HZ LYS 105 12.542 7.653 23.296 838 HZ3 LYS 105 2HZ LYS 105 13.723 7.068 22.319 839 H ARG 106 H ARG 106 11.048 6.905 16.606 840 HA ARG 106 HA ARG 106 8.317 7.593 16.715 841 HB2 ARG 106 2HB ARG 106 9.510 6.364 14.879 842 HB3 ARG 106 3HB ARG 106 9.519 4.911 15.884 843 HG2 ARG 106 2HG ARG 106 7.011 4.915 15.872 844 HG3 ARG 106 3HG ARG 106 7.036 6.374 14.860 845 HD2 ARG 106 2HD ARG 106 8.301 5.093 13.127 846 HD3 ARG 106 3HD ARG 106 8.218 3.657 14.143 847 HE ARG 106 HE ARG 106 5.773 3.649 13.906 848 HH11 ARG 106 1HH2 ARG 106 7.432 5.621 11.503 849 HH12 ARG 106 2HH2 ARG 106 6.129 5.374 10.348 850 HH21 ARG 106 1HH1 ARG 106 4.170 3.455 12.312 851 HH22 ARG 106 2HH1 ARG 106 4.461 4.235 10.767 852 H LYS 107 H LYS 107 10.038 5.271 18.704 853 HA LYS 107 HA LYS 107 7.583 4.219 19.935 854 HB2 LYS 107 2HB LYS 107 9.841 2.964 19.220 855 HB3 LYS 107 3HB LYS 107 10.344 3.442 20.833 856 HG2 LYS 107 2HG LYS 107 9.473 1.226 20.956 857 HG3 LYS 107 3HG LYS 107 8.271 2.269 21.728 858 HD2 LYS 107 2HD LYS 107 6.829 2.154 19.745 859 HD3 LYS 107 3HD LYS 107 8.090 1.306 18.845 860 HE2 LYS 107 2HE LYS 107 6.407 -0.277 19.558 861 HE3 LYS 107 3HE LYS 107 7.936 -0.622 20.371 862 HZ1 LYS 107 3HZ LYS 107 5.994 -0.704 21.871 863 HZ2 LYS 107 1HZ LYS 107 7.080 0.391 22.382 864 HZ3 LYS 107 2HZ LYS 107 5.702 0.883 21.631 865 H GLY 108 H GLY 108 8.950 7.065 20.485 866 HA2 GLY 108 2HA GLY 108 8.568 8.593 22.155 867 HA3 GLY 108 3HA GLY 108 7.471 7.417 22.871 868 H ASP 109 H ASP 109 7.983 6.657 24.831 869 HA ASP 109 HA ASP 109 10.397 7.457 26.231 870 HB2 ASP 109 2HB ASP 109 8.114 7.232 27.243 871 HB3 ASP 109 3HB ASP 109 8.204 5.489 26.996 872 H GLU 110 H GLU 110 9.675 4.736 24.244 873 HA GLU 110 HA GLU 110 12.026 3.242 25.278 874 HB2 GLU 110 2HB GLU 110 10.037 2.429 23.142 875 HB3 GLU 110 3HB GLU 110 11.300 1.415 23.835 876 HG2 GLU 110 2HG GLU 110 10.169 1.609 26.070 877 HG3 GLU 110 3HG GLU 110 8.850 2.498 25.294 878 H VAL 111 H VAL 111 13.418 2.245 23.486 879 HA VAL 111 HA VAL 111 15.147 2.617 22.068 880 HB VAL 111 HB VAL 111 13.145 4.041 20.278 881 HG11 VAL 111 1HG1 VAL 111 15.511 4.227 19.529 882 HG12 VAL 111 2HG1 VAL 111 15.698 2.466 19.676 883 HG13 VAL 111 3HG1 VAL 111 14.590 3.159 18.472 884 HG21 VAL 111 3HG2 VAL 111 12.231 1.841 20.932 885 HG22 VAL 111 1HG2 VAL 111 12.780 1.816 19.256 886 HG23 VAL 111 2HG2 VAL 111 13.776 1.065 20.522 887 H ASP 112 H ASP 112 16.019 3.900 23.794 888 HA ASP 112 HA ASP 112 16.396 6.786 23.154 889 HB2 ASP 112 2HB ASP 112 14.483 6.280 24.813 890 HB3 ASP 112 3HB ASP 112 15.733 5.780 25.942 Start of MODEL 30 1 H1 GLY 1 H1 GLY 1 9.407 13.366 19.436 2 H2 GLY 1 H2 GLY 1 8.073 12.442 19.672 3 H3 GLY 1 H3 GLY 1 8.476 13.593 20.765 4 HA2 GLY 1 2HA GLY 1 8.070 15.348 19.172 5 HA3 GLY 1 3HA GLY 1 7.652 14.107 17.978 6 H SER 2 H SER 2 5.925 16.210 18.717 7 HA SER 2 HA SER 2 3.556 14.697 19.585 8 HB2 SER 2 2HB SER 2 4.606 15.670 21.681 9 HB3 SER 2 3HB SER 2 4.286 17.283 21.014 10 HG SER 2 HG SER 2 2.607 16.456 22.417 11 H LYS 3 H LYS 3 1.584 16.100 19.400 12 HA LYS 3 HA LYS 3 0.096 17.060 17.949 13 HB2 LYS 3 2HB LYS 3 2.112 19.328 18.082 14 HB3 LYS 3 3HB LYS 3 0.414 19.468 17.610 15 HG2 LYS 3 2HG LYS 3 -0.278 18.636 19.857 16 HG3 LYS 3 3HG LYS 3 1.426 18.604 20.352 17 HD2 LYS 3 2HD LYS 3 1.607 21.037 19.918 18 HD3 LYS 3 3HD LYS 3 -0.103 21.076 19.429 19 HE2 LYS 3 2HE LYS 3 -0.759 20.250 21.682 20 HE3 LYS 3 3HE LYS 3 0.942 20.219 22.168 21 HZ1 LYS 3 3HZ LYS 3 -0.151 22.260 22.902 22 HZ2 LYS 3 1HZ LYS 3 1.014 22.633 21.823 23 HZ3 LYS 3 2HZ LYS 3 -0.557 22.662 21.374 24 H ALA 4 H ALA 4 1.748 15.297 16.557 25 HA ALA 4 HA ALA 4 1.392 16.302 13.796 26 HB1 ALA 4 1HB ALA 4 3.761 16.741 14.353 27 HB2 ALA 4 2HB ALA 4 3.972 15.040 14.827 28 HB3 ALA 4 3HB ALA 4 3.617 15.458 13.136 29 H GLU 5 H GLU 5 1.180 14.642 12.215 30 HA GLU 5 HA GLU 5 -0.015 12.149 13.275 31 HB2 GLU 5 2HB GLU 5 0.046 13.286 10.455 32 HB3 GLU 5 3HB GLU 5 -0.832 11.849 10.966 33 HG2 GLU 5 2HG GLU 5 -1.348 14.720 11.842 34 HG3 GLU 5 3HG GLU 5 -2.349 13.740 10.780 35 H LYS 6 H LYS 6 0.518 10.065 12.588 36 HA LYS 6 HA LYS 6 3.354 9.582 12.015 37 HB2 LYS 6 2HB LYS 6 0.991 7.682 12.330 38 HB3 LYS 6 3HB LYS 6 2.675 7.184 12.122 39 HG2 LYS 6 2HG LYS 6 3.305 8.410 14.191 40 HG3 LYS 6 3HG LYS 6 1.606 8.864 14.433 41 HD2 LYS 6 2HD LYS 6 0.983 6.461 14.598 42 HD3 LYS 6 3HD LYS 6 2.664 6.009 14.294 43 HE2 LYS 6 2HE LYS 6 2.306 5.819 16.646 44 HE3 LYS 6 3HE LYS 6 3.361 7.206 16.371 45 HZ1 LYS 6 3HZ LYS 6 1.421 8.655 16.681 46 HZ2 LYS 6 1HZ LYS 6 0.433 7.366 16.891 47 HZ3 LYS 6 2HZ LYS 6 1.598 7.692 17.983 48 H THR 7 H THR 7 0.365 9.389 10.139 49 HA THR 7 HA THR 7 1.666 8.321 7.746 50 HB THR 7 HB THR 7 -1.053 9.643 7.875 51 HG1 THR 7 1HG THR 7 -1.914 7.828 8.648 52 HG21 THR 7 1HG2 THR 7 -1.620 8.295 6.045 53 HG22 THR 7 2HG2 THR 7 0.024 8.701 5.643 54 HG23 THR 7 3HG2 THR 7 -0.287 7.142 6.340 55 H LEU 8 H LEU 8 2.089 9.499 5.766 56 HA LEU 8 HA LEU 8 2.285 12.414 5.964 57 HB2 LEU 8 2HB LEU 8 3.310 12.437 3.971 58 HB3 LEU 8 3HB LEU 8 3.707 10.810 4.494 59 HG LEU 8 HG LEU 8 1.510 11.584 2.499 60 HD11 LEU 8 1HD1 LEU 8 4.158 10.197 2.003 61 HD12 LEU 8 2HD1 LEU 8 2.933 10.641 0.802 62 HD13 LEU 8 3HD1 LEU 8 3.824 11.909 1.658 63 HD21 LEU 8 3HD2 LEU 8 2.533 8.856 3.365 64 HD22 LEU 8 1HD2 LEU 8 0.915 9.485 3.668 65 HD23 LEU 8 2HD2 LEU 8 1.415 9.160 2.013 66 H GLY 9 H GLY 9 -0.376 10.377 5.311 67 HA2 GLY 9 2HA GLY 9 -2.601 11.063 5.222 68 HA3 GLY 9 3HA GLY 9 -2.117 12.670 4.702 69 H ASP 10 H ASP 10 -0.816 9.949 2.827 70 HA ASP 10 HA ASP 10 -2.775 10.582 0.664 71 HB2 ASP 10 2HB ASP 10 -0.489 11.770 0.609 72 HB3 ASP 10 3HB ASP 10 0.179 10.173 0.216 73 H PHE 11 H PHE 11 -1.295 7.941 2.357 74 HA PHE 11 HA PHE 11 -2.539 6.054 0.506 75 HB2 PHE 11 2HB PHE 11 -0.227 4.803 0.376 76 HB3 PHE 11 3HB PHE 11 -0.715 6.000 -0.779 77 HD1 PHE 11 HD1 PHE 11 1.348 5.848 2.405 78 HD2 PHE 11 HD2 PHE 11 0.775 7.560 -1.512 79 HE1 PHE 11 HE1 PHE 11 3.644 6.761 2.467 80 HE2 PHE 11 HE2 PHE 11 3.041 8.555 -1.399 81 HZ PHE 11 HZ PHE 11 4.494 8.121 0.576 82 H ALA 12 H ALA 12 -2.914 3.999 1.347 83 HA ALA 12 HA ALA 12 -2.544 3.728 4.287 84 HB1 ALA 12 1HB ALA 12 -4.741 2.548 2.550 85 HB2 ALA 12 2HB ALA 12 -4.658 2.563 4.319 86 HB3 ALA 12 3HB ALA 12 -4.900 4.071 3.440 87 H ALA 13 H ALA 13 -2.494 1.618 5.243 88 HA ALA 13 HA ALA 13 -1.876 -0.689 3.489 89 HB1 ALA 13 1HB ALA 13 -0.248 0.080 5.963 90 HB2 ALA 13 2HB ALA 13 0.010 -1.328 4.900 91 HB3 ALA 13 3HB ALA 13 0.273 0.314 4.284 92 H GLU 14 H GLU 14 -2.944 -2.515 4.127 93 HA GLU 14 HA GLU 14 -3.748 -3.136 6.834 94 HB2 GLU 14 2HB GLU 14 -6.184 -3.182 6.334 95 HB3 GLU 14 3HB GLU 14 -5.531 -1.555 6.408 96 HG2 GLU 14 2HG GLU 14 -5.548 -1.361 3.970 97 HG3 GLU 14 3HG GLU 14 -6.001 -3.063 3.806 98 H TYR 15 H TYR 15 -5.318 -5.234 6.562 99 HA TYR 15 HA TYR 15 -4.070 -6.930 4.453 100 HB2 TYR 15 2HB TYR 15 -5.705 -7.715 6.863 101 HB3 TYR 15 3HB TYR 15 -5.039 -8.819 5.661 102 HD1 TYR 15 HD1 TYR 15 -2.601 -9.213 5.486 103 HD2 TYR 15 HD2 TYR 15 -4.206 -6.488 8.413 104 HE1 TYR 15 HE1 TYR 15 -0.420 -9.241 6.712 105 HE2 TYR 15 HE2 TYR 15 -2.059 -6.583 9.669 106 HH TYR 15 HH TYR 15 0.752 -8.458 8.473 107 H ALA 16 H ALA 16 -5.179 -7.975 2.894 108 HA ALA 16 HA ALA 16 -7.358 -6.624 1.736 109 HB1 ALA 16 1HB ALA 16 -6.156 -9.333 1.178 110 HB2 ALA 16 2HB ALA 16 -7.246 -8.456 0.076 111 HB3 ALA 16 3HB ALA 16 -5.648 -7.787 0.474 112 H LYS 17 H LYS 17 -9.361 -6.587 2.607 113 HA LYS 17 HA LYS 17 -10.432 -8.630 4.299 114 HB2 LYS 17 2HB LYS 17 -10.893 -6.166 4.421 115 HB3 LYS 17 3HB LYS 17 -11.818 -6.280 2.932 116 HG2 LYS 17 2HG LYS 17 -13.282 -6.185 4.880 117 HG3 LYS 17 3HG LYS 17 -13.496 -7.691 4.008 118 HD2 LYS 17 2HD LYS 17 -13.566 -8.046 6.420 119 HD3 LYS 17 3HD LYS 17 -12.195 -8.908 5.721 120 HE2 LYS 17 2HE LYS 17 -10.668 -7.087 6.454 121 HE3 LYS 17 3HE LYS 17 -12.046 -6.182 7.095 122 HZ1 LYS 17 3HZ LYS 17 -10.915 -7.429 8.846 123 HZ2 LYS 17 1HZ LYS 17 -12.430 -8.003 8.667 124 HZ3 LYS 17 2HZ LYS 17 -11.160 -8.847 8.076 125 H SER 18 H SER 18 -10.780 -8.117 0.851 126 HA SER 18 HA SER 18 -11.988 -10.778 0.601 127 HB2 SER 18 2HB SER 18 -13.951 -9.213 0.771 128 HB3 SER 18 3HB SER 18 -13.378 -8.405 -0.709 129 HG SER 18 HG SER 18 -14.963 -10.202 -0.926 130 H ASN 19 H ASN 19 -11.805 -11.673 -1.472 131 HA ASN 19 HA ASN 19 -9.549 -10.755 -3.049 132 HB2 ASN 19 2HB ASN 19 -10.126 -13.154 -2.469 133 HB3 ASN 19 3HB ASN 19 -11.495 -13.040 -3.577 134 HD21 ASN 19 2HD2 ASN 19 -8.175 -11.688 -4.152 135 HD22 ASN 19 1HD2 ASN 19 -7.689 -13.003 -5.209 136 H ARG 20 H ARG 20 -12.672 -9.701 -2.995 137 HA ARG 20 HA ARG 20 -13.007 -8.954 -5.808 138 HB2 ARG 20 2HB ARG 20 -14.247 -7.755 -3.289 139 HB3 ARG 20 3HB ARG 20 -14.785 -7.489 -4.943 140 HG2 ARG 20 2HG ARG 20 -14.957 -10.093 -3.377 141 HG3 ARG 20 3HG ARG 20 -16.282 -9.026 -3.845 142 HD2 ARG 20 2HD ARG 20 -15.750 -9.498 -6.247 143 HD3 ARG 20 3HD ARG 20 -14.507 -10.652 -5.702 144 HE ARG 20 HE ARG 20 -16.940 -11.348 -4.430 145 HH11 ARG 20 1HH2 ARG 20 -15.671 -11.389 -7.696 146 HH12 ARG 20 2HH2 ARG 20 -16.696 -12.714 -8.175 147 HH21 ARG 20 1HH1 ARG 20 -18.219 -13.032 -5.107 148 HH22 ARG 20 2HH1 ARG 20 -18.099 -13.616 -6.741 149 H SER 21 H SER 21 -10.895 -7.829 -3.360 150 HA SER 21 HA SER 21 -10.531 -5.101 -4.311 151 HB2 SER 21 2HB SER 21 -8.477 -6.890 -2.959 152 HB3 SER 21 3HB SER 21 -8.468 -5.113 -3.072 153 HG SER 21 HG SER 21 -10.154 -6.823 -1.568 154 H THR 22 H THR 22 -8.973 -4.322 -5.862 155 HA THR 22 HA THR 22 -7.496 -6.349 -7.469 156 HB THR 22 HB THR 22 -9.281 -4.234 -8.661 157 HG1 THR 22 1HG THR 22 -10.549 -5.959 -9.339 158 HG21 THR 22 1HG2 THR 22 -8.853 -5.322 -10.822 159 HG22 THR 22 2HG2 THR 22 -7.334 -4.763 -10.123 160 HG23 THR 22 3HG2 THR 22 -7.768 -6.485 -10.041 161 H CYS 23 HN CYS 23 -5.618 -5.708 -8.207 162 HA CYS 23 HA CYS 23 -4.435 -3.315 -7.118 163 HB2 CYS 23 2HB CYS 23 -3.310 -5.423 -7.001 164 HB3 CYS 23 3HB CYS 23 -3.523 -5.682 -8.733 165 H LYS 24 H LYS 24 -4.728 -1.467 -8.107 166 HA LYS 24 HA LYS 24 -4.941 -1.108 -11.025 167 HB2 LYS 24 2HB LYS 24 -4.775 0.727 -8.629 168 HB3 LYS 24 3HB LYS 24 -4.510 1.364 -10.253 169 HG2 LYS 24 2HG LYS 24 -6.807 1.670 -9.783 170 HG3 LYS 24 3HG LYS 24 -6.674 0.427 -11.013 171 HD2 LYS 24 2HD LYS 24 -7.218 -1.327 -9.407 172 HD3 LYS 24 3HD LYS 24 -7.043 -0.204 -8.055 173 HE2 LYS 24 2HE LYS 24 -9.379 -0.564 -8.403 174 HE3 LYS 24 3HE LYS 24 -9.005 1.091 -8.884 175 HZ1 LYS 24 3HZ LYS 24 -9.393 -1.193 -10.749 176 HZ2 LYS 24 1HZ LYS 24 -10.452 0.015 -10.496 177 HZ3 LYS 24 2HZ LYS 24 -9.029 0.338 -11.218 178 H GLY 25 H GLY 25 -2.336 -1.744 -9.003 179 HA2 GLY 25 2HA GLY 25 -0.227 -0.397 -10.495 180 HA3 GLY 25 3HA GLY 25 -0.044 -1.692 -9.310 181 H CYS 26 HN CYS 26 -1.764 -3.601 -10.795 182 HA CYS 26 HA CYS 26 -0.356 -3.896 -13.381 183 HB2 CYS 26 2HB CYS 26 0.347 -6.142 -13.012 184 HB3 CYS 26 3HB CYS 26 1.002 -5.125 -11.729 185 H MET 27 H MET 27 -3.326 -3.883 -12.005 186 HA MET 27 HA MET 27 -5.378 -4.480 -12.587 187 HB2 MET 27 2HB MET 27 -4.263 -4.908 -15.367 188 HB3 MET 27 3HB MET 27 -5.974 -4.837 -14.970 189 HG2 MET 27 2HG MET 27 -4.210 -2.514 -14.188 190 HG3 MET 27 3HG MET 27 -4.651 -2.741 -15.868 191 HE1 MET 27 3HE MET 27 -7.314 -3.490 -12.818 192 HE2 MET 27 1HE MET 27 -6.048 -2.373 -12.257 193 HE3 MET 27 2HE MET 27 -7.709 -1.788 -12.516 194 H GLU 28 H GLU 28 -4.365 -6.243 -11.062 195 HA GLU 28 HA GLU 28 -5.726 -8.720 -11.942 196 HB2 GLU 28 2HB GLU 28 -2.920 -8.634 -10.771 197 HB3 GLU 28 3HB GLU 28 -3.936 -10.057 -10.671 198 HG2 GLU 28 2HG GLU 28 -3.028 -8.731 -13.243 199 HG3 GLU 28 3HG GLU 28 -2.335 -10.179 -12.512 200 H LYS 29 H LYS 29 -6.363 -10.061 -10.154 201 HA LYS 29 HA LYS 29 -7.567 -8.355 -8.132 202 HB2 LYS 29 2HB LYS 29 -8.666 -10.323 -7.293 203 HB3 LYS 29 3HB LYS 29 -8.820 -10.221 -9.048 204 HG2 LYS 29 2HG LYS 29 -7.036 -11.941 -9.313 205 HG3 LYS 29 3HG LYS 29 -6.861 -12.016 -7.546 206 HD2 LYS 29 2HD LYS 29 -9.304 -12.635 -7.402 207 HD3 LYS 29 3HD LYS 29 -9.322 -12.789 -9.167 208 HE2 LYS 29 2HE LYS 29 -7.678 -14.566 -9.110 209 HE3 LYS 29 3HE LYS 29 -7.318 -14.259 -7.407 210 HZ1 LYS 29 3HZ LYS 29 -9.543 -14.977 -6.830 211 HZ2 LYS 29 1HZ LYS 29 -9.918 -15.284 -8.401 212 HZ3 LYS 29 2HZ LYS 29 -8.775 -16.174 -7.642 213 H ILE 30 H ILE 30 -7.141 -8.105 -6.026 214 HA ILE 30 HA ILE 30 -4.516 -9.006 -5.013 215 HB ILE 30 HB ILE 30 -6.587 -7.085 -3.949 216 HG12 ILE 30 2HG1 ILE 30 -3.710 -6.557 -4.798 217 HG13 ILE 30 3HG1 ILE 30 -5.043 -6.493 -5.939 218 HG21 ILE 30 1HG2 ILE 30 -4.943 -6.522 -2.184 219 HG22 ILE 30 2HG2 ILE 30 -5.500 -8.182 -2.017 220 HG23 ILE 30 3HG2 ILE 30 -3.899 -7.846 -2.725 221 HD11 ILE 30 3HD1 ILE 30 -6.134 -4.716 -4.630 222 HD12 ILE 30 1HD1 ILE 30 -4.755 -4.710 -3.495 223 HD13 ILE 30 2HD1 ILE 30 -4.514 -4.277 -5.191 224 H GLU 31 H GLU 31 -4.198 -10.638 -3.632 225 HA GLU 31 HA GLU 31 -6.342 -12.511 -3.180 226 HB2 GLU 31 2HB GLU 31 -3.464 -12.499 -2.240 227 HB3 GLU 31 3HB GLU 31 -4.584 -13.848 -2.045 228 HG2 GLU 31 2HG GLU 31 -3.685 -12.668 -4.711 229 HG3 GLU 31 3HG GLU 31 -3.034 -14.110 -3.952 230 H LYS 32 H LYS 32 -7.480 -12.986 -1.437 231 HA LYS 32 HA LYS 32 -7.793 -11.100 0.702 232 HB2 LYS 32 2HB LYS 32 -9.576 -12.622 -0.149 233 HB3 LYS 32 3HB LYS 32 -8.729 -13.997 0.574 234 HG2 LYS 32 2HG LYS 32 -9.012 -12.962 2.830 235 HG3 LYS 32 3HG LYS 32 -9.848 -11.585 2.080 236 HD2 LYS 32 2HD LYS 32 -11.617 -13.097 1.272 237 HD3 LYS 32 3HD LYS 32 -10.753 -14.487 1.973 238 HE2 LYS 32 2HE LYS 32 -10.964 -13.491 4.231 239 HE3 LYS 32 3HE LYS 32 -11.804 -12.094 3.550 240 HZ1 LYS 32 3HZ LYS 32 -13.369 -13.721 4.439 241 HZ2 LYS 32 1HZ LYS 32 -13.585 -13.592 2.829 242 HZ3 LYS 32 2HZ LYS 32 -12.808 -14.890 3.451 243 H GLY 33 H GLY 33 -7.213 -11.143 2.826 244 HA2 GLY 33 2HA GLY 33 -6.073 -11.664 4.749 245 HA3 GLY 33 3HA GLY 33 -5.847 -13.296 4.125 246 H GLN 34 H GLN 34 -4.373 -11.020 1.976 247 HA GLN 34 HA GLN 34 -1.855 -10.939 3.549 248 HB2 GLN 34 2HB GLN 34 -0.523 -11.066 1.555 249 HB3 GLN 34 3HB GLN 34 -1.476 -12.513 1.796 250 HG2 GLN 34 2HG GLN 34 -1.446 -12.064 -0.554 251 HG3 GLN 34 3HG GLN 34 -3.072 -11.747 0.019 252 HE21 GLN 34 2HE2 GLN 34 -3.919 -9.672 -0.463 253 HE22 GLN 34 1HE2 GLN 34 -2.898 -8.256 -0.448 254 H VAL 35 H VAL 35 -0.493 -8.937 2.751 255 HA VAL 35 HA VAL 35 -2.118 -6.724 3.536 256 HB VAL 35 HB VAL 35 0.709 -6.836 2.471 257 HG11 VAL 35 1HG1 VAL 35 -0.730 -4.471 3.754 258 HG12 VAL 35 2HG1 VAL 35 1.016 -4.579 3.451 259 HG13 VAL 35 3HG1 VAL 35 -0.100 -4.553 2.092 260 HG21 VAL 35 3HG2 VAL 35 -0.419 -6.483 5.284 261 HG22 VAL 35 1HG2 VAL 35 0.359 -7.950 4.651 262 HG23 VAL 35 2HG2 VAL 35 1.300 -6.472 4.841 263 H ARG 36 H ARG 36 -3.003 -5.000 2.485 264 HA ARG 36 HA ARG 36 -2.523 -4.645 -0.423 265 HB2 ARG 36 2HB ARG 36 -4.753 -4.002 -0.898 266 HB3 ARG 36 3HB ARG 36 -4.764 -5.623 -0.208 267 HG2 ARG 36 2HG ARG 36 -5.655 -4.810 1.898 268 HG3 ARG 36 3HG ARG 36 -5.492 -3.132 1.372 269 HD2 ARG 36 2HD ARG 36 -7.076 -3.563 -0.502 270 HD3 ARG 36 3HD ARG 36 -7.320 -5.209 0.090 271 HE ARG 36 HE ARG 36 -7.850 -3.420 2.253 272 HH11 ARG 36 1HH2 ARG 36 -9.499 -4.284 -0.764 273 HH12 ARG 36 2HH2 ARG 36 -10.889 -3.363 -0.297 274 HH21 ARG 36 1HH1 ARG 36 -9.657 -2.550 2.798 275 HH22 ARG 36 2HH1 ARG 36 -11.044 -2.475 1.710 276 H LEU 37 H LEU 37 -1.999 -2.634 -1.007 277 HA LEU 37 HA LEU 37 -2.035 -0.530 1.087 278 HB2 LEU 37 2HB LEU 37 -0.160 -0.595 -1.293 279 HB3 LEU 37 3HB LEU 37 -0.164 0.490 0.126 280 HG LEU 37 HG LEU 37 1.674 -0.793 0.404 281 HD11 LEU 37 1HD1 LEU 37 -0.373 -2.163 2.158 282 HD12 LEU 37 2HD1 LEU 37 1.356 -1.895 2.485 283 HD13 LEU 37 3HD1 LEU 37 0.244 -0.516 2.349 284 HD21 LEU 37 3HD2 LEU 37 0.108 -3.394 0.067 285 HD22 LEU 37 1HD2 LEU 37 1.114 -2.645 -1.184 286 HD23 LEU 37 2HD2 LEU 37 1.841 -3.187 0.350 287 H SER 38 H SER 38 -2.581 1.591 0.483 288 HA SER 38 HA SER 38 -4.073 1.763 -2.061 289 HB2 SER 38 2HB SER 38 -5.686 3.109 -1.219 290 HB3 SER 38 3HB SER 38 -5.381 2.049 0.161 291 HG SER 38 HG SER 38 -5.479 4.476 0.444 292 H LYS 39 H LYS 39 -4.271 3.931 -3.033 293 HA LYS 39 HA LYS 39 -2.669 6.029 -1.760 294 HB2 LYS 39 2HB LYS 39 -1.220 5.824 -3.586 295 HB3 LYS 39 3HB LYS 39 -2.529 5.517 -4.740 296 HG2 LYS 39 2HG LYS 39 -3.228 7.749 -4.797 297 HG3 LYS 39 3HG LYS 39 -2.378 8.161 -3.286 298 HD2 LYS 39 2HD LYS 39 -0.266 8.183 -4.307 299 HD3 LYS 39 3HD LYS 39 -0.885 7.449 -5.804 300 HE2 LYS 39 2HE LYS 39 -0.500 9.854 -6.089 301 HE3 LYS 39 3HE LYS 39 -2.202 9.427 -6.319 302 HZ1 LYS 39 3HZ LYS 39 -2.689 10.293 -4.121 303 HZ2 LYS 39 1HZ LYS 39 -1.113 10.515 -3.771 304 HZ3 LYS 39 2HZ LYS 39 -1.834 11.443 -4.914 305 H LYS 40 H LYS 40 -3.816 7.895 -1.407 306 HA LYS 40 HA LYS 40 -6.607 8.003 -2.205 307 HB2 LYS 40 2HB LYS 40 -5.899 8.727 0.004 308 HB3 LYS 40 3HB LYS 40 -4.788 9.910 -0.720 309 HG2 LYS 40 2HG LYS 40 -6.727 11.074 -1.770 310 HG3 LYS 40 3HG LYS 40 -7.823 9.871 -1.072 311 HD2 LYS 40 2HD LYS 40 -7.888 11.832 0.236 312 HD3 LYS 40 3HD LYS 40 -7.031 10.556 1.171 313 HE2 LYS 40 2HE LYS 40 -4.858 11.597 0.593 314 HE3 LYS 40 3HE LYS 40 -5.680 12.820 -0.379 315 HZ1 LYS 40 3HZ LYS 40 -6.743 13.631 1.664 316 HZ2 LYS 40 1HZ LYS 40 -5.989 12.474 2.554 317 HZ3 LYS 40 2HZ LYS 40 -5.113 13.634 1.837 318 H MET 41 H MET 41 -7.389 9.043 -3.977 319 HA MET 41 HA MET 41 -6.375 11.663 -4.699 320 HB2 MET 41 2HB MET 41 -5.985 11.188 -7.129 321 HB3 MET 41 3HB MET 41 -4.758 10.484 -6.087 322 HG2 MET 41 2HG MET 41 -5.876 8.285 -6.224 323 HG3 MET 41 3HG MET 41 -7.117 8.971 -7.278 324 HE1 MET 41 3HE MET 41 -6.523 6.776 -8.571 325 HE2 MET 41 1HE MET 41 -4.964 6.461 -9.383 326 HE3 MET 41 2HE MET 41 -5.065 6.418 -7.606 327 H VAL 42 H VAL 42 -7.991 12.936 -5.768 328 HA VAL 42 HA VAL 42 -10.538 12.046 -6.368 329 HB VAL 42 HB VAL 42 -8.864 14.007 -7.978 330 HG11 VAL 42 1HG1 VAL 42 -11.880 13.570 -7.955 331 HG12 VAL 42 2HG1 VAL 42 -11.061 14.963 -8.693 332 HG13 VAL 42 3HG1 VAL 42 -10.774 13.347 -9.334 333 HG21 VAL 42 3HG2 VAL 42 -10.859 14.476 -5.718 334 HG22 VAL 42 1HG2 VAL 42 -9.100 14.716 -5.630 335 HG23 VAL 42 2HG2 VAL 42 -10.073 15.742 -6.681 336 H ASP 43 H ASP 43 -11.396 10.624 -7.810 337 HA ASP 43 HA ASP 43 -9.703 8.869 -9.281 338 HB2 ASP 43 2HB ASP 43 -11.981 8.363 -8.339 339 HB3 ASP 43 3HB ASP 43 -12.691 9.296 -9.637 340 HA PRO 44 HA PRO 44 -9.264 11.645 -12.805 341 HB2 PRO 44 2HB PRO 44 -7.634 10.099 -14.416 342 HB3 PRO 44 3HB PRO 44 -7.056 10.954 -12.954 343 HG2 PRO 44 2HG PRO 44 -7.961 8.057 -13.167 344 HG3 PRO 44 3HG PRO 44 -6.438 8.687 -12.450 345 HD2 PRO 44 2HD PRO 44 -8.564 8.105 -10.914 346 HD3 PRO 44 3HD PRO 44 -7.585 9.564 -10.579 347 H GLU 45 H GLU 45 -10.795 8.525 -12.875 348 HA GLU 45 HA GLU 45 -11.975 9.041 -15.584 349 HB2 GLU 45 2HB GLU 45 -11.949 6.529 -13.868 350 HB3 GLU 45 3HB GLU 45 -12.750 6.704 -15.432 351 HG2 GLU 45 2HG GLU 45 -10.542 7.241 -16.483 352 HG3 GLU 45 3HG GLU 45 -9.750 6.930 -14.936 353 H LYS 46 H LYS 46 -12.638 9.475 -12.291 354 HA LYS 46 HA LYS 46 -15.507 9.990 -12.782 355 HB2 LYS 46 2HB LYS 46 -14.543 8.109 -10.595 356 HB3 LYS 46 3HB LYS 46 -16.168 8.786 -10.718 357 HG2 LYS 46 2HG LYS 46 -16.500 7.678 -12.890 358 HG3 LYS 46 3HG LYS 46 -14.912 6.895 -12.746 359 HD2 LYS 46 2HD LYS 46 -17.074 6.658 -10.621 360 HD3 LYS 46 3HD LYS 46 -16.949 5.542 -12.000 361 HE2 LYS 46 2HE LYS 46 -14.589 5.017 -11.317 362 HE3 LYS 46 3HE LYS 46 -14.796 6.032 -9.892 363 HZ1 LYS 46 3HZ LYS 46 -16.611 4.535 -9.188 364 HZ2 LYS 46 1HZ LYS 46 -16.382 3.592 -10.503 365 HZ3 LYS 46 2HZ LYS 46 -15.215 3.708 -9.369 366 HA PRO 47 HA PRO 47 -13.071 12.970 -10.055 367 HB2 PRO 47 2HB PRO 47 -13.608 15.314 -11.436 368 HB3 PRO 47 3HB PRO 47 -12.212 14.236 -11.739 369 HG2 PRO 47 2HG PRO 47 -14.876 14.285 -13.193 370 HG3 PRO 47 3HG PRO 47 -13.223 14.244 -13.898 371 HD2 PRO 47 2HD PRO 47 -14.679 11.992 -13.655 372 HD3 PRO 47 3HD PRO 47 -12.924 11.983 -13.304 373 H GLN 48 H GLN 48 -16.362 12.833 -11.207 374 HA GLN 48 HA GLN 48 -17.621 14.740 -9.519 375 HB2 GLN 48 2HB GLN 48 -18.573 13.579 -11.521 376 HB3 GLN 48 3HB GLN 48 -18.687 12.087 -10.574 377 HG2 GLN 48 2HG GLN 48 -20.277 13.186 -9.025 378 HG3 GLN 48 3HG GLN 48 -20.081 14.716 -9.885 379 HE21 GLN 48 2HE2 GLN 48 -22.608 14.191 -9.759 380 HE22 GLN 48 1HE2 GLN 48 -23.226 13.401 -11.204 381 H LEU 49 H LEU 49 -16.335 11.484 -8.728 382 HA LEU 49 HA LEU 49 -17.676 11.165 -6.189 383 HB2 LEU 49 2HB LEU 49 -14.941 10.291 -7.230 384 HB3 LEU 49 3HB LEU 49 -15.652 9.710 -5.734 385 HG LEU 49 HG LEU 49 -16.828 9.224 -8.504 386 HD11 LEU 49 1HD1 LEU 49 -15.976 6.935 -8.115 387 HD12 LEU 49 2HD1 LEU 49 -14.651 8.125 -8.086 388 HD13 LEU 49 3HD1 LEU 49 -15.276 7.465 -6.565 389 HD21 LEU 49 3HD2 LEU 49 -18.206 7.541 -7.264 390 HD22 LEU 49 1HD2 LEU 49 -17.561 8.184 -5.731 391 HD23 LEU 49 2HD2 LEU 49 -18.569 9.205 -6.782 392 H GLY 50 H GLY 50 -14.966 13.188 -7.175 393 HA2 GLY 50 2HA GLY 50 -13.288 14.259 -5.979 394 HA3 GLY 50 3HA GLY 50 -14.138 13.931 -4.466 395 H MET 51 H MET 51 -12.466 13.051 -3.392 396 HA MET 51 HA MET 51 -10.452 11.392 -4.405 397 HB2 MET 51 2HB MET 51 -11.038 11.870 -1.477 398 HB3 MET 51 3HB MET 51 -9.500 11.485 -2.248 399 HG2 MET 51 2HG MET 51 -9.934 13.757 -3.557 400 HG3 MET 51 3HG MET 51 -11.048 14.080 -2.229 401 HE1 MET 51 3HE MET 51 -7.592 12.627 -2.961 402 HE2 MET 51 1HE MET 51 -7.457 14.300 -3.521 403 HE3 MET 51 2HE MET 51 -6.480 13.745 -2.133 404 H ILE 52 H ILE 52 -9.906 9.334 -4.128 405 HA ILE 52 HA ILE 52 -11.583 7.535 -2.557 406 HB ILE 52 HB ILE 52 -11.474 5.806 -4.442 407 HG12 ILE 52 2HG1 ILE 52 -11.574 6.649 -6.756 408 HG13 ILE 52 3HG1 ILE 52 -11.019 8.236 -6.229 409 HG21 ILE 52 1HG2 ILE 52 -13.234 8.218 -4.971 410 HG22 ILE 52 2HG2 ILE 52 -13.535 6.518 -5.396 411 HG23 ILE 52 3HG2 ILE 52 -13.500 6.994 -3.693 412 HD11 ILE 52 3HD1 ILE 52 -8.823 7.342 -5.702 413 HD12 ILE 52 1HD1 ILE 52 -9.413 5.673 -5.872 414 HD13 ILE 52 2HD1 ILE 52 -9.281 6.746 -7.290 415 H ASP 53 H ASP 53 -10.570 5.358 -2.344 416 HA ASP 53 HA ASP 53 -7.590 5.541 -2.136 417 HB2 ASP 53 2HB ASP 53 -9.635 4.030 -0.508 418 HB3 ASP 53 3HB ASP 53 -7.988 3.438 -0.660 419 H ARG 54 H ARG 54 -6.934 4.974 -4.032 420 HA ARG 54 HA ARG 54 -7.892 2.693 -5.616 421 HB2 ARG 54 2HB ARG 54 -6.481 5.012 -6.192 422 HB3 ARG 54 3HB ARG 54 -5.147 3.897 -6.029 423 HG2 ARG 54 2HG ARG 54 -5.784 4.020 -8.345 424 HG3 ARG 54 3HG ARG 54 -6.212 2.410 -7.745 425 HD2 ARG 54 2HD ARG 54 -8.506 2.851 -7.850 426 HD3 ARG 54 3HD ARG 54 -8.282 4.543 -7.405 427 HE ARG 54 HE ARG 54 -7.314 4.163 -10.071 428 HH11 ARG 54 1HH2 ARG 54 -10.347 4.328 -8.321 429 HH12 ARG 54 2HH2 ARG 54 -11.127 5.278 -9.565 430 HH21 ARG 54 1HH1 ARG 54 -8.438 5.335 -11.673 431 HH22 ARG 54 2HH1 ARG 54 -10.042 5.935 -11.308 432 H TRP 55 H TRP 55 -7.136 0.549 -5.463 433 HA TRP 55 HA TRP 55 -5.109 0.039 -3.352 434 HB2 TRP 55 2HB TRP 55 -7.212 -1.777 -4.528 435 HB3 TRP 55 3HB TRP 55 -6.018 -2.258 -3.332 436 HD1 TRP 55 HD1 TRP 55 -9.358 -0.658 -3.629 437 HE1 TRP 55 HE1 TRP 55 -10.246 0.059 -1.350 438 HE3 TRP 55 HE3 TRP 55 -5.099 -1.300 -0.835 439 HZ2 TRP 55 HZ2 TRP 55 -9.190 0.573 1.291 440 HZ3 TRP 55 HZ3 TRP 55 -5.051 -0.595 1.542 441 HH2 TRP 55 HH2 TRP 55 -7.081 0.360 2.609 442 H TYR 56 H TYR 56 -3.517 -1.434 -3.488 443 HA TYR 56 HA TYR 56 -2.474 -2.438 -6.069 444 HB2 TYR 56 2HB TYR 56 -0.968 -0.774 -4.005 445 HB3 TYR 56 3HB TYR 56 -0.312 -1.411 -5.507 446 HD1 TYR 56 HD1 TYR 56 -1.011 -0.445 -7.678 447 HD2 TYR 56 HD2 TYR 56 -2.334 1.262 -3.970 448 HE1 TYR 56 HE1 TYR 56 -1.758 1.598 -8.904 449 HE2 TYR 56 HE2 TYR 56 -3.102 3.296 -5.189 450 HH TYR 56 HH TYR 56 -2.764 3.648 -8.731 451 H HIS 57 H HIS 57 -0.915 -4.075 -5.839 452 HA HIS 57 HA HIS 57 -1.012 -5.908 -3.541 453 HB2 HIS 57 2HB HIS 57 0.807 -5.817 -5.958 454 HB3 HIS 57 3HB HIS 57 0.924 -7.037 -4.722 455 HD2 HIS 57 HD2 HIS 57 -1.518 -8.471 -4.263 456 HE1 HIS 57 HE1 HIS 57 -2.547 -8.351 -8.384 457 HE2 HIS 57 HE2 HIS 57 -2.981 -9.532 -6.207 458 HA PRO 58 HA PRO 58 2.643 -4.315 -1.291 459 HB2 PRO 58 2HB PRO 58 3.486 -7.201 -1.116 460 HB3 PRO 58 3HB PRO 58 3.403 -5.965 0.182 461 HG2 PRO 58 2HG PRO 58 1.446 -7.808 -0.009 462 HG3 PRO 58 3HG PRO 58 1.007 -6.081 0.227 463 HD2 PRO 58 2HD PRO 58 1.092 -7.643 -2.377 464 HD3 PRO 58 3HD PRO 58 -0.226 -6.628 -1.721 465 H GLY 59 H GLY 59 3.183 -6.431 -4.050 466 HA2 GLY 59 2HA GLY 59 6.016 -5.634 -4.366 467 HA3 GLY 59 3HA GLY 59 5.036 -6.570 -5.500 468 H CYS 60 HN CYS 60 2.889 -4.959 -6.011 469 HA CYS 60 HA CYS 60 4.008 -3.334 -7.973 470 HB2 CYS 60 2HB CYS 60 1.130 -3.436 -7.016 471 HB3 CYS 60 3HB CYS 60 1.695 -2.899 -8.606 472 H PHE 61 H PHE 61 2.427 -2.344 -4.895 473 HA PHE 61 HA PHE 61 2.305 0.419 -5.554 474 HB2 PHE 61 2HB PHE 61 1.536 0.733 -3.490 475 HB3 PHE 61 3HB PHE 61 1.399 -1.018 -3.485 476 HD1 PHE 61 HD1 PHE 61 3.209 -2.388 -2.429 477 HD2 PHE 61 HD2 PHE 61 3.125 1.885 -2.120 478 HE1 PHE 61 HE1 PHE 61 4.658 -2.527 -0.393 479 HE2 PHE 61 HE2 PHE 61 4.581 1.773 -0.079 480 HZ PHE 61 HZ PHE 61 5.334 -0.435 0.784 481 H VAL 62 H VAL 62 5.017 -1.505 -4.287 482 HA VAL 62 HA VAL 62 6.902 0.693 -4.160 483 HB VAL 62 HB VAL 62 7.536 -2.252 -4.529 484 HG11 VAL 62 1HG1 VAL 62 9.478 -0.807 -4.968 485 HG12 VAL 62 2HG1 VAL 62 9.192 0.070 -3.447 486 HG13 VAL 62 3HG1 VAL 62 9.674 -1.637 -3.426 487 HG21 VAL 62 3HG2 VAL 62 7.864 -2.179 -2.021 488 HG22 VAL 62 1HG2 VAL 62 7.057 -0.599 -2.015 489 HG23 VAL 62 2HG2 VAL 62 6.199 -2.063 -2.549 490 H LYS 63 H LYS 63 6.056 -1.616 -6.764 491 HA LYS 63 HA LYS 63 8.037 -0.820 -8.634 492 HB2 LYS 63 2HB LYS 63 6.659 -2.859 -8.830 493 HB3 LYS 63 3HB LYS 63 5.216 -1.872 -9.071 494 HG2 LYS 63 2HG LYS 63 6.116 -1.011 -11.204 495 HG3 LYS 63 3HG LYS 63 7.570 -1.988 -10.972 496 HD2 LYS 63 2HD LYS 63 6.022 -3.081 -12.521 497 HD3 LYS 63 3HD LYS 63 6.247 -4.045 -11.071 498 HE2 LYS 63 2HE LYS 63 3.929 -4.107 -11.788 499 HE3 LYS 63 3HE LYS 63 4.047 -3.355 -10.201 500 HZ1 LYS 63 3HZ LYS 63 3.625 -1.223 -11.166 501 HZ2 LYS 63 1HZ LYS 63 3.879 -1.763 -12.707 502 HZ3 LYS 63 2HZ LYS 63 2.557 -2.211 -11.865 503 H ASN 64 H ASN 64 4.811 0.603 -8.050 504 HA ASN 64 HA ASN 64 5.448 2.813 -9.940 505 HB2 ASN 64 2HB ASN 64 2.817 3.206 -9.459 506 HB3 ASN 64 3HB ASN 64 3.513 2.358 -10.813 507 HD21 ASN 64 1HD2 ASN 64 1.894 1.833 -7.644 508 HD22 ASN 64 2HD2 ASN 64 1.363 0.229 -8.139 509 H ARG 65 H ARG 65 6.260 2.424 -6.893 510 HA ARG 65 HA ARG 65 5.133 4.365 -5.319 511 HB2 ARG 65 2HB ARG 65 7.166 4.368 -4.059 512 HB3 ARG 65 3HB ARG 65 6.983 2.768 -4.736 513 HG2 ARG 65 2HG ARG 65 8.553 3.518 -6.634 514 HG3 ARG 65 3HG ARG 65 8.850 4.985 -5.683 515 HD2 ARG 65 2HD ARG 65 9.732 3.710 -3.855 516 HD3 ARG 65 3HD ARG 65 9.334 2.173 -4.642 517 HE ARG 65 HE ARG 65 11.628 3.898 -5.149 518 HH11 ARG 65 1HH2 ARG 65 9.649 1.423 -6.699 519 HH12 ARG 65 2HH2 ARG 65 10.947 0.974 -7.776 520 HH21 ARG 65 1HH1 ARG 65 13.198 3.263 -6.571 521 HH22 ARG 65 2HH1 ARG 65 12.882 1.990 -7.710 522 H GLU 66 H GLU 66 7.465 4.974 -7.888 523 HA GLU 66 HA GLU 66 7.742 7.787 -7.277 524 HB2 GLU 66 2HB GLU 66 9.174 7.832 -9.278 525 HB3 GLU 66 3HB GLU 66 9.618 6.578 -8.113 526 HG2 GLU 66 2HG GLU 66 8.582 4.842 -9.490 527 HG3 GLU 66 3HG GLU 66 7.987 6.051 -10.634 528 H GLU 67 H GLU 67 5.555 5.951 -9.239 529 HA GLU 67 HA GLU 67 4.448 8.279 -10.657 530 HB2 GLU 67 2HB GLU 67 4.535 6.053 -11.724 531 HB3 GLU 67 3HB GLU 67 3.447 5.417 -10.483 532 HG2 GLU 67 2HG GLU 67 1.670 6.942 -11.199 533 HG3 GLU 67 3HG GLU 67 2.765 7.741 -12.332 534 H LEU 68 H LEU 68 3.650 6.144 -7.872 535 HA LEU 68 HA LEU 68 1.256 7.536 -7.086 536 HB2 LEU 68 2HB LEU 68 3.212 5.903 -5.425 537 HB3 LEU 68 3HB LEU 68 1.606 6.390 -4.908 538 HG LEU 68 HG LEU 68 2.235 4.468 -7.188 539 HD11 LEU 68 1HD1 LEU 68 2.661 3.521 -4.970 540 HD12 LEU 68 2HD1 LEU 68 1.044 4.021 -4.426 541 HD13 LEU 68 3HD1 LEU 68 1.215 2.788 -5.687 542 HD21 LEU 68 3HD2 LEU 68 -0.482 5.176 -6.052 543 HD22 LEU 68 1HD2 LEU 68 0.132 5.704 -7.641 544 HD23 LEU 68 2HD2 LEU 68 -0.114 3.992 -7.316 545 H GLY 69 H GLY 69 4.682 8.174 -6.345 546 HA2 GLY 69 2HA GLY 69 5.267 10.544 -6.207 547 HA3 GLY 69 3HA GLY 69 3.844 10.839 -5.218 548 H PHE 70 H PHE 70 5.714 7.983 -4.459 549 HA PHE 70 HA PHE 70 6.422 8.829 -1.801 550 HB2 PHE 70 2HB PHE 70 7.302 6.565 -3.612 551 HB3 PHE 70 3HB PHE 70 8.024 6.808 -2.045 552 HD1 PHE 70 HD2 PHE 70 4.736 6.041 -3.687 553 HD2 PHE 70 HD1 PHE 70 7.029 6.118 -0.058 554 HE1 PHE 70 HE2 PHE 70 3.025 4.622 -2.581 555 HE2 PHE 70 HE1 PHE 70 5.326 4.698 1.064 556 HZ PHE 70 HZ PHE 70 3.323 3.938 -0.214 557 H ARG 71 H ARG 71 8.284 9.619 -0.947 558 HA ARG 71 HA ARG 71 10.803 9.467 -2.425 559 HB2 ARG 71 2HB ARG 71 9.778 12.034 -1.098 560 HB3 ARG 71 3HB ARG 71 11.476 11.709 -1.368 561 HG2 ARG 71 2HG ARG 71 11.079 12.929 -3.224 562 HG3 ARG 71 3HG ARG 71 10.786 11.321 -3.882 563 HD2 ARG 71 2HD ARG 71 8.299 11.720 -3.508 564 HD3 ARG 71 3HD ARG 71 8.701 13.319 -2.906 565 HE ARG 71 HE ARG 71 9.097 14.075 -5.054 566 HH11 ARG 71 1HH2 ARG 71 8.782 10.565 -5.297 567 HH12 ARG 71 2HH2 ARG 71 8.594 10.650 -7.031 568 HH21 ARG 71 1HH1 ARG 71 8.872 14.055 -7.245 569 HH22 ARG 71 2HH1 ARG 71 8.652 12.554 -8.092 570 HA PRO 72 HA PRO 72 12.262 7.638 1.319 571 HB2 PRO 72 2HB PRO 72 14.426 9.740 1.401 572 HB3 PRO 72 3HB PRO 72 14.567 7.967 1.626 573 HG2 PRO 72 2HG PRO 72 15.228 9.060 -0.757 574 HG3 PRO 72 3HG PRO 72 14.220 7.574 -0.723 575 HD2 PRO 72 2HD PRO 72 13.323 10.447 -1.089 576 HD3 PRO 72 3HD PRO 72 12.827 8.986 -1.993 577 H GLU 73 H GLU 73 11.853 11.143 1.447 578 HA GLU 73 HA GLU 73 12.006 11.512 4.235 579 HB2 GLU 73 2HB GLU 73 10.048 12.984 2.425 580 HB3 GLU 73 3HB GLU 73 10.912 13.617 3.823 581 HG2 GLU 73 2HG GLU 73 12.060 12.933 1.080 582 HG3 GLU 73 3HG GLU 73 11.787 14.536 1.735 583 H TYR 74 H TYR 74 9.508 9.925 2.427 584 HA TYR 74 HA TYR 74 7.953 9.367 4.829 585 HB2 TYR 74 2HB TYR 74 5.810 10.173 3.602 586 HB3 TYR 74 3HB TYR 74 6.806 11.282 4.491 587 HD1 TYR 74 HD1 TYR 74 6.989 10.018 0.912 588 HD2 TYR 74 HD2 TYR 74 6.799 13.386 3.602 589 HE1 TYR 74 HE1 TYR 74 7.078 11.580 -1.030 590 HE2 TYR 74 HE2 TYR 74 6.893 14.938 1.659 591 HH TYR 74 HH TYR 74 6.939 13.764 -1.719 592 H SER 75 H SER 75 9.280 7.454 3.834 593 HA SER 75 HA SER 75 8.027 5.950 1.720 594 HB2 SER 75 2HB SER 75 10.069 5.157 3.797 595 HB3 SER 75 3HB SER 75 9.572 4.176 2.403 596 HG SER 75 HG SER 75 11.396 5.354 1.849 597 H ALA 76 H ALA 76 7.858 3.353 2.642 598 HA ALA 76 HA ALA 76 5.170 3.147 3.202 599 HB1 ALA 76 1HB ALA 76 7.353 1.101 3.793 600 HB2 ALA 76 2HB ALA 76 5.634 0.771 3.500 601 HB3 ALA 76 3HB ALA 76 6.638 1.413 2.193 602 H SER 77 H SER 77 7.572 3.723 5.667 603 HA SER 77 HA SER 77 6.172 2.684 7.939 604 HB2 SER 77 2HB SER 77 7.661 4.314 9.161 605 HB3 SER 77 3HB SER 77 8.526 3.213 8.069 606 HG SER 77 HG SER 77 9.201 5.418 7.856 607 H GLN 78 H GLN 78 5.551 5.437 5.895 608 HA GLN 78 HA GLN 78 3.691 6.577 7.873 609 HB2 GLN 78 2HB GLN 78 4.977 7.940 5.489 610 HB3 GLN 78 3HB GLN 78 3.899 8.666 6.685 611 HG2 GLN 78 2HG GLN 78 5.664 7.813 8.451 612 HG3 GLN 78 3HG GLN 78 6.752 7.727 7.064 613 HE21 GLN 78 2HE2 GLN 78 4.605 9.932 8.910 614 HE22 GLN 78 1HE2 GLN 78 5.507 11.397 8.497 615 H LEU 79 H LEU 79 3.070 4.245 6.123 616 HA LEU 79 HA LEU 79 0.773 5.211 4.538 617 HB2 LEU 79 2HB LEU 79 1.751 2.457 5.405 618 HB3 LEU 79 3HB LEU 79 0.253 2.697 4.529 619 HG LEU 79 HG LEU 79 2.776 3.775 3.301 620 HD11 LEU 79 1HD1 LEU 79 1.987 0.846 2.988 621 HD12 LEU 79 2HD1 LEU 79 3.349 1.685 2.242 622 HD13 LEU 79 3HD1 LEU 79 3.325 1.382 3.988 623 HD21 LEU 79 3HD2 LEU 79 0.380 3.946 2.367 624 HD22 LEU 79 1HD2 LEU 79 1.660 3.412 1.263 625 HD23 LEU 79 2HD2 LEU 79 0.536 2.241 1.964 626 H LYS 80 H LYS 80 -1.352 5.195 5.168 627 HA LYS 80 HA LYS 80 -2.088 5.552 7.871 628 HB2 LYS 80 2HB LYS 80 -3.949 4.548 5.663 629 HB3 LYS 80 3HB LYS 80 -4.432 5.234 7.195 630 HG2 LYS 80 2HG LYS 80 -3.540 7.387 6.614 631 HG3 LYS 80 3HG LYS 80 -2.880 6.770 5.084 632 HD2 LYS 80 2HD LYS 80 -5.827 6.415 5.566 633 HD3 LYS 80 3HD LYS 80 -5.267 8.066 5.307 634 HE2 LYS 80 2HE LYS 80 -4.465 7.638 3.131 635 HE3 LYS 80 3HE LYS 80 -4.415 5.903 3.384 636 HZ1 LYS 80 3HZ LYS 80 -6.904 5.965 3.498 637 HZ2 LYS 80 1HZ LYS 80 -6.879 7.538 3.073 638 HZ3 LYS 80 2HZ LYS 80 -6.348 6.379 2.038 639 H GLY 81 H GLY 81 -2.279 4.194 9.533 640 HA2 GLY 81 2HA GLY 81 -2.757 2.299 10.767 641 HA3 GLY 81 3HA GLY 81 -3.414 1.537 9.320 642 H PHE 82 H PHE 82 -0.114 2.520 8.802 643 HA PHE 82 HA PHE 82 0.894 -0.066 8.358 644 HB2 PHE 82 2HB PHE 82 2.043 1.793 7.461 645 HB3 PHE 82 3HB PHE 82 2.129 2.623 9.005 646 HD1 PHE 82 HD2 PHE 82 3.686 -0.025 6.918 647 HD2 PHE 82 HD1 PHE 82 3.812 2.147 10.635 648 HE1 PHE 82 HE2 PHE 82 5.975 -0.887 7.348 649 HE2 PHE 82 HE1 PHE 82 6.097 1.257 11.081 650 HZ PHE 82 HZ PHE 82 7.170 -0.273 9.433 651 H SER 83 H SER 83 1.173 1.934 11.324 652 HA SER 83 HA SER 83 2.713 0.211 12.880 653 HB2 SER 83 2HB SER 83 0.502 2.117 13.743 654 HB3 SER 83 3HB SER 83 1.787 1.478 14.797 655 HG SER 83 HG SER 83 2.343 3.534 13.982 656 H LEU 84 H LEU 84 -0.622 -0.240 12.002 657 HA LEU 84 HA LEU 84 -1.259 -2.018 14.275 658 HB2 LEU 84 2HB LEU 84 -2.962 -1.135 11.916 659 HB3 LEU 84 3HB LEU 84 -3.522 -1.969 13.359 660 HG LEU 84 HG LEU 84 -2.410 0.873 13.267 661 HD11 LEU 84 1HD1 LEU 84 -5.232 -0.168 13.736 662 HD12 LEU 84 2HD1 LEU 84 -4.712 1.533 13.777 663 HD13 LEU 84 3HD1 LEU 84 -4.644 0.625 12.257 664 HD21 LEU 84 3HD2 LEU 84 -3.581 -0.711 15.598 665 HD22 LEU 84 1HD2 LEU 84 -1.898 -0.150 15.446 666 HD23 LEU 84 2HD2 LEU 84 -3.205 1.027 15.614 667 H LEU 85 H LEU 85 0.183 -2.432 11.218 668 HA LEU 85 HA LEU 85 -0.877 -5.076 10.603 669 HB2 LEU 85 2HB LEU 85 1.455 -3.414 9.649 670 HB3 LEU 85 3HB LEU 85 1.436 -5.129 9.311 671 HG LEU 85 HG LEU 85 -0.660 -4.954 8.088 672 HD11 LEU 85 1HD1 LEU 85 -0.494 -1.975 8.664 673 HD12 LEU 85 2HD1 LEU 85 -1.557 -2.721 7.458 674 HD13 LEU 85 3HD1 LEU 85 -1.790 -3.082 9.170 675 HD21 LEU 85 3HD2 LEU 85 0.192 -3.702 6.165 676 HD22 LEU 85 1HD2 LEU 85 1.377 -2.875 7.203 677 HD23 LEU 85 2HD2 LEU 85 1.495 -4.626 6.923 678 H ALA 86 H ALA 86 0.622 -7.024 10.554 679 HA ALA 86 HA ALA 86 1.711 -7.606 13.183 680 HB1 ALA 86 1HB ALA 86 2.343 -9.740 12.161 681 HB2 ALA 86 2HB ALA 86 0.675 -9.325 11.712 682 HB3 ALA 86 3HB ALA 86 1.995 -9.101 10.542 683 H THR 87 H THR 87 3.901 -7.852 13.767 684 HA THR 87 HA THR 87 5.678 -5.880 12.984 685 HB THR 87 HB THR 87 6.499 -8.577 14.098 686 HG1 THR 87 1HG THR 87 5.992 -7.682 16.110 687 HG21 THR 87 1HG2 THR 87 8.406 -7.067 13.636 688 HG22 THR 87 2HG2 THR 87 7.603 -5.757 14.532 689 HG23 THR 87 3HG2 THR 87 8.156 -7.221 15.380 690 H GLU 88 H GLU 88 5.581 -9.241 11.731 691 HA GLU 88 HA GLU 88 7.968 -9.026 10.160 692 HB2 GLU 88 2HB GLU 88 7.248 -11.067 9.093 693 HB3 GLU 88 3HB GLU 88 7.014 -11.159 10.837 694 HG2 GLU 88 2HG GLU 88 4.565 -10.646 10.488 695 HG3 GLU 88 3HG GLU 88 4.842 -10.701 8.745 696 H ASP 89 H ASP 89 4.625 -8.037 9.432 697 HA ASP 89 HA ASP 89 5.264 -7.488 6.604 698 HB2 ASP 89 2HB ASP 89 2.816 -6.892 8.293 699 HB3 ASP 89 3HB ASP 89 2.990 -6.471 6.590 700 H LYS 90 H LYS 90 4.936 -5.636 9.639 701 HA LYS 90 HA LYS 90 5.377 -3.011 8.548 702 HB2 LYS 90 2HB LYS 90 5.967 -4.238 11.276 703 HB3 LYS 90 3HB LYS 90 6.241 -2.525 10.910 704 HG2 LYS 90 2HG LYS 90 3.960 -2.112 10.462 705 HG3 LYS 90 3HG LYS 90 3.556 -3.830 10.405 706 HD2 LYS 90 2HD LYS 90 2.713 -2.834 12.433 707 HD3 LYS 90 3HD LYS 90 3.913 -4.082 12.787 708 HE2 LYS 90 2HE LYS 90 5.608 -2.351 13.243 709 HE3 LYS 90 3HE LYS 90 4.458 -1.084 12.789 710 HZ1 LYS 90 3HZ LYS 90 3.027 -1.843 14.647 711 HZ2 LYS 90 1HZ LYS 90 4.140 -2.959 15.080 712 HZ3 LYS 90 2HZ LYS 90 4.499 -1.372 15.200 713 H GLU 91 H GLU 91 7.699 -5.487 9.657 714 HA GLU 91 HA GLU 91 10.060 -3.982 8.911 715 HB2 GLU 91 2HB GLU 91 9.531 -6.950 9.301 716 HB3 GLU 91 3HB GLU 91 11.116 -6.306 8.887 717 HG2 GLU 91 2HG GLU 91 9.538 -5.498 11.367 718 HG3 GLU 91 3HG GLU 91 10.788 -6.737 11.329 719 H ALA 92 H ALA 92 8.191 -6.520 7.115 720 HA ALA 92 HA ALA 92 9.864 -6.550 4.859 721 HB1 ALA 92 1HB ALA 92 6.880 -7.085 5.025 722 HB2 ALA 92 2HB ALA 92 7.963 -7.595 3.713 723 HB3 ALA 92 3HB ALA 92 8.187 -8.255 5.344 724 H LEU 93 H LEU 93 7.022 -4.389 5.419 725 HA LEU 93 HA LEU 93 7.027 -3.233 2.799 726 HB2 LEU 93 2HB LEU 93 6.026 -2.300 5.513 727 HB3 LEU 93 3HB LEU 93 5.785 -1.356 4.049 728 HG LEU 93 HG LEU 93 4.747 -4.200 4.391 729 HD11 LEU 93 1HD1 LEU 93 3.316 -1.517 4.645 730 HD12 LEU 93 2HD1 LEU 93 2.553 -3.122 4.707 731 HD13 LEU 93 3HD1 LEU 93 3.686 -2.638 5.977 732 HD21 LEU 93 3HD2 LEU 93 4.128 -2.057 2.317 733 HD22 LEU 93 1HD2 LEU 93 5.033 -3.563 2.027 734 HD23 LEU 93 2HD2 LEU 93 3.326 -3.636 2.461 735 H LYS 94 H LYS 94 8.730 -2.238 5.800 736 HA LYS 94 HA LYS 94 10.072 0.036 4.588 737 HB2 LYS 94 2HB LYS 94 10.794 -1.702 6.976 738 HB3 LYS 94 3HB LYS 94 11.642 -0.221 6.526 739 HG2 LYS 94 2HG LYS 94 9.586 1.105 6.856 740 HG3 LYS 94 3HG LYS 94 8.697 -0.348 7.320 741 HD2 LYS 94 2HD LYS 94 11.109 0.818 8.786 742 HD3 LYS 94 3HD LYS 94 9.419 0.957 9.295 743 HE2 LYS 94 2HE LYS 94 9.267 -1.509 9.522 744 HE3 LYS 94 3HE LYS 94 10.936 -1.673 8.977 745 HZ1 LYS 94 3HZ LYS 94 10.080 -0.381 11.501 746 HZ2 LYS 94 1HZ LYS 94 10.886 -1.808 11.316 747 HZ3 LYS 94 2HZ LYS 94 11.626 -0.399 10.948 748 H LYS 95 H LYS 95 10.955 -3.401 5.007 749 HA LYS 95 HA LYS 95 13.583 -3.137 3.923 750 HB2 LYS 95 2HB LYS 95 11.758 -5.528 4.271 751 HB3 LYS 95 3HB LYS 95 13.367 -5.683 3.560 752 HG2 LYS 95 2HG LYS 95 14.444 -4.789 5.532 753 HG3 LYS 95 3HG LYS 95 12.896 -4.398 6.284 754 HD2 LYS 95 2HD LYS 95 12.314 -6.821 6.346 755 HD3 LYS 95 3HD LYS 95 13.893 -7.202 5.620 756 HE2 LYS 95 2HE LYS 95 15.019 -6.072 7.550 757 HE3 LYS 95 3HE LYS 95 13.439 -5.756 8.275 758 HZ1 LYS 95 3HZ LYS 95 14.580 -8.450 7.749 759 HZ2 LYS 95 1HZ LYS 95 14.433 -7.746 9.213 760 HZ3 LYS 95 2HZ LYS 95 13.098 -8.184 8.383 761 H GLN 96 H GLN 96 10.552 -3.378 2.228 762 HA GLN 96 HA GLN 96 11.848 -3.723 -0.420 763 HB2 GLN 96 2HB GLN 96 8.973 -3.164 0.414 764 HB3 GLN 96 3HB GLN 96 9.549 -3.329 -1.249 765 HG2 GLN 96 2HG GLN 96 10.128 -5.658 -0.912 766 HG3 GLN 96 3HG GLN 96 9.715 -5.564 0.805 767 HE21 GLN 96 2HE2 GLN 96 8.260 -4.987 -2.461 768 HE22 GLN 96 1HE2 GLN 96 6.612 -5.261 -1.920 769 H LEU 97 H LEU 97 10.201 -1.186 1.509 770 HA LEU 97 HA LEU 97 11.363 0.932 -0.223 771 HB2 LEU 97 2HB LEU 97 9.150 0.361 -1.030 772 HB3 LEU 97 3HB LEU 97 8.446 0.577 0.568 773 HG LEU 97 HG LEU 97 8.717 2.956 0.484 774 HD11 LEU 97 1HD1 LEU 97 10.447 2.506 -1.980 775 HD12 LEU 97 2HD1 LEU 97 9.821 4.098 -1.459 776 HD13 LEU 97 3HD1 LEU 97 10.948 3.217 -0.430 777 HD21 LEU 97 3HD2 LEU 97 7.932 1.967 -2.288 778 HD22 LEU 97 1HD2 LEU 97 6.880 2.005 -0.861 779 HD23 LEU 97 2HD2 LEU 97 7.476 3.520 -1.559 780 HA PRO 98 HA PRO 98 11.875 2.036 4.189 781 HB2 PRO 98 2HB PRO 98 14.632 2.238 4.256 782 HB3 PRO 98 3HB PRO 98 13.707 0.736 4.513 783 HG2 PRO 98 2HG PRO 98 15.357 1.495 2.175 784 HG3 PRO 98 3HG PRO 98 14.723 -0.110 2.661 785 HD2 PRO 98 2HD PRO 98 13.659 1.758 0.682 786 HD3 PRO 98 3HD PRO 98 13.168 0.082 1.044 787 H GLY 99 H GLY 99 12.593 4.138 5.195 788 HA2 GLY 99 2HA GLY 99 13.478 6.271 3.336 789 HA3 GLY 99 3HA GLY 99 11.957 6.454 4.204 790 H VAL 100 H VAL 100 13.396 8.330 4.584 791 HA VAL 100 HA VAL 100 14.468 9.794 5.854 792 HB VAL 100 HB VAL 100 13.420 7.955 8.006 793 HG11 VAL 100 1HG1 VAL 100 14.351 10.850 8.249 794 HG12 VAL 100 2HG1 VAL 100 13.398 9.968 9.462 795 HG13 VAL 100 3HG1 VAL 100 15.027 9.423 9.091 796 HG21 VAL 100 3HG2 VAL 100 12.320 10.479 6.683 797 HG22 VAL 100 1HG2 VAL 100 11.728 8.835 6.408 798 HG23 VAL 100 2HG2 VAL 100 11.542 9.575 8.003 799 H LYS 101 H LYS 101 16.298 10.540 6.825 800 HA LYS 101 HA LYS 101 18.663 8.971 6.296 801 HB2 LYS 101 2HB LYS 101 18.264 11.668 7.680 802 HB3 LYS 101 3HB LYS 101 19.832 10.917 7.437 803 HG2 LYS 101 2HG LYS 101 19.669 12.446 5.724 804 HG3 LYS 101 3HG LYS 101 19.410 10.882 4.955 805 HD2 LYS 101 2HD LYS 101 16.982 11.332 4.797 806 HD3 LYS 101 3HD LYS 101 17.187 12.832 5.737 807 HE2 LYS 101 2HE LYS 101 18.748 13.652 3.929 808 HE3 LYS 101 3HE LYS 101 18.351 12.212 2.984 809 HZ1 LYS 101 3HZ LYS 101 16.008 12.971 2.944 810 HZ2 LYS 101 1HZ LYS 101 16.375 14.262 3.858 811 HZ3 LYS 101 2HZ LYS 101 16.985 14.131 2.353 812 H SER 102 H SER 102 17.050 9.881 9.304 813 HA SER 102 HA SER 102 17.346 9.349 11.486 814 HB2 SER 102 2HB SER 102 17.901 6.626 10.286 815 HB3 SER 102 3HB SER 102 17.434 6.944 11.972 816 HG SER 102 HG SER 102 15.634 6.405 10.655 817 H GLU 103 H GLU 103 19.725 10.452 10.322 818 HA GLU 103 HA GLU 103 21.700 9.771 12.388 819 HB2 GLU 103 2HB GLU 103 22.173 8.095 10.639 820 HB3 GLU 103 3HB GLU 103 22.313 9.367 9.423 821 HG2 GLU 103 2HG GLU 103 24.287 10.274 10.530 822 HG3 GLU 103 3HG GLU 103 24.093 9.161 11.889 823 H GLY 104 H GLY 104 21.425 11.533 9.240 824 HA2 GLY 104 2HA GLY 104 21.406 13.784 8.801 825 HA3 GLY 104 3HA GLY 104 21.219 14.067 10.533 826 H LYS 105 H LYS 105 24.102 12.354 9.579 827 HA LYS 105 HA LYS 105 25.703 14.536 10.747 828 HB2 LYS 105 2HB LYS 105 26.365 11.658 10.006 829 HB3 LYS 105 3HB LYS 105 27.550 12.800 10.641 830 HG2 LYS 105 2HG LYS 105 26.043 13.200 12.624 831 HG3 LYS 105 3HG LYS 105 25.010 11.884 12.049 832 HD2 LYS 105 2HD LYS 105 27.025 10.356 12.135 833 HD3 LYS 105 3HD LYS 105 27.936 11.675 12.879 834 HE2 LYS 105 2HE LYS 105 25.484 10.250 14.003 835 HE3 LYS 105 3HE LYS 105 27.147 10.136 14.584 836 HZ1 LYS 105 3HZ LYS 105 25.377 12.506 14.760 837 HZ2 LYS 105 1HZ LYS 105 26.005 11.652 15.999 838 HZ3 LYS 105 2HZ LYS 105 26.970 12.603 15.071 839 H ARG 106 H ARG 106 24.808 13.893 7.623 840 HA ARG 106 HA ARG 106 27.185 14.650 6.220 841 HB2 ARG 106 2HB ARG 106 25.232 13.509 5.218 842 HB3 ARG 106 3HB ARG 106 24.267 14.975 5.370 843 HG2 ARG 106 2HG ARG 106 26.907 15.059 3.877 844 HG3 ARG 106 3HG ARG 106 25.519 14.297 3.110 845 HD2 ARG 106 2HD ARG 106 24.215 16.290 3.151 846 HD3 ARG 106 3HD ARG 106 25.347 17.143 4.182 847 HE ARG 106 HE ARG 106 25.552 16.710 1.299 848 HH11 ARG 106 1HH2 ARG 106 27.469 17.571 4.140 849 HH12 ARG 106 2HH2 ARG 106 28.682 18.351 3.160 850 HH21 ARG 106 1HH1 ARG 106 27.153 17.716 0.153 851 HH22 ARG 106 2HH1 ARG 106 28.509 18.425 0.980 852 H LYS 107 H LYS 107 24.843 16.503 7.972 853 HA LYS 107 HA LYS 107 26.132 19.104 7.235 854 HB2 LYS 107 2HB LYS 107 23.493 18.509 8.643 855 HB3 LYS 107 3HB LYS 107 24.175 20.124 8.402 856 HG2 LYS 107 2HG LYS 107 24.131 19.774 5.933 857 HG3 LYS 107 3HG LYS 107 23.367 18.194 6.181 858 HD2 LYS 107 2HD LYS 107 21.449 19.288 7.310 859 HD3 LYS 107 3HD LYS 107 22.212 20.876 7.063 860 HE2 LYS 107 2HE LYS 107 22.169 20.505 4.602 861 HE3 LYS 107 3HE LYS 107 21.393 18.936 4.852 862 HZ1 LYS 107 3HZ LYS 107 20.224 21.558 5.628 863 HZ2 LYS 107 1HZ LYS 107 19.759 20.660 4.348 864 HZ3 LYS 107 2HZ LYS 107 19.505 20.107 5.861 865 H GLY 108 H GLY 108 26.563 20.595 9.024 866 HA2 GLY 108 2HA GLY 108 27.543 21.153 11.039 867 HA3 GLY 108 3HA GLY 108 26.922 19.657 11.735 868 H ASP 109 H ASP 109 28.886 19.255 8.927 869 HA ASP 109 HA ASP 109 30.838 18.217 8.532 870 HB2 ASP 109 2HB ASP 109 31.899 20.019 10.727 871 HB3 ASP 109 3HB ASP 109 32.847 19.238 9.466 872 H GLU 110 H GLU 110 29.148 16.756 10.411 873 HA GLU 110 HA GLU 110 31.097 15.292 12.051 874 HB2 GLU 110 2HB GLU 110 28.123 14.928 11.575 875 HB3 GLU 110 3HB GLU 110 29.102 13.800 12.522 876 HG2 GLU 110 2HG GLU 110 29.802 15.713 13.996 877 HG3 GLU 110 3HG GLU 110 28.670 16.751 13.122 878 H VAL 111 H VAL 111 30.056 15.084 8.813 879 HA VAL 111 HA VAL 111 30.886 12.297 8.428 880 HB VAL 111 HB VAL 111 28.972 13.338 7.240 881 HG11 VAL 111 1HG1 VAL 111 29.361 14.760 5.269 882 HG12 VAL 111 2HG1 VAL 111 29.895 15.566 6.750 883 HG13 VAL 111 3HG1 VAL 111 31.089 14.844 5.649 884 HG21 VAL 111 3HG2 VAL 111 29.257 12.278 5.142 885 HG22 VAL 111 1HG2 VAL 111 31.022 12.313 5.267 886 HG23 VAL 111 2HG2 VAL 111 30.069 11.292 6.370 887 H ASP 112 H ASP 112 32.607 15.046 8.868 888 HA ASP 112 HA ASP 112 34.628 14.910 6.801 889 HB2 ASP 112 2HB ASP 112 34.011 16.983 7.983 890 HB3 ASP 112 3HB ASP 112 34.638 16.319 9.489
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